1069 lines
52 KiB
Plaintext
1069 lines
52 KiB
Plaintext
#
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# Numerical data on adsorption free energies
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# material: id for material surface
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# adsorbate: id for the adsorbate (biomolecule)
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# DG_lower: lower estimate for the free energy
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# DG_upper: upper estimate for free energy
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# DG : average estimate for free energy (used in ML analysis)
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#
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# The columns are space-delimited
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#
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#material adsorbate DG_lower DG_upper DG funct.
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C_amorph-1 ALA -2.1835 -1.9863 -2.0836
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C_amorph-1 ARG -22.5291 -21.5718 -22.0466
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C_amorph-1 ASN -10.8124 -10.4200 -10.6146
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C_amorph-1 ASP -4.2465 -3.9476 -4.0966
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C_amorph-1 CHL -4.5994 -4.3243 -4.4610
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C_amorph-1 CYM -2.8287 -2.5735 -2.6997
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C_amorph-1 CYS -6.1316 -5.8299 -5.9798
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C_amorph-1 DGL -25.5372 -24.5379 -25.0362
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C_amorph-1 EST -17.2794 -16.8550 -17.0668
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C_amorph-1 ETA -0.6281 -0.4635 -0.5452
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C_amorph-1 GAN -16.0298 -15.2882 -15.6558
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C_amorph-1 GLN -13.8889 -13.5000 -13.6932
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C_amorph-1 GLU -7.7230 -7.2845 -7.5019
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C_amorph-1 GLY -13.2036 -12.7374 -12.9696
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C_amorph-1 HID -20.0403 -19.4351 -19.7367
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C_amorph-1 HIE -20.3924 -19.5974 -19.9931
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C_amorph-1 HIP -18.0656 -17.5809 -17.8224
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C_amorph-1 ILE -14.4960 -13.9944 -14.2441
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C_amorph-1 LEU -13.6614 -13.0390 -13.3479
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C_amorph-1 LYS -10.9810 -10.5072 -10.7439
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C_amorph-1 MET -15.5581 -14.8055 -15.1806
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C_amorph-1 PHE -24.5112 -23.6329 -24.0710
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C_amorph-1 PHO -11.7569 -11.0300 -11.3926
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C_amorph-1 PRO -23.2373 -22.4586 -22.8479
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C_amorph-1 SER -4.4097 -4.0273 -4.2162
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C_amorph-1 THR -7.7089 -7.4461 -7.5764
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C_amorph-1 TRP -33.3927 -32.3932 -32.8921
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C_amorph-1 TYR -28.9441 -27.9029 -28.4224
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C_amorph-1 VAL -9.6236 -9.1263 -9.3743
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C_amorph-1 PRP -8.1571 -7.7740 -7.9639
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C_amorph-1 BUT1 -11.8395 -11.3509 -11.5933
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C_amorph-1 BUT2 -12.1370 -11.7013 -11.9170
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C_amorph-2 ALA -2.5524 -2.3086 -2.4290
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C_amorph-2 ARG -22.8600 -22.0010 -22.4293
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C_amorph-2 ASN -11.9272 -11.4317 -11.6779
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C_amorph-2 ASP -5.2423 -4.9063 -5.0739
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C_amorph-2 CHL -4.9830 -4.6571 -4.8184
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C_amorph-2 CYM -2.9842 -2.7321 -2.8575
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C_amorph-2 CYS -6.6503 -6.3641 -6.5066
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C_amorph-2 DGL -26.2511 -25.3824 -25.8152
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C_amorph-2 EST -17.3240 -16.9691 -17.1464
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C_amorph-2 ETA -0.7633 -0.6319 -0.6970
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C_amorph-2 GAN -16.8092 -16.0457 -16.4256
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C_amorph-2 GLN -15.2928 -14.7355 -15.0128
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C_amorph-2 GLU -9.6753 -9.1837 -9.4290
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C_amorph-2 GLY -13.7847 -13.1593 -13.4698
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C_amorph-2 HID -20.3783 -19.7182 -20.0477
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C_amorph-2 HIE -20.4852 -19.7064 -20.0939
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C_amorph-2 HIP -18.2847 -17.9160 -18.1000
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C_amorph-2 ILE -15.0762 -14.5264 -14.8004
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C_amorph-2 LEU -15.9150 -15.5019 -15.7073
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C_amorph-2 LYS -11.9272 -11.2250 -11.5741
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C_amorph-2 MET -15.4598 -14.9860 -15.2228
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C_amorph-2 PHE -23.0018 -22.1898 -22.5946
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C_amorph-2 PHO -12.6440 -11.8888 -12.2632
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C_amorph-2 PRO -24.1235 -23.5705 -23.8455
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C_amorph-2 SER -4.6389 -4.3343 -4.4852
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C_amorph-2 THR -8.5164 -8.0878 -8.3013
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C_amorph-2 TRP -34.1907 -32.9195 -33.5545
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C_amorph-2 TYR -29.1591 -28.1036 -28.6305
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C_amorph-2 VAL -10.5855 -10.0923 -10.3364
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C_amorph-2 PRP -8.7266 -8.4202 -8.5724
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C_amorph-2 BUT1 -12.1932 -11.5802 -11.8840
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C_amorph-2 BUT2 -13.0009 -12.4238 -12.7101
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C_amorph-3 ALA -2.7842 -2.5728 -2.6777
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C_amorph-3 ARG -18.2347 -17.4547 -17.8444
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C_amorph-3 ASN -9.4045 -9.0580 -9.2307
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C_amorph-3 ASP -4.5451 -4.2438 -4.3939
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C_amorph-3 CHL -3.4042 -3.1835 -3.2929
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C_amorph-3 CYM -2.3447 -2.0817 -2.2121
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C_amorph-3 CYS -5.8554 -5.4848 -5.6684
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C_amorph-3 DGL -20.8748 -20.0861 -20.4769
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C_amorph-3 EST -14.5623 -14.0983 -14.3301
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C_amorph-3 ETA -0.5390 -0.3418 -0.4399
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C_amorph-3 GAN -13.3341 -12.7819 -13.0548
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C_amorph-3 GLN -12.1861 -11.7763 -11.9810
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C_amorph-3 GLU -7.9104 -7.6127 -7.7611
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C_amorph-3 GLY -10.6079 -10.0977 -10.3505
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C_amorph-3 HID -15.9455 -15.1765 -15.5582
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C_amorph-3 HIE -15.7375 -15.2222 -15.4784
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C_amorph-3 HIP -13.5007 -13.0037 -13.2508
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C_amorph-3 ILE -13.2864 -12.9103 -13.0974
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C_amorph-3 LEU -13.3547 -12.8545 -13.1027
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C_amorph-3 LYS -9.6119 -8.9577 -9.2818
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C_amorph-3 MET -13.6861 -13.2574 -13.4707
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C_amorph-3 PHE -17.2060 -16.5742 -16.8875
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C_amorph-3 PHO -9.3383 -8.8217 -9.0777
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C_amorph-3 PRO -19.6326 -18.8500 -19.2400
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C_amorph-3 SER -4.3702 -4.0510 -4.2085
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C_amorph-3 THR -7.9923 -7.6068 -7.7985
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C_amorph-3 TRP -22.0664 -21.5205 -21.7930
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C_amorph-3 TYR -21.4992 -20.7439 -21.1206
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C_amorph-3 VAL -10.0394 -9.7899 -9.9142
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C_amorph-3 PRP -7.9564 -7.5693 -7.7614
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C_amorph-3 BUT1 -9.9690 -9.5298 -9.7470
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C_amorph-3 BUT2 -11.3776 -11.0331 -11.2038
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CNT15-COO--10 ALA 0.9773 1.0806 1.0298
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CNT15-COO--10 ARG -13.0291 -12.2256 -12.6236
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CNT15-COO--10 ASN -2.0101 -1.6474 -1.8264
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CNT15-COO--10 ASP 0.2155 0.4977 0.3589
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CNT15-COO--10 CHL -0.6780 -0.4304 -0.5528
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CNT15-COO--10 CYM -0.5819 -0.1189 -0.3436
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CNT15-COO--10 CYS 0.3223 0.5420 0.4339
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CNT15-COO--10 DGL -15.5167 -14.5576 -15.0275
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CNT15-COO--10 EST -3.7873 -3.4971 -3.6409
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CNT15-COO--10 ETA -7.4216 -6.4070 -6.9087
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CNT15-COO--10 GAN -5.1431 -4.6519 -4.8966
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CNT15-COO--10 GLN -2.5276 -2.2612 -2.3936
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CNT15-COO--10 GLU -0.0861 0.2593 0.0902
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CNT15-COO--10 GLY -4.0056 -3.5301 -3.7662
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CNT15-COO--10 HID -5.1812 -4.8123 -4.9957
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CNT15-COO--10 HIE -6.1017 -5.5652 -5.8305
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CNT15-COO--10 HIP -12.8679 -11.5325 -12.1922
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CNT15-COO--10 ILE -0.8330 -0.6172 -0.7242
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CNT15-COO--10 LEU -0.7341 -0.4685 -0.5997
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CNT15-COO--10 LYS -8.1200 -6.3694 -7.2286
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CNT15-COO--10 MET -1.5678 -1.3446 -1.4557
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CNT15-COO--10 PHE -4.2980 -3.8435 -4.0682
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CNT15-COO--10 PHO -2.9519 -2.2449 -2.5946
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CNT15-COO--10 PRO -6.0172 -5.4130 -5.7135
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CNT15-COO--10 SER 0.1779 0.2952 0.2370
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CNT15-COO--10 THR -0.2853 -0.1057 -0.1947
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CNT15-COO--10 TRP -9.0697 -8.4805 -8.7746
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CNT15-COO--10 TYR -10.5194 -9.8782 -10.1951
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CNT15-COO--10 VAL -0.0340 0.1664 0.0673
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CNT15-COO--10 PRP 0.1211 0.3009 0.2119
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CNT15-COO--10 BUT1 -0.7287 -0.3622 -0.5413
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CNT15-COO--10 BUT2 -0.7210 -0.4830 -0.6005
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CNT15-COO--3 ALA 0.2130 0.3713 0.2930
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CNT15-COO--3 ARG -12.1117 -11.3721 -11.7399
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CNT15-COO--3 ASN -3.6134 -3.1697 -3.3894
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CNT15-COO--3 ASP -0.1062 0.0872 -0.0085
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CNT15-COO--3 CHL -1.1467 -0.9465 -1.0455
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CNT15-COO--3 CYM 0.1404 0.2954 0.2186
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CNT15-COO--3 CYS -0.8784 -0.6708 -0.7733
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CNT15-COO--3 DGL -14.5642 -13.2854 -13.9217
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CNT15-COO--3 EST -6.3896 -5.8994 -6.1434
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CNT15-COO--3 ETA -3.7266 -3.2892 -3.5059
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CNT15-COO--3 GAN -5.9478 -5.5161 -5.7290
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CNT15-COO--3 GLN -4.5570 -4.2364 -4.3947
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CNT15-COO--3 GLU -1.1230 -0.8527 -0.9870
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CNT15-COO--3 GLY -4.5153 -4.1278 -4.3203
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CNT15-COO--3 HID -7.5796 -7.1039 -7.3404
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CNT15-COO--3 HIE -7.8364 -7.3143 -7.5742
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CNT15-COO--3 HIP -12.5809 -11.8287 -12.2042
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CNT15-COO--3 ILE -3.4787 -3.2241 -3.3508
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CNT15-COO--3 LEU -2.9348 -2.6391 -2.7862
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CNT15-COO--3 LYS -5.5438 -4.6514 -5.0935
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CNT15-COO--3 MET -4.0559 -3.7505 -3.9023
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CNT15-COO--3 PHE -7.3060 -6.8600 -7.0814
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CNT15-COO--3 PHO -2.7039 -2.3318 -2.5168
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CNT15-COO--3 PRO -8.1199 -7.7565 -7.9366
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CNT15-COO--3 SER -0.5907 -0.4299 -0.5092
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CNT15-COO--3 THR -1.5960 -1.3937 -1.4944
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CNT15-COO--3 TRP -11.8482 -11.3602 -11.6030
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CNT15-COO--3 TYR -12.6064 -12.2572 -12.4315
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CNT15-COO--3 VAL -1.8263 -1.5781 -1.7015
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CNT15-COO--3 PRP -1.5225 -1.2445 -1.3820
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CNT15-COO--3 BUT1 -2.2970 -2.1040 -2.1996
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CNT15-COO--3 BUT2 -2.9166 -2.6413 -2.7783
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CNT15-COOH-30 ALA 0.9983 1.0938 1.0464
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CNT15-COOH-30 ARG -2.7993 -2.4654 -2.6300
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CNT15-COOH-30 ASN -1.6732 -1.3236 -1.4944
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CNT15-COOH-30 ASP -22.5390 -16.8623 -19.6527
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CNT15-COOH-30 CHL -1.7434 -1.5625 -1.6515
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CNT15-COOH-30 CYM -9.1764 -7.4152 -8.2901
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CNT15-COOH-30 CYS 0.4490 0.5754 0.5128
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CNT15-COOH-30 DGL -9.2908 -7.1140 -8.1404
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CNT15-COOH-30 EST -0.7139 -0.5306 -0.6210
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CNT15-COOH-30 ETA 0.0988 0.2325 0.1659
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CNT15-COOH-30 GAN -2.5795 -2.2257 -2.4000
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CNT15-COOH-30 GLN -2.2865 -1.7237 -1.9962
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CNT15-COOH-30 GLU -24.1132 -17.9908 -21.0385
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CNT15-COOH-30 GLY -4.3125 -3.7029 -4.0016
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CNT15-COOH-30 HID -1.5496 -1.2334 -1.3892
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CNT15-COOH-30 HIE -1.2176 -0.9496 -1.0817
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CNT15-COOH-30 HIP -2.0065 -1.7407 -1.8725
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CNT15-COOH-30 ILE 0.1122 0.2704 0.1926
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CNT15-COOH-30 LEU 0.0930 0.2500 0.1725
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CNT15-COOH-30 LYS -0.6325 -0.4157 -0.5221
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CNT15-COOH-30 MET -0.5815 -0.3440 -0.4601
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CNT15-COOH-30 PHE -0.2245 -0.0426 -0.1323
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CNT15-COOH-30 PHO -10.0400 -7.8990 -8.9253
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CNT15-COOH-30 PRO -5.1527 -4.2175 -4.6705
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CNT15-COOH-30 SER 0.3609 0.5104 0.4371
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CNT15-COOH-30 THR 0.1724 0.3166 0.2457
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CNT15-COOH-30 TRP -1.4984 -1.2107 -1.3487
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CNT15-COOH-30 TYR -1.0512 -0.7574 -0.9001
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CNT15-COOH-30 VAL 0.4106 0.5352 0.4737
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CNT15-COOH-30 PRP 0.6300 0.7710 0.7018
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CNT15-COOH-30 BUT1 0.4972 0.6531 0.5767
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CNT15-COOH-30 BUT2 0.4144 0.5835 0.5019
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CNT15-COOH-3 ALA -0.0066 0.1695 0.0827
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CNT15-COOH-3 ARG -10.5571 -10.1893 -10.3726
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CNT15-COOH-3 ASN -3.8732 -3.5956 -3.7335
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CNT15-COOH-3 ASP -0.8427 -0.5896 -0.7132
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CNT15-COOH-3 CHL -1.0133 -0.7782 -0.8942
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CNT15-COOH-3 CYM 0.1167 0.2459 0.1821
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CNT15-COOH-3 CYS -1.2061 -0.9908 -1.0969
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CNT15-COOH-3 DGL -9.9561 -9.4473 -9.7007
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CNT15-COOH-3 EST -6.5996 -6.2131 -6.4043
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CNT15-COOH-3 ETA 0.5078 0.6038 0.5561
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CNT15-COOH-3 GAN -6.0198 -5.6302 -5.8229
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CNT15-COOH-3 GLN -4.9954 -4.6397 -4.8147
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CNT15-COOH-3 GLU -1.8464 -1.5295 -1.6862
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CNT15-COOH-3 GLY -4.3403 -4.0497 -4.1936
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CNT15-COOH-3 HID -7.9492 -7.5786 -7.7628
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CNT15-COOH-3 HIE -8.2941 -7.8889 -8.0902
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CNT15-COOH-3 HIP -8.4772 -8.1134 -8.2945
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CNT15-COOH-3 ILE -4.2841 -3.9960 -4.1396
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CNT15-COOH-3 LEU -3.7204 -3.4987 -3.6089
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CNT15-COOH-3 LYS -2.9993 -2.6912 -2.8442
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CNT15-COOH-3 MET -4.8486 -4.4374 -4.6419
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CNT15-COOH-3 PHE -7.6748 -7.2798 -7.4755
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CNT15-COOH-3 PHO -2.6529 -2.3692 -2.5088
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CNT15-COOH-3 PRO -8.4391 -8.1121 -8.2750
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CNT15-COOH-3 SER -0.8496 -0.5848 -0.7150
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CNT15-COOH-3 THR -2.1032 -1.9201 -2.0106
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CNT15-COOH-3 TRP -12.8350 -12.1463 -12.4892
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CNT15-COOH-3 TYR -12.8952 -12.3227 -12.6077
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CNT15-COOH-3 VAL -2.5316 -2.2191 -2.3737
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CNT15-COOH-3 PRP -2.0791 -1.8719 -1.9745
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CNT15-COOH-3 BUT1 -3.1657 -2.9403 -3.0519
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CNT15-COOH-3 BUT2 -3.3828 -3.1942 -3.2873
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CNT15-NH2-14 ALA 1.2679 1.3474 1.3079
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CNT15-NH2-14 ARG -3.9186 -3.5602 -3.7367
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CNT15-NH2-14 ASN -1.3321 -1.0995 -1.2145
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CNT15-NH2-14 ASP -0.8933 -0.6651 -0.7782
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CNT15-NH2-14 CHL -1.7349 -1.5019 -1.6175
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CNT15-NH2-14 CYM 0.0193 0.1838 0.1022
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CNT15-NH2-14 CYS 0.7186 0.8444 0.7821
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CNT15-NH2-14 DGL -10.5187 -9.8693 -10.1918
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CNT15-NH2-14 EST -0.9087 -0.6732 -0.7889
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CNT15-NH2-14 ETA -3.2841 -2.8176 -3.0485
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CNT15-NH2-14 GAN -2.3030 -1.8651 -2.0813
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CNT15-NH2-14 GLN -1.3179 -1.1086 -1.2122
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CNT15-NH2-14 GLU -1.0433 -0.7481 -0.8940
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CNT15-NH2-14 GLY -3.5006 -3.1471 -3.3219
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CNT15-NH2-14 HID -2.4258 -2.0145 -2.2170
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CNT15-NH2-14 HIE -2.3687 -2.1296 -2.2482
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CNT15-NH2-14 HIP -3.9388 -3.5988 -3.7669
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CNT15-NH2-14 ILE 1.1387 1.2512 1.1955
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CNT15-NH2-14 LEU 1.0578 1.1615 1.1103
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CNT15-NH2-14 LYS -4.7688 -4.0613 -4.4116
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CNT15-NH2-14 MET 0.5882 0.6873 0.6385
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CNT15-NH2-14 PHE -0.0543 0.1648 0.0563
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CNT15-NH2-14 PHO -4.0495 -3.3436 -3.6919
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CNT15-NH2-14 PRO -4.8955 -4.2430 -4.5639
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CNT15-NH2-14 SER 0.2132 0.3611 0.2879
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CNT15-NH2-14 THR 0.0696 0.2443 0.1577
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CNT15-NH2-14 TRP -3.3381 -2.8827 -3.1083
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CNT15-NH2-14 TYR -2.9406 -2.4352 -2.6836
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CNT15-NH2-14 VAL 1.0872 1.1957 1.1420
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CNT15-NH2-14 PRP 0.9837 1.1025 1.0436
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CNT15-NH2-14 BUT1 1.0184 1.1432 1.0815
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CNT15-NH2-14 BUT2 0.9608 1.0991 1.0306
|
|
CNT15-NH2-2 ALA 0.1589 0.3050 0.2331
|
|
CNT15-NH2-2 ARG -10.3882 -9.9537 -10.1705
|
|
CNT15-NH2-2 ASN -3.5944 -3.2975 -3.4444
|
|
CNT15-NH2-2 ASP -0.6229 -0.4199 -0.5207
|
|
CNT15-NH2-2 CHL -1.4810 -1.2416 -1.3603
|
|
CNT15-NH2-2 CYM 0.0086 0.1688 0.0892
|
|
CNT15-NH2-2 CYS -0.9565 -0.7500 -0.8519
|
|
CNT15-NH2-2 DGL -10.7103 -10.4420 -10.5753
|
|
CNT15-NH2-2 EST -6.5628 -6.1669 -6.3627
|
|
CNT15-NH2-2 ETA 0.1747 0.4636 0.3254
|
|
CNT15-NH2-2 GAN -6.1126 -5.6870 -5.8977
|
|
CNT15-NH2-2 GLN -5.0677 -4.5580 -4.8108
|
|
CNT15-NH2-2 GLU -1.1921 -0.9334 -1.0614
|
|
CNT15-NH2-2 GLY -4.2783 -4.0413 -4.1595
|
|
CNT15-NH2-2 HID -7.6804 -7.2880 -7.4838
|
|
CNT15-NH2-2 HIE -7.6948 -7.3452 -7.5193
|
|
CNT15-NH2-2 HIP -9.4790 -9.0358 -9.2564
|
|
CNT15-NH2-2 ILE -3.3690 -3.0214 -3.1932
|
|
CNT15-NH2-2 LEU -3.2196 -2.9110 -3.0636
|
|
CNT15-NH2-2 LYS -2.8091 -2.4743 -2.6405
|
|
CNT15-NH2-2 MET -4.2767 -3.9998 -4.1371
|
|
CNT15-NH2-2 PHE -7.2809 -6.8436 -7.0610
|
|
CNT15-NH2-2 PHO -2.2873 -1.8745 -2.0785
|
|
CNT15-NH2-2 PRO -8.3408 -7.9815 -8.1596
|
|
CNT15-NH2-2 SER -0.8110 -0.6045 -0.7062
|
|
CNT15-NH2-2 THR -1.6139 -1.4279 -1.5203
|
|
CNT15-NH2-2 TRP -11.7320 -11.3260 -11.5283
|
|
CNT15-NH2-2 TYR -12.0028 -11.4731 -11.7364
|
|
CNT15-NH2-2 VAL -1.9888 -1.7248 -1.8560
|
|
CNT15-NH2-2 PRP -1.6931 -1.4365 -1.5636
|
|
CNT15-NH2-2 BUT1 -2.4178 -2.1449 -2.2801
|
|
CNT15-NH2-2 BUT2 -2.7720 -2.3963 -2.5825
|
|
CNT15-NH3+-4 ALA 0.6743 0.8435 0.7602
|
|
CNT15-NH3+-4 ARG -3.5466 -2.9112 -3.2253
|
|
CNT15-NH3+-4 ASN -3.2680 -2.9667 -3.1161
|
|
CNT15-NH3+-4 ASP -27.5222 -24.7670 -26.1426
|
|
CNT15-NH3+-4 CHL 1.5251 1.7296 1.6296
|
|
CNT15-NH3+-4 CYM -24.0930 -22.2510 -23.1675
|
|
CNT15-NH3+-4 CYS -0.3433 -0.1236 -0.2314
|
|
CNT15-NH3+-4 DGL -7.4065 -7.0354 -7.2201
|
|
CNT15-NH3+-4 EST -4.7772 -4.2982 -4.5357
|
|
CNT15-NH3+-4 ETA 2.1226 2.2487 2.1863
|
|
CNT15-NH3+-4 GAN -4.9188 -4.2439 -4.5763
|
|
CNT15-NH3+-4 GLN -4.1590 -3.7280 -3.9419
|
|
CNT15-NH3+-4 GLU -27.0486 -25.1252 -26.0766
|
|
CNT15-NH3+-4 GLY -3.1479 -2.8830 -3.0149
|
|
CNT15-NH3+-4 HID -6.1596 -5.6986 -5.9275
|
|
CNT15-NH3+-4 HIE -5.2976 -4.8914 -5.0932
|
|
CNT15-NH3+-4 HIP -1.9568 -1.5496 -1.7516
|
|
CNT15-NH3+-4 ILE -2.8844 -2.6126 -2.7470
|
|
CNT15-NH3+-4 LEU -2.0766 -1.7363 -1.9043
|
|
CNT15-NH3+-4 LYS 0.9380 1.1431 1.0421
|
|
CNT15-NH3+-4 MET -3.0251 -2.7335 -2.8778
|
|
CNT15-NH3+-4 PHE -5.4561 -4.8734 -5.1613
|
|
CNT15-NH3+-4 PHO -30.0172 -28.0184 -29.0176
|
|
CNT15-NH3+-4 PRO -6.8397 -6.1652 -6.5006
|
|
CNT15-NH3+-4 SER -0.2632 -0.1190 -0.1906
|
|
CNT15-NH3+-4 THR -0.9966 -0.8005 -0.8978
|
|
CNT15-NH3+-4 TRP -8.9920 -8.6488 -8.8199
|
|
CNT15-NH3+-4 TYR -9.9615 -9.3097 -9.6344
|
|
CNT15-NH3+-4 VAL -1.0376 -0.8024 -0.9187
|
|
CNT15-NH3+-4 PRP -0.8996 -0.6802 -0.7889
|
|
CNT15-NH3+-4 BUT1 -1.7136 -1.3095 -1.5079
|
|
CNT15-NH3+-4 BUT2 -1.6773 -1.4867 -1.5810
|
|
CNT15-NH3+-2 ALA 0.3973 0.5553 0.4773
|
|
CNT15-NH3+-2 ARG -7.5322 -7.1269 -7.3292
|
|
CNT15-NH3+-2 ASN -3.6054 -3.2890 -3.4463
|
|
CNT15-NH3+-2 ASP -25.4920 -23.4273 -24.4481
|
|
CNT15-NH3+-2 CHL 0.1567 0.3530 0.2559
|
|
CNT15-NH3+-2 CYM -18.0797 -17.0120 -17.5431
|
|
CNT15-NH3+-2 CYS -0.9293 -0.7074 -0.8168
|
|
CNT15-NH3+-2 DGL -9.8788 -9.4647 -9.6706
|
|
CNT15-NH3+-2 EST -6.1404 -5.8660 -6.0027
|
|
CNT15-NH3+-2 ETA 1.4730 1.5700 1.5219
|
|
CNT15-NH3+-2 GAN -5.9233 -5.3969 -5.6579
|
|
CNT15-NH3+-2 GLN -4.8000 -4.4544 -4.6250
|
|
CNT15-NH3+-2 GLU -23.0610 -21.1648 -22.1108
|
|
CNT15-NH3+-2 GLY -4.0975 -3.8101 -3.9530
|
|
CNT15-NH3+-2 HID -7.5121 -7.2264 -7.3689
|
|
CNT15-NH3+-2 HIE -7.6161 -7.2187 -7.4163
|
|
CNT15-NH3+-2 HIP -6.4327 -5.9905 -6.2106
|
|
CNT15-NH3+-2 ILE -3.8299 -3.5456 -3.6864
|
|
CNT15-NH3+-2 LEU -2.9382 -2.6327 -2.7843
|
|
CNT15-NH3+-2 LYS -1.1017 -0.7358 -0.9168
|
|
CNT15-NH3+-2 MET -4.0457 -3.7239 -3.8842
|
|
CNT15-NH3+-2 PHE -7.4702 -7.0660 -7.2667
|
|
CNT15-NH3+-2 PHO -24.7491 -21.6250 -23.1676
|
|
CNT15-NH3+-2 PRO -8.0125 -7.6662 -7.8386
|
|
CNT15-NH3+-2 SER -0.4259 -0.2608 -0.3422
|
|
CNT15-NH3+-2 THR -1.5953 -1.2576 -1.4240
|
|
CNT15-NH3+-2 TRP -11.6548 -11.3192 -11.4866
|
|
CNT15-NH3+-2 TYR -11.6850 -11.2398 -11.4608
|
|
CNT15-NH3+-2 VAL -2.0470 -1.8132 -1.9296
|
|
CNT15-NH3+-2 PRP -1.5384 -1.3805 -1.4586
|
|
CNT15-NH3+-2 BUT1 -2.5937 -2.2480 -2.4191
|
|
CNT15-NH3+-2 BUT2 -2.8498 -2.5007 -2.6733
|
|
CNT15-OH-14 ALA 0.7944 0.9362 0.8658
|
|
CNT15-OH-14 ARG -8.2400 -7.8854 -8.0618
|
|
CNT15-OH-14 ASN -2.6424 -2.4120 -2.5258
|
|
CNT15-OH-14 ASP -21.7698 -18.6519 -20.1907
|
|
CNT15-OH-14 CHL -6.9959 -6.5112 -6.7522
|
|
CNT15-OH-14 CYM -9.8199 -8.1896 -8.9912
|
|
CNT15-OH-14 CYS -0.0568 0.0698 0.0072
|
|
CNT15-OH-14 DGL -8.1488 -7.5576 -7.8490
|
|
CNT15-OH-14 EST -1.6917 -1.4074 -1.5474
|
|
CNT15-OH-14 ETA -1.1020 -0.8394 -0.9690
|
|
CNT15-OH-14 GAN -1.8939 -1.6736 -1.7832
|
|
CNT15-OH-14 GLN -2.9304 -2.6288 -2.7783
|
|
CNT15-OH-14 GLU -28.6263 -22.9517 -25.7413
|
|
CNT15-OH-14 GLY -3.1946 -2.6615 -2.9240
|
|
CNT15-OH-14 HID -3.7150 -3.4696 -3.5918
|
|
CNT15-OH-14 HIE -3.4386 -3.0909 -3.2634
|
|
CNT15-OH-14 HIP -7.2645 -6.8546 -7.0570
|
|
CNT15-OH-14 ILE -0.6430 -0.4226 -0.5311
|
|
CNT15-OH-14 LEU -0.4484 -0.2561 -0.3512
|
|
CNT15-OH-14 LYS -4.2401 -3.9463 -4.0920
|
|
CNT15-OH-14 MET -0.9627 -0.8062 -0.8838
|
|
CNT15-OH-14 PHE -1.4129 -1.2482 -1.3303
|
|
CNT15-OH-14 PHO -8.1522 -4.6325 -6.1890
|
|
CNT15-OH-14 PRO -6.7693 -6.5004 -6.6344
|
|
CNT15-OH-14 SER 0.0959 0.2248 0.1613
|
|
CNT15-OH-14 THR -0.4991 -0.2795 -0.3884
|
|
CNT15-OH-14 TRP -4.2523 -3.7486 -3.9977
|
|
CNT15-OH-14 TYR -1.9917 -1.7631 -1.8766
|
|
CNT15-OH-14 VAL -0.0115 0.1182 0.0543
|
|
CNT15-OH-14 PRP 0.0644 0.2338 0.1511
|
|
CNT15-OH-14 BUT1 0.2338 0.3792 0.3072
|
|
CNT15-OH-14 BUT2 -0.2246 -0.1214 -0.1724
|
|
CNT15-OH-4 ALA 0.0086 0.1933 0.1026
|
|
CNT15-OH-4 ARG -11.0582 -10.6353 -10.8465
|
|
CNT15-OH-4 ASN -3.6795 -3.3111 -3.4933
|
|
CNT15-OH-4 ASP -13.2750 -10.0440 -11.6459
|
|
CNT15-OH-4 CHL -2.5912 -2.3010 -2.4450
|
|
CNT15-OH-4 CYM -3.2348 -0.4720 -1.4621
|
|
CNT15-OH-4 CYS -1.2731 -1.0759 -1.1737
|
|
CNT15-OH-4 DGL -9.9496 -9.4305 -9.6871
|
|
CNT15-OH-4 EST -6.8249 -6.4395 -6.6310
|
|
CNT15-OH-4 ETA 0.3149 0.4504 0.3833
|
|
CNT15-OH-4 GAN -5.9353 -5.5296 -5.7319
|
|
CNT15-OH-4 GLN -5.2604 -4.8881 -5.0730
|
|
CNT15-OH-4 GLU -12.8806 -9.1611 -11.0021
|
|
CNT15-OH-4 GLY -4.0225 -3.7116 -3.8660
|
|
CNT15-OH-4 HID -8.0974 -7.6803 -7.8870
|
|
CNT15-OH-4 HIE -7.7646 -7.4742 -7.6190
|
|
CNT15-OH-4 HIP -9.7011 -9.1482 -9.4230
|
|
CNT15-OH-4 ILE -4.3019 -3.9670 -4.1324
|
|
CNT15-OH-4 LEU -3.9371 -3.5948 -3.7646
|
|
CNT15-OH-4 LYS -4.1374 -3.6832 -3.9081
|
|
CNT15-OH-4 MET -4.8802 -4.5342 -4.7059
|
|
CNT15-OH-4 PHE -7.3411 -6.9564 -7.1472
|
|
CNT15-OH-4 PHO -4.2932 -3.2992 -3.7639
|
|
CNT15-OH-4 PRO -9.4194 -8.7813 -9.0946
|
|
CNT15-OH-4 SER -0.8602 -0.6402 -0.7489
|
|
CNT15-OH-4 THR -2.0975 -1.8460 -1.9706
|
|
CNT15-OH-4 TRP -11.6312 -11.1009 -11.3647
|
|
CNT15-OH-4 TYR -12.0862 -11.5653 -11.8253
|
|
CNT15-OH-4 VAL -2.5533 -2.2882 -2.4200
|
|
CNT15-OH-4 PRP -1.9930 -1.8090 -1.9002
|
|
CNT15-OH-4 BUT1 -2.8166 -2.4669 -2.6404
|
|
CNT15-OH-4 BUT2 -3.5997 -3.2981 -3.4483
|
|
CNT15 ALA -0.0446 0.1310 0.0447
|
|
CNT15 ARG -10.4038 -10.0130 -10.2074
|
|
CNT15 ASN -4.1023 -3.7882 -3.9444
|
|
CNT15 ASP -0.3755 -0.2006 -0.2874
|
|
CNT15 CHL -0.9906 -0.7545 -0.8714
|
|
CNT15 CYM 0.0440 0.1900 0.1173
|
|
CNT15 CYS -1.3193 -1.0732 -1.1946
|
|
CNT15 DGL -10.3903 -9.9779 -10.1823
|
|
CNT15 EST -6.5592 -6.0390 -6.2964
|
|
CNT15 ETA 0.5009 0.6189 0.5605
|
|
CNT15 GAN -6.4984 -6.0642 -6.2796
|
|
CNT15 GLN -4.9264 -4.6060 -4.7648
|
|
CNT15 GLU -1.3337 -1.0712 -1.2017
|
|
CNT15 GLY -4.6069 -4.3341 -4.4692
|
|
CNT15 HID -8.1883 -7.8223 -8.0049
|
|
CNT15 HIE -8.3584 -7.8876 -8.1212
|
|
CNT15 HIP -9.4525 -8.8924 -9.1710
|
|
CNT15 ILE -4.2948 -4.0084 -4.1507
|
|
CNT15 LEU -3.5711 -3.3207 -3.4453
|
|
CNT15 LYS -3.0425 -2.7786 -2.9100
|
|
CNT15 MET -4.8461 -4.5813 -4.7131
|
|
CNT15 PHE -8.0695 -7.7474 -7.9072
|
|
CNT15 PHO -2.4313 -2.2016 -2.3156
|
|
CNT15 PRO -8.4328 -8.0138 -8.2220
|
|
CNT15 SER -0.7759 -0.5936 -0.6838
|
|
CNT15 THR -2.0679 -1.8650 -1.9652
|
|
CNT15 TRP -12.5417 -12.1016 -12.3214
|
|
CNT15 TYR -12.9578 -12.3841 -12.6694
|
|
CNT15 VAL -2.5840 -2.2947 -2.4383
|
|
CNT15 PRP -1.8659 -1.5098 -1.6854
|
|
CNT15 BUT1 -2.8857 -2.6812 -2.7824
|
|
CNT15 BUT2 -3.3744 -3.0176 -3.1944
|
|
Fe2O3-001O ALA 0.0172 0.0899 0.0536
|
|
Fe2O3-001O ARG -0.3420 -0.1471 -0.2437
|
|
Fe2O3-001O ASN -0.1137 0.0045 -0.0538
|
|
Fe2O3-001O ASP -0.0188 0.1309 0.0570
|
|
Fe2O3-001O CHL -0.1890 -0.0481 -0.1181
|
|
Fe2O3-001O CYM -1.3153 -0.8633 -1.0795
|
|
Fe2O3-001O CYS -0.2834 -0.1050 -0.1937
|
|
Fe2O3-001O DGL -2.9648 -2.2173 -2.5749
|
|
Fe2O3-001O EST -0.5155 -0.3991 -0.4570
|
|
Fe2O3-001O ETA 0.1978 0.2848 0.2415
|
|
Fe2O3-001O GAN -0.5578 -0.3616 -0.4584
|
|
Fe2O3-001O GLN -0.2390 -0.0839 -0.1609
|
|
Fe2O3-001O GLU -0.5153 -0.0865 -0.2709
|
|
Fe2O3-001O GLY -0.5921 -0.3274 -0.4582
|
|
Fe2O3-001O HID -0.8757 -0.7825 -0.8289
|
|
Fe2O3-001O HIE -0.6567 -0.5157 -0.5860
|
|
Fe2O3-001O HIP -0.3387 -0.1739 -0.2559
|
|
Fe2O3-001O ILE -0.4646 -0.2949 -0.3790
|
|
Fe2O3-001O LEU -0.5735 -0.4362 -0.5046
|
|
Fe2O3-001O LYS -0.5836 -0.4407 -0.5119
|
|
Fe2O3-001O MET -0.5754 -0.3810 -0.4776
|
|
Fe2O3-001O PHE -0.7087 -0.5977 -0.6530
|
|
Fe2O3-001O PHO -1.0700 -0.5887 -0.8166
|
|
Fe2O3-001O PRO -1.3963 -0.7249 -1.0163
|
|
Fe2O3-001O SER 0.0316 0.1703 0.1014
|
|
Fe2O3-001O THR -0.1464 -0.0664 -0.1062
|
|
Fe2O3-001O TRP -0.6260 -0.6260 -0.6260
|
|
Fe2O3-001O TYR -0.8844 -0.6184 -0.7504
|
|
Fe2O3-001O VAL -0.3550 -0.2301 -0.2922
|
|
Fe2O3-001O PRP 0.3498 0.4271 0.3886
|
|
Fe2O3-001O BUT1 0.3764 0.4849 0.4310
|
|
Fe2O3-001O BUT2 0.1366 0.2491 0.1932
|
|
graphene ALA -1.3535 -1.1163 -1.2332
|
|
graphene ARG -17.5874 -16.813 -17.2001
|
|
graphene ASN -7.3686 -7.0606 -7.214
|
|
graphene ASP -2.4168 -2.226 -2.3209
|
|
graphene CHL -2.3906 -2.0945 -2.2409
|
|
graphene CYM -1.6247 -1.4436 -1.5335
|
|
graphene CYS -3.6512 -3.3715 -3.5106
|
|
graphene DGL -16.3818 -15.8017 -16.0881
|
|
graphene EST -11.4881 -10.9433 -11.214
|
|
graphene ETA -0.3089 -0.2045 -0.2558
|
|
graphene GAN -11.3657 -10.6336 -10.9962
|
|
graphene GLN -8.569 -8.368 -8.4681
|
|
graphene GLU -4.1762 -3.7563 -3.9648
|
|
graphene GLY -8.6685 -8.4485 -8.5579
|
|
graphene HID -13.8288 -13.5047 -13.6656
|
|
graphene HIE -14.3233 -13.5828 -13.9517
|
|
graphene HIP -14.7258 -14.013 -14.3685
|
|
graphene ILE -8.7924 -8.4054 -8.5979
|
|
graphene LEU -7.2549 -7.0228 -7.1382
|
|
graphene LYS -6.2502 -5.5836 -5.9134
|
|
graphene MET -9.2732 -9.0002 -9.1365
|
|
graphene PHE -15.7851 -15.4956 -15.6397
|
|
graphene PHO -5.7735 -5.3851 -5.5787
|
|
graphene PRO -14.3065 -13.7821 -14.0407
|
|
graphene SER -2.8078 -2.6386 -2.7224
|
|
graphene THR -4.5347 -4.2173 -4.3753
|
|
graphene TRP -24.7674 -23.8063 -24.2858
|
|
graphene TYR -21.6578 -21.1055 -21.3811
|
|
graphene VAL -5.7226 -5.3891 -5.5555
|
|
bi-graphene ALA -1.3613 -1.1285 -1.2432
|
|
bi-graphene ARG -18.1338 -17.1205 -17.6261
|
|
bi-graphene ASN -8.3115 -7.7649 -8.0366
|
|
bi-graphene ASP -2.9148 -2.7097 -2.8117
|
|
bi-graphene CHL -2.6859 -2.4795 -2.5815
|
|
bi-graphene CYM -1.8381 -1.5733 -1.7046
|
|
bi-graphene CYS -3.6422 -3.3776 -3.5091
|
|
bi-graphene DGL -17.9114 -17.1183 -17.5142
|
|
bi-graphene EST -12.6648 -12.2239 -12.444
|
|
bi-graphene ETA -0.4692 -0.2915 -0.3794
|
|
bi-graphene GAN -11.8552 -11.1017 -11.4736
|
|
bi-graphene GLN -9.5788 -9.2172 -9.3972
|
|
bi-graphene GLU -5.4542 -4.9054 -5.1791
|
|
bi-graphene GLY -9.6821 -9.4506 -9.5662
|
|
bi-graphene HID -14.5779 -14.0945 -14.3352
|
|
bi-graphene HIE -15.0974 -14.4067 -14.7506
|
|
bi-graphene HIP -15.7014 -15.0545 -15.3778
|
|
bi-graphene ILE -8.9479 -8.714 -8.8302
|
|
bi-graphene LEU -7.353 -7.1155 -7.2337
|
|
bi-graphene LYS -6.7282 -6.3434 -6.5346
|
|
bi-graphene MET -9.6479 -9.3243 -9.4855
|
|
bi-graphene PHE -16.096 -15.5383 -15.8162
|
|
bi-graphene PHO -6.738 -6.152 -6.4433
|
|
bi-graphene PRO -15.3911 -14.9562 -15.1716
|
|
bi-graphene SER -2.8212 -2.5988 -2.7089
|
|
bi-graphene THR -4.7669 -4.5104 -4.6378
|
|
bi-graphene TRP -25.0679 -24.3761 -24.721
|
|
bi-graphene TYR -22.4248 -21.4803 -21.9519
|
|
bi-graphene VAL -5.6568 -5.3838 -5.5198
|
|
tri-graphene ALA -1.2965 -1.0314 -1.1618
|
|
tri-graphene ARG -18.5224 -17.8566 -18.1888
|
|
tri-graphene ASN -8.5027 -8.0052 -8.2521
|
|
tri-graphene ASP -2.7676 -2.5329 -2.6497
|
|
tri-graphene CHL -2.7081 -2.1732 -2.4368
|
|
tri-graphene CYM -1.5982 -1.3027 -1.4475
|
|
tri-graphene CYS -3.9795 -3.5855 -3.7811
|
|
tri-graphene DGL -19.8041 -18.6779 -19.2285
|
|
tri-graphene EST -12.6362 -12.2453 -12.4397
|
|
tri-graphene ETA -0.3909 -0.2299 -0.3093
|
|
tri-graphene GAN -12.7354 -12.0726 -12.4025
|
|
tri-graphene GLN -10.1065 -9.8164 -9.9611
|
|
tri-graphene GLU -4.7304 -4.4441 -4.5864
|
|
tri-graphene GLY -9.9524 -9.505 -9.7277
|
|
tri-graphene HID -15.2492 -14.7866 -15.0167
|
|
tri-graphene HIE -15.3853 -14.9288 -15.1566
|
|
tri-graphene HIP -15.9998 -15.1793 -15.5885
|
|
tri-graphene ILE -8.8872 -8.4394 -8.6619
|
|
tri-graphene LEU -7.371 -6.9675 -7.1682
|
|
tri-graphene LYS -6.2834 -5.87 -6.0758
|
|
tri-graphene MET -9.7924 -9.4741 -9.633
|
|
tri-graphene PHE -15.9255 -15.3861 -15.6553
|
|
tri-graphene PHO -7.6866 -7.2638 -7.4732
|
|
tri-graphene PRO -16.0684 -15.5737 -15.8209
|
|
tri-graphene SER -2.9597 -2.5582 -2.7562
|
|
tri-graphene THR -5.0423 -4.6962 -4.8685
|
|
tri-graphene TRP -24.9385 -23.5443 -24.2406
|
|
tri-graphene TYR -23.2817 -22.7103 -22.9955
|
|
tri-graphene VAL -5.5637 -5.251 -5.4056
|
|
grapheneoxide ALA 0.0286 0.1405 0.0852
|
|
grapheneoxide ARG -8.7778 -8.0837 -8.4296
|
|
grapheneoxide ASN -3.4109 -3.0282 -3.216
|
|
grapheneoxide ASP -6.8215 -3.4352 -4.9779
|
|
grapheneoxide CHL -6.2747 -5.5045 -5.8829
|
|
grapheneoxide CYM -0.44 -0.1249 -0.2783
|
|
grapheneoxide CYS -1.1774 -0.9734 -1.0743
|
|
grapheneoxide DGL -10.6263 -9.8008 -10.2119
|
|
grapheneoxide EST -3.1273 -2.7818 -2.9516
|
|
grapheneoxide ETA -2.8445 -2.5251 -2.6831
|
|
grapheneoxide GAN -4.3468 -3.7596 -4.0497
|
|
grapheneoxide GLN -3.7525 -3.5136 -3.6324
|
|
grapheneoxide GLU -10.8942 -10.5324 -10.6754
|
|
grapheneoxide GLY -5.2361 -4.7798 -5.0056
|
|
grapheneoxide HID -5.2133 -4.5369 -4.8624
|
|
grapheneoxide HIE -4.41 -4.0007 -4.202
|
|
grapheneoxide HIP -6.9942 -6.242 -6.6111
|
|
grapheneoxide ILE -1.4591 -1.2169 -1.3361
|
|
grapheneoxide LEU -1.436 -1.2969 -1.3659
|
|
grapheneoxide LYS -4.372 -4.0138 -4.1915
|
|
grapheneoxide MET -2.1414 -1.8691 -2.0034
|
|
grapheneoxide PHE -2.6876 -2.3392 -2.5109
|
|
grapheneoxide PHO -3.5402 -2.9301 -3.2285
|
|
grapheneoxide PRO -8.2403 -7.6447 -7.939
|
|
grapheneoxide SER -0.7758 -0.6573 -0.716
|
|
grapheneoxide THR -1.6819 -1.3161 -1.4964
|
|
grapheneoxide TRP -5.0728 -4.6042 -4.8351
|
|
grapheneoxide TYR -4.9311 -4.5792 -4.7545
|
|
grapheneoxide VAL -1.0355 -0.8893 -0.9619
|
|
redgrapheneoxide ALA -2.5853 -2.3264 -2.455
|
|
redgrapheneoxide ARG -15.4987 -15.2045 -15.3512
|
|
redgrapheneoxide ASN -8.4299 -7.9348 -8.1795
|
|
redgrapheneoxide ASP -2.4219 -2.4219 -2.4219
|
|
redgrapheneoxide CHL -2.5903 -2.2931 -2.4397
|
|
redgrapheneoxide CYM -1.6398 -1.3131 -1.4744
|
|
redgrapheneoxide CYS -5.0228 -4.7972 -4.9094
|
|
redgrapheneoxide DGL -17.7398 -16.8802 -17.309
|
|
redgrapheneoxide EST -14.0855 -13.264 -13.6728
|
|
redgrapheneoxide ETA -0.4731 -0.2193 -0.3448
|
|
redgrapheneoxide GAN -11.6551 -11.3084 -11.4808
|
|
redgrapheneoxide GLN -9.9268 -9.9268 -9.9268
|
|
redgrapheneoxide GLU -5.2547 -4.6435 -4.9455
|
|
redgrapheneoxide GLY -8.7028 -8.3407 -8.5212
|
|
redgrapheneoxide HID -15.5528 -14.6762 -15.1129
|
|
redgrapheneoxide HIE -15.1005 -14.2495 -14.6735
|
|
redgrapheneoxide HIP -14.4368 -14.0367 -14.2356
|
|
redgrapheneoxide ILE -11.4278 -11.1484 -11.2876
|
|
redgrapheneoxide LEU -11.2287 -10.6885 -10.9581
|
|
redgrapheneoxide LYS -7.9073 -7.4957 -7.7008
|
|
redgrapheneoxide MET -12.2516 -11.6469 -11.9479
|
|
redgrapheneoxide PHE -18.2052 -17.6046 -17.9045
|
|
redgrapheneoxide PHO -7.8679 -7.4508 -7.6584
|
|
redgrapheneoxide PRO -16.058 -15.0929 -15.566
|
|
redgrapheneoxide SER -3.6355 -3.351 -3.492
|
|
redgrapheneoxide THR -6.1483 -5.8121 -5.9791
|
|
redgrapheneoxide TRP -26.6239 -24.8874 -25.751
|
|
redgrapheneoxide TYR -23.1805 -22.3124 -22.7404
|
|
redgrapheneoxide VAL -8.6323 -8.2888 -8.4581
|
|
graphene PRP -5.3323 -4.9943 -5.1619
|
|
graphene BUT1 -7.3480 -6.9337 -7.1392
|
|
graphene BUT2 -7.4580 -7.1099 -7.2830
|
|
bi-graphene PRP -4.9985 -4.6871 -4.8415
|
|
bi-graphene BUT1 -6.9773 -6.3607 -6.6662
|
|
bi-graphene BUT2 -7.3078 -6.8749 -7.0902
|
|
tri-graphene PRP -4.7275 -4.3942 -4.5596
|
|
tri-graphene BUT1 -7.0919 -6.6707 -6.8803
|
|
tri-graphene BUT2 -7.4512 -7.1596 -7.3047
|
|
grapheneoxide PRP -0.6818 -0.5201 -0.6002
|
|
grapheneoxide BUT1 -0.7372 -0.5776 -0.6566
|
|
grapheneoxide BUT2 -1.2608 -1.0747 -1.1668
|
|
redgrapheneoxide PRP -4.0193 -3.7475 -3.8817
|
|
redgrapheneoxide BUT1 -6.9128 -6.5395 -6.7254
|
|
redgrapheneoxide BUT2 -6.7705 -6.3201 -6.5409
|
|
SiO2-Q2 ALA -1.2987 -1.1449 -1.2212
|
|
SiO2-Q2 ARG -3.7097 -3.3522 -3.5289
|
|
SiO2-Q2 ASN -2.5332 -2.2737 -2.4023
|
|
SiO2-Q2 ASP -0.8378 -0.7194 -0.7784
|
|
SiO2-Q2 CHL -1.6491 -1.4603 -1.5535
|
|
SiO2-Q2 CYM -0.5346 -0.3672 -0.4507
|
|
SiO2-Q2 CYS -2.1855 -1.9965 -2.0899
|
|
SiO2-Q2 DGL -5.7838 -5.1710 -5.4723
|
|
SiO2-Q2 EST -4.0549 -3.6626 -3.8570
|
|
SiO2-Q2 ETA -0.1222 -0.0019 -0.0616
|
|
SiO2-Q2 GAN -3.1918 -3.0327 -3.1119
|
|
SiO2-Q2 GLN -3.1488 -2.8649 -3.0053
|
|
SiO2-Q2 GLU -1.6262 -1.4155 -1.5200
|
|
SiO2-Q2 GLY -2.7019 -2.4263 -2.5630
|
|
SiO2-Q2 HID -4.0814 -3.6822 -3.8801
|
|
SiO2-Q2 HIE -3.7786 -3.3329 -3.5527
|
|
SiO2-Q2 HIP -3.1590 -2.9611 -3.0592
|
|
SiO2-Q2 ILE -3.5795 -3.2469 -3.4116
|
|
SiO2-Q2 LEU -3.6280 -3.4013 -3.5142
|
|
SiO2-Q2 LYS -2.0849 -1.8522 -1.9679
|
|
SiO2-Q2 MET -3.6437 -3.4346 -3.5383
|
|
SiO2-Q2 PHE -3.5491 -3.2154 -3.3809
|
|
SiO2-Q2 PHO -1.9787 -1.5719 -1.7728
|
|
SiO2-Q2 PRO -5.1932 -4.7440 -4.9667
|
|
SiO2-Q2 SER -1.3304 -1.2176 -1.2737
|
|
SiO2-Q2 THR -2.2410 -1.9098 -2.0742
|
|
SiO2-Q2 TRP -5.7936 -5.2812 -5.5348
|
|
SiO2-Q2 TYR -4.7935 -4.5596 -4.6748
|
|
SiO2-Q2 VAL -3.0239 -2.6288 -2.8248
|
|
SiO2-Q4 ALA -1.7091 -1.3081 -1.5052
|
|
SiO2-Q4 ARG -4.1708 -3.6764 -3.9214
|
|
SiO2-Q4 ASN -2.6138 -2.3494 -2.4806
|
|
SiO2-Q4 ASP -0.9848 -0.7579 -0.8710
|
|
SiO2-Q4 CHL -0.3969 -0.1826 -0.2888
|
|
SiO2-Q4 CYM -0.5133 -0.3714 -0.4417
|
|
SiO2-Q4 CYS -2.2012 -1.9847 -2.0918
|
|
SiO2-Q4 DGL -4.6743 -4.3871 -4.5299
|
|
SiO2-Q4 EST -4.8241 -4.1439 -4.4809
|
|
SiO2-Q4 ETA 0.0987 0.2293 0.1642
|
|
SiO2-Q4 GAN -3.8067 -3.3282 -3.5651
|
|
SiO2-Q4 GLN -3.2647 -3.0179 -3.1402
|
|
SiO2-Q4 GLU -1.9346 -1.4871 -1.7080
|
|
SiO2-Q4 GLY -2.5097 -2.3124 -2.4103
|
|
SiO2-Q4 HID -4.5610 -4.0795 -4.3177
|
|
SiO2-Q4 HIE -4.4539 -4.0082 -4.2290
|
|
SiO2-Q4 HIP -2.6395 -2.4398 -2.5388
|
|
SiO2-Q4 ILE -5.0537 -4.8936 -4.9732
|
|
SiO2-Q4 LEU -4.9125 -4.5709 -4.7408
|
|
SiO2-Q4 LYS -1.9892 -1.7472 -1.8672
|
|
SiO2-Q4 MET -5.1349 -4.8613 -4.9976
|
|
SiO2-Q4 PHE -5.5504 -5.2059 -5.3773
|
|
SiO2-Q4 PHO -1.3618 -0.9603 -1.1585
|
|
SiO2-Q4 PRO -5.8743 -5.3810 -5.6259
|
|
SiO2-Q4 SER -1.5490 -1.2365 -1.3902
|
|
SiO2-Q4 THR -2.5062 -2.3039 -2.4044
|
|
SiO2-Q4 TRP -5.7819 -5.1960 -5.4869
|
|
SiO2-Q4 TYR -7.8859 -7.5309 -7.7078
|
|
SiO2-Q4 VAL -3.7451 -3.3815 -3.5618
|
|
SiO2-Q2 PRP -2.5093 -2.2405 -2.3732
|
|
SiO2-Q2 BUT1 -2.8333 -2.6097 -2.7200
|
|
SiO2-Q2 BUT2 -3.1964 -2.9360 -3.0655
|
|
SiO2-Q4 PRP -3.7377 -3.5029 -3.6194
|
|
SiO2-Q4 BUT1 -4.7278 -4.5233 -4.6249
|
|
SiO2-Q4 BUT2 -4.9727 -4.6869 -4.8286
|
|
TiO2-rut-110 ALA 0.1873 0.2527 0.2202
|
|
TiO2-rut-110 ARG -3.0571 -2.8250 -2.9404
|
|
TiO2-rut-110 ASN -0.3407 -0.1285 -0.2339
|
|
TiO2-rut-110 ASP 0.2311 0.5105 0.3731
|
|
TiO2-rut-110 CHL -1.8240 -1.6206 -1.7214
|
|
TiO2-rut-110 CYM -0.3045 -0.1410 -0.2218
|
|
TiO2-rut-110 CYS -0.0048 0.1110 0.0534
|
|
TiO2-rut-110 DGL -6.1762 -4.6425 -5.3565
|
|
TiO2-rut-110 EST -0.1358 0.0524 -0.0410
|
|
TiO2-rut-110 ETA -3.2789 -2.9304 -3.1014
|
|
TiO2-rut-110 GAN -0.5546 -0.2833 -0.4123
|
|
TiO2-rut-110 GLN -0.1782 -0.0725 -0.1250
|
|
TiO2-rut-110 GLU 0.5164 0.7543 0.6410
|
|
TiO2-rut-110 GLY -1.4565 -1.2061 -1.3295
|
|
TiO2-rut-110 HID -0.2257 -0.0599 -0.1421
|
|
TiO2-rut-110 HIE -0.1739 -0.0141 -0.0930
|
|
TiO2-rut-110 HIP -3.0371 -2.6176 -2.8257
|
|
TiO2-rut-110 ILE -0.1022 0.1176 0.0088
|
|
TiO2-rut-110 LEU 0.1724 0.2988 0.2358
|
|
TiO2-rut-110 LYS -3.9368 -3.3028 -3.6135
|
|
TiO2-rut-110 MET 0.2322 0.3581 0.2954
|
|
TiO2-rut-110 PHE -0.1142 -0.0072 -0.0604
|
|
TiO2-rut-110 PHO -1.8774 -1.4310 -1.6498
|
|
TiO2-rut-110 PRO -0.7447 -0.5431 -0.6429
|
|
TiO2-rut-110 SER 0.1152 0.1888 0.1521
|
|
TiO2-rut-110 THR -0.1316 -0.0118 -0.0710
|
|
TiO2-rut-110 TRP -0.0550 0.1022 0.0245
|
|
TiO2-rut-110 TYR -0.3454 -0.0820 -0.2109
|
|
TiO2-rut-110 VAL 0.1205 0.2589 0.1900
|
|
TiO2-ana-101 ALA 0.1517 0.2448 0.1984
|
|
TiO2-ana-101 ARG -1.9569 -1.7364 -1.8434
|
|
TiO2-ana-101 ASN -0.7232 -0.3941 -0.5531
|
|
TiO2-ana-101 ASP -6.3620 -5.3628 -5.8588
|
|
TiO2-ana-101 CHL -0.3654 -0.1101 -0.2359
|
|
TiO2-ana-101 CYM -9.7266 -7.4203 -8.5529
|
|
TiO2-ana-101 CYS -0.1492 -0.0284 -0.0886
|
|
TiO2-ana-101 DGL -3.7696 -3.0471 -3.3923
|
|
TiO2-ana-101 EST -0.0939 0.0581 -0.0176
|
|
TiO2-ana-101 ETA -3.2991 -2.5093 -2.8939
|
|
TiO2-ana-101 GAN -0.4832 -0.2661 -0.3711
|
|
TiO2-ana-101 GLN -0.8070 -0.4898 -0.6429
|
|
TiO2-ana-101 GLU -10.2212 -8.9345 -9.5656
|
|
TiO2-ana-101 GLY -1.1180 -0.8539 -0.9843
|
|
TiO2-ana-101 HID -0.4828 -0.2660 -0.3699
|
|
TiO2-ana-101 HIE -0.4059 -0.2936 -0.3493
|
|
TiO2-ana-101 HIP -1.2906 -1.0313 -1.1599
|
|
TiO2-ana-101 ILE 0.0512 0.1786 0.1153
|
|
TiO2-ana-101 LEU 0.0802 0.2135 0.1472
|
|
TiO2-ana-101 LYS -2.7173 -2.0847 -2.3958
|
|
TiO2-ana-101 MET -0.2003 -0.0721 -0.1358
|
|
TiO2-ana-101 PHE -0.1382 -0.0227 -0.0801
|
|
TiO2-ana-101 PHO -1.5600 -1.0644 -1.2876
|
|
TiO2-ana-101 PRO -0.8942 -0.6722 -0.7823
|
|
TiO2-ana-101 SER 0.0296 0.1255 0.0778
|
|
TiO2-ana-101 THR -0.0353 0.1182 0.0427
|
|
TiO2-ana-101 TRP -0.5444 -0.3746 -0.4590
|
|
TiO2-ana-101 TYR -0.5559 -0.3810 -0.4679
|
|
TiO2-ana-101 VAL 0.0343 0.1352 0.0849
|
|
TiO2-rut-100 ALA 0.0381 0.1137 0.0760
|
|
TiO2-rut-100 ARG -3.0251 -2.5912 -2.8071
|
|
TiO2-rut-100 ASN -0.4506 -0.2539 -0.3510
|
|
TiO2-rut-100 ASP -2.2149 -1.5487 -1.8667
|
|
TiO2-rut-100 CHL -1.3391 -1.0747 -1.2034
|
|
TiO2-rut-100 CYM -1.9347 -1.2025 -1.5501
|
|
TiO2-rut-100 CYS -0.0699 0.0113 -0.0292
|
|
TiO2-rut-100 DGL -4.1658 -3.3687 -3.7500
|
|
TiO2-rut-100 EST 0.1746 0.2822 0.2285
|
|
TiO2-rut-100 ETA -3.4940 -3.0609 -3.2743
|
|
TiO2-rut-100 GAN -0.2542 -0.1141 -0.1838
|
|
TiO2-rut-100 GLN -0.1429 -0.0177 -0.0796
|
|
TiO2-rut-100 GLU -2.8900 -1.8532 -2.3546
|
|
TiO2-rut-100 GLY -1.5978 -1.3694 -1.4830
|
|
TiO2-rut-100 HID -0.2246 -0.0445 -0.1337
|
|
TiO2-rut-100 HIE -0.2883 -0.1316 -0.2092
|
|
TiO2-rut-100 HIP -2.9278 -2.5902 -2.7572
|
|
TiO2-rut-100 ILE -0.1874 -0.0558 -0.1214
|
|
TiO2-rut-100 LEU -0.1391 -0.0325 -0.0857
|
|
TiO2-rut-100 LYS -3.0014 -2.7040 -2.8514
|
|
TiO2-rut-100 MET -0.0902 -0.0118 -0.0510
|
|
TiO2-rut-100 PHE -0.2410 -0.1321 -0.1863
|
|
TiO2-rut-100 PHO -1.9501 -1.2833 -1.6046
|
|
TiO2-rut-100 PRO -0.8144 -0.5784 -0.6948
|
|
TiO2-rut-100 SER 0.2242 0.3645 0.2951
|
|
TiO2-rut-100 THR 0.1276 0.2400 0.1844
|
|
TiO2-rut-100 TRP -0.0196 0.1653 0.0737
|
|
TiO2-rut-100 TYR -0.0327 0.0734 0.0205
|
|
TiO2-rut-100 VAL -0.0563 0.0153 -0.0204
|
|
TiO2-ana-100 ALA 0.0564 0.1970 0.1277
|
|
TiO2-ana-100 ARG -1.9565 -1.5612 -1.7559
|
|
TiO2-ana-100 ASN -0.5258 -0.2267 -0.3671
|
|
TiO2-ana-100 ASP -29.3733 -6.9794 -17.9294
|
|
TiO2-ana-100 CHL -1.1948 -0.9782 -1.0858
|
|
TiO2-ana-100 CYM -14.3716 -6.3243 -10.0618
|
|
TiO2-ana-100 CYS -0.0983 0.0032 -0.0472
|
|
TiO2-ana-100 DGL -2.5387 -2.1140 -2.3196
|
|
TiO2-ana-100 EST -0.4670 -0.2279 -0.3453
|
|
TiO2-ana-100 ETA -1.2054 -0.9502 -1.0721
|
|
TiO2-ana-100 GAN -0.6542 -0.4947 -0.5729
|
|
TiO2-ana-100 GLN -0.6543 -0.4593 -0.5559
|
|
TiO2-ana-100 GLU -15.1231 -7.1636 -10.9740
|
|
TiO2-ana-100 GLY -0.9864 -0.8545 -0.9201
|
|
TiO2-ana-100 HID -0.8535 -0.5810 -0.7157
|
|
TiO2-ana-100 HIE -0.9404 -0.6814 -0.8093
|
|
TiO2-ana-100 HIP -2.1024 -1.6781 -1.8868
|
|
TiO2-ana-100 ILE -0.5337 -0.3977 -0.4650
|
|
TiO2-ana-100 LEU -0.6208 -0.4248 -0.5214
|
|
TiO2-ana-100 LYS -1.6086 -1.1400 -1.3662
|
|
TiO2-ana-100 MET -0.3863 -0.1552 -0.2688
|
|
TiO2-ana-100 PHE -0.1875 0.0373 -0.0739
|
|
TiO2-ana-100 PHO -2.4280 -1.7775 -2.0964
|
|
TiO2-ana-100 PRO -1.3351 -1.0035 -1.1661
|
|
TiO2-ana-100 SER -0.2094 -0.1106 -0.1599
|
|
TiO2-ana-100 THR -0.3514 -0.2148 -0.2829
|
|
TiO2-ana-100 TRP -0.8810 -0.7190 -0.7994
|
|
TiO2-ana-100 TYR -0.7155 -0.5584 -0.6366
|
|
TiO2-ana-100 VAL -0.2058 -0.0804 -0.1428
|
|
TiO2-ana-100 PRP 0.7290 0.8391 0.7845
|
|
TiO2-ana-100 BUT1 0.5640 0.6738 0.6194
|
|
TiO2-ana-100 BUT2 0.5159 0.6180 0.5673
|
|
TiO2-ana-101 PRP 0.5545 0.6361 0.5955
|
|
TiO2-ana-101 BUT1 0.7943 0.8874 0.8412
|
|
TiO2-ana-101 BUT2 0.7735 0.8934 0.8337
|
|
TiO2-rut-100 PRP 0.8726 0.9441 0.9085
|
|
TiO2-rut-100 BUT1 0.9237 1.0033 0.9636
|
|
TiO2-rut-100 BUT2 0.8825 0.9883 0.9357
|
|
TiO2-rut-110 PRP 0.4472 0.5338 0.4909
|
|
TiO2-rut-110 BUT1 0.5951 0.7000 0.6478
|
|
TiO2-rut-110 BUT2 0.7261 0.8149 0.7707
|
|
TiO2-ana-101-NB ALA 0.2089 0.2526 0.2308
|
|
TiO2-ana-101-NB ARG 0.2919 0.3675 0.3299
|
|
TiO2-ana-101-NB ASN -0.1423 -0.0650 -0.1036
|
|
TiO2-ana-101-NB ASP -4.0454 -3.7514 -3.8975
|
|
TiO2-ana-101-NB CHL 0.0301 0.1468 0.0889
|
|
TiO2-ana-101-NB CYM -5.3499 -5.0115 -5.1795
|
|
TiO2-ana-101-NB CYS 0.2134 0.2732 0.2433
|
|
TiO2-ana-101-NB DGL -2.8871 -2.2333 -2.5253
|
|
TiO2-ana-101-NB EST -0.0671 0.0053 -0.0308
|
|
TiO2-ana-101-NB ETA -1.6435 -1.3487 -1.4939
|
|
TiO2-ana-101-NB GAN 0.0879 0.2068 0.1476
|
|
TiO2-ana-101-NB GLN 0.0687 0.1522 0.1106
|
|
TiO2-ana-101-NB GLU -3.4778 -3.2402 -3.3580
|
|
TiO2-ana-101-NB GLY -0.5887 -0.4860 -0.5370
|
|
TiO2-ana-101-NB HID -0.1189 -0.0395 -0.0791
|
|
TiO2-ana-101-NB HIE -0.0073 0.0967 0.0450
|
|
TiO2-ana-101-NB HIP 0.1068 0.2208 0.1645
|
|
TiO2-ana-101-NB ILE 0.1061 0.1887 0.1476
|
|
TiO2-ana-101-NB LEU 0.1753 0.2437 0.2096
|
|
TiO2-ana-101-NB LYS -0.9526 -0.6432 -0.7941
|
|
TiO2-ana-101-NB MET 0.0655 0.1275 0.0966
|
|
TiO2-ana-101-NB PHE 0.1187 0.2350 0.1770
|
|
TiO2-ana-101-NB PHO -4.0145 -3.4638 -3.7349
|
|
TiO2-ana-101-NB PRO -0.2559 -0.1865 -0.2211
|
|
TiO2-ana-101-NB SER 0.1600 0.2246 0.1924
|
|
TiO2-ana-101-NB THR 0.1678 0.2358 0.2019
|
|
TiO2-ana-101-NB TRP -0.0351 0.0596 0.0124
|
|
TiO2-ana-101-NB TYR 0.2128 0.3249 0.2693
|
|
TiO2-ana-101-NB VAL 0.3318 0.4052 0.3686
|
|
TiO2-ana-101-NB PRP 0.2174 0.2629 0.2402
|
|
TiO2-ana-101-NB BUT1 0.2805 0.3307 0.3056
|
|
TiO2-ana-101-NB BUT2 0.2383 0.2851 0.2617
|
|
ZnO-1010 ALA 0.3770 0.4660 0.4216
|
|
ZnO-1010 ARG 0.5202 0.5202 0.5202
|
|
ZnO-1010 ASN -0.7446 -0.4610 -0.5964
|
|
ZnO-1010 ASP -24.6440 -19.3181 -21.9265
|
|
ZnO-1010 CHL 0.5068 0.5068 0.5068
|
|
ZnO-1010 CYM -14.0605 -9.8083 -11.6620
|
|
ZnO-1010 CYS 0.1409 0.1409 0.1409
|
|
ZnO-1010 DGL -5.1683 -5.1683 -5.1683
|
|
ZnO-1010 EST 0.2659 0.2659 0.2659
|
|
ZnO-1010 ETA 0.6022 0.8194 0.7135
|
|
ZnO-1010 GAN -1.0961 -0.5083 -0.7632
|
|
ZnO-1010 GLN -0.7092 -0.1711 -0.3933
|
|
ZnO-1010 GLU -20.6830 -13.4141 -15.4708
|
|
ZnO-1010 GLY -1.3719 -1.0754 -1.2109
|
|
ZnO-1010 HID -0.0697 0.0936 0.0123
|
|
ZnO-1010 HIE -0.0124 0.0373 0.0125
|
|
ZnO-1010 HIP 0.5706 0.5706 0.5706
|
|
ZnO-1010 ILE 0.0532 0.0532 0.0532
|
|
ZnO-1010 LEU 0.2826 0.2826 0.2826
|
|
ZnO-1010 LYS 0.6673 0.6673 0.6673
|
|
ZnO-1010 MET -0.0435 0.0847 0.0208
|
|
ZnO-1010 PHE 0.3737 0.3737 0.3737
|
|
ZnO-1010 PHO -3.8538 -3.4659 -3.6562
|
|
ZnO-1010 PRO -1.6595 -1.1417 -1.3783
|
|
ZnO-1010 SER 0.0289 0.0723 0.0506
|
|
ZnO-1010 THR 0.1138 0.2059 0.1600
|
|
ZnO-1010 TRP -0.4075 -0.4075 -0.4075
|
|
ZnO-1010 TYR -0.1361 0.0705 -0.0322
|
|
ZnO-1010 VAL 0.1442 0.2164 0.1804
|
|
ZnO-1010 PRP 0.4239 0.5705 0.4975
|
|
ZnO-1010 BUT1 0.1919 0.3512 0.2721
|
|
ZnO-1010 BUT2 0.1455 0.2427 0.1942
|
|
ZnO-1210 ALA 0.3242 0.4237 0.3741
|
|
ZnO-1210 ARG 0.6143 0.7655 0.6902
|
|
ZnO-1210 ASN -0.1125 0.1480 0.0199
|
|
ZnO-1210 ASP -31.6402 -22.8987 -27.2616
|
|
ZnO-1210 CHL 0.3243 0.4791 0.4023
|
|
ZnO-1210 CYM -29.2579 -21.0548 -25.1547
|
|
ZnO-1210 CYS 0.1965 0.3025 0.2497
|
|
ZnO-1210 DGL -6.2484 -3.8171 -4.7284
|
|
ZnO-1210 EST 0.0476 0.1784 0.1134
|
|
ZnO-1210 ETA 0.1785 0.4376 0.3120
|
|
ZnO-1210 GAN -0.5386 -0.3576 -0.4458
|
|
ZnO-1210 GLN -0.3470 0.0934 -0.0726
|
|
ZnO-1210 GLU -15.4218 -8.2338 -11.4302
|
|
ZnO-1210 GLY -1.1469 -0.7442 -0.9198
|
|
ZnO-1210 HID -0.1463 -0.0407 -0.0933
|
|
ZnO-1210 HIE -0.5300 -0.3807 -0.4548
|
|
ZnO-1210 HIP 0.2619 0.4196 0.3418
|
|
ZnO-1210 ILE -1.0505 -0.7970 -0.9183
|
|
ZnO-1210 LEU 0.3374 0.4361 0.3870
|
|
ZnO-1210 LYS 0.7168 0.8459 0.7817
|
|
ZnO-1210 MET 0.2824 0.4403 0.3618
|
|
ZnO-1210 PHE 0.0187 0.1744 0.0970
|
|
ZnO-1210 PHO -6.0151 -4.0782 -4.7852
|
|
ZnO-1210 PRO -1.4622 -0.7783 -1.0451
|
|
ZnO-1210 SER 0.1243 0.2249 0.1749
|
|
ZnO-1210 THR -0.0764 0.1096 0.0173
|
|
ZnO-1210 TRP -0.1196 0.0046 -0.0571
|
|
ZnO-1210 TYR -0.2711 -0.0908 -0.1798
|
|
ZnO-1210 VAL 0.3587 0.4924 0.4258
|
|
ZnO-1210 PRP 0.4862 0.6627 0.5750
|
|
ZnO-1210 BUT1 0.4649 0.5411 0.5032
|
|
ZnO-1210 BUT2 0.3861 0.4879 0.4372
|
|
ZnS-110 ALA 0.3065 0.3989 0.3528
|
|
ZnS-110 ARG 0.1509 0.3047 0.2283
|
|
ZnS-110 ASN -0.0591 0.1297 0.0358
|
|
ZnS-110 ASP -3.3030 -2.7298 -2.9931
|
|
ZnS-110 CHL 0.1727 0.3637 0.2687
|
|
ZnS-110 CYM -5.0462 -3.3546 -4.1225
|
|
ZnS-110 CYS 0.1084 0.2019 0.1552
|
|
ZnS-110 DGL -2.0836 -1.5296 -1.7912
|
|
ZnS-110 EST 0.0834 0.2260 0.1549
|
|
ZnS-110 ETA 0.1397 0.3961 0.2730
|
|
ZnS-110 GAN -0.1823 0.0829 -0.0427
|
|
ZnS-110 GLN -0.0997 0.0940 -0.0020
|
|
ZnS-110 GLU -2.7682 -2.4054 -2.5841
|
|
ZnS-110 GLY -1.0593 -0.6841 -0.8591
|
|
ZnS-110 HID -0.0548 0.1289 0.0376
|
|
ZnS-110 HIE -0.0344 0.1128 0.0395
|
|
ZnS-110 HIP 0.0031 0.1838 0.0939
|
|
ZnS-110 ILE 0.0483 0.1456 0.0971
|
|
ZnS-110 LEU -0.0239 0.0670 0.0216
|
|
ZnS-110 LYS 0.2257 0.3996 0.3133
|
|
ZnS-110 MET 0.1127 0.2328 0.1729
|
|
ZnS-110 PHE 0.0508 0.1518 0.1014
|
|
ZnS-110 PHO -1.4304 -0.9566 -1.1849
|
|
ZnS-110 PRO -0.2958 -0.0819 -0.1881
|
|
ZnS-110 SER 0.1958 0.3141 0.2556
|
|
ZnS-110 THR 0.2035 0.3223 0.2634
|
|
ZnS-110 TRP -0.0123 0.1322 0.0603
|
|
ZnS-110 TYR 0.1984 0.3689 0.2844
|
|
ZnS-110 VAL -0.0457 0.0566 0.0055
|
|
ZnS-110 PRP 0.0679 0.1583 0.1132
|
|
ZnS-110 BUT1 0.0443 0.1742 0.1094
|
|
ZnS-110 BUT2 -0.0245 0.1126 0.0442
|
|
ZnS-110-coated ALA -2.7614 -1.5460 -2.1059
|
|
ZnS-110-coated ARG -0.6035 -0.1941 -0.3956
|
|
ZnS-110-coated ASN -0.7248 0.0856 -0.2626
|
|
ZnS-110-coated ASP 0.1660 0.5942 0.3839
|
|
ZnS-110-coated CHL 0.3567 0.6125 0.4854
|
|
ZnS-110-coated CYM 0.2933 0.5789 0.4373
|
|
ZnS-110-coated CYS -4.0028 -2.6785 -3.2835
|
|
ZnS-110-coated DGL -2.6941 -1.6150 -2.0870
|
|
ZnS-110-coated EST -3.1836 -2.2954 -2.6984
|
|
ZnS-110-coated ETA 0.2983 0.6159 0.4586
|
|
ZnS-110-coated GAN -2.4790 -1.5436 -1.9708
|
|
ZnS-110-coated GLN -1.5533 -0.6627 -1.0379
|
|
ZnS-110-coated GLU -0.8029 -0.2504 -0.5210
|
|
ZnS-110-coated GLY -0.5446 -0.1270 -0.3304
|
|
ZnS-110-coated HID -3.2488 -2.5635 -2.8942
|
|
ZnS-110-coated HIE -3.6763 -2.5624 -3.0432
|
|
ZnS-110-coated HIP 0.0997 0.3710 0.2363
|
|
ZnS-110-coated ILE -8.4723 -6.5828 -7.4303
|
|
ZnS-110-coated LEU -8.8564 -6.7997 -7.7080
|
|
ZnS-110-coated LYS 0.2263 0.5825 0.4054
|
|
ZnS-110-coated MET -6.8187 -5.2553 -5.9594
|
|
ZnS-110-coated PHE -7.5260 -5.9632 -6.6793
|
|
ZnS-110-coated PHO -0.3001 0.2128 -0.0390
|
|
ZnS-110-coated PRO -3.0245 -2.0987 -2.5438
|
|
ZnS-110-coated SER -1.0250 0.0030 -0.4260
|
|
ZnS-110-coated THR -1.8738 -0.9593 -1.3736
|
|
ZnS-110-coated TRP -7.6404 -5.8637 -6.6482
|
|
ZnS-110-coated TYR -10.0630 -7.7044 -8.7183
|
|
ZnS-110-coated VAL -5.6957 -4.0216 -4.7973
|
|
ZnS-110-coated PRP -7.9331 -4.6245 -5.9519
|
|
ZnS-110-coated BUT1 -8.3061 -5.8081 -6.9029
|
|
ZnS-110-coated BUT2 -11.1676 -7.4802 -8.9392
|
|
ZnS-NP ALA 0.6910 0.8071 0.7493
|
|
ZnS-NP ARG 0.7764 0.9332 0.8550
|
|
ZnS-NP ASN 0.6373 0.8232 0.7321
|
|
ZnS-NP ASP -32.6913 -28.0242 -30.3385
|
|
ZnS-NP CHL 0.8376 0.9993 0.9191
|
|
ZnS-NP CYM -39.8111 -24.9170 -31.1872
|
|
ZnS-NP CYS 0.6270 0.7212 0.6742
|
|
ZnS-NP DGL 0.0785 0.4422 0.2694
|
|
ZnS-NP EST 0.4217 0.6402 0.5315
|
|
ZnS-NP ETA 1.0768 1.6188 1.3855
|
|
ZnS-NP GAN 0.5123 0.6601 0.5867
|
|
ZnS-NP GLN 0.6316 0.8541 0.7436
|
|
ZnS-NP GLU -44.0299 -34.2419 -39.1151
|
|
ZnS-NP GLY 0.1418 0.2960 0.2202
|
|
ZnS-NP HID 0.5761 0.7610 0.6690
|
|
ZnS-NP HIE 0.5330 0.6659 0.5997
|
|
ZnS-NP HIP 0.8089 0.9421 0.8757
|
|
ZnS-NP ILE 0.6782 0.7894 0.7339
|
|
ZnS-NP LEU 0.6090 0.7345 0.6720
|
|
ZnS-NP LYS 0.8010 0.9261 0.8638
|
|
ZnS-NP MET 0.5657 0.7139 0.6402
|
|
ZnS-NP PHE 0.5872 0.7697 0.6790
|
|
ZnS-NP PHO -1.7638 -1.2882 -1.5191
|
|
ZnS-NP PRO 0.1981 0.5102 0.3564
|
|
ZnS-NP SER 0.6465 0.7586 0.7027
|
|
ZnS-NP THR 0.6680 0.8191 0.7439
|
|
ZnS-NP TRP 0.4433 0.6823 0.5637
|
|
ZnS-NP TYR 0.5205 0.6853 0.6032
|
|
ZnS-NP VAL 0.5490 0.6526 0.6009
|
|
ZnS-NP PRP 0.6868 0.7860 0.7366
|
|
ZnS-NP BUT1 0.6106 0.7335 0.6723
|
|
ZnS-NP BUT2 0.5902 0.7057 0.6481
|
|
CdSe ALA 0.4374 0.5264 0.4822
|
|
CdSe ARG 0.8669 0.9862 0.9268
|
|
CdSe ASN 0.5681 0.7160 0.6578
|
|
CdSe ASP -4.4763 -0.8019 -1.1935
|
|
CdSe CHL 0.3726 0.5346 0.4544
|
|
CdSe CYM -4.4998 0.1193 -0.2976
|
|
CdSe CYS 0.5367 0.6378 0.5875
|
|
CdSe DGL 0.6225 0.7551 0.6892
|
|
CdSe EST 0.3195 0.4113 0.3656
|
|
CdSe ETA 0.7753 0.8431 0.8094
|
|
CdSe GAN 0.7432 0.8370 0.7903
|
|
CdSe GLN 0.6126 0.7628 0.6919
|
|
CdSe GLU -1.2496 1.0141 0.7402
|
|
CdSe GLY 0.4534 0.5712 0.5148
|
|
CdSe HID 0.3733 0.5257 0.4499
|
|
CdSe HIE 0.3823 0.4756 0.4294
|
|
CdSe HIP 0.6779 0.8153 0.7472
|
|
CdSe ILE 0.4144 0.4923 0.4535
|
|
CdSe LEU 0.3260 0.4465 0.3864
|
|
CdSe LYS 0.7454 0.8164 0.7810
|
|
CdSe MET 0.3450 0.4524 0.3998
|
|
CdSe PHE 0.5045 0.6134 0.5592
|
|
CdSe PHO 0.6887 0.8198 0.7548
|
|
CdSe PRO 0.4171 0.5257 0.4717
|
|
CdSe SER 0.5501 0.6808 0.6206
|
|
CdSe THR 0.5688 0.6803 0.6248
|
|
CdSe TRP 0.5035 0.5883 0.5460
|
|
CdSe TYR 0.3228 0.4287 0.3759
|
|
CdSe VAL 0.3407 0.4377 0.3894
|
|
CdSe PRP 0.2625 0.3507 0.3069
|
|
CdSe BUT1 0.2824 0.3815 0.3322
|
|
CdSe BUT2 0.3667 0.4653 0.4163
|
|
|