A0A3Q0KVF7_SCHMA Loading...

Putative z-protein (S1r protein)

AlphaFold DB , UniProt , Accession A0A3Q0KVF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low46.1Very low185 Ų18570.2 Ų70.291%0.91138%0.375SS*.  0120.30-68.7175.684.600107.8L9 S113M1-L9 HydrophobicContact CE-CD1 3.92Å; M1-S113 WeakPolarHBondContact CE-OG 3.44Å
2S45.2Very low47.2Very low71 Ų7167.9 Ų67.950%0.49736%0.357SS..  trans-67.6150.5179.776.90000108.7M4 D5S2-M4 PolarHBondContact O-N 2.89Å; S2-M4 VanDerWaalsContact O-N 3.09Å; S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 VanDerWaalsContact N-OD2 3.13Å; S2-D5 PolarHBondContact O-N 3.32Å; S2-D5 PolarHBondContact OG-OD2 3.22Å
3G45.2Very low48.7Very low35 Ų3566.4 Ų66.436%0.36136%0.355SS..THydrogen-bonded Turntrans-60.4-23.9-176.900000113.5D5 S6 T210G3-D5 VanDerWaalsContact C-N 3.3Å; G3-D5 PolarHBondContact O-N 3.35Å; G3-S6 WeakPolarHBondContact O-CB 3.48Å; G3-S6 PolarHBondContact O-N 3.01Å; G3-T210 VanDerWaalsContact C-CB 3.43Å; G3-T210 WeakPolarHBondContact O-CB 3.23Å; G3-T210 VanDerWaalsContact O-CG2 3.27Å; G3-T210 WeakPolarHBondContact O-CG2 3.35Å
4M40.9Very low50.7Low74 Ų7468.2 Ų68.237%0.36536%0.364SS..THydrogen-bonded Turntrans-65-36.4-178.3-123.1156.8-179.800111.7S2 S6 L7 P206 R207 T210S2-M4 PolarHBondContact O-N 2.89Å; S2-M4 VanDerWaalsContact O-N 3.09Å; M4-S6 PolarHBondContact O-N 3.5Å; M4-L7 PolarHBondContact O-N 3.17Å; M4-P206 HydrophobicContact CE-CB 4.28Å; M4-P206 HydrophobicContact SD-CB 4.43Å; M4-R207 WeakPolarHBondContact CE-O 3.03Å; M4-T210 HydrophobicContact CB-CG2 4.38Å; M4-T210 HydrophobicContact CG-CG2 4.42Å
5D48.4Very low52.9Low53 Ų5370.9 Ų70.928%0.28337%0.374SS..Hα-helixtrans-59-34.5177.5-57.5-50.2000111.4S2 G3 L7 L9S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 VanDerWaalsContact N-OD2 3.13Å; S2-D5 PolarHBondContact O-N 3.32Å; S2-D5 PolarHBondContact OG-OD2 3.22Å; G3-D5 VanDerWaalsContact C-N 3.3Å; G3-D5 PolarHBondContact O-N 3.35Å; D5-L7 PolarHBondContact O-N 3.45Å; D5-L9 HydrophobicContact CB-CD1 4.32Å; D5-L9 VanDerWaalsContact O-CB 3.27Å; D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 WeakPolarHBondContact O-CD1 3.37Å; D5-L9 PolarHBondContact O-N 3.46Å; D5-L9 VanDerWaalsContact O-N 3.08Å
6S45.8Very low55Low39 Ų3967.1 Ų67.127%0.27335%0.354SS..Hα-helixtrans-65-20.3-176.4151.10000114.4G3 M4 L9 Q10G3-S6 WeakPolarHBondContact O-CB 3.48Å; G3-S6 PolarHBondContact O-N 3.01Å; M4-S6 PolarHBondContact O-N 3.5Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; S6-Q10 PolarHBondContact O-N 3.39Å
7L41.3Very low56.9Low6 Ų668.7 Ų68.73%0.03136%0.359CS..Hα-helixtrans-87.7-48.7-174.1-134.5163.1000113.2M4 D5 L9 Q10 Y11 F209 L211 I214M4-L7 PolarHBondContact O-N 3.17Å; D5-L7 PolarHBondContact O-N 3.45Å; L7-L9 PolarHBondContact O-N 2.98Å; L7-Q10 PolarHBondContact O-N 2.99Å; L7-Y11 HydrophobicContact CD2-CD2 4.37Å; L7-Y11 HydrophobicContact CD2-CE2 4.36Å; L7-Y11 PolarHBondContact O-N 2.7Å; L7-F209 WeakPolarHBondContact CD1-O 3.44Å; L7-L211 HydrophobicContact CB-CB 4.32Å; L7-L211 HydrophobicContact CB-CD1 4.33Å; L7-L211 HydrophobicContact CB-CG 4.4Å; L7-L211 HydrophobicContact CD1-CB 4.1Å; L7-L211 HydrophobicContact CD1-CG 4.02Å; L7-L211 HydrophobicContact CD2-CB 4.23Å; L7-L211 HydrophobicContact CD2-CD1 3.43Å; L7-L211 VanDerWaalsContact CD2-CD1 3.43Å; L7-L211 HydrophobicContact CD2-CD2 4.49Å; L7-L211 HydrophobicContact CD2-CG 3.41Å; L7-L211 VanDerWaalsContact CD2-CG 3.41Å; L7-L211 HydrophobicContact CG-CB 3.52Å; L7-L211 HydrophobicContact CG-CD1 3.57Å; L7-L211 HydrophobicContact CG-CG 3.3Å; L7-L211 VanDerWaalsContact CG-N 3.27Å; L7-I214 HydrophobicContact CD1-CD1 3.72Å
8D49.4Very low58.8Low40 Ų4071.7 Ų71.721%0.21437%0.369CS..Hα-helixtrans-60.4-36169.3-72-21000109.3Q10 Y11 R12D8-Q10 PolarHBondContact O-N 3.5Å; D8-Y11 PolarHBondContact O-N 3.09Å; D8-R12 WeakPolarHBondContact O-CA 3.24Å; D8-R12 WeakPolarHBondContact O-CB 3.44Å; D8-R12 WeakPolarHBondContact O-CD 3.49Å; D8-R12 WeakPolarHBondContact O-CG 3.31Å; D8-R12 PolarHBondContact O-N 3.15Å
9L50.3Low60.6Low46 Ų4669.3 Ų69.324%0.24136%0.356CS..Hα-helixtrans-55.2-31.8169.2-104.7128.9000113.6M1 D5 S6 L7 S13 S113M1-L9 HydrophobicContact CE-CD1 3.92Å; D5-L9 HydrophobicContact CB-CD1 4.32Å; D5-L9 VanDerWaalsContact O-CB 3.27Å; D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 WeakPolarHBondContact O-CD1 3.37Å; D5-L9 PolarHBondContact O-N 3.46Å; D5-L9 VanDerWaalsContact O-N 3.08Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; L7-L9 PolarHBondContact O-N 2.98Å; L9-S13 VanDerWaalsContact O-CA 3.25Å; L9-S13 WeakPolarHBondContact O-CA 3.46Å; L9-S13 WeakPolarHBondContact O-CB 3.26Å; L9-S13 PolarHBondContact O-N 3.18Å; L9-S113 WeakPolarHBondContact CD1-OG 3.35Å
10Q47.3Very low62.2Low94 Ų9467.3 Ų67.344%0.43935%0.345SS..Hα-helixtrans-86.1-36.5-179.4-164.6175.4-24.500113.4S6 L7 D8 S13 L14 L211S6-Q10 PolarHBondContact O-N 3.39Å; L7-Q10 PolarHBondContact O-N 2.99Å; D8-Q10 PolarHBondContact O-N 3.5Å; Q10-S13 VanDerWaalsContact C-OG 3.27Å; Q10-S13 WeakPolarHBondContact CA-OG 3.43Å; Q10-S13 CarbonylContact O-C 3.51Å; Q10-S13 WeakPolarHBondContact O-CA 3.49Å; Q10-S13 WeakPolarHBondContact O-CB 3.23Å; Q10-S13 PolarHBondContact O-N 3.25Å; Q10-S13 VanDerWaalsContact O-N 3.14Å; Q10-S13 PolarHBondContact O-OG 2.89Å; Q10-L14 PolarHBondContact O-N 3.07Å; Q10-L211 HydrophobicContact CB-CD1 3.26Å; Q10-L211 HydrophobicContact CG-CD1 3.9Å
11Y49.5Very low63.7Low129 Ų12968.4 Ų68.451%0.50635%0.349SS..Hα-helixtrans-66.4-50.8169.9-85.2-80.9000109.9L7 D8 S13 L14 Q15L7-Y11 HydrophobicContact CD2-CD2 4.37Å; L7-Y11 HydrophobicContact CD2-CE2 4.36Å; L7-Y11 PolarHBondContact O-N 2.7Å; D8-Y11 PolarHBondContact O-N 3.09Å; Y11-S13 PolarHBondContact O-N 2.9Å; Y11-L14 PolarHBondContact O-N 3.09Å; Y11-Q15 PolarHBondContact O-N 3.46Å; Y11-Q15 PolarHBondContact O-OE1 3.06Å
12R59.4Low66.2Low43 Ų4361.1 Ų61.116%0.16231%0.313CS..Hα-helixtrans-49.7-42.7166.7-66.6168.9-177.6-17611109D8 L14 Q15 T16 S113 L201D8-R12 WeakPolarHBondContact O-CA 3.24Å; D8-R12 WeakPolarHBondContact O-CB 3.44Å; D8-R12 WeakPolarHBondContact O-CD 3.49Å; D8-R12 WeakPolarHBondContact O-CG 3.31Å; D8-R12 PolarHBondContact O-N 3.15Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 2.93Å; R12-Q15 PolarHBondContact O-N 3.18Å; R12-T16 HydrophobicContact CB-CG2 4.42Å; R12-T16 WeakPolarHBondContact O-CA 3.42Å; R12-T16 VanDerWaalsContact O-CB 3.24Å; R12-T16 WeakPolarHBondContact O-CB 3.25Å; R12-T16 WeakPolarHBondContact O-CG2 3.47Å; R12-T16 PolarHBondContact O-N 3.44Å; R12-T16 PolarHBondContact O-OG1 3.41Å; R12-S113 PolarHBondContact NH1-O 3.28Å; R12-L201 HydrophobicContact CG-CD2 4.12Å; R12-L201 PolarHBondContact NE-O 3.39Å; R12-L201 VanDerWaalsContact NH2-C 3.35Å; R12-L201 PolarHBondContact NH2-O 2.86Å
13S66.2Low68.5Low48 Ų4857.8 Ų57.834%0.33629%0.29SS..Hα-helixtrans-58-38.5178.582.50000112.4L9 Q10 Y11 T16 H17L9-S13 VanDerWaalsContact O-CA 3.25Å; L9-S13 WeakPolarHBondContact O-CA 3.46Å; L9-S13 WeakPolarHBondContact O-CB 3.26Å; L9-S13 PolarHBondContact O-N 3.18Å; Q10-S13 VanDerWaalsContact C-OG 3.27Å; Q10-S13 WeakPolarHBondContact CA-OG 3.43Å; Q10-S13 CarbonylContact O-C 3.51Å; Q10-S13 WeakPolarHBondContact O-CA 3.49Å; Q10-S13 WeakPolarHBondContact O-CB 3.23Å; Q10-S13 PolarHBondContact O-N 3.25Å; Q10-S13 VanDerWaalsContact O-N 3.14Å; Q10-S13 PolarHBondContact O-OG 2.89Å; Y11-S13 PolarHBondContact O-N 2.9Å; S13-T16 VanDerWaalsContact CA-OG1 3.28Å; S13-T16 WeakPolarHBondContact CA-OG1 3.46Å; S13-T16 PolarHBondContact O-OG1 3.22Å; S13-H17 WeakPolarHBondContact O-CA 3.28Å; S13-H17 WeakPolarHBondContact O-CB 3.46Å; S13-H17 PolarHBondContact O-N 3.47Å
14L77.5Confident70.8Confident92 Ų9258.1 Ų58.148%0.48229%0.294SS..Hα-helixtrans-70.7-46.1-179.5-175.664.1000111.1Q10 Y11 R12 K18Q10-L14 PolarHBondContact O-N 3.07Å; Y11-L14 PolarHBondContact O-N 3.09Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 2.93Å; L14-K18 WeakPolarHBondContact O-CB 3.44Å; L14-K18 WeakPolarHBondContact O-CG 3.44Å; L14-K18 PolarHBondContact O-N 2.77Å
15Q82.8Confident73.4Confident108 Ų10861.8 Ų61.851%0.50530%0.303SS..Hα-helixtrans-67.7-47.5177.8-64.9104.212.600111.5Y11 R12 H17 K18 M19Y11-Q15 PolarHBondContact O-N 3.46Å; Y11-Q15 PolarHBondContact O-OE1 3.06Å; R12-Q15 PolarHBondContact O-N 3.18Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.41Å; Q15-K18 PolarHBondContact O-N 3.14Å; Q15-M19 WeakPolarHBondContact O-CG 3.4Å; Q15-M19 PolarHBondContact O-N 3.36Å
16T86.1Confident75.6Confident10 Ų1059.3 Ų59.36%0.06129%0.29CS..Hα-helixtrans-60.9-42.2175.764.10000110.7R12 S13 K18 M19 E20 Y80 L109R12-T16 HydrophobicContact CB-CG2 4.42Å; R12-T16 WeakPolarHBondContact O-CA 3.42Å; R12-T16 VanDerWaalsContact O-CB 3.24Å; R12-T16 WeakPolarHBondContact O-CB 3.25Å; R12-T16 WeakPolarHBondContact O-CG2 3.47Å; R12-T16 PolarHBondContact O-N 3.44Å; R12-T16 PolarHBondContact O-OG1 3.41Å; S13-T16 VanDerWaalsContact CA-OG1 3.28Å; S13-T16 WeakPolarHBondContact CA-OG1 3.46Å; S13-T16 PolarHBondContact O-OG1 3.22Å; T16-K18 PolarHBondContact O-N 3.25Å; T16-M19 PolarHBondContact O-N 3.16Å; T16-E20 VanDerWaalsContact O-CB 3.25Å; T16-E20 WeakPolarHBondContact O-CB 3.39Å; T16-E20 WeakPolarHBondContact O-CG 3.32Å; T16-E20 PolarHBondContact O-N 3.33Å; T16-Y80 WeakPolarHBondContact CA-OH 3.47Å; T16-Y80 WeakPolarHBondContact CB-OH 3.37Å; T16-Y80 WeakPolarHBondContact CG2-OH 3.4Å; T16-L109 HydrophobicContact CG2-CB 3.91Å
17H87.3Confident77.8Confident95 Ų9561.3 Ų61.344%0.4430%0.298SS..Hα-helixtrans-62.5-42.7176.6-177.473000111.8S13 Q15 E20 Q21S13-H17 WeakPolarHBondContact O-CA 3.28Å; S13-H17 WeakPolarHBondContact O-CB 3.46Å; S13-H17 PolarHBondContact O-N 3.47Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.41Å; H17-E20 PolarHBondContact O-N 3.44Å; H17-Q21 PolarHBondContact CD2-NE2 2.86Å; H17-Q21 PolarHBondContact NE2-NE2 2.85Å; H17-Q21 WeakPolarHBondContact O-CB 3.47Å; H17-Q21 VanDerWaalsContact O-CG 3.29Å; H17-Q21 WeakPolarHBondContact O-CG 3.46Å; H17-Q21 PolarHBondContact O-N 2.83Å
18K91.7Very high80.2Confident122 Ų12263 Ų6353%0.5331%0.311SS..Hα-helixtrans-61.7-45.9174.3-75.8179.9177-170.50111.6L14 Q15 T16 E20 Q21 I22L14-K18 WeakPolarHBondContact O-CB 3.44Å; L14-K18 WeakPolarHBondContact O-CG 3.44Å; L14-K18 PolarHBondContact O-N 2.77Å; Q15-K18 PolarHBondContact O-N 3.14Å; T16-K18 PolarHBondContact O-N 3.25Å; K18-E20 PolarHBondContact O-N 3.11Å; K18-Q21 PolarHBondContact O-N 3.06Å; K18-I22 WeakPolarHBondContact O-CG1 3.45Å; K18-I22 PolarHBondContact O-N 2.94Å; K18-I22 VanDerWaalsContact O-N 3.12Å
19M93.2Very high82Confident26 Ų2671.6 Ų71.613%0.12835%0.346CS..Hα-helixtrans-61.1-44.5176-69.4-174.378.500111.4Q15 T16 Q21 I22 I23 F75 Y78 Y80Q15-M19 WeakPolarHBondContact O-CG 3.4Å; Q15-M19 PolarHBondContact O-N 3.36Å; T16-M19 PolarHBondContact O-N 3.16Å; M19-Q21 PolarHBondContact O-N 2.77Å; M19-I22 WeakPolarHBondContact O-CB 3.26Å; M19-I22 PolarHBondContact O-N 3.49Å; M19-I22 VanDerWaalsContact O-N 3.14Å; M19-I23 WeakPolarHBondContact O-CG1 3.45Å; M19-I23 PolarHBondContact O-N 3.12Å; M19-F75 HydrophobicContact CB-CE1 3.75Å; M19-F75 HydrophobicContact CB-CZ 4.3Å; M19-F75 HydrophobicContact CE-CB 4.34Å; M19-F75 HydrophobicContact CE-CD1 3.42Å; M19-F75 VanDerWaalsContact CE-CD1 3.42Å; M19-F75 HydrophobicContact CE-CD2 4.31Å; M19-F75 HydrophobicContact CE-CE1 3.65Å; M19-F75 HydrophobicContact CE-CE2 4.49Å; M19-F75 HydrophobicContact CE-CG 3.77Å; M19-F75 HydrophobicContact CE-CZ 4.18Å; M19-F75 HydrophobicContact CG-CE1 4.1Å; M19-F75 HydrophobicContact CG-CZ 4.32Å; M19-Y78 HydrophobicContact CE-CD2 3.78Å; M19-Y78 HydrophobicContact CE-CG 4.44Å; M19-Y78 HydrophobicContact SD-CD2 3.75Å; M19-Y78 HydrophobicContact SD-CE2 4.38Å; M19-Y78 HydrophobicContact SD-CG 4.39Å; M19-Y80 HydrophobicContact CB-CD2 4.23Å; M19-Y80 HydrophobicContact CB-CE2 3.79Å; M19-Y80 HydrophobicContact CE-CD2 3.52Å; M19-Y80 HydrophobicContact CE-CE2 3.78Å; M19-Y80 HydrophobicContact CG-CE2 4.38Å; M19-Y80 HydrophobicContact SD-CD2 4.11Å; M19-Y80 HydrophobicContact SD-CE2 3.71Å
20E93.4Very high83.8Confident29 Ų2978.9 Ų78.914%0.13638%0.375CS..Hα-helixtrans-66.9-35.7179.5-71.9168.8-161.700112.8T16 H17 K18 I22 I23 G24 Y80 W108 S110T16-E20 VanDerWaalsContact O-CB 3.25Å; T16-E20 WeakPolarHBondContact O-CB 3.39Å; T16-E20 WeakPolarHBondContact O-CG 3.32Å; T16-E20 PolarHBondContact O-N 3.33Å; H17-E20 PolarHBondContact O-N 3.44Å; K18-E20 PolarHBondContact O-N 3.11Å; E20-I22 VanDerWaalsContact C-N 3.33Å; E20-I23 PolarHBondContact O-N 3.39Å; E20-G24 PolarHBondContact O-N 3.39Å; E20-Y80 HydrophobicContact CG-CD1 4.35Å; E20-Y80 HydrophobicContact CG-CE1 3.39Å; E20-Y80 PolarHBondContact OE1-OH 3.36Å; E20-W108 HydrophobicContact CB-CE3 4.18Å; E20-W108 HydrophobicContact CB-CH2 4.3Å; E20-W108 HydrophobicContact CB-CZ3 3.72Å; E20-W108 HydrophobicContact CG-CD2 4.06Å; E20-W108 HydrophobicContact CG-CE3 3.36Å; E20-W108 HydrophobicContact CG-CH2 4.19Å; E20-W108 HydrophobicContact CG-CZ3 3.43Å; E20-W108 VanDerWaalsContact CG-CZ3 3.43Å; E20-S110 VanDerWaalsContact CD-OG 3.22Å; E20-S110 WeakPolarHBondContact OE1-CB 3.5Å; E20-S110 PolarHBondContact OE1-OG 2.96Å; E20-S110 PolarHBondContact OE2-OG 3.39Å
21Q93.3Very high85.9Confident92 Ų9278.3 Ų78.343%0.4338%0.378SS..Hα-helixtrans-62.3-41.4170.9-77.6-174.5-4.300111.4H17 K18 M19 G24 R25H17-Q21 PolarHBondContact CD2-NE2 2.86Å; H17-Q21 PolarHBondContact NE2-NE2 2.85Å; H17-Q21 WeakPolarHBondContact O-CB 3.47Å; H17-Q21 VanDerWaalsContact O-CG 3.29Å; H17-Q21 WeakPolarHBondContact O-CG 3.46Å; H17-Q21 PolarHBondContact O-N 2.83Å; K18-Q21 PolarHBondContact O-N 3.06Å; M19-Q21 PolarHBondContact O-N 2.77Å; Q21-G24 PolarHBondContact O-N 3.36Å; Q21-R25 WeakPolarHBondContact O-CG 3.38Å; Q21-R25 PolarHBondContact O-N 3.33Å
22I95.2Very high87.9Confident32 Ų3272.8 Ų72.816%0.16436%0.361CS..Hα-helixtrans-64.2-48.2176-66.9164.4000110.1K18 M19 E20 G24 R25 M26 W55 L56 I60 M71 F75K18-I22 WeakPolarHBondContact O-CG1 3.45Å; K18-I22 PolarHBondContact O-N 2.94Å; K18-I22 VanDerWaalsContact O-N 3.12Å; M19-I22 WeakPolarHBondContact O-CB 3.26Å; M19-I22 PolarHBondContact O-N 3.49Å; M19-I22 VanDerWaalsContact O-N 3.14Å; E20-I22 VanDerWaalsContact C-N 3.33Å; I22-G24 VanDerWaalsContact C-N 3.26Å; I22-G24 PolarHBondContact O-N 3.41Å; I22-R25 WeakPolarHBondContact O-CB 3.34Å; I22-R25 PolarHBondContact O-N 3.13Å; I22-R25 VanDerWaalsContact O-N 3.07Å; I22-M26 HydrophobicContact CG2-CE 3.77Å; I22-M26 HydrophobicContact CG2-CG 4.42Å; I22-M26 HydrophobicContact CG2-SD 4.06Å; I22-M26 WeakPolarHBondContact O-CG 3.49Å; I22-M26 PolarHBondContact O-N 3.17Å; I22-W55 HydrophobicContact CG2-CZ3 4.01Å; I22-L56 HydrophobicContact CG2-CD2 4.25Å; I22-I60 HydrophobicContact CD1-CD1 3.74Å; I22-I60 HydrophobicContact CG1-CD1 4.04Å; I22-I60 HydrophobicContact CG2-CD1 4.13Å; I22-M71 HydrophobicContact CD1-CE 4.46Å; I22-F75 HydrophobicContact CB-CE1 4.46Å; I22-F75 HydrophobicContact CB-CZ 3.91Å; I22-F75 HydrophobicContact CD1-CZ 4.04Å; I22-F75 HydrophobicContact CG2-CE1 4.41Å; I22-F75 HydrophobicContact CG2-CE2 4.32Å; I22-F75 HydrophobicContact CG2-CZ 3.68Å
23I95Very high89.5Confident0 Ų071.3 Ų71.30%036%0.356CS..Hα-helixtrans-59-38.6174.6-64.4-63.8000111.4M19 E20 M26 N27 F52 F75 Y80 I81 F102 W108M19-I23 WeakPolarHBondContact O-CG1 3.45Å; M19-I23 PolarHBondContact O-N 3.12Å; E20-I23 PolarHBondContact O-N 3.39Å; I23-M26 HydrophobicContact CD1-SD 4.15Å; I23-M26 PolarHBondContact O-N 3.02Å; I23-N27 WeakPolarHBondContact CG2-ND2 3.43Å; I23-N27 WeakPolarHBondContact O-CB 3.21Å; I23-N27 PolarHBondContact O-N 3.18Å; I23-N27 PolarHBondContact O-ND2 2.89Å; I23-F52 HydrophobicContact CD1-CE2 4.41Å; I23-F52 HydrophobicContact CD1-CZ 4.38Å; I23-F75 HydrophobicContact CD1-CD1 3.65Å; I23-F75 HydrophobicContact CD1-CE1 3.79Å; I23-F75 HydrophobicContact CG1-CD1 3.98Å; I23-F75 HydrophobicContact CG1-CE1 3.76Å; I23-Y80 HydrophobicContact CG1-CD1 4.27Å; I23-Y80 HydrophobicContact CG1-CG 4.34Å; I23-I81 HydrophobicContact CD1-CG2 4.42Å; I23-F102 HydrophobicContact CD1-CD1 3.82Å; I23-F102 HydrophobicContact CD1-CE1 3.62Å; I23-F102 HydrophobicContact CG2-CD1 4.03Å; I23-F102 HydrophobicContact CG2-CE1 4.3Å; I23-W108 HydrophobicContact CG2-CH2 4.29Å; I23-W108 HydrophobicContact CG2-CZ2 3.83Å
24G93.2Very high90.6Very high43 Ų4374.1 Ų74.144%0.44337%0.372SS..Hα-helixtrans-61.7-41.1174.700000112.5E20 Q21 I22 N27 S28E20-G24 PolarHBondContact O-N 3.39Å; Q21-G24 PolarHBondContact O-N 3.36Å; I22-G24 VanDerWaalsContact C-N 3.26Å; I22-G24 PolarHBondContact O-N 3.41Å; G24-N27 PolarHBondContact O-N 3.15Å; G24-S28 PolarHBondContact O-N 2.83Å
25R94.9Very high91Very high150 Ų15073 Ų7357%0.56636%0.364SS*.Hα-helixtrans-68-40.7173.9-70178.2-174.9-169.22.2112Q21 I22 N27 S28 G32 W55Q21-R25 WeakPolarHBondContact O-CG 3.38Å; Q21-R25 PolarHBondContact O-N 3.33Å; I22-R25 WeakPolarHBondContact O-CB 3.34Å; I22-R25 PolarHBondContact O-N 3.13Å; I22-R25 VanDerWaalsContact O-N 3.07Å; R25-N27 VanDerWaalsContact C-N 3.26Å; R25-N27 PolarHBondContact O-N 3.46Å; R25-S28 WeakPolarHBondContact O-CB 3.39Å; R25-S28 PolarHBondContact O-N 3.17Å; R25-S28 VanDerWaalsContact O-N 3.07Å; R25-G32 WeakPolarHBondContact O-CA 3.48Å; R25-W55 HydrophobicContact CB-CH2 3.67Å; R25-W55 HydrophobicContact CB-CZ2 3.87Å
26M95.6Very high91.2Very high1 Ų173.9 Ų73.91%0.00537%0.368CS..Hα-helixtrans-65-28.4176.6-70173.5165.900113I22 I23 S28 G32 I33 F52 W55 L56 F102I22-M26 HydrophobicContact CG2-CE 3.77Å; I22-M26 HydrophobicContact CG2-CG 4.42Å; I22-M26 HydrophobicContact CG2-SD 4.06Å; I22-M26 WeakPolarHBondContact O-CG 3.49Å; I22-M26 PolarHBondContact O-N 3.17Å; I23-M26 HydrophobicContact CD1-SD 4.15Å; I23-M26 PolarHBondContact O-N 3.02Å; M26-S28 VanDerWaalsContact C-N 3.32Å; M26-G32 CarbonylContact O-C 3.55Å; M26-G32 WeakPolarHBondContact O-CA 3.45Å; M26-I33 PolarHBondContact O-N 2.9Å; M26-F52 HydrophobicContact CE-CD1 3.97Å; M26-F52 HydrophobicContact CE-CD2 4.27Å; M26-F52 HydrophobicContact CE-CE1 3.53Å; M26-F52 HydrophobicContact CE-CE2 3.85Å; M26-F52 HydrophobicContact CE-CG 4.35Å; M26-F52 HydrophobicContact CE-CZ 3.46Å; M26-F52 VanDerWaalsContact CE-CZ 3.46Å; M26-F52 HydrophobicContact SD-CD2 4.07Å; M26-F52 HydrophobicContact SD-CE1 4.18Å; M26-F52 HydrophobicContact SD-CE2 3.41Å; M26-F52 WeakPolarHBondContact SD-CE2 3.22Å; M26-F52 HydrophobicContact SD-CZ 3.48Å; M26-F52 WeakPolarHBondContact SD-CZ 3.36Å; M26-W55 HydrophobicContact CB-CZ2 4.41Å; M26-W55 HydrophobicContact CE-CD2 4.09Å; M26-W55 HydrophobicContact CE-CE3 3.2Å; M26-W55 HydrophobicContact CE-CZ3 3.51Å; M26-W55 HydrophobicContact CG-CD2 3.65Å; M26-W55 HydrophobicContact CG-CE3 3.45Å; M26-W55 VanDerWaalsContact CG-CE3 3.45Å; M26-W55 HydrophobicContact CG-CH2 3.6Å; M26-W55 HydrophobicContact CG-CZ2 3.79Å; M26-W55 HydrophobicContact CG-CZ3 3.44Å; M26-W55 VanDerWaalsContact CG-CZ3 3.44Å; M26-W55 HydrophobicContact SD-CE3 4.19Å; M26-W55 HydrophobicContact SD-CZ3 4.29Å; M26-L56 HydrophobicContact CE-CD2 3.42Å; M26-L56 VanDerWaalsContact CE-CD2 3.42Å; M26-L56 HydrophobicContact CE-CG 3.72Å; M26-F102 HydrophobicContact CB-CE1 4.25Å; M26-F102 HydrophobicContact CB-CZ 3.73Å; M26-F102 HydrophobicContact SD-CE1 4.17Å; M26-F102 HydrophobicContact SD-CZ 4.32Å
27N91.7Very high91.2Very high81 Ų8181.7 Ų81.743%0.43340%0.401SS..THydrogen-bonded Turntrans-86.51.7174.2-77.3-65.5000113.7I23 G24 R25 K29 F102I23-N27 WeakPolarHBondContact CG2-ND2 3.43Å; I23-N27 WeakPolarHBondContact O-CB 3.21Å; I23-N27 PolarHBondContact O-N 3.18Å; I23-N27 PolarHBondContact O-ND2 2.89Å; G24-N27 PolarHBondContact O-N 3.15Å; R25-N27 VanDerWaalsContact C-N 3.26Å; R25-N27 PolarHBondContact O-N 3.46Å; N27-K29 PolarHBondContact O-N 3.31Å; N27-F102 WeakPolarHBondContact OD1-CD2 3.34Å; N27-F102 WeakPolarHBondContact OD1-CE2 3.34Å
28S91.7Very high91.4Very high43 Ų4378.8 Ų78.830%0.30139%0.388SS..  trans-63.2131177.4174.20000111G24 R25 M26 K30 T31 G32G24-S28 PolarHBondContact O-N 2.83Å; R25-S28 WeakPolarHBondContact O-CB 3.39Å; R25-S28 PolarHBondContact O-N 3.17Å; R25-S28 VanDerWaalsContact O-N 3.07Å; M26-S28 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 2.81Å; S28-K30 VanDerWaalsContact O-N 3.11Å; S28-K30 PolarHBondContact OG-N 3.21Å; S28-T31 VanDerWaalsContact CB-OG1 3.32Å; S28-T31 WeakPolarHBondContact CB-OG1 3.3Å; S28-T31 PolarHBondContact OG-N 3.19Å; S28-T31 PolarHBondContact OG-OG1 3.35Å; S28-T31 VanDerWaalsContact OG-OG1 3.06Å; S28-G32 WeakPolarHBondContact O-CA 3.4Å; S28-G32 PolarHBondContact O-N 3.2Å
29K87.8Confident91.3Very high220 Ų22078.1 Ų78.196%0.95740%0.396SS*.THydrogen-bonded Turntrans-61.6-21.5177-64.7-173.7179.4-176.20114.1N27N27-K29 PolarHBondContact O-N 3.31Å
30K87.7Confident91.2Very high198 Ų19880.6 Ų80.686%0.86141%0.41SS*.THydrogen-bonded Turntrans-102.1-36.9-174.5-67.5-173.3177.9-175.80113.5S28S28-K30 PolarHBondContact O-N 2.81Å; S28-K30 VanDerWaalsContact O-N 3.11Å; S28-K30 PolarHBondContact OG-N 3.21Å
31T90.2Very high91Very high82 Ų8282 Ų8250%0.50342%0.421SS..THydrogen-bonded Turntrans-127.75.2-169.360.20000112.1S28 W55S28-T31 VanDerWaalsContact CB-OG1 3.32Å; S28-T31 WeakPolarHBondContact CB-OG1 3.3Å; S28-T31 PolarHBondContact OG-N 3.19Å; S28-T31 PolarHBondContact OG-OG1 3.35Å; S28-T31 VanDerWaalsContact OG-OG1 3.06Å; T31-W55 PolarHBondContact O-NE1 3.08Å
32G92.3Very high90.8Very high14 Ų1480 Ų8014%0.14441%0.411CS..SBendtrans-77.3-175.9-178.100000112.6R25 M26 S28R25-G32 WeakPolarHBondContact O-CA 3.48Å; M26-G32 CarbonylContact O-C 3.55Å; M26-G32 WeakPolarHBondContact O-CA 3.45Å; S28-G32 WeakPolarHBondContact O-CA 3.4Å; S28-G32 PolarHBondContact O-N 3.2Å
33I93.4Very high90.6Very high12 Ų1279.6 Ų79.66%0.06241%0.41CS..PPolyproline II helixtrans-64.2139.3172.750.3164.1000110.4M26 H35 F47 T51 W55 F102M26-I33 PolarHBondContact O-N 2.9Å; I33-H35 PolarHBondContact O-N 3.19Å; I33-F47 HydrophobicContact CD1-CB 3.98Å; I33-F47 HydrophobicContact CD1-CD1 3.32Å; I33-F47 HydrophobicContact CD1-CD2 4.3Å; I33-F47 HydrophobicContact CD1-CE1 3.78Å; I33-F47 HydrophobicContact CD1-CG 3.61Å; I33-F47 HydrophobicContact CD1-CZ 4.45Å; I33-T51 HydrophobicContact CB-CG2 4.27Å; I33-T51 HydrophobicContact CG2-CG2 4.43Å; I33-W55 HydrophobicContact CG2-CB 3.66Å; I33-W55 HydrophobicContact CG2-CD2 4.42Å; I33-W55 HydrophobicContact CG2-CG 3.63Å; I33-F102 HydrophobicContact CD1-CD2 4.48Å; I33-F102 HydrophobicContact CD1-CE2 3.34Å; I33-F102 HydrophobicContact CD1-CZ 3.45Å; I33-F102 VanDerWaalsContact CD1-CZ 3.45Å; I33-F102 HydrophobicContact CG1-CE2 3.87Å; I33-F102 HydrophobicContact CG1-CZ 3.97Å
34T88.1Confident90.3Very high107 Ų10783.4 Ų83.466%0.65643%0.427SS*.PPolyproline II helixtrans-78.8119.6176.351.60000109.8
35H87.6Confident90.1Very high67 Ų6789.7 Ų89.731%0.3144%0.439SS..PPolyproline II helixtrans-90.1117.3172.9-64.7-78.3000109.9I33 Y45 A46I33-H35 PolarHBondContact O-N 3.19Å; H35-Y45 PolarHBondContact CE1-O 2.93Å; H35-Y45 PolarHBondContact ND1-O 3.13Å; H35-A46 PolarHBondContact ND1-O 2.95Å
36E85.3Confident90Very high127 Ų12782.7 Ų82.759%0.59341%0.413SS*.PPolyproline II helixtrans-71.5141.6171.4-65-177.8174.100110.2Q38E36-Q38 PolarHBondContact O-N 3.38Å
37F87.9Confident90Very high174 Ų17482.8 Ų82.876%0.76341%0.413SS*.PPolyproline II helixtrans-62.7129.6174.1176.4-96.9000110P39F37-P39 HydrophobicContact CE1-CG 4.47Å
38Q89.7Confident90Very high35 Ų3580.2 Ų80.216%0.16440%0.399CS..  trans-120.4131176.4-65.6-59.7-43.900109.1E36 D40 L43 H44 W99E36-Q38 PolarHBondContact O-N 3.38Å; Q38-D40 PolarHBondContact O-N 3.37Å; Q38-L43 HydrophobicContact CB-CB 3.67Å; Q38-L43 HydrophobicContact CG-CB 3.86Å; Q38-L43 HydrophobicContact CG-CD1 4.44Å; Q38-H44 PolarHBondContact O-CD2 3.45Å; Q38-H44 PolarHBondContact O-NE2 3.17Å; Q38-W99 HydrophobicContact CG-CH2 3.93Å; Q38-W99 HydrophobicContact CG-CZ3 4.25Å
39P91.1Very high89.9Confident108 Ų10878.2 Ų78.270%0.70138%0.384SS*.SBendtrans-63.3-28.3178-22.933000113.6F37 P41F37-P39 HydrophobicContact CE1-CG 4.47Å; P39-P41 WeakPolarHBondContact O-CD 3.25Å
40D90.6Very high90.1Very high77 Ų7769.3 Ų69.341%0.41235%0.352SS..SBendtrans-79117.2177.4-177.4-1.7000110.2Q38 F42 L43Q38-D40 PolarHBondContact O-N 3.37Å; D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.09Å; D40-F42 VanDerWaalsContact OD1-CB 3.23Å; D40-F42 WeakPolarHBondContact OD1-CB 3.44Å; D40-F42 PolarHBondContact OD1-N 2.72Å; D40-L43 HydrophobicContact CB-CD1 4.37Å; D40-L43 HydrophobicContact CB-CG 4.3Å; D40-L43 PolarHBondContact O-N 3.32Å
41P89.4Confident90.4Very high59 Ų5961.4 Ų61.438%0.38332%0.32SS..G310 helixtrans-55.3-28.3175.8-25.736000113.8P39 L43 H44 V175P39-P41 WeakPolarHBondContact O-CD 3.25Å; P41-L43 PolarHBondContact O-N 2.88Å; P41-H44 WeakPolarHBondContact O-CB 3.21Å; P41-H44 PolarHBondContact O-N 2.97Å; P41-V175 HydrophobicContact CB-CG1 4.17Å; P41-V175 HydrophobicContact CB-CG2 4.01Å
42F89Confident90.5Very high50 Ų5057.5 Ų57.522%0.21930%0.296CS..G310 helixtrans-68.4-15.1177-167.8-116.7000113.8D40 I84 R101 V175 N178 I179 L182D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.09Å; D40-F42 VanDerWaalsContact OD1-CB 3.23Å; D40-F42 WeakPolarHBondContact OD1-CB 3.44Å; D40-F42 PolarHBondContact OD1-N 2.72Å; F42-I84 HydrophobicContact CD1-CG2 3.87Å; F42-I84 HydrophobicContact CE1-CG2 3.2Å; F42-I84 HydrophobicContact CZ-CG2 3.74Å; F42-R101 VanDerWaalsContact C-NH2 3.28Å; F42-R101 PolarHBondContact O-NE 3.08Å; F42-R101 PolarHBondContact O-NH2 3.27Å; F42-V175 HydrophobicContact CD2-CG1 4.43Å; F42-N178 HydrophobicContact CD2-CB 4.31Å; F42-N178 HydrophobicContact CE2-CB 3.66Å; F42-N178 HydrophobicContact CZ-CB 4.49Å; F42-I179 HydrophobicContact CD2-CG1 4.07Å; F42-I179 HydrophobicContact CE2-CG1 4.01Å; F42-L182 HydrophobicContact CE1-CD1 4.3Å; F42-L182 HydrophobicContact CE2-CD1 4.19Å; F42-L182 HydrophobicContact CZ-CD1 3.46Å; F42-L182 VanDerWaalsContact CZ-CD1 3.46Å
43L90.9Very high90.6Very high24 Ų2457 Ų5713%0.12629%0.29CS..G310 helixtrans-104.91.4174.7-62.2-179.1000113.5Q38 D40 P41 Y45 A46 I84 W99Q38-L43 HydrophobicContact CB-CB 3.67Å; Q38-L43 HydrophobicContact CG-CB 3.86Å; Q38-L43 HydrophobicContact CG-CD1 4.44Å; D40-L43 HydrophobicContact CB-CD1 4.37Å; D40-L43 HydrophobicContact CB-CG 4.3Å; D40-L43 PolarHBondContact O-N 3.32Å; P41-L43 PolarHBondContact O-N 2.88Å; L43-Y45 PolarHBondContact O-N 3.45Å; L43-A46 HydrophobicContact CB-CB 4.39Å; L43-A46 HydrophobicContact CD2-CB 4.25Å; L43-A46 VanDerWaalsContact O-CB 3.26Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 2.92Å; L43-I84 HydrophobicContact CD2-CD1 4.37Å; L43-W99 HydrophobicContact CD1-CD2 4.41Å; L43-W99 HydrophobicContact CD1-CZ2 4.42Å; L43-W99 HydrophobicContact CD2-CB 4.11Å; L43-W99 HydrophobicContact CD2-CD2 4.08Å; L43-W99 HydrophobicContact CD2-CG 3.89Å
44H88.8Confident90.6Very high80 Ų8058.9 Ų58.937%0.3731%0.305SS..THydrogen-bonded Turntrans-58.2121174.4-70.4176.5000111.6Q38 P41 A46 R101Q38-H44 PolarHBondContact O-CD2 3.45Å; Q38-H44 PolarHBondContact O-NE2 3.17Å; P41-H44 WeakPolarHBondContact O-CB 3.21Å; P41-H44 PolarHBondContact O-N 2.97Å; H44-A46 PolarHBondContact O-N 2.74Å; H44-R101 PolarHBondContact O-NH1 3.16Å; H44-R101 PolarHBondContact O-NH2 3.44Å
45Y89Confident90.9Very high175 Ų17554.4 Ų54.469%0.68628%0.276SS*.THydrogen-bonded Turntrans67.111.8-173.5-48.4-80.1000115.6H35 L43H35-Y45 PolarHBondContact CE1-O 2.93Å; H35-Y45 PolarHBondContact ND1-O 3.13Å; L43-Y45 PolarHBondContact O-N 3.45Å
46A93.4Very high91.2Very high2 Ų251.2 Ų51.22%0.01726%0.261CS..  trans-74.2163.6162.700000110.2H35 L43 H44 I84 W99 Y100 R101H35-A46 PolarHBondContact ND1-O 2.95Å; L43-A46 HydrophobicContact CB-CB 4.39Å; L43-A46 HydrophobicContact CD2-CB 4.25Å; L43-A46 VanDerWaalsContact O-CB 3.26Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 2.92Å; H44-A46 PolarHBondContact O-N 2.74Å; A46-I84 HydrophobicContact CB-CD1 3.45Å; A46-I84 VanDerWaalsContact CB-CD1 3.45Å; A46-W99 HydrophobicContact CB-CE3 3.73Å; A46-W99 HydrophobicContact CB-CZ3 4.4Å; A46-Y100 CarbonylContact C-O 3.55Å; A46-Y100 VanDerWaalsContact CA-O 3.28Å; A46-Y100 WeakPolarHBondContact CA-O 3.41Å; A46-R101 HydrophobicContact CB-CG 4.23Å
47F93.8Very high91.6Very high4 Ų448.9 Ų48.92%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-143155175.154.2-92.1000110.7I33 F52 I81 Y100 F102I33-F47 HydrophobicContact CD1-CB 3.98Å; I33-F47 HydrophobicContact CD1-CD1 3.32Å; I33-F47 HydrophobicContact CD1-CD2 4.3Å; I33-F47 HydrophobicContact CD1-CE1 3.78Å; I33-F47 HydrophobicContact CD1-CG 3.61Å; I33-F47 HydrophobicContact CD1-CZ 4.45Å; F47-F52 HydrophobicContact CD2-CB 4.18Å; F47-F52 HydrophobicContact CD2-CD2 4.26Å; F47-F52 HydrophobicContact CE2-CB 4Å; F47-F52 AromaticContact CE2-CD2 3.45Å; F47-F52 HydrophobicContact CE2-CD2 3.45Å; F47-F52 VanDerWaalsContact CE2-CD2 3.45Å; F47-F52 HydrophobicContact CE2-CE2 4.32Å; F47-F52 HydrophobicContact CE2-CG 4.14Å; F47-F52 AromaticContact CZ-CD2 3.78Å; F47-F52 HydrophobicContact CZ-CD2 3.78Å; F47-F52 HydrophobicContact CZ-CE2 4.26Å; F47-I81 HydrophobicContact CZ-CB 4.34Å; F47-I81 HydrophobicContact CZ-CG2 3.84Å; F47-Y100 VanDerWaalsContact CE2-CB 3.48Å; F47-Y100 HydrophobicContact CE2-CG 4.42Å; F47-Y100 PolarHBondContact N-O 2.94Å; F47-Y100 PolarHBondContact O-N 3.23Å; F47-F102 HydrophobicContact CD1-CE2 4.32Å; F47-F102 HydrophobicContact CE1-CD1 4.27Å; F47-F102 AromaticContact CE1-CD2 3.87Å; F47-F102 HydrophobicContact CE1-CD2 3.87Å; F47-F102 HydrophobicContact CE1-CE1 4.18Å; F47-F102 AromaticContact CE1-CE2 3.79Å; F47-F102 HydrophobicContact CE1-CE2 3.79Å; F47-F102 HydrophobicContact CE1-CG 4.1Å; F47-F102 AromaticContact CE1-CZ 3.92Å; F47-F102 HydrophobicContact CE1-CZ 3.92Å; F47-F102 HydrophobicContact CZ-CD1 4.4Å; F47-F102 HydrophobicContact CZ-CE1 4.2Å; F47-F102 HydrophobicContact CZ-CZ 4.26Å
48Q92.1Very high91.9Very high27 Ų2748 Ų4813%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-83157.9173.6-68.5178.6-10.400110.5A50 T51 K96 W99Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.14Å; Q48-T51 WeakPolarHBondContact O-CB 3.47Å; Q48-T51 PolarHBondContact O-N 3.2Å; Q48-K96 PolarHBondContact NE2-O 3.1Å; Q48-K96 VanDerWaalsContact NE2-O 3.15Å; Q48-W99 HydrophobicContact CG-CD2 4.2Å; Q48-W99 HydrophobicContact CG-CE3 4.1Å; Q48-W99 HydrophobicContact CG-CH2 3.9Å; Q48-W99 HydrophobicContact CG-CZ2 4.01Å; Q48-W99 HydrophobicContact CG-CZ3 3.96Å
49G90.2Very high92.1Very high0 Ų049.7 Ų49.70%026%0.258CS..Hα-helixtrans-57.6-41.3-178.700000113.7T51 F52 V53G49-T51 VanDerWaalsContact C-N 3.32Å; G49-T51 PolarHBondContact O-N 2.91Å; G49-F52 PolarHBondContact O-N 3.37Å; G49-V53 PolarHBondContact O-N 3.45Å
50A91.9Very high92.1Very high33 Ų3346.1 Ų46.127%0.27323%0.233SC..Hα-helixtrans-59.7-38.9178.800000112.9Q48 F52 V53 S54 L94Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.14Å; A50-F52 VanDerWaalsContact C-N 3.27Å; A50-F52 PolarHBondContact O-N 2.56Å; A50-V53 PolarHBondContact O-N 3.44Å; A50-S54 WeakPolarHBondContact O-CB 3.24Å; A50-S54 PolarHBondContact O-N 3.11Å; A50-S54 PolarHBondContact O-OG 2.9Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; A50-L94 HydrophobicContact CB-CD1 4.06Å; A50-L94 HydrophobicContact CB-CG 4.42Å
51T93.5Very high92.1Very high32 Ų3248.5 Ų48.520%0.19625%0.253CS..Hα-helixtrans-59.8-38.6178.3-48.30000112I33 Q48 G49 W55I33-T51 HydrophobicContact CB-CG2 4.27Å; I33-T51 HydrophobicContact CG2-CG2 4.43Å; Q48-T51 WeakPolarHBondContact O-CB 3.47Å; Q48-T51 PolarHBondContact O-N 3.2Å; G49-T51 VanDerWaalsContact C-N 3.32Å; G49-T51 PolarHBondContact O-N 2.91Å; T51-W55 WeakPolarHBondContact O-CB 3.35Å; T51-W55 PolarHBondContact O-N 3.48Å; T51-W55 VanDerWaalsContact O-N 3.14Å
52F93.5Very high91.9Very high0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-71.3-44.1178.9-164.8-76.8000111.5I23 M26 F47 G49 A50 W55 L56 T72 F75 I81 F102I23-F52 HydrophobicContact CD1-CE2 4.41Å; I23-F52 HydrophobicContact CD1-CZ 4.38Å; M26-F52 HydrophobicContact CE-CD1 3.97Å; M26-F52 HydrophobicContact CE-CD2 4.27Å; M26-F52 HydrophobicContact CE-CE1 3.53Å; M26-F52 HydrophobicContact CE-CE2 3.85Å; M26-F52 HydrophobicContact CE-CG 4.35Å; M26-F52 HydrophobicContact CE-CZ 3.46Å; M26-F52 VanDerWaalsContact CE-CZ 3.46Å; M26-F52 HydrophobicContact SD-CD2 4.07Å; M26-F52 HydrophobicContact SD-CE1 4.18Å; M26-F52 HydrophobicContact SD-CE2 3.41Å; M26-F52 WeakPolarHBondContact SD-CE2 3.22Å; M26-F52 HydrophobicContact SD-CZ 3.48Å; M26-F52 WeakPolarHBondContact SD-CZ 3.36Å; F47-F52 HydrophobicContact CD2-CB 4.18Å; F47-F52 HydrophobicContact CD2-CD2 4.26Å; F47-F52 HydrophobicContact CE2-CB 4Å; F47-F52 AromaticContact CE2-CD2 3.45Å; F47-F52 HydrophobicContact CE2-CD2 3.45Å; F47-F52 VanDerWaalsContact CE2-CD2 3.45Å; F47-F52 HydrophobicContact CE2-CE2 4.32Å; F47-F52 HydrophobicContact CE2-CG 4.14Å; F47-F52 AromaticContact CZ-CD2 3.78Å; F47-F52 HydrophobicContact CZ-CD2 3.78Å; F47-F52 HydrophobicContact CZ-CE2 4.26Å; G49-F52 PolarHBondContact O-N 3.37Å; A50-F52 VanDerWaalsContact C-N 3.27Å; A50-F52 PolarHBondContact O-N 2.56Å; F52-W55 PolarHBondContact O-N 3.42Å; F52-L56 HydrophobicContact CD1-CD1 3.84Å; F52-L56 HydrophobicContact CD1-CG 4.14Å; F52-L56 HydrophobicContact CE1-CD1 3.75Å; F52-L56 HydrophobicContact CE1-CD2 4.47Å; F52-L56 HydrophobicContact CE1-CG 4.1Å; F52-L56 WeakPolarHBondContact O-CG 3.49Å; F52-L56 PolarHBondContact O-N 2.97Å; F52-L56 VanDerWaalsContact O-N 3.07Å; F52-T72 HydrophobicContact CB-CG2 4.39Å; F52-T72 HydrophobicContact CD1-CG2 3.41Å; F52-T72 VanDerWaalsContact CD1-CG2 3.41Å; F52-T72 VanDerWaalsContact CD1-OG1 3.26Å; F52-T72 WeakPolarHBondContact CD1-OG1 3.43Å; F52-T72 HydrophobicContact CE1-CG2 3.78Å; F52-T72 HydrophobicContact CG-CG2 4.02Å; F52-F75 HydrophobicContact CE1-CB 4.39Å; F52-F75 AromaticContact CE1-CD2 3.75Å; F52-F75 HydrophobicContact CE1-CD2 3.75Å; F52-F75 HydrophobicContact CE1-CE2 4.35Å; F52-F75 HydrophobicContact CE1-CG 4.2Å; F52-F75 HydrophobicContact CZ-CB 3.97Å; F52-F75 HydrophobicContact CZ-CD1 4.35Å; F52-F75 AromaticContact CZ-CD2 3.75Å; F52-F75 HydrophobicContact CZ-CD2 3.75Å; F52-F75 HydrophobicContact CZ-CE2 4.36Å; F52-F75 AromaticContact CZ-CG 3.77Å; F52-F75 HydrophobicContact CZ-CG 3.77Å; F52-I81 HydrophobicContact CD2-CD1 4.5Å; F52-I81 HydrophobicContact CD2-CG2 4.46Å; F52-I81 HydrophobicContact CE2-CD1 4.25Å; F52-I81 HydrophobicContact CE2-CG2 3.73Å; F52-I81 HydrophobicContact CZ-CD1 4.41Å; F52-I81 HydrophobicContact CZ-CG2 4.35Å; F52-F102 HydrophobicContact CD2-CE1 4.46Å; F52-F102 AromaticContact CE2-CE1 3.85Å; F52-F102 HydrophobicContact CE2-CE1 3.85Å; F52-F102 HydrophobicContact CE2-CZ 4.42Å
53V93.8Very high91.6Very high3 Ų352.1 Ų52.12%0.01827%0.272CS..Hα-helixtrans-63.7-47.6178.7176.60000110.8G49 A50 W55 L56 Q57 E65 A68 L69 F92 L94G49-V53 PolarHBondContact O-N 3.45Å; A50-V53 PolarHBondContact O-N 3.44Å; V53-W55 VanDerWaalsContact C-N 3.33Å; V53-W55 PolarHBondContact O-N 3.42Å; V53-L56 WeakPolarHBondContact O-CB 3.26Å; V53-L56 PolarHBondContact O-N 2.63Å; V53-L56 VanDerWaalsContact O-N 3.13Å; V53-Q57 WeakPolarHBondContact O-CG 3.41Å; V53-Q57 PolarHBondContact O-N 3.49Å; V53-E65 HydrophobicContact CG1-CG 4.32Å; V53-A68 HydrophobicContact CG1-CB 3.96Å; V53-L69 HydrophobicContact CG2-CD1 4.27Å; V53-F92 HydrophobicContact CG2-CE1 4.03Å; V53-F92 HydrophobicContact CG2-CZ 4.31Å; V53-L94 HydrophobicContact CB-CD1 4.32Å; V53-L94 HydrophobicContact CG2-CD1 3.9Å
54S92.7Very high91.4Very high52 Ų5255 Ų5536%0.36429%0.288SS..Hα-helixtrans-61.1-41.2177.5-59.40000112.1A50 L56 Q57 E58A50-S54 WeakPolarHBondContact O-CB 3.24Å; A50-S54 PolarHBondContact O-N 3.11Å; A50-S54 PolarHBondContact O-OG 2.9Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 3.45Å; S54-Q57 PolarHBondContact O-N 3.44Å; S54-E58 WeakPolarHBondContact O-CG 3.49Å; S54-E58 PolarHBondContact O-N 2.88Å
55W94.9Very high91.4Very high14 Ų1456.1 Ų56.15%0.05329%0.293CS..Hα-helixtrans-61.3-40.2175.8-172.196.3000112.1I22 R25 M26 T31 I33 T51 F52 V53 E58 N59I22-W55 HydrophobicContact CG2-CZ3 4.01Å; R25-W55 HydrophobicContact CB-CH2 3.67Å; R25-W55 HydrophobicContact CB-CZ2 3.87Å; M26-W55 HydrophobicContact CB-CZ2 4.41Å; M26-W55 HydrophobicContact CE-CD2 4.09Å; M26-W55 HydrophobicContact CE-CE3 3.2Å; M26-W55 HydrophobicContact CE-CZ3 3.51Å; M26-W55 HydrophobicContact CG-CD2 3.65Å; M26-W55 HydrophobicContact CG-CE3 3.45Å; M26-W55 VanDerWaalsContact CG-CE3 3.45Å; M26-W55 HydrophobicContact CG-CH2 3.6Å; M26-W55 HydrophobicContact CG-CZ2 3.79Å; M26-W55 HydrophobicContact CG-CZ3 3.44Å; M26-W55 VanDerWaalsContact CG-CZ3 3.44Å; M26-W55 HydrophobicContact SD-CE3 4.19Å; M26-W55 HydrophobicContact SD-CZ3 4.29Å; T31-W55 PolarHBondContact O-NE1 3.08Å; I33-W55 HydrophobicContact CG2-CB 3.66Å; I33-W55 HydrophobicContact CG2-CD2 4.42Å; I33-W55 HydrophobicContact CG2-CG 3.63Å; T51-W55 WeakPolarHBondContact O-CB 3.35Å; T51-W55 PolarHBondContact O-N 3.48Å; T51-W55 VanDerWaalsContact O-N 3.14Å; F52-W55 PolarHBondContact O-N 3.42Å; V53-W55 VanDerWaalsContact C-N 3.33Å; V53-W55 PolarHBondContact O-N 3.42Å; W55-E58 PolarHBondContact O-N 3.22Å; W55-N59 HydrophobicContact CD2-CB 4.25Å; W55-N59 HydrophobicContact CE3-CB 4.04Å; W55-N59 HydrophobicContact CH2-CB 3.82Å; W55-N59 HydrophobicContact CZ2-CB 4.01Å; W55-N59 HydrophobicContact CZ3-CB 3.82Å; W55-N59 WeakPolarHBondContact O-CB 3.39Å; W55-N59 PolarHBondContact O-N 3.41Å; W55-N59 VanDerWaalsContact O-N 3.07Å; W55-N59 PolarHBondContact O-ND2 3.04Å
56L94.8Very high91.6Very high0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-61.3-48.2175.7-74.9174.1000111.3I22 M26 F52 V53 S54 E58 N59 I60 A68 M71 T72 F75I22-L56 HydrophobicContact CG2-CD2 4.25Å; M26-L56 HydrophobicContact CE-CD2 3.42Å; M26-L56 VanDerWaalsContact CE-CD2 3.42Å; M26-L56 HydrophobicContact CE-CG 3.72Å; F52-L56 HydrophobicContact CD1-CD1 3.84Å; F52-L56 HydrophobicContact CD1-CG 4.14Å; F52-L56 HydrophobicContact CE1-CD1 3.75Å; F52-L56 HydrophobicContact CE1-CD2 4.47Å; F52-L56 HydrophobicContact CE1-CG 4.1Å; F52-L56 WeakPolarHBondContact O-CG 3.49Å; F52-L56 PolarHBondContact O-N 2.97Å; F52-L56 VanDerWaalsContact O-N 3.07Å; V53-L56 WeakPolarHBondContact O-CB 3.26Å; V53-L56 PolarHBondContact O-N 2.63Å; V53-L56 VanDerWaalsContact O-N 3.13Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 3.45Å; L56-E58 VanDerWaalsContact C-N 3.25Å; L56-E58 PolarHBondContact O-N 3.42Å; L56-N59 PolarHBondContact O-N 2.9Å; L56-I60 HydrophobicContact CD2-CD1 3.48Å; L56-I60 VanDerWaalsContact CD2-CD1 3.48Å; L56-I60 HydrophobicContact CD2-CG1 4.28Å; L56-I60 WeakPolarHBondContact O-CA 3.17Å; L56-I60 WeakPolarHBondContact O-CB 3.48Å; L56-I60 PolarHBondContact O-N 3.19Å; L56-A68 HydrophobicContact CB-CB 4.21Å; L56-A68 WeakPolarHBondContact CD1-O 3.44Å; L56-M71 HydrophobicContact CD1-CB 3.93Å; L56-M71 HydrophobicContact CD2-CE 4.23Å; L56-T72 VanDerWaalsContact CD1-OG1 3.24Å; L56-T72 WeakPolarHBondContact CD1-OG1 3.2Å; L56-F75 HydrophobicContact CD2-CE2 4.43Å
57Q93.5Very high91.5Very high77 Ų7757.3 Ų57.336%0.3630%0.304SS..Hα-helixtrans-61.8-33.4-179.8-67.1178.6-68.900112.8V53 S54 A68V53-Q57 WeakPolarHBondContact O-CG 3.41Å; V53-Q57 PolarHBondContact O-N 3.49Å; S54-Q57 PolarHBondContact O-N 3.44Å; Q57-A68 HydrophobicContact CG-CB 3.6Å
58E93Very high91.5Very high156 Ų15657.1 Ų57.173%0.72930%0.304SS*.Hα-helixtrans-78.6-29.2178.9-71.7174.9-174.400113.5S54 W55 L56S54-E58 WeakPolarHBondContact O-CG 3.49Å; S54-E58 PolarHBondContact O-N 2.88Å; W55-E58 PolarHBondContact O-N 3.22Å; L56-E58 VanDerWaalsContact C-N 3.25Å; L56-E58 PolarHBondContact O-N 3.42Å
59N94.1Very high91.6Very high70 Ų7057.7 Ų57.737%0.37431%0.308SS..Hα-helixtrans-113.3-11.5-169.6-69.1-91.6000114.4W55 L56W55-N59 HydrophobicContact CD2-CB 4.25Å; W55-N59 HydrophobicContact CE3-CB 4.04Å; W55-N59 HydrophobicContact CH2-CB 3.82Å; W55-N59 HydrophobicContact CZ2-CB 4.01Å; W55-N59 HydrophobicContact CZ3-CB 3.82Å; W55-N59 WeakPolarHBondContact O-CB 3.39Å; W55-N59 PolarHBondContact O-N 3.41Å; W55-N59 VanDerWaalsContact O-N 3.07Å; W55-N59 PolarHBondContact O-ND2 3.04Å; L56-N59 PolarHBondContact O-N 2.9Å
60I92.1Very high91.7Very high34 Ų3462.7 Ų62.717%0.17433%0.33CS..SBendtrans-128.9131.8-179.8-54.3-168.4000107.6I22 L56 T62 M71I22-I60 HydrophobicContact CD1-CD1 3.74Å; I22-I60 HydrophobicContact CG1-CD1 4.04Å; I22-I60 HydrophobicContact CG2-CD1 4.13Å; L56-I60 HydrophobicContact CD2-CD1 3.48Å; L56-I60 VanDerWaalsContact CD2-CD1 3.48Å; L56-I60 HydrophobicContact CD2-CG1 4.28Å; L56-I60 WeakPolarHBondContact O-CA 3.17Å; L56-I60 WeakPolarHBondContact O-CB 3.48Å; L56-I60 PolarHBondContact O-N 3.19Å; I60-T62 VanDerWaalsContact C-N 3.26Å; I60-T62 HydrophobicContact CB-CG2 4.46Å; I60-T62 HydrophobicContact CG2-CG2 4.22Å; I60-T62 PolarHBondContact O-N 2.77Å; I60-M71 HydrophobicContact CD1-CE 3.8Å; I60-M71 HydrophobicContact CG2-CE 4.36Å
61P89.4Confident91.8Very high126 Ų12662.9 Ų62.982%0.81833%0.326SS*.  trans-70.685.8177.430.2-34.5000109.5
62T86.5Confident91.7Very high25 Ų2561.4 Ų61.415%0.15332%0.317CS..  trans-96.9136.8170.955.70000109.3I60 E67 A68 M71I60-T62 VanDerWaalsContact C-N 3.26Å; I60-T62 HydrophobicContact CB-CG2 4.46Å; I60-T62 HydrophobicContact CG2-CG2 4.22Å; I60-T62 PolarHBondContact O-N 2.77Å; T62-E67 WeakPolarHBondContact CA-OE2 3.36Å; T62-E67 WeakPolarHBondContact CB-OE2 3.38Å; T62-E67 HydrophobicContact CG2-CG 4.2Å; T62-A68 HydrophobicContact CG2-CB 4.31Å; T62-M71 HydrophobicContact CG2-SD 3.96Å
63D81.8Confident91.7Very high160 Ų16064.8 Ų64.886%0.85633%0.333SS*.SBendtrans-70.8-33.1-177.4-71.3-32.1000111.8E67D63-E67 PolarHBondContact N-OE2 3.39Å
64D86.4Confident91.6Very high86 Ų8667.4 Ų67.446%0.4635%0.347SS..SBendtrans-147.3174.2178.271.228.2000114.1Q66 E67D64-Q66 VanDerWaalsContact C-N 3.29Å; D64-Q66 PolarHBondContact O-N 3.38Å; D64-Q66 WeakPolarHBondContact OD1-CA 3.47Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.18Å; D64-Q66 PolarHBondContact OD1-N 3.15Å; D64-E67 PolarHBondContact OD1-N 2.62Å
65E89.9Confident91.6Very high102 Ų10265.1 Ų65.148%0.47733%0.33SS..Hα-helixtrans-67-27.9176.9-171.8-178.7173.800112.8V53 A68 L69V53-E65 HydrophobicContact CG1-CG 4.32Å; E65-A68 PolarHBondContact O-N 3.43Å; E65-L69 WeakPolarHBondContact O-CB 3.01Å; E65-L69 PolarHBondContact O-N 2.9Å
66Q91.7Very high91.5Very high123 Ų12365.7 Ų65.758%0.57533%0.334SS*.Hα-helixtrans-70.1-36.8-179.6-64-61.4-42.600111.2D64 L69 H70D64-Q66 VanDerWaalsContact C-N 3.29Å; D64-Q66 PolarHBondContact O-N 3.38Å; D64-Q66 WeakPolarHBondContact OD1-CA 3.47Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.18Å; D64-Q66 PolarHBondContact OD1-N 3.15Å; Q66-L69 PolarHBondContact O-N 3.37Å; Q66-H70 VanDerWaalsContact O-CB 3.31Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 3Å
67E93.1Very high91.2Very high79 Ų7970.3 Ų70.337%0.36935%0.354SS..Hα-helixtrans-61.8-48.1172.9-173.4179-165.800110.8T62 D63 D64 L69 H70 M71T62-E67 WeakPolarHBondContact CA-OE2 3.36Å; T62-E67 WeakPolarHBondContact CB-OE2 3.38Å; T62-E67 HydrophobicContact CG2-CG 4.2Å; D63-E67 PolarHBondContact N-OE2 3.39Å; D64-E67 PolarHBondContact OD1-N 2.62Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 2.94Å; E67-H70 PolarHBondContact O-N 2.88Å; E67-M71 WeakPolarHBondContact O-CG 3.44Å; E67-M71 PolarHBondContact O-N 3.05Å
68A93.4Very high91Very high0 Ų070.1 Ų70.10%035%0.351CS..Hα-helixtrans-62.7-39.8177.300000112.6V53 L56 Q57 T62 E65 M71 T72V53-A68 HydrophobicContact CG1-CB 3.96Å; L56-A68 HydrophobicContact CB-CB 4.21Å; L56-A68 WeakPolarHBondContact CD1-O 3.44Å; Q57-A68 HydrophobicContact CG-CB 3.6Å; T62-A68 HydrophobicContact CG2-CB 4.31Å; E65-A68 PolarHBondContact O-N 3.43Å; A68-M71 PolarHBondContact O-N 3.13Å; A68-T72 PolarHBondContact O-N 3.4Å; A68-T72 PolarHBondContact O-OG1 3.41Å
69L93Very high90.9Very high40 Ų4063 Ų6321%0.20932%0.32CS..Hα-helixtrans-62.5-47.2174.3-177.666000111.2V53 E65 Q66 E67 M71 T72 E73 F92V53-L69 HydrophobicContact CG2-CD1 4.27Å; E65-L69 WeakPolarHBondContact O-CB 3.01Å; E65-L69 PolarHBondContact O-N 2.9Å; Q66-L69 PolarHBondContact O-N 3.37Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 2.94Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 2.91Å; L69-T72 WeakPolarHBondContact O-CB 3.38Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 VanDerWaalsContact O-N 3.11Å; L69-E73 PolarHBondContact O-N 3.47Å; L69-F92 HydrophobicContact CD1-CD1 3.58Å; L69-F92 HydrophobicContact CD1-CE1 3.72Å
70H92.5Very high90.9Very high104 Ų10459.8 Ų59.848%0.48130%0.302SS..Hα-helixtrans-61.5-42.7177.3-176.659.2000111.6Q66 E67 T72 E73 L74Q66-H70 VanDerWaalsContact O-CB 3.31Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 3Å; E67-H70 PolarHBondContact O-N 2.88Å; H70-T72 VanDerWaalsContact C-N 3.27Å; H70-T72 PolarHBondContact O-N 3.4Å; H70-E73 WeakPolarHBondContact O-CB 3.3Å; H70-E73 PolarHBondContact O-N 2.91Å; H70-L74 WeakPolarHBondContact O-CG 3.43Å; H70-L74 PolarHBondContact O-N 2.89Å
71M93.4Very high91.1Very high38 Ų3858.2 Ų58.219%0.18729%0.294CS..Hα-helixtrans-57.2-43.1173.4-73.8-176.870.200111.4I22 L56 I60 T62 E67 A68 L69 E73 L74 F75I22-M71 HydrophobicContact CD1-CE 4.46Å; L56-M71 HydrophobicContact CD1-CB 3.93Å; L56-M71 HydrophobicContact CD2-CE 4.23Å; I60-M71 HydrophobicContact CD1-CE 3.8Å; I60-M71 HydrophobicContact CG2-CE 4.36Å; T62-M71 HydrophobicContact CG2-SD 3.96Å; E67-M71 WeakPolarHBondContact O-CG 3.44Å; E67-M71 PolarHBondContact O-N 3.05Å; A68-M71 PolarHBondContact O-N 3.13Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 2.91Å; M71-E73 PolarHBondContact O-N 3.14Å; M71-L74 WeakPolarHBondContact O-CB 3.4Å; M71-L74 PolarHBondContact O-N 3.07Å; M71-L74 VanDerWaalsContact O-N 3.12Å; M71-F75 WeakPolarHBondContact O-CD2 3.44Å; M71-F75 PolarHBondContact O-N 3.26Å
72T93.4Very high91.2Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-65.1-39.9178.6-53.50000112.2F52 L56 A68 L69 H70 L74 F75 L76 I81 F92F52-T72 HydrophobicContact CB-CG2 4.39Å; F52-T72 HydrophobicContact CD1-CG2 3.41Å; F52-T72 VanDerWaalsContact CD1-CG2 3.41Å; F52-T72 VanDerWaalsContact CD1-OG1 3.26Å; F52-T72 WeakPolarHBondContact CD1-OG1 3.43Å; F52-T72 HydrophobicContact CE1-CG2 3.78Å; F52-T72 HydrophobicContact CG-CG2 4.02Å; L56-T72 VanDerWaalsContact CD1-OG1 3.24Å; L56-T72 WeakPolarHBondContact CD1-OG1 3.2Å; A68-T72 PolarHBondContact O-N 3.4Å; A68-T72 PolarHBondContact O-OG1 3.41Å; L69-T72 WeakPolarHBondContact O-CB 3.38Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 VanDerWaalsContact O-N 3.11Å; H70-T72 VanDerWaalsContact C-N 3.27Å; H70-T72 PolarHBondContact O-N 3.4Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 3.04Å; T72-F75 PolarHBondContact O-N 2.78Å; T72-F75 VanDerWaalsContact O-N 3.16Å; T72-L76 PolarHBondContact O-N 2.92Å; T72-I81 HydrophobicContact CG2-CD1 4.09Å; T72-F92 HydrophobicContact CG2-CD1 4.23Å; T72-F92 HydrophobicContact CG2-CD2 3.73Å; T72-F92 HydrophobicContact CG2-CE1 3.84Å; T72-F92 HydrophobicContact CG2-CE2 3.3Å; T72-F92 HydrophobicContact CG2-CG 4.17Å; T72-F92 HydrophobicContact CG2-CZ 3.32Å
73E92Very high91.5Very high72 Ų7253.5 Ų53.534%0.33626%0.257SS..Hα-helixtrans-57.9-40171.1-76-175160.600112L69 H70 M71 L76 F77 F92L69-E73 PolarHBondContact O-N 3.47Å; H70-E73 WeakPolarHBondContact O-CB 3.3Å; H70-E73 PolarHBondContact O-N 2.91Å; M71-E73 PolarHBondContact O-N 3.14Å; E73-L76 PolarHBondContact O-N 2.86Å; E73-F77 WeakPolarHBondContact O-CB 3.37Å; E73-F77 PolarHBondContact O-N 3.11Å; E73-F92 HydrophobicContact CG-CB 3.58Å; E73-F92 HydrophobicContact CG-CG 4.47Å
74L91.6Very high91.9Very high58 Ų5846.7 Ų46.730%0.30422%0.221SC..Hα-helixtrans-64.6-40.7174.8-64.4175.7000111.9H70 M71 T72 L76 F77 Y78H70-L74 WeakPolarHBondContact O-CG 3.43Å; H70-L74 PolarHBondContact O-N 2.89Å; M71-L74 WeakPolarHBondContact O-CB 3.4Å; M71-L74 PolarHBondContact O-N 3.07Å; M71-L74 VanDerWaalsContact O-N 3.12Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 3.04Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.11Å; L74-F77 PolarHBondContact O-N 3.5Å; L74-Y78 HydrophobicContact CB-CD2 4.16Å; L74-Y78 HydrophobicContact CB-CE2 4.15Å; L74-Y78 HydrophobicContact CD2-CE2 4.02Å; L74-Y78 WeakPolarHBondContact O-CB 3.43Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å; L74-Y78 PolarHBondContact O-N 2.67Å
75F93.7Very high91.8Very high4 Ų444.3 Ų44.32%0.01821%0.209CC..Hα-helixtrans-61.7-38.7175.1-78.6-77.9000112.7M19 I22 I23 F52 L56 M71 T72 G79 Y80 I81M19-F75 HydrophobicContact CB-CE1 3.75Å; M19-F75 HydrophobicContact CB-CZ 4.3Å; M19-F75 HydrophobicContact CE-CB 4.34Å; M19-F75 HydrophobicContact CE-CD1 3.42Å; M19-F75 VanDerWaalsContact CE-CD1 3.42Å; M19-F75 HydrophobicContact CE-CD2 4.31Å; M19-F75 HydrophobicContact CE-CE1 3.65Å; M19-F75 HydrophobicContact CE-CE2 4.49Å; M19-F75 HydrophobicContact CE-CG 3.77Å; M19-F75 HydrophobicContact CE-CZ 4.18Å; M19-F75 HydrophobicContact CG-CE1 4.1Å; M19-F75 HydrophobicContact CG-CZ 4.32Å; I22-F75 HydrophobicContact CB-CE1 4.46Å; I22-F75 HydrophobicContact CB-CZ 3.91Å; I22-F75 HydrophobicContact CD1-CZ 4.04Å; I22-F75 HydrophobicContact CG2-CE1 4.41Å; I22-F75 HydrophobicContact CG2-CE2 4.32Å; I22-F75 HydrophobicContact CG2-CZ 3.68Å; I23-F75 HydrophobicContact CD1-CD1 3.65Å; I23-F75 HydrophobicContact CD1-CE1 3.79Å; I23-F75 HydrophobicContact CG1-CD1 3.98Å; I23-F75 HydrophobicContact CG1-CE1 3.76Å; F52-F75 HydrophobicContact CE1-CB 4.39Å; F52-F75 AromaticContact CE1-CD2 3.75Å; F52-F75 HydrophobicContact CE1-CD2 3.75Å; F52-F75 HydrophobicContact CE1-CE2 4.35Å; F52-F75 HydrophobicContact CE1-CG 4.2Å; F52-F75 HydrophobicContact CZ-CB 3.97Å; F52-F75 HydrophobicContact CZ-CD1 4.35Å; F52-F75 AromaticContact CZ-CD2 3.75Å; F52-F75 HydrophobicContact CZ-CD2 3.75Å; F52-F75 HydrophobicContact CZ-CE2 4.36Å; F52-F75 AromaticContact CZ-CG 3.77Å; F52-F75 HydrophobicContact CZ-CG 3.77Å; L56-F75 HydrophobicContact CD2-CE2 4.43Å; M71-F75 WeakPolarHBondContact O-CD2 3.44Å; M71-F75 PolarHBondContact O-N 3.26Å; T72-F75 PolarHBondContact O-N 2.78Å; T72-F75 VanDerWaalsContact O-N 3.16Å; F75-G79 PolarHBondContact O-N 3.27Å; F75-Y80 HydrophobicContact CD1-CD2 4.21Å; F75-Y80 HydrophobicContact CD1-CG 4.24Å; F75-Y80 PolarHBondContact O-N 3.43Å; F75-I81 HydrophobicContact CB-CD1 4.17Å; F75-I81 HydrophobicContact CB-CG1 4.15Å; F75-I81 PolarHBondContact O-N 2.97Å
76L92Very high91Very high26 Ų2647.2 Ų47.214%0.13623%0.228CC..Hα-helixtrans-68.2-47.2173.9179.565000111.1T72 E73 L74 Y78 G79 I81 F92 Y100T72-L76 PolarHBondContact O-N 2.92Å; E73-L76 PolarHBondContact O-N 2.86Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.11Å; L76-Y78 VanDerWaalsContact C-N 3.32Å; L76-Y78 PolarHBondContact O-N 3.4Å; L76-G79 PolarHBondContact O-N 3.4Å; L76-G79 VanDerWaalsContact O-N 3.09Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.97Å; L76-I81 HydrophobicContact CD1-CG1 4.28Å; L76-F92 HydrophobicContact CD2-CB 4Å; L76-F92 HydrophobicContact CD2-CD2 4.38Å; L76-Y100 HydrophobicContact CD1-CD1 4.38Å; L76-Y100 HydrophobicContact CD1-CE1 4.22Å; L76-Y100 HydrophobicContact CD2-CE1 4.24Å
77F88.5Confident90Very high97 Ų9742.6 Ų42.643%0.42521%0.21SC..Hα-helixtrans-60.8-40-178.3-178.7-98.1000112.5E73 L74 G79 K200E73-F77 WeakPolarHBondContact O-CB 3.37Å; E73-F77 PolarHBondContact O-N 3.11Å; L74-F77 PolarHBondContact O-N 3.5Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-K200 HydrophobicContact CZ-CB 4.28Å; F77-K200 HydrophobicContact CZ-CD 4.04Å; F77-K200 HydrophobicContact CZ-CG 4.29Å
78Y89.3Confident89Confident73 Ų7344.3 Ų44.329%0.28623%0.23SC..THydrogen-bonded Turntrans-85.82.5178-68.9-55.5000113.8M19 L74 L76 L109 L201M19-Y78 HydrophobicContact CE-CD2 3.78Å; M19-Y78 HydrophobicContact CE-CG 4.44Å; M19-Y78 HydrophobicContact SD-CD2 3.75Å; M19-Y78 HydrophobicContact SD-CE2 4.38Å; M19-Y78 HydrophobicContact SD-CG 4.39Å; L74-Y78 HydrophobicContact CB-CD2 4.16Å; L74-Y78 HydrophobicContact CB-CE2 4.15Å; L74-Y78 HydrophobicContact CD2-CE2 4.02Å; L74-Y78 WeakPolarHBondContact O-CB 3.43Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å; L74-Y78 PolarHBondContact O-N 2.67Å; L76-Y78 VanDerWaalsContact C-N 3.32Å; L76-Y78 PolarHBondContact O-N 3.4Å; Y78-L109 HydrophobicContact CD1-CD1 3.7Å; Y78-L109 HydrophobicContact CG-CD1 4Å; Y78-L109 WeakPolarHBondContact O-CD1 3.19Å; Y78-L201 HydrophobicContact CD1-CD1 3.49Å; Y78-L201 VanDerWaalsContact CD1-CD1 3.49Å; Y78-L201 HydrophobicContact CE1-CD1 3.38Å
79G91.3Very high88.1Confident7 Ų748.2 Ų48.27%0.07225%0.248CC..THydrogen-bonded Turntrans75.820.2172.600000115.4F75 L76 F77 I81 Q103F75-G79 PolarHBondContact O-N 3.27Å; L76-G79 PolarHBondContact O-N 3.4Å; L76-G79 VanDerWaalsContact O-N 3.09Å; F77-G79 VanDerWaalsContact C-N 3.3Å; G79-I81 VanDerWaalsContact C-N 3.34Å; G79-Q103 WeakPolarHBondContact O-CB 3.32Å; G79-Q103 WeakPolarHBondContact O-CG 3.48Å
80Y94.4Very high87.2Confident1 Ų151.7 Ų51.70%0.00427%0.273CS..SBendtrans-78.6-25172.7-73.6-71.8000112.5T16 M19 E20 I23 F75 Q103 W108 L109T16-Y80 WeakPolarHBondContact CA-OH 3.47Å; T16-Y80 WeakPolarHBondContact CB-OH 3.37Å; T16-Y80 WeakPolarHBondContact CG2-OH 3.4Å; M19-Y80 HydrophobicContact CB-CD2 4.23Å; M19-Y80 HydrophobicContact CB-CE2 3.79Å; M19-Y80 HydrophobicContact CE-CD2 3.52Å; M19-Y80 HydrophobicContact CE-CE2 3.78Å; M19-Y80 HydrophobicContact CG-CE2 4.38Å; M19-Y80 HydrophobicContact SD-CD2 4.11Å; M19-Y80 HydrophobicContact SD-CE2 3.71Å; E20-Y80 HydrophobicContact CG-CD1 4.35Å; E20-Y80 HydrophobicContact CG-CE1 3.39Å; E20-Y80 PolarHBondContact OE1-OH 3.36Å; I23-Y80 HydrophobicContact CG1-CD1 4.27Å; I23-Y80 HydrophobicContact CG1-CG 4.34Å; F75-Y80 HydrophobicContact CD1-CD2 4.21Å; F75-Y80 HydrophobicContact CD1-CG 4.24Å; F75-Y80 PolarHBondContact O-N 3.43Å; Y80-Q103 WeakPolarHBondContact O-CB 3.12Å; Y80-Q103 PolarHBondContact O-N 3.02Å; Y80-W108 AromaticContact CD1-CD1 3.95Å; Y80-W108 HydrophobicContact CD1-CD2 4.16Å; Y80-W108 HydrophobicContact CD1-CG 4.09Å; Y80-W108 AromaticContact CD1-NE1 3.94Å; Y80-W108 HydrophobicContact CE1-CB 4.13Å; Y80-W108 AromaticContact CE1-CD2 3.87Å; Y80-W108 HydrophobicContact CE1-CD2 3.87Å; Y80-W108 HydrophobicContact CE1-CE3 4.37Å; Y80-W108 AromaticContact CE1-CG 3.78Å; Y80-W108 HydrophobicContact CE1-CG 3.78Å; Y80-L109 HydrophobicContact CE2-CD1 4.47Å
81I94.9Very high86.6Confident1 Ų151.6 Ų51.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-127.8156168.764.1176.6000108.7I23 F47 F52 T72 F75 L76 G79 Y100 R101 F102I23-I81 HydrophobicContact CD1-CG2 4.42Å; F47-I81 HydrophobicContact CZ-CB 4.34Å; F47-I81 HydrophobicContact CZ-CG2 3.84Å; F52-I81 HydrophobicContact CD2-CD1 4.5Å; F52-I81 HydrophobicContact CD2-CG2 4.46Å; F52-I81 HydrophobicContact CE2-CD1 4.25Å; F52-I81 HydrophobicContact CE2-CG2 3.73Å; F52-I81 HydrophobicContact CZ-CD1 4.41Å; F52-I81 HydrophobicContact CZ-CG2 4.35Å; T72-I81 HydrophobicContact CG2-CD1 4.09Å; F75-I81 HydrophobicContact CB-CD1 4.17Å; F75-I81 HydrophobicContact CB-CG1 4.15Å; F75-I81 PolarHBondContact O-N 2.97Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.97Å; L76-I81 HydrophobicContact CD1-CG1 4.28Å; G79-I81 VanDerWaalsContact C-N 3.34Å; I81-Y100 HydrophobicContact CD1-CD1 4.49Å; I81-R101 CarbonylContact C-O 3.56Å; I81-R101 VanDerWaalsContact CA-O 3.22Å; I81-R101 WeakPolarHBondContact CA-O 3.45Å; I81-F102 HydrophobicContact CG2-CD1 3.69Å; I81-F102 HydrophobicContact CG2-CE1 3.99Å
82F93.5Very high86.3Confident7 Ų750.2 Ų50.23%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-140.1153.2174.964.5-87.4000110.8I84 Y100 R101 F102 Q103 L182 Q183 A186F82-I84 HydrophobicContact CE2-CG1 4.48Å; F82-Y100 CarbonylContact O-C 3.59Å; F82-Y100 VanDerWaalsContact O-CA 3.25Å; F82-Y100 WeakPolarHBondContact O-CA 3.43Å; F82-R101 HydrophobicContact CD1-CB 4.42Å; F82-R101 WeakPolarHBondContact CD1-O 2.98Å; F82-R101 HydrophobicContact CE1-CB 3.78Å; F82-R101 HydrophobicContact CE2-CB 3.96Å; F82-R101 HydrophobicContact CZ-CB 3.52Å; F82-R101 HydrophobicContact CZ-CG 4.44Å; F82-R101 PolarHBondContact N-O 3.3Å; F82-R101 PolarHBondContact O-N 3.5Å; F82-F102 WeakPolarHBondContact CE1-O 3.32Å; F82-Q103 HydrophobicContact CD1-CB 4.21Å; F82-L182 HydrophobicContact CD2-CB 4.29Å; F82-L182 HydrophobicContact CE2-CB 3.77Å; F82-Q183 HydrophobicContact CE1-CG 3.56Å; F82-Q183 HydrophobicContact CE2-CG 4.46Å; F82-Q183 HydrophobicContact CZ-CG 3.5Å; F82-Q183 VanDerWaalsContact CZ-CG 3.5Å; F82-A186 HydrophobicContact CB-CB 3.3Å; F82-A186 HydrophobicContact CD1-CB 4.36Å; F82-A186 HydrophobicContact CD2-CB 4.29Å; F82-A186 HydrophobicContact CG-CB 3.75Å
83R92.2Very high86Confident46 Ų4652.6 Ų52.617%0.17427%0.273CS..EExtended strand (participates in β ladder)trans-84.8135.6179.8-166171.868.9-147.7-13.2110.4T85 S87 Q89 Y91 W99 Y100R83-T85 WeakPolarHBondContact CG-O 3.2Å; R83-T85 WeakPolarHBondContact CG-OG1 3.49Å; R83-T85 PolarHBondContact NE-O 3.5Å; R83-T85 VanDerWaalsContact NE-O 3.11Å; R83-S87 VanDerWaalsContact CZ-CB 3.41Å; R83-S87 PolarHBondContact NH1-OG 3.27Å; R83-S87 PolarHBondContact NH2-O 3.46Å; R83-S87 PolarHBondContact NH2-OG 2.88Å; R83-S87 VanDerWaalsContact NH2-OG 3.16Å; R83-Q89 VanDerWaalsContact CZ-O 3.27Å; R83-Q89 PolarHBondContact NH1-O 2.85Å; R83-Q89 PolarHBondContact NH2-O 3.47Å; R83-Y91 PolarHBondContact NH1-O 3.48Å; R83-W99 WeakPolarHBondContact CA-O 3.43Å; R83-Y100 HydrophobicContact CB-CD1 4.03Å; R83-Y100 HydrophobicContact CB-CE1 3.83Å; R83-Y100 HydrophobicContact CG-CD1 4.33Å; R83-Y100 HydrophobicContact CG-CE1 3.96Å
84I90.7Very high85.9Confident16 Ų1652.5 Ų52.58%0.08227%0.274CS..  trans-90.7-39.9178.8-52.8170.7000110.6F42 L43 A46 F82 W99 R101 L182F42-I84 HydrophobicContact CD1-CG2 3.87Å; F42-I84 HydrophobicContact CE1-CG2 3.2Å; F42-I84 HydrophobicContact CZ-CG2 3.74Å; L43-I84 HydrophobicContact CD2-CD1 4.37Å; A46-I84 HydrophobicContact CB-CD1 3.45Å; A46-I84 VanDerWaalsContact CB-CD1 3.45Å; F82-I84 HydrophobicContact CE2-CG1 4.48Å; I84-W99 HydrophobicContact CB-CB 4.36Å; I84-W99 HydrophobicContact CD1-CB 4.08Å; I84-W99 PolarHBondContact N-O 2.96Å; I84-R101 HydrophobicContact CD1-CB 4.17Å; I84-R101 VanDerWaalsContact CD1-CD 3.47Å; I84-R101 HydrophobicContact CD1-CG 3.59Å; I84-R101 HydrophobicContact CG1-CB 4.24Å; I84-R101 HydrophobicContact CG1-CG 4.16Å; I84-L182 HydrophobicContact CB-CD1 4.44Å; I84-L182 HydrophobicContact CG2-CD1 3.87Å
85T84.5Confident85.5Confident37 Ų3754.3 Ų54.323%0.22728%0.284CS..SBendtrans-75.7134.2-178.4510000111.3R83 S87 T97 Y98 W99R83-T85 WeakPolarHBondContact CG-O 3.2Å; R83-T85 WeakPolarHBondContact CG-OG1 3.49Å; R83-T85 PolarHBondContact NE-O 3.5Å; R83-T85 VanDerWaalsContact NE-O 3.11Å; T85-S87 PolarHBondContact O-N 2.9Å; T85-T97 WeakPolarHBondContact CG2-O 3.31Å; T85-Y98 WeakPolarHBondContact OG1-CD1 3.4Å; T85-W99 HydrophobicContact CG2-CB 4.13Å; T85-W99 HydrophobicContact CG2-CG 4.41Å
86D72.8Confident85.1Confident162 Ų16261.1 Ų61.187%0.86631%0.314SS*.  trans-63.2135179.9-163.62.4000111.3
87S69.3Low84.8Confident27 Ų2763.9 Ų63.919%0.18933%0.332CS..  trans-166138172.2146.20000109.1R83 T85 Q89R83-S87 VanDerWaalsContact CZ-CB 3.41Å; R83-S87 PolarHBondContact NH1-OG 3.27Å; R83-S87 PolarHBondContact NH2-O 3.46Å; R83-S87 PolarHBondContact NH2-OG 2.88Å; R83-S87 VanDerWaalsContact NH2-OG 3.16Å; T85-S87 PolarHBondContact O-N 2.9Å; S87-Q89 PolarHBondContact O-N 2.75Å; S87-Q89 PolarHBondContact OG-N 3.45Å; S87-Q89 VanDerWaalsContact OG-N 3.14Å
88S71.7Confident84.9Confident114 Ų11461.6 Ų61.680%0.79732%0.321SS*.SBendtrans-66.7-18176.455.50000113.4
89Q75.6Confident85.1Confident83 Ų8359.6 Ų59.639%0.38831%0.313SS..  trans-89.5132.9-173-61.2-60.2-30.400112.2R83 S87 Y91R83-Q89 VanDerWaalsContact CZ-O 3.27Å; R83-Q89 PolarHBondContact NH1-O 2.85Å; R83-Q89 PolarHBondContact NH2-O 3.47Å; S87-Q89 PolarHBondContact O-N 2.75Å; S87-Q89 PolarHBondContact OG-N 3.45Å; S87-Q89 VanDerWaalsContact OG-N 3.14Å; Q89-Y91 HydrophobicContact CB-CD1 3.98Å; Q89-Y91 HydrophobicContact CB-CE1 3.56Å; Q89-Y91 HydrophobicContact CG-CE1 3.89Å; Q89-Y91 VanDerWaalsContact OE1-CE1 3.24Å
90P73Confident85.3Confident113 Ų11359.2 Ų59.273%0.73431%0.309SS*.  trans-83.9-8.4-174.433.1-36.5000114.7
91Y81.7Confident85.3Confident102 Ų10260.3 Ų60.340%0.431%0.313SS..SBendtrans-93.4162.7-174.358.5-90.2000113.3R83 Q89 K93R83-Y91 PolarHBondContact NH1-O 3.48Å; Q89-Y91 HydrophobicContact CB-CD1 3.98Å; Q89-Y91 HydrophobicContact CB-CE1 3.56Å; Q89-Y91 HydrophobicContact CG-CE1 3.89Å; Q89-Y91 VanDerWaalsContact OE1-CE1 3.24Å; Y91-K93 HydrophobicContact CD2-CD 4.27Å; Y91-K93 HydrophobicContact CE2-CD 3.85Å; Y91-K93 VanDerWaalsContact CZ-NZ 3.28Å; Y91-K93 PolarHBondContact OH-NZ 3.38Å
92F86.6Confident85.3Confident9 Ų961.5 Ų61.54%0.03932%0.318CS..  trans-69.6153.1-178.7-176.3-101.6000111.9V53 L69 T72 E73 L76 L94 Y100V53-F92 HydrophobicContact CG2-CE1 4.03Å; V53-F92 HydrophobicContact CG2-CZ 4.31Å; L69-F92 HydrophobicContact CD1-CD1 3.58Å; L69-F92 HydrophobicContact CD1-CE1 3.72Å; T72-F92 HydrophobicContact CG2-CD1 4.23Å; T72-F92 HydrophobicContact CG2-CD2 3.73Å; T72-F92 HydrophobicContact CG2-CE1 3.84Å; T72-F92 HydrophobicContact CG2-CE2 3.3Å; T72-F92 HydrophobicContact CG2-CG 4.17Å; T72-F92 HydrophobicContact CG2-CZ 3.32Å; E73-F92 HydrophobicContact CG-CB 3.58Å; E73-F92 HydrophobicContact CG-CG 4.47Å; L76-F92 HydrophobicContact CD2-CB 4Å; L76-F92 HydrophobicContact CD2-CD2 4.38Å; F92-L94 HydrophobicContact CE1-CD1 4.39Å; F92-Y100 HydrophobicContact CD2-CD1 4.4Å; F92-Y100 AromaticContact CD2-CE1 3.66Å; F92-Y100 HydrophobicContact CD2-CE1 3.66Å; F92-Y100 AromaticContact CD2-CE2 3.98Å; F92-Y100 HydrophobicContact CD2-CE2 3.98Å; F92-Y100 AromaticContact CD2-CZ 3.42Å; F92-Y100 VanDerWaalsContact CD2-CZ 3.42Å; F92-Y100 WeakPolarHBondContact CD2-OH 3.18Å; F92-Y100 HydrophobicContact CE2-CD1 4.33Å; F92-Y100 HydrophobicContact CE2-CD2 4Å; F92-Y100 AromaticContact CE2-CE1 3.92Å; F92-Y100 HydrophobicContact CE2-CE1 3.92Å; F92-Y100 AromaticContact CE2-CE2 3.57Å; F92-Y100 HydrophobicContact CE2-CE2 3.57Å; F92-Y100 HydrophobicContact CE2-CG 4.37Å; F92-Y100 AromaticContact CE2-CZ 3.53Å; F92-Y100 HydrophobicContact CZ-CE2 4.3Å
93K87.8Confident85.4Confident50 Ų5061.4 Ų61.422%0.21732%0.318CS..  trans-138.4125.4-176.6-67.2-69.7-170.6173.30109.7Y91 Y98 Y100Y91-K93 HydrophobicContact CD2-CD 4.27Å; Y91-K93 HydrophobicContact CE2-CD 3.85Å; Y91-K93 VanDerWaalsContact CZ-NZ 3.28Å; Y91-K93 PolarHBondContact OH-NZ 3.38Å; K93-Y98 HydrophobicContact CB-CD1 4.27Å; K93-Y98 HydrophobicContact CB-CD2 3.27Å; K93-Y98 HydrophobicContact CB-CE2 3.61Å; K93-Y98 HydrophobicContact CB-CG 3.62Å; K93-Y98 HydrophobicContact CD-CE2 4.13Å; K93-Y98 HydrophobicContact CG-CD1 4.35Å; K93-Y98 HydrophobicContact CG-CD2 3.85Å; K93-Y98 HydrophobicContact CG-CE1 4.19Å; K93-Y98 HydrophobicContact CG-CE2 3.67Å; K93-Y98 HydrophobicContact CG-CG 4.16Å; K93-Y100 PolarHBondContact N-OH 2.92Å; K93-Y100 PolarHBondContact O-OH 3.1Å
94L88.3Confident85.6Confident70 Ų7060.4 Ų60.437%0.36632%0.319SS..  trans-78.4-20.9179.4-162.569.7000113.3A50 V53 F92 K96A50-L94 HydrophobicContact CB-CD1 4.06Å; A50-L94 HydrophobicContact CB-CG 4.42Å; V53-L94 HydrophobicContact CB-CD1 4.32Å; V53-L94 HydrophobicContact CG2-CD1 3.9Å; F92-L94 HydrophobicContact CE1-CD1 4.39Å; L94-K96 PolarHBondContact O-N 3.46Å
95N84.5Confident85.7Confident96 Ų9663.1 Ų63.151%0.51334%0.338SS..SBendtrans-59.4136.5-177.3-176.6-10.7000111.3T97 Y98N95-T97 PolarHBondContact ND2-OG1 2.92Å; N95-T97 PolarHBondContact O-N 2.96Å; N95-T97 PolarHBondContact OD1-N 3.43Å; N95-T97 VanDerWaalsContact OD1-N 3.17Å; N95-T97 PolarHBondContact OD1-OG1 3.32Å; N95-Y98 HydrophobicContact CB-CD2 4.01Å; N95-Y98 HydrophobicContact CB-CE2 4.26Å; N95-Y98 PolarHBondContact O-N 3.42Å
96K84.7Confident86Confident146 Ų14668.2 Ų68.264%0.63536%0.358SS*.THydrogen-bonded Turntrans-54.4-18.2177.8-61.2-168.2177.1-172.70114.5Q48 L94 Y98Q48-K96 PolarHBondContact NE2-O 3.1Å; Q48-K96 VanDerWaalsContact NE2-O 3.15Å; L94-K96 PolarHBondContact O-N 3.46Å; K96-Y98 PolarHBondContact O-N 2.87Å
97T86.6Confident86.9Confident84 Ų8462.4 Ų62.452%0.51532%0.324SS..THydrogen-bonded Turntrans-68.2-20.2174.3580000113.5T85 N95T85-T97 WeakPolarHBondContact CG2-O 3.31Å; N95-T97 PolarHBondContact ND2-OG1 2.92Å; N95-T97 PolarHBondContact O-N 2.96Å; N95-T97 PolarHBondContact OD1-N 3.43Å; N95-T97 VanDerWaalsContact OD1-N 3.17Å; N95-T97 PolarHBondContact OD1-OG1 3.32Å
98Y89.8Confident87.9Confident50 Ų5062.8 Ų62.820%0.19632%0.321CS..  trans-101.9125.4-175.9-64.1-81.3000111.5T85 K93 N95 K96T85-Y98 WeakPolarHBondContact OG1-CD1 3.4Å; K93-Y98 HydrophobicContact CB-CD1 4.27Å; K93-Y98 HydrophobicContact CB-CD2 3.27Å; K93-Y98 HydrophobicContact CB-CE2 3.61Å; K93-Y98 HydrophobicContact CB-CG 3.62Å; K93-Y98 HydrophobicContact CD-CE2 4.13Å; K93-Y98 HydrophobicContact CG-CD1 4.35Å; K93-Y98 HydrophobicContact CG-CD2 3.85Å; K93-Y98 HydrophobicContact CG-CE1 4.19Å; K93-Y98 HydrophobicContact CG-CE2 3.67Å; K93-Y98 HydrophobicContact CG-CG 4.16Å; N95-Y98 HydrophobicContact CB-CD2 4.01Å; N95-Y98 HydrophobicContact CB-CE2 4.26Å; N95-Y98 PolarHBondContact O-N 3.42Å; K96-Y98 PolarHBondContact O-N 2.87Å
99W93.2Very high88.6Confident30 Ų3057.9 Ų57.911%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-110.3140.6180-67.787.2000111.2Q38 L43 A46 Q48 R83 I84 T85Q38-W99 HydrophobicContact CG-CH2 3.93Å; Q38-W99 HydrophobicContact CG-CZ3 4.25Å; L43-W99 HydrophobicContact CD1-CD2 4.41Å; L43-W99 HydrophobicContact CD1-CZ2 4.42Å; L43-W99 HydrophobicContact CD2-CB 4.11Å; L43-W99 HydrophobicContact CD2-CD2 4.08Å; L43-W99 HydrophobicContact CD2-CG 3.89Å; A46-W99 HydrophobicContact CB-CE3 3.73Å; A46-W99 HydrophobicContact CB-CZ3 4.4Å; Q48-W99 HydrophobicContact CG-CD2 4.2Å; Q48-W99 HydrophobicContact CG-CE3 4.1Å; Q48-W99 HydrophobicContact CG-CH2 3.9Å; Q48-W99 HydrophobicContact CG-CZ2 4.01Å; Q48-W99 HydrophobicContact CG-CZ3 3.96Å; R83-W99 WeakPolarHBondContact CA-O 3.43Å; I84-W99 HydrophobicContact CB-CB 4.36Å; I84-W99 HydrophobicContact CD1-CB 4.08Å; I84-W99 PolarHBondContact N-O 2.96Å; T85-W99 HydrophobicContact CG2-CB 4.13Å; T85-W99 HydrophobicContact CG2-CG 4.41Å
100Y94.7Very high88.9Confident0 Ų055.5 Ų55.50%028%0.278CS..EExtended strand (participates in β ladder)trans-124.7155.7-178.7-61.6-89.8000110.6A46 F47 L76 I81 F82 R83 F92 K93A46-Y100 CarbonylContact C-O 3.55Å; A46-Y100 VanDerWaalsContact CA-O 3.28Å; A46-Y100 WeakPolarHBondContact CA-O 3.41Å; F47-Y100 VanDerWaalsContact CE2-CB 3.48Å; F47-Y100 HydrophobicContact CE2-CG 4.42Å; F47-Y100 PolarHBondContact N-O 2.94Å; F47-Y100 PolarHBondContact O-N 3.23Å; L76-Y100 HydrophobicContact CD1-CD1 4.38Å; L76-Y100 HydrophobicContact CD1-CE1 4.22Å; L76-Y100 HydrophobicContact CD2-CE1 4.24Å; I81-Y100 HydrophobicContact CD1-CD1 4.49Å; F82-Y100 CarbonylContact O-C 3.59Å; F82-Y100 VanDerWaalsContact O-CA 3.25Å; F82-Y100 WeakPolarHBondContact O-CA 3.43Å; R83-Y100 HydrophobicContact CB-CD1 4.03Å; R83-Y100 HydrophobicContact CB-CE1 3.83Å; R83-Y100 HydrophobicContact CG-CD1 4.33Å; R83-Y100 HydrophobicContact CG-CE1 3.96Å; F92-Y100 HydrophobicContact CD2-CD1 4.4Å; F92-Y100 AromaticContact CD2-CE1 3.66Å; F92-Y100 HydrophobicContact CD2-CE1 3.66Å; F92-Y100 AromaticContact CD2-CE2 3.98Å; F92-Y100 HydrophobicContact CD2-CE2 3.98Å; F92-Y100 AromaticContact CD2-CZ 3.42Å; F92-Y100 VanDerWaalsContact CD2-CZ 3.42Å; F92-Y100 WeakPolarHBondContact CD2-OH 3.18Å; F92-Y100 HydrophobicContact CE2-CD1 4.33Å; F92-Y100 HydrophobicContact CE2-CD2 4Å; F92-Y100 AromaticContact CE2-CE1 3.92Å; F92-Y100 HydrophobicContact CE2-CE1 3.92Å; F92-Y100 AromaticContact CE2-CE2 3.57Å; F92-Y100 HydrophobicContact CE2-CE2 3.57Å; F92-Y100 HydrophobicContact CE2-CG 4.37Å; F92-Y100 AromaticContact CE2-CZ 3.53Å; F92-Y100 HydrophobicContact CZ-CE2 4.3Å; K93-Y100 PolarHBondContact N-OH 2.92Å; K93-Y100 PolarHBondContact O-OH 3.1Å
101R95Very high89.4Confident24 Ų2457.1 Ų57.19%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-134.7151.9173.7-98.5167.3-167.3-802.7109.5F42 H44 A46 I81 F82 I84F42-R101 VanDerWaalsContact C-NH2 3.28Å; F42-R101 PolarHBondContact O-NE 3.08Å; F42-R101 PolarHBondContact O-NH2 3.27Å; H44-R101 PolarHBondContact O-NH1 3.16Å; H44-R101 PolarHBondContact O-NH2 3.44Å; A46-R101 HydrophobicContact CB-CG 4.23Å; I81-R101 CarbonylContact C-O 3.56Å; I81-R101 VanDerWaalsContact CA-O 3.22Å; I81-R101 WeakPolarHBondContact CA-O 3.45Å; F82-R101 HydrophobicContact CD1-CB 4.42Å; F82-R101 WeakPolarHBondContact CD1-O 2.98Å; F82-R101 HydrophobicContact CE1-CB 3.78Å; F82-R101 HydrophobicContact CE2-CB 3.96Å; F82-R101 HydrophobicContact CZ-CB 3.52Å; F82-R101 HydrophobicContact CZ-CG 4.44Å; F82-R101 PolarHBondContact N-O 3.3Å; F82-R101 PolarHBondContact O-N 3.5Å; I84-R101 HydrophobicContact CD1-CB 4.17Å; I84-R101 VanDerWaalsContact CD1-CD 3.47Å; I84-R101 HydrophobicContact CD1-CG 3.59Å; I84-R101 HydrophobicContact CG1-CB 4.24Å; I84-R101 HydrophobicContact CG1-CG 4.16Å
102F96Very high89.3Confident26 Ų2654 Ų5411%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-69138.5168-67.1-65.1000111I23 M26 N27 I33 F47 F52 I81 F82I23-F102 HydrophobicContact CD1-CD1 3.82Å; I23-F102 HydrophobicContact CD1-CE1 3.62Å; I23-F102 HydrophobicContact CG2-CD1 4.03Å; I23-F102 HydrophobicContact CG2-CE1 4.3Å; M26-F102 HydrophobicContact CB-CE1 4.25Å; M26-F102 HydrophobicContact CB-CZ 3.73Å; M26-F102 HydrophobicContact SD-CE1 4.17Å; M26-F102 HydrophobicContact SD-CZ 4.32Å; N27-F102 WeakPolarHBondContact OD1-CD2 3.34Å; N27-F102 WeakPolarHBondContact OD1-CE2 3.34Å; I33-F102 HydrophobicContact CD1-CD2 4.48Å; I33-F102 HydrophobicContact CD1-CE2 3.34Å; I33-F102 HydrophobicContact CD1-CZ 3.45Å; I33-F102 VanDerWaalsContact CD1-CZ 3.45Å; I33-F102 HydrophobicContact CG1-CE2 3.87Å; I33-F102 HydrophobicContact CG1-CZ 3.97Å; F47-F102 HydrophobicContact CD1-CE2 4.32Å; F47-F102 HydrophobicContact CE1-CD1 4.27Å; F47-F102 AromaticContact CE1-CD2 3.87Å; F47-F102 HydrophobicContact CE1-CD2 3.87Å; F47-F102 HydrophobicContact CE1-CE1 4.18Å; F47-F102 AromaticContact CE1-CE2 3.79Å; F47-F102 HydrophobicContact CE1-CE2 3.79Å; F47-F102 HydrophobicContact CE1-CG 4.1Å; F47-F102 AromaticContact CE1-CZ 3.92Å; F47-F102 HydrophobicContact CE1-CZ 3.92Å; F47-F102 HydrophobicContact CZ-CD1 4.4Å; F47-F102 HydrophobicContact CZ-CE1 4.2Å; F47-F102 HydrophobicContact CZ-CZ 4.26Å; F52-F102 HydrophobicContact CD2-CE1 4.46Å; F52-F102 AromaticContact CE2-CE1 3.85Å; F52-F102 HydrophobicContact CE2-CE1 3.85Å; F52-F102 HydrophobicContact CE2-CZ 4.42Å; I81-F102 HydrophobicContact CG2-CD1 3.69Å; I81-F102 HydrophobicContact CG2-CE1 3.99Å; F82-F102 WeakPolarHBondContact CE1-O 3.32Å
103Q95.5Very high88.4Confident4 Ų454.3 Ų54.32%0.01927%0.267CS..PPolyproline II helixtrans-74.4143.4172.5-177.361.5-79.100110.9G79 Y80 F82 Y107 W108 Q183G79-Q103 WeakPolarHBondContact O-CB 3.32Å; G79-Q103 WeakPolarHBondContact O-CG 3.48Å; Y80-Q103 WeakPolarHBondContact O-CB 3.12Å; Y80-Q103 PolarHBondContact O-N 3.02Å; F82-Q103 HydrophobicContact CD1-CB 4.21Å; Q103-Y107 VanDerWaalsContact OE1-CD2 3.31Å; Q103-W108 PolarHBondContact O-NE1 3.37Å; Q103-Q183 PolarHBondContact NE2-O 3.45Å; Q103-Q183 VanDerWaalsContact OE1-CB 3.31Å
104A94.9Very high87.9Confident25 Ų2559.8 Ų59.821%0.20729%0.291CS..PPolyproline II helixtrans-64.3139.9176.600000111.2F106 Y107A104-F106 PolarHBondContact O-N 3.01Å; A104-Y107 HydrophobicContact CB-CD2 4.13Å; A104-Y107 PolarHBondContact O-N 3.4Å
105P93Very high87.7Confident74 Ų7457 Ų5748%0.48128%0.276SS..G310 helixtrans-54.4-26-179.7-2935.3000115.7Y107 W108 K111P105-Y107 PolarHBondContact O-N 3.01Å; P105-W108 HydrophobicContact CB-CD2 4.06Å; P105-W108 HydrophobicContact CB-CE3 4.18Å; P105-W108 HydrophobicContact CB-CH2 4.45Å; P105-W108 HydrophobicContact CB-CZ2 4.28Å; P105-W108 HydrophobicContact CB-CZ3 4.38Å; P105-W108 HydrophobicContact CG-CH2 4.21Å; P105-W108 HydrophobicContact CG-CZ2 3.9Å; P105-W108 WeakPolarHBondContact O-CB 3.41Å; P105-W108 PolarHBondContact O-N 3.47Å; P105-K111 VanDerWaalsContact O-CG 3.29Å; P105-K111 WeakPolarHBondContact O-CG 3.41Å
106F91.6Very high87.9Confident143 Ų14356.4 Ų56.463%0.62727%0.274SS*.G310 helixtrans-58.8-33.7174.6178.1-101.2000112.9A104 I112A104-F106 PolarHBondContact O-N 3.01Å; F106-I112 WeakPolarHBondContact O-CD1 3.33Å
107Y92.5Very high88.4Confident41 Ų4152.9 Ų52.916%0.16126%0.262CS..G310 helixtrans-93.86-178.5-65.9-60.6000113.7Q103 A104 P105 Q183 F187Q103-Y107 VanDerWaalsContact OE1-CD2 3.31Å; A104-Y107 HydrophobicContact CB-CD2 4.13Å; A104-Y107 PolarHBondContact O-N 3.4Å; P105-Y107 PolarHBondContact O-N 3.01Å; Y107-Q183 HydrophobicContact CD2-CB 4.25Å; Y107-Q183 HydrophobicContact CE2-CB 3.91Å; Y107-F187 HydrophobicContact CD1-CB 3.66Å; Y107-F187 HydrophobicContact CD1-CD1 4.02Å; Y107-F187 AromaticContact CD1-CD2 3.54Å; Y107-F187 HydrophobicContact CD1-CD2 3.54Å; Y107-F187 HydrophobicContact CD1-CE2 4.11Å; Y107-F187 AromaticContact CD1-CG 3.46Å; Y107-F187 HydrophobicContact CD1-CG 3.46Å; Y107-F187 VanDerWaalsContact CD1-CG 3.46Å; Y107-F187 HydrophobicContact CE1-CB 4.22Å; Y107-F187 HydrophobicContact CE1-CD1 4.28Å; Y107-F187 HydrophobicContact CE1-CG 4.1Å; Y107-F187 HydrophobicContact CG-CB 3.97Å; Y107-F187 HydrophobicContact CG-CD2 4.07Å; Y107-F187 HydrophobicContact CG-CG 4.14Å
108W90.4Very high88.8Confident35 Ų3550.7 Ų50.713%0.13325%0.246CC..SBendtrans-71.7147.4-178.9-69.50.3000112.3E20 I23 Y80 Q103 P105 S110 K111 I112E20-W108 HydrophobicContact CB-CE3 4.18Å; E20-W108 HydrophobicContact CB-CH2 4.3Å; E20-W108 HydrophobicContact CB-CZ3 3.72Å; E20-W108 HydrophobicContact CG-CD2 4.06Å; E20-W108 HydrophobicContact CG-CE3 3.36Å; E20-W108 HydrophobicContact CG-CH2 4.19Å; E20-W108 HydrophobicContact CG-CZ3 3.43Å; E20-W108 VanDerWaalsContact CG-CZ3 3.43Å; I23-W108 HydrophobicContact CG2-CH2 4.29Å; I23-W108 HydrophobicContact CG2-CZ2 3.83Å; Y80-W108 AromaticContact CD1-CD1 3.95Å; Y80-W108 HydrophobicContact CD1-CD2 4.16Å; Y80-W108 HydrophobicContact CD1-CG 4.09Å; Y80-W108 AromaticContact CD1-NE1 3.94Å; Y80-W108 HydrophobicContact CE1-CB 4.13Å; Y80-W108 AromaticContact CE1-CD2 3.87Å; Y80-W108 HydrophobicContact CE1-CD2 3.87Å; Y80-W108 HydrophobicContact CE1-CE3 4.37Å; Y80-W108 AromaticContact CE1-CG 3.78Å; Y80-W108 HydrophobicContact CE1-CG 3.78Å; Q103-W108 PolarHBondContact O-NE1 3.37Å; P105-W108 HydrophobicContact CB-CD2 4.06Å; P105-W108 HydrophobicContact CB-CE3 4.18Å; P105-W108 HydrophobicContact CB-CH2 4.45Å; P105-W108 HydrophobicContact CB-CZ2 4.28Å; P105-W108 HydrophobicContact CB-CZ3 4.38Å; P105-W108 HydrophobicContact CG-CH2 4.21Å; P105-W108 HydrophobicContact CG-CZ2 3.9Å; P105-W108 WeakPolarHBondContact O-CB 3.41Å; P105-W108 PolarHBondContact O-N 3.47Å; W108-S110 PolarHBondContact O-N 3.22Å; W108-S110 VanDerWaalsContact O-N 3.15Å; W108-K111 HydrophobicContact CB-CG 4.5Å; W108-K111 WeakPolarHBondContact O-CB 3.48Å; W108-K111 PolarHBondContact O-N 3.11Å; W108-I112 PolarHBondContact O-N 3.45Å
109L85.3Confident89.1Confident11 Ų1152.2 Ų52.26%0.05826%0.258CS..THydrogen-bonded Turntrans-56.3-31.6178.9-66.3174.7000113.4T16 Y78 Y80 K111 V190 Y191 L201T16-L109 HydrophobicContact CG2-CB 3.91Å; Y78-L109 HydrophobicContact CD1-CD1 3.7Å; Y78-L109 HydrophobicContact CG-CD1 4Å; Y78-L109 WeakPolarHBondContact O-CD1 3.19Å; Y80-L109 HydrophobicContact CE2-CD1 4.47Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.36Å; L109-V190 HydrophobicContact CD2-CG1 4.2Å; L109-Y191 HydrophobicContact CD2-CE1 4.37Å; L109-Y191 HydrophobicContact CD2-CE2 4.07Å; L109-Y191 WeakPolarHBondContact CD2-OH 3.38Å; L109-L201 HydrophobicContact CD1-CD1 3.93Å; L109-L201 HydrophobicContact CD1-CD2 4.18Å; L109-L201 HydrophobicContact CD2-CD1 4.44Å; L109-L201 HydrophobicContact CD2-CD2 4.2Å
110S81.7Confident89.2Confident32 Ų3250.9 Ų50.922%0.22425%0.253CS..THydrogen-bonded Turntrans-68.9-23.6176.761.20000113.6E20 W108E20-S110 VanDerWaalsContact CD-OG 3.22Å; E20-S110 WeakPolarHBondContact OE1-CB 3.5Å; E20-S110 PolarHBondContact OE1-OG 2.96Å; E20-S110 PolarHBondContact OE2-OG 3.39Å; W108-S110 PolarHBondContact O-N 3.22Å; W108-S110 VanDerWaalsContact O-N 3.15Å
111K84Confident89.3Confident147 Ų14750.9 Ų50.964%0.63925%0.253SS*.THydrogen-bonded Turntrans-89.6-39.4179.2-58.9-53.5-177.4-175.90111.7P105 W108 L109P105-K111 VanDerWaalsContact O-CG 3.29Å; P105-K111 WeakPolarHBondContact O-CG 3.41Å; W108-K111 HydrophobicContact CB-CG 4.5Å; W108-K111 WeakPolarHBondContact O-CB 3.48Å; W108-K111 PolarHBondContact O-N 3.11Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.36Å
112I79.7Confident89.4Confident37 Ų3750 Ų5019%0.1925%0.25CC..  trans-11994.4-174.6-57.2172.6000108.9F106 W108 V115 F187 Y191F106-I112 WeakPolarHBondContact O-CD1 3.33Å; W108-I112 PolarHBondContact O-N 3.45Å; I112-V115 HydrophobicContact CG2-CG1 3.66Å; I112-F187 HydrophobicContact CB-CE2 4.36Å; I112-F187 HydrophobicContact CD1-CE2 3.61Å; I112-F187 HydrophobicContact CD1-CZ 3.76Å; I112-F187 HydrophobicContact CG2-CE2 4.34Å; I112-F187 HydrophobicContact CG2-CZ 4.17Å; I112-Y191 HydrophobicContact CG2-CE1 4.41Å; I112-Y191 WeakPolarHBondContact O-CE1 3.34Å; I112-Y191 PolarHBondContact O-OH 3.49Å
113S67.8Low89.3Confident15 Ų1549.1 Ų49.111%0.10525%0.246CC..SBendtrans-77.1-27.4-178.355.70000113.8M1 L9 R12M1-S113 WeakPolarHBondContact CE-OG 3.44Å; L9-S113 WeakPolarHBondContact CD1-OG 3.35Å; R12-S113 PolarHBondContact NH1-O 3.28Å
114K76.9Confident89.3Confident165 Ų16548.9 Ų48.972%0.71725%0.245SC*.SBendtrans-147140.8-179.3-174.3175.2-180178.80108.4
115V85.1Confident89.4Confident11 Ų1148.1 Ų48.17%0.06724%0.237CC..  trans-107.4143.8175.1-65.20000109.9I112 F187 W188 Y191I112-V115 HydrophobicContact CG2-CG1 3.66Å; V115-F187 HydrophobicContact CG1-CE1 4.1Å; V115-F187 HydrophobicContact CG1-CE2 4.42Å; V115-F187 HydrophobicContact CG1-CZ 3.52Å; V115-W188 HydrophobicContact CB-CH2 4.19Å; V115-W188 HydrophobicContact CB-CZ3 3.91Å; V115-W188 HydrophobicContact CG1-CH2 4.45Å; V115-W188 HydrophobicContact CG1-CZ3 4.2Å; V115-W188 HydrophobicContact CG2-CZ3 3.98Å; V115-Y191 HydrophobicContact CB-CD1 4.35Å; V115-Y191 HydrophobicContact CG1-CD1 3.59Å; V115-Y191 HydrophobicContact CG1-CD2 4.17Å; V115-Y191 HydrophobicContact CG1-CE1 3.91Å; V115-Y191 HydrophobicContact CG1-CG 3.71Å; V115-Y191 HydrophobicContact CG2-CD1 3.85Å; V115-Y191 HydrophobicContact CG2-CG 4.02Å
116D88.8Confident89.5Confident85 Ų8544.9 Ų44.946%0.45522%0.215SC..  trans-86.9149.9175.5-162.1-15.5000110.4I118 D119 Y120D116-I118 PolarHBondContact O-N 3.28Å; D116-I118 PolarHBondContact OD1-N 2.73Å; D116-D119 PolarHBondContact O-N 3.29Å; D116-Y120 PolarHBondContact O-N 2.68Å
117D93.6Very high89.5Confident72 Ų7240.3 Ų40.339%0.38519%0.194SC..Hα-helixtrans-66.8-26.2173.1-70-23000111.4Y120 A121 L147 L151 R192D117-Y120 PolarHBondContact O-N 3.03Å; D117-A121 VanDerWaalsContact O-CB 3.3Å; D117-A121 WeakPolarHBondContact O-CB 3.07Å; D117-A121 PolarHBondContact O-N 2.81Å; D117-L147 HydrophobicContact CB-CD2 3.83Å; D117-L151 HydrophobicContact CB-CD1 4.39Å; D117-R192 IonicContact OD1-CZ 3.94Å; D117-R192 IonicContact OD1-NE 2.74Å; D117-R192 IonicContact OD1-NH2 3.65Å; D117-R192 PolarHBondContact OD1-NH2 3.46Å
118I95.9Very high89.5Confident38 Ų3841.2 Ų41.220%0.19520%0.202CC..Hα-helixtrans-62.4-47.3172.2-61.2175.4000110.9D116 Y120 A121 I122 L151 K154 I158D116-I118 PolarHBondContact O-N 3.28Å; D116-I118 PolarHBondContact OD1-N 2.73Å; I118-Y120 VanDerWaalsContact C-N 3.3Å; I118-Y120 PolarHBondContact O-N 2.68Å; I118-A121 PolarHBondContact O-N 3.09Å; I118-I122 HydrophobicContact CG2-CD1 4.09Å; I118-I122 WeakPolarHBondContact O-CG1 3.32Å; I118-I122 PolarHBondContact O-N 3.02Å; I118-L151 HydrophobicContact CG1-CD1 4.26Å; I118-L151 HydrophobicContact CG1-CD2 4.26Å; I118-K154 HydrophobicContact CD1-CD 3.79Å; I118-K154 HydrophobicContact CG1-CD 4.46Å; I118-I158 HydrophobicContact CG2-CD1 4.45Å; I118-I158 HydrophobicContact CG2-CG1 4.22Å
119D94.8Very high89.6Confident82 Ų8243 Ų4344%0.43921%0.213SC..Hα-helixtrans-63.4-40179.4-67.6-40.5000111.1D116 I122 Y123 W188D116-D119 PolarHBondContact O-N 3.29Å; D119-I122 PolarHBondContact O-N 2.87Å; D119-Y123 PolarHBondContact O-N 3.46Å; D119-Y123 VanDerWaalsContact O-N 3.1Å; D119-W188 HydrophobicContact CB-CH2 3.73Å; D119-W188 HydrophobicContact CB-CZ2 3.98Å; D119-W188 WeakPolarHBondContact O-CZ2 3.46Å
120Y95.4Very high89.6Confident1 Ų145.1 Ų45.10%0.00422%0.222CC..Hα-helixtrans-67.9-40177.1-168.9-139.7000111.7D116 D117 I118 I122 Y123 L124 E140 I143 L147 W188 R192D116-Y120 PolarHBondContact O-N 2.68Å; D117-Y120 PolarHBondContact O-N 3.03Å; I118-Y120 VanDerWaalsContact C-N 3.3Å; I118-Y120 PolarHBondContact O-N 2.68Å; Y120-I122 VanDerWaalsContact C-N 3.31Å; Y120-I122 PolarHBondContact O-N 3.3Å; Y120-Y123 AromaticContact CD2-CD1 3.72Å; Y120-Y123 HydrophobicContact CD2-CD1 3.72Å; Y120-Y123 HydrophobicContact CD2-CE1 4.42Å; Y120-Y123 AromaticContact CE2-CD1 3.56Å; Y120-Y123 HydrophobicContact CE2-CD1 3.56Å; Y120-Y123 AromaticContact CE2-CE1 3.83Å; Y120-Y123 HydrophobicContact CE2-CE1 3.83Å; Y120-Y123 WeakPolarHBondContact O-CB 3.33Å; Y120-Y123 PolarHBondContact O-N 3.35Å; Y120-Y123 VanDerWaalsContact O-N 3.16Å; Y120-L124 HydrophobicContact CD1-CD1 4.16Å; Y120-L124 HydrophobicContact CD2-CG 4.29Å; Y120-L124 HydrophobicContact CE1-CD1 3.82Å; Y120-L124 HydrophobicContact CE1-CG 4.39Å; Y120-L124 HydrophobicContact CE2-CD1 4.33Å; Y120-L124 HydrophobicContact CE2-CD2 3.97Å; Y120-L124 HydrophobicContact CE2-CG 4.01Å; Y120-L124 WeakPolarHBondContact O-CG 3.48Å; Y120-L124 PolarHBondContact O-N 3Å; Y120-E140 PolarHBondContact OH-OE1 3.39Å; Y120-I143 HydrophobicContact CD1-CG2 4.39Å; Y120-I143 HydrophobicContact CE1-CG2 3.75Å; Y120-L147 HydrophobicContact CD1-CD1 3.81Å; Y120-L147 HydrophobicContact CE1-CD1 4.45Å; Y120-W188 VanDerWaalsContact CA-CH2 3.44Å; Y120-W188 HydrophobicContact CD2-CB 4.44Å; Y120-W188 AromaticContact CD2-CD2 3.48Å; Y120-W188 HydrophobicContact CD2-CD2 3.48Å; Y120-W188 VanDerWaalsContact CD2-CD2 3.48Å; Y120-W188 AromaticContact CD2-CE3 3.29Å; Y120-W188 HydrophobicContact CD2-CE3 3.29Å; Y120-W188 AromaticContact CD2-CG 3.99Å; Y120-W188 HydrophobicContact CD2-CG 3.99Å; Y120-W188 HydrophobicContact CD2-CH2 4.25Å; Y120-W188 HydrophobicContact CD2-CZ2 4.4Å; Y120-W188 AromaticContact CD2-CZ3 3.72Å; Y120-W188 HydrophobicContact CD2-CZ3 3.72Å; Y120-W188 HydrophobicContact CE2-CB 4.1Å; Y120-W188 HydrophobicContact CE2-CD2 4.05Å; Y120-W188 AromaticContact CE2-CE3 3.99Å; Y120-W188 HydrophobicContact CE2-CE3 3.99Å; Y120-W188 HydrophobicContact CE2-CG 4.1Å; Y120-W188 HydrophobicContact CG-CD2 4.45Å; Y120-W188 AromaticContact CG-CE3 3.92Å; Y120-W188 HydrophobicContact CG-CE3 3.92Å; Y120-W188 HydrophobicContact CG-CH2 4.39Å; Y120-W188 AromaticContact CG-CZ3 3.89Å; Y120-W188 HydrophobicContact CG-CZ3 3.89Å; Y120-W188 VanDerWaalsContact N-CH2 3.27Å; Y120-R192 HydrophobicContact CD1-CB 4.45Å; Y120-R192 HydrophobicContact CD1-CG 3.75Å; Y120-R192 HydrophobicContact CD2-CG 4.13Å; Y120-R192 HydrophobicContact CE1-CB 3.92Å; Y120-R192 HydrophobicContact CE1-CG 3.72Å; Y120-R192 HydrophobicContact CE2-CB 4.08Å; Y120-R192 HydrophobicContact CE2-CG 4.13Å; Y120-R192 HydrophobicContact CG-CG 3.98Å
121A97Very high89.2Confident0 Ų054.3 Ų54.30%026%0.258CS..Hα-helixtrans-61.4-38.2174.400000112.1D117 I118 L124 M125 L147 L151 W155 I158D117-A121 VanDerWaalsContact O-CB 3.3Å; D117-A121 WeakPolarHBondContact O-CB 3.07Å; D117-A121 PolarHBondContact O-N 2.81Å; I118-A121 PolarHBondContact O-N 3.09Å; A121-L124 PolarHBondContact O-N 3.4Å; A121-M125 WeakPolarHBondContact O-CB 3.3Å; A121-M125 PolarHBondContact O-N 3.46Å; A121-L147 HydrophobicContact CB-CB 4.39Å; A121-L147 HydrophobicContact CB-CD1 4.23Å; A121-L151 HydrophobicContact CB-CD1 3.91Å; A121-W155 HydrophobicContact CB-CZ3 4.17Å; A121-I158 HydrophobicContact CB-CD1 3.96Å; A121-I158 HydrophobicContact CB-CG2 4.15Å
122I96.8Very high88.5Confident5 Ų550.7 Ų50.73%0.02626%0.262CS..Hα-helixtrans-61.9-45.7173.3-67.6157.9000110.6I118 D119 Y120 M125 K126 I158 Q161 A162I118-I122 HydrophobicContact CG2-CD1 4.09Å; I118-I122 WeakPolarHBondContact O-CG1 3.32Å; I118-I122 PolarHBondContact O-N 3.02Å; D119-I122 PolarHBondContact O-N 2.87Å; Y120-I122 VanDerWaalsContact C-N 3.31Å; Y120-I122 PolarHBondContact O-N 3.3Å; I122-M125 PolarHBondContact O-N 2.95Å; I122-K126 WeakPolarHBondContact O-CG 3.43Å; I122-K126 PolarHBondContact O-N 3.43Å; I122-I158 HydrophobicContact CG1-CB 4.33Å; I122-I158 HydrophobicContact CG1-CG1 4.26Å; I122-I158 HydrophobicContact CG1-CG2 3.92Å; I122-Q161 VanDerWaalsContact CD1-CD 3.44Å; I122-Q161 HydrophobicContact CD1-CG 4.13Å; I122-Q161 HydrophobicContact CG2-CG 4.37Å; I122-A162 HydrophobicContact CG2-CB 4.31Å
123Y95.4Very high88.5Confident8 Ų850.5 Ų50.53%0.03127%0.269CS..Hα-helixtrans-59.6-48.6176.2162.6-102.7000112.7D119 Y120 M125 K126 R127 E184 W188D119-Y123 PolarHBondContact O-N 3.46Å; D119-Y123 VanDerWaalsContact O-N 3.1Å; Y120-Y123 AromaticContact CD2-CD1 3.72Å; Y120-Y123 HydrophobicContact CD2-CD1 3.72Å; Y120-Y123 HydrophobicContact CD2-CE1 4.42Å; Y120-Y123 AromaticContact CE2-CD1 3.56Å; Y120-Y123 HydrophobicContact CE2-CD1 3.56Å; Y120-Y123 AromaticContact CE2-CE1 3.83Å; Y120-Y123 HydrophobicContact CE2-CE1 3.83Å; Y120-Y123 WeakPolarHBondContact O-CB 3.33Å; Y120-Y123 PolarHBondContact O-N 3.35Å; Y120-Y123 VanDerWaalsContact O-N 3.16Å; Y123-M125 VanDerWaalsContact C-N 3.34Å; Y123-M125 PolarHBondContact O-N 3.33Å; Y123-K126 WeakPolarHBondContact O-CB 3.3Å; Y123-K126 PolarHBondContact O-N 3.16Å; Y123-R127 HydrophobicContact CE2-CG 4.31Å; Y123-R127 VanDerWaalsContact CZ-CD 3.48Å; Y123-R127 PolarHBondContact O-N 3.04Å; Y123-R127 VanDerWaalsContact O-N 3.11Å; Y123-R127 WeakPolarHBondContact OH-CD 3.36Å; Y123-E184 HydrophobicContact CD2-CG 3.8Å; Y123-E184 HydrophobicContact CE2-CG 4.14Å; Y123-W188 VanDerWaalsContact CB-NE1 3.26Å; Y123-W188 HydrophobicContact CD1-CB 4.28Å; Y123-W188 AromaticContact CD1-CD1 3.47Å; Y123-W188 VanDerWaalsContact CD1-CD1 3.47Å; Y123-W188 HydrophobicContact CD1-CD2 4.32Å; Y123-W188 AromaticContact CD1-CG 3.76Å; Y123-W188 HydrophobicContact CD1-CG 3.76Å; Y123-W188 AromaticContact CD1-NE1 3.86Å; Y123-W188 AromaticContact CD2-CD1 3.27Å; Y123-W188 HydrophobicContact CD2-CG 4.3Å; Y123-W188 AromaticContact CD2-NE1 3.53Å; Y123-W188 HydrophobicContact CE1-CB 3.97Å; Y123-W188 AromaticContact CE1-CD1 3.76Å; Y123-W188 AromaticContact CE1-CG 3.92Å; Y123-W188 HydrophobicContact CE1-CG 3.92Å; Y123-W188 AromaticContact CE2-CD1 3.57Å; Y123-W188 HydrophobicContact CE2-CG 4.44Å; Y123-W188 AromaticContact CG-CD1 3.2Å; Y123-W188 HydrophobicContact CG-CD2 4.42Å; Y123-W188 AromaticContact CG-CG 3.95Å; Y123-W188 HydrophobicContact CG-CG 3.95Å; Y123-W188 AromaticContact CG-NE1 3.26Å; Y123-W188 VanDerWaalsContact CG-NE1 3.26Å; Y123-W188 AromaticContact CZ-CD1 3.79Å
124L95.5Very high89Confident0 Ų051 Ų510%027%0.27CS..Hα-helixtrans-64.6-39.2178.3-66.7-177.6000111.7Y120 A121 K126 R127 N128 F134 E140 I143 F144 L147Y120-L124 HydrophobicContact CD1-CD1 4.16Å; Y120-L124 HydrophobicContact CD2-CG 4.29Å; Y120-L124 HydrophobicContact CE1-CD1 3.82Å; Y120-L124 HydrophobicContact CE1-CG 4.39Å; Y120-L124 HydrophobicContact CE2-CD1 4.33Å; Y120-L124 HydrophobicContact CE2-CD2 3.97Å; Y120-L124 HydrophobicContact CE2-CG 4.01Å; Y120-L124 WeakPolarHBondContact O-CG 3.48Å; Y120-L124 PolarHBondContact O-N 3Å; A121-L124 PolarHBondContact O-N 3.4Å; L124-K126 VanDerWaalsContact C-N 3.35Å; L124-K126 PolarHBondContact O-N 3.21Å; L124-R127 WeakPolarHBondContact O-CB 3.32Å; L124-R127 PolarHBondContact O-N 3.11Å; L124-R127 VanDerWaalsContact O-N 3.14Å; L124-N128 PolarHBondContact O-N 3.5Å; L124-F134 HydrophobicContact CB-CE2 4.45Å; L124-F134 HydrophobicContact CB-CZ 3.9Å; L124-F134 HydrophobicContact CD2-CE1 4.26Å; L124-F134 HydrophobicContact CD2-CZ 3.9Å; L124-F134 HydrophobicContact CG-CZ 4.44Å; L124-F134 WeakPolarHBondContact O-CE2 3.36Å; L124-F134 WeakPolarHBondContact O-CZ 3.46Å; L124-E140 HydrophobicContact CD2-CB 3.94Å; L124-E140 HydrophobicContact CD2-CG 4.34Å; L124-I143 HydrophobicContact CD1-CB 4.48Å; L124-I143 HydrophobicContact CD1-CG2 4.28Å; L124-F144 HydrophobicContact CB-CB 4.33Å; L124-F144 HydrophobicContact CB-CD2 3.55Å; L124-F144 HydrophobicContact CB-CE2 4.28Å; L124-F144 HydrophobicContact CB-CG 4.33Å; L124-F144 HydrophobicContact CD1-CB 4.01Å; L124-F144 HydrophobicContact CD1-CD2 4.45Å; L124-L147 HydrophobicContact CD1-CD1 4Å
125M95.7Very high89Confident9 Ų949.6 Ų49.64%0.04427%0.266CS..Hα-helixtrans-60.5-42.9173.8-178.56276.500111.7A121 I122 Y123 R127 N128 L129 F144 W155 I158 E159 A162A121-M125 WeakPolarHBondContact O-CB 3.3Å; A121-M125 PolarHBondContact O-N 3.46Å; I122-M125 PolarHBondContact O-N 2.95Å; Y123-M125 VanDerWaalsContact C-N 3.34Å; Y123-M125 PolarHBondContact O-N 3.33Å; M125-R127 VanDerWaalsContact C-N 3.28Å; M125-R127 PolarHBondContact O-N 3.04Å; M125-N128 PolarHBondContact O-N 3.35Å; M125-L129 HydrophobicContact CG-CD1 4.07Å; M125-L129 HydrophobicContact CG-CG 4.41Å; M125-L129 WeakPolarHBondContact O-CG 3.48Å; M125-L129 PolarHBondContact O-N 2.95Å; M125-L129 HydrophobicContact SD-CD1 4.35Å; M125-L129 HydrophobicContact SD-CG 4.2Å; M125-F144 HydrophobicContact CB-CE2 4.13Å; M125-F144 HydrophobicContact CE-CE2 4.07Å; M125-F144 HydrophobicContact CE-CZ 3.87Å; M125-F144 HydrophobicContact SD-CE2 4.33Å; M125-F144 HydrophobicContact SD-CZ 4.04Å; M125-W155 HydrophobicContact CE-CD2 4.24Å; M125-W155 HydrophobicContact CE-CH2 4.09Å; M125-W155 HydrophobicContact CE-CZ2 3.31Å; M125-I158 HydrophobicContact CB-CG2 4.19Å; M125-E159 HydrophobicContact CE-CB 4.29Å; M125-A162 HydrophobicContact CB-CB 3.78Å; M125-A162 HydrophobicContact CG-CB 3.44Å; M125-A162 VanDerWaalsContact CG-CB 3.44Å
126K94.9Very high88.3Confident5 Ų555.5 Ų55.52%0.02230%0.302CS..Hα-helixtrans-59.9-38.8174.4-73.3-173.2-62.5-177.50112.3I122 Y123 L124 K130 A162 Q165 L166 E169 E184I122-K126 WeakPolarHBondContact O-CG 3.43Å; I122-K126 PolarHBondContact O-N 3.43Å; Y123-K126 WeakPolarHBondContact O-CB 3.3Å; Y123-K126 PolarHBondContact O-N 3.16Å; L124-K126 VanDerWaalsContact C-N 3.35Å; L124-K126 PolarHBondContact O-N 3.21Å; K126-K130 WeakPolarHBondContact O-CG 3.26Å; K126-K130 PolarHBondContact O-N 2.85Å; K126-A162 HydrophobicContact CG-CB 3.7Å; K126-Q165 HydrophobicContact CD-CB 3.81Å; K126-Q165 VanDerWaalsContact CE-OE1 3.3Å; K126-L166 HydrophobicContact CB-CD1 4.48Å; K126-L166 HydrophobicContact CB-CD2 4.15Å; K126-L166 HydrophobicContact CB-CG 4.28Å; K126-L166 HydrophobicContact CG-CD2 4.33Å; K126-L166 HydrophobicContact CG-CG 4.08Å; K126-E169 IonicContact NZ-OE1 3.35Å; K126-E184 IonicContact NZ-OE1 3.2Å; K126-E184 PolarHBondContact NZ-OE1 2.5Å; K126-E184 IonicContact NZ-OE2 3.51Å; K126-E184 PolarHBondContact NZ-OE2 3.2Å
127R92.4Very high87.9Confident48 Ų4857 Ų5718%0.18131%0.314CS..Hα-helixtrans-66.1-43.8175.4-71.8-17461.4-145.4-0.6111.4Y123 L124 M125 L129 K130 F134 D138 E140Y123-R127 HydrophobicContact CE2-CG 4.31Å; Y123-R127 VanDerWaalsContact CZ-CD 3.48Å; Y123-R127 PolarHBondContact O-N 3.04Å; Y123-R127 VanDerWaalsContact O-N 3.11Å; Y123-R127 WeakPolarHBondContact OH-CD 3.36Å; L124-R127 WeakPolarHBondContact O-CB 3.32Å; L124-R127 PolarHBondContact O-N 3.11Å; L124-R127 VanDerWaalsContact O-N 3.14Å; M125-R127 VanDerWaalsContact C-N 3.28Å; M125-R127 PolarHBondContact O-N 3.04Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 3.39Å; R127-K130 PolarHBondContact O-N 2.76Å; R127-F134 HydrophobicContact CB-CE1 4.32Å; R127-F134 HydrophobicContact CB-CZ 4.14Å; R127-D138 IonicContact CZ-OD2 2.72Å; R127-D138 IonicContact NH1-OD2 3.22Å; R127-D138 IonicContact NH2-OD2 2.77Å; R127-D138 PolarHBondContact NH2-OD2 3.06Å; R127-E140 IonicContact CZ-OE2 2.67Å; R127-E140 IonicContact NH1-OE1 3.69Å; R127-E140 PolarHBondContact NH1-OE1 3.12Å; R127-E140 IonicContact NH1-OE2 2.81Å; R127-E140 PolarHBondContact NH1-OE2 2.91Å; R127-E140 IonicContact NH2-OE2 3.21Å
128N92.8Very high87.4Confident60 Ų6055 Ų5532%0.32130%0.304SS..Hα-helixtrans-62.6-37178.1-165.543.9000113.3L124 M125 K130 G133 F134 F144L124-N128 PolarHBondContact O-N 3.5Å; M125-N128 PolarHBondContact O-N 3.35Å; N128-K130 VanDerWaalsContact C-N 3.29Å; N128-K130 PolarHBondContact O-N 2.86Å; N128-G133 WeakPolarHBondContact O-CA 3.46Å; N128-F134 HydrophobicContact CB-CD2 3.85Å; N128-F134 HydrophobicContact CB-CE2 3.67Å; N128-F144 HydrophobicContact CB-CE1 4.3Å; N128-F144 HydrophobicContact CB-CZ 4.06Å
129L91.9Very high86.9Confident72 Ų7256.9 Ų56.938%0.37732%0.319SS..THydrogen-bonded Turntrans-75.4-11.7179.4-70.5174.4000113.9M125 R127 A162 A163 L166M125-L129 HydrophobicContact CG-CD1 4.07Å; M125-L129 HydrophobicContact CG-CG 4.41Å; M125-L129 WeakPolarHBondContact O-CG 3.48Å; M125-L129 PolarHBondContact O-N 2.95Å; M125-L129 HydrophobicContact SD-CD1 4.35Å; M125-L129 HydrophobicContact SD-CG 4.2Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 3.39Å; L129-A162 HydrophobicContact CD1-CB 4.24Å; L129-A163 HydrophobicContact CD1-CB 4.4Å; L129-L166 HydrophobicContact CB-CD1 3.55Å; L129-L166 HydrophobicContact CD1-CD1 4.02Å; L129-L166 HydrophobicContact CG-CD1 4.45Å
130K85.9Confident86.7Confident55 Ų5553.8 Ų53.824%0.23930%0.301CS..SBendtrans-76.9154.3175.1-73.5176.6-172.9-172.20110.1K126 R127 N128 G132 G133 L166 E169K126-K130 WeakPolarHBondContact O-CG 3.26Å; K126-K130 PolarHBondContact O-N 2.85Å; R127-K130 PolarHBondContact O-N 2.76Å; N128-K130 VanDerWaalsContact C-N 3.29Å; N128-K130 PolarHBondContact O-N 2.86Å; K130-G132 PolarHBondContact O-N 3.03Å; K130-G132 VanDerWaalsContact O-N 3.09Å; K130-G133 PolarHBondContact O-N 3.44Å; K130-L166 HydrophobicContact CD-CD2 4.36Å; K130-L166 HydrophobicContact CG-CD2 4.2Å; K130-E169 IonicContact NZ-OE2 3.87Å; K130-E169 PolarHBondContact NZ-OE2 3.42Å; K130-E169 VanDerWaalsContact NZ-OE2 3.08Å
131K72.6Confident86.4Confident225 Ų22555.3 Ų55.398%0.97831%0.31SS*.THydrogen-bonded Turntrans-55.2118.3179.8-75-172.7176.6-176.70110
132G70.3Confident86.1Confident71 Ų7160.7 Ų60.773%0.73234%0.335SS*.THydrogen-bonded Turntrans111.5-16.7-179.400000114.8K130K130-G132 PolarHBondContact O-N 3.03Å; K130-G132 VanDerWaalsContact O-N 3.09Å
133G78.9Confident85.9Confident33 Ų3362.8 Ų62.834%0.3435%0.345SS..  trans53.1-161-179.900000113.5N128 K130N128-G133 WeakPolarHBondContact O-CA 3.46Å; K130-G133 PolarHBondContact O-N 3.44Å
134F77.4Confident85.8Confident25 Ų2563.3 Ų63.311%0.1135%0.348CS..  trans-73.5134163.3-70.8-71.4000110.2L124 R127 N128 D138 E140 N141 F144L124-F134 HydrophobicContact CB-CE2 4.45Å; L124-F134 HydrophobicContact CB-CZ 3.9Å; L124-F134 HydrophobicContact CD2-CE1 4.26Å; L124-F134 HydrophobicContact CD2-CZ 3.9Å; L124-F134 HydrophobicContact CG-CZ 4.44Å; L124-F134 WeakPolarHBondContact O-CE2 3.36Å; L124-F134 WeakPolarHBondContact O-CZ 3.46Å; R127-F134 HydrophobicContact CB-CE1 4.32Å; R127-F134 HydrophobicContact CB-CZ 4.14Å; N128-F134 HydrophobicContact CB-CD2 3.85Å; N128-F134 HydrophobicContact CB-CE2 3.67Å; F134-D138 HydrophobicContact CD1-CB 4.3Å; F134-E140 HydrophobicContact CE1-CB 4.03Å; F134-N141 HydrophobicContact CB-CB 3.94Å; F134-N141 WeakPolarHBondContact CB-OD1 3.43Å; F134-N141 HydrophobicContact CD1-CB 4.49Å; F134-N141 HydrophobicContact CG-CB 4.2Å; F134-F144 HydrophobicContact CD2-CB 4.43Å; F134-F144 AromaticContact CD2-CD1 3.97Å; F134-F144 HydrophobicContact CD2-CD1 3.97Å; F134-F144 HydrophobicContact CD2-CE1 4.47Å; F134-F144 HydrophobicContact CD2-CG 4.23Å; F134-F144 HydrophobicContact CE2-CB 3.79Å; F134-F144 AromaticContact CE2-CD1 3.71Å; F134-F144 HydrophobicContact CE2-CD1 3.71Å; F134-F144 AromaticContact CE2-CD2 3.96Å; F134-F144 HydrophobicContact CE2-CD2 3.96Å; F134-F144 HydrophobicContact CE2-CE1 4.22Å; F134-F144 HydrophobicContact CE2-CE2 4.43Å; F134-F144 AromaticContact CE2-CG 3.54Å; F134-F144 HydrophobicContact CE2-CG 3.54Å; F134-F144 HydrophobicContact CZ-CB 4.17Å; F134-F144 HydrophobicContact CZ-CG 4.28Å
135Q77.3Confident85.7Confident136 Ų13667.4 Ų67.464%0.63637%0.367SS*.  trans-72.3146.2162.3-65.1-178.80.600108.3T137 D138Q135-T137 PolarHBondContact O-N 2.85Å; Q135-D138 VanDerWaalsContact O-CB 3.24Å; Q135-D138 WeakPolarHBondContact O-CB 3.34Å; Q135-D138 PolarHBondContact O-N 3.26Å
136T71.6Confident85.6Confident136 Ų13671.9 Ų71.983%0.83439%0.388SS*.THydrogen-bonded Turntrans-60.1-2217949.50000113.2
137T80Confident85.6Confident115 Ų11572.4 Ų72.471%0.70639%0.39SS*.THydrogen-bonded Turntrans-86.7-5.1176.3530000113.7Q135 P139Q135-T137 PolarHBondContact O-N 2.85Å; T137-P139 WeakPolarHBondContact O-CD 3.48Å
138D83.6Confident85.8Confident32 Ų3271.6 Ų71.617%0.17139%0.392CS..  trans-73.9118.5179.2-169.1-26.4000109.4R127 F134 Q135 E140 N141R127-D138 IonicContact CZ-OD2 2.72Å; R127-D138 IonicContact NH1-OD2 3.22Å; R127-D138 IonicContact NH2-OD2 2.77Å; R127-D138 PolarHBondContact NH2-OD2 3.06Å; F134-D138 HydrophobicContact CD1-CB 4.3Å; Q135-D138 VanDerWaalsContact O-CB 3.24Å; Q135-D138 WeakPolarHBondContact O-CB 3.34Å; Q135-D138 PolarHBondContact O-N 3.26Å; D138-E140 PolarHBondContact O-N 3.43Å; D138-E140 VanDerWaalsContact O-N 3.13Å; D138-E140 WeakPolarHBondContact OD1-CB 3.47Å; D138-E140 PolarHBondContact OD1-N 2.83Å; D138-N141 VanDerWaalsContact O-CB 3.26Å; D138-N141 WeakPolarHBondContact O-CB 3.08Å; D138-N141 PolarHBondContact O-N 2.97Å
139P85Confident85.9Confident77 Ų7776.1 Ų76.150%0.541%0.409SS..Hα-helixtrans-58.5-24.9178.625.6-36.6000113.3T137 N141 L194T137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-N141 VanDerWaalsContact C-N 3.27Å; P139-N141 PolarHBondContact O-N 3.45Å; P139-L194 HydrophobicContact CB-CD2 4.34Å; P139-L194 HydrophobicContact CG-CD1 3.73Å; P139-L194 HydrophobicContact CG-CD2 4.28Å; P139-L194 HydrophobicContact CG-CG 4.47Å
140E89.6Confident86.1Confident17 Ų1777 Ų778%0.07942%0.421CS..Hα-helixtrans-74.7-15.9177-70.4178.19700113.1Y120 L124 R127 F134 D138 H142 I143 F144 L194Y120-E140 PolarHBondContact OH-OE1 3.39Å; L124-E140 HydrophobicContact CD2-CB 3.94Å; L124-E140 HydrophobicContact CD2-CG 4.34Å; R127-E140 IonicContact CZ-OE2 2.67Å; R127-E140 IonicContact NH1-OE1 3.69Å; R127-E140 PolarHBondContact NH1-OE1 3.12Å; R127-E140 IonicContact NH1-OE2 2.81Å; R127-E140 PolarHBondContact NH1-OE2 2.91Å; R127-E140 IonicContact NH2-OE2 3.21Å; F134-E140 HydrophobicContact CE1-CB 4.03Å; D138-E140 PolarHBondContact O-N 3.43Å; D138-E140 VanDerWaalsContact O-N 3.13Å; D138-E140 WeakPolarHBondContact OD1-CB 3.47Å; D138-E140 PolarHBondContact OD1-N 2.83Å; E140-H142 PolarHBondContact O-N 3.37Å; E140-I143 PolarHBondContact O-N 2.88Å; E140-F144 WeakPolarHBondContact O-CB 3.38Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-L194 HydrophobicContact CG-CD1 4.3Å; E140-L194 HydrophobicContact CG-CD2 3.59Å
141N90.5Very high86.6Confident33 Ų3375.3 Ų75.318%0.17642%0.415CS..Hα-helixtrans-62.3-43.1175.9-173.461.9000111.6F134 D138 P139 I143 F144 E145F134-N141 HydrophobicContact CB-CB 3.94Å; F134-N141 WeakPolarHBondContact CB-OD1 3.43Å; F134-N141 HydrophobicContact CD1-CB 4.49Å; F134-N141 HydrophobicContact CG-CB 4.2Å; D138-N141 VanDerWaalsContact O-CB 3.26Å; D138-N141 WeakPolarHBondContact O-CB 3.08Å; D138-N141 PolarHBondContact O-N 2.97Å; P139-N141 VanDerWaalsContact C-N 3.27Å; P139-N141 PolarHBondContact O-N 3.45Å; N141-I143 VanDerWaalsContact C-N 3.32Å; N141-I143 PolarHBondContact O-N 3.07Å; N141-F144 WeakPolarHBondContact O-CB 3.37Å; N141-F144 PolarHBondContact O-N 3.44Å; N141-E145 PolarHBondContact ND2-OE1 3.34Å; N141-E145 WeakPolarHBondContact O-CG 3.29Å; N141-E145 PolarHBondContact O-N 3.21Å
142H89.6Confident87.8Confident113 Ų11370.3 Ų70.352%0.52340%0.399SS..Hα-helixtrans-60.7-43.5176.5-178.5-84.1000111.4E140 F144 E145 E146E140-H142 PolarHBondContact O-N 3.37Å; H142-F144 VanDerWaalsContact C-N 3.34Å; H142-F144 PolarHBondContact O-N 3.33Å; H142-E145 PolarHBondContact O-N 2.81Å; H142-E146 IonicContact CE1-OE1 2.63Å; H142-E146 PolarHBondContact CE1-OE1 3.42Å; H142-E146 IonicContact CE1-OE2 3.08Å; H142-E146 PolarHBondContact CE1-OE2 3.24Å; H142-E146 IonicContact ND1-OE1 2.86Å; H142-E146 IonicContact ND1-OE2 3.93Å; H142-E146 PolarHBondContact ND1-OE2 3.32Å; H142-E146 WeakPolarHBondContact O-CG 3.48Å; H142-E146 PolarHBondContact O-N 2.81Å
143I91.9Very high89Confident48 Ų4872.9 Ų72.925%0.24640%0.396CS..Hα-helixtrans-66.3-40179.5-54.2170.4000110.5Y120 L124 E140 N141 E145 E146 L147 L194Y120-I143 HydrophobicContact CD1-CG2 4.39Å; Y120-I143 HydrophobicContact CE1-CG2 3.75Å; L124-I143 HydrophobicContact CD1-CB 4.48Å; L124-I143 HydrophobicContact CD1-CG2 4.28Å; E140-I143 PolarHBondContact O-N 2.88Å; N141-I143 VanDerWaalsContact C-N 3.32Å; N141-I143 PolarHBondContact O-N 3.07Å; I143-E145 PolarHBondContact O-N 3.19Å; I143-E146 PolarHBondContact O-N 3.41Å; I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.32Å; I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 WeakPolarHBondContact O-CG 3.09Å; I143-L147 PolarHBondContact O-N 2.9Å; I143-L194 HydrophobicContact CD1-CD2 4.08Å
144F93.9Very high89.9Confident19 Ų1975.5 Ų75.58%0.08340%0.398CS..Hα-helixtrans-60.6-43.9174.9179.7-111.8000111.9L124 M125 N128 F134 E140 N141 H142 L147 S148 W155L124-F144 HydrophobicContact CB-CB 4.33Å; L124-F144 HydrophobicContact CB-CD2 3.55Å; L124-F144 HydrophobicContact CB-CE2 4.28Å; L124-F144 HydrophobicContact CB-CG 4.33Å; L124-F144 HydrophobicContact CD1-CB 4.01Å; L124-F144 HydrophobicContact CD1-CD2 4.45Å; M125-F144 HydrophobicContact CB-CE2 4.13Å; M125-F144 HydrophobicContact CE-CE2 4.07Å; M125-F144 HydrophobicContact CE-CZ 3.87Å; M125-F144 HydrophobicContact SD-CE2 4.33Å; M125-F144 HydrophobicContact SD-CZ 4.04Å; N128-F144 HydrophobicContact CB-CE1 4.3Å; N128-F144 HydrophobicContact CB-CZ 4.06Å; F134-F144 HydrophobicContact CD2-CB 4.43Å; F134-F144 AromaticContact CD2-CD1 3.97Å; F134-F144 HydrophobicContact CD2-CD1 3.97Å; F134-F144 HydrophobicContact CD2-CE1 4.47Å; F134-F144 HydrophobicContact CD2-CG 4.23Å; F134-F144 HydrophobicContact CE2-CB 3.79Å; F134-F144 AromaticContact CE2-CD1 3.71Å; F134-F144 HydrophobicContact CE2-CD1 3.71Å; F134-F144 AromaticContact CE2-CD2 3.96Å; F134-F144 HydrophobicContact CE2-CD2 3.96Å; F134-F144 HydrophobicContact CE2-CE1 4.22Å; F134-F144 HydrophobicContact CE2-CE2 4.43Å; F134-F144 AromaticContact CE2-CG 3.54Å; F134-F144 HydrophobicContact CE2-CG 3.54Å; F134-F144 HydrophobicContact CZ-CB 4.17Å; F134-F144 HydrophobicContact CZ-CG 4.28Å; E140-F144 WeakPolarHBondContact O-CB 3.38Å; E140-F144 PolarHBondContact O-N 3.07Å; N141-F144 WeakPolarHBondContact O-CB 3.37Å; N141-F144 PolarHBondContact O-N 3.44Å; H142-F144 VanDerWaalsContact C-N 3.34Å; H142-F144 PolarHBondContact O-N 3.33Å; F144-L147 PolarHBondContact O-N 3.4Å; F144-S148 WeakPolarHBondContact O-CB 3.45Å; F144-S148 PolarHBondContact O-N 3.06Å; F144-W155 AromaticContact CD2-CH2 3.84Å; F144-W155 HydrophobicContact CD2-CH2 3.84Å; F144-W155 HydrophobicContact CD2-CZ2 4.35Å; F144-W155 HydrophobicContact CE1-CZ2 4.21Å; F144-W155 AromaticContact CE2-CH2 3.39Å; F144-W155 HydrophobicContact CE2-CH2 3.39Å; F144-W155 AromaticContact CE2-CZ2 3.55Å; F144-W155 HydrophobicContact CE2-CZ2 3.55Å; F144-W155 AromaticContact CZ-CH2 3.83Å; F144-W155 HydrophobicContact CZ-CH2 3.83Å; F144-W155 AromaticContact CZ-CZ2 3.48Å; F144-W155 HydrophobicContact CZ-CZ2 3.48Å; F144-W155 VanDerWaalsContact CZ-CZ2 3.48Å
145E93.4Very high90.8Very high86 Ų8676.6 Ų76.640%0.40240%0.401SS..Hα-helixtrans-63.4-42.8175.7-73.2178.5-160.500112.1N141 H142 I143 S148 K149N141-E145 PolarHBondContact ND2-OE1 3.34Å; N141-E145 WeakPolarHBondContact O-CG 3.29Å; N141-E145 PolarHBondContact O-N 3.21Å; H142-E145 PolarHBondContact O-N 2.81Å; I143-E145 PolarHBondContact O-N 3.19Å; E145-S148 PolarHBondContact O-N 3.37Å; E145-S148 PolarHBondContact O-OG 3.2Å; E145-K149 WeakPolarHBondContact O-CG 3.44Å; E145-K149 PolarHBondContact O-N 2.91Å
146E93.8Very high91.7Very high104 Ų10476.2 Ų76.249%0.48640%0.397SS..Hα-helixtrans-62.5-46.7175.7-74.3-175.7139.300112.2H142 I143 S148 K149 S150H142-E146 IonicContact CE1-OE1 2.63Å; H142-E146 PolarHBondContact CE1-OE1 3.42Å; H142-E146 IonicContact CE1-OE2 3.08Å; H142-E146 PolarHBondContact CE1-OE2 3.24Å; H142-E146 IonicContact ND1-OE1 2.86Å; H142-E146 IonicContact ND1-OE2 3.93Å; H142-E146 PolarHBondContact ND1-OE2 3.32Å; H142-E146 WeakPolarHBondContact O-CG 3.48Å; H142-E146 PolarHBondContact O-N 2.81Å; I143-E146 PolarHBondContact O-N 3.41Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 2.85Å; E146-K149 PolarHBondContact O-N 3.29Å; E146-S150 PolarHBondContact O-N 2.96Å
147L95.6Very high92.9Very high15 Ų1575 Ų758%0.07939%0.385CS..Hα-helixtrans-63.4-35.9176.5-71.6174.8000111.8D117 Y120 A121 L124 I143 F144 K149 S150 L151D117-L147 HydrophobicContact CB-CD2 3.83Å; Y120-L147 HydrophobicContact CD1-CD1 3.81Å; Y120-L147 HydrophobicContact CE1-CD1 4.45Å; A121-L147 HydrophobicContact CB-CB 4.39Å; A121-L147 HydrophobicContact CB-CD1 4.23Å; L124-L147 HydrophobicContact CD1-CD1 4Å; I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.32Å; I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 WeakPolarHBondContact O-CG 3.09Å; I143-L147 PolarHBondContact O-N 2.9Å; F144-L147 PolarHBondContact O-N 3.4Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-S150 PolarHBondContact O-N 2.88Å; L147-L151 HydrophobicContact CD2-CD1 4.22Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 PolarHBondContact O-N 3.33Å
148S95.2Very high93.7Very high32 Ų3269.6 Ų69.622%0.22435%0.351CS..Hα-helixtrans-62.8-33.117680.70000113.4F144 E145 E146F144-S148 WeakPolarHBondContact O-CB 3.45Å; F144-S148 PolarHBondContact O-N 3.06Å; E145-S148 PolarHBondContact O-N 3.37Å; E145-S148 PolarHBondContact O-OG 3.2Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 2.85Å
149K96.3Very high94.4Very high154 Ų15471.5 Ų71.567%0.6736%0.359SS*.Hα-helixtrans-77.8-45.3175-67.4168.9-174.8166.60110.7E145 E146 L147E145-K149 WeakPolarHBondContact O-CG 3.44Å; E145-K149 PolarHBondContact O-N 2.91Å; E146-K149 PolarHBondContact O-N 3.29Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 3.43Å
150S96.8Very high94.9Very high90 Ų9072.9 Ų72.963%0.62936%0.362SS*.Hα-helixtrans-71.5-30.6-176.3-172.20000113.9E146 L147E146-S150 PolarHBondContact O-N 2.96Å; L147-S150 PolarHBondContact O-N 2.88Å
151L96.5Very high95.3Very high20 Ų2076 Ų7611%0.10538%0.376CS..THydrogen-bonded Turntrans-111.428.4-176.9-58.8173.9000111.8D117 I118 A121 L147 D153 K154 W155 I158D117-L151 HydrophobicContact CB-CD1 4.39Å; I118-L151 HydrophobicContact CG1-CD1 4.26Å; I118-L151 HydrophobicContact CG1-CD2 4.26Å; A121-L151 HydrophobicContact CB-CD1 3.91Å; L147-L151 HydrophobicContact CD2-CD1 4.22Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 PolarHBondContact O-N 3.33Å; L151-D153 VanDerWaalsContact C-N 3.29Å; L151-D153 PolarHBondContact O-N 3.1Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 3.27Å; L151-W155 PolarHBondContact O-N 2.91Å; L151-I158 HydrophobicContact CB-CD1 4.12Å; L151-I158 HydrophobicContact CD1-CD1 4.07Å
152N96Very high95.6Very high120 Ų12074.4 Ų74.464%0.64237%0.368SS*.G310 helixtrans-56.2-41.3-172.1-175-98.4000113.2K154 W155N152-K154 PolarHBondContact O-N 3.45Å; N152-W155 WeakPolarHBondContact O-CB 3.38Å; N152-W155 PolarHBondContact O-N 3.47Å
153D96.7Very high96Very high126 Ų12671.3 Ų71.367%0.67436%0.362SS*.G310 helixtrans-62-28.5177.865.6-43.8000112.9L151L151-D153 VanDerWaalsContact C-N 3.29Å; L151-D153 PolarHBondContact O-N 3.1Å
154K96.5Very high96.2Very high88 Ų8872.8 Ų72.838%0.38337%0.368SS..G310 helixtrans-102.8-3.9-179.5-61.9176.6-171.2-179.90113.3I118 L151 N152 K156 I157 I158I118-K154 HydrophobicContact CD1-CD 3.79Å; I118-K154 HydrophobicContact CG1-CD 4.46Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 3.27Å; N152-K154 PolarHBondContact O-N 3.45Å; K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.25Å; K154-I157 WeakPolarHBondContact O-CB 3.46Å; K154-I157 PolarHBondContact O-N 3.02Å; K154-I158 HydrophobicContact CB-CD1 4.33Å; K154-I158 PolarHBondContact O-N 3.34Å; K154-I158 VanDerWaalsContact O-N 3.1Å
155W96.8Very high96.2Very high48 Ų4874.9 Ų74.918%0.18238%0.378CS..Hα-helixtrans-60-36.4-169.4-162.3-111.8000113.4A121 M125 F144 L151 N152 I157 I158 E159A121-W155 HydrophobicContact CB-CZ3 4.17Å; M125-W155 HydrophobicContact CE-CD2 4.24Å; M125-W155 HydrophobicContact CE-CH2 4.09Å; M125-W155 HydrophobicContact CE-CZ2 3.31Å; F144-W155 AromaticContact CD2-CH2 3.84Å; F144-W155 HydrophobicContact CD2-CH2 3.84Å; F144-W155 HydrophobicContact CD2-CZ2 4.35Å; F144-W155 HydrophobicContact CE1-CZ2 4.21Å; F144-W155 AromaticContact CE2-CH2 3.39Å; F144-W155 HydrophobicContact CE2-CH2 3.39Å; F144-W155 AromaticContact CE2-CZ2 3.55Å; F144-W155 HydrophobicContact CE2-CZ2 3.55Å; F144-W155 AromaticContact CZ-CH2 3.83Å; F144-W155 HydrophobicContact CZ-CH2 3.83Å; F144-W155 AromaticContact CZ-CZ2 3.48Å; F144-W155 HydrophobicContact CZ-CZ2 3.48Å; F144-W155 VanDerWaalsContact CZ-CZ2 3.48Å; L151-W155 PolarHBondContact O-N 2.91Å; N152-W155 WeakPolarHBondContact O-CB 3.38Å; N152-W155 PolarHBondContact O-N 3.47Å; W155-I157 VanDerWaalsContact C-N 3.33Å; W155-I157 PolarHBondContact O-N 3.26Å; W155-I158 HydrophobicContact CE3-CD1 4.01Å; W155-I158 HydrophobicContact CE3-CG2 4.49Å; W155-I158 HydrophobicContact CZ3-CD1 4.45Å; W155-I158 WeakPolarHBondContact O-CB 3.41Å; W155-I158 PolarHBondContact O-N 2.76Å; W155-E159 PolarHBondContact O-N 3.41Å
156K96.6Very high96.3Very high127 Ų12771.2 Ų71.255%0.55236%0.361SS*.Hα-helixtrans-64.7-37.7177.6-171.765.3-167.3167.50112.6K154 E159 L160K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.25Å; K156-E159 IonicContact NZ-OE2 3Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; K156-L160 HydrophobicContact CG-CD1 4.41Å; K156-L160 VanDerWaalsContact O-CG 3.3Å; K156-L160 WeakPolarHBondContact O-CG 3.18Å; K156-L160 PolarHBondContact O-N 3.42Å; K156-L160 VanDerWaalsContact O-N 3.1Å
157I97.1Very high96.3Very high110 Ų11071.7 Ų71.756%0.56436%0.359SS*.Hα-helixtrans-68.8-42.5177.1-61.3174000109.6K154 W155 E159 L160 Q161K154-I157 WeakPolarHBondContact O-CB 3.46Å; K154-I157 PolarHBondContact O-N 3.02Å; W155-I157 VanDerWaalsContact C-N 3.33Å; W155-I157 PolarHBondContact O-N 3.26Å; I157-E159 PolarHBondContact O-N 2.92Å; I157-L160 PolarHBondContact O-N 3.45Å; I157-Q161 WeakPolarHBondContact O-CB 3.39Å; I157-Q161 PolarHBondContact O-N 3.44Å
158I97.2Very high96.2Very high2 Ų274.8 Ų74.81%0.0137%0.374CS..Hα-helixtrans-58.1-46.8175.7-69.1165.5000110.9I118 A121 I122 M125 L151 K154 W155 Q161 A162I118-I158 HydrophobicContact CG2-CD1 4.45Å; I118-I158 HydrophobicContact CG2-CG1 4.22Å; A121-I158 HydrophobicContact CB-CD1 3.96Å; A121-I158 HydrophobicContact CB-CG2 4.15Å; I122-I158 HydrophobicContact CG1-CB 4.33Å; I122-I158 HydrophobicContact CG1-CG1 4.26Å; I122-I158 HydrophobicContact CG1-CG2 3.92Å; M125-I158 HydrophobicContact CB-CG2 4.19Å; L151-I158 HydrophobicContact CB-CD1 4.12Å; L151-I158 HydrophobicContact CD1-CD1 4.07Å; K154-I158 HydrophobicContact CB-CD1 4.33Å; K154-I158 PolarHBondContact O-N 3.34Å; K154-I158 VanDerWaalsContact O-N 3.1Å; W155-I158 HydrophobicContact CE3-CD1 4.01Å; W155-I158 HydrophobicContact CE3-CG2 4.49Å; W155-I158 HydrophobicContact CZ3-CD1 4.45Å; W155-I158 WeakPolarHBondContact O-CB 3.41Å; W155-I158 PolarHBondContact O-N 2.76Å; I158-Q161 PolarHBondContact O-N 2.98Å; I158-A162 VanDerWaalsContact O-CB 3.3Å; I158-A162 WeakPolarHBondContact O-CB 3.25Å; I158-A162 PolarHBondContact O-N 2.96Å
159E96.7Very high96.1Very high72 Ų7274.5 Ų74.534%0.33637%0.37SS..Hα-helixtrans-59.8-48.2177.1-171.6-168.9-167.900112.1M125 W155 K156 I157 A162 A163M125-E159 HydrophobicContact CE-CB 4.29Å; W155-E159 PolarHBondContact O-N 3.41Å; K156-E159 IonicContact NZ-OE2 3Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; I157-E159 PolarHBondContact O-N 2.92Å; E159-A162 PolarHBondContact O-N 2.92Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.31Å
160L97.3Very high95.9Very high106 Ų10675.6 Ų75.656%0.55537%0.37SS*.Hα-helixtrans-62.9-43.8179.2-72.4171.7000111.8K156 I157 A163 E164K156-L160 HydrophobicContact CG-CD1 4.41Å; K156-L160 VanDerWaalsContact O-CG 3.3Å; K156-L160 WeakPolarHBondContact O-CG 3.18Å; K156-L160 PolarHBondContact O-N 3.42Å; K156-L160 VanDerWaalsContact O-N 3.1Å; I157-L160 PolarHBondContact O-N 3.45Å; L160-A163 PolarHBondContact O-N 2.89Å; L160-E164 WeakPolarHBondContact O-CB 3.34Å; L160-E164 PolarHBondContact O-N 3.34Å
161Q97.6Very high95.8Very high82 Ų8278.2 Ų78.238%0.38337%0.37SS..Hα-helixtrans-66.2-41.9179-175.8167.9-18.500111.7I122 I157 I158 E164 Q165I122-Q161 VanDerWaalsContact CD1-CD 3.44Å; I122-Q161 HydrophobicContact CD1-CG 4.13Å; I122-Q161 HydrophobicContact CG2-CG 4.37Å; I157-Q161 WeakPolarHBondContact O-CB 3.39Å; I157-Q161 PolarHBondContact O-N 3.44Å; I158-Q161 PolarHBondContact O-N 2.98Å; Q161-E164 PolarHBondContact O-N 3.43Å; Q161-Q165 WeakPolarHBondContact O-CG 3.4Å; Q161-Q165 PolarHBondContact O-N 3.32Å
162A96.7Very high95.7Very high0 Ų083.5 Ų83.50%039%0.388CS..Hα-helixtrans-62.4-45.5175.400000112I122 M125 K126 L129 I158 E159 E164 Q165 L166I122-A162 HydrophobicContact CG2-CB 4.31Å; M125-A162 HydrophobicContact CB-CB 3.78Å; M125-A162 HydrophobicContact CG-CB 3.44Å; M125-A162 VanDerWaalsContact CG-CB 3.44Å; K126-A162 HydrophobicContact CG-CB 3.7Å; L129-A162 HydrophobicContact CD1-CB 4.24Å; I158-A162 VanDerWaalsContact O-CB 3.3Å; I158-A162 WeakPolarHBondContact O-CB 3.25Å; I158-A162 PolarHBondContact O-N 2.96Å; E159-A162 PolarHBondContact O-N 2.92Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3.37Å; A162-Q165 PolarHBondContact O-N 2.87Å; A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.32Å
163A96.6Very high95.6Very high48 Ų4881.8 Ų81.840%0.39738%0.379SS..Hα-helixtrans-61.9-40.4177.400000112.2L129 E159 L160 L166 R167L129-A163 HydrophobicContact CD1-CB 4.4Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.31Å; L160-A163 PolarHBondContact O-N 2.89Å; A163-L166 PolarHBondContact O-N 2.79Å; A163-R167 WeakPolarHBondContact O-CB 3.46Å; A163-R167 PolarHBondContact O-N 3.25Å
164E96.6Very high95.4Very high80 Ų8081.9 Ų81.937%0.37438%0.375SS..Hα-helixtrans-66.4-43.1177.2178.855.7-163.400112.2L160 Q161 A162 L166 R167 L168L160-E164 WeakPolarHBondContact O-CB 3.34Å; L160-E164 PolarHBondContact O-N 3.34Å; Q161-E164 PolarHBondContact O-N 3.43Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3.37Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 2.91Å; E164-R167 WeakPolarHBondContact O-CB 3.37Å; E164-R167 PolarHBondContact O-N 3.14Å; E164-R167 IonicContact OE1-CZ 3.87Å; E164-R167 IonicContact OE1-NE 3.44Å; E164-R167 PolarHBondContact OE1-NE 3.43Å; E164-R167 IonicContact OE1-NH2 3.45Å; E164-R167 PolarHBondContact OE1-NH2 3.07Å; E164-R167 IonicContact OE2-CZ 3.53Å; E164-R167 IonicContact OE2-NE 2.56Å; E164-R167 PolarHBondContact OE2-NE 2.87Å; E164-R167 IonicContact OE2-NH2 3.56Å; E164-L168 WeakPolarHBondContact O-CG 3.43Å; E164-L168 PolarHBondContact O-N 3.32Å
165Q95.4Very high95.2Very high63 Ų6379.5 Ų79.529%0.29437%0.368SS..Hα-helixtrans-60.7-43.3174.7-73.2-175.418.200111.8K126 Q161 A162 R167 L168 E169K126-Q165 HydrophobicContact CD-CB 3.81Å; K126-Q165 VanDerWaalsContact CE-OE1 3.3Å; Q161-Q165 WeakPolarHBondContact O-CG 3.4Å; Q161-Q165 PolarHBondContact O-N 3.32Å; A162-Q165 PolarHBondContact O-N 2.87Å; Q165-R167 VanDerWaalsContact C-N 3.32Å; Q165-R167 PolarHBondContact O-N 2.9Å; Q165-L168 PolarHBondContact O-N 2.99Å; Q165-E169 WeakPolarHBondContact O-CG 3.39Å; Q165-E169 PolarHBondContact O-N 3.48Å
166L93.8Very high95.1Very high9 Ų980.9 Ų80.95%0.04738%0.379CS..Hα-helixtrans-62.9-37.4175-71.5176.5000112.8K126 L129 K130 A162 A163 E164 L168 E169 R170K126-L166 HydrophobicContact CB-CD1 4.48Å; K126-L166 HydrophobicContact CB-CD2 4.15Å; K126-L166 HydrophobicContact CB-CG 4.28Å; K126-L166 HydrophobicContact CG-CD2 4.33Å; K126-L166 HydrophobicContact CG-CG 4.08Å; L129-L166 HydrophobicContact CB-CD1 3.55Å; L129-L166 HydrophobicContact CD1-CD1 4.02Å; L129-L166 HydrophobicContact CG-CD1 4.45Å; K130-L166 HydrophobicContact CD-CD2 4.36Å; K130-L166 HydrophobicContact CG-CD2 4.2Å; A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.32Å; A163-L166 PolarHBondContact O-N 2.79Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 2.91Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L166-E169 PolarHBondContact O-N 3.12Å; L166-R170 VanDerWaalsContact O-CG 3.31Å; L166-R170 WeakPolarHBondContact O-CG 3.49Å; L166-R170 PolarHBondContact O-N 2.79Å; L166-R170 VanDerWaalsContact O-N 3.12Å
167R94.7Very high94.9Very high114 Ų11478.2 Ų78.243%0.4337%0.365SS..Hα-helixtrans-63.1-40.2176-170.1-166.470.190.9-0.5111.2A163 E164 Q165A163-R167 WeakPolarHBondContact O-CB 3.46Å; A163-R167 PolarHBondContact O-N 3.25Å; E164-R167 WeakPolarHBondContact O-CB 3.37Å; E164-R167 PolarHBondContact O-N 3.14Å; E164-R167 IonicContact OE1-CZ 3.87Å; E164-R167 IonicContact OE1-NE 3.44Å; E164-R167 PolarHBondContact OE1-NE 3.43Å; E164-R167 IonicContact OE1-NH2 3.45Å; E164-R167 PolarHBondContact OE1-NH2 3.07Å; E164-R167 IonicContact OE2-CZ 3.53Å; E164-R167 IonicContact OE2-NE 2.56Å; E164-R167 PolarHBondContact OE2-NE 2.87Å; E164-R167 IonicContact OE2-NH2 3.56Å; Q165-R167 VanDerWaalsContact C-N 3.32Å; Q165-R167 PolarHBondContact O-N 2.9Å
168L94Very high94.6Very high79 Ų7975.5 Ų75.541%0.41435%0.352SS..Hα-helixtrans-70-41.1175.6-65.7174.3000112.2E164 Q165 L166 R170 K171E164-L168 WeakPolarHBondContact O-CG 3.43Å; E164-L168 PolarHBondContact O-N 3.32Å; Q165-L168 PolarHBondContact O-N 2.99Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L168-R170 VanDerWaalsContact C-N 3.27Å; L168-R170 PolarHBondContact O-N 2.91Å; L168-K171 WeakPolarHBondContact O-CB 3.48Å; L168-K171 PolarHBondContact O-N 3.32Å; L168-K171 VanDerWaalsContact O-N 3.15Å
169E92.7Very high94.4Very high26 Ų2676.5 Ų76.512%0.12136%0.357CS..Hα-helixtrans-57-38.6175-78.6174.8-15000112.2K126 K130 Q165 L166 K171 R172 R177K126-E169 IonicContact NZ-OE1 3.35Å; K130-E169 IonicContact NZ-OE2 3.87Å; K130-E169 PolarHBondContact NZ-OE2 3.42Å; K130-E169 VanDerWaalsContact NZ-OE2 3.08Å; Q165-E169 WeakPolarHBondContact O-CG 3.39Å; Q165-E169 PolarHBondContact O-N 3.48Å; L166-E169 PolarHBondContact O-N 3.12Å; E169-K171 PolarHBondContact O-N 2.96Å; E169-R172 PolarHBondContact O-N 3.32Å; E169-R172 VanDerWaalsContact O-N 3.17Å; E169-R177 HydrophobicContact CB-CG 4.38Å
170R92.5Very high94.2Very high177 Ų17775.3 Ų75.367%0.66835%0.353SS*.THydrogen-bonded Turntrans-65.4-16179.8-73.5171.9-171.11774.6114.3L166 L168 R172L166-R170 VanDerWaalsContact O-CG 3.31Å; L166-R170 WeakPolarHBondContact O-CG 3.49Å; L166-R170 PolarHBondContact O-N 2.79Å; L166-R170 VanDerWaalsContact O-N 3.12Å; L168-R170 VanDerWaalsContact C-N 3.27Å; L168-R170 PolarHBondContact O-N 2.91Å; R170-R172 VanDerWaalsContact C-N 3.35Å
171K94.3Very high94Very high145 Ų14575.2 Ų75.263%0.6335%0.345SS*.THydrogen-bonded Turntrans-81.6-14.3176.9-62.6-177176.4-175.40113.4L168 E169L168-K171 WeakPolarHBondContact O-CB 3.48Å; L168-K171 PolarHBondContact O-N 3.32Å; L168-K171 VanDerWaalsContact O-N 3.15Å; E169-K171 PolarHBondContact O-N 2.96Å
172R93.5Very high93.7Very high132 Ų13272.9 Ų72.950%0.49834%0.335SS..SBendtrans-84.7159.8178-58.5-175.8-177.7-130.97.4110.3E169 R170 D176 L180E169-R172 PolarHBondContact O-N 3.32Å; E169-R172 VanDerWaalsContact O-N 3.17Å; R170-R172 VanDerWaalsContact C-N 3.35Å; R172-D176 HydrophobicContact CB-CB 4.47Å; R172-L180 VanDerWaalsContact CZ-CD1 3.42Å
173D94.2Very high93.6Very high83 Ų8374.3 Ų74.344%0.44434%0.342SS..  trans-61.9161.1168.466.187.5000110.7V175 D176 R177D173-V175 VanDerWaalsContact C-N 3.3Å; D173-V175 PolarHBondContact O-N 3.27Å; D173-V175 WeakPolarHBondContact OD1-CB 3.42Å; D173-V175 PolarHBondContact OD1-N 3.24Å; D173-V175 VanDerWaalsContact OD1-N 3.09Å; D173-D176 WeakPolarHBondContact OD1-CB 3.28Å; D173-D176 PolarHBondContact OD1-N 2.99Å; D173-D176 VanDerWaalsContact OD2-CB 3.32Å; D173-D176 WeakPolarHBondContact OD2-CB 3.17Å; D173-R177 VanDerWaalsContact O-CB 3.23Å; D173-R177 WeakPolarHBondContact O-CB 3.24Å; D173-R177 PolarHBondContact O-N 2.76Å
174E93.3Very high93.5Very high128 Ų12873.3 Ų73.360%0.59833%0.329SS*.Hα-helixtrans-63.6-36.5-174177164.8-159.100113N178E174-N178 WeakPolarHBondContact O-CB 3.16Å; E174-N178 PolarHBondContact O-N 3.29Å; E174-N178 PolarHBondContact O-ND2 3.22Å
175V92.5Very high93.3Very high39 Ų3971.6 Ų71.624%0.23632%0.321CS..Hα-helixtrans-70.3-51.1-176.3178.10000109.6P41 F42 D173 R177 N178 I179P41-V175 HydrophobicContact CB-CG1 4.17Å; P41-V175 HydrophobicContact CB-CG2 4.01Å; F42-V175 HydrophobicContact CD2-CG1 4.43Å; D173-V175 VanDerWaalsContact C-N 3.3Å; D173-V175 PolarHBondContact O-N 3.27Å; D173-V175 WeakPolarHBondContact OD1-CB 3.42Å; D173-V175 PolarHBondContact OD1-N 3.24Å; D173-V175 VanDerWaalsContact OD1-N 3.09Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; V175-N178 PolarHBondContact O-N 3.31Å; V175-N178 VanDerWaalsContact O-N 3.13Å; V175-I179 HydrophobicContact CG1-CD1 3.92Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 2.99Å
176D92.9Very high93.1Very high76 Ų7669.2 Ų69.241%0.40631%0.312SS..Hα-helixtrans-59.1-43.2176.5-83.82.7000111.3R172 D173 N178 I179 L180R172-D176 HydrophobicContact CB-CB 4.47Å; D173-D176 WeakPolarHBondContact OD1-CB 3.28Å; D173-D176 PolarHBondContact OD1-N 2.99Å; D173-D176 VanDerWaalsContact OD2-CB 3.32Å; D173-D176 WeakPolarHBondContact OD2-CB 3.17Å; D176-N178 VanDerWaalsContact C-N 3.31Å; D176-N178 PolarHBondContact O-N 2.94Å; D176-I179 PolarHBondContact O-N 3.29Å; D176-L180 WeakPolarHBondContact O-CB 2.8Å; D176-L180 WeakPolarHBondContact O-CD1 3.29Å; D176-L180 WeakPolarHBondContact O-CG 3.47Å; D176-L180 PolarHBondContact O-N 3.18Å
177R93Very high93.1Very high71 Ų7169.3 Ų69.327%0.26831%0.312SS..Hα-helixtrans-59.8-41.8176.5-177.6178.664.2-146.7-0.1111.9E169 D173 V175 R181E169-R177 HydrophobicContact CB-CG 4.38Å; D173-R177 VanDerWaalsContact O-CB 3.23Å; D173-R177 WeakPolarHBondContact O-CB 3.24Å; D173-R177 PolarHBondContact O-N 2.76Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; R177-R181 PolarHBondContact O-N 3.42Å; R177-R181 VanDerWaalsContact O-N 3.17Å
178N91.4Very high92.9Very high54 Ų5464.3 Ų64.329%0.28929%0.293SS..Hα-helixtrans-70.7-39.1178.9-71.2-22.1000111.9F42 E174 V175 D176 R181 L182F42-N178 HydrophobicContact CD2-CB 4.31Å; F42-N178 HydrophobicContact CE2-CB 3.66Å; F42-N178 HydrophobicContact CZ-CB 4.49Å; E174-N178 WeakPolarHBondContact O-CB 3.16Å; E174-N178 PolarHBondContact O-N 3.29Å; E174-N178 PolarHBondContact O-ND2 3.22Å; V175-N178 PolarHBondContact O-N 3.31Å; V175-N178 VanDerWaalsContact O-N 3.13Å; D176-N178 VanDerWaalsContact C-N 3.31Å; D176-N178 PolarHBondContact O-N 2.94Å; N178-R181 WeakPolarHBondContact O-CB 3.32Å; N178-R181 PolarHBondContact O-N 2.82Å; N178-L182 PolarHBondContact O-N 3.39Å
179I92.6Very high92.7Very high22 Ų2266 Ų6611%0.11330%0.298CS..Hα-helixtrans-63.9-45.5176.2-67.5167.5000110.9F42 V175 D176 R181 L182 Q183F42-I179 HydrophobicContact CD2-CG1 4.07Å; F42-I179 HydrophobicContact CE2-CG1 4.01Å; V175-I179 HydrophobicContact CG1-CD1 3.92Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 2.99Å; D176-I179 PolarHBondContact O-N 3.29Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.26Å; I179-L182 PolarHBondContact O-N 3.49Å; I179-L182 VanDerWaalsContact O-N 3.15Å; I179-Q183 HydrophobicContact CG2-CG 4.44Å; I179-Q183 WeakPolarHBondContact O-CG 3.04Å; I179-Q183 PolarHBondContact O-N 3.36Å
180L93Very high92.4Very high47 Ų4765.8 Ų65.825%0.24630%0.298CS..Hα-helixtrans-60.8-39.1177.6-70.8162000112.1R172 D176 Q183 E184R172-L180 VanDerWaalsContact CZ-CD1 3.42Å; D176-L180 WeakPolarHBondContact O-CB 2.8Å; D176-L180 WeakPolarHBondContact O-CD1 3.29Å; D176-L180 WeakPolarHBondContact O-CG 3.47Å; D176-L180 PolarHBondContact O-N 3.18Å; L180-Q183 PolarHBondContact O-N 3.2Å; L180-E184 PolarHBondContact O-N 3.27Å
181R91.8Very high92.2Very high105 Ų10557.6 Ų57.640%0.39627%0.267SS..Hα-helixtrans-61.1-46.7174.5179.5-173.9173.6173.4-1.7111.2R177 N178 I179 Q183 E184 E185R177-R181 PolarHBondContact O-N 3.42Å; R177-R181 VanDerWaalsContact O-N 3.17Å; N178-R181 WeakPolarHBondContact O-CB 3.32Å; N178-R181 PolarHBondContact O-N 2.82Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.26Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; R181-E184 PolarHBondContact O-N 3.18Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 PolarHBondContact O-N 3.17Å
182L92.5Very high91.8Very high32 Ų3253.8 Ų53.817%0.16825%0.248CC..Hα-helixtrans-65.2-37.5178.1-73.3-178.5000112.6F42 F82 I84 N178 I179 E185 A186F42-L182 HydrophobicContact CE1-CD1 4.3Å; F42-L182 HydrophobicContact CE2-CD1 4.19Å; F42-L182 HydrophobicContact CZ-CD1 3.46Å; F42-L182 VanDerWaalsContact CZ-CD1 3.46Å; F82-L182 HydrophobicContact CD2-CB 4.29Å; F82-L182 HydrophobicContact CE2-CB 3.77Å; I84-L182 HydrophobicContact CB-CD1 4.44Å; I84-L182 HydrophobicContact CG2-CD1 3.87Å; N178-L182 PolarHBondContact O-N 3.39Å; I179-L182 PolarHBondContact O-N 3.49Å; I179-L182 VanDerWaalsContact O-N 3.15Å; L182-E185 PolarHBondContact O-N 2.85Å; L182-A186 VanDerWaalsContact O-CB 3.25Å; L182-A186 WeakPolarHBondContact O-CB 3.47Å; L182-A186 PolarHBondContact O-N 2.92Å
183Q94.3Very high91.5Very high30 Ų3049.3 Ų49.314%0.1424%0.236CC..Hα-helixtrans-61.3-47.8175-77.3-177.6-28.900111.7F82 Q103 Y107 I179 L180 R181 A186 F187F82-Q183 HydrophobicContact CE1-CG 3.56Å; F82-Q183 HydrophobicContact CE2-CG 4.46Å; F82-Q183 HydrophobicContact CZ-CG 3.5Å; F82-Q183 VanDerWaalsContact CZ-CG 3.5Å; Q103-Q183 PolarHBondContact NE2-O 3.45Å; Q103-Q183 VanDerWaalsContact OE1-CB 3.31Å; Y107-Q183 HydrophobicContact CD2-CB 4.25Å; Y107-Q183 HydrophobicContact CE2-CB 3.91Å; I179-Q183 HydrophobicContact CG2-CG 4.44Å; I179-Q183 WeakPolarHBondContact O-CG 3.04Å; I179-Q183 PolarHBondContact O-N 3.36Å; L180-Q183 PolarHBondContact O-N 3.2Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; Q183-A186 PolarHBondContact O-N 2.81Å; Q183-F187 PolarHBondContact O-N 3.16Å
184E94.4Very high90.9Very high28 Ų2848.8 Ų48.813%0.13123%0.233CC..Hα-helixtrans-66.3-41.8177.9-173.1175.1-15400111.9Y123 K126 L180 R181 A186 F187 W188Y123-E184 HydrophobicContact CD2-CG 3.8Å; Y123-E184 HydrophobicContact CE2-CG 4.14Å; K126-E184 IonicContact NZ-OE1 3.2Å; K126-E184 PolarHBondContact NZ-OE1 2.5Å; K126-E184 IonicContact NZ-OE2 3.51Å; K126-E184 PolarHBondContact NZ-OE2 3.2Å; L180-E184 PolarHBondContact O-N 3.27Å; R181-E184 PolarHBondContact O-N 3.18Å; E184-A186 PolarHBondContact O-N 3.3Å; E184-F187 WeakPolarHBondContact O-CB 3.07Å; E184-F187 PolarHBondContact O-N 3.03Å; E184-W188 PolarHBondContact O-N 2.59Å
185E92Very high90.1Very high43 Ų4346.3 Ų46.320%0.20124%0.242CC..Hα-helixtrans-60.9-44.7175.3-179.5-179.9156.100111.7R181 L182 F187 W188 K189R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 PolarHBondContact O-N 3.17Å; L182-E185 PolarHBondContact O-N 2.85Å; E185-F187 VanDerWaalsContact C-N 3.32Å; E185-F187 PolarHBondContact O-N 3.44Å; E185-W188 PolarHBondContact O-N 3.15Å; E185-K189 HydrophobicContact CG-CD 4.35Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 2.92Å; E185-K189 WeakPolarHBondContact OE1-CE 3.17Å; E185-K189 IonicContact OE1-NZ 2.74Å; E185-K189 PolarHBondContact OE1-NZ 3.02Å
186A91.6Very high88.9Confident13 Ų1354.6 Ų54.611%0.10728%0.275CS..Hα-helixtrans-63.4-38.617700000112.3F82 L182 Q183 E184 K189 V190F82-A186 HydrophobicContact CB-CB 3.3Å; F82-A186 HydrophobicContact CD1-CB 4.36Å; F82-A186 HydrophobicContact CD2-CB 4.29Å; F82-A186 HydrophobicContact CG-CB 3.75Å; L182-A186 VanDerWaalsContact O-CB 3.25Å; L182-A186 WeakPolarHBondContact O-CB 3.47Å; L182-A186 PolarHBondContact O-N 2.92Å; Q183-A186 PolarHBondContact O-N 2.81Å; E184-A186 PolarHBondContact O-N 3.3Å; A186-K189 PolarHBondContact O-N 3.48Å; A186-V190 WeakPolarHBondContact O-CG2 3.45Å; A186-V190 PolarHBondContact O-N 2.87Å
187F92.8Very high87.6Confident11 Ų1153.8 Ų53.85%0.04828%0.279CS..Hα-helixtrans-58.7-51173167.5-98000111.1Y107 I112 V115 Q183 E184 E185 K189 V190 Y191Y107-F187 HydrophobicContact CD1-CB 3.66Å; Y107-F187 HydrophobicContact CD1-CD1 4.02Å; Y107-F187 AromaticContact CD1-CD2 3.54Å; Y107-F187 HydrophobicContact CD1-CD2 3.54Å; Y107-F187 HydrophobicContact CD1-CE2 4.11Å; Y107-F187 AromaticContact CD1-CG 3.46Å; Y107-F187 HydrophobicContact CD1-CG 3.46Å; Y107-F187 VanDerWaalsContact CD1-CG 3.46Å; Y107-F187 HydrophobicContact CE1-CB 4.22Å; Y107-F187 HydrophobicContact CE1-CD1 4.28Å; Y107-F187 HydrophobicContact CE1-CG 4.1Å; Y107-F187 HydrophobicContact CG-CB 3.97Å; Y107-F187 HydrophobicContact CG-CD2 4.07Å; Y107-F187 HydrophobicContact CG-CG 4.14Å; I112-F187 HydrophobicContact CB-CE2 4.36Å; I112-F187 HydrophobicContact CD1-CE2 3.61Å; I112-F187 HydrophobicContact CD1-CZ 3.76Å; I112-F187 HydrophobicContact CG2-CE2 4.34Å; I112-F187 HydrophobicContact CG2-CZ 4.17Å; V115-F187 HydrophobicContact CG1-CE1 4.1Å; V115-F187 HydrophobicContact CG1-CE2 4.42Å; V115-F187 HydrophobicContact CG1-CZ 3.52Å; Q183-F187 PolarHBondContact O-N 3.16Å; E184-F187 WeakPolarHBondContact O-CB 3.07Å; E184-F187 PolarHBondContact O-N 3.03Å; E185-F187 VanDerWaalsContact C-N 3.32Å; E185-F187 PolarHBondContact O-N 3.44Å; F187-K189 VanDerWaalsContact C-N 3.34Å; F187-K189 PolarHBondContact O-N 3.35Å; F187-V190 WeakPolarHBondContact O-CB 3.29Å; F187-V190 PolarHBondContact O-N 2.82Å; F187-V190 VanDerWaalsContact O-N 3.11Å; F187-Y191 AromaticContact CD2-CD2 3.85Å; F187-Y191 HydrophobicContact CD2-CD2 3.85Å; F187-Y191 AromaticContact CD2-CE2 3.58Å; F187-Y191 HydrophobicContact CD2-CE2 3.58Å; F187-Y191 HydrophobicContact CE1-CD2 4.42Å; F187-Y191 AromaticContact CE2-CD2 3.57Å; F187-Y191 HydrophobicContact CE2-CD2 3.57Å; F187-Y191 AromaticContact CE2-CE2 3.17Å; F187-Y191 HydrophobicContact CE2-CE2 3.17Å; F187-Y191 AromaticContact CE2-CZ 3.93Å; F187-Y191 HydrophobicContact CG-CD2 4.42Å; F187-Y191 AromaticContact CZ-CD2 3.89Å; F187-Y191 HydrophobicContact CZ-CD2 3.89Å; F187-Y191 AromaticContact CZ-CE2 3.87Å; F187-Y191 HydrophobicContact CZ-CE2 3.87Å; F187-Y191 WeakPolarHBondContact O-CD2 3.18Å; F187-Y191 PolarHBondContact O-N 2.78Å
188W91.9Very high86.2Confident10 Ų1057.5 Ų57.54%0.03830%0.297CS..Hα-helixtrans-66.1-34.3-179.4-72.3114.6000113.3V115 D119 Y120 Y123 E184 E185 V190 Y191 R192V115-W188 HydrophobicContact CB-CH2 4.19Å; V115-W188 HydrophobicContact CB-CZ3 3.91Å; V115-W188 HydrophobicContact CG1-CH2 4.45Å; V115-W188 HydrophobicContact CG1-CZ3 4.2Å; V115-W188 HydrophobicContact CG2-CZ3 3.98Å; D119-W188 HydrophobicContact CB-CH2 3.73Å; D119-W188 HydrophobicContact CB-CZ2 3.98Å; D119-W188 WeakPolarHBondContact O-CZ2 3.46Å; Y120-W188 VanDerWaalsContact CA-CH2 3.44Å; Y120-W188 HydrophobicContact CD2-CB 4.44Å; Y120-W188 AromaticContact CD2-CD2 3.48Å; Y120-W188 HydrophobicContact CD2-CD2 3.48Å; Y120-W188 VanDerWaalsContact CD2-CD2 3.48Å; Y120-W188 AromaticContact CD2-CE3 3.29Å; Y120-W188 HydrophobicContact CD2-CE3 3.29Å; Y120-W188 AromaticContact CD2-CG 3.99Å; Y120-W188 HydrophobicContact CD2-CG 3.99Å; Y120-W188 HydrophobicContact CD2-CH2 4.25Å; Y120-W188 HydrophobicContact CD2-CZ2 4.4Å; Y120-W188 AromaticContact CD2-CZ3 3.72Å; Y120-W188 HydrophobicContact CD2-CZ3 3.72Å; Y120-W188 HydrophobicContact CE2-CB 4.1Å; Y120-W188 HydrophobicContact CE2-CD2 4.05Å; Y120-W188 AromaticContact CE2-CE3 3.99Å; Y120-W188 HydrophobicContact CE2-CE3 3.99Å; Y120-W188 HydrophobicContact CE2-CG 4.1Å; Y120-W188 HydrophobicContact CG-CD2 4.45Å; Y120-W188 AromaticContact CG-CE3 3.92Å; Y120-W188 HydrophobicContact CG-CE3 3.92Å; Y120-W188 HydrophobicContact CG-CH2 4.39Å; Y120-W188 AromaticContact CG-CZ3 3.89Å; Y120-W188 HydrophobicContact CG-CZ3 3.89Å; Y120-W188 VanDerWaalsContact N-CH2 3.27Å; Y123-W188 VanDerWaalsContact CB-NE1 3.26Å; Y123-W188 HydrophobicContact CD1-CB 4.28Å; Y123-W188 AromaticContact CD1-CD1 3.47Å; Y123-W188 VanDerWaalsContact CD1-CD1 3.47Å; Y123-W188 HydrophobicContact CD1-CD2 4.32Å; Y123-W188 AromaticContact CD1-CG 3.76Å; Y123-W188 HydrophobicContact CD1-CG 3.76Å; Y123-W188 AromaticContact CD1-NE1 3.86Å; Y123-W188 AromaticContact CD2-CD1 3.27Å; Y123-W188 HydrophobicContact CD2-CG 4.3Å; Y123-W188 AromaticContact CD2-NE1 3.53Å; Y123-W188 HydrophobicContact CE1-CB 3.97Å; Y123-W188 AromaticContact CE1-CD1 3.76Å; Y123-W188 AromaticContact CE1-CG 3.92Å; Y123-W188 HydrophobicContact CE1-CG 3.92Å; Y123-W188 AromaticContact CE2-CD1 3.57Å; Y123-W188 HydrophobicContact CE2-CG 4.44Å; Y123-W188 AromaticContact CG-CD1 3.2Å; Y123-W188 HydrophobicContact CG-CD2 4.42Å; Y123-W188 AromaticContact CG-CG 3.95Å; Y123-W188 HydrophobicContact CG-CG 3.95Å; Y123-W188 AromaticContact CG-NE1 3.26Å; Y123-W188 VanDerWaalsContact CG-NE1 3.26Å; Y123-W188 AromaticContact CZ-CD1 3.79Å; E184-W188 PolarHBondContact O-N 2.59Å; E185-W188 PolarHBondContact O-N 3.15Å; W188-V190 PolarHBondContact O-N 3.44Å; W188-Y191 PolarHBondContact O-N 3.42Å; W188-R192 HydrophobicContact CE3-CG 4.06Å; W188-R192 HydrophobicContact CZ3-CG 4.38Å; W188-R192 CarbonylContact O-C 3.59Å; W188-R192 WeakPolarHBondContact O-CA 3.39Å; W188-R192 WeakPolarHBondContact O-CB 3.37Å; W188-R192 PolarHBondContact O-N 3.38Å
189K88.5Confident84.9Confident115 Ų11556.4 Ų56.450%0.529%0.289SS..Hα-helixtrans-59.3-29.5173.5-76.2175.7-178.3172.20113.3E185 A186 F187 P193E185-K189 HydrophobicContact CG-CD 4.35Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 2.92Å; E185-K189 WeakPolarHBondContact OE1-CE 3.17Å; E185-K189 IonicContact OE1-NZ 2.74Å; E185-K189 PolarHBondContact OE1-NZ 3.02Å; A186-K189 PolarHBondContact O-N 3.48Å; F187-K189 VanDerWaalsContact C-N 3.34Å; F187-K189 PolarHBondContact O-N 3.35Å; K189-P193 WeakPolarHBondContact O-CA 3.06Å
190V87.5Confident83.5Confident21 Ų2162.1 Ų62.113%0.12731%0.313CS..Hα-helixtrans-75.3-49.91761740000111.1L109 A186 F187 W188 Y199L109-V190 HydrophobicContact CD2-CG1 4.2Å; A186-V190 WeakPolarHBondContact O-CG2 3.45Å; A186-V190 PolarHBondContact O-N 2.87Å; F187-V190 WeakPolarHBondContact O-CB 3.29Å; F187-V190 PolarHBondContact O-N 2.82Å; F187-V190 VanDerWaalsContact O-N 3.11Å; W188-V190 PolarHBondContact O-N 3.44Å; V190-Y199 HydrophobicContact CG1-CE2 4.17Å; V190-Y199 WeakPolarHBondContact O-CD2 3.39Å
191Y87.1Confident82.1Confident5 Ų561.5 Ų61.52%0.0231%0.31CS..Hα-helixtrans-85-20.3-174.8-72-93.7000115.2L109 I112 V115 F187 W188 P193 Y199L109-Y191 HydrophobicContact CD2-CE1 4.37Å; L109-Y191 HydrophobicContact CD2-CE2 4.07Å; L109-Y191 WeakPolarHBondContact CD2-OH 3.38Å; I112-Y191 HydrophobicContact CG2-CE1 4.41Å; I112-Y191 WeakPolarHBondContact O-CE1 3.34Å; I112-Y191 PolarHBondContact O-OH 3.49Å; V115-Y191 HydrophobicContact CB-CD1 4.35Å; V115-Y191 HydrophobicContact CG1-CD1 3.59Å; V115-Y191 HydrophobicContact CG1-CD2 4.17Å; V115-Y191 HydrophobicContact CG1-CE1 3.91Å; V115-Y191 HydrophobicContact CG1-CG 3.71Å; V115-Y191 HydrophobicContact CG2-CD1 3.85Å; V115-Y191 HydrophobicContact CG2-CG 4.02Å; F187-Y191 AromaticContact CD2-CD2 3.85Å; F187-Y191 HydrophobicContact CD2-CD2 3.85Å; F187-Y191 AromaticContact CD2-CE2 3.58Å; F187-Y191 HydrophobicContact CD2-CE2 3.58Å; F187-Y191 HydrophobicContact CE1-CD2 4.42Å; F187-Y191 AromaticContact CE2-CD2 3.57Å; F187-Y191 HydrophobicContact CE2-CD2 3.57Å; F187-Y191 AromaticContact CE2-CE2 3.17Å; F187-Y191 HydrophobicContact CE2-CE2 3.17Å; F187-Y191 AromaticContact CE2-CZ 3.93Å; F187-Y191 HydrophobicContact CG-CD2 4.42Å; F187-Y191 AromaticContact CZ-CD2 3.89Å; F187-Y191 HydrophobicContact CZ-CD2 3.89Å; F187-Y191 AromaticContact CZ-CE2 3.87Å; F187-Y191 HydrophobicContact CZ-CE2 3.87Å; F187-Y191 WeakPolarHBondContact O-CD2 3.18Å; F187-Y191 PolarHBondContact O-N 2.78Å; W188-Y191 PolarHBondContact O-N 3.42Å; Y191-P193 VanDerWaalsContact C-CD 3.47Å; Y191-Y199 HydrophobicContact CD1-CE1 4.07Å; Y191-Y199 AromaticContact CD1-CE2 3.99Å; Y191-Y199 HydrophobicContact CD1-CE2 3.99Å; Y191-Y199 AromaticContact CD1-CZ 3.58Å; Y191-Y199 HydrophobicContact CE1-CE1 4.45Å; Y191-Y199 HydrophobicContact CE1-CE2 4.38Å; Y191-Y199 AromaticContact CE1-CZ 3.78Å; Y191-Y199 WeakPolarHBondContact CE1-OH 3.05Å; Y191-Y199 HydrophobicContact CG-CE2 4.34Å
192R87.6Confident80.5Confident64 Ų6460.1 Ų60.124%0.24231%0.313CS..SBendtrans-13462.5-179.9-65.5-68.9-175-83.70.2109.5D117 Y120 W188D117-R192 IonicContact OD1-CZ 3.94Å; D117-R192 IonicContact OD1-NE 2.74Å; D117-R192 IonicContact OD1-NH2 3.65Å; D117-R192 PolarHBondContact OD1-NH2 3.46Å; Y120-R192 HydrophobicContact CD1-CB 4.45Å; Y120-R192 HydrophobicContact CD1-CG 3.75Å; Y120-R192 HydrophobicContact CD2-CG 4.13Å; Y120-R192 HydrophobicContact CE1-CB 3.92Å; Y120-R192 HydrophobicContact CE1-CG 3.72Å; Y120-R192 HydrophobicContact CE2-CB 4.08Å; Y120-R192 HydrophobicContact CE2-CG 4.13Å; Y120-R192 HydrophobicContact CG-CG 3.98Å; W188-R192 HydrophobicContact CE3-CG 4.06Å; W188-R192 HydrophobicContact CZ3-CG 4.38Å; W188-R192 CarbonylContact O-C 3.59Å; W188-R192 WeakPolarHBondContact O-CA 3.39Å; W188-R192 WeakPolarHBondContact O-CB 3.37Å; W188-R192 PolarHBondContact O-N 3.38Å
193P85.4Confident78.8Confident38 Ų3863.3 Ų63.325%0.24733%0.33CS..  trans-63.9142.5179.527.7-35.2000111.3K189 Y191 A197K189-P193 WeakPolarHBondContact O-CA 3.06Å; Y191-P193 VanDerWaalsContact C-CD 3.47Å; P193-A197 HydrophobicContact CB-CB 3.89Å; P193-A197 HydrophobicContact CG-CB 4.39Å; P193-A197 VanDerWaalsContact CG-O 3.26Å; P193-A197 WeakPolarHBondContact CG-O 3.34Å
194L81.9Confident77.3Confident72 Ų7265.2 Ų65.238%0.37735%0.351SS..  trans-83.6146.8-179.6-60.1171.2000111.7P139 E140 I143P139-L194 HydrophobicContact CB-CD2 4.34Å; P139-L194 HydrophobicContact CG-CD1 3.73Å; P139-L194 HydrophobicContact CG-CD2 4.28Å; P139-L194 HydrophobicContact CG-CG 4.47Å; E140-L194 HydrophobicContact CG-CD1 4.3Å; E140-L194 HydrophobicContact CG-CD2 3.59Å; I143-L194 HydrophobicContact CD1-CD2 4.08Å
195G76.5Confident75.8Confident76 Ų7671.6 Ų71.678%0.78439%0.386SS*.THydrogen-bonded Turntrans80.9-142.6176.200000114.1A197G195-A197 VanDerWaalsContact C-N 3.26Å; G195-A197 PolarHBondContact O-N 3.27Å
196K67.3Low74.5Confident213 Ų21373.3 Ų73.393%0.92640%0.4SS*.THydrogen-bonded Turntrans-79.9-5.9-178.3-65.3-174.5-179.3-179.90113.7K198K196-K198 PolarHBondContact O-N 2.93Å
197A65.9Low73.1Confident59 Ų5978.8 Ų78.849%0.48842%0.418SS..  trans-68.2119.3176.700000108.4P193 G195P193-A197 HydrophobicContact CB-CB 3.89Å; P193-A197 HydrophobicContact CG-CB 4.39Å; P193-A197 VanDerWaalsContact CG-O 3.26Å; P193-A197 WeakPolarHBondContact CG-O 3.34Å; G195-A197 VanDerWaalsContact C-N 3.26Å; G195-A197 PolarHBondContact O-N 3.27Å
198K63.3Low72Confident149 Ų14984.8 Ų84.865%0.64845%0.451SS*.  trans-88.2149.1170.7-70.2-176.1175.5-176.40109.5K196 K200K196-K198 PolarHBondContact O-N 2.93Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 WeakPolarHBondContact O-CG 3.35Å; K198-K200 PolarHBondContact O-N 3.46Å
199Y65.8Low70.6Confident32 Ų3288.4 Ų88.413%0.12547%0.467CS..  trans-6695.4166.7178-123.1000109.1V190 Y191 L201 T202V190-Y199 HydrophobicContact CG1-CE2 4.17Å; V190-Y199 WeakPolarHBondContact O-CD2 3.39Å; Y191-Y199 HydrophobicContact CD1-CE1 4.07Å; Y191-Y199 AromaticContact CD1-CE2 3.99Å; Y191-Y199 HydrophobicContact CD1-CE2 3.99Å; Y191-Y199 AromaticContact CD1-CZ 3.58Å; Y191-Y199 HydrophobicContact CE1-CE1 4.45Å; Y191-Y199 HydrophobicContact CE1-CE2 4.38Å; Y191-Y199 AromaticContact CE1-CZ 3.78Å; Y191-Y199 WeakPolarHBondContact CE1-OH 3.05Å; Y191-Y199 HydrophobicContact CG-CE2 4.34Å; Y199-L201 HydrophobicContact CD1-CB 4.43Å; Y199-L201 HydrophobicContact CE1-CB 3.78Å; Y199-L201 HydrophobicContact CE2-CB 3.87Å; Y199-L201 HydrophobicContact CE2-CD1 4.36Å; Y199-L201 VanDerWaalsContact CZ-CB 3.46Å; Y199-L201 PolarHBondContact O-N 2.74Å; Y199-L201 WeakPolarHBondContact OH-CB 3.48Å; Y199-T202 HydrophobicContact CD1-CG2 3.81Å; Y199-T202 WeakPolarHBondContact CD1-OG1 3.5Å; Y199-T202 HydrophobicContact CE1-CG2 3.62Å; Y199-T202 PolarHBondContact O-N 3.24Å; Y199-T202 PolarHBondContact O-OG1 2.99Å
200K62.1Low69.5Low141 Ų14183.5 Ų83.561%0.61345%0.447SS*.G310 helixtrans-69.9-13.6-168.6-69.7-172.3-179.8178.20114.5F77 K198 T202F77-K200 HydrophobicContact CZ-CB 4.28Å; F77-K200 HydrophobicContact CZ-CD 4.04Å; F77-K200 HydrophobicContact CZ-CG 4.29Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 WeakPolarHBondContact O-CG 3.35Å; K198-K200 PolarHBondContact O-N 3.46Å; K200-T202 PolarHBondContact O-N 3.44Å
201L62.9Low68.2Low34 Ų3483.7 Ų83.718%0.17845%0.447CS..G310 helixtrans-65.3-26.2-179.5-112.994.2000112.4R12 Y78 L109 Y199R12-L201 HydrophobicContact CG-CD2 4.12Å; R12-L201 PolarHBondContact NE-O 3.39Å; R12-L201 VanDerWaalsContact NH2-C 3.35Å; R12-L201 PolarHBondContact NH2-O 2.86Å; Y78-L201 HydrophobicContact CD1-CD1 3.49Å; Y78-L201 VanDerWaalsContact CD1-CD1 3.49Å; Y78-L201 HydrophobicContact CE1-CD1 3.38Å; L109-L201 HydrophobicContact CD1-CD1 3.93Å; L109-L201 HydrophobicContact CD1-CD2 4.18Å; L109-L201 HydrophobicContact CD2-CD1 4.44Å; L109-L201 HydrophobicContact CD2-CD2 4.2Å; Y199-L201 HydrophobicContact CD1-CB 4.43Å; Y199-L201 HydrophobicContact CE1-CB 3.78Å; Y199-L201 HydrophobicContact CE2-CB 3.87Å; Y199-L201 HydrophobicContact CE2-CD1 4.36Å; Y199-L201 VanDerWaalsContact CZ-CB 3.46Å; Y199-L201 PolarHBondContact O-N 2.74Å; Y199-L201 WeakPolarHBondContact OH-CB 3.48Å
202T59.5Low67.3Low76 Ų7690 Ų9047%0.46647%0.474SS..G310 helixtrans-103.33.9-172.647.80000115.1Y199 K200 A204Y199-T202 HydrophobicContact CD1-CG2 3.81Å; Y199-T202 WeakPolarHBondContact CD1-OG1 3.5Å; Y199-T202 HydrophobicContact CE1-CG2 3.62Å; Y199-T202 PolarHBondContact O-N 3.24Å; Y199-T202 PolarHBondContact O-OG1 2.99Å; K200-T202 PolarHBondContact O-N 3.44Å; T202-A204 VanDerWaalsContact C-N 3.27Å; T202-A204 PolarHBondContact O-N 2.9Å
203D56.4Low66.7Low99 Ų9991.2 Ų91.253%0.52948%0.483SS..  trans-78.4-3.9-170.9-73.7-24.4000114.5
204A62.9Low66.3Low70 Ų7092 Ų9258%0.57949%0.485SS*.SBendtrans-80.4138.7174.300000111.4T202T202-A204 VanDerWaalsContact C-N 3.27Å; T202-A204 PolarHBondContact O-N 2.9Å
205L62.4Low66.2Low163 Ų16393.1 Ų93.185%0.85349%0.488SS*.PPolyproline II helixtrans-54.6130170.4-75.3167.9000109.4R207L205-R207 PolarHBondContact O-N 3.24Å
206P65.1Low66.6Low79 Ų7992.9 Ų92.951%0.51347%0.471SS..PPolyproline II helixtrans-60.7138.1-179.824.9-33000109.9M4M4-P206 HydrophobicContact CE-CB 4.28Å; M4-P206 HydrophobicContact SD-CB 4.43Å
207R62.9Low67.5Low127 Ų12788 Ų8848%0.47945%0.447SS..PPolyproline II helixtrans-68.9137.5178.1-67.3-177.9-177.3-90.72.9110.7M4 L205 F209M4-R207 WeakPolarHBondContact CE-O 3.03Å; L205-R207 PolarHBondContact O-N 3.24Å; R207-F209 PolarHBondContact O-N 3.08Å
208N68.2Low68.4Low138 Ų13890.6 Ų90.674%0.73845%0.449SS*.SBendtrans-54.4-23.6-179.5-69.7-23.9000115.5
209F62.8Low69.6Low85 Ų8588.6 Ų88.637%0.37344%0.442SS..SBendtrans-127.5150.7179.2-57.4-61.5000110.3L7 R207 Q213 I214 R217L7-F209 WeakPolarHBondContact CD1-O 3.44Å; R207-F209 PolarHBondContact O-N 3.08Å; F209-Q213 HydrophobicContact CB-CB 4.46Å; F209-I214 HydrophobicContact CB-CD1 4.48Å; F209-I214 HydrophobicContact CB-CG1 3.98Å; F209-R217 VanDerWaalsContact CE1-CZ 3.44Å; F209-R217 VanDerWaalsContact CG-NH1 3.35Å
210T65Low70.7Confident12 Ų1292.6 Ų92.67%0.07446%0.462CS..  trans-84.1156.9174.975.40000111.2G3 M4 K212 Q213 I214G3-T210 VanDerWaalsContact C-CB 3.43Å; G3-T210 WeakPolarHBondContact O-CB 3.23Å; G3-T210 VanDerWaalsContact O-CG2 3.27Å; G3-T210 WeakPolarHBondContact O-CG2 3.35Å; M4-T210 HydrophobicContact CB-CG2 4.38Å; M4-T210 HydrophobicContact CG-CG2 4.42Å; T210-K212 VanDerWaalsContact C-N 3.26Å; T210-K212 PolarHBondContact O-N 3.28Å; T210-Q213 HydrophobicContact CG2-CG 4.39Å; T210-Q213 CarbonylContact O-C 3.48Å; T210-Q213 WeakPolarHBondContact O-CA 3.25Å; T210-Q213 WeakPolarHBondContact O-CB 3.34Å; T210-Q213 PolarHBondContact O-N 3.5Å; T210-Q213 VanDerWaalsContact OG1-CB 3.29Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.47Å; T210-Q213 VanDerWaalsContact OG1-CD 3.27Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.26Å; T210-Q213 PolarHBondContact OG1-N 3.11Å; T210-Q213 PolarHBondContact OG1-OE1 2.66Å; T210-I214 WeakPolarHBondContact O-CG1 2.79Å; T210-I214 PolarHBondContact O-N 2.67Å
211L62Low72Confident25 Ų2591.8 Ų91.813%0.13146%0.461CS..Hα-helixtrans-65.5-38.1-177.8-115.4156.6000110.6L7 Q10 Q213 I214 Q215L7-L211 HydrophobicContact CB-CB 4.32Å; L7-L211 HydrophobicContact CB-CD1 4.33Å; L7-L211 HydrophobicContact CB-CG 4.4Å; L7-L211 HydrophobicContact CD1-CB 4.1Å; L7-L211 HydrophobicContact CD1-CG 4.02Å; L7-L211 HydrophobicContact CD2-CB 4.23Å; L7-L211 HydrophobicContact CD2-CD1 3.43Å; L7-L211 VanDerWaalsContact CD2-CD1 3.43Å; L7-L211 HydrophobicContact CD2-CD2 4.49Å; L7-L211 HydrophobicContact CD2-CG 3.41Å; L7-L211 VanDerWaalsContact CD2-CG 3.41Å; L7-L211 HydrophobicContact CG-CB 3.52Å; L7-L211 HydrophobicContact CG-CD1 3.57Å; L7-L211 HydrophobicContact CG-CG 3.3Å; L7-L211 VanDerWaalsContact CG-N 3.27Å; Q10-L211 HydrophobicContact CB-CD1 3.26Å; Q10-L211 HydrophobicContact CG-CD1 3.9Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.06Å; L211-I214 CarbonylContact O-C 3.6Å; L211-I214 PolarHBondContact O-N 3.18Å; L211-I214 VanDerWaalsContact O-N 3.12Å; L211-Q215 HydrophobicContact CD2-CG 4.34Å; L211-Q215 WeakPolarHBondContact O-CB 3.32Å; L211-Q215 VanDerWaalsContact O-CG 3.31Å; L211-Q215 WeakPolarHBondContact O-CG 3.49Å; L211-Q215 PolarHBondContact O-N 2.69Å
212K67.2Low73.3Confident138 Ų13896.4 Ų96.460%0.648%0.476SS*.Hα-helixtrans-57.7-43.6171.5-68.7-174.2177.6-175.70111.1T210 Q215 V216T210-K212 VanDerWaalsContact C-N 3.26Å; T210-K212 PolarHBondContact O-N 3.28Å; K212-Q215 PolarHBondContact O-N 3.24Å; K212-V216 VanDerWaalsContact O-CB 3.31Å; K212-V216 WeakPolarHBondContact O-CB 3.42Å; K212-V216 WeakPolarHBondContact O-CG2 3.35Å; K212-V216 PolarHBondContact O-N 3.31Å
213Q75.8Confident74.7Confident90 Ų9096.1 Ų96.142%0.42147%0.472SS..Hα-helixtrans-64.9-39.2174.4-75.2165.3-6.100112.3F209 T210 L211 R217F209-Q213 HydrophobicContact CB-CB 4.46Å; T210-Q213 HydrophobicContact CG2-CG 4.39Å; T210-Q213 CarbonylContact O-C 3.48Å; T210-Q213 WeakPolarHBondContact O-CA 3.25Å; T210-Q213 WeakPolarHBondContact O-CB 3.34Å; T210-Q213 PolarHBondContact O-N 3.5Å; T210-Q213 VanDerWaalsContact OG1-CB 3.29Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.47Å; T210-Q213 VanDerWaalsContact OG1-CD 3.27Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.26Å; T210-Q213 PolarHBondContact OG1-N 3.11Å; T210-Q213 PolarHBondContact OG1-OE1 2.66Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.06Å; Q213-R217 WeakPolarHBondContact O-CB 3.27Å; Q213-R217 VanDerWaalsContact O-CG 3.29Å; Q213-R217 WeakPolarHBondContact O-CG 3.38Å; Q213-R217 PolarHBondContact O-N 2.84Å
214I77.1Confident76.3Confident55 Ų5598.1 Ų98.128%0.28248%0.476SS..Hα-helixtrans-65.5-47.3176.9-65.5176.2000110.5L7 F209 T210 L211 R217 Q218L7-I214 HydrophobicContact CD1-CD1 3.72Å; F209-I214 HydrophobicContact CB-CD1 4.48Å; F209-I214 HydrophobicContact CB-CG1 3.98Å; T210-I214 WeakPolarHBondContact O-CG1 2.79Å; T210-I214 PolarHBondContact O-N 2.67Å; L211-I214 CarbonylContact O-C 3.6Å; L211-I214 PolarHBondContact O-N 3.18Å; L211-I214 VanDerWaalsContact O-N 3.12Å; I214-R217 PolarHBondContact O-N 3.14Å; I214-Q218 HydrophobicContact CG2-CG 4.31Å; I214-Q218 WeakPolarHBondContact O-CB 3.44Å; I214-Q218 WeakPolarHBondContact O-CG 3.3Å; I214-Q218 PolarHBondContact O-N 2.97Å
215Q80.1Confident77.5Confident95 Ų95100.4 Ų100.444%0.44448%0.476SS..Hα-helixtrans-61-47.4178.1-74.8173.4-20.300111L211 K212 R217 Q218 E219L211-Q215 HydrophobicContact CD2-CG 4.34Å; L211-Q215 WeakPolarHBondContact O-CB 3.32Å; L211-Q215 VanDerWaalsContact O-CG 3.31Å; L211-Q215 WeakPolarHBondContact O-CG 3.49Å; L211-Q215 PolarHBondContact O-N 2.69Å; K212-Q215 PolarHBondContact O-N 3.24Å; Q215-R217 VanDerWaalsContact C-N 3.3Å; Q215-R217 PolarHBondContact O-N 3.27Å; Q215-Q218 PolarHBondContact O-N 3.34Å; Q215-E219 WeakPolarHBondContact O-CB 3.32Å; Q215-E219 PolarHBondContact O-N 3.43Å
216V84.9Confident78.5Confident71 Ų7196.3 Ų96.343%0.4346%0.455SS..Hα-helixtrans-59.7-41.8175.3169.40000110.8K212 E219 Q220K212-V216 VanDerWaalsContact O-CB 3.31Å; K212-V216 WeakPolarHBondContact O-CB 3.42Å; K212-V216 WeakPolarHBondContact O-CG2 3.35Å; K212-V216 PolarHBondContact O-N 3.31Å; V216-E219 PolarHBondContact O-N 3.24Å; V216-Q220 HydrophobicContact CG1-CG 4.43Å; V216-Q220 WeakPolarHBondContact O-CB 3.28Å; V216-Q220 WeakPolarHBondContact O-CG 3.07Å; V216-Q220 PolarHBondContact O-N 2.72Å
217R84.3Confident79.5Confident110 Ų11097.3 Ų97.342%0.41545%0.452SS..Hα-helixtrans-67.4-40.3176.1-79.8-178.9177.8169.11.9113.3F209 Q213 I214 Q215 E219 Q220 M221F209-R217 VanDerWaalsContact CE1-CZ 3.44Å; F209-R217 VanDerWaalsContact CG-NH1 3.35Å; Q213-R217 WeakPolarHBondContact O-CB 3.27Å; Q213-R217 VanDerWaalsContact O-CG 3.29Å; Q213-R217 WeakPolarHBondContact O-CG 3.38Å; Q213-R217 PolarHBondContact O-N 2.84Å; I214-R217 PolarHBondContact O-N 3.14Å; Q215-R217 VanDerWaalsContact C-N 3.3Å; Q215-R217 PolarHBondContact O-N 3.27Å; R217-E219 VanDerWaalsContact C-N 3.32Å; R217-Q220 PolarHBondContact O-N 2.9Å; R217-M221 WeakPolarHBondContact O-CB 3.25Å; R217-M221 WeakPolarHBondContact O-CG 3.34Å; R217-M221 PolarHBondContact O-N 2.64Å
218Q85.9Confident80.4Confident114 Ų11496.5 Ų96.553%0.53345%0.454SS..Hα-helixtrans-63-42.5175.5-76.7175.4-16.200110.6I214 Q215 M221 R222I214-Q218 HydrophobicContact CG2-CG 4.31Å; I214-Q218 WeakPolarHBondContact O-CB 3.44Å; I214-Q218 WeakPolarHBondContact O-CG 3.3Å; I214-Q218 PolarHBondContact O-N 2.97Å; Q215-Q218 PolarHBondContact O-N 3.34Å; Q218-M221 PolarHBondContact O-N 3.05Å; Q218-R222 WeakPolarHBondContact O-CB 3.45Å; Q218-R222 PolarHBondContact O-N 3.25Å
219E89.2Confident80.7Confident106 Ų10693.1 Ų93.150%0.49544%0.436SS..Hα-helixtrans-64.6-44.4175-176.2172.9-163.300111.8Q215 V216 R217 M221 R222 N223Q215-E219 WeakPolarHBondContact O-CB 3.32Å; Q215-E219 PolarHBondContact O-N 3.43Å; V216-E219 PolarHBondContact O-N 3.24Å; R217-E219 VanDerWaalsContact C-N 3.32Å; E219-M221 PolarHBondContact O-N 3.46Å; E219-R222 PolarHBondContact O-N 3.21Å; E219-N223 WeakPolarHBondContact O-CB 3.29Å; E219-N223 PolarHBondContact O-N 2.98Å; E219-N223 PolarHBondContact O-ND2 3.03Å
220Q88.8Confident81.4Confident117 Ų11794.2 Ų94.255%0.54744%0.44SS..Hα-helixtrans-59-44.1173.8-76171.1-11.600112V216 R217 N223 K224V216-Q220 HydrophobicContact CG1-CG 4.43Å; V216-Q220 WeakPolarHBondContact O-CB 3.28Å; V216-Q220 WeakPolarHBondContact O-CG 3.07Å; V216-Q220 PolarHBondContact O-N 2.72Å; R217-Q220 PolarHBondContact O-N 2.9Å; Q220-N223 PolarHBondContact O-N 2.88Å; Q220-K224 WeakPolarHBondContact O-CB 3.22Å; Q220-K224 PolarHBondContact O-N 3.24Å
221M88.4Confident81.9Confident124 Ų12499.2 Ų99.261%0.61146%0.463SS*.Hα-helixtrans-64.9-44.2176.2-77.1-169.4-72.500111.9R217 Q218 E219 N223 K224 M225R217-M221 WeakPolarHBondContact O-CB 3.25Å; R217-M221 WeakPolarHBondContact O-CG 3.34Å; R217-M221 PolarHBondContact O-N 2.64Å; Q218-M221 PolarHBondContact O-N 3.05Å; E219-M221 PolarHBondContact O-N 3.46Å; M221-N223 PolarHBondContact O-N 3.08Å; M221-K224 PolarHBondContact O-N 2.89Å; M221-M225 WeakPolarHBondContact O-CB 3.47Å; M221-M225 PolarHBondContact O-N 2.85Å
222R89.5Confident82.1Confident130 Ų130100.2 Ų100.249%0.49147%0.472SS..Hα-helixtrans-59.9-45.7175.9-173.5-170.467.6822111.3Q218 E219 M225 L226Q218-R222 WeakPolarHBondContact O-CB 3.45Å; Q218-R222 PolarHBondContact O-N 3.25Å; E219-R222 PolarHBondContact O-N 3.21Å; R222-M225 PolarHBondContact O-N 3.23Å; R222-L226 PolarHBondContact O-N 2.89Å
223N90.8Very high81.9Confident70 Ų7099.4 Ų99.437%0.37447%0.47SS..Hα-helixtrans-64.8-41.6178.4-69.5-13.3000111.2E219 Q220 M221 L226 E227E219-N223 WeakPolarHBondContact O-CB 3.29Å; E219-N223 PolarHBondContact O-N 2.98Å; E219-N223 PolarHBondContact O-ND2 3.03Å; Q220-N223 PolarHBondContact O-N 2.88Å; M221-N223 PolarHBondContact O-N 3.08Å; N223-L226 PolarHBondContact O-N 2.85Å; N223-E227 WeakPolarHBondContact O-CB 3.22Å; N223-E227 PolarHBondContact O-N 2.78Å
224K89.9Confident81.4Confident141 Ų141103.1 Ų103.161%0.61349%0.488SS*.Hα-helixtrans-62.9-41.6175.2-172.3178.6179.6-178.10112.3Q220 M221 E227 Q228Q220-K224 WeakPolarHBondContact O-CB 3.22Å; Q220-K224 PolarHBondContact O-N 3.24Å; M221-K224 PolarHBondContact O-N 2.89Å; K224-E227 PolarHBondContact O-N 2.78Å; K224-Q228 WeakPolarHBondContact O-CG 3.38Å; K224-Q228 PolarHBondContact O-N 3.47Å
225M86.3Confident80.6Confident118 Ų118107.2 Ų107.258%0.58151%0.505SS*.Hα-helixtrans-64.7-43175.6-173.2-178.3-176.900111.3M221 R222 E227 Q228 I229M221-M225 WeakPolarHBondContact O-CB 3.47Å; M221-M225 PolarHBondContact O-N 2.85Å; R222-M225 PolarHBondContact O-N 3.23Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 3.13Å; M225-Q228 PolarHBondContact O-N 3.19Å; M225-I229 HydrophobicContact CE-CD1 4.48Å; M225-I229 HydrophobicContact CG-CD1 4.22Å; M225-I229 WeakPolarHBondContact O-CG1 3.47Å; M225-I229 PolarHBondContact O-N 3.46Å
226L84.7Confident79.8Confident78 Ų78107.5 Ų107.541%0.40851%0.51SS..Hα-helixtrans-59.9-40174.6-120.887.6000111.9R222 N223 I229 K230R222-L226 PolarHBondContact O-N 2.89Å; N223-L226 PolarHBondContact O-N 2.85Å; L226-I229 PolarHBondContact O-N 2.73Å; L226-K230 WeakPolarHBondContact O-CG 3.35Å; L226-K230 PolarHBondContact O-N 3.43Å
227E84.9Confident78.6Confident99 Ų99108.6 Ų108.646%0.46352%0.516SS..Hα-helixtrans-66.5-40.3178.5-159.567-171.500111.7N223 K224 M225 K230 Q231N223-E227 WeakPolarHBondContact O-CB 3.22Å; N223-E227 PolarHBondContact O-N 2.78Å; K224-E227 PolarHBondContact O-N 2.78Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 3.13Å; E227-K230 PolarHBondContact O-N 3.42Å; E227-Q231 VanDerWaalsContact O-CG 3.31Å; E227-Q231 WeakPolarHBondContact O-CG 3.34Å; E227-Q231 PolarHBondContact O-N 3.24Å
228Q82.1Confident77.5Confident111 Ų111109.3 Ų109.352%0.51953%0.529SS..Hα-helixtrans-62.7-42.1173-73.3176.2-26.700111.8K224 M225 Q231 S232K224-Q228 WeakPolarHBondContact O-CG 3.38Å; K224-Q228 PolarHBondContact O-N 3.47Å; M225-Q228 PolarHBondContact O-N 3.19Å; Q228-Q231 PolarHBondContact O-N 2.89Å; Q228-S232 PolarHBondContact O-N 3.33Å; Q228-S232 PolarHBondContact O-OG 3.31Å
229I75.3Confident76.4Confident67 Ų67106.4 Ų106.434%0.34452%0.521SS..Hα-helixtrans-61.3-47.5176.3-69.5166.6000110.1M225 L226 Q231 S232 E233M225-I229 HydrophobicContact CE-CD1 4.48Å; M225-I229 HydrophobicContact CG-CD1 4.22Å; M225-I229 WeakPolarHBondContact O-CG1 3.47Å; M225-I229 PolarHBondContact O-N 3.46Å; L226-I229 PolarHBondContact O-N 2.73Å; I229-Q231 PolarHBondContact O-N 3.13Å; I229-S232 WeakPolarHBondContact CA-OG 3.16Å; I229-S232 CarbonylContact O-C 3.51Å; I229-S232 PolarHBondContact O-N 3.39Å; I229-S232 VanDerWaalsContact O-N 3.09Å; I229-S232 PolarHBondContact O-OG 3.21Å; I229-E233 HydrophobicContact CG2-CG 4.17Å; I229-E233 WeakPolarHBondContact O-CG 3.36Å; I229-E233 PolarHBondContact O-N 3.24Å
230K78Confident75Confident108 Ų108103.9 Ų103.947%0.4751%0.51SS..Hα-helixtrans-58.5-44.7176.4-75.4179.1179.51800112.7L226 E227 S232 E233 E234L226-K230 WeakPolarHBondContact O-CG 3.35Å; L226-K230 PolarHBondContact O-N 3.43Å; E227-K230 PolarHBondContact O-N 3.42Å; K230-S232 VanDerWaalsContact C-N 3.26Å; K230-S232 PolarHBondContact O-N 3.08Å; K230-E233 PolarHBondContact O-N 3.18Å; K230-E234 PolarHBondContact O-N 3.08Å
231Q74.3Confident73.6Confident116 Ų116101.9 Ų101.954%0.54251%0.506SS..Hα-helixtrans-62.8-33.3176.5-72.6173.53.700112.3E227 Q228 I229E227-Q231 VanDerWaalsContact O-CG 3.31Å; E227-Q231 WeakPolarHBondContact O-CG 3.34Å; E227-Q231 PolarHBondContact O-N 3.24Å; Q228-Q231 PolarHBondContact O-N 2.89Å; I229-Q231 PolarHBondContact O-N 3.13Å
232S67.4Low72.2Confident46 Ų4699.1 Ų99.132%0.32250%0.497SS..Hα-helixtrans-77.8-33.1173.865.70000113.5Q228 I229 K230 E234 Q235Q228-S232 PolarHBondContact O-N 3.33Å; Q228-S232 PolarHBondContact O-OG 3.31Å; I229-S232 WeakPolarHBondContact CA-OG 3.16Å; I229-S232 CarbonylContact O-C 3.51Å; I229-S232 PolarHBondContact O-N 3.39Å; I229-S232 VanDerWaalsContact O-N 3.09Å; I229-S232 PolarHBondContact O-OG 3.21Å; K230-S232 VanDerWaalsContact C-N 3.26Å; K230-S232 PolarHBondContact O-N 3.08Å; S232-E234 VanDerWaalsContact C-N 3.31Å; S232-Q235 CarbonylContact O-C 3.52Å; S232-Q235 WeakPolarHBondContact O-CA 3.26Å; S232-Q235 WeakPolarHBondContact O-CB 3.44Å; S232-Q235 PolarHBondContact O-N 3.21Å; S232-Q235 VanDerWaalsContact O-O 3.12Å
233E63.4Low70.7Confident121 Ų12199.2 Ų99.257%0.56550%0.504SS*.Hα-helixtrans-69.9-28.3175.4-75.6178.4163.500112.1I229 K230 Q235I229-E233 HydrophobicContact CG2-CG 4.17Å; I229-E233 WeakPolarHBondContact O-CG 3.36Å; I229-E233 PolarHBondContact O-N 3.24Å; K230-E233 PolarHBondContact O-N 3.18Å; E233-Q235 PolarHBondContact O-N 3.25Å
234E64.3Low69Low169 Ų169100.9 Ų100.979%0.7951%0.512SS*.THydrogen-bonded Turntrans-67-18.6168.7-75.4179.8175.200112.5K230 S232 D236K230-E234 PolarHBondContact O-N 3.08Å; S232-E234 VanDerWaalsContact C-N 3.31Å; E234-D236 PolarHBondContact O-N 3.39Å
235Q60.8Low67.3Low141 Ų141101.7 Ų101.766%0.65952%0.518SS*.SBendtrans-92.187.2169.7-66.6-174.5-20.200110S232 E233S232-Q235 CarbonylContact O-C 3.52Å; S232-Q235 WeakPolarHBondContact O-CA 3.26Å; S232-Q235 WeakPolarHBondContact O-CB 3.44Å; S232-Q235 PolarHBondContact O-N 3.21Å; S232-Q235 VanDerWaalsContact O-O 3.12Å; E233-Q235 PolarHBondContact O-N 3.25Å
236D63.2Low65.8Low100 Ų100101 Ų10154%0.53552%0.52SS..  trans25.5100.1165.8-152-8.7000116.1E234 N238 S239E234-D236 PolarHBondContact O-N 3.39Å; D236-N238 PolarHBondContact O-N 3.45Å; D236-N238 PolarHBondContact OD1-ND2 3.47Å; D236-S239 WeakPolarHBondContact O-CB 2.86Å; D236-S239 PolarHBondContact O-N 3.26Å; D236-S239 PolarHBondContact O-OG 3.24Å
237V59.3Low64.3Low94 Ų94100.5 Ų100.557%0.5752%0.518SS*.Hα-helixtrans-47.8-22.6175.4177.50000113.2S239 T241V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 3.46Å; V237-T241 PolarHBondContact O-OG1 3.45Å; V237-T241 VanDerWaalsContact O-OG1 3.13Å
238N60.7Low62.8Low126 Ų126101.8 Ų101.867%0.67454%0.535SS*.Hα-helixtrans-73.6-16.6176-62.8-52.4000114.7D236 P242D236-N238 PolarHBondContact O-N 3.45Å; D236-N238 PolarHBondContact OD1-ND2 3.47Å; N238-P242 VanDerWaalsContact O-CD 3.32Å; N238-P242 WeakPolarHBondContact O-CD 2.87Å
239S63.1Low61.4Low53 Ų53103.3 Ų103.337%0.37155%0.546SS..Hα-helixtrans-93.6-30.6-179.568.10000113.8D236 V237 P242D236-S239 WeakPolarHBondContact O-CB 2.86Å; D236-S239 PolarHBondContact O-N 3.26Å; D236-S239 PolarHBondContact O-OG 3.24Å; V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 3.46Å; S239-P242 WeakPolarHBondContact O-CD 3.39Å; S239-P242 WeakPolarHBondContact O-CG 3.13Å
240I59.3Low60.4Low53 Ų53105.2 Ų105.227%0.27256%0.556SS.*Hα-helixtrans-76.6-36-177-59174.5000111.6Q243 L244I240-Q243 PolarHBondContact O-N 2.93Å; I240-L244 HydrophobicContact CG2-CD1 3.71Å; I240-L244 HydrophobicContact CG2-CG 4.09Å; I240-L244 PolarHBondContact O-N 3.21Å
241T60.1Low59.4Low74 Ų74103.9 Ų103.945%0.45456%0.558SS.*Hα-helixtrans-59.6-47.2-178.3-49.70000113.3V237 Q245V237-T241 PolarHBondContact O-OG1 3.45Å; V237-T241 VanDerWaalsContact O-OG1 3.13Å; T241-Q245 WeakPolarHBondContact O-CG 3.11Å; T241-Q245 PolarHBondContact O-N 3.49Å
242P59Low58.8Low66 Ų66104 Ų10443%0.42957%0.573SS.*Hα-helixtrans-70.9-26.2174.323.2-30.4000114N238 S239 Q245 T246N238-P242 VanDerWaalsContact O-CD 3.32Å; N238-P242 WeakPolarHBondContact O-CD 2.87Å; S239-P242 WeakPolarHBondContact O-CD 3.39Å; S239-P242 WeakPolarHBondContact O-CG 3.13Å; P242-Q245 PolarHBondContact O-N 2.9Å; P242-T246 WeakPolarHBondContact O-CB 3.27Å; P242-T246 WeakPolarHBondContact O-CG2 3.1Å; P242-T246 PolarHBondContact O-N 3.45Å; P242-T246 PolarHBondContact O-OG1 3.21Å
243Q57.5Low58.8Low133 Ų133109.4 Ų109.462%0.62159%0.592SS**Hα-helixtrans-71.5-37.6174-75.2-178.2-6.700112.3I240 Q245 T246 D247I240-Q243 PolarHBondContact O-N 2.93Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-T246 PolarHBondContact O-N 3.44Å; Q243-T246 PolarHBondContact O-OG1 3.45Å; Q243-D247 PolarHBondContact O-N 3.12Å
244L55.2Low59.2Low105 Ų105111.8 Ų111.855%0.5560%0.596SS.*Hα-helixtrans-70.9-28173.6-72.7169.3000112.7I240 L250I240-L244 HydrophobicContact CG2-CD1 3.71Å; I240-L244 HydrophobicContact CG2-CG 4.09Å; I240-L244 PolarHBondContact O-N 3.21Å; L244-L250 WeakPolarHBondContact O-CD1 3.47Å
245Q55.5Low60.2Low158 Ų158107.4 Ų107.474%0.73858%0.584SS**Hα-helixtrans-80.8-17.4176.2-74.9179.1-11.900113.7T241 P242 Q243T241-Q245 WeakPolarHBondContact O-CG 3.11Å; T241-Q245 PolarHBondContact O-N 3.49Å; P242-Q245 PolarHBondContact O-N 2.9Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å
246T54.3Low61.4Low103 Ų103106.9 Ų106.963%0.63259%0.586SS**Hα-helixtrans-107.1-3.1-178.151.40000114P242 Q243 P248P242-T246 WeakPolarHBondContact O-CB 3.27Å; P242-T246 WeakPolarHBondContact O-CG2 3.1Å; P242-T246 PolarHBondContact O-N 3.45Å; P242-T246 PolarHBondContact O-OG1 3.21Å; Q243-T246 PolarHBondContact O-N 3.44Å; Q243-T246 PolarHBondContact O-OG1 3.45Å; T246-P248 WeakPolarHBondContact O-CD 3.36Å
247D52.2Low62.8Low68 Ų68110.1 Ų110.136%0.36460%0.595SS.*  trans-63.2106.8178.5-168.7-3.9000110.4Q243 L249 L250Q243-D247 PolarHBondContact O-N 3.12Å; D247-L249 PolarHBondContact O-N 3.04Å; D247-L249 WeakPolarHBondContact OD1-CB 3.45Å; D247-L249 WeakPolarHBondContact OD1-CG 3.36Å; D247-L249 PolarHBondContact OD1-N 3.14Å; D247-L250 HydrophobicContact CB-CD1 4.35Å; D247-L250 PolarHBondContact O-N 2.57Å; D247-L250 VanDerWaalsContact O-N 3.15Å
248P53.4Low64.2Low126 Ų126109.4 Ų109.482%0.81858%0.584SS**THydrogen-bonded Turntrans-65.6-9.7178.1-12.829.9000111.9T246T246-P248 WeakPolarHBondContact O-CD 3.36Å
249L53.8Low65.6Low143 Ų143105.5 Ų105.575%0.74957%0.567SS**THydrogen-bonded Turntrans-91.3-4.5179-54.6174.6000113.7D247 P251D247-L249 PolarHBondContact O-N 3.04Å; D247-L249 WeakPolarHBondContact OD1-CB 3.45Å; D247-L249 WeakPolarHBondContact OD1-CG 3.36Å; D247-L249 PolarHBondContact OD1-N 3.14Å; L249-P251 WeakPolarHBondContact O-CD 3.4Å
250L54.1Low67.1Low107 Ų107107.6 Ų107.656%0.5657%0.573SS**SBendtrans-61.9107.6166.5-98.9152.9000107.5L244 D247 S252L244-L250 WeakPolarHBondContact O-CD1 3.47Å; D247-L250 HydrophobicContact CB-CD1 4.35Å; D247-L250 PolarHBondContact O-N 2.57Å; D247-L250 VanDerWaalsContact O-N 3.15Å; L250-S252 PolarHBondContact O-N 2.89Å; L250-S252 VanDerWaalsContact O-N 3.09Å
251P56.9Low68.7Low79 Ų79109 Ų10951%0.51358%0.578SS.*  trans-61.1125.7-177-15.329.5000106.6L249 H253L249-P251 WeakPolarHBondContact O-CD 3.4Å; P251-H253 PolarHBondContact O-CD2 2.97Å; P251-H253 PolarHBondContact O-N 3.42Å
252S62.2Low70.2Confident120 Ų120108.7 Ų108.784%0.83957%0.573SS**  trans-63.891.3164.466.20000106.7L250 R254L250-S252 PolarHBondContact O-N 2.89Å; L250-S252 VanDerWaalsContact O-N 3.09Å; S252-R254 PolarHBondContact O-N 3.24Å; S252-R254 VanDerWaalsContact O-N 3.11Å
253H65.6Low71.8Confident159 Ų159111.2 Ų111.274%0.73658%0.582SS**PPolyproline II helixtrans-67.7116.9-178.9-75.1-76.9000106.9P251P251-H253 PolarHBondContact O-CD2 2.97Å; P251-H253 PolarHBondContact O-N 3.42Å
254R73.2Confident73.6Confident171 Ų171109.3 Ų109.365%0.64558%0.575SS**PPolyproline II helixtrans-57.2143.4163.2-73.4-177-106.2-127.7-2.9107.8S252S252-R254 PolarHBondContact O-N 3.24Å; S252-R254 VanDerWaalsContact O-N 3.11Å
255S84.8Confident75.3Confident76 Ų76107.9 Ų107.953%0.53157%0.568SS.*PPolyproline II helixtrans-56.2145.3173.363.60000110.5K257 K258 S259S255-K257 PolarHBondContact O-N 3.19Å; S255-K257 VanDerWaalsContact O-N 3.12Å; S255-K258 PolarHBondContact O-N 2.83Å; S255-K258 PolarHBondContact OG-N 3.48Å; S255-S259 PolarHBondContact O-N 3.09Å; S255-S259 PolarHBondContact O-OG 3.44Å
256D87Confident76.9Confident131 Ų131107.1 Ų107.170%0.70156%0.559SS**Hα-helixtrans-51.5-39.8178.5-68-19.8000111.6K258 S259 I260D256-K258 PolarHBondContact O-N 2.92Å; D256-S259 PolarHBondContact O-N 3.15Å; D256-I260 WeakPolarHBondContact O-CB 3.41Å; D256-I260 VanDerWaalsContact O-CG1 3.28Å; D256-I260 WeakPolarHBondContact O-CG1 3.32Å; D256-I260 PolarHBondContact O-N 2.89Å
257K91.3Very high78.7Confident167 Ų167104.8 Ų104.873%0.72655%0.55SS**Hα-helixtrans-55.1-48.6174.4-177178.5178.71800112S255 E261S255-K257 PolarHBondContact O-N 3.19Å; S255-K257 VanDerWaalsContact O-N 3.12Å; K257-E261 WeakPolarHBondContact O-CB 3.4Å; K257-E261 PolarHBondContact O-N 2.99Å
258K90Very high80.5Confident80 Ų80106.6 Ų106.635%0.34856%0.559SS.*Hα-helixtrans-70.4-36.3-179-170.354.7173-179.40111.6S255 D256 E261 L262S255-K258 PolarHBondContact O-N 2.83Å; S255-K258 PolarHBondContact OG-N 3.48Å; D256-K258 PolarHBondContact O-N 2.92Å; K258-E261 WeakPolarHBondContact CD-OE2 3.18Å; K258-E261 VanDerWaalsContact NZ-CD 3.29Å; K258-E261 IonicContact NZ-OE1 2.7Å; K258-E261 PolarHBondContact NZ-OE1 3.33Å; K258-E261 IonicContact NZ-OE2 2.77Å; K258-E261 PolarHBondContact NZ-OE2 3.27Å; K258-E261 PolarHBondContact O-N 3.09Å; K258-L262 HydrophobicContact CG-CD1 4.38Å; K258-L262 VanDerWaalsContact O-CG 3.29Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.26Å
259S89.6Confident81.9Confident43 Ų43104.8 Ų104.830%0.30154%0.542SS..Hα-helixtrans-63.1-46.5175.8-61.20000111.7S255 D256 L262 I263S255-S259 PolarHBondContact O-N 3.09Å; S255-S259 PolarHBondContact O-OG 3.44Å; D256-S259 PolarHBondContact O-N 3.15Å; S259-L262 PolarHBondContact O-N 2.68Å; S259-I263 WeakPolarHBondContact O-CG1 3.32Å; S259-I263 PolarHBondContact O-N 2.75Å
260I93.4Very high83.4Confident98 Ų9899.5 Ų99.550%0.50351%0.514SS..Hα-helixtrans-63-45176.1-67.6165.4000111D256 L262 I263 I264D256-I260 WeakPolarHBondContact O-CB 3.41Å; D256-I260 VanDerWaalsContact O-CG1 3.28Å; D256-I260 WeakPolarHBondContact O-CG1 3.32Å; D256-I260 PolarHBondContact O-N 2.89Å; I260-L262 VanDerWaalsContact C-N 3.31Å; I260-L262 PolarHBondContact O-N 3.43Å; I260-I263 PolarHBondContact O-N 3.06Å; I260-I263 VanDerWaalsContact O-N 3.17Å; I260-I264 HydrophobicContact CG2-CD1 3.78Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 WeakPolarHBondContact O-CG1 3.37Å; I260-I264 PolarHBondContact O-N 2.8Å
261E93.4Very high84.9Confident81 Ų8195.7 Ų95.738%0.37950%0.497SS..Hα-helixtrans-56.7-44.3177.1-171.4-162.513800111.6K257 K258 I264 L265K257-E261 WeakPolarHBondContact O-CB 3.4Å; K257-E261 PolarHBondContact O-N 2.99Å; K258-E261 WeakPolarHBondContact CD-OE2 3.18Å; K258-E261 VanDerWaalsContact NZ-CD 3.29Å; K258-E261 IonicContact NZ-OE1 2.7Å; K258-E261 PolarHBondContact NZ-OE1 3.33Å; K258-E261 IonicContact NZ-OE2 2.77Å; K258-E261 PolarHBondContact NZ-OE2 3.27Å; K258-E261 PolarHBondContact O-N 3.09Å; E261-I264 PolarHBondContact O-N 2.91Å; E261-L265 HydrophobicContact CG-CD1 4.22Å; E261-L265 WeakPolarHBondContact O-CB 3.48Å; E261-L265 VanDerWaalsContact O-CG 3.3Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 2.79Å
262L91.7Very high86Confident69 Ų6996.8 Ų96.836%0.36150%0.499SS..Hα-helixtrans-66.3-37.6177.4-70.6172.5000112.7K258 S259 I260 Y266K258-L262 HydrophobicContact CG-CD1 4.38Å; K258-L262 VanDerWaalsContact O-CG 3.29Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.26Å; S259-L262 PolarHBondContact O-N 2.68Å; I260-L262 VanDerWaalsContact C-N 3.31Å; I260-L262 PolarHBondContact O-N 3.43Å; L262-Y266 WeakPolarHBondContact O-CB 3.42Å; L262-Y266 PolarHBondContact O-N 3.44Å
263I93.2Very high86.7Confident119 Ų11993.1 Ų93.161%0.6147%0.467SS*.Hα-helixtrans-65.1-44.5175.3-67.7165.8000110.6S259 I260 Y266 A267S259-I263 WeakPolarHBondContact O-CG1 3.32Å; S259-I263 PolarHBondContact O-N 2.75Å; I260-I263 PolarHBondContact O-N 3.06Å; I260-I263 VanDerWaalsContact O-N 3.17Å; I263-Y266 WeakPolarHBondContact O-CB 3.39Å; I263-Y266 PolarHBondContact O-N 3.5Å; I263-A267 PolarHBondContact O-N 3.38Å
264I94.1Very high87.4Confident92 Ų9288.7 Ų88.747%0.47245%0.449SS..Hα-helixtrans-62.8-46.9177.2-67.9169.9000110.5I260 E261 Y266 A267 I268I260-I264 HydrophobicContact CG2-CD1 3.78Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 WeakPolarHBondContact O-CG1 3.37Å; I260-I264 PolarHBondContact O-N 2.8Å; E261-I264 PolarHBondContact O-N 2.91Å; I264-Y266 VanDerWaalsContact C-N 3.3Å; I264-Y266 PolarHBondContact O-N 3.38Å; I264-A267 PolarHBondContact O-N 2.87Å; I264-I268 HydrophobicContact CG2-CD1 3.7Å; I264-I268 HydrophobicContact CG2-CG1 4.32Å; I264-I268 WeakPolarHBondContact O-CG1 3.28Å; I264-I268 PolarHBondContact O-N 3.28Å
265L91.6Very high87.6Confident75 Ų7583.3 Ų83.339%0.39343%0.433SS..Hα-helixtrans-60-40.9176.4-75.6169.3000111.8E261 N269E261-L265 HydrophobicContact CG-CD1 4.22Å; E261-L265 WeakPolarHBondContact O-CB 3.48Å; E261-L265 VanDerWaalsContact O-CG 3.3Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 2.79Å; L265-N269 WeakPolarHBondContact O-CB 3.47Å; L265-N269 PolarHBondContact O-N 3.38Å; L265-N269 PolarHBondContact O-ND2 3.46Å; L265-N269 VanDerWaalsContact O-ND2 3.15Å
266Y89.8Confident87.5Confident142 Ų14286.9 Ų86.956%0.55745%0.445SS*.Hα-helixtrans-59.7-50.8173.1-176.6-89.5000110.7L262 I263 I264 I268 N269 H270L262-Y266 WeakPolarHBondContact O-CB 3.42Å; L262-Y266 PolarHBondContact O-N 3.44Å; I263-Y266 WeakPolarHBondContact O-CB 3.39Å; I263-Y266 PolarHBondContact O-N 3.5Å; I264-Y266 VanDerWaalsContact C-N 3.3Å; I264-Y266 PolarHBondContact O-N 3.38Å; Y266-I268 PolarHBondContact O-N 2.92Å; Y266-N269 PolarHBondContact O-N 3.37Å; Y266-H270 AromaticContact CD1-ND1 3.93Å; Y266-H270 AromaticContact CD2-CE1 3.41Å; Y266-H270 VanDerWaalsContact CD2-CE1 3.41Å; Y266-H270 WeakPolarHBondContact CD2-CE1 3.36Å; Y266-H270 AromaticContact CD2-ND1 3.72Å; Y266-H270 AromaticContact CE1-ND1 3.91Å; Y266-H270 AromaticContact CE2-CE1 3.18Å; Y266-H270 WeakPolarHBondContact CE2-CE1 3.07Å; Y266-H270 AromaticContact CE2-ND1 3.7Å; Y266-H270 AromaticContact CE2-NE2 3.62Å; Y266-H270 AromaticContact CG-ND1 3.83Å; Y266-H270 AromaticContact CZ-CE1 3.61Å; Y266-H270 AromaticContact CZ-ND1 3.79Å; Y266-H270 AromaticContact CZ-NE2 3.77Å; Y266-H270 PolarHBondContact O-N 3.02Å; Y266-H270 VanDerWaalsContact O-N 3.09Å; Y266-H270 PolarHBondContact O-ND1 3.25Å
267A91.5Very high87.4Confident55 Ų5586 Ų8646%0.45544%0.439SS..Hα-helixtrans-58.5-47.5179.400000112.4I263 I264 N269 H270 A271I263-A267 PolarHBondContact O-N 3.38Å; I264-A267 PolarHBondContact O-N 2.87Å; A267-N269 PolarHBondContact O-N 3.1Å; A267-H270 CarbonylContact O-C 3.53Å; A267-H270 PolarHBondContact O-N 2.97Å; A267-H270 VanDerWaalsContact O-N 3.15Å; A267-A271 WeakPolarHBondContact O-CB 3.4Å; A267-A271 PolarHBondContact O-N 2.95Å
268I89.1Confident86.5Confident106 Ų10680.6 Ų80.654%0.54442%0.418SS..Hα-helixtrans-60.1-45.5178.4-67.7169.3000111.1I264 Y266 H270 A271I264-I268 HydrophobicContact CG2-CD1 3.7Å; I264-I268 HydrophobicContact CG2-CG1 4.32Å; I264-I268 WeakPolarHBondContact O-CG1 3.28Å; I264-I268 PolarHBondContact O-N 3.28Å; Y266-I268 PolarHBondContact O-N 2.92Å; I268-H270 PolarHBondContact O-N 2.91Å; I268-A271 PolarHBondContact O-N 3.21Å
269N84.3Confident85.1Confident87 Ų8778 Ų7847%0.46541%0.414SS..Hα-helixtrans-66.3-22.6-180-73.9-26.8000113.1L265 Y266 A267 Y273L265-N269 WeakPolarHBondContact O-CB 3.47Å; L265-N269 PolarHBondContact O-N 3.38Å; L265-N269 PolarHBondContact O-ND2 3.46Å; L265-N269 VanDerWaalsContact O-ND2 3.15Å; Y266-N269 PolarHBondContact O-N 3.37Å; A267-N269 PolarHBondContact O-N 3.1Å; N269-Y273 VanDerWaalsContact O-CE2 3.26Å; N269-Y273 WeakPolarHBondContact O-CE2 3.36Å
270H84.9Confident83.5Confident33 Ų3384.2 Ų84.215%0.15344%0.444CS..Hα-helixtrans-104.7-14.5-178.3-64.978.4000114.1Y266 A267 I268 N272 Y273 D274 H329Y266-H270 AromaticContact CD1-ND1 3.93Å; Y266-H270 AromaticContact CD2-CE1 3.41Å; Y266-H270 VanDerWaalsContact CD2-CE1 3.41Å; Y266-H270 WeakPolarHBondContact CD2-CE1 3.36Å; Y266-H270 AromaticContact CD2-ND1 3.72Å; Y266-H270 AromaticContact CE1-ND1 3.91Å; Y266-H270 AromaticContact CE2-CE1 3.18Å; Y266-H270 WeakPolarHBondContact CE2-CE1 3.07Å; Y266-H270 AromaticContact CE2-ND1 3.7Å; Y266-H270 AromaticContact CE2-NE2 3.62Å; Y266-H270 AromaticContact CG-ND1 3.83Å; Y266-H270 AromaticContact CZ-CE1 3.61Å; Y266-H270 AromaticContact CZ-ND1 3.79Å; Y266-H270 AromaticContact CZ-NE2 3.77Å; Y266-H270 PolarHBondContact O-N 3.02Å; Y266-H270 VanDerWaalsContact O-N 3.09Å; Y266-H270 PolarHBondContact O-ND1 3.25Å; A267-H270 CarbonylContact O-C 3.53Å; A267-H270 PolarHBondContact O-N 2.97Å; A267-H270 VanDerWaalsContact O-N 3.15Å; I268-H270 PolarHBondContact O-N 2.91Å; H270-N272 VanDerWaalsContact C-N 3.25Å; H270-N272 PolarHBondContact O-N 3.34Å; H270-Y273 PolarHBondContact O-N 2.9Å; H270-D274 PolarHBondContact O-N 2.82Å; H270-H329 AromaticContact CD2-NE2 3.57Å; H270-H329 AromaticContact CE1-NE2 3.96Å; H270-H329 AromaticContact NE2-CD2 3.8Å; H270-H329 AromaticContact NE2-CE1 3.66Å; H270-H329 AromaticContact NE2-NE2 2.82Å; H270-H329 PolarHBondContact NE2-NE2 2.99Å
271A85.9Confident81.7Confident26 Ų2683.8 Ų83.822%0.21545%0.45CS..Hα-helixtrans-56.7-39.4-175.600000112.2A267 I268 Y273 D274 N278A267-A271 WeakPolarHBondContact O-CB 3.4Å; A267-A271 PolarHBondContact O-N 2.95Å; I268-A271 PolarHBondContact O-N 3.21Å; A271-Y273 PolarHBondContact O-N 3.41Å; A271-D274 PolarHBondContact O-N 3.15Å; A271-N278 VanDerWaalsContact C-ND2 3.26Å; A271-N278 PolarHBondContact O-ND2 3.17Å
272N79.7Confident79.9Confident102 Ų10281.9 Ų81.955%0.54544%0.441SS..THydrogen-bonded Turntrans-67.9-12.2179-69.2-26.4000114.3H270 N278H270-N272 VanDerWaalsContact C-N 3.25Å; H270-N272 PolarHBondContact O-N 3.34Å; N272-N278 WeakPolarHBondContact CA-ND2 3.48Å; N272-N278 PolarHBondContact OD1-ND2 2.9Å
273Y76.5Confident78.5Confident44 Ų4486.2 Ų86.217%0.17346%0.457CS..THydrogen-bonded Turntrans-110.9-2.4178-47.1-67.8000112.7N269 H270 A271 M282 K318 R321 L322 T325N269-Y273 VanDerWaalsContact O-CE2 3.26Å; N269-Y273 WeakPolarHBondContact O-CE2 3.36Å; H270-Y273 PolarHBondContact O-N 2.9Å; A271-Y273 PolarHBondContact O-N 3.41Å; Y273-M282 HydrophobicContact CD1-CE 4.32Å; Y273-K318 HydrophobicContact CD1-CG 4.01Å; Y273-R321 HydrophobicContact CE1-CB 4.04Å; Y273-R321 WeakPolarHBondContact OH-CB 3.44Å; Y273-L322 HydrophobicContact CD1-CD2 4.3Å; Y273-L322 HydrophobicContact CD1-CG 4.16Å; Y273-L322 HydrophobicContact CD2-CD2 3.44Å; Y273-L322 VanDerWaalsContact CD2-CD2 3.44Å; Y273-L322 HydrophobicContact CD2-CG 4.16Å; Y273-L322 HydrophobicContact CE1-CG 4.32Å; Y273-L322 HydrophobicContact CE2-CD2 3.8Å; Y273-L322 HydrophobicContact CE2-CG 4.35Å; Y273-L322 HydrophobicContact CG-CD2 3.73Å; Y273-L322 HydrophobicContact CG-CG 4.08Å; Y273-T325 HydrophobicContact CE2-CG2 4.35Å
274D81.1Confident77.4Confident65 Ų6581.5 Ų81.535%0.34843%0.433SS..  trans-84.7111.8175.2-169.1-34.5000109.8H270 A271 L276 I277 N278H270-D274 PolarHBondContact O-N 2.82Å; A271-D274 PolarHBondContact O-N 3.15Å; D274-L276 PolarHBondContact O-N 3.29Å; D274-L276 WeakPolarHBondContact OD1-CB 3.09Å; D274-L276 PolarHBondContact OD1-N 3.02Å; D274-I277 HydrophobicContact CB-CB 4.29Å; D274-I277 HydrophobicContact CB-CD1 4.23Å; D274-I277 HydrophobicContact CB-CG1 4.27Å; D274-I277 PolarHBondContact O-N 2.72Å; D274-N278 PolarHBondContact O-N 3.15Å
275N77.4Confident76.3Confident58 Ų5878.7 Ų78.731%0.3142%0.419SS..THydrogen-bonded Turntrans-68-15.3-178.2-71.2-17.4000113.6G279 N284N275-G279 VanDerWaalsContact O-CA 3.29Å; N275-G279 WeakPolarHBondContact O-CA 3.27Å; N275-G279 PolarHBondContact O-N 3.41Å; N275-N284 PolarHBondContact O-ND2 3.4Å
276L82.9Confident75.6Confident151 Ų15184.6 Ų84.679%0.79144%0.436SS*.THydrogen-bonded Turntrans-83.1-31.8174.3-64175.1000111.9D274D274-L276 PolarHBondContact O-N 3.29Å; D274-L276 WeakPolarHBondContact OD1-CB 3.09Å; D274-L276 PolarHBondContact OD1-N 3.02Å
277I83.1Confident74.9Confident112 Ų11285.9 Ų85.957%0.57445%0.445SS*.THydrogen-bonded Turntrans-88.5-47.1179.7-59.7176.9000110.8D274D274-I277 HydrophobicContact CB-CB 4.29Å; D274-I277 HydrophobicContact CB-CD1 4.23Å; D274-I277 HydrophobicContact CB-CG1 4.27Å; D274-I277 PolarHBondContact O-N 2.72Å
278N73.3Confident73.8Confident55 Ų5585 Ų8529%0.29444%0.436SS..SBendtrans-117.138-172.2-79.1-47.8000112.7A271 N272 D274 N280 S281A271-N278 VanDerWaalsContact C-ND2 3.26Å; A271-N278 PolarHBondContact O-ND2 3.17Å; N272-N278 WeakPolarHBondContact CA-ND2 3.48Å; N272-N278 PolarHBondContact OD1-ND2 2.9Å; D274-N278 PolarHBondContact O-N 3.15Å; N278-N280 PolarHBondContact O-N 2.91Å; N278-S281 WeakPolarHBondContact O-CB 3.29Å; N278-S281 PolarHBondContact O-N 3.3Å
279G60.6Low72.9Confident25 Ų2585.3 Ų85.326%0.25845%0.447SS..THydrogen-bonded Turntrans-55.7-7-178.300000116.3N275 M282N275-G279 VanDerWaalsContact O-CA 3.29Å; N275-G279 WeakPolarHBondContact O-CA 3.27Å; N275-G279 PolarHBondContact O-N 3.41Å; G279-M282 CarbonylContact C-O 3.46Å
280N55.9Low72.1Confident174 Ų17486.1 Ų86.193%0.9345%0.452SS*.THydrogen-bonded Turntrans-83.7-24.4171.9-69.4-11.6000113.6N278 M282N278-N280 PolarHBondContact O-N 2.91Å; N280-M282 VanDerWaalsContact C-N 3.32Å
281S55Low71.2Confident88 Ų8894.5 Ų94.562%0.61549%0.488SS*.THydrogen-bonded Turntrans-76.2-25179.2-172.30000111.8N278N278-S281 WeakPolarHBondContact O-CB 3.29Å; N278-S281 PolarHBondContact O-N 3.3Å
282M55.9Low70.1Confident41 Ų4197.5 Ų97.520%0.20250%0.5CS..THydrogen-bonded Turntrans-138.2116.9-179.2-64.3176.1-173.700107.2Y273 G279 N280 N284 K318Y273-M282 HydrophobicContact CD1-CE 4.32Å; G279-M282 CarbonylContact C-O 3.46Å; N280-M282 VanDerWaalsContact C-N 3.32Å; M282-N284 PolarHBondContact O-N 2.93Å; M282-K318 HydrophobicContact CE-CB 3.72Å; M282-K318 HydrophobicContact CE-CD 3.48Å; M282-K318 VanDerWaalsContact CE-CD 3.48Å; M282-K318 HydrophobicContact CE-CG 3.57Å; M282-K318 HydrophobicContact SD-CD 3.57Å; M282-K318 VanDerWaalsContact SD-CD 3.57Å; M282-K318 VanDerWaalsContact SD-CE 3.56Å; M282-K318 HydrophobicContact SD-CG 4.34Å; M282-K318 PolarHBondContact SD-NZ 3.04Å
283K62.5Low69.5Low161 Ų16195.9 Ų95.970%0.750%0.501SS*.THydrogen-bonded Turntrans-50107.3176.9-71.6-178.9179179.20108.8N285K283-N285 PolarHBondContact O-N 2.93Å; K283-N285 VanDerWaalsContact O-N 3.17Å; K283-N285 PolarHBondContact O-OD1 3.37Å
284N70.6Confident68.6Low20 Ų2096.1 Ų96.111%0.10751%0.509CS..  trans-78.4107-179.2-177.7-19.2000108.3N275 M282 W286 F287 S288N275-N284 PolarHBondContact O-ND2 3.4Å; M282-N284 PolarHBondContact O-N 2.93Å; N284-W286 PolarHBondContact O-N 2.72Å; N284-W286 WeakPolarHBondContact OD1-CB 3.47Å; N284-W286 PolarHBondContact OD1-N 3.28Å; N284-F287 HydrophobicContact CB-CD2 3.9Å; N284-F287 WeakPolarHBondContact ND2-CE2 3.36Å; N284-F287 PolarHBondContact O-N 2.83Å; N284-S288 PolarHBondContact O-N 3.01Å
285N71.6Confident67.5Low33 Ų3395 Ų9518%0.17650%0.503CS..THydrogen-bonded Turntrans-58.4-21.3-173.5-65.1-19.8000113.8K283 F287 S288 L295 W296K283-N285 PolarHBondContact O-N 2.93Å; K283-N285 VanDerWaalsContact O-N 3.17Å; K283-N285 PolarHBondContact O-OD1 3.37Å; N285-F287 PolarHBondContact O-N 3.35Å; N285-S288 PolarHBondContact O-N 3.45Å; N285-L295 PolarHBondContact ND2-O 3.12Å; N285-L295 WeakPolarHBondContact OD1-CB 3.31Å; N285-W296 HydrophobicContact CB-CD2 4.35Å; N285-W296 HydrophobicContact CB-CZ2 4.05Å; N285-W296 WeakPolarHBondContact ND2-CA 3.31Å; N285-W296 VanDerWaalsContact ND2-CD1 3.29Å; N285-W296 PolarHBondContact ND2-N 2.91Å; N285-W296 VanDerWaalsContact ND2-N 3.11Å
286W77Confident66.8Low198 Ų19898.5 Ų98.575%0.7551%0.512SS*.THydrogen-bonded Turntrans-66.3-24.2172.9-62.4113.4000113.7N284 W296N284-W286 PolarHBondContact O-N 2.72Å; N284-W286 WeakPolarHBondContact OD1-CB 3.47Å; N284-W286 PolarHBondContact OD1-N 3.28Å; W286-W296 HydrophobicContact CD2-CH2 4.28Å; W286-W296 HydrophobicContact CD2-CZ2 4.12Å; W286-W296 AromaticContact CE2-CH2 3.43Å; W286-W296 VanDerWaalsContact CE2-CH2 3.43Å; W286-W296 AromaticContact CE2-CZ2 3.69Å; W286-W296 HydrophobicContact CH2-CH2 4.33Å; W286-W296 HydrophobicContact CH2-CZ2 4.29Å; W286-W296 AromaticContact CZ2-CH2 3.47Å; W286-W296 HydrophobicContact CZ2-CH2 3.47Å; W286-W296 VanDerWaalsContact CZ2-CH2 3.47Å; W286-W296 AromaticContact CZ2-CZ2 3.8Å; W286-W296 HydrophobicContact CZ2-CZ2 3.8Å; W286-W296 AromaticContact NE1-CH2 3.41Å; W286-W296 AromaticContact NE1-CZ2 3.96Å
287F73.5Confident65.5Low169 Ų16997 Ų9774%0.74150%0.501SS*.THydrogen-bonded Turntrans-108.2-2.3179-57.7-74000113.1N284 N285 S289N284-F287 HydrophobicContact CB-CD2 3.9Å; N284-F287 WeakPolarHBondContact ND2-CE2 3.36Å; N284-F287 PolarHBondContact O-N 2.83Å; N285-F287 PolarHBondContact O-N 3.35Å; F287-S289 PolarHBondContact O-N 3.02Å
288S68.3Low64Low37 Ų3795.8 Ų95.826%0.25950%0.495SS..  trans-65131.3174.7-177.40000109.8N284 N285 D290N284-S288 PolarHBondContact O-N 3.01Å; N285-S288 PolarHBondContact O-N 3.45Å; S288-D290 WeakPolarHBondContact CB-O 3.38Å; S288-D290 PolarHBondContact O-N 3.32Å; S288-D290 PolarHBondContact OG-N 3.13Å; S288-D290 PolarHBondContact OG-O 3.3Å
289S70.4Confident63.1Low113 Ų11396.7 Ų96.779%0.7950%0.5SS*.SBendtrans-63.1-32.6171.152.70000111.4F287 K291F287-S289 PolarHBondContact O-N 3.02Å; S289-K291 PolarHBondContact O-N 3.42Å
290D68.7Low62.5Low104 Ų104101.4 Ų101.456%0.55652%0.52SS*.SBendtrans-85.2112.8177.2-62.4-23000108.3S288 D292S288-D290 WeakPolarHBondContact CB-O 3.38Å; S288-D290 PolarHBondContact O-N 3.32Å; S288-D290 PolarHBondContact OG-N 3.13Å; S288-D290 PolarHBondContact OG-O 3.3Å; D290-D292 PolarHBondContact O-N 3.08Å
291K65.6Low62.2Low209 Ų20997.7 Ų97.791%0.90950%0.498SS*.  trans-74.334.5174.7-63.3-176.1178.7179.40112.2S289 A293S289-K291 PolarHBondContact O-N 3.42Å; K291-A293 PolarHBondContact O-N 3.11Å
292D63.7Low61.9Low89 Ų8997.1 Ų97.148%0.47649%0.489SS..  trans-78110.7179.2-163.5-13.4000109.1D290 S294 L295D290-D292 PolarHBondContact O-N 3.08Å; D292-S294 PolarHBondContact O-N 3.37Å; D292-S294 VanDerWaalsContact OD1-CB 3.25Å; D292-S294 WeakPolarHBondContact OD1-CB 3.4Å; D292-S294 PolarHBondContact OD1-N 2.85Å; D292-S294 PolarHBondContact OD1-OG 3.23Å; D292-S294 PolarHBondContact OD2-OG 3.19Å; D292-L295 HydrophobicContact CB-CD1 4.4Å; D292-L295 PolarHBondContact O-N 3.5Å
293A65.5Low61.4Low68 Ų6896.9 Ų96.956%0.56249%0.49SS*.G310 helixtrans-65.6-20.3177.800000111.9K291 L295 W296K291-A293 PolarHBondContact O-N 3.11Å; A293-L295 PolarHBondContact O-N 2.76Å; A293-W296 WeakPolarHBondContact O-CB 3.17Å; A293-W296 PolarHBondContact O-N 3.15Å; A293-W296 VanDerWaalsContact O-N 3.08Å
294S59.1Low60.7Low49 Ų4993.7 Ų93.734%0.34349%0.488SS..G310 helixtrans-61-26.3178.271.90000112.7D292 W296 E297D292-S294 PolarHBondContact O-N 3.37Å; D292-S294 VanDerWaalsContact OD1-CB 3.25Å; D292-S294 WeakPolarHBondContact OD1-CB 3.4Å; D292-S294 PolarHBondContact OD1-N 2.85Å; D292-S294 PolarHBondContact OD1-OG 3.23Å; D292-S294 PolarHBondContact OD2-OG 3.19Å; S294-W296 PolarHBondContact O-N 3.28Å; S294-E297 WeakPolarHBondContact O-CA 3.15Å; S294-E297 WeakPolarHBondContact O-CB 3.38Å; S294-E297 PolarHBondContact O-N 2.87Å
295L56.5Low59.6Low40 Ų40101.6 Ų101.621%0.20953%0.525CS..G310 helixtrans-68.8-17.4177.3-69.4166.2000113.2N285 D292 A293N285-L295 PolarHBondContact ND2-O 3.12Å; N285-L295 WeakPolarHBondContact OD1-CB 3.31Å; D292-L295 HydrophobicContact CB-CD1 4.4Å; D292-L295 PolarHBondContact O-N 3.5Å; A293-L295 PolarHBondContact O-N 2.76Å
296W64Low58.5Low133 Ų133103.3 Ų103.350%0.50454%0.536SS..G310 helixtrans-72.6-22.7170-67.879000111.2N285 W286 A293 S294 D298N285-W296 HydrophobicContact CB-CD2 4.35Å; N285-W296 HydrophobicContact CB-CZ2 4.05Å; N285-W296 WeakPolarHBondContact ND2-CA 3.31Å; N285-W296 VanDerWaalsContact ND2-CD1 3.29Å; N285-W296 PolarHBondContact ND2-N 2.91Å; N285-W296 VanDerWaalsContact ND2-N 3.11Å; W286-W296 HydrophobicContact CD2-CH2 4.28Å; W286-W296 HydrophobicContact CD2-CZ2 4.12Å; W286-W296 AromaticContact CE2-CH2 3.43Å; W286-W296 VanDerWaalsContact CE2-CH2 3.43Å; W286-W296 AromaticContact CE2-CZ2 3.69Å; W286-W296 HydrophobicContact CH2-CH2 4.33Å; W286-W296 HydrophobicContact CH2-CZ2 4.29Å; W286-W296 AromaticContact CZ2-CH2 3.47Å; W286-W296 HydrophobicContact CZ2-CH2 3.47Å; W286-W296 VanDerWaalsContact CZ2-CH2 3.47Å; W286-W296 AromaticContact CZ2-CZ2 3.8Å; W286-W296 HydrophobicContact CZ2-CZ2 3.8Å; W286-W296 AromaticContact NE1-CH2 3.41Å; W286-W296 AromaticContact NE1-CZ2 3.96Å; A293-W296 WeakPolarHBondContact O-CB 3.17Å; A293-W296 PolarHBondContact O-N 3.15Å; A293-W296 VanDerWaalsContact O-N 3.08Å; S294-W296 PolarHBondContact O-N 3.28Å; W296-D298 VanDerWaalsContact C-N 3.33Å
297E54.3Low57.2Low119 Ų11998.3 Ų98.356%0.55655%0.547SS*.G310 helixtrans-79.7-14.1179.1-50.1-177.216200112S294 D299 N300 I301S294-E297 WeakPolarHBondContact O-CA 3.15Å; S294-E297 WeakPolarHBondContact O-CB 3.38Å; S294-E297 PolarHBondContact O-N 2.87Å; E297-D299 PolarHBondContact O-N 3.23Å; E297-D299 VanDerWaalsContact O-N 3.13Å; E297-N300 CarbonylContact O-C 3.4Å; E297-N300 VanDerWaalsContact O-CA 3.28Å; E297-N300 WeakPolarHBondContact O-CA 3.39Å; E297-N300 VanDerWaalsContact O-CB 3.3Å; E297-N300 WeakPolarHBondContact O-CB 3.44Å; E297-N300 PolarHBondContact O-N 3.3Å; E297-I301 WeakPolarHBondContact O-CG1 3.39Å; E297-I301 PolarHBondContact O-N 2.99Å
298D52.9Low56.2Low86 Ų8694.7 Ų94.746%0.4654%0.538SS..G310 helixtrans-57.7-25.9176.5-87.1-13.2000113W296 N300 I301 T316W296-D298 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact O-N 3.35Å; D298-I301 WeakPolarHBondContact OD1-CD1 3.27Å; D298-T316 WeakPolarHBondContact O-CG2 3.35Å
299D53.9Low56Low75 Ų7599.7 Ų99.740%0.40157%0.568SS.*G310 helixtrans-68.9-10.8171.3-87.8-13.7000112.5E297 T316 K318 Q319E297-D299 PolarHBondContact O-N 3.23Å; E297-D299 VanDerWaalsContact O-N 3.13Å; D299-T316 WeakPolarHBondContact O-CG2 3.29Å; D299-K318 IonicContact OD2-NZ 2.8Å; D299-K318 PolarHBondContact OD2-NZ 3.49Å; D299-Q319 PolarHBondContact O-OE1 3.3Å
300N47.6Very low56.1Low124 Ų12495.8 Ų95.866%0.66355%0.545SS*.G310 helixtrans-118.5-0.2-178.1-66-41.2000114.9E297 D298 D302E297-N300 CarbonylContact O-C 3.4Å; E297-N300 VanDerWaalsContact O-CA 3.28Å; E297-N300 WeakPolarHBondContact O-CA 3.39Å; E297-N300 VanDerWaalsContact O-CB 3.3Å; E297-N300 WeakPolarHBondContact O-CB 3.44Å; E297-N300 PolarHBondContact O-N 3.3Å; D298-N300 PolarHBondContact O-N 3.35Å; N300-D302 PolarHBondContact O-N 2.68Å
301I50.1Low56.7Low95 Ų9593.2 Ų93.249%0.48753%0.534SS..  trans-82.1115.1-172.8-56.8-176.2000112.4E297 D298E297-I301 WeakPolarHBondContact O-CG1 3.39Å; E297-I301 PolarHBondContact O-N 2.99Å; D298-I301 WeakPolarHBondContact OD1-CD1 3.27Å
302D48.5Very low57.5Low77 Ų7784 Ų8441%0.41250%0.497SS..  trans-38.8123.2171-105.8-42.8000115.2N300 S304 P313 Y314N300-D302 PolarHBondContact O-N 2.68Å; D302-S304 PolarHBondContact O-N 3.37Å; D302-P313 WeakPolarHBondContact OD1-CA 3.33Å; D302-P313 WeakPolarHBondContact OD1-CB 3.34Å; D302-Y314 PolarHBondContact OD1-N 2.91Å
303C45.2Very low58.3Low35 Ų3582.6 Ų82.624%0.23649%0.492CS..  trans-74.169.8156.2-58.40000110Q305 Y314C303-Q305 PolarHBondContact O-N 3.19Å; C303-Q305 VanDerWaalsContact O-N 3.08Å; C303-Y314 VanDerWaalsContact CB-CB 3.45Å; C303-Y314 HydrophobicContact CB-CG 4Å; C303-Y314 VanDerWaalsContact O-CD2 3.25Å; C303-Y314 WeakPolarHBondContact O-CD2 3.26Å
304S48.3Very low59Low94 Ų9480.5 Ų80.566%0.65747%0.47SS*.THydrogen-bonded Turntrans-82.949.9178.253.60000112.7D302D302-S304 PolarHBondContact O-N 3.37Å
305Q47.8Very low60.2Low186 Ų18678.3 Ų78.387%0.86946%0.455SS*.THydrogen-bonded Turntrans-141.817.6176-71-163.311.200117.4C303C303-Q305 PolarHBondContact O-N 3.19Å; C303-Q305 VanDerWaalsContact O-N 3.08Å
306T48.2Very low61.4Low69 Ų6977.4 Ų77.442%0.42345%0.451SS..SBendtrans-126.2116.9166.5600000108.9V308T306-V308 PolarHBondContact O-N 3.3Å
307G49.2Very low62.3Low94 Ų9472.3 Ų72.397%0.96943%0.434SS*.SBendtrans-6351-172.200000116.4
308V52.6Low63.7Low92 Ų9268.4 Ų68.456%0.55842%0.415SS*.  trans-121.9113.6175.1179.40000106.4T306 G310 Y314T306-V308 PolarHBondContact O-N 3.3Å; V308-G310 PolarHBondContact O-N 3.44Å; V308-Y314 WeakPolarHBondContact CB-OH 3.37Å; V308-Y314 PolarHBondContact O-OH 3.45Å
309T64.3Low65.3Low143 Ų14365.7 Ų65.788%0.87740%0.399SS*.  trans-72.9110.7178.350.50000109.9
310G71.2Confident67Low31 Ų3162.1 Ų62.132%0.3238%0.38SS..  trans-92169.6169.600000112.3V308 A312V308-G310 PolarHBondContact O-N 3.44Å; G310-A312 PolarHBondContact O-N 3.1Å
311P82.3Confident69Low50 Ų5061.2 Ų61.233%0.32537%0.367SS..SBendtrans-70.1-10.9175.932.2-37.7000113.5W339 H342P311-W339 HydrophobicContact CG-CD2 3.77Å; P311-W339 HydrophobicContact CG-CE3 3.82Å; P311-W339 HydrophobicContact CG-CG 4.22Å; P311-W339 HydrophobicContact CG-CZ2 4.47Å; P311-W339 HydrophobicContact CG-CZ3 4.24Å; P311-H342 HydrophobicContact CB-CB 3.83Å; P311-H342 HydrophobicContact CG-CB 3.68Å
312A81.4Confident70.8Confident15 Ų1558 Ų5812%0.12435%0.351CS..SBendtrans-157.6167.7-172.800000110.6G310 N335 K338G310-A312 PolarHBondContact O-N 3.1Å; A312-N335 WeakPolarHBondContact CB-OD1 3.14Å; A312-K338 HydrophobicContact CB-CB 3.72Å; A312-K338 HydrophobicContact CB-CD 3.57Å; A312-K338 HydrophobicContact CB-CG 4.27Å
313P80.7Confident73Confident59 Ų5954.4 Ų54.438%0.38333%0.332SS..  trans-43.5146.3167.3-35.841.4000113.1D302 P315 N335D302-P313 WeakPolarHBondContact OD1-CA 3.33Å; D302-P313 WeakPolarHBondContact OD1-CB 3.34Å; P313-P315 WeakPolarHBondContact O-CD 3.38Å; P313-N335 PolarHBondContact O-ND2 3.43Å; P313-N335 PolarHBondContact O-OD1 3.18Å; P313-N335 VanDerWaalsContact O-OD1 3.06Å
314Y81.1Confident75.2Confident24 Ų2454 Ų549%0.09433%0.334CS..PPolyproline II helixtrans-70.2125.9176-84.9-89.2000110D302 C303 V308 L440D302-Y314 PolarHBondContact OD1-N 2.91Å; C303-Y314 VanDerWaalsContact CB-CB 3.45Å; C303-Y314 HydrophobicContact CB-CG 4Å; C303-Y314 VanDerWaalsContact O-CD2 3.25Å; C303-Y314 WeakPolarHBondContact O-CD2 3.26Å; V308-Y314 WeakPolarHBondContact CB-OH 3.37Å; V308-Y314 PolarHBondContact O-OH 3.45Å; Y314-L440 HydrophobicContact CD1-CD2 3.71Å; Y314-L440 HydrophobicContact CE1-CD2 3.83Å
315P84.9Confident77.2Confident3 Ų352 Ų522%0.01932%0.317CS..PPolyproline II helixtrans-70154.1-177.728.8-37.1000113.1P313 Q319 V320 W323 L440P313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-Q319 HydrophobicContact CB-CB 3.94Å; P315-V320 HydrophobicContact CB-CG2 3.64Å; P315-V320 HydrophobicContact CG-CG2 3.22Å; P315-W323 HydrophobicContact CB-CH2 3.44Å; P315-W323 VanDerWaalsContact CB-CH2 3.44Å; P315-W323 HydrophobicContact CB-CZ2 3.77Å; P315-W323 HydrophobicContact CB-CZ3 4.11Å; P315-W323 HydrophobicContact CG-CH2 3.6Å; P315-W323 HydrophobicContact CG-CZ2 4.4Å; P315-W323 HydrophobicContact CG-CZ3 3.84Å; P315-L440 HydrophobicContact CG-CD2 4.19Å
316T81.3Confident79.2Confident22 Ų2244.9 Ų44.914%0.13529%0.288CS..PPolyproline II helixtrans-68.8161.2171.568.30000111.6D298 D299 K318 Q319 V320D298-T316 WeakPolarHBondContact O-CG2 3.35Å; D299-T316 WeakPolarHBondContact O-CG2 3.29Å; T316-K318 PolarHBondContact O-N 3.07Å; T316-Q319 PolarHBondContact O-N 2.79Å; T316-Q319 VanDerWaalsContact O-N 3.14Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.39Å; T316-Q319 PolarHBondContact OG1-N 3.29Å; T316-Q319 PolarHBondContact OG1-OE1 3.04Å; T316-V320 WeakPolarHBondContact O-CG2 3.4Å; T316-V320 PolarHBondContact O-N 3.21Å
317L83.1Confident81.4Confident26 Ų2641.7 Ų41.714%0.13627%0.268CS..Hα-helixtrans-58.6-34.6177-179.559.3000112.3R321 L441 A444 M445 S448L317-R321 HydrophobicContact CD1-CG 3.98Å; L317-R321 HydrophobicContact CG-CG 4.44Å; L317-R321 WeakPolarHBondContact O-CB 3.37Å; L317-R321 VanDerWaalsContact O-CG 3.22Å; L317-R321 WeakPolarHBondContact O-CG 3.43Å; L317-R321 PolarHBondContact O-N 3.23Å; L317-R321 VanDerWaalsContact O-N 3.12Å; L317-L441 HydrophobicContact CD1-CD1 4.17Å; L317-A444 HydrophobicContact CB-CB 4.06Å; L317-A444 HydrophobicContact CD1-CB 4.12Å; L317-M445 HydrophobicContact CD1-CB 4.43Å; L317-M445 HydrophobicContact CD1-CG 3.51Å; L317-M445 HydrophobicContact CD2-CG 4.33Å; L317-S448 VanDerWaalsContact CD2-OG 3.26Å; L317-S448 WeakPolarHBondContact CD2-OG 3.48Å
318K82.4Confident83.5Confident37 Ų3740.6 Ų40.616%0.16124%0.24CC..Hα-helixtrans-63.1-51.6175.2-179.3-176.3-167.3174.80111.1Y273 M282 D299 T316 R321 L322Y273-K318 HydrophobicContact CD1-CG 4.01Å; M282-K318 HydrophobicContact CE-CB 3.72Å; M282-K318 HydrophobicContact CE-CD 3.48Å; M282-K318 VanDerWaalsContact CE-CD 3.48Å; M282-K318 HydrophobicContact CE-CG 3.57Å; M282-K318 HydrophobicContact SD-CD 3.57Å; M282-K318 VanDerWaalsContact SD-CD 3.57Å; M282-K318 VanDerWaalsContact SD-CE 3.56Å; M282-K318 HydrophobicContact SD-CG 4.34Å; M282-K318 PolarHBondContact SD-NZ 3.04Å; D299-K318 IonicContact OD2-NZ 2.8Å; D299-K318 PolarHBondContact OD2-NZ 3.49Å; T316-K318 PolarHBondContact O-N 3.07Å; K318-R321 PolarHBondContact O-N 3.17Å; K318-L322 HydrophobicContact CG-CD1 3.93Å; K318-L322 WeakPolarHBondContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CG 3.34Å; K318-L322 PolarHBondContact O-N 3.35Å
319Q87.5Confident85.3Confident28 Ų2838.7 Ų38.713%0.13123%0.225CC..Hα-helixtrans-56.3-55.4179.1-74.1177.1-61.900111D299 P315 T316 R321 L322 W323 D333D299-Q319 PolarHBondContact O-OE1 3.3Å; P315-Q319 HydrophobicContact CB-CB 3.94Å; T316-Q319 PolarHBondContact O-N 2.79Å; T316-Q319 VanDerWaalsContact O-N 3.14Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.39Å; T316-Q319 PolarHBondContact OG1-N 3.29Å; T316-Q319 PolarHBondContact OG1-OE1 3.04Å; Q319-R321 VanDerWaalsContact C-N 3.3Å; Q319-R321 PolarHBondContact O-N 3.47Å; Q319-L322 PolarHBondContact O-N 3Å; Q319-L322 VanDerWaalsContact O-N 3.1Å; Q319-W323 HydrophobicContact CB-CZ2 4.1Å; Q319-W323 PolarHBondContact O-N 2.86Å; Q319-W323 PolarHBondContact O-NE1 3.25Å; Q319-D333 WeakPolarHBondContact CG-OD2 3.37Å; Q319-D333 PolarHBondContact NE2-OD1 2.99Å; Q319-D333 PolarHBondContact NE2-OD2 3.44Å
320V89.5Confident86.7Confident0 Ų031.9 Ų31.90%018%0.184CC..Hα-helixtrans-58.4-44.1-177.5-1740000111.3P315 T316 W323 G324 Y437 L440 L441 A444P315-V320 HydrophobicContact CB-CG2 3.64Å; P315-V320 HydrophobicContact CG-CG2 3.22Å; T316-V320 WeakPolarHBondContact O-CG2 3.4Å; T316-V320 PolarHBondContact O-N 3.21Å; V320-W323 WeakPolarHBondContact O-CB 3.35Å; V320-W323 PolarHBondContact O-N 2.88Å; V320-G324 PolarHBondContact O-N 3.41Å; V320-Y437 HydrophobicContact CG1-CD2 4.18Å; V320-Y437 HydrophobicContact CG1-CE2 3.53Å; V320-Y437 PolarHBondContact O-OH 2.77Å; V320-L440 HydrophobicContact CG1-CB 4.45Å; V320-L440 HydrophobicContact CG2-CB 4.32Å; V320-L441 HydrophobicContact CB-CD1 4.37Å; V320-L441 HydrophobicContact CG1-CB 3.84Å; V320-L441 HydrophobicContact CG1-CD1 3.84Å; V320-L441 HydrophobicContact CG1-CG 4.43Å; V320-A444 HydrophobicContact CG2-CB 4.3Å
321R88.7Confident87.8Confident105 Ų10531.7 Ų31.740%0.39618%0.175SC..Hα-helixtrans-67-38.5179.4-69.9177.6167.7174-0.8112.5Y273 L317 K318 Q319 W323 G324 T325 L441Y273-R321 HydrophobicContact CE1-CB 4.04Å; Y273-R321 WeakPolarHBondContact OH-CB 3.44Å; L317-R321 HydrophobicContact CD1-CG 3.98Å; L317-R321 HydrophobicContact CG-CG 4.44Å; L317-R321 WeakPolarHBondContact O-CB 3.37Å; L317-R321 VanDerWaalsContact O-CG 3.22Å; L317-R321 WeakPolarHBondContact O-CG 3.43Å; L317-R321 PolarHBondContact O-N 3.23Å; L317-R321 VanDerWaalsContact O-N 3.12Å; K318-R321 PolarHBondContact O-N 3.17Å; Q319-R321 VanDerWaalsContact C-N 3.3Å; Q319-R321 PolarHBondContact O-N 3.47Å; R321-W323 VanDerWaalsContact C-N 3.33Å; R321-G324 PolarHBondContact O-N 3.22Å; R321-G324 VanDerWaalsContact O-N 3.15Å; R321-T325 PolarHBondContact O-N 3.41Å; R321-L441 HydrophobicContact CG-CD1 3.98Å
322L89.4Confident88.1Confident29 Ų2939.2 Ų39.215%0.15220%0.197CC..Hα-helixtrans-63.3-39.4173.7-79.6171.8000111.7Y273 K318 Q319 G324 T325 H329Y273-L322 HydrophobicContact CD1-CD2 4.3Å; Y273-L322 HydrophobicContact CD1-CG 4.16Å; Y273-L322 HydrophobicContact CD2-CD2 3.44Å; Y273-L322 VanDerWaalsContact CD2-CD2 3.44Å; Y273-L322 HydrophobicContact CD2-CG 4.16Å; Y273-L322 HydrophobicContact CE1-CG 4.32Å; Y273-L322 HydrophobicContact CE2-CD2 3.8Å; Y273-L322 HydrophobicContact CE2-CG 4.35Å; Y273-L322 HydrophobicContact CG-CD2 3.73Å; Y273-L322 HydrophobicContact CG-CG 4.08Å; K318-L322 HydrophobicContact CG-CD1 3.93Å; K318-L322 WeakPolarHBondContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CG 3.34Å; K318-L322 PolarHBondContact O-N 3.35Å; Q319-L322 PolarHBondContact O-N 3Å; Q319-L322 VanDerWaalsContact O-N 3.1Å; L322-G324 PolarHBondContact O-N 3.12Å; L322-T325 PolarHBondContact O-N 3.3Å; L322-T325 PolarHBondContact O-OG1 3.01Å; L322-H329 HydrophobicContact CB-CB 4.32Å; L322-H329 WeakPolarHBondContact O-CB 3.33Å
323W93.3Very high88.6Confident1 Ų140 Ų400%0.00420%0.199CC..Hα-helixtrans-59.7-31.1174.2-58.8-5.6000111.9P315 Q319 V320 R321 L330 D333 N335 G336 W339 Y428 Y437 L440P315-W323 HydrophobicContact CB-CH2 3.44Å; P315-W323 VanDerWaalsContact CB-CH2 3.44Å; P315-W323 HydrophobicContact CB-CZ2 3.77Å; P315-W323 HydrophobicContact CB-CZ3 4.11Å; P315-W323 HydrophobicContact CG-CH2 3.6Å; P315-W323 HydrophobicContact CG-CZ2 4.4Å; P315-W323 HydrophobicContact CG-CZ3 3.84Å; Q319-W323 HydrophobicContact CB-CZ2 4.1Å; Q319-W323 PolarHBondContact O-N 2.86Å; Q319-W323 PolarHBondContact O-NE1 3.25Å; V320-W323 WeakPolarHBondContact O-CB 3.35Å; V320-W323 PolarHBondContact O-N 2.88Å; R321-W323 VanDerWaalsContact C-N 3.33Å; W323-L330 HydrophobicContact CB-CB 3.96Å; W323-L330 HydrophobicContact CB-CD1 4.15Å; W323-L330 HydrophobicContact CB-CG 4.16Å; W323-L330 HydrophobicContact CD2-CG 4.48Å; W323-L330 HydrophobicContact CG-CB 4.11Å; W323-L330 HydrophobicContact CG-CG 4.16Å; W323-D333 HydrophobicContact CZ2-CB 4.5Å; W323-D333 WeakPolarHBondContact CZ2-OD2 3.37Å; W323-D333 VanDerWaalsContact NE1-CG 3.27Å; W323-D333 PolarHBondContact NE1-OD2 2.67Å; W323-N335 HydrophobicContact CH2-CB 4.1Å; W323-N335 HydrophobicContact CZ2-CB 3.92Å; W323-G336 VanDerWaalsContact CE2-CA 3.49Å; W323-W339 AromaticContact CH2-CD1 3.7Å; W323-W339 HydrophobicContact CH2-CG 4.44Å; W323-W339 HydrophobicContact CZ3-CB 4.23Å; W323-W339 AromaticContact CZ3-CD1 3.83Å; W323-W339 HydrophobicContact CZ3-CG 4.16Å; W323-Y428 WeakPolarHBondContact O-CE2 3.4Å; W323-Y428 PolarHBondContact O-OH 3.1Å; W323-Y437 HydrophobicContact CB-CE2 4.41Å; W323-L440 HydrophobicContact CZ3-CD1 4.42Å
324G92.3Very high89.1Confident27 Ų2743.3 Ų43.328%0.27821%0.209SC..Hα-helixtrans-73.1-20.9174.900000115.3V320 R321 L322 Y437V320-G324 PolarHBondContact O-N 3.41Å; R321-G324 PolarHBondContact O-N 3.22Å; R321-G324 VanDerWaalsContact O-N 3.15Å; L322-G324 PolarHBondContact O-N 3.12Å; G324-Y437 WeakPolarHBondContact CA-OH 3.48Å; G324-Y437 PolarHBondContact N-OH 3.36Å
325T89.1Confident89.5Confident50 Ų5042.9 Ų42.931%0.30721%0.209SC..Hα-helixtrans-84.6-31.7-177.767.70000112.7Y273 R321 L322 H329Y273-T325 HydrophobicContact CE2-CG2 4.35Å; R321-T325 PolarHBondContact O-N 3.41Å; L322-T325 PolarHBondContact O-N 3.3Å; L322-T325 PolarHBondContact O-OG1 3.01Å; T325-H329 PolarHBondContact OG1-CD2 3.47Å
326S90.8Very high89.9Confident37 Ų3742.8 Ų42.826%0.25921%0.208SC..  trans-160.4140.1178.9-167.30000112.2N328 H329 L330 Y428S326-N328 PolarHBondContact O-N 3.37Å; S326-N328 VanDerWaalsContact O-N 3.15Å; S326-N328 PolarHBondContact OG-N 3.47Å; S326-H329 PolarHBondContact O-N 3.44Å; S326-L330 PolarHBondContact O-N 3.33Å; S326-Y428 WeakPolarHBondContact CA-OH 3.3Å; S326-Y428 PolarHBondContact N-OH 3Å
327M94.7Very high90.5Very high2 Ų244.2 Ų44.21%0.0121%0.213CC..Hα-helixtrans-56.6-31.7169.7-168.1175.779.400111.3H329 L330 I331 Y420 V423 R424 Y428M327-H329 VanDerWaalsContact C-N 3.3Å; M327-H329 PolarHBondContact O-N 3.01Å; M327-L330 PolarHBondContact O-N 3.32Å; M327-I331 HydrophobicContact CG-CG2 3.94Å; M327-I331 WeakPolarHBondContact O-CG1 3.28Å; M327-I331 WeakPolarHBondContact O-CG2 3.29Å; M327-I331 PolarHBondContact O-N 2.8Å; M327-Y420 HydrophobicContact CE-CD1 4.02Å; M327-Y420 HydrophobicContact CE-CD2 3.32Å; M327-Y420 HydrophobicContact CE-CE1 3.81Å; M327-Y420 HydrophobicContact CE-CE2 3.09Å; M327-Y420 HydrophobicContact CE-CG 3.78Å; M327-Y420 WeakPolarHBondContact CE-O 3.47Å; M327-V423 HydrophobicContact SD-CB 4.3Å; M327-V423 HydrophobicContact SD-CG1 3.77Å; M327-R424 HydrophobicContact CE-CB 3.66Å; M327-R424 HydrophobicContact CE-CG 4.33Å; M327-R424 WeakPolarHBondContact SD-CA 3.25Å; M327-R424 HydrophobicContact SD-CB 3.81Å; M327-R424 HydrophobicContact SD-CG 4.39Å; M327-Y428 HydrophobicContact CB-CD1 3.92Å; M327-Y428 HydrophobicContact CB-CD2 3.86Å; M327-Y428 HydrophobicContact CB-CE1 4.02Å; M327-Y428 HydrophobicContact CB-CE2 3.94Å; M327-Y428 HydrophobicContact CB-CG 3.83Å; M327-Y428 HydrophobicContact CG-CD1 4.46Å; M327-Y428 HydrophobicContact CG-CD2 3.84Å; M327-Y428 HydrophobicContact CG-CE2 4.34Å; M327-Y428 HydrophobicContact CG-CG 3.9Å; M327-Y428 VanDerWaalsContact N-CZ 3.27Å; M327-Y428 PolarHBondContact N-OH 3.09Å; M327-Y428 HydrophobicContact SD-CG 4.1Å
328N92.5Very high91Very high71 Ų7146.6 Ų46.638%0.3822%0.223SC..Hα-helixtrans-59.9-36.6175.5-82.1-46.1000113.4S326 R332 Y420S326-N328 PolarHBondContact O-N 3.37Å; S326-N328 VanDerWaalsContact O-N 3.15Å; S326-N328 PolarHBondContact OG-N 3.47Å; N328-R332 WeakPolarHBondContact O-CB 3.34Å; N328-R332 WeakPolarHBondContact O-CD 3.46Å; N328-R332 WeakPolarHBondContact O-CG 3.33Å; N328-R332 PolarHBondContact O-N 3.23Å; N328-Y420 PolarHBondContact ND2-OH 3Å; N328-Y420 PolarHBondContact OD1-OH 2.89Å
329H91.8Very high91.6Very high52 Ų5245.6 Ų45.624%0.24122%0.218CC..Hα-helixtrans-70.9-44.9175.9-76.2-68.1000110.7H270 L322 T325 S326 M327 I331 R332 D333H270-H329 AromaticContact CD2-NE2 3.57Å; H270-H329 AromaticContact CE1-NE2 3.96Å; H270-H329 AromaticContact NE2-CD2 3.8Å; H270-H329 AromaticContact NE2-CE1 3.66Å; H270-H329 AromaticContact NE2-NE2 2.82Å; H270-H329 PolarHBondContact NE2-NE2 2.99Å; L322-H329 HydrophobicContact CB-CB 4.32Å; L322-H329 WeakPolarHBondContact O-CB 3.33Å; T325-H329 PolarHBondContact OG1-CD2 3.47Å; S326-H329 PolarHBondContact O-N 3.44Å; M327-H329 VanDerWaalsContact C-N 3.3Å; M327-H329 PolarHBondContact O-N 3.01Å; H329-I331 PolarHBondContact O-N 2.73Å; H329-R332 PolarHBondContact O-N 3.21Å; H329-D333 PolarHBondContact O-N 2.94Å
330L93.7Very high91.9Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-57.9-50.5177.8-174.9162.6000111.4W323 S326 M327 R332 D333 G336 L340 Y428 F431W323-L330 HydrophobicContact CB-CB 3.96Å; W323-L330 HydrophobicContact CB-CD1 4.15Å; W323-L330 HydrophobicContact CB-CG 4.16Å; W323-L330 HydrophobicContact CD2-CG 4.48Å; W323-L330 HydrophobicContact CG-CB 4.11Å; W323-L330 HydrophobicContact CG-CG 4.16Å; S326-L330 PolarHBondContact O-N 3.33Å; M327-L330 PolarHBondContact O-N 3.32Å; L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.32Å; L330-D333 PolarHBondContact O-N 3.39Å; L330-D333 VanDerWaalsContact O-O 3.08Å; L330-G336 WeakPolarHBondContact CD2-O 3.36Å; L330-L340 HydrophobicContact CD1-CB 4.34Å; L330-L340 HydrophobicContact CD1-CD2 4.48Å; L330-L340 HydrophobicContact CD2-CB 3.61Å; L330-L340 HydrophobicContact CD2-CD2 3.53Å; L330-L340 HydrophobicContact CD2-CG 4.19Å; L330-Y428 HydrophobicContact CB-CE2 4.43Å; L330-Y428 HydrophobicContact CD1-CD2 3.96Å; L330-Y428 HydrophobicContact CD1-CE2 3.89Å; L330-F431 HydrophobicContact CD1-CD1 3.69Å; L330-F431 HydrophobicContact CD1-CE1 3.43Å; L330-F431 VanDerWaalsContact CD1-CE1 3.43Å; L330-F431 HydrophobicContact CD1-CZ 4.41Å
331I92.6Very high92.2Very high28 Ų2846 Ų4614%0.14422%0.22CC..Hα-helixtrans-74.4-15.3-175.770.6-179.2000113.5M327 H329 Q337 L340 F353 Y420M327-I331 HydrophobicContact CG-CG2 3.94Å; M327-I331 WeakPolarHBondContact O-CG1 3.28Å; M327-I331 WeakPolarHBondContact O-CG2 3.29Å; M327-I331 PolarHBondContact O-N 2.8Å; H329-I331 PolarHBondContact O-N 2.73Å; I331-Q337 VanDerWaalsContact O-CG 3.28Å; I331-Q337 WeakPolarHBondContact O-CG 3.4Å; I331-Q337 PolarHBondContact O-NE2 3.28Å; I331-L340 HydrophobicContact CG2-CD2 4.44Å; I331-F353 HydrophobicContact CB-CE2 4.44Å; I331-F353 HydrophobicContact CG2-CE2 3.68Å; I331-F353 HydrophobicContact CG2-CZ 4.28Å; I331-Y420 HydrophobicContact CD1-CD2 4.37Å; I331-Y420 HydrophobicContact CD1-CE2 3.75Å
332R90.2Very high92.5Very high208 Ų20843.8 Ų43.879%0.78521%0.214SC*.Hα-helixtrans-85.7-21.2173.4-75.4175.7179.7-133.90.2112.3N328 H329 L330N328-R332 WeakPolarHBondContact O-CB 3.34Å; N328-R332 WeakPolarHBondContact O-CD 3.46Å; N328-R332 WeakPolarHBondContact O-CG 3.33Å; N328-R332 PolarHBondContact O-N 3.23Å; H329-R332 PolarHBondContact O-N 3.21Å; L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.32Å
333D90.6Very high92.7Very high32 Ų3243 Ų4317%0.17121%0.209CC..SBendtrans-85.5120.7174.7-172.3-34.3000109.9Q319 W323 H329 L330 N335 G336 Q337Q319-D333 WeakPolarHBondContact CG-OD2 3.37Å; Q319-D333 PolarHBondContact NE2-OD1 2.99Å; Q319-D333 PolarHBondContact NE2-OD2 3.44Å; W323-D333 HydrophobicContact CZ2-CB 4.5Å; W323-D333 WeakPolarHBondContact CZ2-OD2 3.37Å; W323-D333 VanDerWaalsContact NE1-CG 3.27Å; W323-D333 PolarHBondContact NE1-OD2 2.67Å; H329-D333 PolarHBondContact O-N 2.94Å; L330-D333 PolarHBondContact O-N 3.39Å; L330-D333 VanDerWaalsContact O-O 3.08Å; D333-N335 PolarHBondContact O-N 2.88Å; D333-N335 WeakPolarHBondContact OD1-CA 3.39Å; D333-N335 VanDerWaalsContact OD1-CB 3.27Å; D333-N335 WeakPolarHBondContact OD1-CB 3.26Å; D333-N335 PolarHBondContact OD1-N 3.32Å; D333-G336 WeakPolarHBondContact O-CA 3.47Å; D333-G336 PolarHBondContact O-N 2.65Å; D333-G336 VanDerWaalsContact O-N 3.08Å; D333-G336 PolarHBondContact OD1-N 3Å; D333-Q337 WeakPolarHBondContact O-CG 3.19Å; D333-Q337 PolarHBondContact O-N 2.86Å
334E90.9Very high92.9Very high127 Ų12743 Ų4359%0.59321%0.209SC*.Hα-helixtrans-58.6-36.9179.7-167.2-167.7147.200112.3K338E334-K338 WeakPolarHBondContact O-CG 3.27Å; E334-K338 PolarHBondContact O-N 3.21Å; E334-K338 WeakPolarHBondContact OE1-CE 3.39Å; E334-K338 IonicContact OE1-NZ 2.72Å; E334-K338 PolarHBondContact OE1-NZ 3.02Å
335N90.4Very high93Very high16 Ų1645.3 Ų45.39%0.08621%0.213CC..Hα-helixtrans-69-43.9176.2-166.62.6000110A312 P313 W323 D333 Q337 K338 W339A312-N335 WeakPolarHBondContact CB-OD1 3.14Å; P313-N335 PolarHBondContact O-ND2 3.43Å; P313-N335 PolarHBondContact O-OD1 3.18Å; P313-N335 VanDerWaalsContact O-OD1 3.06Å; W323-N335 HydrophobicContact CH2-CB 4.1Å; W323-N335 HydrophobicContact CZ2-CB 3.92Å; D333-N335 PolarHBondContact O-N 2.88Å; D333-N335 WeakPolarHBondContact OD1-CA 3.39Å; D333-N335 VanDerWaalsContact OD1-CB 3.27Å; D333-N335 WeakPolarHBondContact OD1-CB 3.26Å; D333-N335 PolarHBondContact OD1-N 3.32Å; N335-Q337 VanDerWaalsContact C-N 3.32Å; N335-Q337 PolarHBondContact O-N 3.15Å; N335-K338 PolarHBondContact O-N 3Å; N335-K338 VanDerWaalsContact O-N 3.15Å; N335-W339 VanDerWaalsContact O-CD1 3.25Å; N335-W339 PolarHBondContact O-N 2.85Å; N335-W339 VanDerWaalsContact O-N 3.11Å; N335-W339 PolarHBondContact OD1-NE1 3.37Å; N335-W339 VanDerWaalsContact OD1-NE1 3.13Å
336G93.1Very high93.2Very high0 Ų048 Ų480%022%0.22CC..Hα-helixtrans-57.9-42.5175.600000112.9W323 L330 D333 K338 W339 L340W323-G336 VanDerWaalsContact CE2-CA 3.49Å; L330-G336 WeakPolarHBondContact CD2-O 3.36Å; D333-G336 WeakPolarHBondContact O-CA 3.47Å; D333-G336 PolarHBondContact O-N 2.65Å; D333-G336 VanDerWaalsContact O-N 3.08Å; D333-G336 PolarHBondContact OD1-N 3Å; G336-K338 PolarHBondContact O-N 2.8Å; G336-W339 PolarHBondContact O-N 3.2Å; G336-L340 PolarHBondContact O-N 3.13Å
337Q94.2Very high93.4Very high53 Ų5349.1 Ų49.125%0.24822%0.221CC..Hα-helixtrans-57.5-47.3174.7-67.6178.530.600111.9I331 D333 N335 W339 L340 E341 F353 Q357I331-Q337 VanDerWaalsContact O-CG 3.28Å; I331-Q337 WeakPolarHBondContact O-CG 3.4Å; I331-Q337 PolarHBondContact O-NE2 3.28Å; D333-Q337 WeakPolarHBondContact O-CG 3.19Å; D333-Q337 PolarHBondContact O-N 2.86Å; N335-Q337 VanDerWaalsContact C-N 3.32Å; N335-Q337 PolarHBondContact O-N 3.15Å; Q337-W339 PolarHBondContact O-N 2.97Å; Q337-L340 PolarHBondContact O-N 3.06Å; Q337-E341 WeakPolarHBondContact O-CB 3.39Å; Q337-E341 PolarHBondContact O-N 3.38Å; Q337-F353 HydrophobicContact CB-CE1 4.06Å; Q337-F353 HydrophobicContact CB-CZ 3.94Å; Q337-F353 HydrophobicContact CG-CZ 3.98Å; Q337-F353 WeakPolarHBondContact O-CE1 3.24Å; Q337-Q357 VanDerWaalsContact OE1-NE2 3.11Å
338K93.7Very high93.3Very high76 Ų7658.9 Ų58.933%0.3326%0.259SS..Hα-helixtrans-63.3-41.3-179.3-69.1170.1-172.41660111.9A312 E334 N335 G336 H342A312-K338 HydrophobicContact CB-CB 3.72Å; A312-K338 HydrophobicContact CB-CD 3.57Å; A312-K338 HydrophobicContact CB-CG 4.27Å; E334-K338 WeakPolarHBondContact O-CG 3.27Å; E334-K338 PolarHBondContact O-N 3.21Å; E334-K338 WeakPolarHBondContact OE1-CE 3.39Å; E334-K338 IonicContact OE1-NZ 2.72Å; E334-K338 PolarHBondContact OE1-NZ 3.02Å; N335-K338 PolarHBondContact O-N 3Å; N335-K338 VanDerWaalsContact O-N 3.15Å; G336-K338 PolarHBondContact O-N 2.8Å; K338-H342 WeakPolarHBondContact O-CB 3.3Å; K338-H342 PolarHBondContact O-N 3.42Å
339W93.8Very high93.4Very high15 Ų1556.2 Ų56.26%0.05725%0.246CC..Hα-helixtrans-67.7-42.7178.2-80.1102000113.1P311 W323 N335 G336 Q337 F343 F431 L440P311-W339 HydrophobicContact CG-CD2 3.77Å; P311-W339 HydrophobicContact CG-CE3 3.82Å; P311-W339 HydrophobicContact CG-CG 4.22Å; P311-W339 HydrophobicContact CG-CZ2 4.47Å; P311-W339 HydrophobicContact CG-CZ3 4.24Å; W323-W339 AromaticContact CH2-CD1 3.7Å; W323-W339 HydrophobicContact CH2-CG 4.44Å; W323-W339 HydrophobicContact CZ3-CB 4.23Å; W323-W339 AromaticContact CZ3-CD1 3.83Å; W323-W339 HydrophobicContact CZ3-CG 4.16Å; N335-W339 VanDerWaalsContact O-CD1 3.25Å; N335-W339 PolarHBondContact O-N 2.85Å; N335-W339 VanDerWaalsContact O-N 3.11Å; N335-W339 PolarHBondContact OD1-NE1 3.37Å; N335-W339 VanDerWaalsContact OD1-NE1 3.13Å; G336-W339 PolarHBondContact O-N 3.2Å; Q337-W339 PolarHBondContact O-N 2.97Å; W339-F343 PolarHBondContact O-N 3Å; W339-F431 HydrophobicContact CB-CE2 4.32Å; W339-F431 HydrophobicContact CB-CZ 4.12Å; W339-L440 HydrophobicContact CD2-CD1 3.54Å; W339-L440 HydrophobicContact CD2-CD2 4.3Å; W339-L440 HydrophobicContact CD2-CG 4.48Å; W339-L440 HydrophobicContact CE3-CD1 3.64Å; W339-L440 HydrophobicContact CE3-CD2 4.47Å; W339-L440 HydrophobicContact CE3-CG 4.44Å; W339-L440 HydrophobicContact CG-CD1 4.01Å; W339-L440 HydrophobicContact CH2-CD1 4.2Å; W339-L440 HydrophobicContact CH2-CD2 3.52Å; W339-L440 HydrophobicContact CH2-CG 4.17Å; W339-L440 HydrophobicContact CZ2-CD1 4.15Å; W339-L440 HydrophobicContact CZ2-CD2 3.31Å; W339-L440 HydrophobicContact CZ2-CG 4.25Å; W339-L440 HydrophobicContact CZ3-CD1 3.95Å; W339-L440 HydrophobicContact CZ3-CD2 4.11Å; W339-L440 HydrophobicContact CZ3-CG 4.26Å
340L95Very high93.6Very high0 Ų054.5 Ų54.50%024%0.24CC..Hα-helixtrans-69.3-40.3176.4177.365.2000112L330 I331 G336 Q337 H342 F343 M344 F353 V423 F431L330-L340 HydrophobicContact CD1-CB 4.34Å; L330-L340 HydrophobicContact CD1-CD2 4.48Å; L330-L340 HydrophobicContact CD2-CB 3.61Å; L330-L340 HydrophobicContact CD2-CD2 3.53Å; L330-L340 HydrophobicContact CD2-CG 4.19Å; I331-L340 HydrophobicContact CG2-CD2 4.44Å; G336-L340 PolarHBondContact O-N 3.13Å; Q337-L340 PolarHBondContact O-N 3.06Å; L340-H342 VanDerWaalsContact C-N 3.34Å; L340-H342 PolarHBondContact O-N 3.31Å; L340-F343 HydrophobicContact CD1-CD1 4.44Å; L340-F343 PolarHBondContact O-N 3.11Å; L340-M344 HydrophobicContact CD1-CG 4.15Å; L340-M344 HydrophobicContact CD1-SD 3.96Å; L340-M344 HydrophobicContact CD2-SD 4.45Å; L340-M344 HydrophobicContact CG-CG 4.46Å; L340-M344 HydrophobicContact CG-SD 3.9Å; L340-M344 WeakPolarHBondContact O-CG 3.42Å; L340-M344 PolarHBondContact O-N 3.47Å; L340-F353 HydrophobicContact CD2-CD2 4.01Å; L340-F353 HydrophobicContact CD2-CE2 3.8Å; L340-F353 HydrophobicContact CD2-CZ 4.31Å; L340-V423 HydrophobicContact CD2-CG1 4.45Å; L340-F431 HydrophobicContact CD1-CB 3.94Å; L340-F431 HydrophobicContact CD1-CD1 4.42Å; L340-F431 HydrophobicContact CD1-CG 4.04Å
341E95.5Very high93.8Very high37 Ų3756.4 Ų56.417%0.17325%0.249CC..Hα-helixtrans-60.1-45.8175.1-165.6-172.6159.200110.8Q337 F343 M344 Q345 C350 F353 R354Q337-E341 WeakPolarHBondContact O-CB 3.39Å; Q337-E341 PolarHBondContact O-N 3.38Å; E341-F343 VanDerWaalsContact C-N 3.35Å; E341-F343 PolarHBondContact O-N 3.37Å; E341-M344 PolarHBondContact O-N 3Å; E341-Q345 WeakPolarHBondContact O-CB 3.47Å; E341-Q345 VanDerWaalsContact O-CG 3.27Å; E341-Q345 WeakPolarHBondContact O-CG 3.49Å; E341-Q345 PolarHBondContact O-N 2.81Å; E341-Q345 PolarHBondContact OE1-NE2 3Å; E341-C350 HydrophobicContact CG-CB 4.48Å; E341-F353 HydrophobicContact CB-CD1 3.75Å; E341-F353 HydrophobicContact CB-CE1 4Å; E341-F353 HydrophobicContact CG-CD1 4.03Å; E341-R354 IonicContact OE1-CZ 3.69Å; E341-R354 IonicContact OE1-NE 3.51Å; E341-R354 PolarHBondContact OE1-NE 3.04Å; E341-R354 IonicContact OE1-NH2 2.86Å; E341-R354 PolarHBondContact OE1-NH2 3.06Å
342H94.2Very high94Very high58 Ų5855.9 Ų55.927%0.26925%0.246SC..Hα-helixtrans-60.1-42.5176.3-177.370.7000112.6P311 K338 L340 Q345 K346P311-H342 HydrophobicContact CB-CB 3.83Å; P311-H342 HydrophobicContact CG-CB 3.68Å; K338-H342 WeakPolarHBondContact O-CB 3.3Å; K338-H342 PolarHBondContact O-N 3.42Å; L340-H342 VanDerWaalsContact C-N 3.34Å; L340-H342 PolarHBondContact O-N 3.31Å; H342-Q345 PolarHBondContact O-N 3.45Å; H342-K346 VanDerWaalsContact NE2-CE 3.29Å; H342-K346 WeakPolarHBondContact NE2-CE 3.4Å; H342-K346 PolarHBondContact O-N 3.45Å
343F95.3Very high94.3Very high14 Ų1446.1 Ų46.16%0.06121%0.21CC..Hα-helixtrans-60.7-47.8174.9174.1-97.9000111.5W339 L340 E341 Q345 K346 E347 S427 R430 F431W339-F343 PolarHBondContact O-N 3Å; L340-F343 HydrophobicContact CD1-CD1 4.44Å; L340-F343 PolarHBondContact O-N 3.11Å; E341-F343 VanDerWaalsContact C-N 3.35Å; E341-F343 PolarHBondContact O-N 3.37Å; F343-Q345 VanDerWaalsContact C-N 3.3Å; F343-Q345 PolarHBondContact O-N 3.4Å; F343-K346 WeakPolarHBondContact O-CB 3.33Å; F343-K346 PolarHBondContact O-N 2.87Å; F343-E347 HydrophobicContact CE1-CG 4.46Å; F343-E347 VanDerWaalsContact CE1-OE2 3.23Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.34Å; F343-E347 HydrophobicContact CZ-CG 4.29Å; F343-E347 VanDerWaalsContact CZ-OE1 3.22Å; F343-E347 WeakPolarHBondContact CZ-OE1 3.43Å; F343-E347 WeakPolarHBondContact CZ-OE2 3.34Å; F343-E347 PolarHBondContact O-N 3.42Å; F343-S427 WeakPolarHBondContact CE1-O 3.46Å; F343-R430 HydrophobicContact CE1-CB 4.11Å; F343-R430 HydrophobicContact CZ-CB 3.81Å; F343-F431 HydrophobicContact CB-CD2 3.68Å; F343-F431 HydrophobicContact CB-CE2 4.27Å; F343-F431 HydrophobicContact CD1-CB 3.74Å; F343-F431 HydrophobicContact CD1-CD2 4.16Å; F343-F431 HydrophobicContact CD1-CG 4.42Å; F343-F431 HydrophobicContact CD2-CD2 4.11Å; F343-F431 HydrophobicContact CE1-CB 3.91Å; F343-F431 HydrophobicContact CG-CB 4.12Å; F343-F431 AromaticContact CG-CD2 3.7Å; F343-F431 HydrophobicContact CG-CD2 3.7Å; F343-F431 HydrophobicContact CG-CG 4.39Å; F343-F431 HydrophobicContact CZ-CB 4.43Å
344M96.3Very high94.6Very high0 Ų048.6 Ų48.60%022%0.217CC..Hα-helixtrans-68.7-28.6179.6-67.7177.763.800112.6L340 E341 E347 Y348 S349 C350 N352 F353 V423L340-M344 HydrophobicContact CD1-CG 4.15Å; L340-M344 HydrophobicContact CD1-SD 3.96Å; L340-M344 HydrophobicContact CD2-SD 4.45Å; L340-M344 HydrophobicContact CG-CG 4.46Å; L340-M344 HydrophobicContact CG-SD 3.9Å; L340-M344 WeakPolarHBondContact O-CG 3.42Å; L340-M344 PolarHBondContact O-N 3.47Å; E341-M344 PolarHBondContact O-N 3Å; M344-E347 CarbonylContact O-C 3.55Å; M344-E347 PolarHBondContact O-N 3.39Å; M344-Y348 PolarHBondContact O-N 3.4Å; M344-S349 WeakPolarHBondContact CE-O 3.23Å; M344-S349 PolarHBondContact O-N 3.32Å; M344-S349 PolarHBondContact O-OG 3.49Å; M344-C350 HydrophobicContact CB-CB 4.16Å; M344-C350 PolarHBondContact O-N 2.83Å; M344-N352 HydrophobicContact CE-CB 4.07Å; M344-F353 HydrophobicContact CE-CB 3.88Å; M344-F353 HydrophobicContact SD-CB 3.78Å; M344-F353 HydrophobicContact SD-CG 4.33Å; M344-V423 HydrophobicContact CE-CG1 4.23Å; M344-V423 HydrophobicContact CE-CG2 3.92Å; M344-V423 HydrophobicContact SD-CG1 4Å
345Q95.2Very high94.9Very high76 Ų7642.6 Ų42.636%0.35519%0.188SC..Hα-helixtrans-63.9-41.5171.7-76.9174.119.500111.5E341 H342 F343 E347 Y348 C350E341-Q345 WeakPolarHBondContact O-CB 3.47Å; E341-Q345 VanDerWaalsContact O-CG 3.27Å; E341-Q345 WeakPolarHBondContact O-CG 3.49Å; E341-Q345 PolarHBondContact O-N 2.81Å; E341-Q345 PolarHBondContact OE1-NE2 3Å; H342-Q345 PolarHBondContact O-N 3.45Å; F343-Q345 VanDerWaalsContact C-N 3.3Å; F343-Q345 PolarHBondContact O-N 3.4Å; Q345-E347 PolarHBondContact O-N 3.19Å; Q345-Y348 PolarHBondContact O-N 3.25Å; Q345-Y348 VanDerWaalsContact O-N 3.1Å; Q345-C350 HydrophobicContact CB-CB 4.27Å; Q345-C350 HydrophobicContact CG-CB 3.46Å; Q345-C350 VanDerWaalsContact CG-CB 3.46Å
346K93.6Very high95.3Very high106 Ų10642.2 Ų42.246%0.46119%0.187SC..Hα-helixtrans-61.2-30.7174.5-66.9177.4-178.2178.90112.5H342 F343 D436H342-K346 VanDerWaalsContact NE2-CE 3.29Å; H342-K346 WeakPolarHBondContact NE2-CE 3.4Å; H342-K346 PolarHBondContact O-N 3.45Å; F343-K346 WeakPolarHBondContact O-CB 3.33Å; F343-K346 PolarHBondContact O-N 2.87Å; K346-D436 VanDerWaalsContact NZ-CG 3.32Å; K346-D436 IonicContact NZ-OD1 3.6Å; K346-D436 PolarHBondContact NZ-OD1 3.31Å; K346-D436 IonicContact NZ-OD2 3.37Å; K346-D436 PolarHBondContact NZ-OD2 3.2Å
347E93.8Very high95.4Very high61 Ų6144 Ų4429%0.28520%0.195SC..THydrogen-bonded Turntrans-95.710.8178.8-60-169.7143.200113.1F343 M344 Q345 S349 R430F343-E347 HydrophobicContact CE1-CG 4.46Å; F343-E347 VanDerWaalsContact CE1-OE2 3.23Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.34Å; F343-E347 HydrophobicContact CZ-CG 4.29Å; F343-E347 VanDerWaalsContact CZ-OE1 3.22Å; F343-E347 WeakPolarHBondContact CZ-OE1 3.43Å; F343-E347 WeakPolarHBondContact CZ-OE2 3.34Å; F343-E347 PolarHBondContact O-N 3.42Å; M344-E347 CarbonylContact O-C 3.55Å; M344-E347 PolarHBondContact O-N 3.39Å; Q345-E347 PolarHBondContact O-N 3.19Å; E347-S349 PolarHBondContact O-N 3.28Å; E347-R430 IonicContact OE1-CZ 2.7Å; E347-R430 IonicContact OE1-NH1 2.82Å; E347-R430 PolarHBondContact OE1-NH1 3.19Å; E347-R430 IonicContact OE2-CZ 3.93Å; E347-R430 IonicContact OE2-NE 2.81Å; E347-R430 IonicContact OE2-NH1 3.28Å; E347-R430 PolarHBondContact OE2-NH1 2.92Å; E347-R430 IonicContact OE2-NH2 3.66Å
348Y92.8Very high95.5Very high206 Ų20641.9 Ų41.981%0.80819%0.186SC*.THydrogen-bonded Turntrans50.939.9-179.9-54-87.6000113.7M344 Q345M344-Y348 PolarHBondContact O-N 3.4Å; Q345-Y348 PolarHBondContact O-N 3.25Å; Q345-Y348 VanDerWaalsContact O-N 3.1Å
349S95.3Very high95.7Very high15 Ų1538.2 Ų38.211%0.10517%0.17CC..  trans-13010.1-177.560.60000114.2M344 E347 E351 N352M344-S349 WeakPolarHBondContact CE-O 3.23Å; M344-S349 PolarHBondContact O-N 3.32Å; M344-S349 PolarHBondContact O-OG 3.49Å; E347-S349 PolarHBondContact O-N 3.28Å; S349-E351 VanDerWaalsContact C-CD 3.48Å; S349-E351 WeakPolarHBondContact CA-OE1 3.36Å; S349-E351 VanDerWaalsContact CA-OE2 3.31Å; S349-E351 WeakPolarHBondContact CA-OE2 3.49Å; S349-E351 PolarHBondContact O-N 3.3Å; S349-N352 PolarHBondContact O-N 3.31Å; S349-N352 PolarHBondContact O-ND2 3.37Å; S349-N352 VanDerWaalsContact O-ND2 3.16Å
350C95.9Very high95.7Very high16 Ų1641 Ų4111%0.10819%0.186CC..Hα-helixtrans-65.9-20.6-172.767.80000114.9E341 M344 Q345 N352 F353 R354E341-C350 HydrophobicContact CG-CB 4.48Å; M344-C350 HydrophobicContact CB-CB 4.16Å; M344-C350 PolarHBondContact O-N 2.83Å; Q345-C350 HydrophobicContact CB-CB 4.27Å; Q345-C350 HydrophobicContact CG-CB 3.46Å; Q345-C350 VanDerWaalsContact CG-CB 3.46Å; C350-N352 PolarHBondContact O-N 3.47Å; C350-F353 PolarHBondContact O-N 2.84Å; C350-F353 VanDerWaalsContact O-N 3.09Å; C350-R354 WeakPolarHBondContact O-CG 3.45Å; C350-R354 PolarHBondContact O-N 2.86Å
351E97Very high95.7Very high41 Ų4148.5 Ų48.519%0.19222%0.218CC..Hα-helixtrans-56.3-37175.766-67.615600112S349 F353 R354 F355 I390S349-E351 VanDerWaalsContact C-CD 3.48Å; S349-E351 WeakPolarHBondContact CA-OE1 3.36Å; S349-E351 VanDerWaalsContact CA-OE2 3.31Å; S349-E351 WeakPolarHBondContact CA-OE2 3.49Å; S349-E351 PolarHBondContact O-N 3.3Å; E351-F353 VanDerWaalsContact C-N 3.35Å; E351-F353 PolarHBondContact O-N 2.88Å; E351-R354 PolarHBondContact O-N 3.38Å; E351-F355 WeakPolarHBondContact O-CB 3.22Å; E351-F355 PolarHBondContact O-N 3.44Å; E351-I390 HydrophobicContact CB-CG2 4.29Å; E351-I390 HydrophobicContact CG-CG2 4.01Å
352N97Very high95.8Very high16 Ų1647 Ų479%0.08621%0.211CC..Hα-helixtrans-61.2-43.6175.8-64.7-57.4000111.6M344 S349 C350 L356 I419 V423M344-N352 HydrophobicContact CE-CB 4.07Å; S349-N352 PolarHBondContact O-N 3.31Å; S349-N352 PolarHBondContact O-ND2 3.37Å; S349-N352 VanDerWaalsContact O-ND2 3.16Å; C350-N352 PolarHBondContact O-N 3.47Å; N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 2.74Å; N352-I419 HydrophobicContact CB-CG2 3.78Å; N352-I419 WeakPolarHBondContact O-CG2 3.41Å; N352-V423 HydrophobicContact CB-CG2 3.84Å
353F96.8Very high95.9Very high4 Ų446.4 Ų46.42%0.01821%0.208CC..Hα-helixtrans-72.9-40.3179.7-170.7-114.1000112.3I331 Q337 L340 E341 M344 C350 E351 F355 L356 Q357I331-F353 HydrophobicContact CB-CE2 4.44Å; I331-F353 HydrophobicContact CG2-CE2 3.68Å; I331-F353 HydrophobicContact CG2-CZ 4.28Å; Q337-F353 HydrophobicContact CB-CE1 4.06Å; Q337-F353 HydrophobicContact CB-CZ 3.94Å; Q337-F353 HydrophobicContact CG-CZ 3.98Å; Q337-F353 WeakPolarHBondContact O-CE1 3.24Å; L340-F353 HydrophobicContact CD2-CD2 4.01Å; L340-F353 HydrophobicContact CD2-CE2 3.8Å; L340-F353 HydrophobicContact CD2-CZ 4.31Å; E341-F353 HydrophobicContact CB-CD1 3.75Å; E341-F353 HydrophobicContact CB-CE1 4Å; E341-F353 HydrophobicContact CG-CD1 4.03Å; M344-F353 HydrophobicContact CE-CB 3.88Å; M344-F353 HydrophobicContact SD-CB 3.78Å; M344-F353 HydrophobicContact SD-CG 4.33Å; C350-F353 PolarHBondContact O-N 2.84Å; C350-F353 VanDerWaalsContact O-N 3.09Å; E351-F353 VanDerWaalsContact C-N 3.35Å; E351-F353 PolarHBondContact O-N 2.88Å; F353-F355 VanDerWaalsContact C-N 3.32Å; F353-F355 PolarHBondContact O-N 2.86Å; F353-L356 WeakPolarHBondContact O-CB 3.29Å; F353-L356 PolarHBondContact O-N 3.35Å; F353-Q357 HydrophobicContact CD1-CG 4.43Å; F353-Q357 HydrophobicContact CE1-CG 4.16Å; F353-Q357 HydrophobicContact CZ-CG 4.37Å; F353-Q357 WeakPolarHBondContact O-CG 3.16Å; F353-Q357 PolarHBondContact O-N 2.81Å
354R97.1Very high95.9Very high84 Ų8453.4 Ų53.432%0.31724%0.238SC..Hα-helixtrans-62.3-39.2175.2-71.8177.8175.5164.80.8112.1E341 C350 E351 Q357 A358 Y381E341-R354 IonicContact OE1-CZ 3.69Å; E341-R354 IonicContact OE1-NE 3.51Å; E341-R354 PolarHBondContact OE1-NE 3.04Å; E341-R354 IonicContact OE1-NH2 2.86Å; E341-R354 PolarHBondContact OE1-NH2 3.06Å; C350-R354 WeakPolarHBondContact O-CG 3.45Å; C350-R354 PolarHBondContact O-N 2.86Å; E351-R354 PolarHBondContact O-N 3.38Å; R354-Q357 PolarHBondContact O-N 3.46Å; R354-A358 WeakPolarHBondContact O-CB 3.44Å; R354-A358 PolarHBondContact O-N 2.92Å; R354-Y381 HydrophobicContact CB-CE1 3.99Å
355F98Very high95.9Very high0 Ų054.7 Ų54.70%025%0.252CS..Hα-helixtrans-58.2-49.1171.8172.6-105000111.4E351 F353 Q357 A358 V359 I377 Y381 I390 F412 A415 I419E351-F355 WeakPolarHBondContact O-CB 3.22Å; E351-F355 PolarHBondContact O-N 3.44Å; F353-F355 VanDerWaalsContact C-N 3.32Å; F353-F355 PolarHBondContact O-N 2.86Å; F355-Q357 VanDerWaalsContact C-N 3.31Å; F355-Q357 PolarHBondContact O-N 3.34Å; F355-A358 PolarHBondContact O-N 3.35Å; F355-A358 VanDerWaalsContact O-N 3.12Å; F355-V359 HydrophobicContact CD1-CG2 4.36Å; F355-V359 HydrophobicContact CD2-CG2 4.03Å; F355-V359 HydrophobicContact CE1-CG2 3.92Å; F355-V359 HydrophobicContact CE2-CG2 3.55Å; F355-V359 HydrophobicContact CG-CG2 4.42Å; F355-V359 HydrophobicContact CZ-CG2 3.49Å; F355-V359 VanDerWaalsContact CZ-CG2 3.49Å; F355-V359 WeakPolarHBondContact O-CG2 3.37Å; F355-V359 PolarHBondContact O-N 2.89Å; F355-I377 HydrophobicContact CD2-CG2 4.19Å; F355-I377 HydrophobicContact CE2-CG2 3.87Å; F355-Y381 HydrophobicContact CB-CD1 3.68Å; F355-Y381 HydrophobicContact CB-CE1 4Å; F355-Y381 HydrophobicContact CB-CG 4.03Å; F355-Y381 HydrophobicContact CD2-CD1 4.28Å; F355-Y381 HydrophobicContact CD2-CD2 4.07Å; F355-Y381 AromaticContact CD2-CG 3.75Å; F355-Y381 HydrophobicContact CD2-CG 3.75Å; F355-Y381 HydrophobicContact CG-CD1 4.46Å; F355-Y381 HydrophobicContact CG-CG 4.36Å; F355-I390 HydrophobicContact CB-CD1 4.07Å; F355-I390 HydrophobicContact CB-CG2 4.16Å; F355-I390 HydrophobicContact CD1-CD1 3.5Å; F355-I390 VanDerWaalsContact CD1-CD1 3.5Å; F355-I390 HydrophobicContact CD2-CD1 3.64Å; F355-I390 HydrophobicContact CE1-CD1 3.74Å; F355-I390 HydrophobicContact CE2-CD1 3.87Å; F355-I390 HydrophobicContact CG-CD1 3.43Å; F355-I390 VanDerWaalsContact CG-CD1 3.43Å; F355-I390 HydrophobicContact CZ-CD1 3.91Å; F355-F412 HydrophobicContact CZ-CB 4.33Å; F355-A415 HydrophobicContact CE1-CB 3.94Å; F355-A415 HydrophobicContact CZ-CB 3.64Å; F355-I419 HydrophobicContact CD1-CB 4.15Å; F355-I419 HydrophobicContact CD1-CG1 4Å; F355-I419 HydrophobicContact CD1-CG2 4.17Å; F355-I419 HydrophobicContact CE1-CB 4.38Å; F355-I419 HydrophobicContact CE1-CG1 4.05Å
356L96.7Very high95.9Very high9 Ų955.1 Ų55.15%0.04726%0.261CS..Hα-helixtrans-58-43.5177.4-66.4174.5000111.9N352 F353 V359 I360 Q416 I419 V423N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 2.74Å; F353-L356 WeakPolarHBondContact O-CB 3.29Å; F353-L356 PolarHBondContact O-N 3.35Å; L356-V359 PolarHBondContact O-N 2.91Å; L356-I360 VanDerWaalsContact O-CG1 3.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.93Å; L356-Q416 HydrophobicContact CD2-CG 3.75Å; L356-Q416 WeakPolarHBondContact CD2-O 3.29Å; L356-I419 HydrophobicContact CD1-CG2 4.21Å; L356-I419 HydrophobicContact CD2-CB 4.12Å; L356-I419 HydrophobicContact CD2-CG2 4.05Å; L356-I419 HydrophobicContact CG-CG2 3.92Å; L356-V423 HydrophobicContact CD1-CB 4.45Å; L356-V423 HydrophobicContact CD1-CG2 4.16Å
357Q95.7Very high96Very high37 Ų3756.6 Ų56.617%0.17327%0.273CS..Hα-helixtrans-63.7-41.2175.7-69.9174.8-48.100112Q337 F353 R354 F355 I360 K361Q337-Q357 VanDerWaalsContact OE1-NE2 3.11Å; F353-Q357 HydrophobicContact CD1-CG 4.43Å; F353-Q357 HydrophobicContact CE1-CG 4.16Å; F353-Q357 HydrophobicContact CZ-CG 4.37Å; F353-Q357 WeakPolarHBondContact O-CG 3.16Å; F353-Q357 PolarHBondContact O-N 2.81Å; R354-Q357 PolarHBondContact O-N 3.46Å; F355-Q357 VanDerWaalsContact C-N 3.31Å; F355-Q357 PolarHBondContact O-N 3.34Å; Q357-I360 PolarHBondContact O-N 3.23Å; Q357-K361 WeakPolarHBondContact O-CG 3.45Å; Q357-K361 PolarHBondContact O-N 2.71Å
358A97.1Very high96.2Very high8 Ų858.7 Ų58.77%0.06630%0.295CS..Hα-helixtrans-64.6-43.2177.900000111.8R354 F355 K361 Y362 I377 Y381R354-A358 WeakPolarHBondContact O-CB 3.44Å; R354-A358 PolarHBondContact O-N 2.92Å; F355-A358 PolarHBondContact O-N 3.35Å; F355-A358 VanDerWaalsContact O-N 3.12Å; A358-K361 PolarHBondContact O-N 3.16Å; A358-Y362 WeakPolarHBondContact O-CB 3.38Å; A358-Y362 PolarHBondContact O-N 3.28Å; A358-I377 HydrophobicContact CB-CD1 4.19Å; A358-I377 HydrophobicContact CB-CG1 4.14Å; A358-Y381 HydrophobicContact CB-CE2 4.07Å
359V97.2Very high96.4Very high0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-65.6-39.6177.2175.50000111.7F355 L356 Y362 K363 F412 Q416F355-V359 HydrophobicContact CD1-CG2 4.36Å; F355-V359 HydrophobicContact CD2-CG2 4.03Å; F355-V359 HydrophobicContact CE1-CG2 3.92Å; F355-V359 HydrophobicContact CE2-CG2 3.55Å; F355-V359 HydrophobicContact CG-CG2 4.42Å; F355-V359 HydrophobicContact CZ-CG2 3.49Å; F355-V359 VanDerWaalsContact CZ-CG2 3.49Å; F355-V359 WeakPolarHBondContact O-CG2 3.37Å; F355-V359 PolarHBondContact O-N 2.89Å; L356-V359 PolarHBondContact O-N 2.91Å; V359-Y362 WeakPolarHBondContact O-CB 3.45Å; V359-Y362 PolarHBondContact O-N 3.31Å; V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.48Å; V359-K363 PolarHBondContact O-N 3.49Å; V359-F412 HydrophobicContact CB-CB 4.47Å; V359-F412 HydrophobicContact CG1-CB 3.86Å; V359-F412 HydrophobicContact CG2-CB 3.7Å; V359-F412 HydrophobicContact CG2-CD2 4.3Å; V359-F412 HydrophobicContact CG2-CG 4.11Å; V359-Q416 HydrophobicContact CB-CG 4.48Å; V359-Q416 HydrophobicContact CG1-CB 4.04Å; V359-Q416 HydrophobicContact CG1-CG 4.07Å
360I94.1Very high96.5Very high73 Ų7352 Ų5237%0.37427%0.27SS..Hα-helixtrans-61.2-46.6174.5-70.2169.1000110.6L356 Q357 Y362 K363 F364L356-I360 VanDerWaalsContact O-CG1 3.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.93Å; Q357-I360 PolarHBondContact O-N 3.23Å; I360-Y362 VanDerWaalsContact C-N 3.3Å; I360-Y362 PolarHBondContact O-N 3.13Å; I360-K363 PolarHBondContact O-N 3.11Å; I360-F364 HydrophobicContact CG2-CD2 4.11Å; I360-F364 WeakPolarHBondContact O-CD2 3.36Å; I360-F364 PolarHBondContact O-N 3.44Å; I360-F364 VanDerWaalsContact O-N 3.11Å
361K95.5Very high96.6Very high157 Ų15756.8 Ų56.868%0.68329%0.291SS*.Hα-helixtrans-62.7-36.1176.9-72.3176.1-177.8176.50112.5Q357 A358 G365Q357-K361 WeakPolarHBondContact O-CG 3.45Å; Q357-K361 PolarHBondContact O-N 2.71Å; A358-K361 PolarHBondContact O-N 3.16Å; K361-G365 VanDerWaalsContact O-CA 3.24Å; K361-G365 WeakPolarHBondContact O-CA 3.41Å; K361-G365 PolarHBondContact O-N 3.31Å
362Y97.3Very high96.6Very high5 Ų561.6 Ų61.62%0.0231%0.311CS..Hα-helixtrans-66.2-51.4174.7168.3-101.6000112.3A358 V359 I360 F364 G365 I370 E373 I377 N408 C411 F412A358-Y362 WeakPolarHBondContact O-CB 3.38Å; A358-Y362 PolarHBondContact O-N 3.28Å; V359-Y362 WeakPolarHBondContact O-CB 3.45Å; V359-Y362 PolarHBondContact O-N 3.31Å; I360-Y362 VanDerWaalsContact C-N 3.3Å; I360-Y362 PolarHBondContact O-N 3.13Å; Y362-F364 PolarHBondContact O-N 2.94Å; Y362-G365 PolarHBondContact O-N 2.86Å; Y362-I370 HydrophobicContact CD2-CD1 4.1Å; Y362-I370 HydrophobicContact CE1-CD1 4.38Å; Y362-I370 HydrophobicContact CE2-CB 4.38Å; Y362-I370 HydrophobicContact CE2-CD1 3.67Å; Y362-I370 HydrophobicContact CE2-CG2 4.15Å; Y362-I370 WeakPolarHBondContact CE2-O 3.32Å; Y362-E373 HydrophobicContact CD2-CB 3.74Å; Y362-E373 HydrophobicContact CE2-CB 4.4Å; Y362-I377 HydrophobicContact CD2-CD1 4.26Å; Y362-I377 HydrophobicContact CG-CD1 3.99Å; Y362-N408 WeakPolarHBondContact CE1-O 3.46Å; Y362-N408 PolarHBondContact OH-O 3.06Å; Y362-C411 HydrophobicContact CE1-CB 4.44Å; Y362-F412 AromaticContact CD1-CD2 3.72Å; Y362-F412 HydrophobicContact CD1-CD2 3.72Å; Y362-F412 HydrophobicContact CD1-CE2 4.01Å; Y362-F412 HydrophobicContact CD2-CE2 4.47Å; Y362-F412 AromaticContact CE1-CD2 3.68Å; Y362-F412 HydrophobicContact CE1-CD2 3.68Å; Y362-F412 AromaticContact CE1-CE2 3.82Å; Y362-F412 HydrophobicContact CE1-CE2 3.82Å; Y362-F412 HydrophobicContact CE2-CE2 4.29Å; Y362-F412 HydrophobicContact CG-CD2 4.36Å; Y362-F412 HydrophobicContact CG-CE2 4.32Å; Y362-F412 AromaticContact CZ-CE2 3.95Å
363K96.2Very high96.6Very high46 Ų4662.6 Ų62.620%0.232%0.315CS..Hα-helixtrans-64.8-38.2-174.5-176.1167.8-170.2159.50113V359 I360 P409 D413V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.48Å; V359-K363 PolarHBondContact O-N 3.49Å; I360-K363 PolarHBondContact O-N 3.11Å; K363-P409 HydrophobicContact CG-CB 4.45Å; K363-P409 WeakPolarHBondContact CG-O 3.31Å; K363-D413 IonicContact NZ-OD1 3.82Å; K363-D413 PolarHBondContact NZ-OD1 2.86Å; K363-D413 IonicContact NZ-OD2 3.51Å; K363-D413 PolarHBondContact NZ-OD2 3.2Å
364F95.7Very high96.7Very high162 Ų16262.4 Ų62.471%0.71132%0.315SS*.THydrogen-bonded Turntrans-105.28.8-179.4-59.9-72.2000113.4I360 Y362I360-F364 HydrophobicContact CG2-CD2 4.11Å; I360-F364 WeakPolarHBondContact O-CD2 3.36Å; I360-F364 PolarHBondContact O-N 3.44Å; I360-F364 VanDerWaalsContact O-N 3.11Å; Y362-F364 PolarHBondContact O-N 2.94Å
365G95Very high96.7Very high27 Ų2764.2 Ų64.228%0.27833%0.325SS..SBendtrans-79.3177.9175.200000112.9K361 Y362 L367K361-G365 VanDerWaalsContact O-CA 3.24Å; K361-G365 WeakPolarHBondContact O-CA 3.41Å; K361-G365 PolarHBondContact O-N 3.31Å; Y362-G365 PolarHBondContact O-N 2.86Å; G365-L367 PolarHBondContact O-N 3.05Å
366P96.6Very high96.7Very high85 Ų8568.7 Ų68.755%0.55234%0.342SS*.  trans-61.4135.6175.1-20.732.7000111.8S368 M369P366-S368 PolarHBondContact O-N 3.47Å; P366-M369 HydrophobicContact CB-CG 4.4Å; P366-M369 PolarHBondContact O-N 2.88Å
367L96.3Very high96.7Very high136 Ų13668.2 Ų68.271%0.71234%0.339SS*.G310 helixtrans-56.7-27.4177.8-66.3178.8000113.1G365 M369 I370 P409G365-L367 PolarHBondContact O-N 3.05Å; L367-M369 PolarHBondContact O-N 2.89Å; L367-I370 HydrophobicContact CD2-CG1 4.44Å; L367-I370 WeakPolarHBondContact O-CB 3.31Å; L367-I370 VanDerWaalsContact O-CG1 3.31Å; L367-I370 WeakPolarHBondContact O-CG1 3.33Å; L367-I370 PolarHBondContact O-N 3.25Å; L367-P409 HydrophobicContact CD2-CG 3.9Å
368S97.2Very high96.8Very high106 Ų10669.3 Ų69.374%0.74134%0.342SS*.G310 helixtrans-66.4-19.6176.554.90000114.4P366P366-S368 PolarHBondContact O-N 3.47Å
369M97Very high96.9Very high67 Ų6771.6 Ų71.633%0.3336%0.361SS..G310 helixtrans-94.5-7.4-178.7-68.8-66.5-66.900113P366 L367 E371 K372 E373P366-M369 HydrophobicContact CB-CG 4.4Å; P366-M369 PolarHBondContact O-N 2.88Å; L367-M369 PolarHBondContact O-N 2.89Å; M369-E371 PolarHBondContact O-N 3.12Å; M369-K372 HydrophobicContact CE-CD 3.87Å; M369-K372 PolarHBondContact O-N 2.85Å; M369-K372 VanDerWaalsContact O-N 3.15Å; M369-K372 HydrophobicContact SD-CD 4.49Å; M369-E373 HydrophobicContact CB-CG 4.15Å; M369-E373 HydrophobicContact CE-CG 4.15Å; M369-E373 WeakPolarHBondContact O-CB 3.15Å; M369-E373 PolarHBondContact O-N 3.28Å
370I97.5Very high96.9Very high13 Ų1373.9 Ų73.97%0.06737%0.372CS..Hα-helixtrans-55.9-47.2-172.6-71-68.1000112.1Y362 L367 K372 S374 P407 P409Y362-I370 HydrophobicContact CD2-CD1 4.1Å; Y362-I370 HydrophobicContact CE1-CD1 4.38Å; Y362-I370 HydrophobicContact CE2-CB 4.38Å; Y362-I370 HydrophobicContact CE2-CD1 3.67Å; Y362-I370 HydrophobicContact CE2-CG2 4.15Å; Y362-I370 WeakPolarHBondContact CE2-O 3.32Å; L367-I370 HydrophobicContact CD2-CG1 4.44Å; L367-I370 WeakPolarHBondContact O-CB 3.31Å; L367-I370 VanDerWaalsContact O-CG1 3.31Å; L367-I370 WeakPolarHBondContact O-CG1 3.33Å; L367-I370 PolarHBondContact O-N 3.25Å; I370-K372 PolarHBondContact O-N 2.96Å; I370-S374 WeakPolarHBondContact O-CB 3.38Å; I370-S374 PolarHBondContact O-N 3.19Å; I370-S374 PolarHBondContact O-OG 3.3Å; I370-P407 HydrophobicContact CG2-CB 3.84Å; I370-P407 WeakPolarHBondContact CG2-O 3.2Å; I370-P409 HydrophobicContact CD1-CB 4.27Å; I370-P409 HydrophobicContact CD1-CG 3.87Å
371E96.8Very high97.1Very high117 Ų11770.9 Ų70.955%0.54736%0.356SS..Hα-helixtrans-66.9-39.1-179.3-166.9-173.9164.200112.6M369 S374 K375M369-E371 PolarHBondContact O-N 3.12Å; E371-S374 PolarHBondContact O-OG 3.24Å; E371-S374 VanDerWaalsContact O-OG 3.1Å; E371-K375 WeakPolarHBondContact O-CG 3.38Å; E371-K375 PolarHBondContact O-N 3.46Å; E371-K375 IonicContact OE1-NZ 2.83Å; E371-K375 PolarHBondContact OE1-NZ 3.09Å
372K97.4Very high97.2Very high141 Ų14163.7 Ų63.761%0.61333%0.325SS*.Hα-helixtrans-71.3-48.5-179178.8179.7170.5-175.10111.4M369 I370 R376M369-K372 HydrophobicContact CE-CD 3.87Å; M369-K372 PolarHBondContact O-N 2.85Å; M369-K372 VanDerWaalsContact O-N 3.15Å; M369-K372 HydrophobicContact SD-CD 4.49Å; I370-K372 PolarHBondContact O-N 2.96Å; K372-R376 PolarHBondContact O-N 3.4Å; K372-R376 VanDerWaalsContact O-N 3.11Å
373E98Very high97.1Very high38 Ų3864.2 Ų64.218%0.17833%0.33CS..Hα-helixtrans-72.6-32.8-176.6-72.2-58.312200112.2Y362 M369 R376 I377Y362-E373 HydrophobicContact CD2-CB 3.74Å; Y362-E373 HydrophobicContact CE2-CB 4.4Å; M369-E373 HydrophobicContact CB-CG 4.15Å; M369-E373 HydrophobicContact CE-CG 4.15Å; M369-E373 WeakPolarHBondContact O-CB 3.15Å; M369-E373 PolarHBondContact O-N 3.28Å; E373-R376 PolarHBondContact O-N 3.01Å; E373-R376 IonicContact OE1-NE 2.69Å; E373-R376 IonicContact OE2-CZ 3.53Å; E373-R376 VanDerWaalsContact OE2-CZ 3.28Å; E373-R376 IonicContact OE2-NE 3.68Å; E373-R376 PolarHBondContact OE2-NE 2.72Å; E373-R376 IonicContact OE2-NH2 2.68Å; E373-R376 PolarHBondContact OE2-NH2 3.25Å; E373-I377 WeakPolarHBondContact O-CB 3.39Å; E373-I377 VanDerWaalsContact O-CG1 3.27Å; E373-I377 WeakPolarHBondContact O-CG1 3.03Å; E373-I377 PolarHBondContact O-N 3.36Å
374S97.8Very high96.8Very high0 Ų070.9 Ų70.90%036%0.359CS..Hα-helixtrans-62.2-44.8175.2680000111.8I370 E371 I377 Y378I370-S374 WeakPolarHBondContact O-CB 3.38Å; I370-S374 PolarHBondContact O-N 3.19Å; I370-S374 PolarHBondContact O-OG 3.3Å; E371-S374 PolarHBondContact O-OG 3.24Å; E371-S374 VanDerWaalsContact O-OG 3.1Å; S374-I377 PolarHBondContact O-N 3.1Å; S374-Y378 WeakPolarHBondContact O-CB 3.35Å; S374-Y378 PolarHBondContact O-N 3.31Å
375K97.1Very high96.7Very high122 Ų12269.7 Ų69.753%0.5337%0.365SS..Hα-helixtrans-63.4-41.8174.7-68.1174.9-170.4171.20112E371 A379E371-K375 WeakPolarHBondContact O-CG 3.38Å; E371-K375 PolarHBondContact O-N 3.46Å; E371-K375 IonicContact OE1-NZ 2.83Å; E371-K375 PolarHBondContact OE1-NZ 3.09Å; K375-A379 VanDerWaalsContact O-CB 3.29Å; K375-A379 WeakPolarHBondContact O-CB 3.42Å; K375-A379 PolarHBondContact O-N 2.87Å
376R97.8Very high96.5Very high93 Ų9369.1 Ų69.135%0.35136%0.359SS..Hα-helixtrans-62.6-50.3177.1-171.9-169.665.175.70.8111.6K372 E373 Y378 A379 E380K372-R376 PolarHBondContact O-N 3.4Å; K372-R376 VanDerWaalsContact O-N 3.11Å; E373-R376 PolarHBondContact O-N 3.01Å; E373-R376 IonicContact OE1-NE 2.69Å; E373-R376 IonicContact OE2-CZ 3.53Å; E373-R376 VanDerWaalsContact OE2-CZ 3.28Å; E373-R376 IonicContact OE2-NE 3.68Å; E373-R376 PolarHBondContact OE2-NE 2.72Å; E373-R376 IonicContact OE2-NH2 2.68Å; E373-R376 PolarHBondContact OE2-NH2 3.25Å; R376-Y378 VanDerWaalsContact C-N 3.34Å; R376-Y378 PolarHBondContact O-N 3.44Å; R376-A379 PolarHBondContact O-N 2.8Å; R376-E380 IonicContact CZ-OE2 2.68Å; R376-E380 IonicContact NH1-OE2 3.8Å; R376-E380 PolarHBondContact NH1-OE2 3.29Å; R376-E380 WeakPolarHBondContact O-CB 3.47Å; R376-E380 PolarHBondContact O-N 3.07Å
377I98.3Very high96.4Very high0 Ų070.1 Ų70.10%037%0.368CS..Hα-helixtrans-61.5-44.8-179.5-70.2170.6000110.5F355 A358 Y362 E373 S374 E380 Y381 F412F355-I377 HydrophobicContact CD2-CG2 4.19Å; F355-I377 HydrophobicContact CE2-CG2 3.87Å; A358-I377 HydrophobicContact CB-CD1 4.19Å; A358-I377 HydrophobicContact CB-CG1 4.14Å; Y362-I377 HydrophobicContact CD2-CD1 4.26Å; Y362-I377 HydrophobicContact CG-CD1 3.99Å; E373-I377 WeakPolarHBondContact O-CB 3.39Å; E373-I377 VanDerWaalsContact O-CG1 3.27Å; E373-I377 WeakPolarHBondContact O-CG1 3.03Å; E373-I377 PolarHBondContact O-N 3.36Å; S374-I377 PolarHBondContact O-N 3.1Å; I377-E380 PolarHBondContact O-N 3.41Å; I377-Y381 HydrophobicContact CG2-CD2 4.21Å; I377-Y381 WeakPolarHBondContact O-CD2 3.44Å; I377-Y381 PolarHBondContact O-N 2.81Å; I377-F412 HydrophobicContact CB-CE2 4.04Å; I377-F412 HydrophobicContact CB-CZ 3.88Å; I377-F412 HydrophobicContact CD1-CD2 4.5Å; I377-F412 HydrophobicContact CD1-CE2 4.12Å; I377-F412 HydrophobicContact CG2-CD1 4.26Å; I377-F412 HydrophobicContact CG2-CD2 4.26Å; I377-F412 HydrophobicContact CG2-CE1 3.9Å; I377-F412 HydrophobicContact CG2-CE2 3.89Å; I377-F412 HydrophobicContact CG2-CG 4.43Å; I377-F412 HydrophobicContact CG2-CZ 3.7Å
378Y97.8Very high96.4Very high60 Ų6064.8 Ų64.824%0.23534%0.342CS..Iπ-helixtrans-59.7-49.3176.3-176.8-92000111.8S374 R376 E380 L382 A383 M397 I400 E401 L404S374-Y378 WeakPolarHBondContact O-CB 3.35Å; S374-Y378 PolarHBondContact O-N 3.31Å; R376-Y378 VanDerWaalsContact C-N 3.34Å; R376-Y378 PolarHBondContact O-N 3.44Å; Y378-E380 VanDerWaalsContact C-N 3.32Å; Y378-E380 PolarHBondContact O-N 3.34Å; Y378-L382 HydrophobicContact CD2-CB 3.88Å; Y378-L382 HydrophobicContact CD2-CD1 4.01Å; Y378-L382 HydrophobicContact CE2-CB 4.14Å; Y378-L382 HydrophobicContact CG-CB 4.43Å; Y378-L382 CarbonylContact O-C 3.57Å; Y378-L382 WeakPolarHBondContact O-CA 3.48Å; Y378-L382 PolarHBondContact O-N 2.86Å; Y378-A383 HydrophobicContact CE1-CB 4.31Å; Y378-A383 PolarHBondContact O-N 3.21Å; Y378-M397 HydrophobicContact CE2-CE 4.09Å; Y378-I400 HydrophobicContact CD2-CG2 4.31Å; Y378-E401 HydrophobicContact CE2-CG 4.06Å; Y378-E401 PolarHBondContact OH-OE1 3.41Å; Y378-E401 VanDerWaalsContact OH-OE1 3.07Å; Y378-L404 HydrophobicContact CD2-CD1 3.33Å; Y378-L404 HydrophobicContact CE2-CD1 4.04Å; Y378-L404 HydrophobicContact CG-CD1 3.72Å
379A97.6Very high96.3Very high55 Ų5564.5 Ų64.546%0.45533%0.329SS..Iπ-helixtrans-64.4-33.5-178.500000113.6K375 R376 G386K375-A379 VanDerWaalsContact O-CB 3.29Å; K375-A379 WeakPolarHBondContact O-CB 3.42Å; K375-A379 PolarHBondContact O-N 2.87Å; R376-A379 PolarHBondContact O-N 2.8Å; A379-G386 WeakPolarHBondContact O-CA 3.5Å
380E98.2Very high96.3Very high49 Ų4961.7 Ų61.723%0.22932%0.315CS..Iπ-helixtrans-82.9-42.5-176.9-173.1176.7154.500112.8R376 I377 Y378 G386 S388R376-E380 IonicContact CZ-OE2 2.68Å; R376-E380 IonicContact NH1-OE2 3.8Å; R376-E380 PolarHBondContact NH1-OE2 3.29Å; R376-E380 WeakPolarHBondContact O-CB 3.47Å; R376-E380 PolarHBondContact O-N 3.07Å; I377-E380 PolarHBondContact O-N 3.41Å; Y378-E380 VanDerWaalsContact C-N 3.32Å; Y378-E380 PolarHBondContact O-N 3.34Å; E380-G386 CarbonylContact O-C 3.13Å; E380-G386 WeakPolarHBondContact O-CA 3.05Å; E380-S388 CarbonylContact O-C 3.58Å; E380-S388 PolarHBondContact O-N 3.16Å; E380-S388 VanDerWaalsContact O-N 3.09Å
381Y98.2Very high96.1Very high10 Ų1067.4 Ų67.44%0.03935%0.346CS..Iπ-helixtrans-112.1-24.3-168.5-61.3-81.2000115R354 F355 A358 I377 S388 E389 I390R354-Y381 HydrophobicContact CB-CE1 3.99Å; F355-Y381 HydrophobicContact CB-CD1 3.68Å; F355-Y381 HydrophobicContact CB-CE1 4Å; F355-Y381 HydrophobicContact CB-CG 4.03Å; F355-Y381 HydrophobicContact CD2-CD1 4.28Å; F355-Y381 HydrophobicContact CD2-CD2 4.07Å; F355-Y381 AromaticContact CD2-CG 3.75Å; F355-Y381 HydrophobicContact CD2-CG 3.75Å; F355-Y381 HydrophobicContact CG-CD1 4.46Å; F355-Y381 HydrophobicContact CG-CG 4.36Å; A358-Y381 HydrophobicContact CB-CE2 4.07Å; I377-Y381 HydrophobicContact CG2-CD2 4.21Å; I377-Y381 WeakPolarHBondContact O-CD2 3.44Å; I377-Y381 PolarHBondContact O-N 2.81Å; Y381-S388 WeakPolarHBondContact CD1-O 3.31Å; Y381-E389 CarbonylContact O-C 3.55Å; Y381-E389 WeakPolarHBondContact O-CA 3.42Å; Y381-I390 HydrophobicContact CD1-CG2 4.02Å; Y381-I390 WeakPolarHBondContact O-CG1 3.48Å; Y381-I390 PolarHBondContact O-N 3.48Å
382L97Very high96Very high6 Ų662.4 Ų62.43%0.03132%0.324CS..Iπ-helixtrans-117.1-22.1-171.2-61.7175.4000113.8Y378 I390 V392 M397 I400 F412Y378-L382 HydrophobicContact CD2-CB 3.88Å; Y378-L382 HydrophobicContact CD2-CD1 4.01Å; Y378-L382 HydrophobicContact CE2-CB 4.14Å; Y378-L382 HydrophobicContact CG-CB 4.43Å; Y378-L382 CarbonylContact O-C 3.57Å; Y378-L382 WeakPolarHBondContact O-CA 3.48Å; Y378-L382 PolarHBondContact O-N 2.86Å; L382-I390 HydrophobicContact CD2-CD1 3.82Å; L382-I390 HydrophobicContact CD2-CG1 3.9Å; L382-V392 HydrophobicContact CD2-CG2 3.88Å; L382-M397 HydrophobicContact CB-CE 3.99Å; L382-M397 HydrophobicContact CB-SD 3.94Å; L382-M397 HydrophobicContact CD2-SD 3.86Å; L382-M397 HydrophobicContact CG-SD 4.32Å; L382-M397 VanDerWaalsContact O-CE 3.22Å; L382-M397 WeakPolarHBondContact O-CE 3.34Å; L382-I400 HydrophobicContact CD1-CD1 3.86Å; L382-I400 HydrophobicContact CD1-CG2 3.95Å; L382-F412 HydrophobicContact CD1-CD1 3.89Å; L382-F412 HydrophobicContact CD1-CE1 3.76Å
383A95Very high95.8Very high16 Ų1660.3 Ų60.313%0.13232%0.319CS..SBendtrans-72.9141.2174.200000110.8Y378 T385 G386Y378-A383 HydrophobicContact CE1-CB 4.31Å; Y378-A383 PolarHBondContact O-N 3.21Å; A383-T385 PolarHBondContact O-N 2.91Å; A383-G386 WeakPolarHBondContact O-CA 3.42Å; A383-G386 PolarHBondContact O-N 3.43Å
384K91.5Very high95.6Very high186 Ų18665 Ų6581%0.80935%0.346SS*.THydrogen-bonded Turntrans-59.4-12.6175.9-65.6-176.2177.71800115.2
385T92Very high95.5Very high136 Ų13672.9 Ų72.983%0.83438%0.376SS*.THydrogen-bonded Turntrans-110.710.8176.859.50000111.7A383A383-T385 PolarHBondContact O-N 2.91Å
386G92.2Very high95.3Very high15 Ų1567.6 Ų67.616%0.15535%0.354CS..  trans-68.6142.2-178.600000111.2A379 E380 A383 S388A379-G386 WeakPolarHBondContact O-CA 3.5Å; E380-G386 CarbonylContact O-C 3.13Å; E380-G386 WeakPolarHBondContact O-CA 3.05Å; A383-G386 WeakPolarHBondContact O-CA 3.42Å; A383-G386 PolarHBondContact O-N 3.43Å; G386-S388 PolarHBondContact O-N 3.48Å
387S94.2Very high95.2Very high106 Ų10664.5 Ų64.574%0.74134%0.344SS*.THydrogen-bonded Turntrans-68.1-14.6178.253.50000113.5
388S95.9Very high95.1Very high25 Ų2568.8 Ų68.818%0.17537%0.37CS..THydrogen-bonded Turntrans-144.245.2-177.3-61.30000110.2E380 Y381 G386 I390E380-S388 CarbonylContact O-C 3.58Å; E380-S388 PolarHBondContact O-N 3.16Å; E380-S388 VanDerWaalsContact O-N 3.09Å; Y381-S388 WeakPolarHBondContact CD1-O 3.31Å; G386-S388 PolarHBondContact O-N 3.48Å; S388-I390 PolarHBondContact O-N 3.39Å
389E95.8Very high95Very high99 Ų9967.7 Ų67.746%0.46337%0.37SS..PPolyproline II helixtrans-53125.7179.4-174.5-179.9-172.600111.3Y381Y381-E389 CarbonylContact O-C 3.55Å; Y381-E389 WeakPolarHBondContact O-CA 3.42Å
390I96.8Very high94.9Very high8 Ų865.1 Ų65.14%0.04135%0.348CS..PPolyproline II helixtrans-101151.1175.673.5-171000109.8E351 F355 Y381 L382 S388 V392 I419E351-I390 HydrophobicContact CB-CG2 4.29Å; E351-I390 HydrophobicContact CG-CG2 4.01Å; F355-I390 HydrophobicContact CB-CD1 4.07Å; F355-I390 HydrophobicContact CB-CG2 4.16Å; F355-I390 HydrophobicContact CD1-CD1 3.5Å; F355-I390 VanDerWaalsContact CD1-CD1 3.5Å; F355-I390 HydrophobicContact CD2-CD1 3.64Å; F355-I390 HydrophobicContact CE1-CD1 3.74Å; F355-I390 HydrophobicContact CE2-CD1 3.87Å; F355-I390 HydrophobicContact CG-CD1 3.43Å; F355-I390 VanDerWaalsContact CG-CD1 3.43Å; F355-I390 HydrophobicContact CZ-CD1 3.91Å; Y381-I390 HydrophobicContact CD1-CG2 4.02Å; Y381-I390 WeakPolarHBondContact O-CG1 3.48Å; Y381-I390 PolarHBondContact O-N 3.48Å; L382-I390 HydrophobicContact CD2-CD1 3.82Å; L382-I390 HydrophobicContact CD2-CG1 3.9Å; S388-I390 PolarHBondContact O-N 3.39Å; I390-V392 HydrophobicContact CD1-CG1 4.18Å; I390-V392 HydrophobicContact CG1-CG1 4.13Å; I390-I419 HydrophobicContact CB-CD1 4.21Å; I390-I419 HydrophobicContact CD1-CD1 3.94Å; I390-I419 HydrophobicContact CD1-CG1 3.85Å; I390-I419 HydrophobicContact CG1-CD1 4.17Å
391N93.7Very high94.9Very high134 Ų13467.3 Ų67.372%0.71736%0.358SS*.PPolyproline II helixtrans-86.9118.2176-170.611000110.6
392V94.4Very high94.8Very high12 Ų1272 Ų727%0.07338%0.381CS..  trans-135149.8174.6-74.10000110.2L382 I390 M397 A415 I419L382-V392 HydrophobicContact CD2-CG2 3.88Å; I390-V392 HydrophobicContact CD1-CG1 4.18Å; I390-V392 HydrophobicContact CG1-CG1 4.13Å; V392-M397 HydrophobicContact CG2-CG 3.63Å; V392-M397 HydrophobicContact CG2-SD 3.56Å; V392-M397 VanDerWaalsContact CG2-SD 3.56Å; V392-A415 HydrophobicContact CG1-CB 4.18Å; V392-I419 HydrophobicContact CG1-CD1 3.91Å; V392-I419 HydrophobicContact CG1-CG1 4.07Å
393D92.6Very high94.7Very high96 Ų9674.8 Ų74.851%0.51340%0.395SS..  trans-58.9141.9178.7-66.1-33000112Y395 I396 M397 H418D393-Y395 PolarHBondContact O-N 3.35Å; D393-I396 HydrophobicContact CB-CD1 4.27Å; D393-I396 HydrophobicContact CB-CG1 4.34Å; D393-I396 WeakPolarHBondContact O-CB 3.27Å; D393-I396 PolarHBondContact O-N 3.04Å; D393-M397 PolarHBondContact O-N 2.9Å; D393-H418 IonicContact OD2-CE1 2.76Å; D393-H418 IonicContact OD2-ND1 3.79Å
394N93.3Very high94.8Very high137 Ų13775.7 Ų75.773%0.73340%0.398SS*.Hα-helixtrans-53.4-34.3-179.9-75.2-33.9000113.1M397 T398N394-M397 WeakPolarHBondContact O-CB 3.41Å; N394-M397 PolarHBondContact O-N 3.34Å; N394-T398 PolarHBondContact O-N 3.25Å; N394-T398 PolarHBondContact O-OG1 3Å; N394-T398 VanDerWaalsContact O-OG1 3.1Å
395Y95.5Very high95Very high165 Ų16574 Ų7465%0.64739%0.39SS*.Hα-helixtrans-59.8-45.6175.2169.9-103.8000112.1D393 M397 T398 V399 L414D393-Y395 PolarHBondContact O-N 3.35Å; Y395-M397 VanDerWaalsContact C-N 3.31Å; Y395-M397 PolarHBondContact O-N 2.99Å; Y395-T398 PolarHBondContact O-N 3.41Å; Y395-V399 HydrophobicContact CD2-CG2 4.45Å; Y395-V399 HydrophobicContact CE1-CG2 4.21Å; Y395-V399 HydrophobicContact CE2-CG2 3.96Å; Y395-V399 WeakPolarHBondContact O-CG2 3.39Å; Y395-V399 PolarHBondContact O-N 3.34Å; Y395-V399 VanDerWaalsContact O-N 3.09Å; Y395-L414 HydrophobicContact CE1-CD1 4.45Å
396I94.8Very high95.2Very high12 Ų1273.8 Ų73.86%0.06238%0.384CS..Hα-helixtrans-62.7-42.9178.6-62.1174.9000109.6D393 T398 V399 I400 L414 A415 H418D393-I396 HydrophobicContact CB-CD1 4.27Å; D393-I396 HydrophobicContact CB-CG1 4.34Å; D393-I396 WeakPolarHBondContact O-CB 3.27Å; D393-I396 PolarHBondContact O-N 3.04Å; I396-T398 PolarHBondContact O-N 2.7Å; I396-V399 PolarHBondContact O-N 3.37Å; I396-I400 HydrophobicContact CG2-CD1 3.71Å; I396-I400 HydrophobicContact CG2-CG1 4.38Å; I396-I400 VanDerWaalsContact O-CG1 3.3Å; I396-I400 WeakPolarHBondContact O-CG1 3.14Å; I396-I400 PolarHBondContact O-N 2.91Å; I396-L414 HydrophobicContact CG1-CB 4.47Å; I396-L414 HydrophobicContact CG2-CB 4.03Å; I396-A415 HydrophobicContact CG2-CB 3.77Å; I396-H418 HydrophobicContact CD1-CB 3.63Å
397M95.2Very high95.4Very high27 Ų2774.5 Ų74.513%0.13339%0.386CS..Hα-helixtrans-57.7-48.9175.9-75.5-61.7-6700112.3Y378 L382 V392 D393 N394 Y395 V399 I400 E401Y378-M397 HydrophobicContact CE2-CE 4.09Å; L382-M397 HydrophobicContact CB-CE 3.99Å; L382-M397 HydrophobicContact CB-SD 3.94Å; L382-M397 HydrophobicContact CD2-SD 3.86Å; L382-M397 HydrophobicContact CG-SD 4.32Å; L382-M397 VanDerWaalsContact O-CE 3.22Å; L382-M397 WeakPolarHBondContact O-CE 3.34Å; V392-M397 HydrophobicContact CG2-CG 3.63Å; V392-M397 HydrophobicContact CG2-SD 3.56Å; V392-M397 VanDerWaalsContact CG2-SD 3.56Å; D393-M397 PolarHBondContact O-N 2.9Å; N394-M397 WeakPolarHBondContact O-CB 3.41Å; N394-M397 PolarHBondContact O-N 3.34Å; Y395-M397 VanDerWaalsContact C-N 3.31Å; Y395-M397 PolarHBondContact O-N 2.99Å; M397-V399 VanDerWaalsContact C-N 3.31Å; M397-V399 PolarHBondContact O-N 3.3Å; M397-I400 PolarHBondContact O-N 2.91Å; M397-E401 WeakPolarHBondContact O-CG 3.41Å; M397-E401 PolarHBondContact O-N 3.11Å
398T95.5Very high95.5Very high90 Ų9072 Ų7255%0.55236%0.364SS*.Hα-helixtrans-59.6-41.2178.1-57.20000112.2N394 Y395 I396 E402N394-T398 PolarHBondContact O-N 3.25Å; N394-T398 PolarHBondContact O-OG1 3Å; N394-T398 VanDerWaalsContact O-OG1 3.1Å; Y395-T398 PolarHBondContact O-N 3.41Å; I396-T398 PolarHBondContact O-N 2.7Å; T398-E402 PolarHBondContact O-N 2.96Å
399V95.9Very high95.5Very high38 Ų3872 Ų7223%0.2336%0.364CS..Hα-helixtrans-64.9-43.3177.2175.10000111.2Y395 I396 M397 E402 L403 L414Y395-V399 HydrophobicContact CD2-CG2 4.45Å; Y395-V399 HydrophobicContact CE1-CG2 4.21Å; Y395-V399 HydrophobicContact CE2-CG2 3.96Å; Y395-V399 WeakPolarHBondContact O-CG2 3.39Å; Y395-V399 PolarHBondContact O-N 3.34Å; Y395-V399 VanDerWaalsContact O-N 3.09Å; I396-V399 PolarHBondContact O-N 3.37Å; M397-V399 VanDerWaalsContact C-N 3.31Å; M397-V399 PolarHBondContact O-N 3.3Å; V399-E402 PolarHBondContact O-N 3.06Å; V399-L403 HydrophobicContact CG1-CD1 3.88Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 VanDerWaalsContact O-CG 3.32Å; V399-L403 WeakPolarHBondContact O-CG 3.47Å; V399-L403 PolarHBondContact O-N 3.3Å; V399-L414 HydrophobicContact CB-CD1 4.07Å; V399-L414 HydrophobicContact CG1-CD1 3.71Å; V399-L414 HydrophobicContact CG2-CD1 4.22Å
400I96.5Very high95.6Very high1 Ų172.7 Ų72.71%0.00537%0.366CS..Hα-helixtrans-63.2-47178.5-68.6169.1000110.9Y378 L382 I396 M397 E402 L403 L404 C411 F412 A415Y378-I400 HydrophobicContact CD2-CG2 4.31Å; L382-I400 HydrophobicContact CD1-CD1 3.86Å; L382-I400 HydrophobicContact CD1-CG2 3.95Å; I396-I400 HydrophobicContact CG2-CD1 3.71Å; I396-I400 HydrophobicContact CG2-CG1 4.38Å; I396-I400 VanDerWaalsContact O-CG1 3.3Å; I396-I400 WeakPolarHBondContact O-CG1 3.14Å; I396-I400 PolarHBondContact O-N 2.91Å; M397-I400 PolarHBondContact O-N 2.91Å; I400-E402 VanDerWaalsContact C-N 3.26Å; I400-E402 PolarHBondContact O-N 3.27Å; I400-L403 PolarHBondContact O-N 2.97Å; I400-L403 VanDerWaalsContact O-N 3.15Å; I400-L404 HydrophobicContact CG2-CD1 3.71Å; I400-L404 HydrophobicContact CG2-CG 4.03Å; I400-L404 WeakPolarHBondContact O-CB 3.36Å; I400-L404 VanDerWaalsContact O-CG 3.25Å; I400-L404 WeakPolarHBondContact O-CG 3.43Å; I400-L404 PolarHBondContact O-N 2.86Å; I400-C411 WeakPolarHBondContact CG1-O 3.44Å; I400-F412 HydrophobicContact CD1-CD1 4.31Å; I400-F412 HydrophobicContact CG2-CD1 4.03Å; I400-F412 HydrophobicContact CG2-CE1 3.86Å; I400-A415 HydrophobicContact CD1-CB 3.56Å
401E96.3Very high95.6Very high94 Ų9472.4 Ų72.444%0.43936%0.364SS..Hα-helixtrans-57.7-38.5178.3-73.6176.3165.500112.1Y378 M397Y378-E401 HydrophobicContact CE2-CG 4.06Å; Y378-E401 PolarHBondContact OH-OE1 3.41Å; Y378-E401 VanDerWaalsContact OH-OE1 3.07Å; M397-E401 WeakPolarHBondContact O-CG 3.41Å; M397-E401 PolarHBondContact O-N 3.11Å
402E96.4Very high95.8Very high110 Ų11066 Ų6651%0.51433%0.33SS..Hα-helixtrans-67.2-47174.4-169.162.6-143.100111.8T398 V399 I400 L404 K405T398-E402 PolarHBondContact O-N 2.96Å; V399-E402 PolarHBondContact O-N 3.06Å; I400-E402 VanDerWaalsContact C-N 3.26Å; I400-E402 PolarHBondContact O-N 3.27Å; E402-L404 VanDerWaalsContact C-N 3.25Å; E402-L404 PolarHBondContact O-N 3.09Å; E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 WeakPolarHBondContact O-CG 3.34Å; E402-K405 PolarHBondContact O-N 3.15Å; E402-K405 VanDerWaalsContact O-N 3.15Å; E402-K405 WeakPolarHBondContact OE1-CD 3.32Å; E402-K405 IonicContact OE1-NZ 2.61Å; E402-K405 PolarHBondContact OE1-NZ 3.33Å; E402-K405 VanDerWaalsContact OE2-CE 3.28Å; E402-K405 WeakPolarHBondContact OE2-CE 3.46Å; E402-K405 IonicContact OE2-NZ 3.47Å; E402-K405 PolarHBondContact OE2-NZ 3.37Å
403L95.5Very high95.9Very high63 Ų6367.9 Ų67.933%0.3334%0.34SS..Hα-helixtrans-63.3-31.8178.5-69172.7000112.2V399 I400 K405 N406 C411V399-L403 HydrophobicContact CG1-CD1 3.88Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 VanDerWaalsContact O-CG 3.32Å; V399-L403 WeakPolarHBondContact O-CG 3.47Å; V399-L403 PolarHBondContact O-N 3.3Å; I400-L403 PolarHBondContact O-N 2.97Å; I400-L403 VanDerWaalsContact O-N 3.15Å; L403-K405 PolarHBondContact O-N 2.95Å; L403-N406 CarbonylContact O-C 3.58Å; L403-N406 PolarHBondContact O-N 3.28Å; L403-N406 VanDerWaalsContact O-N 3.14Å; L403-N406 VanDerWaalsContact O-O 3.09Å; L403-C411 HydrophobicContact CB-CB 4.32Å
404L96.4Very high96.1Very high36 Ų3666.6 Ų66.619%0.18833%0.333CS..THydrogen-bonded Turntrans-71.7-9.7178-72.9177.9000113.9Y378 I400 E402 N406 P407 C411 F412Y378-L404 HydrophobicContact CD2-CD1 3.33Å; Y378-L404 HydrophobicContact CE2-CD1 4.04Å; Y378-L404 HydrophobicContact CG-CD1 3.72Å; I400-L404 HydrophobicContact CG2-CD1 3.71Å; I400-L404 HydrophobicContact CG2-CG 4.03Å; I400-L404 WeakPolarHBondContact O-CB 3.36Å; I400-L404 VanDerWaalsContact O-CG 3.25Å; I400-L404 WeakPolarHBondContact O-CG 3.43Å; I400-L404 PolarHBondContact O-N 2.86Å; E402-L404 VanDerWaalsContact C-N 3.25Å; E402-L404 PolarHBondContact O-N 3.09Å; L404-N406 PolarHBondContact O-N 3.15Å; L404-P407 HydrophobicContact CD2-CG 4.48Å; L404-P407 WeakPolarHBondContact O-CD 3.43Å; L404-P407 WeakPolarHBondContact O-CG 3.4Å; L404-C411 HydrophobicContact CD2-CB 4.32Å; L404-F412 HydrophobicContact CD2-CZ 4.1Å
405K96.3Very high96.2Very high149 Ų14960.1 Ų60.165%0.64830%0.298SS*.THydrogen-bonded Turntrans-65.7-29.3167.2-62.4-179.2-1711660112E402 L403E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 WeakPolarHBondContact O-CG 3.34Å; E402-K405 PolarHBondContact O-N 3.15Å; E402-K405 VanDerWaalsContact O-N 3.15Å; E402-K405 WeakPolarHBondContact OE1-CD 3.32Å; E402-K405 IonicContact OE1-NZ 2.61Å; E402-K405 PolarHBondContact OE1-NZ 3.33Å; E402-K405 VanDerWaalsContact OE2-CE 3.28Å; E402-K405 WeakPolarHBondContact OE2-CE 3.46Å; E402-K405 IonicContact OE2-NZ 3.47Å; E402-K405 PolarHBondContact OE2-NZ 3.37Å; L403-K405 PolarHBondContact O-N 2.95Å
406N95.8Very high96.3Very high132 Ų13253.9 Ų53.971%0.70628%0.275SS*.SBendtrans-139.679.2172.7-171.618.4000110.2L403 L404 N408L403-N406 CarbonylContact O-C 3.58Å; L403-N406 PolarHBondContact O-N 3.28Å; L403-N406 VanDerWaalsContact O-N 3.14Å; L403-N406 VanDerWaalsContact O-O 3.09Å; L404-N406 PolarHBondContact O-N 3.15Å; N406-N408 PolarHBondContact O-N 3.33Å
407P96.6Very high96.4Very high31 Ų3159 Ų5920%0.20130%0.298CS..  trans-58.2135.9-170.3-25.834.9000113.5I370 L404I370-P407 HydrophobicContact CG2-CB 3.84Å; I370-P407 WeakPolarHBondContact CG2-O 3.2Å; L404-P407 HydrophobicContact CD2-CG 4.48Å; L404-P407 WeakPolarHBondContact O-CD 3.43Å; L404-P407 WeakPolarHBondContact O-CG 3.4Å
408N96.2Very high96.4Very high52 Ų5260.5 Ų60.528%0.27831%0.305SS..  trans-141166.4175.56767.1000110Y362 N406 F410 C411Y362-N408 WeakPolarHBondContact CE1-O 3.46Å; Y362-N408 PolarHBondContact OH-O 3.06Å; N406-N408 PolarHBondContact O-N 3.33Å; N408-F410 PolarHBondContact O-N 2.82Å; N408-F410 WeakPolarHBondContact OD1-CA 3.18Å; N408-F410 WeakPolarHBondContact OD1-CB 3.39Å; N408-F410 PolarHBondContact OD1-N 3.3Å; N408-C411 PolarHBondContact N-SG 2.85Å; N408-C411 PolarHBondContact O-N 2.81Å; N408-C411 VanDerWaalsContact O-N 3.16Å; N408-C411 PolarHBondContact O-SG 2.7Å
409P97.2Very high96.5Very high26 Ų2656.2 Ų56.217%0.16928%0.279CS..THydrogen-bonded Turntrans-56.7-12.7-175.2-27.635.7000116.5K363 L367 I370K363-P409 HydrophobicContact CG-CB 4.45Å; K363-P409 WeakPolarHBondContact CG-O 3.31Å; L367-P409 HydrophobicContact CD2-CG 3.9Å; I370-P409 HydrophobicContact CD1-CB 4.27Å; I370-P409 HydrophobicContact CD1-CG 3.87Å
410F96.7Very high96.5Very high114 Ų11456.8 Ų56.850%0.528%0.277SS..THydrogen-bonded Turntrans-108.25.5-173.9-47.4-74000113.7N408 F412 D413N408-F410 PolarHBondContact O-N 2.82Å; N408-F410 WeakPolarHBondContact OD1-CA 3.18Å; N408-F410 WeakPolarHBondContact OD1-CB 3.39Å; N408-F410 PolarHBondContact OD1-N 3.3Å; F410-F412 PolarHBondContact O-N 2.86Å; F410-D413 PolarHBondContact O-N 2.61Å; F410-D413 VanDerWaalsContact O-N 3.13Å
411C97Very high96.4Very high2 Ų259.3 Ų59.31%0.01429%0.29CS..THydrogen-bonded Turntrans-51.2-34.6-177.9-73.80000114Y362 I400 L403 L404 N408Y362-C411 HydrophobicContact CE1-CB 4.44Å; I400-C411 WeakPolarHBondContact CG1-O 3.44Å; L403-C411 HydrophobicContact CB-CB 4.32Å; L404-C411 HydrophobicContact CD2-CB 4.32Å; N408-C411 PolarHBondContact N-SG 2.85Å; N408-C411 PolarHBondContact O-N 2.81Å; N408-C411 VanDerWaalsContact O-N 3.16Å; N408-C411 PolarHBondContact O-SG 2.7Å
412F97.9Very high96.4Very high0 Ų058.1 Ų58.10%029%0.287CS..THydrogen-bonded Turntrans-103.68.4-174-55.2-69.5000113.8F355 V359 Y362 I377 L382 I400 L404 F410 L414 A415 Q416F355-F412 HydrophobicContact CZ-CB 4.33Å; V359-F412 HydrophobicContact CB-CB 4.47Å; V359-F412 HydrophobicContact CG1-CB 3.86Å; V359-F412 HydrophobicContact CG2-CB 3.7Å; V359-F412 HydrophobicContact CG2-CD2 4.3Å; V359-F412 HydrophobicContact CG2-CG 4.11Å; Y362-F412 AromaticContact CD1-CD2 3.72Å; Y362-F412 HydrophobicContact CD1-CD2 3.72Å; Y362-F412 HydrophobicContact CD1-CE2 4.01Å; Y362-F412 HydrophobicContact CD2-CE2 4.47Å; Y362-F412 AromaticContact CE1-CD2 3.68Å; Y362-F412 HydrophobicContact CE1-CD2 3.68Å; Y362-F412 AromaticContact CE1-CE2 3.82Å; Y362-F412 HydrophobicContact CE1-CE2 3.82Å; Y362-F412 HydrophobicContact CE2-CE2 4.29Å; Y362-F412 HydrophobicContact CG-CD2 4.36Å; Y362-F412 HydrophobicContact CG-CE2 4.32Å; Y362-F412 AromaticContact CZ-CE2 3.95Å; I377-F412 HydrophobicContact CB-CE2 4.04Å; I377-F412 HydrophobicContact CB-CZ 3.88Å; I377-F412 HydrophobicContact CD1-CD2 4.5Å; I377-F412 HydrophobicContact CD1-CE2 4.12Å; I377-F412 HydrophobicContact CG2-CD1 4.26Å; I377-F412 HydrophobicContact CG2-CD2 4.26Å; I377-F412 HydrophobicContact CG2-CE1 3.9Å; I377-F412 HydrophobicContact CG2-CE2 3.89Å; I377-F412 HydrophobicContact CG2-CG 4.43Å; I377-F412 HydrophobicContact CG2-CZ 3.7Å; L382-F412 HydrophobicContact CD1-CD1 3.89Å; L382-F412 HydrophobicContact CD1-CE1 3.76Å; I400-F412 HydrophobicContact CD1-CD1 4.31Å; I400-F412 HydrophobicContact CG2-CD1 4.03Å; I400-F412 HydrophobicContact CG2-CE1 3.86Å; L404-F412 HydrophobicContact CD2-CZ 4.1Å; F410-F412 PolarHBondContact O-N 2.86Å; F412-L414 VanDerWaalsContact C-N 3.33Å; F412-L414 PolarHBondContact O-N 2.98Å; F412-A415 PolarHBondContact O-N 2.96Å; F412-Q416 VanDerWaalsContact O-CB 3.32Å; F412-Q416 WeakPolarHBondContact O-CB 3.01Å; F412-Q416 PolarHBondContact O-N 3.49Å
413D96.9Very high96.4Very high50 Ų5052.9 Ų52.927%0.26726%0.262SS..Hα-helixtrans-58.1-41.6-171.9-84.712.2000112.7K363 F410 Q416 E417K363-D413 IonicContact NZ-OD1 3.82Å; K363-D413 PolarHBondContact NZ-OD1 2.86Å; K363-D413 IonicContact NZ-OD2 3.51Å; K363-D413 PolarHBondContact NZ-OD2 3.2Å; F410-D413 PolarHBondContact O-N 2.61Å; F410-D413 VanDerWaalsContact O-N 3.13Å; D413-Q416 PolarHBondContact O-N 2.96Å; D413-E417 WeakPolarHBondContact O-CB 3.42Å; D413-E417 PolarHBondContact O-N 3.33Å
414L95.6Very high96.5Very high70 Ų7054.8 Ų54.837%0.36627%0.265SS..Hα-helixtrans-65.5-44.9177.3-68.7-179.9000112.6Y395 I396 V399 F412 E417 H418Y395-L414 HydrophobicContact CE1-CD1 4.45Å; I396-L414 HydrophobicContact CG1-CB 4.47Å; I396-L414 HydrophobicContact CG2-CB 4.03Å; V399-L414 HydrophobicContact CB-CD1 4.07Å; V399-L414 HydrophobicContact CG1-CD1 3.71Å; V399-L414 HydrophobicContact CG2-CD1 4.22Å; F412-L414 VanDerWaalsContact C-N 3.33Å; F412-L414 PolarHBondContact O-N 2.98Å; L414-E417 PolarHBondContact O-N 3.13Å; L414-H418 WeakPolarHBondContact O-CB 3Å; L414-H418 PolarHBondContact O-N 3.16Å
415A97Very high96.4Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-66.9-38.8175.700000111.4F355 V392 I396 I400 F412 E417 H418 I419F355-A415 HydrophobicContact CE1-CB 3.94Å; F355-A415 HydrophobicContact CZ-CB 3.64Å; V392-A415 HydrophobicContact CG1-CB 4.18Å; I396-A415 HydrophobicContact CG2-CB 3.77Å; I400-A415 HydrophobicContact CD1-CB 3.56Å; F412-A415 PolarHBondContact O-N 2.96Å; A415-E417 PolarHBondContact O-N 2.78Å; A415-H418 PolarHBondContact O-N 3.2Å; A415-I419 WeakPolarHBondContact O-CB 3.37Å; A415-I419 WeakPolarHBondContact O-CG1 3.4Å; A415-I419 PolarHBondContact O-N 3.47Å
416Q96.9Very high96.4Very high35 Ų3552.8 Ų52.816%0.16427%0.265CS..Hα-helixtrans-59.5-46.9175.6-171.5-175.422.300110.8L356 V359 F412 D413 Y420L356-Q416 HydrophobicContact CD2-CG 3.75Å; L356-Q416 WeakPolarHBondContact CD2-O 3.29Å; V359-Q416 HydrophobicContact CB-CG 4.48Å; V359-Q416 HydrophobicContact CG1-CB 4.04Å; V359-Q416 HydrophobicContact CG1-CG 4.07Å; F412-Q416 VanDerWaalsContact O-CB 3.32Å; F412-Q416 WeakPolarHBondContact O-CB 3.01Å; F412-Q416 PolarHBondContact O-N 3.49Å; D413-Q416 PolarHBondContact O-N 2.96Å; Q416-Y420 WeakPolarHBondContact O-CB 3.48Å; Q416-Y420 PolarHBondContact O-N 2.9Å
417E95.9Very high96.4Very high120 Ų12046.7 Ų46.756%0.56123%0.233SC*.Hα-helixtrans-63.9-44177.8-178.1173.6-167.900112D413 L414 A415 Y420 N421D413-E417 WeakPolarHBondContact O-CB 3.42Å; D413-E417 PolarHBondContact O-N 3.33Å; L414-E417 PolarHBondContact O-N 3.13Å; A415-E417 PolarHBondContact O-N 2.78Å; E417-Y420 PolarHBondContact O-N 3.36Å; E417-N421 WeakPolarHBondContact O-CB 3.19Å; E417-N421 PolarHBondContact O-N 3.34Å; E417-N421 PolarHBondContact O-ND2 3.18Å; E417-N421 VanDerWaalsContact O-ND2 3.11Å
418H96.1Very high96.4Very high58 Ų5846.2 Ų46.227%0.26923%0.227SC..Hα-helixtrans-58.8-53.2177.6-177.589.3000111.3D393 I396 L414 A415 N421 L422D393-H418 IonicContact OD2-CE1 2.76Å; D393-H418 IonicContact OD2-ND1 3.79Å; I396-H418 HydrophobicContact CD1-CB 3.63Å; L414-H418 WeakPolarHBondContact O-CB 3Å; L414-H418 PolarHBondContact O-N 3.16Å; A415-H418 PolarHBondContact O-N 3.2Å; H418-N421 PolarHBondContact O-N 2.95Å; H418-L422 PolarHBondContact O-N 2.95Å
419I97Very high96.4Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-68.9-37.7-178.8-61-69.1000111.3N352 F355 L356 I390 V392 A415 N421 L422 V423N352-I419 HydrophobicContact CB-CG2 3.78Å; N352-I419 WeakPolarHBondContact O-CG2 3.41Å; F355-I419 HydrophobicContact CD1-CB 4.15Å; F355-I419 HydrophobicContact CD1-CG1 4Å; F355-I419 HydrophobicContact CD1-CG2 4.17Å; F355-I419 HydrophobicContact CE1-CB 4.38Å; F355-I419 HydrophobicContact CE1-CG1 4.05Å; L356-I419 HydrophobicContact CD1-CG2 4.21Å; L356-I419 HydrophobicContact CD2-CB 4.12Å; L356-I419 HydrophobicContact CD2-CG2 4.05Å; L356-I419 HydrophobicContact CG-CG2 3.92Å; I390-I419 HydrophobicContact CB-CD1 4.21Å; I390-I419 HydrophobicContact CD1-CD1 3.94Å; I390-I419 HydrophobicContact CD1-CG1 3.85Å; I390-I419 HydrophobicContact CG1-CD1 4.17Å; V392-I419 HydrophobicContact CG1-CD1 3.91Å; V392-I419 HydrophobicContact CG1-CG1 4.07Å; A415-I419 WeakPolarHBondContact O-CB 3.37Å; A415-I419 WeakPolarHBondContact O-CG1 3.4Å; A415-I419 PolarHBondContact O-N 3.47Å; I419-N421 VanDerWaalsContact C-N 3.3Å; I419-N421 PolarHBondContact O-N 3.28Å; I419-L422 HydrophobicContact CD1-CD2 4.44Å; I419-L422 WeakPolarHBondContact O-CB 3.35Å; I419-L422 PolarHBondContact O-N 3.06Å; I419-V423 HydrophobicContact CG2-CG2 4.24Å; I419-V423 WeakPolarHBondContact O-CG2 3.35Å; I419-V423 PolarHBondContact O-N 2.71Å
420Y96.1Very high96.4Very high49 Ų4948 Ų4819%0.19223%0.232CC..Hα-helixtrans-59-44.5174.4176.4-85.4000110.7M327 N328 I331 Q416 E417 R424M327-Y420 HydrophobicContact CE-CD1 4.02Å; M327-Y420 HydrophobicContact CE-CD2 3.32Å; M327-Y420 HydrophobicContact CE-CE1 3.81Å; M327-Y420 HydrophobicContact CE-CE2 3.09Å; M327-Y420 HydrophobicContact CE-CG 3.78Å; M327-Y420 WeakPolarHBondContact CE-O 3.47Å; N328-Y420 PolarHBondContact ND2-OH 3Å; N328-Y420 PolarHBondContact OD1-OH 2.89Å; I331-Y420 HydrophobicContact CD1-CD2 4.37Å; I331-Y420 HydrophobicContact CD1-CE2 3.75Å; Q416-Y420 WeakPolarHBondContact O-CB 3.48Å; Q416-Y420 PolarHBondContact O-N 2.9Å; E417-Y420 PolarHBondContact O-N 3.36Å; Y420-R424 WeakPolarHBondContact O-CB 3.37Å; Y420-R424 PolarHBondContact O-N 2.78Å
421N95.8Very high96.4Very high55 Ų5542.7 Ų42.729%0.29421%0.208SC..Hα-helixtrans-65.5-42.2177.1-81.7-48.8000112.2E417 H418 I419 R424 T425E417-N421 WeakPolarHBondContact O-CB 3.19Å; E417-N421 PolarHBondContact O-N 3.34Å; E417-N421 PolarHBondContact O-ND2 3.18Å; E417-N421 VanDerWaalsContact O-ND2 3.11Å; H418-N421 PolarHBondContact O-N 2.95Å; I419-N421 VanDerWaalsContact C-N 3.3Å; I419-N421 PolarHBondContact O-N 3.28Å; N421-R424 PolarHBondContact O-N 3.49Å; N421-R424 PolarHBondContact OD1-NE 2.98Å; N421-R424 PolarHBondContact OD1-NH2 3.38Å; N421-T425 PolarHBondContact O-N 3.35Å; N421-T425 PolarHBondContact O-OG1 3.3Å
422L95.7Very high96.4Very high69 Ų6944.2 Ų44.236%0.36122%0.216SC..Hα-helixtrans-56-55.1174.8177.463.1000111.4H418 I419 R424 T425 D426H418-L422 PolarHBondContact O-N 2.95Å; I419-L422 HydrophobicContact CD1-CD2 4.44Å; I419-L422 WeakPolarHBondContact O-CB 3.35Å; I419-L422 PolarHBondContact O-N 3.06Å; L422-R424 VanDerWaalsContact C-N 3.29Å; L422-R424 PolarHBondContact O-N 3.17Å; L422-T425 PolarHBondContact O-N 2.94Å; L422-T425 PolarHBondContact O-OG1 3.04Å; L422-D426 WeakPolarHBondContact O-CB 3.48Å; L422-D426 PolarHBondContact O-N 3.21Å
423V96.5Very high96.3Very high0 Ų053.2 Ų53.20%025%0.25CS..Hα-helixtrans-59.8-41.2178.6176.90000110.6M327 L340 M344 N352 L356 I419 S427 Y428M327-V423 HydrophobicContact SD-CB 4.3Å; M327-V423 HydrophobicContact SD-CG1 3.77Å; L340-V423 HydrophobicContact CD2-CG1 4.45Å; M344-V423 HydrophobicContact CE-CG1 4.23Å; M344-V423 HydrophobicContact CE-CG2 3.92Å; M344-V423 HydrophobicContact SD-CG1 4Å; N352-V423 HydrophobicContact CB-CG2 3.84Å; L356-V423 HydrophobicContact CD1-CB 4.45Å; L356-V423 HydrophobicContact CD1-CG2 4.16Å; I419-V423 HydrophobicContact CG2-CG2 4.24Å; I419-V423 WeakPolarHBondContact O-CG2 3.35Å; I419-V423 PolarHBondContact O-N 2.71Å; V423-S427 PolarHBondContact O-N 3.46Å; V423-Y428 VanDerWaalsContact O-CB 3.29Å; V423-Y428 WeakPolarHBondContact O-CB 3.43Å; V423-Y428 PolarHBondContact O-N 3.11Å
424R96.1Very high96.2Very high102 Ų10251.6 Ų51.639%0.38524%0.243SC..Hα-helixtrans-63.1-45.1179.2-174.3-175.859.8701.5112.8M327 Y420 N421 L422M327-R424 HydrophobicContact CE-CB 3.66Å; M327-R424 HydrophobicContact CE-CG 4.33Å; M327-R424 WeakPolarHBondContact SD-CA 3.25Å; M327-R424 HydrophobicContact SD-CB 3.81Å; M327-R424 HydrophobicContact SD-CG 4.39Å; Y420-R424 WeakPolarHBondContact O-CB 3.37Å; Y420-R424 PolarHBondContact O-N 2.78Å; N421-R424 PolarHBondContact O-N 3.49Å; N421-R424 PolarHBondContact OD1-NE 2.98Å; N421-R424 PolarHBondContact OD1-NH2 3.38Å; L422-R424 VanDerWaalsContact C-N 3.29Å; L422-R424 PolarHBondContact O-N 3.17Å
425T95Very high96Very high82 Ų8252.4 Ų52.450%0.50325%0.254SS..Hα-helixtrans-82.1-25.9-174.451.10000113.4N421 L422N421-T425 PolarHBondContact O-N 3.35Å; N421-T425 PolarHBondContact O-OG1 3.3Å; L422-T425 PolarHBondContact O-N 2.94Å; L422-T425 PolarHBondContact O-OG1 3.04Å
426D95.9Very high95.7Very high62 Ų6254.1 Ų54.133%0.33226%0.263SS..THydrogen-bonded Turntrans-112.2-79.3-176.3-177.740.2000112.4L422 Y428 A429 R430L422-D426 WeakPolarHBondContact O-CB 3.48Å; L422-D426 PolarHBondContact O-N 3.21Å; D426-Y428 PolarHBondContact O-N 2.98Å; D426-A429 PolarHBondContact O-N 3.38Å; D426-A429 VanDerWaalsContact O-N 3.13Å; D426-R430 PolarHBondContact O-N 2.97Å; D426-R430 IonicContact OD1-CZ 3.36Å; D426-R430 IonicContact OD1-NE 2.73Å; D426-R430 PolarHBondContact OD1-NE 3.43Å; D426-R430 IonicContact OD1-NH2 3.11Å; D426-R430 PolarHBondContact OD1-NH2 2.87Å; D426-R430 IonicContact OD2-CZ 3.5Å; D426-R430 IonicContact OD2-NE 2.75Å; D426-R430 IonicContact OD2-NH2 3.39Å; D426-R430 PolarHBondContact OD2-NH2 2.96Å
427S96.5Very high95.5Very high4 Ų453.2 Ų53.23%0.02826%0.259CS..Hα-helixtrans-58.4-45.9-172-48.50000113.5F343 V423 R430 F431F343-S427 WeakPolarHBondContact CE1-O 3.46Å; V423-S427 PolarHBondContact O-N 3.46Å; S427-R430 PolarHBondContact O-N 2.69Å; S427-F431 WeakPolarHBondContact O-CB 3.32Å; S427-F431 PolarHBondContact O-N 3.3Å
428Y96.9Very high95.4Very high20 Ų2051.5 Ų51.58%0.07825%0.252CS..Hα-helixtrans-64.9-41.8177.2170.3-106000111.8W323 S326 M327 L330 V423 D426 R430 F431 L432W323-Y428 WeakPolarHBondContact O-CE2 3.4Å; W323-Y428 PolarHBondContact O-OH 3.1Å; S326-Y428 WeakPolarHBondContact CA-OH 3.3Å; S326-Y428 PolarHBondContact N-OH 3Å; M327-Y428 HydrophobicContact CB-CD1 3.92Å; M327-Y428 HydrophobicContact CB-CD2 3.86Å; M327-Y428 HydrophobicContact CB-CE1 4.02Å; M327-Y428 HydrophobicContact CB-CE2 3.94Å; M327-Y428 HydrophobicContact CB-CG 3.83Å; M327-Y428 HydrophobicContact CG-CD1 4.46Å; M327-Y428 HydrophobicContact CG-CD2 3.84Å; M327-Y428 HydrophobicContact CG-CE2 4.34Å; M327-Y428 HydrophobicContact CG-CG 3.9Å; M327-Y428 VanDerWaalsContact N-CZ 3.27Å; M327-Y428 PolarHBondContact N-OH 3.09Å; M327-Y428 HydrophobicContact SD-CG 4.1Å; L330-Y428 HydrophobicContact CB-CE2 4.43Å; L330-Y428 HydrophobicContact CD1-CD2 3.96Å; L330-Y428 HydrophobicContact CD1-CE2 3.89Å; V423-Y428 VanDerWaalsContact O-CB 3.29Å; V423-Y428 WeakPolarHBondContact O-CB 3.43Å; V423-Y428 PolarHBondContact O-N 3.11Å; D426-Y428 PolarHBondContact O-N 2.98Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.5Å; Y428-F431 PolarHBondContact O-N 3.47Å; Y428-L432 HydrophobicContact CD2-CG 4.43Å; Y428-L432 HydrophobicContact CE1-CD1 3.79Å; Y428-L432 HydrophobicContact CE1-CG 4.42Å; Y428-L432 HydrophobicContact CE2-CD1 4.08Å; Y428-L432 HydrophobicContact CE2-CD2 4.03Å; Y428-L432 HydrophobicContact CE2-CG 4.01Å; Y428-L432 WeakPolarHBondContact O-CG 3.39Å; Y428-L432 PolarHBondContact O-N 2.85Å
429A96.2Very high95.2Very high25 Ų2551.9 Ų51.921%0.20726%0.258CS..Hα-helixtrans-64.8-34.7177.600000112.1D426D426-A429 PolarHBondContact O-N 3.38Å; D426-A429 VanDerWaalsContact O-N 3.13Å
430R97.1Very high94.9Very high92 Ų9252 Ų5235%0.34726%0.259SS..Hα-helixtrans-73.9-40.8172.4-70.4-168.3-82.2146.7-5112.2F343 E347 D426 S427 Y428 L432 R433 S434F343-R430 HydrophobicContact CE1-CB 4.11Å; F343-R430 HydrophobicContact CZ-CB 3.81Å; E347-R430 IonicContact OE1-CZ 2.7Å; E347-R430 IonicContact OE1-NH1 2.82Å; E347-R430 PolarHBondContact OE1-NH1 3.19Å; E347-R430 IonicContact OE2-CZ 3.93Å; E347-R430 IonicContact OE2-NE 2.81Å; E347-R430 IonicContact OE2-NH1 3.28Å; E347-R430 PolarHBondContact OE2-NH1 2.92Å; E347-R430 IonicContact OE2-NH2 3.66Å; D426-R430 PolarHBondContact O-N 2.97Å; D426-R430 IonicContact OD1-CZ 3.36Å; D426-R430 IonicContact OD1-NE 2.73Å; D426-R430 PolarHBondContact OD1-NE 3.43Å; D426-R430 IonicContact OD1-NH2 3.11Å; D426-R430 PolarHBondContact OD1-NH2 2.87Å; D426-R430 IonicContact OD2-CZ 3.5Å; D426-R430 IonicContact OD2-NE 2.75Å; D426-R430 IonicContact OD2-NH2 3.39Å; D426-R430 PolarHBondContact OD2-NH2 2.96Å; S427-R430 PolarHBondContact O-N 2.69Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.5Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.14Å; R430-R433 CarbonylContact O-C 3.32Å; R430-R433 PolarHBondContact O-N 3.3Å; R430-S434 PolarHBondContact O-N 3.23Å
431F97Very high94.7Very high1 Ų151 Ų510%0.00426%0.256CS..Hα-helixtrans-54.5-48.4175.5172.6-108.7000111.5L330 W339 L340 F343 S427 Y428 R433 S434 Y437L330-F431 HydrophobicContact CD1-CD1 3.69Å; L330-F431 HydrophobicContact CD1-CE1 3.43Å; L330-F431 VanDerWaalsContact CD1-CE1 3.43Å; L330-F431 HydrophobicContact CD1-CZ 4.41Å; W339-F431 HydrophobicContact CB-CE2 4.32Å; W339-F431 HydrophobicContact CB-CZ 4.12Å; L340-F431 HydrophobicContact CD1-CB 3.94Å; L340-F431 HydrophobicContact CD1-CD1 4.42Å; L340-F431 HydrophobicContact CD1-CG 4.04Å; F343-F431 HydrophobicContact CB-CD2 3.68Å; F343-F431 HydrophobicContact CB-CE2 4.27Å; F343-F431 HydrophobicContact CD1-CB 3.74Å; F343-F431 HydrophobicContact CD1-CD2 4.16Å; F343-F431 HydrophobicContact CD1-CG 4.42Å; F343-F431 HydrophobicContact CD2-CD2 4.11Å; F343-F431 HydrophobicContact CE1-CB 3.91Å; F343-F431 HydrophobicContact CG-CB 4.12Å; F343-F431 AromaticContact CG-CD2 3.7Å; F343-F431 HydrophobicContact CG-CD2 3.7Å; F343-F431 HydrophobicContact CG-CG 4.39Å; F343-F431 HydrophobicContact CZ-CB 4.43Å; S427-F431 WeakPolarHBondContact O-CB 3.32Å; S427-F431 PolarHBondContact O-N 3.3Å; Y428-F431 PolarHBondContact O-N 3.47Å; F431-R433 PolarHBondContact O-N 2.98Å; F431-R433 VanDerWaalsContact O-N 3.13Å; F431-S434 VanDerWaalsContact O-CB 3.26Å; F431-S434 WeakPolarHBondContact O-CB 3.41Å; F431-S434 PolarHBondContact O-N 3.34Å; F431-S434 PolarHBondContact O-OG 2.84Å; F431-Y437 HydrophobicContact CD1-CD2 4.31Å; F431-Y437 AromaticContact CE1-CD2 3.57Å; F431-Y437 HydrophobicContact CE1-CD2 3.57Å; F431-Y437 HydrophobicContact CE1-CE2 4.3Å; F431-Y437 HydrophobicContact CE1-CG 4.26Å; F431-Y437 AromaticContact CZ-CD2 3.83Å; F431-Y437 HydrophobicContact CZ-CD2 3.83Å; F431-Y437 HydrophobicContact CZ-CG 4.44Å; F431-Y437 WeakPolarHBondContact O-CB 3.46Å
432L96.3Very high94.4Very high35 Ų3552.4 Ų52.418%0.18326%0.264CS..THydrogen-bonded Turntrans-63.5-18.8178.5-66.4-172000114.4Y428 R430 Y437 M438Y428-L432 HydrophobicContact CD2-CG 4.43Å; Y428-L432 HydrophobicContact CE1-CD1 3.79Å; Y428-L432 HydrophobicContact CE1-CG 4.42Å; Y428-L432 HydrophobicContact CE2-CD1 4.08Å; Y428-L432 HydrophobicContact CE2-CD2 4.03Å; Y428-L432 HydrophobicContact CE2-CG 4.01Å; Y428-L432 WeakPolarHBondContact O-CG 3.39Å; Y428-L432 PolarHBondContact O-N 2.85Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.14Å; L432-Y437 HydrophobicContact CD2-CD1 4.27Å; L432-Y437 HydrophobicContact CD2-CD2 4.07Å; L432-Y437 HydrophobicContact CD2-CE1 3.95Å; L432-Y437 HydrophobicContact CD2-CE2 3.73Å; L432-Y437 HydrophobicContact CD2-CG 4.32Å; L432-Y437 VanDerWaalsContact O-CD1 3.26Å; L432-Y437 WeakPolarHBondContact O-CD1 3.38Å; L432-M438 WeakPolarHBondContact O-CE 3.42Å
433R95.3Very high94Very high188 Ų18850.6 Ų50.671%0.70926%0.255SS*.THydrogen-bonded Turntrans-100.1-7.3175.5-61.9179.6-169.4127.2-0.2113R430 F431R430-R433 CarbonylContact O-C 3.32Å; R430-R433 PolarHBondContact O-N 3.3Å; F431-R433 PolarHBondContact O-N 2.98Å; F431-R433 VanDerWaalsContact O-N 3.13Å
434S95.1Very high93.4Very high16 Ų1650.8 Ų50.811%0.11226%0.257CS..SBendtrans-68.4153.8-176.273.30000111.6R430 F431 D436 Y437 M438R430-S434 PolarHBondContact O-N 3.23Å; F431-S434 VanDerWaalsContact O-CB 3.26Å; F431-S434 WeakPolarHBondContact O-CB 3.41Å; F431-S434 PolarHBondContact O-N 3.34Å; F431-S434 PolarHBondContact O-OG 2.84Å; S434-D436 PolarHBondContact O-N 3.15Å; S434-Y437 PolarHBondContact O-N 2.96Å; S434-Y437 PolarHBondContact OG-N 3.02Å; S434-M438 WeakPolarHBondContact O-CG 3.41Å; S434-M438 PolarHBondContact O-N 3.46Å; S434-M438 VanDerWaalsContact O-N 3.1Å
435S92.7Very high92.9Very high88 Ų8849.4 Ų49.462%0.61526%0.255SS*.Hα-helixtrans-59.7-31.3171.754.20000112.2T439S435-T439 VanDerWaalsContact O-CB 3.27Å; S435-T439 PolarHBondContact O-N 3.28Å; S435-T439 PolarHBondContact O-OG1 3.41Å; S435-T439 WeakPolarHBondContact O-CB 3.45Å
436D89.3Confident92.3Very high35 Ų3551.8 Ų51.819%0.18726%0.259CS..Hα-helixtrans-62.7-55.6179.1-64.5-19.6000110.2K346 S434 M438 T439 L440K346-D436 VanDerWaalsContact NZ-CG 3.32Å; K346-D436 IonicContact NZ-OD1 3.6Å; K346-D436 PolarHBondContact NZ-OD1 3.31Å; K346-D436 IonicContact NZ-OD2 3.37Å; K346-D436 PolarHBondContact NZ-OD2 3.2Å; S434-D436 PolarHBondContact O-N 3.15Å; D436-M438 PolarHBondContact O-N 3.32Å; D436-T439 PolarHBondContact O-N 3.06Å; D436-L440 WeakPolarHBondContact O-CG 3.32Å; D436-L440 PolarHBondContact O-N 3.4Å
437Y93.6Very high91.3Very high16 Ų1650.8 Ų50.86%0.06326%0.259CS..Hα-helixtrans-62.5-42.3178.9178.9-97.9000112.3V320 W323 G324 F431 L432 S434 T439 L440 L441V320-Y437 HydrophobicContact CG1-CD2 4.18Å; V320-Y437 HydrophobicContact CG1-CE2 3.53Å; V320-Y437 PolarHBondContact O-OH 2.77Å; W323-Y437 HydrophobicContact CB-CE2 4.41Å; G324-Y437 WeakPolarHBondContact CA-OH 3.48Å; G324-Y437 PolarHBondContact N-OH 3.36Å; F431-Y437 HydrophobicContact CD1-CD2 4.31Å; F431-Y437 AromaticContact CE1-CD2 3.57Å; F431-Y437 HydrophobicContact CE1-CD2 3.57Å; F431-Y437 HydrophobicContact CE1-CE2 4.3Å; F431-Y437 HydrophobicContact CE1-CG 4.26Å; F431-Y437 AromaticContact CZ-CD2 3.83Å; F431-Y437 HydrophobicContact CZ-CD2 3.83Å; F431-Y437 HydrophobicContact CZ-CG 4.44Å; F431-Y437 WeakPolarHBondContact O-CB 3.46Å; L432-Y437 HydrophobicContact CD2-CD1 4.27Å; L432-Y437 HydrophobicContact CD2-CD2 4.07Å; L432-Y437 HydrophobicContact CD2-CE1 3.95Å; L432-Y437 HydrophobicContact CD2-CE2 3.73Å; L432-Y437 HydrophobicContact CD2-CG 4.32Å; L432-Y437 VanDerWaalsContact O-CD1 3.26Å; L432-Y437 WeakPolarHBondContact O-CD1 3.38Å; S434-Y437 PolarHBondContact O-N 2.96Å; S434-Y437 PolarHBondContact OG-N 3.02Å; Y437-T439 VanDerWaalsContact C-N 3.28Å; Y437-T439 PolarHBondContact O-N 2.89Å; Y437-L440 PolarHBondContact O-N 3.43Å; Y437-L441 HydrophobicContact CE1-CD2 4.33Å; Y437-L441 WeakPolarHBondContact O-CB 3.43Å; Y437-L441 PolarHBondContact O-N 3.23Å
438M93.3Very high90Very high84 Ų8453.5 Ų53.541%0.41428%0.278SS..Hα-helixtrans-62.6-36.3176.8-68-62178.800112.1L432 S434 D436 N442L432-M438 WeakPolarHBondContact O-CE 3.42Å; S434-M438 WeakPolarHBondContact O-CG 3.41Å; S434-M438 PolarHBondContact O-N 3.46Å; S434-M438 VanDerWaalsContact O-N 3.1Å; D436-M438 PolarHBondContact O-N 3.32Å; M438-N442 PolarHBondContact O-ND2 3.49Å; M438-N442 PolarHBondContact O-N 3.19Å; M438-N442 WeakPolarHBondContact O-CB 3.47Å
439T91.5Very high88.6Confident66 Ų6657 Ų5741%0.40531%0.306SS..Hα-helixtrans-67.5-44.5175.7-59.50000111.1S435 D436 Y437 L441 N442 N443S435-T439 VanDerWaalsContact O-CB 3.27Å; S435-T439 PolarHBondContact O-N 3.28Å; S435-T439 PolarHBondContact O-OG1 3.41Å; S435-T439 WeakPolarHBondContact O-CB 3.45Å; D436-T439 PolarHBondContact O-N 3.06Å; Y437-T439 VanDerWaalsContact C-N 3.28Å; Y437-T439 PolarHBondContact O-N 2.89Å; T439-L441 VanDerWaalsContact C-N 3.34Å; T439-L441 PolarHBondContact O-N 3.38Å; T439-N442 PolarHBondContact O-N 3.09Å; T439-N443 WeakPolarHBondContact O-CB 3.34Å; T439-N443 VanDerWaalsContact O-CG 3.24Å; T439-N443 PolarHBondContact O-N 3.21Å
440L91.4Very high86.7Confident3 Ų360.8 Ų60.82%0.01633%0.326CS..Hα-helixtrans-58.3-47.5175.1-67.1168.8000111.6Y314 P315 V320 W323 W339 D436 Y437 N442 N443 A444Y314-L440 HydrophobicContact CD1-CD2 3.71Å; Y314-L440 HydrophobicContact CE1-CD2 3.83Å; P315-L440 HydrophobicContact CG-CD2 4.19Å; V320-L440 HydrophobicContact CG1-CB 4.45Å; V320-L440 HydrophobicContact CG2-CB 4.32Å; W323-L440 HydrophobicContact CZ3-CD1 4.42Å; W339-L440 HydrophobicContact CD2-CD1 3.54Å; W339-L440 HydrophobicContact CD2-CD2 4.3Å; W339-L440 HydrophobicContact CD2-CG 4.48Å; W339-L440 HydrophobicContact CE3-CD1 3.64Å; W339-L440 HydrophobicContact CE3-CD2 4.47Å; W339-L440 HydrophobicContact CE3-CG 4.44Å; W339-L440 HydrophobicContact CG-CD1 4.01Å; W339-L440 HydrophobicContact CH2-CD1 4.2Å; W339-L440 HydrophobicContact CH2-CD2 3.52Å; W339-L440 HydrophobicContact CH2-CG 4.17Å; W339-L440 HydrophobicContact CZ2-CD1 4.15Å; W339-L440 HydrophobicContact CZ2-CD2 3.31Å; W339-L440 HydrophobicContact CZ2-CG 4.25Å; W339-L440 HydrophobicContact CZ3-CD1 3.95Å; W339-L440 HydrophobicContact CZ3-CD2 4.11Å; W339-L440 HydrophobicContact CZ3-CG 4.26Å; D436-L440 WeakPolarHBondContact O-CG 3.32Å; D436-L440 PolarHBondContact O-N 3.4Å; Y437-L440 PolarHBondContact O-N 3.43Å; L440-N442 PolarHBondContact O-N 3.04Å; L440-N443 PolarHBondContact O-N 3.01Å; L440-A444 VanDerWaalsContact O-CB 3.29Å; L440-A444 WeakPolarHBondContact O-CB 3.22Å; L440-A444 PolarHBondContact O-N 3.48Å
441L90.8Very high84.3Confident27 Ų2761 Ų6114%0.14134%0.341CS..Hα-helixtrans-62.4-45.5-179.9-176.962.5000111.6L317 V320 R321 Y437 T439 A444 M445L317-L441 HydrophobicContact CD1-CD1 4.17Å; V320-L441 HydrophobicContact CB-CD1 4.37Å; V320-L441 HydrophobicContact CG1-CB 3.84Å; V320-L441 HydrophobicContact CG1-CD1 3.84Å; V320-L441 HydrophobicContact CG1-CG 4.43Å; R321-L441 HydrophobicContact CG-CD1 3.98Å; Y437-L441 HydrophobicContact CE1-CD2 4.33Å; Y437-L441 WeakPolarHBondContact O-CB 3.43Å; Y437-L441 PolarHBondContact O-N 3.23Å; T439-L441 VanDerWaalsContact C-N 3.34Å; T439-L441 PolarHBondContact O-N 3.38Å; L441-A444 PolarHBondContact O-N 3.13Å; L441-M445 VanDerWaalsContact CG-CE 3.48Å; L441-M445 PolarHBondContact O-N 3.46Å; L441-M445 WeakPolarHBondContact O-CG 3.4Å; L441-M445 HydrophobicContact CD2-CE 3.83Å; L441-M445 HydrophobicContact CG-CE 3.48Å; L441-M445 HydrophobicContact CD1-CE 3.75Å
442N89.9Confident81.3Confident85 Ų8565.4 Ų65.446%0.45537%0.371SS..Hα-helixtrans-65.4-41.4178.2-75.7-34.9000112.4M438 T439 L440 M445 K446M438-N442 PolarHBondContact O-ND2 3.49Å; M438-N442 PolarHBondContact O-N 3.19Å; M438-N442 WeakPolarHBondContact O-CB 3.47Å; T439-N442 PolarHBondContact O-N 3.09Å; L440-N442 PolarHBondContact O-N 3.04Å; N442-M445 PolarHBondContact O-N 2.73Å; N442-K446 WeakPolarHBondContact O-CG 3.48Å; N442-K446 PolarHBondContact O-N 3.15Å
443N87.3Confident78.4Confident32 Ų3271.3 Ų71.317%0.17140%0.402CS..Hα-helixtrans-65.9-42.9177.5-72.9-8.9000111.1T439 L440 M445 K446 A447T439-N443 WeakPolarHBondContact O-CB 3.34Å; T439-N443 VanDerWaalsContact O-CG 3.24Å; T439-N443 PolarHBondContact O-N 3.21Å; L440-N443 PolarHBondContact O-N 3.01Å; N443-M445 VanDerWaalsContact C-N 3.35Å; N443-M445 PolarHBondContact O-N 2.92Å; N443-K446 PolarHBondContact O-N 3.18Å; N443-A447 PolarHBondContact O-N 3.37Å
444A85.1Confident75.4Confident4 Ų471.9 Ų71.93%0.03341%0.41CS..Hα-helixtrans-65.2-35.9176.800000112.6L317 V320 L440 L441 A447 S448L317-A444 HydrophobicContact CB-CB 4.06Å; L317-A444 HydrophobicContact CD1-CB 4.12Å; V320-A444 HydrophobicContact CG2-CB 4.3Å; L440-A444 VanDerWaalsContact O-CB 3.29Å; L440-A444 WeakPolarHBondContact O-CB 3.22Å; L440-A444 PolarHBondContact O-N 3.48Å; L441-A444 PolarHBondContact O-N 3.13Å; A444-A447 PolarHBondContact O-N 3.17Å; A444-S448 PolarHBondContact O-N 2.83Å; A444-S448 PolarHBondContact O-OG 2.82Å
445M84.1Confident72.4Confident72 Ų7276.4 Ų76.436%0.35544%0.437SS..Hα-helixtrans-67.2-35.9172.7-73.7-159.9-130.900113L317 L441 N442 N443 S448 S449L317-M445 HydrophobicContact CD1-CB 4.43Å; L317-M445 HydrophobicContact CD1-CG 3.51Å; L317-M445 HydrophobicContact CD2-CG 4.33Å; L441-M445 VanDerWaalsContact CG-CE 3.48Å; L441-M445 PolarHBondContact O-N 3.46Å; L441-M445 WeakPolarHBondContact O-CG 3.4Å; L441-M445 HydrophobicContact CD2-CE 3.83Å; L441-M445 HydrophobicContact CG-CE 3.48Å; L441-M445 HydrophobicContact CD1-CE 3.75Å; N442-M445 PolarHBondContact O-N 2.73Å; N443-M445 VanDerWaalsContact C-N 3.35Å; N443-M445 PolarHBondContact O-N 2.92Å; M445-S448 PolarHBondContact O-OG 3.1Å; M445-S448 VanDerWaalsContact O-OG 3.08Å; M445-S449 PolarHBondContact O-N 3.32Å; M445-S449 PolarHBondContact O-OG 3.01Å
446K82.7Confident69.5Low132 Ų13278 Ų7857%0.57444%0.438SS*.Hα-helixtrans-68.1-43.8173.5-71.7172.8-176.5176.80111.1N442 N443 S448 S449 T450N442-K446 WeakPolarHBondContact O-CG 3.48Å; N442-K446 PolarHBondContact O-N 3.15Å; N443-K446 PolarHBondContact O-N 3.18Å; K446-S448 VanDerWaalsContact C-N 3.35Å; K446-S448 PolarHBondContact O-N 2.97Å; K446-S449 WeakPolarHBondContact CA-OG 3.47Å; K446-S449 PolarHBondContact O-N 3.07Å; K446-S449 PolarHBondContact O-OG 2.92Å; K446-T450 WeakPolarHBondContact O-CB 3.28Å; K446-T450 PolarHBondContact O-N 3.09Å; K446-T450 PolarHBondContact O-OG1 3.38Å
447A75.3Confident66.7Low41 Ų4186.4 Ų86.434%0.33948%0.477SS..Hα-helixtrans-61-41.9178.100000112.3N443 A444 T450 S451N443-A447 PolarHBondContact O-N 3.37Å; A444-A447 PolarHBondContact O-N 3.17Å; A447-T450 PolarHBondContact O-N 2.77Å; A447-S451 PolarHBondContact O-N 3.41Å
448S70.2Confident63.7Low62 Ų6289.3 Ų89.343%0.43450%0.499SS..Hα-helixtrans-69.4-33.9178.970.90000113.6L317 A444 M445 K446L317-S448 VanDerWaalsContact CD2-OG 3.26Å; L317-S448 WeakPolarHBondContact CD2-OG 3.48Å; A444-S448 PolarHBondContact O-N 2.83Å; A444-S448 PolarHBondContact O-OG 2.82Å; M445-S448 PolarHBondContact O-OG 3.1Å; M445-S448 VanDerWaalsContact O-OG 3.08Å; K446-S448 VanDerWaalsContact C-N 3.35Å; K446-S448 PolarHBondContact O-N 2.97Å
449S66.6Low61Low94 Ų9493.1 Ų93.166%0.65752%0.519SS*.Hα-helixtrans-76-24.1175.749.20000113.2M445 K446 S451M445-S449 PolarHBondContact O-N 3.32Å; M445-S449 PolarHBondContact O-OG 3.01Å; K446-S449 WeakPolarHBondContact CA-OG 3.47Å; K446-S449 PolarHBondContact O-N 3.07Å; K446-S449 PolarHBondContact O-OG 2.92Å; S449-S451 VanDerWaalsContact C-N 3.33Å
450T57Low58.2Low103 Ų10399.2 Ų99.263%0.63254%0.54SS*.THydrogen-bonded Turntrans-93.816.5179.2-32.50000112.8K446 A447 P452K446-T450 WeakPolarHBondContact O-CB 3.28Å; K446-T450 PolarHBondContact O-N 3.09Å; K446-T450 PolarHBondContact O-OG1 3.38Å; A447-T450 PolarHBondContact O-N 2.77Å; T450-P452 WeakPolarHBondContact O-CD 3.45Å
451S46.2Very low55.3Low96 Ų96110.2 Ų110.267%0.67158%0.582SS**  trans-93.979.8163.1-78.20000110.2A447 S449A447-S451 PolarHBondContact O-N 3.41Å; S449-S451 VanDerWaalsContact C-N 3.33Å
452P34.7Very low52.8Low95 Ų95118.7 Ų118.762%0.61764%0.643SS**  trans-74.2138.3167.232.5-32.6000108.5T450 K454T450-P452 WeakPolarHBondContact O-CD 3.45Å; P452-K454 PolarHBondContact O-N 2.82Å
453N34.8Very low50.9Low159 Ų159120.4 Ų120.485%0.8565%0.652SS**  trans-29.494.2162.7-69.1-35.8000112.5V455N453-V455 VanDerWaalsContact C-N 3.29Å; N453-V455 PolarHBondContact O-N 2.88Å
454K31.3Very low49Very low200 Ų200125 Ų12587%0.8768%0.677SS**  trans-94.159.8163.1-82.6-171.3176.5178.10108.8P452P452-K454 PolarHBondContact O-N 2.82Å
455V33.6Very low47Very low111 Ų111131.7 Ų131.767%0.67371%0.713SS**SBendtrans-145.5110.7157.9-170.10000108.4N453N453-V455 VanDerWaalsContact C-N 3.29Å; N453-V455 PolarHBondContact O-N 2.88Å
456D31.3Very low44.8Very low122 Ų122135.2 Ų135.265%0.65273%0.734SS**  trans60.590.2158-71.2-39.8000122.1S458D456-S458 PolarHBondContact O-N 2.96Å; D456-S458 PolarHBondContact OD1-OG 2.61Å
457Q29.5Very low42.5Very low211 Ų211135.4 Ų135.499%0.98674%0.744SS**  trans-83.337.7142.5-74.3-170.7-7.600112.3
458S31.6Very low40.3Very low76 Ų76141.7 Ų141.753%0.53177%0.771SS.*  trans-116.228.9-174.172.60000114.9D456D456-S458 PolarHBondContact O-N 2.96Å; D456-S458 PolarHBondContact OD1-OG 2.61Å
459I35.5Very low38.2Very low164 Ų164147.4 Ų147.484%0.84180%0.796SS**  trans-132.576.4162.3-50.8179.3000109.8
460K32.4Very low36Very low194 Ų194151.5 Ų151.584%0.84381%0.806SS**  trans-99.3131.5152-90.7-177177.6174.60107.2
461R32.2Very low34.2Very low235 Ų235155.6 Ų155.689%0.88782%0.821SS**  trans91.292.5163-57.1172.6176.7-179.5-1.7116.6
462S37.5Very low33.1Very low204 Ų204161 Ų161100%1.42783%0.834SS**  -160.80119.4-65.70000108.1

Retrieved 462 of 462 residues in 217.4 ms (Link to these results)

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