G4LYN1_SCHMA Loading...

Neuroendocrine differentiation factor, putative

AlphaFold DB , UniProt , Accession G4LYN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M38.5Very low63.5Low234 Ų234143.4 Ų143.4100%1.15372%0.72SS**  099.90-154.3149.2-174.700107
2N57.2Low65.5Low166 Ų166136.8 Ų136.889%0.88869%0.693SS**  trans-108.2112.1178.6-74.918.5000108.1F4N2-F4 PolarHBondContact O-N 3.43Å
3L53.9Low67.2Low149 Ų149129.7 Ų129.778%0.7866%0.655SS**  trans-88.711.1-163.2-165.763.2000115.5
4F59.4Low68.8Low168 Ų168120.6 Ų120.674%0.73761%0.609SS**SBendtrans-142.4117.9176.6-72.5-82.7000110.4N2 R6N2-F4 PolarHBondContact O-N 3.43Å; F4-R6 PolarHBondContact O-N 3.44Å
5G56.4Low70.2Confident92 Ų92118.3 Ų118.395%0.94860%0.6SS**  trans-65.248.3-176.300000116.1K7G5-K7 PolarHBondContact O-N 3.03Å
6R56.4Low71.5Confident223 Ų223115.6 Ų115.684%0.84258%0.584SS**PPolyproline II helixtrans-73.5120.7166.4-59.7-169.7-167.2-1714.7107.7F4 K8F4-R6 PolarHBondContact O-N 3.44Å; R6-K8 PolarHBondContact O-N 2.97Å
7K62.3Low72.7Confident204 Ų204108.8 Ų108.889%0.88755%0.55SS*.PPolyproline II helixtrans-46.4132.4167.9-68.8179.9177.7179.70108.1G5 D9G5-K7 PolarHBondContact O-N 3.03Å; K7-D9 PolarHBondContact O-N 3.25Å
8K64.8Low73.9Confident126 Ų126103.2 Ų103.255%0.54852%0.522SS..PPolyproline II helixtrans-49.8136.1177.5-71.6-173.2-177.9-169.70108.9R6 E16R6-K8 PolarHBondContact O-N 2.97Å; K8-E16 IonicContact NZ-OE1 3.94Å; K8-E16 PolarHBondContact NZ-OE1 2.66Å; K8-E16 IonicContact NZ-OE2 3.84Å; K8-E16 PolarHBondContact NZ-OE2 3.25Å
9D82.2Confident74.9Confident83 Ų83100.4 Ų100.444%0.44451%0.513SS..PPolyproline II helixtrans-53.8130.9174.3162.367.1000109.8K7 K11 T12 H13K7-D9 PolarHBondContact O-N 3.25Å; D9-K11 PolarHBondContact O-N 3.26Å; D9-K11 VanDerWaalsContact OD2-CB 3.31Å; D9-K11 WeakPolarHBondContact OD2-CB 3.19Å; D9-K11 PolarHBondContact OD2-N 2.94Å; D9-T12 WeakPolarHBondContact O-CA 3.48Å; D9-T12 VanDerWaalsContact O-CB 3.29Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.21Å; D9-T12 PolarHBondContact OD2-N 2.74Å; D9-T12 PolarHBondContact OD2-OG1 3.36Å; D9-H13 PolarHBondContact O-N 3.14Å
10P82.3Confident75.9Confident56 Ų5698.1 Ų98.136%0.36450%0.503SS..Hα-helixtrans-54.7-36.6-175.4-29.535.8000114.1H13 L14 L98P10-H13 PolarHBondContact O-N 2.98Å; P10-L14 WeakPolarHBondContact O-CG 3.45Å; P10-L14 PolarHBondContact O-N 3.29Å; P10-L98 HydrophobicContact CB-CB 4.32Å; P10-L98 HydrophobicContact CB-CD1 4.14Å
11K85.5Confident76.7Confident76 Ų7693.4 Ų93.433%0.3348%0.479SS..Hα-helixtrans-64.6-44.1175.7-63.2-176.6173.1-172.10110.9D9 H13 L14 N15 A93 L98D9-K11 PolarHBondContact O-N 3.26Å; D9-K11 VanDerWaalsContact OD2-CB 3.31Å; D9-K11 WeakPolarHBondContact OD2-CB 3.19Å; D9-K11 PolarHBondContact OD2-N 2.94Å; K11-H13 VanDerWaalsContact C-N 3.28Å; K11-H13 PolarHBondContact O-N 3.14Å; K11-L14 PolarHBondContact O-N 3.02Å; K11-N15 WeakPolarHBondContact O-CB 3.29Å; K11-N15 VanDerWaalsContact O-CG 3.23Å; K11-N15 PolarHBondContact O-N 3.47Å; K11-N15 PolarHBondContact O-ND2 3.33Å; K11-A93 WeakPolarHBondContact CD-O 3.38Å; K11-A93 VanDerWaalsContact CE-O 3.27Å; K11-A93 WeakPolarHBondContact CE-O 3.38Å; K11-L98 HydrophobicContact CB-CD1 4.26Å; K11-L98 HydrophobicContact CD-CD1 4.27Å; K11-L98 HydrophobicContact CG-CD1 3.24Å
12T87.6Confident79.4Confident64 Ų6487 Ų8739%0.39345%0.445SS..Hα-helixtrans-58.6-42.3176-54.80000111.2D9 N15 E16D9-T12 WeakPolarHBondContact O-CA 3.48Å; D9-T12 VanDerWaalsContact O-CB 3.29Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.21Å; D9-T12 PolarHBondContact OD2-N 2.74Å; D9-T12 PolarHBondContact OD2-OG1 3.36Å; T12-N15 PolarHBondContact O-N 2.89Å; T12-E16 WeakPolarHBondContact O-CG 3.32Å; T12-E16 PolarHBondContact O-N 2.9Å
13H87.2Confident81.2Confident45 Ų4587 Ų8721%0.20843%0.433CS..Hα-helixtrans-64.7-44.4177.7-16943.9000112.9D9 P10 K11 N15 E16 M17 E131D9-H13 PolarHBondContact O-N 3.14Å; P10-H13 PolarHBondContact O-N 2.98Å; K11-H13 VanDerWaalsContact C-N 3.28Å; K11-H13 PolarHBondContact O-N 3.14Å; H13-N15 VanDerWaalsContact C-N 3.3Å; H13-N15 PolarHBondContact O-N 3.35Å; H13-E16 IonicContact ND1-OE2 2.66Å; H13-E16 WeakPolarHBondContact O-CB 3.15Å; H13-E16 PolarHBondContact O-N 3.33Å; H13-M17 WeakPolarHBondContact NE2-CE 3.48Å; H13-M17 WeakPolarHBondContact O-CG 3.42Å; H13-M17 PolarHBondContact O-N 2.93Å; H13-E131 IonicContact CE1-OE2 3.31Å
14L88.9Confident83.1Confident2 Ų281.7 Ų81.71%0.0140%0.404CS..Hα-helixtrans-62.3-36.9175.1-69.4170.4000112.6P10 K11 M17 T18 L89 M92 A93 L98 M102 I137P10-L14 WeakPolarHBondContact O-CG 3.45Å; P10-L14 PolarHBondContact O-N 3.29Å; K11-L14 PolarHBondContact O-N 3.02Å; L14-M17 HydrophobicContact CD2-SD 4.31Å; L14-T18 WeakPolarHBondContact O-CB 3.49Å; L14-T18 PolarHBondContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å; L14-L89 HydrophobicContact CD2-CD2 3.77Å; L14-M92 HydrophobicContact CD1-CB 3.94Å; L14-M92 HydrophobicContact CD2-CE 4.3Å; L14-A93 HydrophobicContact CB-CB 4.02Å; L14-A93 HydrophobicContact CD1-CB 4Å; L14-L98 HydrophobicContact CD1-CD1 4.06Å; L14-L98 HydrophobicContact CD1-CD2 3.51Å; L14-L98 HydrophobicContact CD1-CG 4.46Å; L14-M102 HydrophobicContact CD1-CE 4.2Å; L14-M102 HydrophobicContact CD2-CE 4.02Å; L14-I137 HydrophobicContact CD2-CD1 3.41Å; L14-I137 VanDerWaalsContact CD2-CD1 3.41Å; L14-I137 HydrophobicContact CD2-CG1 4.37Å
15N90Very high84.9Confident87 Ų8775.5 Ų75.547%0.46538%0.377SS..Hα-helixtrans-67.7-39.4175.9-72.8-28.8000111.9K11 T12 H13 T18 S19K11-N15 WeakPolarHBondContact O-CB 3.29Å; K11-N15 VanDerWaalsContact O-CG 3.23Å; K11-N15 PolarHBondContact O-N 3.47Å; K11-N15 PolarHBondContact O-ND2 3.33Å; T12-N15 PolarHBondContact O-N 2.89Å; H13-N15 VanDerWaalsContact C-N 3.3Å; H13-N15 PolarHBondContact O-N 3.35Å; N15-T18 PolarHBondContact O-N 3.31Å; N15-S19 WeakPolarHBondContact O-CB 3.48Å; N15-S19 PolarHBondContact O-N 2.89Å
16E92Very high86.8Confident74 Ų7478.9 Ų78.935%0.34636%0.362SS..Hα-helixtrans-60.9-50.3173.1-72.9174.9172.600111K8 T12 H13 T18 S19 V20K8-E16 IonicContact NZ-OE1 3.94Å; K8-E16 PolarHBondContact NZ-OE1 2.66Å; K8-E16 IonicContact NZ-OE2 3.84Å; K8-E16 PolarHBondContact NZ-OE2 3.25Å; T12-E16 WeakPolarHBondContact O-CG 3.32Å; T12-E16 PolarHBondContact O-N 2.9Å; H13-E16 IonicContact ND1-OE2 2.66Å; H13-E16 WeakPolarHBondContact O-CB 3.15Å; H13-E16 PolarHBondContact O-N 3.33Å; E16-T18 VanDerWaalsContact C-N 3.32Å; E16-T18 PolarHBondContact O-N 3.09Å; E16-S19 WeakPolarHBondContact O-CA 3.49Å; E16-S19 VanDerWaalsContact O-CB 3.31Å; E16-S19 WeakPolarHBondContact O-CB 3.37Å; E16-S19 PolarHBondContact O-N 2.86Å; E16-V20 WeakPolarHBondContact O-CG2 3.27Å; E16-V20 PolarHBondContact O-N 3.05Å
17M91.9Very high88.6Confident0 Ų070.9 Ų70.90%034%0.339CS..Hα-helixtrans-55.1-46.1175.4-71.9173.9164.900112.1H13 L14 S19 V20 L21 L89 L128 E131 M132 A135 I137H13-M17 WeakPolarHBondContact NE2-CE 3.48Å; H13-M17 WeakPolarHBondContact O-CG 3.42Å; H13-M17 PolarHBondContact O-N 2.93Å; L14-M17 HydrophobicContact CD2-SD 4.31Å; M17-S19 VanDerWaalsContact C-N 3.28Å; M17-S19 PolarHBondContact O-N 3.48Å; M17-V20 PolarHBondContact O-N 3.16Å; M17-L21 PolarHBondContact O-N 2.91Å; M17-L89 HydrophobicContact CB-CD1 3.65Å; M17-L89 HydrophobicContact SD-CD2 4.32Å; M17-L128 HydrophobicContact CB-CD1 3.71Å; M17-L128 HydrophobicContact CG-CD1 3.6Å; M17-L128 HydrophobicContact SD-CD1 4.4Å; M17-E131 VanDerWaalsContact CE-C 3.44Å; M17-E131 HydrophobicContact CE-CB 3.41Å; M17-E131 VanDerWaalsContact CE-CB 3.41Å; M17-M132 HydrophobicContact CE-CG 4.18Å; M17-M132 HydrophobicContact SD-CG 4.2Å; M17-A135 HydrophobicContact CE-CB 4.47Å; M17-I137 HydrophobicContact CE-CD1 4.38Å; M17-I137 HydrophobicContact SD-CD1 3.97Å
18T93Very high90.2Very high8 Ų861.1 Ų61.15%0.04930%0.297CS..Hα-helixtrans-60.8-38.6176.5-59.50000111.6L14 N15 E16 K22 A86 L89 R90L14-T18 WeakPolarHBondContact O-CB 3.49Å; L14-T18 PolarHBondContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å; N15-T18 PolarHBondContact O-N 3.31Å; E16-T18 VanDerWaalsContact C-N 3.32Å; E16-T18 PolarHBondContact O-N 3.09Å; T18-K22 WeakPolarHBondContact O-CG 3.48Å; T18-K22 PolarHBondContact O-N 3Å; T18-A86 HydrophobicContact CG2-CB 4.26Å; T18-L89 VanDerWaalsContact OG1-CB 3.29Å; T18-L89 WeakPolarHBondContact OG1-CB 3.4Å; T18-R90 HydrophobicContact CG2-CG 4.03Å
19S94.3Very high91.7Very high50 Ų5059.2 Ų59.235%0.3529%0.29SS..Hα-helixtrans-67.3-42.9178.3-166.90000111.6N15 E16 M17 L21 K22 R23N15-S19 WeakPolarHBondContact O-CB 3.48Å; N15-S19 PolarHBondContact O-N 2.89Å; E16-S19 WeakPolarHBondContact O-CA 3.49Å; E16-S19 VanDerWaalsContact O-CB 3.31Å; E16-S19 WeakPolarHBondContact O-CB 3.37Å; E16-S19 PolarHBondContact O-N 2.86Å; M17-S19 VanDerWaalsContact C-N 3.28Å; M17-S19 PolarHBondContact O-N 3.48Å; S19-L21 PolarHBondContact O-N 3.1Å; S19-K22 PolarHBondContact O-N 3.22Å; S19-R23 WeakPolarHBondContact O-CG 3.37Å; S19-R23 PolarHBondContact O-N 3.27Å
20V94.1Very high92.4Very high54 Ų5464.5 Ų64.533%0.32730%0.303SS..Hα-helixtrans-58.7-48.7174.9173.70000110.5E16 M17 K22 R23 Q24 T124E16-V20 WeakPolarHBondContact O-CG2 3.27Å; E16-V20 PolarHBondContact O-N 3.05Å; M17-V20 PolarHBondContact O-N 3.16Å; V20-K22 PolarHBondContact O-N 3.37Å; V20-R23 PolarHBondContact O-N 3.28Å; V20-Q24 PolarHBondContact O-N 3.47Å; V20-T124 HydrophobicContact CG1-CG2 3.75Å
21L93.2Very high93Very high0 Ų064.3 Ų64.30%030%0.299CS..Hα-helixtrans-56.8-49.4176.5-78.1175.1000112.7M17 S19 R23 Q24 I82 V85 A86 L89 M125 L128M17-L21 PolarHBondContact O-N 2.91Å; S19-L21 PolarHBondContact O-N 3.1Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.12Å; L21-Q24 WeakPolarHBondContact O-CB 3.29Å; L21-Q24 PolarHBondContact O-N 3.24Å; L21-Q24 VanDerWaalsContact O-N 3.09Å; L21-I82 HydrophobicContact CB-CG2 4.16Å; L21-I82 WeakPolarHBondContact O-CG2 3.31Å; L21-V85 HydrophobicContact CD1-CB 3.93Å; L21-V85 HydrophobicContact CD1-CG1 3.44Å; L21-V85 VanDerWaalsContact CD1-CG1 3.44Å; L21-A86 HydrophobicContact CB-CB 4.38Å; L21-A86 HydrophobicContact CD1-CB 4.14Å; L21-L89 HydrophobicContact CD1-CD1 3.57Å; L21-M125 HydrophobicContact CD2-CE 3.65Å; L21-M125 HydrophobicContact CD2-SD 3.82Å; L21-L128 HydrophobicContact CD1-CD2 3.93Å; L21-L128 HydrophobicContact CD2-CD2 3.27Å; L21-L128 HydrophobicContact CG-CD2 3.45Å; L21-L128 VanDerWaalsContact CG-CD2 3.45Å
22K94.3Very high93.6Very high100 Ų10060.8 Ų60.844%0.43528%0.284SS..Hα-helixtrans-60.3-37.2179.5-76.5-174.5179.3-171.80112.3T18 S19 V20 Q24 K25T18-K22 WeakPolarHBondContact O-CG 3.48Å; T18-K22 PolarHBondContact O-N 3Å; S19-K22 PolarHBondContact O-N 3.22Å; V20-K22 PolarHBondContact O-N 3.37Å; K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.43Å; K22-K25 WeakPolarHBondContact O-CB 3.45Å; K22-K25 WeakPolarHBondContact O-CG 3.17Å; K22-K25 PolarHBondContact O-N 2.77Å
23R95.7Very high94.1Very high165 Ų16562.5 Ų62.562%0.62329%0.288SS*.Hα-helixtrans-64.7-32.4177.3-72.9174-177.3-175.7-0112.5S19 V20 L21 K25 Y26 P27S19-R23 WeakPolarHBondContact O-CG 3.37Å; S19-R23 PolarHBondContact O-N 3.27Å; V20-R23 PolarHBondContact O-N 3.28Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.12Å; R23-K25 PolarHBondContact O-N 3.5Å; R23-Y26 WeakPolarHBondContact O-CD2 3.38Å; R23-Y26 PolarHBondContact O-N 3.45Å; R23-P27 WeakPolarHBondContact O-CD 3.44Å
24Q94.6Very high94.5Very high38 Ų3862.1 Ų62.118%0.17829%0.292CS..Hα-helixtrans-68.4-14.9176.6-62.4-51.9-4800113.5V20 L21 K22 Y26 P27 L28 I82 L121 T124 M125V20-Q24 PolarHBondContact O-N 3.47Å; L21-Q24 WeakPolarHBondContact O-CB 3.29Å; L21-Q24 PolarHBondContact O-N 3.24Å; L21-Q24 VanDerWaalsContact O-N 3.09Å; K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.43Å; Q24-Y26 VanDerWaalsContact C-N 3.34Å; Q24-Y26 PolarHBondContact O-N 2.69Å; Q24-P27 WeakPolarHBondContact O-CD 3.43Å; Q24-P27 WeakPolarHBondContact O-CG 3.44Å; Q24-L28 WeakPolarHBondContact O-CG 3.27Å; Q24-I82 HydrophobicContact CB-CD1 4.17Å; Q24-L121 HydrophobicContact CB-CD2 3.91Å; Q24-L121 HydrophobicContact CG-CD2 4.31Å; Q24-T124 HydrophobicContact CG-CG2 3.78Å; Q24-M125 HydrophobicContact CB-CE 4.21Å; Q24-M125 HydrophobicContact CG-CE 3.96Å
25K96Very high94.9Very high39 Ų3964.3 Ų64.317%0.1730%0.302CS..Hα-helixtrans-67.2-34.5175.5-59.5-175.670.2171.80112.7K22 R23 L28 Q29 L79 I82 D83K22-K25 WeakPolarHBondContact O-CB 3.45Å; K22-K25 WeakPolarHBondContact O-CG 3.17Å; K22-K25 PolarHBondContact O-N 2.77Å; R23-K25 PolarHBondContact O-N 3.5Å; K25-L28 PolarHBondContact O-N 3Å; K25-Q29 WeakPolarHBondContact O-CB 3.31Å; K25-Q29 VanDerWaalsContact O-CG 3.24Å; K25-Q29 WeakPolarHBondContact O-CG 3.33Å; K25-Q29 PolarHBondContact O-N 3.04Å; K25-L79 HydrophobicContact CB-CD2 3.87Å; K25-L79 HydrophobicContact CG-CD2 4.06Å; K25-I82 HydrophobicContact CD-CG2 4.06Å; K25-I82 HydrophobicContact CG-CB 4.49Å; K25-I82 HydrophobicContact CG-CD1 4.43Å; K25-I82 HydrophobicContact CG-CG2 3.68Å; K25-D83 IonicContact NZ-OD1 3.64Å; K25-D83 PolarHBondContact NZ-OD1 3.29Å; K25-D83 IonicContact NZ-OD2 2.77Å; K25-D83 PolarHBondContact NZ-OD2 3.39Å
26Y95.8Very high95.2Very high162 Ų16263.1 Ų63.164%0.63530%0.296SS*.Hα-helixtrans-63-49-175.2-63.5-67.5000114.3R23 Q24 Q29 R30R23-Y26 WeakPolarHBondContact O-CD2 3.38Å; R23-Y26 PolarHBondContact O-N 3.45Å; Q24-Y26 VanDerWaalsContact C-N 3.34Å; Q24-Y26 PolarHBondContact O-N 2.69Å; Y26-Q29 PolarHBondContact O-N 3.41Å; Y26-R30 PolarHBondContact O-N 3.29Å
27P95.3Very high95.5Very high55 Ų5566.4 Ų66.436%0.35731%0.305SS..Hα-helixtrans-61.1-44.6174.922.1-32.3000111.7R23 Q24 Q29 R30 D31R23-P27 WeakPolarHBondContact O-CD 3.44Å; Q24-P27 WeakPolarHBondContact O-CD 3.43Å; Q24-P27 WeakPolarHBondContact O-CG 3.44Å; P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.3Å; P27-R30 WeakPolarHBondContact O-CA 3.27Å; P27-R30 WeakPolarHBondContact O-CB 3.49Å; P27-R30 PolarHBondContact O-N 2.79Å; P27-D31 VanDerWaalsContact O-CG 3.24Å; P27-D31 PolarHBondContact O-N 2.83Å
28L95.5Very high95.7Very high0 Ų069.4 Ų69.40%032%0.319CS..Hα-helixtrans-59.8-42.2177.7-58174.9000112.4Q24 K25 R30 D31 I32 L75 A78 L79 I82 E120 L121Q24-L28 WeakPolarHBondContact O-CG 3.27Å; K25-L28 PolarHBondContact O-N 3Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 3.23Å; L28-D31 PolarHBondContact O-N 3.4Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.48Å; L28-I32 PolarHBondContact O-N 3.32Å; L28-L75 HydrophobicContact CD2-CD2 3.69Å; L28-A78 HydrophobicContact CD1-CB 4.29Å; L28-L79 HydrophobicContact CB-CD2 3.99Å; L28-L79 HydrophobicContact CB-CG 4.4Å; L28-L79 HydrophobicContact CD1-CD2 4.01Å; L28-L79 HydrophobicContact CD1-CG 4.47Å; L28-I82 HydrophobicContact CD1-CD1 3.5Å; L28-E120 HydrophobicContact CD2-CB 4.46Å; L28-L121 HydrophobicContact CD1-CD1 3.9Å; L28-L121 HydrophobicContact CD1-CD2 4.18Å; L28-L121 HydrophobicContact CD1-CG 4.47Å; L28-L121 HydrophobicContact CD2-CD1 4.27Å; L28-L121 HydrophobicContact CD2-CD2 4.1Å; L28-L121 HydrophobicContact CD2-CG 4.17Å; L28-L121 HydrophobicContact CG-CD2 4.28Å
29Q96.9Very high95.8Very high85 Ų8570.1 Ų70.140%0.39732%0.322SS..Hα-helixtrans-62.7-40.1174.9-76.1174.2-17.500111.7K25 Y26 P27 D31 Q33 L79K25-Q29 WeakPolarHBondContact O-CB 3.31Å; K25-Q29 VanDerWaalsContact O-CG 3.24Å; K25-Q29 WeakPolarHBondContact O-CG 3.33Å; K25-Q29 PolarHBondContact O-N 3.04Å; Y26-Q29 PolarHBondContact O-N 3.41Å; P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.3Å; Q29-D31 VanDerWaalsContact C-N 3.35Å; Q29-Q33 VanDerWaalsContact O-CG 3.31Å; Q29-Q33 WeakPolarHBondContact O-CG 3.28Å; Q29-Q33 PolarHBondContact O-N 3.01Å; Q29-Q33 VanDerWaalsContact O-N 3.08Å; Q29-L79 HydrophobicContact CG-CD1 4.11Å; Q29-L79 HydrophobicContact CG-CD2 4.24Å
30R96.8Very high95.9Very high194 Ų19474.2 Ų74.273%0.73233%0.333SS*.Hα-helixtrans-62.7-42.5175177.6-179.2176.2157.10111.4Y26 P27 L28 Q33 A34Y26-R30 PolarHBondContact O-N 3.29Å; P27-R30 WeakPolarHBondContact O-CA 3.27Å; P27-R30 WeakPolarHBondContact O-CB 3.49Å; P27-R30 PolarHBondContact O-N 2.79Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 3.23Å; R30-Q33 PolarHBondContact O-N 2.96Å; R30-A34 PolarHBondContact O-N 3.04Å
31D95.4Very high96Very high52 Ų5277.6 Ų77.628%0.27835%0.345SS..Hα-helixtrans-69-40.3-179.4-62.6-21.9000111.4P27 L28 Q29 Q33 A34 H35 L75P27-D31 VanDerWaalsContact O-CG 3.24Å; P27-D31 PolarHBondContact O-N 2.83Å; L28-D31 PolarHBondContact O-N 3.4Å; Q29-D31 VanDerWaalsContact C-N 3.35Å; D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 3.2Å; D31-A34 WeakPolarHBondContact O-CB 3.49Å; D31-A34 PolarHBondContact O-N 3.03Å; D31-A34 VanDerWaalsContact O-N 3.08Å; D31-H35 PolarHBondContact O-CD2 3.17Å; D31-H35 VanDerWaalsContact O-CD2 3.27Å; D31-H35 PolarHBondContact O-N 3.25Å; D31-L75 HydrophobicContact CB-CD1 4.02Å
32I97.1Very high96.1Very high3 Ų378.1 Ų78.12%0.01535%0.348CS..Hα-helixtrans-54.7-49.2169.9-71.3164.9000110.2L28 A34 H35 L36 L75 Y76 L79L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.48Å; L28-I32 PolarHBondContact O-N 3.32Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 2.88Å; I32-H35 PolarHBondContact O-N 2.92Å; I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.28Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.19Å; I32-L36 PolarHBondContact O-N 3.19Å; I32-L75 HydrophobicContact CD1-CB 3.88Å; I32-L75 HydrophobicContact CG1-CB 3.54Å; I32-L75 HydrophobicContact CG1-CD1 3.83Å; I32-L75 HydrophobicContact CG1-CG 4.33Å; I32-Y76 HydrophobicContact CD1-CD1 3.99Å; I32-Y76 HydrophobicContact CD1-CE1 3.98Å; I32-Y76 HydrophobicContact CD1-CG 4.3Å; I32-Y76 HydrophobicContact CG2-CE1 4.38Å; I32-Y76 HydrophobicContact CG2-CE2 4.03Å; I32-L79 HydrophobicContact CD1-CD1 3.44Å; I32-L79 VanDerWaalsContact CD1-CD1 3.44Å; I32-L79 HydrophobicContact CD1-CG 4.32Å
33Q97.7Very high96.1Very high100 Ų10075.8 Ų75.847%0.46734%0.339SS..Hα-helixtrans-64.1-32.4178.7-65.7-57.3-42.200112.6Q29 R30 D31 R37Q29-Q33 VanDerWaalsContact O-CG 3.31Å; Q29-Q33 WeakPolarHBondContact O-CG 3.28Å; Q29-Q33 PolarHBondContact O-N 3.01Å; Q29-Q33 VanDerWaalsContact O-N 3.08Å; R30-Q33 PolarHBondContact O-N 2.96Å; D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 3.2Å; Q33-R37 WeakPolarHBondContact O-CG 3.33Å; Q33-R37 PolarHBondContact O-N 3.3Å; Q33-R37 PolarHBondContact O-NH1 2.97Å
34A96.8Very high96Very high37 Ų3773 Ų7331%0.30633%0.334SS..Hα-helixtrans-66.9-47.9174.800000111.7R30 D31 I32 L36 R37 Q38R30-A34 PolarHBondContact O-N 3.04Å; D31-A34 WeakPolarHBondContact O-CB 3.49Å; D31-A34 PolarHBondContact O-N 3.03Å; D31-A34 VanDerWaalsContact O-N 3.08Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 2.88Å; A34-L36 PolarHBondContact O-N 3.45Å; A34-R37 PolarHBondContact O-N 3.43Å; A34-Q38 PolarHBondContact O-N 3.47Å
35H96Very high96Very high48 Ų4872.3 Ų72.322%0.22234%0.335CS..Hα-helixtrans-63.5-40.7176.7-73.7-57.2000112.6D31 I32 R37 Q38 Q39 V72D31-H35 PolarHBondContact O-CD2 3.17Å; D31-H35 VanDerWaalsContact O-CD2 3.27Å; D31-H35 PolarHBondContact O-N 3.25Å; I32-H35 PolarHBondContact O-N 2.92Å; H35-R37 VanDerWaalsContact C-N 3.29Å; H35-R37 PolarHBondContact O-N 3.49Å; H35-Q38 WeakPolarHBondContact O-CB 3.39Å; H35-Q38 PolarHBondContact O-N 3.31Å; H35-Q38 VanDerWaalsContact O-N 3.14Å; H35-Q39 WeakPolarHBondContact O-CG 3.46Å; H35-Q39 PolarHBondContact O-N 3.21Å; H35-V72 HydrophobicContact CB-CG2 3.41Å; H35-V72 VanDerWaalsContact CB-CG2 3.41Å
36L97.3Very high95.9Very high61 Ų6170.5 Ų70.532%0.31933%0.327SS..Hα-helixtrans-61.9-36.7176.3-70174.9000112.4I32 A34 K40 V72I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.28Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.19Å; I32-L36 PolarHBondContact O-N 3.19Å; A34-L36 PolarHBondContact O-N 3.45Å; L36-K40 PolarHBondContact O-N 3.38Å; L36-V72 HydrophobicContact CD2-CG1 4.46Å
37R97.3Very high95.6Very high144 Ų14468.2 Ų68.254%0.54332%0.317SS..Hα-helixtrans-66.5-42.9173-72.8-171.6-56.9-90.72.3111.8Q33 A34 H35 K40 Q41Q33-R37 WeakPolarHBondContact O-CG 3.33Å; Q33-R37 PolarHBondContact O-N 3.3Å; Q33-R37 PolarHBondContact O-NH1 2.97Å; A34-R37 PolarHBondContact O-N 3.43Å; H35-R37 VanDerWaalsContact C-N 3.29Å; H35-R37 PolarHBondContact O-N 3.49Å; R37-K40 PolarHBondContact O-N 3Å; R37-Q41 WeakPolarHBondContact O-CG 3.42Å; R37-Q41 PolarHBondContact O-N 3.2Å; R37-Q41 VanDerWaalsContact O-N 3.17Å
38Q95.7Very high95.5Very high63 Ų6371.6 Ų71.629%0.29433%0.326SS..Hα-helixtrans-61.9-44.3176.2-174.4-175.81.100111.2A34 H35 K40 Q41 L42 E64A34-Q38 PolarHBondContact O-N 3.47Å; H35-Q38 WeakPolarHBondContact O-CB 3.39Å; H35-Q38 PolarHBondContact O-N 3.31Å; H35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 2.74Å; Q38-Q41 WeakPolarHBondContact O-CB 2.8Å; Q38-Q41 PolarHBondContact O-N 2.68Å; Q38-L42 HydrophobicContact CG-CD1 4.01Å; Q38-L42 HydrophobicContact CG-CG 4.43Å; Q38-L42 WeakPolarHBondContact O-CG 3.31Å; Q38-L42 PolarHBondContact O-N 3.22Å; Q38-E64 PolarHBondContact NE2-OE1 3.42Å
39Q95.6Very high95.3Very high22 Ų2272 Ų7210%0.10333%0.329CS..Hα-helixtrans-55.9-43.6175.4-75.7174.612.400112.1H35 Q41 L42 E43 Y65 S68H35-Q39 WeakPolarHBondContact O-CG 3.46Å; H35-Q39 PolarHBondContact O-N 3.21Å; Q39-Q41 VanDerWaalsContact C-N 3.33Å; Q39-Q41 PolarHBondContact O-N 3.02Å; Q39-L42 PolarHBondContact O-N 3.31Å; Q39-E43 WeakPolarHBondContact O-CB 3.38Å; Q39-E43 PolarHBondContact O-N 2.86Å; Q39-Y65 HydrophobicContact CB-CD2 4.12Å; Q39-Y65 HydrophobicContact CB-CE2 3.78Å; Q39-Y65 HydrophobicContact CG-CD2 4.18Å; Q39-Y65 HydrophobicContact CG-CE2 4.07Å; Q39-S68 VanDerWaalsContact CG-OG 3.27Å; Q39-S68 WeakPolarHBondContact CG-OG 3.48Å; Q39-S68 VanDerWaalsContact NE2-C 3.28Å; Q39-S68 PolarHBondContact NE2-O 3.5Å; Q39-S68 PolarHBondContact NE2-OG 3.27Å; Q39-S68 VanDerWaalsContact NE2-OG 3.16Å
40K96.3Very high94.9Very high137 Ų13768.4 Ų68.460%0.59631%0.314SS*.Hα-helixtrans-63.3-38176.1-174.1175.8-179.6176.70112.4L36 R37 Q38 M44L36-K40 PolarHBondContact O-N 3.38Å; R37-K40 PolarHBondContact O-N 3Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 2.74Å; K40-M44 WeakPolarHBondContact O-CG 3.35Å; K40-M44 PolarHBondContact O-N 3.44Å
41Q96Very high94.6Very high125 Ų12567.5 Ų67.558%0.58432%0.315SS*.Hα-helixtrans-67.3-43.8176-68.6175.3-1.600111.6R37 Q38 Q39 M44 A45R37-Q41 WeakPolarHBondContact O-CG 3.42Å; R37-Q41 PolarHBondContact O-N 3.2Å; R37-Q41 VanDerWaalsContact O-N 3.17Å; Q38-Q41 WeakPolarHBondContact O-CB 2.8Å; Q38-Q41 PolarHBondContact O-N 2.68Å; Q39-Q41 VanDerWaalsContact C-N 3.33Å; Q39-Q41 PolarHBondContact O-N 3.02Å; Q41-M44 HydrophobicContact CG-CE 4.34Å; Q41-M44 PolarHBondContact O-N 3.48Å; Q41-A45 PolarHBondContact O-N 2.87Å
42L95.7Very high94.4Very high10 Ų1070.6 Ų70.65%0.05233%0.328CS..Hα-helixtrans-63.3-41.9176.4-68.8169.4000111.8Q38 Q39 M44 A45 I46 Y61 E64 Y65Q38-L42 HydrophobicContact CG-CD1 4.01Å; Q38-L42 HydrophobicContact CG-CG 4.43Å; Q38-L42 WeakPolarHBondContact O-CG 3.31Å; Q38-L42 PolarHBondContact O-N 3.22Å; Q39-L42 PolarHBondContact O-N 3.31Å; L42-M44 VanDerWaalsContact C-N 3.32Å; L42-M44 PolarHBondContact O-N 3.45Å; L42-A45 PolarHBondContact O-N 3.12Å; L42-A45 VanDerWaalsContact O-N 3.13Å; L42-I46 VanDerWaalsContact O-CG1 3.23Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 3.46Å; L42-Y61 HydrophobicContact CD2-CD1 3.78Å; L42-Y61 HydrophobicContact CD2-CG 4.48Å; L42-E64 HydrophobicContact CD1-CB 4.04Å; L42-E64 HydrophobicContact CD1-CG 3.81Å; L42-E64 HydrophobicContact CD2-CB 4.15Å; L42-E64 HydrophobicContact CD2-CG 4.2Å; L42-Y65 HydrophobicContact CB-CD2 4.06Å
43E94.3Very high93.9Very high51 Ų5175 Ų7524%0.23836%0.359CS..Hα-helixtrans-57.7-44.2174.6177.4-178.2168.600111.9Q39 R47 L170Q39-E43 WeakPolarHBondContact O-CB 3.38Å; Q39-E43 PolarHBondContact O-N 2.86Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.11Å; E43-R47 VanDerWaalsContact O-N 3.08Å; E43-R47 IonicContact OE1-CZ 3.96Å; E43-R47 IonicContact OE1-NE 3.89Å; E43-R47 IonicContact OE1-NH1 2.66Å; E43-R47 PolarHBondContact OE1-NH1 3.41Å; E43-R47 IonicContact OE1-NH2 3Å; E43-R47 PolarHBondContact OE1-NH2 2.99Å; E43-L170 HydrophobicContact CG-CD2 4.06Å
44M94.4Very high93.6Very high107 Ų10772.9 Ų72.953%0.52735%0.351SS..Hα-helixtrans-64.9-40175.5-68.8-175.2-63.400112K40 Q41 L42 K48K40-M44 WeakPolarHBondContact O-CG 3.35Å; K40-M44 PolarHBondContact O-N 3.44Å; Q41-M44 HydrophobicContact CG-CE 4.34Å; Q41-M44 PolarHBondContact O-N 3.48Å; L42-M44 VanDerWaalsContact C-N 3.32Å; L42-M44 PolarHBondContact O-N 3.45Å; M44-K48 WeakPolarHBondContact O-CB 3.47Å; M44-K48 PolarHBondContact O-N 3.42Å
45A94.2Very high93.2Very high24 Ų2475 Ų7520%0.19836%0.356CS..Hα-helixtrans-65.2-45.8177.500000112Q41 L42 R47 K48 C49 Y61Q41-A45 PolarHBondContact O-N 2.87Å; L42-A45 PolarHBondContact O-N 3.12Å; L42-A45 VanDerWaalsContact O-N 3.13Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.26Å; A45-K48 WeakPolarHBondContact O-CB 3.11Å; A45-K48 PolarHBondContact O-N 3.32Å; A45-K48 VanDerWaalsContact O-N 3.09Å; A45-C49 PolarHBondContact O-N 2.85Å; A45-C49 PolarHBondContact O-SG 3.37Å; A45-Y61 HydrophobicContact CB-CD1 4.15Å; A45-Y61 HydrophobicContact CB-CD2 3.89Å; A45-Y61 HydrophobicContact CB-CE1 4.19Å; A45-Y61 HydrophobicContact CB-CE2 3.96Å; A45-Y61 HydrophobicContact CB-CG 4Å
46I92.8Very high93Very high0 Ų077.2 Ų77.20%038%0.375CS..Hα-helixtrans-58-46.7176.4-68163.9000110.3L42 K48 C49 A50 Y61 A62 Y65 V166 L167 L170 T171L42-I46 VanDerWaalsContact O-CG1 3.23Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 3.46Å; I46-K48 VanDerWaalsContact C-N 3.3Å; I46-K48 PolarHBondContact O-N 3.24Å; I46-C49 PolarHBondContact O-N 3.37Å; I46-A50 WeakPolarHBondContact O-CB 3.36Å; I46-A50 PolarHBondContact O-N 3.04Å; I46-Y61 VanDerWaalsContact CG1-CB 3.5Å; I46-A62 HydrophobicContact CD1-CB 4.21Å; I46-Y65 HydrophobicContact CD1-CG 4.46Å; I46-V166 HydrophobicContact CD1-CG1 4.32Å; I46-L167 HydrophobicContact CG2-CD2 3.97Å; I46-L170 HydrophobicContact CD1-CD1 3.57Å; I46-L170 HydrophobicContact CG2-CB 4.23Å; I46-L170 HydrophobicContact CG2-CD1 4.43Å; I46-T171 HydrophobicContact CG2-CG2 3.88Å
47R91.3Very high92.7Very high115 Ų11576.2 Ų76.243%0.43437%0.373SS..Hα-helixtrans-64.1-33.4176.7-74.3179.3175.3154.89.1113.2E43 A45 K51 L170E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.11Å; E43-R47 VanDerWaalsContact O-N 3.08Å; E43-R47 IonicContact OE1-CZ 3.96Å; E43-R47 IonicContact OE1-NE 3.89Å; E43-R47 IonicContact OE1-NH1 2.66Å; E43-R47 PolarHBondContact OE1-NH1 3.41Å; E43-R47 IonicContact OE1-NH2 3Å; E43-R47 PolarHBondContact OE1-NH2 2.99Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.26Å; R47-K51 WeakPolarHBondContact O-CG 3.39Å; R47-K51 PolarHBondContact O-N 3.34Å; R47-L170 PolarHBondContact NE-O 3.48Å
48K93.3Very high92.4Very high126 Ų12669.4 Ų69.455%0.54835%0.347SS..Hα-helixtrans-69.1-49.1175.7-174.9-177169.8-172.20110.7M44 A45 I46 A50 K51 E52M44-K48 WeakPolarHBondContact O-CB 3.47Å; M44-K48 PolarHBondContact O-N 3.42Å; A45-K48 WeakPolarHBondContact O-CB 3.11Å; A45-K48 PolarHBondContact O-N 3.32Å; A45-K48 VanDerWaalsContact O-N 3.09Å; I46-K48 VanDerWaalsContact C-N 3.3Å; I46-K48 PolarHBondContact O-N 3.24Å; K48-A50 PolarHBondContact O-N 3.48Å; K48-K51 WeakPolarHBondContact O-CB 3.26Å; K48-K51 PolarHBondContact O-N 3.49Å; K48-K51 VanDerWaalsContact O-N 3.09Å; K48-E52 WeakPolarHBondContact CE-OE1 3.47Å; K48-E52 IonicContact NZ-OE1 2.71Å; K48-E52 PolarHBondContact O-N 2.96Å; K48-E52 VanDerWaalsContact O-N 3.09Å
49C91.2Very high92.2Very high8 Ų871.4 Ų71.45%0.05436%0.355CS..Hα-helixtrans-59.7-35.3175.9-66.50000112.2A45 I46 K51 E52 S53 D54 A58 Y61A45-C49 PolarHBondContact O-N 2.85Å; A45-C49 PolarHBondContact O-SG 3.37Å; I46-C49 PolarHBondContact O-N 3.37Å; C49-K51 PolarHBondContact O-N 2.94Å; C49-E52 CarbonylContact O-C 3.53Å; C49-E52 PolarHBondContact O-N 3.43Å; C49-S53 PolarHBondContact O-N 3.28Å; C49-D54 HydrophobicContact CB-CB 4.39Å; C49-D54 PolarHBondContact O-N 3.04Å; C49-A58 HydrophobicContact CB-CB 3.8Å; C49-Y61 VanDerWaalsContact SG-CE2 3.59Å
50A88Confident92.1Very high10 Ų1075 Ų758%0.08338%0.378CS..Hα-helixtrans-59.4-43.7173.600000113I46 K48 E52 S53 T171 L175I46-A50 WeakPolarHBondContact O-CB 3.36Å; I46-A50 PolarHBondContact O-N 3.04Å; K48-A50 PolarHBondContact O-N 3.48Å; A50-E52 VanDerWaalsContact C-N 3.34Å; A50-S53 PolarHBondContact O-N 2.96Å; A50-T171 HydrophobicContact CB-CG2 3.65Å; A50-L175 HydrophobicContact CB-CD1 3.64Å; A50-L175 HydrophobicContact CB-CG 4.28Å
51K90.1Very high91.9Very high175 Ų17572.5 Ų72.576%0.76137%0.366SS*.Hα-helixtrans-67.7-34.9176.6-67.7174.5-177.8-176.40112.6R47 K48 C49 S53R47-K51 WeakPolarHBondContact O-CG 3.39Å; R47-K51 PolarHBondContact O-N 3.34Å; K48-K51 WeakPolarHBondContact O-CB 3.26Å; K48-K51 PolarHBondContact O-N 3.49Å; K48-K51 VanDerWaalsContact O-N 3.09Å; C49-K51 PolarHBondContact O-N 2.94Å; K51-S53 VanDerWaalsContact C-N 3.26Å
52E91Very high91.7Very high117 Ų11766.5 Ų66.555%0.54734%0.338SS..Hα-helixtrans-83.1-2.8179.7-67.5171.3-179.500112.7K48 C49 A50 D54K48-E52 WeakPolarHBondContact CE-OE1 3.47Å; K48-E52 IonicContact NZ-OE1 2.71Å; K48-E52 PolarHBondContact O-N 2.96Å; K48-E52 VanDerWaalsContact O-N 3.09Å; C49-E52 CarbonylContact O-C 3.53Å; C49-E52 PolarHBondContact O-N 3.43Å; A50-E52 VanDerWaalsContact C-N 3.34Å; E52-D54 PolarHBondContact O-N 2.77Å
53S86.5Confident91.6Very high95 Ų9571 Ų7166%0.66436%0.357SS*.THydrogen-bonded Turntrans56.225.2-173.2-54.90000113.9C49 A50 K51 I55C49-S53 PolarHBondContact O-N 3.28Å; A50-S53 PolarHBondContact O-N 2.96Å; K51-S53 VanDerWaalsContact C-N 3.26Å; S53-I55 PolarHBondContact O-N 2.98Å; S53-I55 VanDerWaalsContact O-N 3.13Å
54D91.1Very high91.5Very high55 Ų5572 Ų7229%0.29436%0.361SS..  trans-85.680.3176-175.5-2000110.4C49 E52 P56 S57 A58C49-D54 HydrophobicContact CB-CB 4.39Å; C49-D54 PolarHBondContact O-N 3.04Å; E52-D54 PolarHBondContact O-N 2.77Å; D54-P56 VanDerWaalsContact OD1-CD 3.31Å; D54-P56 WeakPolarHBondContact OD1-CD 3.41Å; D54-S57 VanDerWaalsContact CG-CB 3.46Å; D54-S57 VanDerWaalsContact CG-OG 3.23Å; D54-S57 PolarHBondContact OD1-N 2.96Å; D54-S57 VanDerWaalsContact OD1-N 3.15Å; D54-S57 PolarHBondContact OD1-OG 2.77Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 3.37Å; D54-A58 WeakPolarHBondContact O-CB 3.36Å; D54-A58 PolarHBondContact O-N 3.12Å; D54-A58 VanDerWaalsContact O-N 3.08Å
55I88.7Confident91.5Very high82 Ų8268.4 Ų68.442%0.42134%0.342SS..Hα-helixtrans-62.1-44.9-179.3-51.4-179.6000112.2S53 S57 A58 K59 L175S53-I55 PolarHBondContact O-N 2.98Å; S53-I55 VanDerWaalsContact O-N 3.13Å; I55-S57 PolarHBondContact O-N 3.33Å; I55-A58 PolarHBondContact O-N 3.27Å; I55-K59 HydrophobicContact CG2-CD 4.41Å; I55-K59 HydrophobicContact CG2-CG 4.47Å; I55-K59 WeakPolarHBondContact O-CG 3.44Å; I55-K59 PolarHBondContact O-N 2.87Å; I55-L175 HydrophobicContact CD1-CD2 4.28Å; I55-L175 HydrophobicContact CG1-CD2 3.84Å
56P91.3Very high91.4Very high94 Ų9467.6 Ų67.661%0.6134%0.336SS*.Hα-helixtrans-56.2-48.4178.3-26.435.1000113.3D54 K59 V60D54-P56 VanDerWaalsContact OD1-CD 3.31Å; D54-P56 WeakPolarHBondContact OD1-CD 3.41Å; P56-K59 PolarHBondContact O-N 3.18Å; P56-V60 PolarHBondContact O-N 2.95Å
57S92.1Very high91.2Very high41 Ų4172.5 Ų72.529%0.28736%0.358SS..Hα-helixtrans-67.3-39.5178.8-61.10000112D54 I55 K59 V60 Y61D54-S57 VanDerWaalsContact CG-CB 3.46Å; D54-S57 VanDerWaalsContact CG-OG 3.23Å; D54-S57 PolarHBondContact OD1-N 2.96Å; D54-S57 VanDerWaalsContact OD1-N 3.15Å; D54-S57 PolarHBondContact OD1-OG 2.77Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 3.37Å; I55-S57 PolarHBondContact O-N 3.33Å; S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 2.81Å; S57-V60 PolarHBondContact O-N 3.31Å; S57-Y61 WeakPolarHBondContact O-CD2 3.41Å; S57-Y61 PolarHBondContact O-N 3.36Å; S57-Y61 VanDerWaalsContact O-N 3.08Å
58A91.4Very high91.3Very high0 Ų067.2 Ų67.20%034%0.34CS..Hα-helixtrans-57.7-41.9176.200000111.9C49 D54 I55 V60 Y61 A62 L167 L175C49-A58 HydrophobicContact CB-CB 3.8Å; D54-A58 WeakPolarHBondContact O-CB 3.36Å; D54-A58 PolarHBondContact O-N 3.12Å; D54-A58 VanDerWaalsContact O-N 3.08Å; I55-A58 PolarHBondContact O-N 3.27Å; A58-V60 PolarHBondContact O-N 2.95Å; A58-Y61 PolarHBondContact O-N 3.42Å; A58-A62 VanDerWaalsContact O-CB 3.27Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.36Å; A58-L167 HydrophobicContact CB-CD2 3.85Å; A58-L175 HydrophobicContact CB-CD1 3.87Å
59K90.9Very high91.3Very high105 Ų10565 Ų6546%0.45733%0.33SS..Hα-helixtrans-62.5-40.6176.8-76-177.1174.8-168.80112.8I55 P56 S57 A62 K63 L167I55-K59 HydrophobicContact CG2-CD 4.41Å; I55-K59 HydrophobicContact CG2-CG 4.47Å; I55-K59 WeakPolarHBondContact O-CG 3.44Å; I55-K59 PolarHBondContact O-N 2.87Å; P56-K59 PolarHBondContact O-N 3.18Å; S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 2.81Å; K59-A62 PolarHBondContact O-N 3.38Å; K59-K63 PolarHBondContact O-N 2.97Å; K59-L167 HydrophobicContact CG-CD1 3.91Å
60V92.8Very high91.3Very high97 Ų9767.8 Ų67.859%0.58834%0.341SS*.Hα-helixtrans-63.7-48.7177.41760000110.6P56 S57 A58 A62 K63 E64P56-V60 PolarHBondContact O-N 2.95Å; S57-V60 PolarHBondContact O-N 3.31Å; A58-V60 PolarHBondContact O-N 2.95Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 2.94Å; V60-K63 PolarHBondContact O-N 3.23Å; V60-E64 PolarHBondContact O-N 3.31Å; V60-E64 VanDerWaalsContact O-N 3.1Å
61Y93.4Very high91.4Very high85 Ų8567.8 Ų67.833%0.33334%0.341SS..Hα-helixtrans-64.1-37177.5-65.1-53.8000112.7L42 A45 I46 C49 S57 A58 E64 Y65L42-Y61 HydrophobicContact CD2-CD1 3.78Å; L42-Y61 HydrophobicContact CD2-CG 4.48Å; A45-Y61 HydrophobicContact CB-CD1 4.15Å; A45-Y61 HydrophobicContact CB-CD2 3.89Å; A45-Y61 HydrophobicContact CB-CE1 4.19Å; A45-Y61 HydrophobicContact CB-CE2 3.96Å; A45-Y61 HydrophobicContact CB-CG 4Å; I46-Y61 VanDerWaalsContact CG1-CB 3.5Å; C49-Y61 VanDerWaalsContact SG-CE2 3.59Å; S57-Y61 WeakPolarHBondContact O-CD2 3.41Å; S57-Y61 PolarHBondContact O-N 3.36Å; S57-Y61 VanDerWaalsContact O-N 3.08Å; A58-Y61 PolarHBondContact O-N 3.42Å; Y61-E64 PolarHBondContact O-N 3.19Å; Y61-Y65 VanDerWaalsContact O-CB 3.32Å; Y61-Y65 WeakPolarHBondContact O-CB 3.47Å; Y61-Y65 PolarHBondContact O-N 3.03Å
62A92.2Very high91.6Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-65.9-37.5176.500000112.3I46 A58 K59 V60 Y65 A66 V163 V166 L167I46-A62 HydrophobicContact CD1-CB 4.21Å; A58-A62 VanDerWaalsContact O-CB 3.27Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.36Å; K59-A62 PolarHBondContact O-N 3.38Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 2.94Å; A62-Y65 PolarHBondContact O-N 3.46Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.15Å; A62-V163 HydrophobicContact CB-CG1 3.9Å; A62-V166 HydrophobicContact CB-CB 4.46Å; A62-V166 HydrophobicContact CB-CG1 3.92Å; A62-L167 HydrophobicContact CB-CD1 4.44Å; A62-L167 HydrophobicContact CB-CD2 3.73Å; A62-L167 HydrophobicContact CB-CG 3.71Å
63K92.8Very high91.7Very high104 Ų10457.3 Ų57.345%0.45231%0.306SS..Hα-helixtrans-61.2-50.1172.1-176.6178.9175.9176.60111.6K59 V60 Y65 A66 E67 V163K59-K63 PolarHBondContact O-N 2.97Å; V60-K63 PolarHBondContact O-N 3.23Å; K63-Y65 VanDerWaalsContact C-N 3.26Å; K63-Y65 PolarHBondContact O-N 2.99Å; K63-A66 PolarHBondContact O-N 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.46Å; K63-E67 WeakPolarHBondContact O-CG 3.36Å; K63-E67 PolarHBondContact O-N 3.05Å; K63-V163 HydrophobicContact CB-CG2 3.97Å; K63-V163 HydrophobicContact CG-CG2 4.46Å
64E92.6Very high92Very high71 Ų7157.5 Ų57.533%0.33229%0.292SS..Hα-helixtrans-61.1-37.2177.8-166.3-176.2157.200111.7Q38 L42 V60 Y61 E67 S68Q38-E64 PolarHBondContact NE2-OE1 3.42Å; L42-E64 HydrophobicContact CD1-CB 4.04Å; L42-E64 HydrophobicContact CD1-CG 3.81Å; L42-E64 HydrophobicContact CD2-CB 4.15Å; L42-E64 HydrophobicContact CD2-CG 4.2Å; V60-E64 PolarHBondContact O-N 3.31Å; V60-E64 VanDerWaalsContact O-N 3.1Å; Y61-E64 PolarHBondContact O-N 3.19Å; E64-E67 PolarHBondContact O-N 2.92Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.12Å
65Y93.8Very high92.1Very high32 Ų3254.9 Ų54.913%0.12528%0.278CS..Hα-helixtrans-65.3-44.3176.2-177.9-92.3000112Q39 L42 I46 Y61 A62 K63 S68 K69 V166 L170Q39-Y65 HydrophobicContact CB-CD2 4.12Å; Q39-Y65 HydrophobicContact CB-CE2 3.78Å; Q39-Y65 HydrophobicContact CG-CD2 4.18Å; Q39-Y65 HydrophobicContact CG-CE2 4.07Å; L42-Y65 HydrophobicContact CB-CD2 4.06Å; I46-Y65 HydrophobicContact CD1-CG 4.46Å; Y61-Y65 VanDerWaalsContact O-CB 3.32Å; Y61-Y65 WeakPolarHBondContact O-CB 3.47Å; Y61-Y65 PolarHBondContact O-N 3.03Å; A62-Y65 PolarHBondContact O-N 3.46Å; K63-Y65 VanDerWaalsContact C-N 3.26Å; K63-Y65 PolarHBondContact O-N 2.99Å; Y65-S68 PolarHBondContact O-N 3.18Å; Y65-K69 HydrophobicContact CD1-CD 3.92Å; Y65-K69 HydrophobicContact CD1-CG 4.39Å; Y65-K69 HydrophobicContact CE1-CD 3.36Å; Y65-K69 HydrophobicContact CE1-CG 4.05Å; Y65-K69 PolarHBondContact O-N 3.23Å; Y65-V166 HydrophobicContact CD1-CB 4.36Å; Y65-V166 HydrophobicContact CD1-CG1 3.41Å; Y65-V166 VanDerWaalsContact CD1-CG1 3.41Å; Y65-V166 HydrophobicContact CD1-CG2 3.92Å; Y65-V166 HydrophobicContact CE1-CG1 4.01Å; Y65-V166 HydrophobicContact CE1-CG2 4.26Å; Y65-V166 HydrophobicContact CG-CG1 4.16Å; Y65-L170 HydrophobicContact CD1-CD1 4.19Å; Y65-L170 HydrophobicContact CD2-CD1 4.46Å; Y65-L170 HydrophobicContact CE1-CD1 4.01Å; Y65-L170 HydrophobicContact CE2-CD1 4.33Å; Y65-L170 HydrophobicContact CG-CD1 4.39Å
66A91.3Very high92.4Very high7 Ų756.6 Ų56.66%0.05828%0.28CS..Hα-helixtrans-62.2-44.1176.200000111.8A62 K63 S68 K69 K70 E162 V166A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.15Å; K63-A66 PolarHBondContact O-N 3.23Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.97Å; A66-K69 PolarHBondContact O-N 3.47Å; A66-K70 WeakPolarHBondContact O-CG 3.35Å; A66-K70 PolarHBondContact O-N 3.36Å; A66-K70 VanDerWaalsContact O-N 3.08Å; A66-E162 HydrophobicContact CB-CG 3.99Å; A66-V166 HydrophobicContact CB-CG2 4.41Å
67E90.3Very high92.5Very high103 Ų10356.6 Ų56.648%0.48127%0.274SS..Hα-helixtrans-61.3-42.2174.8-72175.5-172.300111.7K63 E64 K69 K70 A71K63-E67 WeakPolarHBondContact CE-OE1 3.46Å; K63-E67 WeakPolarHBondContact O-CG 3.36Å; K63-E67 PolarHBondContact O-N 3.05Å; E64-E67 PolarHBondContact O-N 2.92Å; E67-K69 PolarHBondContact O-N 3.24Å; E67-K70 WeakPolarHBondContact O-CB 3.01Å; E67-K70 PolarHBondContact O-N 2.86Å; E67-A71 PolarHBondContact O-N 3.32Å
68S93Very high92.6Very high5 Ų554.6 Ų54.64%0.03526%0.261CS..Hα-helixtrans-62.8-40175.3-172.60000112.3Q39 E64 Y65 A66 A71 V72Q39-S68 VanDerWaalsContact CG-OG 3.27Å; Q39-S68 WeakPolarHBondContact CG-OG 3.48Å; Q39-S68 VanDerWaalsContact NE2-C 3.28Å; Q39-S68 PolarHBondContact NE2-O 3.5Å; Q39-S68 PolarHBondContact NE2-OG 3.27Å; Q39-S68 VanDerWaalsContact NE2-OG 3.16Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.12Å; Y65-S68 PolarHBondContact O-N 3.18Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.97Å; S68-A71 PolarHBondContact O-N 3.03Å; S68-V72 WeakPolarHBondContact O-CG2 3.45Å; S68-V72 PolarHBondContact O-N 3.49Å
69K93Very high92.8Very high80 Ų8055.5 Ų55.535%0.34827%0.265SS..Hα-helixtrans-61.1-44.2175.1-80.6-179.464.7-165.90111.8Y65 A66 E67 V72 A73 E162Y65-K69 HydrophobicContact CD1-CD 3.92Å; Y65-K69 HydrophobicContact CD1-CG 4.39Å; Y65-K69 HydrophobicContact CE1-CD 3.36Å; Y65-K69 HydrophobicContact CE1-CG 4.05Å; Y65-K69 PolarHBondContact O-N 3.23Å; A66-K69 PolarHBondContact O-N 3.47Å; E67-K69 PolarHBondContact O-N 3.24Å; K69-V72 PolarHBondContact O-N 2.88Å; K69-A73 WeakPolarHBondContact O-CB 3.47Å; K69-A73 PolarHBondContact O-N 3.41Å; K69-E162 IonicContact NZ-OE1 2.97Å
70K90.7Very high92.9Very high66 Ų6654 Ų5429%0.28727%0.268SS..Hα-helixtrans-60.7-44.6175.2-70.2172.5165-161.40111.6A66 E67 V72 A73 R74 E153A66-K70 WeakPolarHBondContact O-CG 3.35Å; A66-K70 PolarHBondContact O-N 3.36Å; A66-K70 VanDerWaalsContact O-N 3.08Å; E67-K70 WeakPolarHBondContact O-CB 3.01Å; E67-K70 PolarHBondContact O-N 2.86Å; K70-V72 PolarHBondContact O-N 3.43Å; K70-A73 PolarHBondContact O-N 3.47Å; K70-R74 WeakPolarHBondContact O-CB 3.29Å; K70-R74 PolarHBondContact O-N 3.38Å; K70-E153 WeakPolarHBondContact CD-OE1 3.5Å; K70-E153 WeakPolarHBondContact CE-OE1 3.42Å; K70-E153 WeakPolarHBondContact CG-OE1 3.31Å; K70-E153 IonicContact NZ-OE1 3.62Å; K70-E153 PolarHBondContact NZ-OE1 3.26Å
71A90.9Very high92.8Very high9 Ų950.5 Ų50.57%0.07425%0.245CC..Hα-helixtrans-59.8-46.8176.400000112E67 S68 A73 R74 L75E67-A71 PolarHBondContact O-N 3.32Å; S68-A71 PolarHBondContact O-N 3.03Å; A71-A73 PolarHBondContact O-N 3.05Å; A71-R74 PolarHBondContact O-N 2.89Å; A71-L75 VanDerWaalsContact O-CG 3.32Å; A71-L75 WeakPolarHBondContact O-CG 3.14Å; A71-L75 PolarHBondContact O-N 3.37Å
72V94.8Very high92.9Very high13 Ų1346.5 Ų46.58%0.07923%0.23CC..Hα-helixtrans-61-44.5176.7170.30000111.7H35 L36 S68 K69 K70 R74 L75 Y76H35-V72 HydrophobicContact CB-CG2 3.41Å; H35-V72 VanDerWaalsContact CB-CG2 3.41Å; L36-V72 HydrophobicContact CD2-CG1 4.46Å; S68-V72 WeakPolarHBondContact O-CG2 3.45Å; S68-V72 PolarHBondContact O-N 3.49Å; K69-V72 PolarHBondContact O-N 2.88Å; K70-V72 PolarHBondContact O-N 3.43Å; V72-R74 VanDerWaalsContact C-N 3.35Å; V72-R74 PolarHBondContact O-N 3.38Å; V72-L75 PolarHBondContact O-N 2.81Å; V72-Y76 HydrophobicContact CG1-CD2 3.56Å; V72-Y76 HydrophobicContact CG1-CE2 3.37Å; V72-Y76 VanDerWaalsContact O-CD2 3.26Å; V72-Y76 WeakPolarHBondContact O-CD2 3.48Å; V72-Y76 PolarHBondContact O-N 3.46Å
73A93Very high93Very high60 Ų6049.6 Ų49.650%0.49625%0.246SC..Hα-helixtrans-59.8-44.417700000111.9K69 K70 A71 L75 Y76 L77K69-A73 WeakPolarHBondContact O-CB 3.47Å; K69-A73 PolarHBondContact O-N 3.41Å; K70-A73 PolarHBondContact O-N 3.47Å; A71-A73 PolarHBondContact O-N 3.05Å; A73-L75 PolarHBondContact O-N 3.2Å; A73-Y76 PolarHBondContact O-N 2.93Å; A73-L77 PolarHBondContact O-N 2.86Å
74R91.3Very high93Very high98 Ų9847 Ų4737%0.3724%0.241SC..Hα-helixtrans-60.8-42.9175.4-178.1176.363.3-119.60.8112.3K70 A71 V72 L77 A78 L118K70-R74 WeakPolarHBondContact O-CB 3.29Å; K70-R74 PolarHBondContact O-N 3.38Å; A71-R74 PolarHBondContact O-N 2.89Å; V72-R74 VanDerWaalsContact C-N 3.35Å; V72-R74 PolarHBondContact O-N 3.38Å; R74-L77 WeakPolarHBondContact O-CB 3.34Å; R74-L77 PolarHBondContact O-N 3.35Å; R74-A78 PolarHBondContact O-N 3.49Å; R74-L118 HydrophobicContact CG-CD1 4.32Å; R74-L118 HydrophobicContact CG-CD2 4.49Å; R74-L118 HydrophobicContact CG-CG 4.42Å
75L93.8Very high92.9Very high1 Ų143.6 Ų43.61%0.00523%0.225CC..Hα-helixtrans-66.7-39.6178.5-68.4170.5000112.2L28 D31 I32 A71 V72 A73 A78 L79L28-L75 HydrophobicContact CD2-CD2 3.69Å; D31-L75 HydrophobicContact CB-CD1 4.02Å; I32-L75 HydrophobicContact CD1-CB 3.88Å; I32-L75 HydrophobicContact CG1-CB 3.54Å; I32-L75 HydrophobicContact CG1-CD1 3.83Å; I32-L75 HydrophobicContact CG1-CG 4.33Å; A71-L75 VanDerWaalsContact O-CG 3.32Å; A71-L75 WeakPolarHBondContact O-CG 3.14Å; A71-L75 PolarHBondContact O-N 3.37Å; V72-L75 PolarHBondContact O-N 2.81Å; A73-L75 PolarHBondContact O-N 3.2Å; L75-A78 PolarHBondContact O-N 2.94Å; L75-L79 PolarHBondContact O-N 3.34Å
76Y95.6Very high92.9Very high117 Ų11742.1 Ų42.146%0.45922%0.219SC..Hα-helixtrans-64.9-40173.6-82.1-60.7000112.5I32 V72 A73 A78 L79 S80I32-Y76 HydrophobicContact CD1-CD1 3.99Å; I32-Y76 HydrophobicContact CD1-CE1 3.98Å; I32-Y76 HydrophobicContact CD1-CG 4.3Å; I32-Y76 HydrophobicContact CG2-CE1 4.38Å; I32-Y76 HydrophobicContact CG2-CE2 4.03Å; V72-Y76 HydrophobicContact CG1-CD2 3.56Å; V72-Y76 HydrophobicContact CG1-CE2 3.37Å; V72-Y76 VanDerWaalsContact O-CD2 3.26Å; V72-Y76 WeakPolarHBondContact O-CD2 3.48Å; V72-Y76 PolarHBondContact O-N 3.46Å; A73-Y76 PolarHBondContact O-N 2.93Å; Y76-A78 VanDerWaalsContact C-N 3.31Å; Y76-A78 PolarHBondContact O-N 3.18Å; Y76-L79 HydrophobicContact CD1-CD1 4.19Å; Y76-L79 PolarHBondContact O-N 3.14Å; Y76-S80 PolarHBondContact O-N 3.26Å
77L93.2Very high92.9Very high94 Ų9448 Ų4849%0.49225%0.247SC..Hα-helixtrans-59.4-44.1173.5179.962000111A73 R74 L79 S80 Q81A73-L77 PolarHBondContact O-N 2.86Å; R74-L77 WeakPolarHBondContact O-CB 3.34Å; R74-L77 PolarHBondContact O-N 3.35Å; L77-L79 PolarHBondContact O-N 3.48Å; L77-S80 WeakPolarHBondContact O-CB 3.43Å; L77-S80 PolarHBondContact O-N 3.19Å; L77-Q81 WeakPolarHBondContact O-CG 3.46Å; L77-Q81 PolarHBondContact O-N 3.37Å
78A93.1Very high92.9Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-63.4-39.3176.300000112.9L28 R74 L75 Y76 S80 Q81 I82 L115 L118 L121L28-A78 HydrophobicContact CD1-CB 4.29Å; R74-A78 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 2.94Å; Y76-A78 VanDerWaalsContact C-N 3.31Å; Y76-A78 PolarHBondContact O-N 3.18Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 2.86Å; A78-Q81 PolarHBondContact O-N 3Å; A78-I82 WeakPolarHBondContact O-CG1 3.34Å; A78-I82 PolarHBondContact O-N 2.97Å; A78-L115 HydrophobicContact CB-CD2 3.84Å; A78-L115 WeakPolarHBondContact O-CD2 3.33Å; A78-L118 HydrophobicContact CB-CD2 3.35Å; A78-L121 HydrophobicContact CB-CD1 4.33Å
79L95.5Very high92.7Very high18 Ų1845.3 Ų45.39%0.09423%0.234CC..Hα-helixtrans-59.3-44.3173.3-74.6177.8000111.9K25 L28 Q29 I32 L75 Y76 L77 I82 D83K25-L79 HydrophobicContact CB-CD2 3.87Å; K25-L79 HydrophobicContact CG-CD2 4.06Å; L28-L79 HydrophobicContact CB-CD2 3.99Å; L28-L79 HydrophobicContact CB-CG 4.4Å; L28-L79 HydrophobicContact CD1-CD2 4.01Å; L28-L79 HydrophobicContact CD1-CG 4.47Å; Q29-L79 HydrophobicContact CG-CD1 4.11Å; Q29-L79 HydrophobicContact CG-CD2 4.24Å; I32-L79 HydrophobicContact CD1-CD1 3.44Å; I32-L79 VanDerWaalsContact CD1-CD1 3.44Å; I32-L79 HydrophobicContact CD1-CG 4.32Å; L75-L79 PolarHBondContact O-N 3.34Å; Y76-L79 HydrophobicContact CD1-CD1 4.19Å; Y76-L79 PolarHBondContact O-N 3.14Å; L77-L79 PolarHBondContact O-N 3.48Å; L79-I82 PolarHBondContact O-N 2.99Å; L79-D83 PolarHBondContact O-N 3.26Å
80S93.6Very high92.5Very high75 Ų7546 Ų4652%0.52423%0.234SC..Hα-helixtrans-62.5-43.5176.4-178.50000111.9Y76 L77 A78 I82 D83 C84Y76-S80 PolarHBondContact O-N 3.26Å; L77-S80 WeakPolarHBondContact O-CB 3.43Å; L77-S80 PolarHBondContact O-N 3.19Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 2.86Å; S80-I82 PolarHBondContact O-N 3.36Å; S80-D83 PolarHBondContact O-N 3.43Å; S80-C84 WeakPolarHBondContact O-CB 3.31Å; S80-C84 PolarHBondContact O-N 3.09Å
81Q91.9Very high92.4Very high23 Ų2346.9 Ų46.911%0.10724%0.239CC..Hα-helixtrans-62.8-42.1176.4-72.6169.1-900112.1L77 A78 D83 C84 V85 A111 S114 L115L77-Q81 WeakPolarHBondContact O-CG 3.46Å; L77-Q81 PolarHBondContact O-N 3.37Å; A78-Q81 PolarHBondContact O-N 3Å; Q81-D83 VanDerWaalsContact C-N 3.32Å; Q81-D83 PolarHBondContact O-N 3.31Å; Q81-C84 WeakPolarHBondContact O-CB 3.36Å; Q81-C84 PolarHBondContact O-N 3.31Å; Q81-V85 WeakPolarHBondContact O-CG2 3.33Å; Q81-V85 PolarHBondContact O-N 2.66Å; Q81-A111 HydrophobicContact CB-CB 4.11Å; Q81-A111 HydrophobicContact CG-CB 4.25Å; Q81-S114 VanDerWaalsContact CD-CB 3.43Å; Q81-S114 PolarHBondContact NE2-OG 3.3Å; Q81-S114 VanDerWaalsContact OE1-CB 3.28Å; Q81-L115 HydrophobicContact CB-CD1 4.03Å; Q81-L115 HydrophobicContact CB-CD2 3.8Å; Q81-L115 HydrophobicContact CB-CG 3.82Å
82I94.6Very high92.1Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-59.7-44.6173.2-72.3169.5000110.6L21 Q24 K25 L28 A78 L79 S80 V85 A86 L115 L121 M125L21-I82 HydrophobicContact CB-CG2 4.16Å; L21-I82 WeakPolarHBondContact O-CG2 3.31Å; Q24-I82 HydrophobicContact CB-CD1 4.17Å; K25-I82 HydrophobicContact CD-CG2 4.06Å; K25-I82 HydrophobicContact CG-CB 4.49Å; K25-I82 HydrophobicContact CG-CD1 4.43Å; K25-I82 HydrophobicContact CG-CG2 3.68Å; L28-I82 HydrophobicContact CD1-CD1 3.5Å; A78-I82 WeakPolarHBondContact O-CG1 3.34Å; A78-I82 PolarHBondContact O-N 2.97Å; L79-I82 PolarHBondContact O-N 2.99Å; S80-I82 PolarHBondContact O-N 3.36Å; I82-V85 PolarHBondContact O-N 3.48Å; I82-A86 WeakPolarHBondContact O-CB 3.33Å; I82-A86 PolarHBondContact O-N 3.01Å; I82-L115 HydrophobicContact CD1-CD2 4.48Å; I82-L115 HydrophobicContact CG1-CD1 3.92Å; I82-L115 HydrophobicContact CG1-CD2 3.91Å; I82-L121 HydrophobicContact CD1-CD1 4.17Å; I82-M125 HydrophobicContact CG1-CE 4.4Å
83D94.5Very high91.6Very high66 Ų6647 Ų4735%0.35324%0.239SC..Hα-helixtrans-65.3-39.9179.3-79.3-33.4000112.4K25 L79 S80 Q81 A86 M87K25-D83 IonicContact NZ-OD1 3.64Å; K25-D83 PolarHBondContact NZ-OD1 3.29Å; K25-D83 IonicContact NZ-OD2 2.77Å; K25-D83 PolarHBondContact NZ-OD2 3.39Å; L79-D83 PolarHBondContact O-N 3.26Å; S80-D83 PolarHBondContact O-N 3.43Å; Q81-D83 VanDerWaalsContact C-N 3.32Å; Q81-D83 PolarHBondContact O-N 3.31Å; D83-A86 PolarHBondContact O-N 3.34Å; D83-M87 VanDerWaalsContact O-CB 3.31Å; D83-M87 WeakPolarHBondContact O-CB 3.38Å; D83-M87 PolarHBondContact O-N 3.45Å
84C92Very high91.2Very high49 Ų4947.9 Ų47.933%0.33124%0.242SC..Hα-helixtrans-58.7-53.7173.8-178.40000111.5S80 Q81 A86 M87 E88 T107S80-C84 WeakPolarHBondContact O-CB 3.31Å; S80-C84 PolarHBondContact O-N 3.09Å; Q81-C84 WeakPolarHBondContact O-CB 3.36Å; Q81-C84 PolarHBondContact O-N 3.31Å; C84-A86 VanDerWaalsContact C-N 3.34Å; C84-A86 PolarHBondContact O-N 3.31Å; C84-M87 PolarHBondContact O-N 3.29Å; C84-E88 PolarHBondContact O-N 2.71Å; C84-T107 VanDerWaalsContact SG-CG2 3.56Å
85V91.8Very high90.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-62.2-43.6178.7-179.90000110.9L21 Q81 I82 M87 E88 L89 V108 A111 M132L21-V85 HydrophobicContact CD1-CB 3.93Å; L21-V85 HydrophobicContact CD1-CG1 3.44Å; L21-V85 VanDerWaalsContact CD1-CG1 3.44Å; Q81-V85 WeakPolarHBondContact O-CG2 3.33Å; Q81-V85 PolarHBondContact O-N 2.66Å; I82-V85 PolarHBondContact O-N 3.48Å; V85-M87 VanDerWaalsContact C-N 3.28Å; V85-M87 PolarHBondContact O-N 3.18Å; V85-E88 PolarHBondContact O-N 3.23Å; V85-L89 HydrophobicContact CG1-CD1 4.39Å; V85-L89 HydrophobicContact CG1-CG 4.34Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 2.85Å; V85-V108 HydrophobicContact CG1-CG1 3.97Å; V85-V108 HydrophobicContact CG1-CG2 4.46Å; V85-V108 HydrophobicContact CG2-CG1 4.29Å; V85-A111 HydrophobicContact CG2-CB 3.64Å; V85-M132 HydrophobicContact CG1-CE 3.45Å; V85-M132 VanDerWaalsContact CG1-CE 3.45Å
86A93.2Very high89.3Confident0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-68.3-27-178.900000112.8T18 L21 I82 D83 C84 R90T18-A86 HydrophobicContact CG2-CB 4.26Å; L21-A86 HydrophobicContact CB-CB 4.38Å; L21-A86 HydrophobicContact CD1-CB 4.14Å; I82-A86 WeakPolarHBondContact O-CB 3.33Å; I82-A86 PolarHBondContact O-N 3.01Å; D83-A86 PolarHBondContact O-N 3.34Å; C84-A86 VanDerWaalsContact C-N 3.34Å; C84-A86 PolarHBondContact O-N 3.31Å; A86-R90 VanDerWaalsContact CB-NH2 3.26Å; A86-R90 WeakPolarHBondContact O-CG 3.46Å; A86-R90 PolarHBondContact O-N 3.2Å; A86-R90 PolarHBondContact O-NE 3.02Å; A86-R90 PolarHBondContact O-NH2 3.33Å
87M91.8Very high87.8Confident131 Ų13155.7 Ų55.765%0.64529%0.29SS*.Hα-helixtrans-70.7-46.4170.9177.9174.5163.300110.9D83 C84 V85 L89 R90 H91D83-M87 VanDerWaalsContact O-CB 3.31Å; D83-M87 WeakPolarHBondContact O-CB 3.38Å; D83-M87 PolarHBondContact O-N 3.45Å; C84-M87 PolarHBondContact O-N 3.29Å; V85-M87 VanDerWaalsContact C-N 3.28Å; V85-M87 PolarHBondContact O-N 3.18Å; M87-L89 PolarHBondContact O-N 3.23Å; M87-R90 PolarHBondContact O-N 2.88Å; M87-H91 PolarHBondContact O-N 3.46Å
88E89.2Confident86.3Confident51 Ų5152.1 Ų52.124%0.23827%0.271CS..Hα-helixtrans-62.9-42.6179-171.779.2145.400112C84 V85 R90 H91 M92 S105 V108C84-E88 PolarHBondContact O-N 2.71Å; V85-E88 PolarHBondContact O-N 3.23Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 2.93Å; E88-H91 WeakPolarHBondContact O-CB 3.37Å; E88-H91 PolarHBondContact O-N 2.98Å; E88-H91 VanDerWaalsContact O-N 3.15Å; E88-H91 IonicContact OE2-ND1 2.69Å; E88-M92 HydrophobicContact CG-CE 4.04Å; E88-M92 PolarHBondContact O-N 2.88Å; E88-S105 VanDerWaalsContact OE1-CB 3.27Å; E88-S105 WeakPolarHBondContact OE1-CB 3.44Å; E88-S105 PolarHBondContact OE1-OG 3.31Å; E88-V108 HydrophobicContact CB-CG2 3.46Å; E88-V108 VanDerWaalsContact CB-CG2 3.46Å; E88-V108 HydrophobicContact CG-CG2 3.46Å; E88-V108 VanDerWaalsContact CG-CG2 3.46Å
89L89.4Confident84.6Confident0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-58.4-39.6175.8-70.7-177.8000112.3L14 M17 T18 L21 V85 M87 M92 A93 M132 I137L14-L89 HydrophobicContact CD2-CD2 3.77Å; M17-L89 HydrophobicContact CB-CD1 3.65Å; M17-L89 HydrophobicContact SD-CD2 4.32Å; T18-L89 VanDerWaalsContact OG1-CB 3.29Å; T18-L89 WeakPolarHBondContact OG1-CB 3.4Å; L21-L89 HydrophobicContact CD1-CD1 3.57Å; V85-L89 HydrophobicContact CG1-CD1 4.39Å; V85-L89 HydrophobicContact CG1-CG 4.34Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 2.85Å; M87-L89 PolarHBondContact O-N 3.23Å; L89-M92 HydrophobicContact CD2-CE 3.56Å; L89-M92 HydrophobicContact CG-CE 4.42Å; L89-A93 WeakPolarHBondContact O-CB 3.35Å; L89-A93 PolarHBondContact O-N 3.06Å; L89-M132 HydrophobicContact CD1-CE 3.77Å; L89-M132 HydrophobicContact CD2-CE 3.72Å; L89-M132 HydrophobicContact CG-CE 4.02Å; L89-I137 HydrophobicContact CD2-CD1 4.17Å
90R89.2Confident82.8Confident94 Ų9461.9 Ų61.936%0.35534%0.336SS..Hα-helixtrans-68.8-41.3175.4-73.5179.8-137.8113.515.4111.9T18 A86 M87 E88 M92 A93 S94T18-R90 HydrophobicContact CG2-CG 4.03Å; A86-R90 VanDerWaalsContact CB-NH2 3.26Å; A86-R90 WeakPolarHBondContact O-CG 3.46Å; A86-R90 PolarHBondContact O-N 3.2Å; A86-R90 PolarHBondContact O-NE 3.02Å; A86-R90 PolarHBondContact O-NH2 3.33Å; M87-R90 PolarHBondContact O-N 2.88Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 2.93Å; R90-M92 VanDerWaalsContact C-N 3.32Å; R90-M92 PolarHBondContact O-N 3.29Å; R90-A93 PolarHBondContact O-N 2.89Å; R90-S94 PolarHBondContact O-N 2.89Å
91H87.1Confident80.8Confident86 Ų8660.8 Ų60.840%0.39834%0.337SS..Hα-helixtrans-57-48.1174.6172.9-117.6000110.3M87 E88 A93 S94 M95M87-H91 PolarHBondContact O-N 3.46Å; E88-H91 WeakPolarHBondContact O-CB 3.37Å; E88-H91 PolarHBondContact O-N 2.98Å; E88-H91 VanDerWaalsContact O-N 3.15Å; E88-H91 IonicContact OE2-ND1 2.69Å; H91-A93 PolarHBondContact O-N 3.42Å; H91-S94 PolarHBondContact O-N 3.03Å; H91-S94 PolarHBondContact O-OG 3.29Å; H91-M95 PolarHBondContact O-N 3.38Å
92M84.9Confident79.5Confident14 Ų1461.8 Ų61.87%0.06934%0.342CS..Hα-helixtrans-60.3-44.7174.1-71.8-174.5-70.400112.3L14 E88 L89 R90 S94 M95 L98 M102 I137L14-M92 HydrophobicContact CD1-CB 3.94Å; L14-M92 HydrophobicContact CD2-CE 4.3Å; E88-M92 HydrophobicContact CG-CE 4.04Å; E88-M92 PolarHBondContact O-N 2.88Å; L89-M92 HydrophobicContact CD2-CE 3.56Å; L89-M92 HydrophobicContact CG-CE 4.42Å; R90-M92 VanDerWaalsContact C-N 3.32Å; R90-M92 PolarHBondContact O-N 3.29Å; M92-S94 PolarHBondContact O-N 3Å; M92-M95 VanDerWaalsContact O-CB 3.28Å; M92-M95 WeakPolarHBondContact O-CB 3.41Å; M92-M95 PolarHBondContact O-N 3.48Å; M92-L98 HydrophobicContact CB-CD2 4.35Å; M92-L98 WeakPolarHBondContact O-CD2 3.49Å; M92-M102 HydrophobicContact SD-CE 4.27Å; M92-I137 HydrophobicContact CE-CD1 4.4Å; M92-I137 HydrophobicContact CE-CG1 4.31Å; M92-I137 HydrophobicContact CE-CG2 3.57Å; M92-I137 HydrophobicContact SD-CG1 4.24Å; M92-I137 HydrophobicContact SD-CG2 3.94Å
93A84.5Confident78.1Confident11 Ų1168.7 Ų68.79%0.09137%0.374CS..Hα-helixtrans-61.5-29.4179.500000113.3K11 L14 L89 R90 H91K11-A93 WeakPolarHBondContact CD-O 3.38Å; K11-A93 VanDerWaalsContact CE-O 3.27Å; K11-A93 WeakPolarHBondContact CE-O 3.38Å; L14-A93 HydrophobicContact CB-CB 4.02Å; L14-A93 HydrophobicContact CD1-CB 4Å; L89-A93 WeakPolarHBondContact O-CB 3.35Å; L89-A93 PolarHBondContact O-N 3.06Å; R90-A93 PolarHBondContact O-N 2.89Å; H91-A93 PolarHBondContact O-N 3.42Å
94S84.3Confident77.1Confident78 Ų7871.6 Ų71.655%0.54538%0.384SS..Hα-helixtrans-77.3-20.7176.477.40000113.6R90 H91 M92 N96R90-S94 PolarHBondContact O-N 2.89Å; H91-S94 PolarHBondContact O-N 3.03Å; H91-S94 PolarHBondContact O-OG 3.29Å; M92-S94 PolarHBondContact O-N 3Å; S94-N96 PolarHBondContact O-N 3.47Å
95M82.1Confident76.4Confident87 Ų8769.8 Ų69.843%0.42937%0.371SS..  trans-67.8122.6-179.2-163.863.169.700110.1H91 M92 K97H91-M95 PolarHBondContact O-N 3.38Å; M92-M95 VanDerWaalsContact O-CB 3.28Å; M92-M95 WeakPolarHBondContact O-CB 3.41Å; M92-M95 PolarHBondContact O-N 3.48Å; M95-K97 PolarHBondContact O-N 2.94Å; M95-K97 VanDerWaalsContact O-N 3.16Å
96N64.3Low76Confident146 Ų14674.2 Ų74.278%0.78140%0.398SS*.THydrogen-bonded Turntrans-66.5-17.7-177.2-76.1-30.4000113.7S94S94-N96 PolarHBondContact O-N 3.47Å
97K64.4Low75.6Confident146 Ų14678.3 Ų78.364%0.63542%0.424SS*.THydrogen-bonded Turntrans-112.550.3-179.2-62.1-176.4-178.6178.90112.4M95 T99 S100M95-K97 PolarHBondContact O-N 2.94Å; M95-K97 VanDerWaalsContact O-N 3.16Å; K97-T99 PolarHBondContact O-N 2.95Å; K97-S100 PolarHBondContact O-N 3.49Å
98L61.6Low75.3Confident20 Ų2072.1 Ų72.111%0.10539%0.393CS..THydrogen-bonded Turntrans-54.1-21.3173.4-84168.1000113.7P10 K11 L14 M92 M102P10-L98 HydrophobicContact CB-CB 4.32Å; P10-L98 HydrophobicContact CB-CD1 4.14Å; K11-L98 HydrophobicContact CB-CD1 4.26Å; K11-L98 HydrophobicContact CD-CD1 4.27Å; K11-L98 HydrophobicContact CG-CD1 3.24Å; L14-L98 HydrophobicContact CD1-CD1 4.06Å; L14-L98 HydrophobicContact CD1-CD2 3.51Å; L14-L98 HydrophobicContact CD1-CG 4.46Å; M92-L98 HydrophobicContact CB-CD2 4.35Å; M92-L98 WeakPolarHBondContact O-CD2 3.49Å; L98-M102 HydrophobicContact CD2-CE 4.08Å; L98-M102 WeakPolarHBondContact O-CG 3.5Å
99T56.6Low75.1Confident130 Ų13071.8 Ų71.880%0.79839%0.392SS*.THydrogen-bonded Turntrans-90.4-10-175.345.80000115.7K97K97-T99 PolarHBondContact O-N 2.95Å
100S56.9Low75.1Confident92 Ų9276.3 Ų76.364%0.64342%0.416SS*.SBendtrans-119.711.3-174.585.20000115.6K97K97-S100 PolarHBondContact O-N 3.49Å
101G53.2Low75.1Confident53 Ų5372.2 Ų72.255%0.54640%0.402SS..  trans16073.1178.200000111.9Q103G101-Q103 VanDerWaalsContact C-N 3.32Å; G101-Q103 PolarHBondContact O-N 3.29Å
102M63.5Low75.2Confident43 Ų4368.1 Ų68.121%0.21238%0.384CS..  trans-60.2106.1161-63.2-169.286.200106.1L14 M92 L98 K104 I137L14-M102 HydrophobicContact CD1-CE 4.2Å; L14-M102 HydrophobicContact CD2-CE 4.02Å; M92-M102 HydrophobicContact SD-CE 4.27Å; L98-M102 HydrophobicContact CD2-CE 4.08Å; L98-M102 WeakPolarHBondContact O-CG 3.5Å; M102-K104 PolarHBondContact O-N 3.36Å; M102-I137 HydrophobicContact CE-CD1 3.73Å; M102-I137 HydrophobicContact CE-CG1 3.18Å; M102-I137 HydrophobicContact SD-CG1 4.04Å
103Q64.9Low75.4Confident145 Ų14568.9 Ų68.968%0.67839%0.391SS*.  trans-65.5123.6178.8-73.8-179.6-27.700107G101 S105G101-Q103 VanDerWaalsContact C-N 3.32Å; G101-Q103 PolarHBondContact O-N 3.29Å; Q103-S105 PolarHBondContact O-N 3.47Å; Q103-S105 VanDerWaalsContact O-N 3.16Å
104K74.2Confident75.5Confident128 Ų12870.3 Ų70.356%0.55740%0.4SS*.  trans-61.9117.3172.7-67.2161.7165.2-169.90107.4M102 I137 E139M102-K104 PolarHBondContact O-N 3.36Å; K104-I137 WeakPolarHBondContact CA-O 3.36Å; K104-E139 HydrophobicContact CB-CG 4.45Å; K104-E139 HydrophobicContact CD-CG 3.6Å; K104-E139 WeakPolarHBondContact CD-OE1 3.32Å; K104-E139 VanDerWaalsContact CE-OE1 3.29Å; K104-E139 WeakPolarHBondContact CE-OE1 3.38Å; K104-E139 HydrophobicContact CG-CG 4.06Å; K104-E139 IonicContact NZ-OE1 2.66Å; K104-E139 PolarHBondContact NZ-OE1 2.9Å
105S78.3Confident75.8Confident11 Ų1166.6 Ų66.68%0.07737%0.374CS..  trans-98.6102.7-175.7-174.60000110E88 Q103 T107 V108 M109 I137E88-S105 VanDerWaalsContact OE1-CB 3.27Å; E88-S105 WeakPolarHBondContact OE1-CB 3.44Å; E88-S105 PolarHBondContact OE1-OG 3.31Å; Q103-S105 PolarHBondContact O-N 3.47Å; Q103-S105 VanDerWaalsContact O-N 3.16Å; S105-T107 PolarHBondContact O-N 2.97Å; S105-V108 PolarHBondContact O-N 3.26Å; S105-V108 VanDerWaalsContact O-N 3.17Å; S105-V108 PolarHBondContact OG-N 2.89Å; S105-M109 PolarHBondContact O-N 3.39Å; S105-I137 PolarHBondContact N-O 2.89Å
106T83.3Confident76.2Confident92 Ų9263.5 Ų63.556%0.56436%0.36SS*.Hα-helixtrans-58.2-34.5173.7-480000111M109 N110T106-M109 WeakPolarHBondContact O-CB 3.09Å; T106-M109 PolarHBondContact O-N 3.33Å; T106-N110 WeakPolarHBondContact O-CB 3.13Å; T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 2.96Å; T106-N110 PolarHBondContact O-ND2 3.48Å
107T83.6Confident77.2Confident87 Ų8761.4 Ų61.453%0.53434%0.344SS..Hα-helixtrans-62.7-46.8175.9-51.40000111.4C84 S105 M109 N110 A111C84-T107 VanDerWaalsContact SG-CG2 3.56Å; S105-T107 PolarHBondContact O-N 2.97Å; T107-M109 VanDerWaalsContact C-N 3.32Å; T107-M109 PolarHBondContact O-N 3.08Å; T107-N110 PolarHBondContact O-N 3.46Å; T107-A111 WeakPolarHBondContact O-CB 3.45Å; T107-A111 PolarHBondContact O-N 2.97Å
108V85.3Confident78.3Confident1 Ų155 Ų551%0.00632%0.316CS..Hα-helixtrans-62-42.9173.7169.20000110.7V85 E88 S105 N110 A111 M112 M132 M138V85-V108 HydrophobicContact CG1-CG1 3.97Å; V85-V108 HydrophobicContact CG1-CG2 4.46Å; V85-V108 HydrophobicContact CG2-CG1 4.29Å; E88-V108 HydrophobicContact CB-CG2 3.46Å; E88-V108 VanDerWaalsContact CB-CG2 3.46Å; E88-V108 HydrophobicContact CG-CG2 3.46Å; E88-V108 VanDerWaalsContact CG-CG2 3.46Å; S105-V108 PolarHBondContact O-N 3.26Å; S105-V108 VanDerWaalsContact O-N 3.17Å; S105-V108 PolarHBondContact OG-N 2.89Å; V108-N110 PolarHBondContact O-N 3.32Å; V108-A111 PolarHBondContact O-N 3.36Å; V108-M112 WeakPolarHBondContact O-CB 3.42Å; V108-M112 PolarHBondContact O-N 2.93Å; V108-M132 HydrophobicContact CG1-CE 4.41Å; V108-M132 HydrophobicContact CG1-SD 3.94Å; V108-M138 HydrophobicContact CG1-CE 4.2Å
109M86.6Confident79.5Confident44 Ų4458.7 Ų58.722%0.21734%0.341CS..Hα-helixtrans-58.2-47.2178.6-175.9177.5174.500112.3S105 T106 T107 M112 S113 M138S105-M109 PolarHBondContact O-N 3.39Å; T106-M109 WeakPolarHBondContact O-CB 3.09Å; T106-M109 PolarHBondContact O-N 3.33Å; T107-M109 VanDerWaalsContact C-N 3.32Å; T107-M109 PolarHBondContact O-N 3.08Å; M109-M112 PolarHBondContact O-N 3.06Å; M109-S113 WeakPolarHBondContact O-CB 3.25Å; M109-S113 PolarHBondContact O-N 2.89Å; M109-M138 HydrophobicContact CB-CE 4.33Å
110N88.6Confident81Confident94 Ų9456.7 Ų56.750%0.50332%0.323SS..Hα-helixtrans-66.9-44.3179.9-69.6-15.5000112.3T106 T107 V108 M112 S114T106-N110 WeakPolarHBondContact O-CB 3.13Å; T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 2.96Å; T106-N110 PolarHBondContact O-ND2 3.48Å; T107-N110 PolarHBondContact O-N 3.46Å; V108-N110 PolarHBondContact O-N 3.32Å; N110-M112 VanDerWaalsContact C-N 3.33Å; N110-S114 PolarHBondContact O-N 3.46Å; N110-S114 VanDerWaalsContact O-N 3.12Å; N110-S114 PolarHBondContact O-OG 3.08Å
111A89.7Confident82.6Confident8 Ų852.3 Ų52.37%0.06629%0.292CS..Hα-helixtrans-61.9-44.2175.400000110.8Q81 V85 T107 V108 S114 L115Q81-A111 HydrophobicContact CB-CB 4.11Å; Q81-A111 HydrophobicContact CG-CB 4.25Å; V85-A111 HydrophobicContact CG2-CB 3.64Å; T107-A111 WeakPolarHBondContact O-CB 3.45Å; T107-A111 PolarHBondContact O-N 2.97Å; V108-A111 PolarHBondContact O-N 3.36Å; A111-S114 WeakPolarHBondContact O-CB 3.44Å; A111-S114 PolarHBondContact O-N 3.27Å; A111-L115 VanDerWaalsContact O-CG 3.26Å; A111-L115 WeakPolarHBondContact O-CG 3.23Å; A111-L115 PolarHBondContact O-N 2.98Å
112M89Confident84.3Confident0 Ų054.4 Ų54.40%029%0.288CS..Hα-helixtrans-65.6-43.2180-160.966.7-175.600112.7V108 M109 N110 S114 L115 V116 M125 L128 M138V108-M112 WeakPolarHBondContact O-CB 3.42Å; V108-M112 PolarHBondContact O-N 2.93Å; M109-M112 PolarHBondContact O-N 3.06Å; N110-M112 VanDerWaalsContact C-N 3.33Å; M112-S114 VanDerWaalsContact C-N 3.25Å; M112-S114 PolarHBondContact O-N 2.9Å; M112-L115 PolarHBondContact O-N 2.96Å; M112-V116 WeakPolarHBondContact O-CG2 3.46Å; M112-V116 PolarHBondContact O-N 3.34Å; M112-M125 VanDerWaalsContact CE-C 3.44Å; M112-M125 HydrophobicContact CE-CB 3.57Å; M112-M125 HydrophobicContact CE-CG 4.19Å; M112-M125 WeakPolarHBondContact CE-O 3.26Å; M112-M125 HydrophobicContact CE-SD 3.64Å; M112-M125 HydrophobicContact SD-CB 4.49Å; M112-M125 HydrophobicContact SD-SD 3.9Å; M112-L128 HydrophobicContact CE-CB 3.67Å; M112-L128 HydrophobicContact CE-CD2 3.84Å; M112-L128 HydrophobicContact CE-CG 3.88Å; M112-L128 HydrophobicContact SD-CD2 4.35Å; M112-M138 HydrophobicContact CB-CE 3.56Å; M112-M138 HydrophobicContact CG-CE 3.73Å
113S88.4Confident85.5Confident31 Ų3156 Ų5622%0.21730%0.304CS..Hα-helixtrans-57.2-41.7174.7178.60000111.3M109 K117M109-S113 WeakPolarHBondContact O-CB 3.25Å; M109-S113 PolarHBondContact O-N 2.89Å; S113-K117 WeakPolarHBondContact O-CG 3.12Å
114S87.7Confident86.8Confident41 Ų4150.9 Ų50.929%0.28728%0.282SS..Hα-helixtrans-67.4-41.4176.3-57.50000112.6Q81 N110 A111 M112 V116 K117 L118Q81-S114 VanDerWaalsContact CD-CB 3.43Å; Q81-S114 PolarHBondContact NE2-OG 3.3Å; Q81-S114 VanDerWaalsContact OE1-CB 3.28Å; N110-S114 PolarHBondContact O-N 3.46Å; N110-S114 VanDerWaalsContact O-N 3.12Å; N110-S114 PolarHBondContact O-OG 3.08Å; A111-S114 WeakPolarHBondContact O-CB 3.44Å; A111-S114 PolarHBondContact O-N 3.27Å; M112-S114 VanDerWaalsContact C-N 3.25Å; M112-S114 PolarHBondContact O-N 2.9Å; S114-V116 PolarHBondContact O-N 2.96Å; S114-K117 WeakPolarHBondContact O-CB 3.24Å; S114-K117 PolarHBondContact O-N 3.26Å; S114-L118 WeakPolarHBondContact O-CD1 3.49Å
115L89.7Confident87.7Confident0 Ų044.8 Ų44.80%026%0.256CS..Hα-helixtrans-67.5-34179.4-69.6172000113.1A78 Q81 I82 A111 M112 K117 L118 L121 M125A78-L115 HydrophobicContact CB-CD2 3.84Å; A78-L115 WeakPolarHBondContact O-CD2 3.33Å; Q81-L115 HydrophobicContact CB-CD1 4.03Å; Q81-L115 HydrophobicContact CB-CD2 3.8Å; Q81-L115 HydrophobicContact CB-CG 3.82Å; I82-L115 HydrophobicContact CD1-CD2 4.48Å; I82-L115 HydrophobicContact CG1-CD1 3.92Å; I82-L115 HydrophobicContact CG1-CD2 3.91Å; A111-L115 VanDerWaalsContact O-CG 3.26Å; A111-L115 WeakPolarHBondContact O-CG 3.23Å; A111-L115 PolarHBondContact O-N 2.98Å; M112-L115 PolarHBondContact O-N 2.96Å; L115-K117 PolarHBondContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 3.1Å; L115-L121 HydrophobicContact CD2-CD1 3.7Å; L115-M125 HydrophobicContact CB-CB 4.42Å; L115-M125 HydrophobicContact CB-CG 3.83Å; L115-M125 HydrophobicContact CB-SD 4.04Å; L115-M125 HydrophobicContact CD1-SD 3.9Å
116V89.9Confident88.3Confident21 Ų2147.8 Ų47.813%0.12727%0.269CS..Hα-helixtrans-64.9-25.1176.1170.10000112M112 S114 L118 Q122 M125 Q126M112-V116 WeakPolarHBondContact O-CG2 3.46Å; M112-V116 PolarHBondContact O-N 3.34Å; S114-V116 PolarHBondContact O-N 2.96Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.39Å; V116-Q122 WeakPolarHBondContact O-CG 3.32Å; V116-M125 HydrophobicContact CG2-CB 3.6Å; V116-Q126 HydrophobicContact CG1-CG 3.75Å; V116-Q126 HydrophobicContact CG2-CG 4.3Å
117K86.1Confident88.7Confident103 Ų10347.4 Ų47.445%0.44826%0.263SS..THydrogen-bonded Turntrans-76.8-12.1177.3-64.3172.9-177.1179.70113.2S113 S114 L115 P119 F146S113-K117 WeakPolarHBondContact O-CG 3.12Å; S114-K117 WeakPolarHBondContact O-CB 3.24Å; S114-K117 PolarHBondContact O-N 3.26Å; L115-K117 PolarHBondContact O-N 3.08Å; K117-P119 WeakPolarHBondContact O-CD 3.39Å; K117-F146 PolarHBondContact NZ-O 3.41Å
118L87.3Confident89Confident12 Ų1243.4 Ų43.46%0.06324%0.238CC..SBendtrans-83.4120.1174.9-8974.5000110.1R74 A78 S114 L115 V116 E120 L121 Q122R74-L118 HydrophobicContact CG-CD1 4.32Å; R74-L118 HydrophobicContact CG-CD2 4.49Å; R74-L118 HydrophobicContact CG-CG 4.42Å; A78-L118 HydrophobicContact CB-CD2 3.35Å; S114-L118 WeakPolarHBondContact O-CD1 3.49Å; L115-L118 PolarHBondContact O-N 3.1Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.39Å; L118-E120 PolarHBondContact O-N 3.21Å; L118-E120 VanDerWaalsContact O-N 3.14Å; L118-L121 HydrophobicContact CB-CB 4.23Å; L118-L121 HydrophobicContact CB-CD1 4.31Å; L118-L121 HydrophobicContact CB-CG 4.31Å; L118-L121 HydrophobicContact CD2-CD1 4.1Å; L118-L121 CarbonylContact O-C 3.16Å; L118-L121 PolarHBondContact O-N 2.98Å; L118-Q122 PolarHBondContact O-N 2.92Å
119P87.6Confident89.2Confident97 Ų9743.8 Ų43.863%0.6324%0.241SC*.THydrogen-bonded Turntrans-53.7-36.5-179.8-2735.3000113.5K117 L121K117-P119 WeakPolarHBondContact O-CD 3.39Å; P119-L121 PolarHBondContact O-N 3.34Å
120E87.3Confident89.4Confident87 Ų8747.1 Ų47.141%0.40725%0.254SS..THydrogen-bonded Turntrans-68.7-23.3-178.7-52.885.4172.500112.7L28 L118L28-E120 HydrophobicContact CD2-CB 4.46Å; L118-E120 PolarHBondContact O-N 3.21Å; L118-E120 VanDerWaalsContact O-N 3.14Å
121L89.7Confident89.4Confident1 Ų146.5 Ų46.51%0.00525%0.248CC..THydrogen-bonded Turntrans-114.4-13.2-174.8-59.3-179.6000113.5Q24 L28 A78 I82 L115 L118 P119 S123 T124 M125Q24-L121 HydrophobicContact CB-CD2 3.91Å; Q24-L121 HydrophobicContact CG-CD2 4.31Å; L28-L121 HydrophobicContact CD1-CD1 3.9Å; L28-L121 HydrophobicContact CD1-CD2 4.18Å; L28-L121 HydrophobicContact CD1-CG 4.47Å; L28-L121 HydrophobicContact CD2-CD1 4.27Å; L28-L121 HydrophobicContact CD2-CD2 4.1Å; L28-L121 HydrophobicContact CD2-CG 4.17Å; L28-L121 HydrophobicContact CG-CD2 4.28Å; A78-L121 HydrophobicContact CB-CD1 4.33Å; I82-L121 HydrophobicContact CD1-CD1 4.17Å; L115-L121 HydrophobicContact CD2-CD1 3.7Å; L118-L121 HydrophobicContact CB-CB 4.23Å; L118-L121 HydrophobicContact CB-CD1 4.31Å; L118-L121 HydrophobicContact CB-CG 4.31Å; L118-L121 HydrophobicContact CD2-CD1 4.1Å; L118-L121 CarbonylContact O-C 3.16Å; L118-L121 PolarHBondContact O-N 2.98Å; P119-L121 PolarHBondContact O-N 3.34Å; L121-S123 PolarHBondContact O-N 3.48Å; L121-T124 PolarHBondContact O-N 3.16Å; L121-T124 VanDerWaalsContact O-N 3.12Å; L121-M125 HydrophobicContact CB-CE 4.48Å; L121-M125 HydrophobicContact CB-CG 3.8Å; L121-M125 HydrophobicContact CD1-CE 4.47Å; L121-M125 HydrophobicContact CD2-CE 4.41Å; L121-M125 WeakPolarHBondContact O-CB 3.5Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.39Å; L121-M125 PolarHBondContact O-N 3.21Å
122Q89Confident89.3Confident96 Ų9646.1 Ų46.145%0.44925%0.245SC..Hα-helixtrans-47.5-55.7-168.5-176.4-179.927.300112.8V116 L118 M125 Q126V116-Q122 WeakPolarHBondContact O-CG 3.32Å; L118-Q122 PolarHBondContact O-N 2.92Å; Q122-M125 PolarHBondContact O-N 3.47Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 WeakPolarHBondContact O-CG 3.43Å; Q122-Q126 PolarHBondContact O-N 3.31Å
123S90.2Very high89.2Confident78 Ų7849 Ų4955%0.54526%0.26SS..Hα-helixtrans-63-47.2-178178.40000112.4L121 M125 Q126 N127L121-S123 PolarHBondContact O-N 3.48Å; S123-M125 VanDerWaalsContact C-N 3.32Å; S123-M125 PolarHBondContact O-N 3.24Å; S123-Q126 PolarHBondContact O-N 2.94Å; S123-N127 PolarHBondContact O-N 3.49Å; S123-N127 VanDerWaalsContact O-N 3.11Å; S123-N127 PolarHBondContact O-ND2 3.45Å; S123-N127 VanDerWaalsContact O-ND2 3.12Å
124T92.1Very high89Confident37 Ų3756.3 Ų56.323%0.22729%0.287CS..Hα-helixtrans-62.2-42.8179.7-55.70000111.2V20 Q24 L121 N127 L128V20-T124 HydrophobicContact CG1-CG2 3.75Å; Q24-T124 HydrophobicContact CG-CG2 3.78Å; L121-T124 PolarHBondContact O-N 3.16Å; L121-T124 VanDerWaalsContact O-N 3.12Å; T124-N127 PolarHBondContact O-N 3.38Å; T124-L128 WeakPolarHBondContact O-CB 3.47Å; T124-L128 PolarHBondContact O-N 2.99Å
125M91.7Very high88.8Confident0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-75-38.6-176.7-63.3-66.1152.900111.2L21 Q24 I82 M112 L115 V116 L121 Q122 S123 N127 L128 S129L21-M125 HydrophobicContact CD2-CE 3.65Å; L21-M125 HydrophobicContact CD2-SD 3.82Å; Q24-M125 HydrophobicContact CB-CE 4.21Å; Q24-M125 HydrophobicContact CG-CE 3.96Å; I82-M125 HydrophobicContact CG1-CE 4.4Å; M112-M125 VanDerWaalsContact CE-C 3.44Å; M112-M125 HydrophobicContact CE-CB 3.57Å; M112-M125 HydrophobicContact CE-CG 4.19Å; M112-M125 WeakPolarHBondContact CE-O 3.26Å; M112-M125 HydrophobicContact CE-SD 3.64Å; M112-M125 HydrophobicContact SD-CB 4.49Å; M112-M125 HydrophobicContact SD-SD 3.9Å; L115-M125 HydrophobicContact CB-CB 4.42Å; L115-M125 HydrophobicContact CB-CG 3.83Å; L115-M125 HydrophobicContact CB-SD 4.04Å; L115-M125 HydrophobicContact CD1-SD 3.9Å; V116-M125 HydrophobicContact CG2-CB 3.6Å; L121-M125 HydrophobicContact CB-CE 4.48Å; L121-M125 HydrophobicContact CB-CG 3.8Å; L121-M125 HydrophobicContact CD1-CE 4.47Å; L121-M125 HydrophobicContact CD2-CE 4.41Å; L121-M125 WeakPolarHBondContact O-CB 3.5Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.39Å; L121-M125 PolarHBondContact O-N 3.21Å; Q122-M125 PolarHBondContact O-N 3.47Å; S123-M125 VanDerWaalsContact C-N 3.32Å; S123-M125 PolarHBondContact O-N 3.24Å; M125-N127 VanDerWaalsContact C-N 3.29Å; M125-N127 PolarHBondContact O-N 2.97Å; M125-L128 PolarHBondContact O-N 2.98Å; M125-L128 HydrophobicContact SD-CD2 4.32Å; M125-S129 VanDerWaalsContact O-CB 3.27Å; M125-S129 WeakPolarHBondContact O-CB 3.31Å; M125-S129 PolarHBondContact O-N 2.88Å
126Q91.3Very high88.5Confident74 Ų7457.6 Ų57.635%0.34630%0.304SS..Hα-helixtrans-59-41.6172.4-75.6174.6-2.400112.2V116 Q122 S123 K130V116-Q126 HydrophobicContact CG1-CG 3.75Å; V116-Q126 HydrophobicContact CG2-CG 4.3Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 WeakPolarHBondContact O-CG 3.43Å; Q122-Q126 PolarHBondContact O-N 3.31Å; S123-Q126 PolarHBondContact O-N 2.94Å; Q126-K130 WeakPolarHBondContact O-CG 3.38Å; Q126-K130 PolarHBondContact O-N 2.91Å; Q126-K130 VanDerWaalsContact O-N 3.12Å
127N91.5Very high88Confident83 Ų8356.6 Ų56.644%0.44430%0.298SS..Hα-helixtrans-66.4-45.9176.9-70.3-31.2000111.6S123 T124 M125 S129 K130 E131S123-N127 PolarHBondContact O-N 3.49Å; S123-N127 VanDerWaalsContact O-N 3.11Å; S123-N127 PolarHBondContact O-ND2 3.45Å; S123-N127 VanDerWaalsContact O-ND2 3.12Å; T124-N127 PolarHBondContact O-N 3.38Å; M125-N127 VanDerWaalsContact C-N 3.29Å; M125-N127 PolarHBondContact O-N 2.97Å; N127-S129 VanDerWaalsContact C-N 3.33Å; N127-S129 PolarHBondContact O-N 3.31Å; N127-K130 WeakPolarHBondContact O-CB 3.45Å; N127-K130 PolarHBondContact O-N 2.93Å; N127-E131 WeakPolarHBondContact O-CG 3.4Å; N127-E131 PolarHBondContact O-N 2.72Å
128L91.2Very high87.6Confident4 Ų452 Ų522%0.02128%0.279CS..Hα-helixtrans-63.4-38.4177.8-17966.7000112.3M17 L21 M112 T124 M125 K130 E131 M132M17-L128 HydrophobicContact CB-CD1 3.71Å; M17-L128 HydrophobicContact CG-CD1 3.6Å; M17-L128 HydrophobicContact SD-CD1 4.4Å; L21-L128 HydrophobicContact CD1-CD2 3.93Å; L21-L128 HydrophobicContact CD2-CD2 3.27Å; L21-L128 HydrophobicContact CG-CD2 3.45Å; L21-L128 VanDerWaalsContact CG-CD2 3.45Å; M112-L128 HydrophobicContact CE-CB 3.67Å; M112-L128 HydrophobicContact CE-CD2 3.84Å; M112-L128 HydrophobicContact CE-CG 3.88Å; M112-L128 HydrophobicContact SD-CD2 4.35Å; T124-L128 WeakPolarHBondContact O-CB 3.47Å; T124-L128 PolarHBondContact O-N 2.99Å; M125-L128 PolarHBondContact O-N 2.98Å; M125-L128 HydrophobicContact SD-CD2 4.32Å; L128-K130 PolarHBondContact O-N 3.33Å; L128-E131 PolarHBondContact O-N 3.14Å; L128-M132 HydrophobicContact CD1-CE 4.03Å; L128-M132 HydrophobicContact CD2-CE 3.78Å; L128-M132 HydrophobicContact CG-CE 3.73Å; L128-M132 HydrophobicContact CG-CG 4.48Å; L128-M132 HydrophobicContact CG-SD 4.26Å; L128-M132 WeakPolarHBondContact O-CB 3.28Å; L128-M132 VanDerWaalsContact O-CG 3.31Å; L128-M132 WeakPolarHBondContact O-CG 3.47Å; L128-M132 PolarHBondContact O-N 3.25Å
129S89Confident87.2Confident9 Ų956 Ų566%0.06330%0.296CS..Hα-helixtrans-60.7-44.7175.2167.60000110.9M125 N127 E131 M132 M133 M138 M141M125-S129 VanDerWaalsContact O-CB 3.27Å; M125-S129 WeakPolarHBondContact O-CB 3.31Å; M125-S129 PolarHBondContact O-N 2.88Å; N127-S129 VanDerWaalsContact C-N 3.33Å; N127-S129 PolarHBondContact O-N 3.31Å; S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 3.04Å; S129-M132 PolarHBondContact O-N 3.43Å; S129-M133 WeakPolarHBondContact O-CB 3.34Å; S129-M133 PolarHBondContact O-N 3.22Å; S129-M138 PolarHBondContact OG-SD 2.97Å; S129-M141 PolarHBondContact OG-SD 3.47Å; S129-M141 VanDerWaalsContact OG-SD 3.39Å
130K89.9Confident86.5Confident114 Ų11458.4 Ų58.450%0.49630%0.299SS..Hα-helixtrans-62-40.6174.3-69.9169.3-173.9172.10112.3Q126 N127 L128 K134Q126-K130 WeakPolarHBondContact O-CG 3.38Å; Q126-K130 PolarHBondContact O-N 2.91Å; Q126-K130 VanDerWaalsContact O-N 3.12Å; N127-K130 WeakPolarHBondContact O-CB 3.45Å; N127-K130 PolarHBondContact O-N 2.93Å; L128-K130 PolarHBondContact O-N 3.33Å; K130-K134 VanDerWaalsContact O-CG 3.29Å; K130-K134 WeakPolarHBondContact O-CG 3.44Å; K130-K134 PolarHBondContact O-N 3.18Å
131E88.5Confident85.5Confident81 Ų8156.9 Ų56.938%0.37929%0.293SS..Hα-helixtrans-66.7-42.1176.3-68.3-174.2174.600111.7H13 M17 N127 L128 S129 M133 K134 A135H13-E131 IonicContact CE1-OE2 3.31Å; M17-E131 VanDerWaalsContact CE-C 3.44Å; M17-E131 HydrophobicContact CE-CB 3.41Å; M17-E131 VanDerWaalsContact CE-CB 3.41Å; N127-E131 WeakPolarHBondContact O-CG 3.4Å; N127-E131 PolarHBondContact O-N 2.72Å; L128-E131 PolarHBondContact O-N 3.14Å; S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 3.04Å; E131-M133 VanDerWaalsContact C-N 3.32Å; E131-M133 PolarHBondContact O-N 3.24Å; E131-K134 PolarHBondContact O-N 3.3Å; E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 3.49Å
132M87.5Confident83.9Confident0 Ų062.6 Ų62.60%032%0.322CS..Hα-helixtrans-62.1-40.2175.7-74.6176.2176.200111.8M17 V85 L89 V108 L128 S129 A135 G136 I137 M138M17-M132 HydrophobicContact CE-CG 4.18Å; M17-M132 HydrophobicContact SD-CG 4.2Å; V85-M132 HydrophobicContact CG1-CE 3.45Å; V85-M132 VanDerWaalsContact CG1-CE 3.45Å; L89-M132 HydrophobicContact CD1-CE 3.77Å; L89-M132 HydrophobicContact CD2-CE 3.72Å; L89-M132 HydrophobicContact CG-CE 4.02Å; V108-M132 HydrophobicContact CG1-CE 4.41Å; V108-M132 HydrophobicContact CG1-SD 3.94Å; L128-M132 HydrophobicContact CD1-CE 4.03Å; L128-M132 HydrophobicContact CD2-CE 3.78Å; L128-M132 HydrophobicContact CG-CE 3.73Å; L128-M132 HydrophobicContact CG-CG 4.48Å; L128-M132 HydrophobicContact CG-SD 4.26Å; L128-M132 WeakPolarHBondContact O-CB 3.28Å; L128-M132 VanDerWaalsContact O-CG 3.31Å; L128-M132 WeakPolarHBondContact O-CG 3.47Å; L128-M132 PolarHBondContact O-N 3.25Å; S129-M132 PolarHBondContact O-N 3.43Å; M132-A135 PolarHBondContact O-N 2.97Å; M132-G136 PolarHBondContact O-N 3.26Å; M132-G136 VanDerWaalsContact O-N 3.14Å; M132-I137 HydrophobicContact CB-CB 4.07Å; M132-I137 HydrophobicContact CB-CD1 4.4Å; M132-I137 HydrophobicContact CB-CG2 4.33Å; M132-I137 HydrophobicContact CG-CB 4.48Å; M132-I137 HydrophobicContact CG-CD1 4.18Å; M132-I137 HydrophobicContact CG-CG2 4.37Å; M132-I137 WeakPolarHBondContact O-CB 3.24Å; M132-I137 PolarHBondContact O-N 3.49Å; M132-M138 HydrophobicContact CB-CB 3.96Å; M132-M138 HydrophobicContact CB-SD 4.46Å; M132-M138 HydrophobicContact SD-CE 4.4Å
133M86.9Confident82.4Confident61 Ų6163.6 Ų63.630%0.334%0.34SS..Hα-helixtrans-63.8-45.6174.9-172.1-172.7-58.700111.9S129 E131 A135 G136 E140S129-M133 WeakPolarHBondContact O-CB 3.34Å; S129-M133 PolarHBondContact O-N 3.22Å; E131-M133 VanDerWaalsContact C-N 3.32Å; E131-M133 PolarHBondContact O-N 3.24Å; M133-A135 VanDerWaalsContact C-N 3.26Å; M133-A135 PolarHBondContact O-N 3.42Å; M133-G136 PolarHBondContact O-N 3.42Å; M133-E140 HydrophobicContact CE-CB 4.31Å; M133-E140 HydrophobicContact CE-CG 3.83Å; M133-E140 HydrophobicContact CG-CG 4.5Å; M133-E140 HydrophobicContact SD-CG 3.48Å; M133-E140 WeakPolarHBondContact SD-CG 3.34Å
134K85.2Confident80.6Confident183 Ų18366.3 Ų66.380%0.79635%0.349SS*.Hα-helixtrans-62.5-32.7175-73.4172.9-176.9179.10113.1K130 E131 G136K130-K134 VanDerWaalsContact O-CG 3.29Å; K130-K134 WeakPolarHBondContact O-CG 3.44Å; K130-K134 PolarHBondContact O-N 3.18Å; E131-K134 PolarHBondContact O-N 3.3Å; K134-G136 VanDerWaalsContact C-N 3.26Å
135A83.3Confident78.4Confident32 Ų3269 Ų6926%0.26437%0.365SS..Hα-helixtrans-76.5-11.8174.800000112.8M17 E131 M132 M133 I137M17-A135 HydrophobicContact CE-CB 4.47Å; E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 3.49Å; M132-A135 PolarHBondContact O-N 2.97Å; M133-A135 VanDerWaalsContact C-N 3.26Å; M133-A135 PolarHBondContact O-N 3.42Å; A135-I137 VanDerWaalsContact C-N 3.34Å; A135-I137 HydrophobicContact CB-CD1 3.72Å; A135-I137 HydrophobicContact CB-CG1 3.91Å
136G82.5Confident76.2Confident37 Ų3777 Ų7738%0.38140%0.4SS..THydrogen-bonded Turntrans77.417.3-175.200000114.1M132 M133 K134M132-G136 PolarHBondContact O-N 3.26Å; M132-G136 VanDerWaalsContact O-N 3.14Å; M133-G136 PolarHBondContact O-N 3.42Å; K134-G136 VanDerWaalsContact C-N 3.26Å
137I80.7Confident74.4Confident0 Ų080.8 Ų80.80%042%0.418CS..SBendtrans-77.9-33.2177.5-64.4165.5000111.4L14 M17 L89 M92 M102 K104 S105 M132 A135L14-I137 HydrophobicContact CD2-CD1 3.41Å; L14-I137 VanDerWaalsContact CD2-CD1 3.41Å; L14-I137 HydrophobicContact CD2-CG1 4.37Å; M17-I137 HydrophobicContact CE-CD1 4.38Å; M17-I137 HydrophobicContact SD-CD1 3.97Å; L89-I137 HydrophobicContact CD2-CD1 4.17Å; M92-I137 HydrophobicContact CE-CD1 4.4Å; M92-I137 HydrophobicContact CE-CG1 4.31Å; M92-I137 HydrophobicContact CE-CG2 3.57Å; M92-I137 HydrophobicContact SD-CG1 4.24Å; M92-I137 HydrophobicContact SD-CG2 3.94Å; M102-I137 HydrophobicContact CE-CD1 3.73Å; M102-I137 HydrophobicContact CE-CG1 3.18Å; M102-I137 HydrophobicContact SD-CG1 4.04Å; K104-I137 WeakPolarHBondContact CA-O 3.36Å; S105-I137 PolarHBondContact N-O 2.89Å; M132-I137 HydrophobicContact CB-CB 4.07Å; M132-I137 HydrophobicContact CB-CD1 4.4Å; M132-I137 HydrophobicContact CB-CG2 4.33Å; M132-I137 HydrophobicContact CG-CB 4.48Å; M132-I137 HydrophobicContact CG-CD1 4.18Å; M132-I137 HydrophobicContact CG-CG2 4.37Å; M132-I137 WeakPolarHBondContact O-CB 3.24Å; M132-I137 PolarHBondContact O-N 3.49Å; A135-I137 VanDerWaalsContact C-N 3.34Å; A135-I137 HydrophobicContact CB-CD1 3.72Å; A135-I137 HydrophobicContact CB-CG1 3.91Å
138M77.8Confident72.2Confident7 Ų779.1 Ų79.13%0.03441%0.412CS..SBendtrans-133140.3-168.2158.3175.9-71.700108.6V108 M109 M112 S129 M132 M141V108-M138 HydrophobicContact CG1-CE 4.2Å; M109-M138 HydrophobicContact CB-CE 4.33Å; M112-M138 HydrophobicContact CB-CE 3.56Å; M112-M138 HydrophobicContact CG-CE 3.73Å; S129-M138 PolarHBondContact OG-SD 2.97Å; M132-M138 HydrophobicContact CB-CB 3.96Å; M132-M138 HydrophobicContact CB-SD 4.46Å; M132-M138 HydrophobicContact SD-CE 4.4Å; M138-M141 HydrophobicContact SD-CG 4.1Å; M138-M141 HydrophobicContact SD-SD 4.18Å
139E77.7Confident70.2Confident94 Ų9487 Ų8744%0.43945%0.452SS..  trans-74.3165.4170.1-64.9-170.9152.100111K104 M141K104-E139 HydrophobicContact CB-CG 4.45Å; K104-E139 HydrophobicContact CD-CG 3.6Å; K104-E139 WeakPolarHBondContact CD-OE1 3.32Å; K104-E139 VanDerWaalsContact CE-OE1 3.29Å; K104-E139 WeakPolarHBondContact CE-OE1 3.38Å; K104-E139 HydrophobicContact CG-CG 4.06Å; K104-E139 IonicContact NZ-OE1 2.66Å; K104-E139 PolarHBondContact NZ-OE1 2.9Å; E139-M141 PolarHBondContact O-N 3.42Å
140E73.8Confident68.2Low148 Ų14889.4 Ų89.469%0.69247%0.469SS*.  trans-52.5120.4167.7-88.7-178.6159.700109.5M133 I142M133-E140 HydrophobicContact CE-CB 4.31Å; M133-E140 HydrophobicContact CE-CG 3.83Å; M133-E140 HydrophobicContact CG-CG 4.5Å; M133-E140 HydrophobicContact SD-CG 3.48Å; M133-E140 WeakPolarHBondContact SD-CG 3.34Å; E140-I142 VanDerWaalsContact C-N 3.32Å; E140-I142 PolarHBondContact O-N 3.37Å
141M65.3Low66.2Low56 Ų5687 Ų8728%0.27647%0.466SS..  trans-64.299.2172.5-77.2-179.544.900107.4S129 M138 E139 S143S129-M141 PolarHBondContact OG-SD 3.47Å; S129-M141 VanDerWaalsContact OG-SD 3.39Å; M138-M141 HydrophobicContact SD-CG 4.1Å; M138-M141 HydrophobicContact SD-SD 4.18Å; E139-M141 PolarHBondContact O-N 3.42Å; M141-S143 PolarHBondContact O-N 3.08Å; M141-S143 VanDerWaalsContact O-N 3.14Å
142I57.6Low64.4Low121 Ų12188.1 Ų88.162%0.62148%0.478SS*.  trans-63.1116.6164.2-55.1176.6000104.5E140 D144E140-I142 VanDerWaalsContact C-N 3.32Å; E140-I142 PolarHBondContact O-N 3.37Å; I142-D144 HydrophobicContact CG2-CB 3.99Å; I142-D144 PolarHBondContact O-N 2.81Å
143S57Low62.8Low117 Ų11791.1 Ų91.182%0.81849%0.492SS*.SBendtrans-63.8-0.9-177.3-1640000113.2M141M141-S143 PolarHBondContact O-N 3.08Å; M141-S143 VanDerWaalsContact O-N 3.14Å
144D52Low61.1Low135 Ų13595 Ų9572%0.72252%0.515SS*.  trans-114.659.9-169.4-58.6-27.8000111.7I142I142-D144 HydrophobicContact CG2-CB 3.99Å; I142-D144 PolarHBondContact O-N 2.81Å
145T46.7Very low59.7Low94 Ų9488.5 Ų88.558%0.57750%0.495SS*.SBendtrans-157.6125156.5-22.70000111.4
146F45.8Very low58.6Low167 Ų16793.5 Ų93.573%0.73252%0.517SS*.  trans80.791.7178.8-63.7-83000116.1K117K117-F146 PolarHBondContact NZ-O 3.41Å
147E52.6Low57.7Low154 Ų15498.3 Ų98.372%0.7253%0.534SS*.  trans-35.8138.6151.6-166.2165.6-16200111I149E147-I149 PolarHBondContact O-N 3.03Å
148P46.2Very low56.9Low48 Ų48102.8 Ų102.831%0.31256%0.558SS.*  trans-54.9134.6-180-14.925.7000109.8S150 S151P148-S150 WeakPolarHBondContact CB-OG 3.44Å; P148-S150 PolarHBondContact O-N 3.32Å; P148-S151 WeakPolarHBondContact O-CB 3.45Å; P148-S151 PolarHBondContact O-N 3.36Å
149I48.9Very low56.6Low168 Ų168104.1 Ų104.186%0.86257%0.566SS**THydrogen-bonded Turntrans-54.6-13.8160.1-83.9166.9000111E147E147-I149 PolarHBondContact O-N 3.03Å
150S46.1Very low56.5Low61 Ų61102.7 Ų102.743%0.42757%0.566SS.*THydrogen-bonded Turntrans-85.4-4.917060.80000116P148 V152 E153P148-S150 WeakPolarHBondContact CB-OG 3.44Å; P148-S150 PolarHBondContact O-N 3.32Å; S150-V152 PolarHBondContact O-N 2.95Å; S150-E153 WeakPolarHBondContact CB-OE2 3.42Å; S150-E153 VanDerWaalsContact O-CB 3.29Å; S150-E153 WeakPolarHBondContact O-CB 3.26Å; S150-E153 PolarHBondContact O-N 2.88Å
151S47.6Very low56.9Low62 Ų6298.5 Ų98.543%0.43456%0.557SS.*THydrogen-bonded Turntrans-73.9-12.3177.8-95.80000113.5P148 E153P148-S151 WeakPolarHBondContact O-CB 3.45Å; P148-S151 PolarHBondContact O-N 3.36Å; S151-E153 PolarHBondContact O-N 3.19Å
152V51.4Low57.7Low105 Ų10598.4 Ų98.464%0.63656%0.556SS**THydrogen-bonded Turntrans-81.5-4.6172.4-164.90000111.3S150 N154 L158S150-V152 PolarHBondContact O-N 2.95Å; V152-N154 PolarHBondContact O-N 3.44Å; V152-L158 HydrophobicContact CG1-CD1 4.22Å
153E53Low58.9Low63 Ų6393.2 Ų93.229%0.29453%0.53SS..THydrogen-bonded Turntrans-84.93.5-167.3-67-162.9107.500116.8K70 S150 S151K70-E153 WeakPolarHBondContact CD-OE1 3.5Å; K70-E153 WeakPolarHBondContact CE-OE1 3.42Å; K70-E153 WeakPolarHBondContact CG-OE1 3.31Å; K70-E153 IonicContact NZ-OE1 3.62Å; K70-E153 PolarHBondContact NZ-OE1 3.26Å; S150-E153 WeakPolarHBondContact CB-OE2 3.42Å; S150-E153 VanDerWaalsContact O-CB 3.29Å; S150-E153 WeakPolarHBondContact O-CB 3.26Å; S150-E153 PolarHBondContact O-N 2.88Å; S151-E153 PolarHBondContact O-N 3.19Å
154N51.5Low60.2Low144 Ų14489 Ų8977%0.7750%0.498SS*.THydrogen-bonded Turntrans-116.616.7-177.4-71.6-23.3000114.6V152 D156V152-N154 PolarHBondContact O-N 3.44Å; N154-D156 PolarHBondContact O-N 3.01Å
155A56.3Low61.8Low46 Ų4686.5 Ų86.538%0.3848%0.481SS..  trans-72.4108162.500000107.5D157 L158 V159A155-D157 PolarHBondContact O-N 2.94Å; A155-L158 HydrophobicContact CB-CB 4.27Å; A155-L158 HydrophobicContact CB-CD1 3.93Å; A155-L158 HydrophobicContact CB-CG 3.9Å; A155-L158 WeakPolarHBondContact O-CB 3.5Å; A155-L158 PolarHBondContact O-N 3.38Å; A155-V159 PolarHBondContact O-N 3.43Å
156D59.6Low63.6Low136 Ų13682.1 Ų82.173%0.72745%0.454SS*.Hα-helixtrans-48.9-32.9179.8-79.2-25.8000112.2N154 V159 S160N154-D156 PolarHBondContact O-N 3.01Å; D156-V159 PolarHBondContact O-N 3.08Å; D156-S160 PolarHBondContact O-N 3.36Å
157D63.8Low65.5Low138 Ų13874.3 Ų74.374%0.73842%0.42SS*.Hα-helixtrans-63.8-40.7175.3-62.5-31.9000113.2A155 V159 S160 A161A155-D157 PolarHBondContact O-N 2.94Å; D157-V159 VanDerWaalsContact C-N 3.34Å; D157-S160 PolarHBondContact O-N 3.02Å; D157-A161 WeakPolarHBondContact O-CB 3.44Å; D157-A161 PolarHBondContact O-N 2.89Å
158L65Low67.1Low95 Ų9571.2 Ų71.250%0.49740%0.401SS..Hα-helixtrans-68.4-36.5176.4-67.5179.1000111.3V152 A155 E162V152-L158 HydrophobicContact CG1-CD1 4.22Å; A155-L158 HydrophobicContact CB-CB 4.27Å; A155-L158 HydrophobicContact CB-CD1 3.93Å; A155-L158 HydrophobicContact CB-CG 3.9Å; A155-L158 WeakPolarHBondContact O-CB 3.5Å; A155-L158 PolarHBondContact O-N 3.38Å; L158-E162 WeakPolarHBondContact O-CB 3.31Å; L158-E162 PolarHBondContact O-N 3.23Å
159V69.9Low69Low34 Ų3473.2 Ų73.221%0.20641%0.409CS..Hα-helixtrans-66.3-45.1175.3179.80000109.9A155 D156 D157 A161 E162 V163A155-V159 PolarHBondContact O-N 3.43Å; D156-V159 PolarHBondContact O-N 3.08Å; D157-V159 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 2.61Å; V159-E162 PolarHBondContact O-N 3.26Å; V159-V163 HydrophobicContact CG1-CG2 4.49Å; V159-V163 VanDerWaalsContact O-CG2 3.24Å; V159-V163 WeakPolarHBondContact O-CG2 3.47Å; V159-V163 PolarHBondContact O-N 3.35Å
160S76.3Confident70.6Confident64 Ų6466.3 Ų66.345%0.44837%0.374SS..Hα-helixtrans-62.9-42.6178-168.20000112.2D156 D157 V163 D164D156-S160 PolarHBondContact O-N 3.36Å; D157-S160 PolarHBondContact O-N 3.02Å; S160-V163 PolarHBondContact O-N 2.86Å; S160-D164 PolarHBondContact O-N 3.31Å
161A82.1Confident72.1Confident60 Ų6063.8 Ų63.850%0.49636%0.356SS..Hα-helixtrans-63.6-42.1177.600000112.2D157 V159 V163 D164 K165D157-A161 WeakPolarHBondContact O-CB 3.44Å; D157-A161 PolarHBondContact O-N 2.89Å; V159-A161 PolarHBondContact O-N 2.61Å; A161-V163 VanDerWaalsContact C-N 3.35Å; A161-D164 PolarHBondContact O-N 3.08Å; A161-K165 WeakPolarHBondContact O-CB 3.12Å; A161-K165 PolarHBondContact O-N 3.45Å
162E81.6Confident73.6Confident54 Ų5465.3 Ų65.325%0.25237%0.373SS..Hα-helixtrans-67-36.3176.2-174.265.7-162.800111.5A66 K69 L158 V159 K165 V166A66-E162 HydrophobicContact CB-CG 3.99Å; K69-E162 IonicContact NZ-OE1 2.97Å; L158-E162 WeakPolarHBondContact O-CB 3.31Å; L158-E162 PolarHBondContact O-N 3.23Å; V159-E162 PolarHBondContact O-N 3.26Å; E162-K165 PolarHBondContact O-N 3.15Å; E162-V166 WeakPolarHBondContact O-CB 3.39Å; E162-V166 VanDerWaalsContact O-CG2 3.26Å; E162-V166 WeakPolarHBondContact O-CG2 3.17Å; E162-V166 PolarHBondContact O-N 2.82Å
163V84.1Confident74.6Confident13 Ų1361.7 Ų61.78%0.07936%0.356CS..Hα-helixtrans-63.1-48174.8168.90000111.4A62 K63 V159 S160 A161 K165 V166 L167A62-V163 HydrophobicContact CB-CG1 3.9Å; K63-V163 HydrophobicContact CB-CG2 3.97Å; K63-V163 HydrophobicContact CG-CG2 4.46Å; V159-V163 HydrophobicContact CG1-CG2 4.49Å; V159-V163 VanDerWaalsContact O-CG2 3.24Å; V159-V163 WeakPolarHBondContact O-CG2 3.47Å; V159-V163 PolarHBondContact O-N 3.35Å; S160-V163 PolarHBondContact O-N 2.86Å; A161-V163 VanDerWaalsContact C-N 3.35Å; V163-K165 VanDerWaalsContact C-N 3.3Å; V163-K165 PolarHBondContact O-N 3.13Å; V163-V166 PolarHBondContact O-N 3.39Å; V163-L167 HydrophobicContact CG1-CD1 4.31Å; V163-L167 WeakPolarHBondContact O-CG 3.12Å; V163-L167 PolarHBondContact O-N 3.33Å
164D84.5Confident75.6Confident28 Ų2865.3 Ų65.315%0.1537%0.373CS..Hα-helixtrans-62.7-39.2178.4-80.3-22.9000111.4S160 A161 L167 W168 K177S160-D164 PolarHBondContact O-N 3.31Å; A161-D164 PolarHBondContact O-N 3.08Å; D164-L167 PolarHBondContact O-N 2.99Å; D164-W168 WeakPolarHBondContact O-CB 3.27Å; D164-W168 PolarHBondContact O-N 3.29Å; D164-K177 HydrophobicContact CB-CB 4.43Å
165K85.8Confident76.5Confident83 Ų8359.4 Ų59.436%0.36134%0.342SS..Hα-helixtrans-63.5-45.2173.8-178.5-176.4175.1-171.90112.4A161 E162 V163 L167 W168 D169A161-K165 WeakPolarHBondContact O-CB 3.12Å; A161-K165 PolarHBondContact O-N 3.45Å; E162-K165 PolarHBondContact O-N 3.15Å; V163-K165 VanDerWaalsContact C-N 3.3Å; V163-K165 PolarHBondContact O-N 3.13Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 3.33Å; K165-W168 WeakPolarHBondContact O-CB 3.23Å; K165-W168 PolarHBondContact O-N 3.45Å; K165-D169 WeakPolarHBondContact O-CB 3.39Å; K165-D169 VanDerWaalsContact O-CG 3.27Å; K165-D169 PolarHBondContact O-N 3.17Å
166V84.4Confident76.9Confident2 Ų258.8 Ų58.81%0.01234%0.34CS..Hα-helixtrans-60.3-42.4176.1164.10000110.9I46 A62 Y65 A66 E162 V163 L170I46-V166 HydrophobicContact CD1-CG1 4.32Å; A62-V166 HydrophobicContact CB-CB 4.46Å; A62-V166 HydrophobicContact CB-CG1 3.92Å; Y65-V166 HydrophobicContact CD1-CB 4.36Å; Y65-V166 HydrophobicContact CD1-CG1 3.41Å; Y65-V166 VanDerWaalsContact CD1-CG1 3.41Å; Y65-V166 HydrophobicContact CD1-CG2 3.92Å; Y65-V166 HydrophobicContact CE1-CG1 4.01Å; Y65-V166 HydrophobicContact CE1-CG2 4.26Å; Y65-V166 HydrophobicContact CG-CG1 4.16Å; A66-V166 HydrophobicContact CB-CG2 4.41Å; E162-V166 WeakPolarHBondContact O-CB 3.39Å; E162-V166 VanDerWaalsContact O-CG2 3.26Å; E162-V166 WeakPolarHBondContact O-CG2 3.17Å; E162-V166 PolarHBondContact O-N 2.82Å; V163-V166 PolarHBondContact O-N 3.39Å; V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.33Å; V166-L170 VanDerWaalsContact O-CB 3.31Å; V166-L170 WeakPolarHBondContact O-CB 3.27Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.39Å; V166-L170 PolarHBondContact O-N 3.23Å
167L84.2Confident77.4Confident2 Ų259.6 Ų59.61%0.0134%0.337CS..Hα-helixtrans-61.3-47.7175.2-73.8172.5000111.1I46 A58 K59 A62 V163 D164 K165 D169 T171 L175I46-L167 HydrophobicContact CG2-CD2 3.97Å; A58-L167 HydrophobicContact CB-CD2 3.85Å; K59-L167 HydrophobicContact CG-CD1 3.91Å; A62-L167 HydrophobicContact CB-CD1 4.44Å; A62-L167 HydrophobicContact CB-CD2 3.73Å; A62-L167 HydrophobicContact CB-CG 3.71Å; V163-L167 HydrophobicContact CG1-CD1 4.31Å; V163-L167 WeakPolarHBondContact O-CG 3.12Å; V163-L167 PolarHBondContact O-N 3.33Å; D164-L167 PolarHBondContact O-N 2.99Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 3.33Å; L167-D169 PolarHBondContact O-N 2.97Å; L167-T171 VanDerWaalsContact O-CB 3.29Å; L167-T171 WeakPolarHBondContact O-CB 3.3Å; L167-T171 VanDerWaalsContact O-CG2 3.3Å; L167-T171 WeakPolarHBondContact O-CG2 3.29Å; L167-T171 PolarHBondContact O-N 2.66Å; L167-T171 PolarHBondContact O-OG1 2.63Å; L167-L175 CarbonylContact C-O 3.6Å; L167-L175 HydrophobicContact CB-CB 4.35Å
168W86.5Confident77.4Confident89 Ų8955.6 Ų55.634%0.33732%0.323SS..Hα-helixtrans-58-50.9179-179.9-91.4000111.8D164 K165 A172 G173 L175 A178 P179D164-W168 WeakPolarHBondContact O-CB 3.27Å; D164-W168 PolarHBondContact O-N 3.29Å; K165-W168 WeakPolarHBondContact O-CB 3.23Å; K165-W168 PolarHBondContact O-N 3.45Å; W168-A172 PolarHBondContact O-N 3.03Å; W168-A172 VanDerWaalsContact O-N 3.16Å; W168-G173 PolarHBondContact O-N 3.49Å; W168-L175 WeakPolarHBondContact CA-O 3.43Å; W168-L175 PolarHBondContact N-O 2.97Å; W168-L175 VanDerWaalsContact N-O 3.08Å; W168-A178 HydrophobicContact CD2-CB 4.15Å; W168-A178 HydrophobicContact CE3-CB 4.12Å; W168-A178 HydrophobicContact CH2-CB 3.81Å; W168-A178 HydrophobicContact CZ2-CB 3.81Å; W168-A178 HydrophobicContact CZ3-CB 3.97Å; W168-P179 VanDerWaalsContact CD1-CD 3.44Å
169D86Confident77.4Confident90 Ų9054.1 Ų54.148%0.48132%0.319SS..Hα-helixtrans-65.4-42.5-176.6-70-15.3000112.1K165 L167K165-D169 WeakPolarHBondContact O-CB 3.39Å; K165-D169 VanDerWaalsContact O-CG 3.27Å; K165-D169 PolarHBondContact O-N 3.17Å; L167-D169 PolarHBondContact O-N 2.97Å
170L83.5Confident77.1Confident23 Ų2361 Ų6112%0.1235%0.349CS..Hα-helixtrans-82-24.2-174.7-66.1-177.2000114.1E43 I46 R47 Y65 V166E43-L170 HydrophobicContact CG-CD2 4.06Å; I46-L170 HydrophobicContact CD1-CD1 3.57Å; I46-L170 HydrophobicContact CG2-CB 4.23Å; I46-L170 HydrophobicContact CG2-CD1 4.43Å; R47-L170 PolarHBondContact NE-O 3.48Å; Y65-L170 HydrophobicContact CD1-CD1 4.19Å; Y65-L170 HydrophobicContact CD2-CD1 4.46Å; Y65-L170 HydrophobicContact CE1-CD1 4.01Å; Y65-L170 HydrophobicContact CE2-CD1 4.33Å; Y65-L170 HydrophobicContact CG-CD1 4.39Å; V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.33Å; V166-L170 VanDerWaalsContact O-CB 3.31Å; V166-L170 WeakPolarHBondContact O-CB 3.27Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.39Å; V166-L170 PolarHBondContact O-N 3.23Å
171T78.2Confident76Confident8 Ų863.8 Ų63.85%0.04937%0.366CS..THydrogen-bonded Turntrans-103.27.8-179.471.30000113.1I46 A50 L167 G173 Q174 L175I46-T171 HydrophobicContact CG2-CG2 3.88Å; A50-T171 HydrophobicContact CB-CG2 3.65Å; L167-T171 VanDerWaalsContact O-CB 3.29Å; L167-T171 WeakPolarHBondContact O-CB 3.3Å; L167-T171 VanDerWaalsContact O-CG2 3.3Å; L167-T171 WeakPolarHBondContact O-CG2 3.29Å; L167-T171 PolarHBondContact O-N 2.66Å; L167-T171 PolarHBondContact O-OG1 2.63Å; T171-G173 PolarHBondContact O-N 3.26Å; T171-Q174 WeakPolarHBondContact O-CB 3.46Å; T171-Q174 WeakPolarHBondContact O-CG 3.48Å; T171-Q174 PolarHBondContact O-N 3.08Å; T171-Q174 PolarHBondContact OG1-N 2.93Å; T171-L175 HydrophobicContact CG2-CB 4.12Å; T171-L175 HydrophobicContact CG2-CD1 4.27Å; T171-L175 PolarHBondContact OG1-N 3.44Å; T171-L175 PolarHBondContact OG1-O 3.13Å
172A78.2Confident74.4Confident95 Ų9565.5 Ų65.579%0.78538%0.38SS*.THydrogen-bonded Turntrans52.341.6-177.900000112.7W168W168-A172 PolarHBondContact O-N 3.03Å; W168-A172 VanDerWaalsContact O-N 3.16Å
173G73.3Confident72.6Confident28 Ų2872.3 Ų72.329%0.28940%0.404SS..THydrogen-bonded Turntrans81.17.5178.900000116.3W168 T171W168-G173 PolarHBondContact O-N 3.49Å; T171-G173 PolarHBondContact O-N 3.26Å
174Q73.6Confident70.8Confident140 Ų14075.8 Ų75.865%0.65442%0.422SS*.SBendtrans-72.8-30.7174.2-67.8179.9-7.800112.9T171T171-Q174 WeakPolarHBondContact O-CB 3.46Å; T171-Q174 WeakPolarHBondContact O-CG 3.48Å; T171-Q174 PolarHBondContact O-N 3.08Å; T171-Q174 PolarHBondContact OG1-N 2.93Å
175L69.8Low69.2Low20 Ų2078.1 Ų78.111%0.10544%0.439CS..SBendtrans-134.6151.6179-70.2178.1000110.7A50 I55 A58 L167 W168 T171A50-L175 HydrophobicContact CB-CD1 3.64Å; A50-L175 HydrophobicContact CB-CG 4.28Å; I55-L175 HydrophobicContact CD1-CD2 4.28Å; I55-L175 HydrophobicContact CG1-CD2 3.84Å; A58-L175 HydrophobicContact CB-CD1 3.87Å; L167-L175 CarbonylContact C-O 3.6Å; L167-L175 HydrophobicContact CB-CB 4.35Å; W168-L175 WeakPolarHBondContact CA-O 3.43Å; W168-L175 PolarHBondContact N-O 2.97Å; W168-L175 VanDerWaalsContact N-O 3.08Å; T171-L175 HydrophobicContact CG2-CB 4.12Å; T171-L175 HydrophobicContact CG2-CD1 4.27Å; T171-L175 PolarHBondContact OG1-N 3.44Å; T171-L175 PolarHBondContact OG1-O 3.13Å
176G65.2Low67.4Low33 Ų3382.2 Ų82.234%0.3446%0.457SS..SBendtrans92171.4-179.300000112.9
177K68.7Low65.1Low153 Ų15387 Ų8767%0.66549%0.491SS*.PPolyproline II helixtrans-93139.9171.6-66.6178.9-179.5176.70108.5D164D164-K177 HydrophobicContact CB-CB 4.43Å
178A65.6Low63Low53 Ų5392.8 Ų92.844%0.43853%0.526SS..PPolyproline II helixtrans-54138.7172.900000109.5W168 E180W168-A178 HydrophobicContact CD2-CB 4.15Å; W168-A178 HydrophobicContact CE3-CB 4.12Å; W168-A178 HydrophobicContact CH2-CB 3.81Å; W168-A178 HydrophobicContact CZ2-CB 3.81Å; W168-A178 HydrophobicContact CZ3-CB 3.97Å; A178-E180 PolarHBondContact O-N 3.22Å; A178-E180 VanDerWaalsContact O-N 3.08Å
179P63.5Low60.6Low65 Ų6593.7 Ų93.742%0.42255%0.546SS..PPolyproline II helixtrans-58.2121174.623.2-31.1000107.9W168W168-P179 VanDerWaalsContact CD1-CD 3.44Å
180E63.4Low58.1Low178 Ų17899.3 Ų99.383%0.83257%0.566SS**PPolyproline II helixtrans-56.6132.2168.5-67.3-17517600107A178 A182A178-E180 PolarHBondContact O-N 3.22Å; A178-E180 VanDerWaalsContact O-N 3.08Å; E180-A182 PolarHBondContact O-N 2.99Å
181P53Low56.1Low123 Ų123102.9 Ų102.980%0.79960%0.599SS**PPolyproline II helixtrans-55.1118.817821.8-30.6000107.2Y183P181-Y183 PolarHBondContact O-N 3.42Å
182A50.3Low54.3Low96 Ų96111.4 Ų111.479%0.79364%0.638SS**PPolyproline II helixtrans-49.8117176.200000107.3E180 D184E180-A182 PolarHBondContact O-N 2.99Å; A182-D184 PolarHBondContact O-N 2.91Å
183Y43.2Very low52Low196 Ų196113.6 Ų113.677%0.76964%0.642SS**  trans-49.9108.3166.4142-95.5000106.4P181 P185P181-Y183 PolarHBondContact O-N 3.42Å; Y183-P185 HydrophobicContact CE1-CB 4.07Å; Y183-P185 HydrophobicContact CE1-CG 4.27Å; Y183-P185 HydrophobicContact CE2-CB 4.31Å; Y183-P185 VanDerWaalsContact O-CD 3.23Å; Y183-P185 WeakPolarHBondContact O-CD 3.43Å; Y183-P185 WeakPolarHBondContact OH-CB 3.44Å
184D45.6Very low50.4Low86 Ų86120.4 Ų120.446%0.4667%0.666SS.*  trans-801131671785.5000105.8A182 F186 S187A182-D184 PolarHBondContact O-N 2.91Å; D184-F186 PolarHBondContact O-N 3.38Å; D184-F186 WeakPolarHBondContact OD1-CB 3.36Å; D184-F186 PolarHBondContact OD1-N 3.4Å; D184-S187 PolarHBondContact O-N 3.09Å
185P51.7Low48.7Very low77 Ų77121 Ų12150%0.567%0.673SS.*THydrogen-bonded Turntrans-58-3.3173.514.8-22.2000113.8Y183Y183-P185 HydrophobicContact CE1-CB 4.07Å; Y183-P185 HydrophobicContact CE1-CG 4.27Å; Y183-P185 HydrophobicContact CE2-CB 4.31Å; Y183-P185 VanDerWaalsContact O-CD 3.23Å; Y183-P185 WeakPolarHBondContact O-CD 3.43Å; Y183-P185 WeakPolarHBondContact OH-CB 3.44Å
186F47.4Very low47Very low169 Ų169124.9 Ų124.974%0.74170%0.702SS**THydrogen-bonded Turntrans-117.66.3-179.6-60.4-77.1000115.7D184 V188D184-F186 PolarHBondContact O-N 3.38Å; D184-F186 WeakPolarHBondContact OD1-CB 3.36Å; D184-F186 PolarHBondContact OD1-N 3.4Å; F186-V188 PolarHBondContact O-N 3.01Å
187S37.2Very low45.6Very low102 Ų102129.3 Ų129.371%0.71372%0.722SS**  trans-85.479178.3-152.10000112.1D184D184-S187 PolarHBondContact O-N 3.09Å
188V39.6Very low43.8Very low124 Ų124129.5 Ų129.575%0.75273%0.73SS**  trans-86126.7166.5-159.90000108.2F186F186-V188 PolarHBondContact O-N 3.01Å
189S34.6Very low42.4Very low109 Ų109132.3 Ų132.376%0.76275%0.746SS**  trans70.7103.2160.8-71.40000119.3
190K35Very low41Very low208 Ų208135.2 Ų135.290%0.90476%0.762SS**  trans-147.265.9132.4-141.1172.5-172.51770111.3
191A40.4Very low39.7Very low98 Ų98134.5 Ų134.581%0.8176%0.759SS**  trans-76.4123.2157.900000107.8T193A191-T193 PolarHBondContact O-N 3.41Å
192Q40.8Very low38.9Very low187 Ų187136 Ų13687%0.87476%0.761SS**  trans-60.8129.5-175.4-78.3157.8-48.200112E194Q192-E194 PolarHBondContact O-N 2.99Å
193T30.5Very low38.6Very low141 Ų141137.1 Ų137.187%0.86575%0.753SS**  trans-54.4109.7162.6-500000111.1A191A191-T193 PolarHBondContact O-N 3.41Å
194E39.9Very low38.7Very low170 Ų170130.8 Ų130.879%0.79475%0.747SS**  trans-144135.6148.1-77.2-164.1151.500109.9Q192Q192-E194 PolarHBondContact O-N 2.99Å
195L37.7Very low39.1Very low153 Ų153134.7 Ų134.780%0.80176%0.763SS**  trans84.2100.7154.7-68.9143.9000119.7
196S33Very low39.6Very low102 Ų102135.5 Ų135.571%0.71377%0.767SS**  97.5102.9114.9-143.80000118.7
197V37.4Very low40.5Very low126 Ų126133.8 Ų133.876%0.76476%0.761SS**  trans78.7107.8133.5-177.70000118.4S199V197-S199 PolarHBondContact O-N 3.26Å
198L30.9Very low41.7Very low157 Ų157135.1 Ų135.182%0.82276%0.757SS**  trans-19.6118.6149-86.169.7000115.2
199S36.1Very low43.1Very low112 Ų112134.2 Ų134.278%0.78375%0.748SS**  trans-140.3109.9133.357.70000108.2V197V197-S199 PolarHBondContact O-N 3.26Å
200V33.1Very low45.1Very low125 Ų125132 Ų13276%0.75874%0.737SS**  trans-75.6122.9175.51720000108.6
201Q36.1Very low47Very low164 Ų164131 Ų13177%0.76673%0.727SS**  trans-169.687.4162.1-101.8156.4-11.300104.5
202D37.2Very low48.6Very low155 Ų155130.3 Ų130.383%0.82971%0.71SS**  56.339.979.6-155.840.4000115.2
203D42.7Very low50.5Low118 Ų118124.3 Ų124.363%0.63169%0.692SS**  trans-137.823.4176.5-78.5-47.2000113.5T206D203-T206 PolarHBondContact O-OG1 3.48Å
204G45.1Very low52.9Low63 Ų63120.9 Ų120.965%0.64968%0.678SS**SBendtrans-92.7-21.4-172.900000116.2
205E54.4Low54.6Low169 Ų169120 Ų12079%0.7968%0.678SS**Hα-helixtrans-84.6-21.9-177.4-65.4-170.415700112.4
206T63.5Low56.3Low94 Ų94123.2 Ų123.258%0.57768%0.679SS**Hα-helixtrans-80-28.2-177.253.60000113.6D203 A210D203-T206 PolarHBondContact O-OG1 3.48Å; T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.32Å; T206-A210 VanDerWaalsContact O-N 3.1Å
207E65.2Low57.8Low133 Ų133125.8 Ų125.862%0.62170%0.697SS**Hα-helixtrans-77.6-29.8-178.3-158.8179.3178.400112.6R211E207-R211 PolarHBondContact O-N 3.08Å
208M62.1Low58.9Low129 Ų129125.8 Ų125.864%0.63569%0.694SS**Hα-helixtrans-72.3-41.1175.2-154.9-143.3-56.700111.5R211 L212M208-R211 PolarHBondContact O-N 2.92Å; M208-L212 WeakPolarHBondContact O-CG 2.9Å; M208-L212 PolarHBondContact O-N 3.16Å; M208-L212 VanDerWaalsContact O-N 3.09Å; M208-L212 HydrophobicContact SD-CD1 4.31Å
209D70Confident60.3Low106 Ų106124.1 Ų124.157%0.56769%0.687SS**Hα-helixtrans-69.7-36.2178-77.3-18.9000112.3R211 L212 A213D209-R211 VanDerWaalsContact C-N 3.34Å; D209-R211 PolarHBondContact O-N 3.37Å; D209-L212 PolarHBondContact O-N 3.29Å; D209-A213 WeakPolarHBondContact O-CB 3.49Å; D209-A213 PolarHBondContact O-N 3.17Å
210A76.8Confident61.7Low63 Ų63124.8 Ų124.852%0.52168%0.682SS.*Hα-helixtrans-63.1-39173.700000112.3T206 A214T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.32Å; T206-A210 VanDerWaalsContact O-N 3.1Å; A210-A214 PolarHBondContact O-N 3.09Å
211R73.6Confident63.4Low186 Ų186124.8 Ų124.870%0.70268%0.677SS**Hα-helixtrans-68.2-35.7174.3-82.4-177.9160-174.7-2.3112.9E207 M208 D209E207-R211 PolarHBondContact O-N 3.08Å; M208-R211 PolarHBondContact O-N 2.92Å; D209-R211 VanDerWaalsContact C-N 3.34Å; D209-R211 PolarHBondContact O-N 3.37Å
212L75.6Confident65.1Low84 Ų84122.3 Ų122.344%0.4467%0.671SS.*Hα-helixtrans-73.8-31.4177.1-74.9169.4000112.9M208 D209M208-L212 WeakPolarHBondContact O-CG 2.9Å; M208-L212 PolarHBondContact O-N 3.16Å; M208-L212 VanDerWaalsContact O-N 3.09Å; M208-L212 HydrophobicContact SD-CD1 4.31Å; D209-L212 PolarHBondContact O-N 3.29Å
213A78.8Confident66.9Low60 Ų60120.1 Ų120.150%0.49666%0.661SS.*Hα-helixtrans-71.5-38.5176.500000112.7D209 L215 R216 S217D209-A213 WeakPolarHBondContact O-CB 3.49Å; D209-A213 PolarHBondContact O-N 3.17Å; A213-L215 PolarHBondContact O-N 3.3Å; A213-R216 PolarHBondContact O-N 3.09Å; A213-S217 PolarHBondContact O-N 3.33Å
214A81.4Confident68.7Low70 Ų70120.3 Ų120.358%0.57966%0.663SS**THydrogen-bonded Turntrans-66.4-16.3177.900000114.3A210A210-A214 PolarHBondContact O-N 3.09Å
215L76.4Confident70.5Confident150 Ų150124.7 Ų124.779%0.78566%0.664SS**THydrogen-bonded Turntrans-95-4.6174.2-75.9163000113.1A213A213-L215 PolarHBondContact O-N 3.3Å
216R73.7Confident71.8Confident222 Ų222121 Ų12184%0.83865%0.654SS**THydrogen-bonded Turntrans-112-1.5-178.6-80.1-176.8172.1154.2-0.7114.3A213A213-R216 PolarHBondContact O-N 3.09Å
217S64.8Low72.6Confident155 Ų155123.5 Ų123.5100%1.08466%0.661SS**  trans-1040169.864.80000111.2A213A213-S217 PolarHBondContact O-N 3.33Å

Retrieved 217 of 217 residues in 61.8 ms (Link to these results)

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