X6R7K4_HUMAN Loading...

Chromosome 1 open reading frame 146

AlphaFold DB , UniProt , Accession X6R7K4, Species HUMAN (Homo sapiens, Human), Gene C1orf146, Length 121 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
1M51.4Low62.6Low226 Ų226107.6 Ų107.6100%1.11357%0.568SS**  0122.80-75.5-171.1109.700107.6
2D61Low64.2Low95 Ų95109.9 Ų109.951%0.50857%0.573SS.*  trans-72.8136.3-176.7-172.711.1000109.8K4 E5 C6D2-K4 PolarHBondContact O-N 3.12Å; D2-K4 VanDerWaalsContact O-N 3.12Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.45Å; D2-C6 PolarHBondContact O-N 3.05Å
3T59.5Low65.9Low109 Ų109108.5 Ų108.567%0.66957%0.565SS**Hα-helixtrans-60.8-26.8-174.1-24.70000111.5L7T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.37Å
4K59.4Low67.3Low151 Ų151109.5 Ų109.566%0.65756%0.563SS**Hα-helixtrans-71.6-36.1176.7-64.4-180180176.20113.2D2 L7 L8D2-K4 PolarHBondContact O-N 3.12Å; D2-K4 VanDerWaalsContact O-N 3.12Å; K4-L7 PolarHBondContact O-N 3.41Å; K4-L8 WeakPolarHBondContact O-CG 3.34Å; K4-L8 PolarHBondContact O-N 3.35Å; K4-L8 VanDerWaalsContact O-N 3.15Å
5E56.3Low68.7Low126 Ų126105.6 Ų105.659%0.58954%0.544SS*.Hα-helixtrans-67.8-37.3178.9-124.8174.9-17600111.6D2 S9D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.45Å; E5-S9 PolarHBondContact O-N 2.76Å
6C57.1Low70.1Confident76 Ų76102.4 Ų102.451%0.51454%0.538SS..Hα-helixtrans-67.7-35.8176.1-170.60000112.7D2 S9 T10D2-C6 PolarHBondContact O-N 3.05Å; C6-S9 PolarHBondContact O-OG 3.17Å; C6-T10 WeakPolarHBondContact O-CB 3.18Å; C6-T10 PolarHBondContact O-N 2.81Å; C6-T10 PolarHBondContact O-OG1 3.15Å
7L61.1Low71.4Confident111 Ų111104 Ų10458%0.58154%0.539SS*.Hα-helixtrans-71.8-39.4178-69.7169.7000111.8T3 K4 T10 E11T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.37Å; K4-L7 PolarHBondContact O-N 3.41Å; L7-T10 PolarHBondContact O-N 3.09Å; L7-E11 PolarHBondContact O-N 3.18Å
8L63.6Low72.5Confident107 Ų10799.4 Ų99.456%0.5652%0.516SS*.Hα-helixtrans-63.1-45.4176.3-71.6169000111.8K4 T10 E11 E12K4-L8 WeakPolarHBondContact O-CG 3.34Å; K4-L8 PolarHBondContact O-N 3.35Å; K4-L8 VanDerWaalsContact O-N 3.15Å; L8-T10 VanDerWaalsContact C-N 3.26Å; L8-T10 PolarHBondContact O-N 3.01Å; L8-E11 PolarHBondContact O-N 3.2Å; L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.19Å; L8-E12 VanDerWaalsContact O-N 3.09Å
9S69.2Low73.6Confident53 Ų5399.5 Ų99.537%0.37151%0.513SS..Hα-helixtrans-64.2-33.817772.40000112.2E5 C6 I13E5-S9 PolarHBondContact O-N 2.76Å; C6-S9 PolarHBondContact O-OG 3.17Å; S9-I13 WeakPolarHBondContact O-CD1 3.25Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.85Å; S9-I13 VanDerWaalsContact O-N 3.11Å
10T73.8Confident74.6Confident56 Ų56102 Ų10234%0.34452%0.52SS..Hα-helixtrans-68.7-44.6176.9-58.40000111.6C6 L7 L8 E12 I13 F14C6-T10 WeakPolarHBondContact O-CB 3.18Å; C6-T10 PolarHBondContact O-N 2.81Å; C6-T10 PolarHBondContact O-OG1 3.15Å; L7-T10 PolarHBondContact O-N 3.09Å; L8-T10 VanDerWaalsContact C-N 3.26Å; L8-T10 PolarHBondContact O-N 3.01Å; T10-E12 VanDerWaalsContact C-N 3.33Å; T10-E12 PolarHBondContact O-N 3.39Å; T10-I13 PolarHBondContact O-N 3.32Å; T10-F14 HydrophobicContact CG2-CD2 3.98Å; T10-F14 HydrophobicContact CG2-CE2 3.67Å; T10-F14 WeakPolarHBondContact O-CD2 3.48Å; T10-F14 PolarHBondContact O-N 2.89Å
11E76Confident75.4Confident74 Ų74101.3 Ų101.335%0.34651%0.514SS..Hα-helixtrans-57.8-45.3174.8-76.7-164.7164.400111.2L7 L8 I13 F14 L15 R47L7-E11 PolarHBondContact O-N 3.18Å; L8-E11 PolarHBondContact O-N 3.2Å; E11-I13 PolarHBondContact O-N 3.41Å; E11-F14 PolarHBondContact O-N 2.89Å; E11-L15 WeakPolarHBondContact O-CG 3.37Å; E11-L15 PolarHBondContact O-N 2.96Å; E11-R47 IonicContact OE1-CZ 3.89Å; E11-R47 IonicContact OE1-NH1 3.03Å; E11-R47 PolarHBondContact OE1-NH1 2.91Å; E11-R47 IonicContact OE1-NH2 3.76Å; E11-R47 IonicContact OE2-CZ 3.65Å; E11-R47 IonicContact OE2-NH1 3.51Å; E11-R47 IonicContact OE2-NH2 2.81Å; E11-R47 PolarHBondContact OE2-NH2 2.95Å
12E81.6Confident77.4Confident135 Ų13591.2 Ų91.263%0.63146%0.464SS*.Hα-helixtrans-62.1-39.8179.2-73.5178.4162.100112.8L8 T10 F14 L15 A16L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.19Å; L8-E12 VanDerWaalsContact O-N 3.09Å; T10-E12 VanDerWaalsContact C-N 3.33Å; T10-E12 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.33Å; E12-L15 PolarHBondContact O-N 3.5Å; E12-A16 WeakPolarHBondContact O-CB 3.34Å; E12-A16 PolarHBondContact O-N 3.19Å
13I87.1Confident78.9Confident91 Ų9192.6 Ų92.647%0.46747%0.472SS..Hα-helixtrans-61.2-42.3175.8-69.8162.6000111.1S9 T10 E11 K17S9-I13 WeakPolarHBondContact O-CD1 3.25Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.85Å; S9-I13 VanDerWaalsContact O-N 3.11Å; T10-I13 PolarHBondContact O-N 3.32Å; E11-I13 PolarHBondContact O-N 3.41Å; I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.22Å; I13-K17 PolarHBondContact O-N 3.03Å; I13-K17 VanDerWaalsContact O-N 3.11Å
14F85.5Confident80.6Confident123 Ų12392.8 Ų92.854%0.53947%0.467SS..Hα-helixtrans-69.3-40.5178.2-78.3-70.7000112T10 E11 E12 A16 K17 I18T10-F14 HydrophobicContact CG2-CD2 3.98Å; T10-F14 HydrophobicContact CG2-CE2 3.67Å; T10-F14 WeakPolarHBondContact O-CD2 3.48Å; T10-F14 PolarHBondContact O-N 2.89Å; E11-F14 PolarHBondContact O-N 2.89Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.33Å; F14-A16 VanDerWaalsContact C-N 3.35Å; F14-A16 PolarHBondContact O-N 3.31Å; F14-K17 WeakPolarHBondContact O-CB 3.38Å; F14-K17 PolarHBondContact O-N 3.08Å; F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 3.19Å
15L88.2Confident82Confident51 Ų5189.5 Ų89.527%0.26745%0.454SS..Hα-helixtrans-60.5-44.2175.7-69.5174.1000111.6E11 E12 K17 I18 E19 F52E11-L15 WeakPolarHBondContact O-CG 3.37Å; E11-L15 PolarHBondContact O-N 2.96Å; E12-L15 PolarHBondContact O-N 3.5Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 2.98Å; L15-E19 WeakPolarHBondContact O-CB 3.44Å; L15-E19 PolarHBondContact O-N 3.43Å; L15-F52 HydrophobicContact CD2-CE2 3.66Å; L15-F52 HydrophobicContact CD2-CZ 3.98Å
16A90.9Very high83.4Confident55 Ų5591.8 Ų91.846%0.45547%0.465SS..Hα-helixtrans-63.1-37.3176.200000112.5E12 F14 E19 K20E12-A16 WeakPolarHBondContact O-CB 3.34Å; E12-A16 PolarHBondContact O-N 3.19Å; F14-A16 VanDerWaalsContact C-N 3.35Å; F14-A16 PolarHBondContact O-N 3.31Å; A16-E19 PolarHBondContact O-N 2.95Å; A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 PolarHBondContact O-N 3.29Å
17K92.1Very high84.9Confident129 Ų12992.1 Ų92.156%0.56146%0.461SS*.Hα-helixtrans-65.9-42.6173.9-75.3175.7179.9178.20112I13 F14 L15 K20 F21I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.22Å; I13-K17 PolarHBondContact O-N 3.03Å; I13-K17 VanDerWaalsContact O-N 3.11Å; F14-K17 WeakPolarHBondContact O-CB 3.38Å; F14-K17 PolarHBondContact O-N 3.08Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.46Å; K17-K20 PolarHBondContact O-N 3.43Å; K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.32Å
18I91.3Very high86.4Confident22 Ų2286.9 Ų86.911%0.11343%0.434CS..Hα-helixtrans-61.8-47.2176.3-67.4163.4000109.5F14 L15 K20 F21 I22 L30 F52 L57F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 3.19Å; L15-I18 PolarHBondContact O-N 2.98Å; I18-K20 PolarHBondContact O-N 3.11Å; I18-F21 WeakPolarHBondContact O-CB 3.41Å; I18-F21 PolarHBondContact O-N 3.32Å; I18-F21 VanDerWaalsContact O-N 3.07Å; I18-I22 HydrophobicContact CG2-CG2 4.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.34Å; I18-I22 WeakPolarHBondContact O-CG2 3.29Å; I18-I22 PolarHBondContact O-N 3.22Å; I18-L30 HydrophobicContact CD1-CD1 4.48Å; I18-L30 HydrophobicContact CD1-CD2 4.01Å; I18-F52 HydrophobicContact CB-CE2 4.16Å; I18-F52 HydrophobicContact CB-CZ 3.9Å; I18-F52 HydrophobicContact CD1-CE2 4.37Å; I18-F52 HydrophobicContact CG2-CD1 4.46Å; I18-F52 HydrophobicContact CG2-CD2 4.08Å; I18-F52 HydrophobicContact CG2-CE1 4.01Å; I18-F52 HydrophobicContact CG2-CE2 3.59Å; I18-F52 HydrophobicContact CG2-CG 4.49Å; I18-F52 HydrophobicContact CG2-CZ 3.55Å; I18-L57 HydrophobicContact CG2-CD1 4.34Å; I18-L57 HydrophobicContact CG2-CD2 3.63Å
19E92.9Very high87.8Confident101 Ų10184.4 Ų84.447%0.47242%0.419SS..Hα-helixtrans-58.3-45.5177.5-174171.8-164.400112.1L15 A16 F21 I22 N23 F52L15-E19 WeakPolarHBondContact O-CB 3.44Å; L15-E19 PolarHBondContact O-N 3.43Å; A16-E19 PolarHBondContact O-N 2.95Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3.44Å; E19-I22 WeakPolarHBondContact O-CG1 3.5Å; E19-N23 VanDerWaalsContact O-CG 3.3Å; E19-N23 PolarHBondContact O-N 3.12Å; E19-N23 PolarHBondContact O-ND2 3.46Å; E19-F52 HydrophobicContact CB-CE1 4.26Å
20K93.9Very high88.9Confident149 Ų14983.7 Ų83.765%0.64841%0.411SS*.Hα-helixtrans-60.2-40.7174.3-174.9176.2179.9177.90112A16 K17 I18 I24A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 PolarHBondContact O-N 3.29Å; K17-K20 PolarHBondContact O-N 3.43Å; I18-K20 PolarHBondContact O-N 3.11Å; K20-I24 HydrophobicContact CG-CD1 4.04Å; K20-I24 WeakPolarHBondContact O-CD1 3.2Å; K20-I24 WeakPolarHBondContact O-CG1 3.37Å; K20-I24 PolarHBondContact O-N 2.98Å
21F92.2Very high89.7Confident87 Ų8783.4 Ų83.438%0.38241%0.408SS..Hα-helixtrans-67.8-46.1-178-174.5-100000112.4K17 I18 E19 N23 I24 H25 S28K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.32Å; I18-F21 WeakPolarHBondContact O-CB 3.41Å; I18-F21 PolarHBondContact O-N 3.32Å; I18-F21 VanDerWaalsContact O-N 3.07Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3.44Å; F21-N23 PolarHBondContact O-N 3.39Å; F21-I24 PolarHBondContact O-N 2.82Å; F21-I24 VanDerWaalsContact O-N 3.1Å; F21-H25 AromaticContact CD2-CD2 3.36Å; F21-H25 WeakPolarHBondContact CD2-CD2 3.45Å; F21-H25 AromaticContact CD2-NE2 3.74Å; F21-H25 AromaticContact CE2-CD2 3.19Å; F21-H25 WeakPolarHBondContact CE2-CD2 3.3Å; F21-H25 AromaticContact CE2-NE2 3.44Å; F21-H25 WeakPolarHBondContact CE2-NE2 3.39Å; F21-H25 AromaticContact CG-CD2 3.92Å; F21-H25 HydrophobicContact CZ-CB 4.48Å; F21-H25 AromaticContact CZ-CD2 3.63Å; F21-H25 PolarHBondContact O-CD2 3.2Å; F21-H25 PolarHBondContact O-N 3.47Å; F21-S28 WeakPolarHBondContact CE1-OG 3.27Å
22I93.4Very high90.3Very high14 Ų1481.3 Ų81.37%0.07240%0.4CS..Hα-helixtrans-64.1-30.3179.762.1172.6000112.7I18 E19 I24 F52 C55 N56 L57I18-I22 HydrophobicContact CG2-CG2 4.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.34Å; I18-I22 WeakPolarHBondContact O-CG2 3.29Å; I18-I22 PolarHBondContact O-N 3.22Å; E19-I22 WeakPolarHBondContact O-CG1 3.5Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.81Å; I22-F52 HydrophobicContact CD1-CD1 3.7Å; I22-F52 HydrophobicContact CD1-CE1 4.03Å; I22-C55 HydrophobicContact CD1-CB 3.98Å; I22-N56 WeakPolarHBondContact CB-OD1 3.39Å; I22-N56 PolarHBondContact O-ND2 2.85Å; I22-N56 PolarHBondContact O-OD1 3.09Å; I22-L57 HydrophobicContact CG2-CB 4Å; I22-L57 HydrophobicContact CG2-CD1 3.98Å; I22-L57 HydrophobicContact CG2-CG 4.43Å
23N92.5Very high90.5Very high125 Ų12579.8 Ų79.867%0.66840%0.404SS*.Hα-helixtrans-73.9-20.2177.8-73.8-30.7000113E19 F21E19-N23 VanDerWaalsContact O-CG 3.3Å; E19-N23 PolarHBondContact O-N 3.12Å; E19-N23 PolarHBondContact O-ND2 3.46Å; F21-N23 PolarHBondContact O-N 3.39Å
24I93.9Very high90.1Very high112 Ų11276.6 Ų76.657%0.57439%0.391SS*.Hα-helixtrans-96.5-36.8-179.4-63.7166.7000111.2K20 F21 I22K20-I24 HydrophobicContact CG-CD1 4.04Å; K20-I24 WeakPolarHBondContact O-CD1 3.2Å; K20-I24 WeakPolarHBondContact O-CG1 3.37Å; K20-I24 PolarHBondContact O-N 2.98Å; F21-I24 PolarHBondContact O-N 2.82Å; F21-I24 VanDerWaalsContact O-N 3.1Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.81Å
25H90.6Very high89.3Confident82 Ų8275.5 Ų75.538%0.3841%0.405SS..  trans-111.5130.8-170.1-62.3-75.6000112.3F21 N27 S28 N56F21-H25 AromaticContact CD2-CD2 3.36Å; F21-H25 WeakPolarHBondContact CD2-CD2 3.45Å; F21-H25 AromaticContact CD2-NE2 3.74Å; F21-H25 AromaticContact CE2-CD2 3.19Å; F21-H25 WeakPolarHBondContact CE2-CD2 3.3Å; F21-H25 AromaticContact CE2-NE2 3.44Å; F21-H25 WeakPolarHBondContact CE2-NE2 3.39Å; F21-H25 AromaticContact CG-CD2 3.92Å; F21-H25 HydrophobicContact CZ-CB 4.48Å; F21-H25 AromaticContact CZ-CD2 3.63Å; F21-H25 PolarHBondContact O-CD2 3.2Å; F21-H25 PolarHBondContact O-N 3.47Å; H25-N27 VanDerWaalsContact C-N 3.33Å; H25-N27 PolarHBondContact O-N 2.83Å; H25-S28 PolarHBondContact O-OG 3.39Å; H25-N56 PolarHBondContact O-ND2 2.86Å
26Q85.8Confident88.2Confident174 Ų17480 Ų8081%0.81343%0.428SS*.SBendtrans-69.4-27.6177.9-69.1-174.42.700114N56Q26-N56 WeakPolarHBondContact CA-ND2 3.34Å; Q26-N56 WeakPolarHBondContact O-CB 3.29Å; Q26-N56 PolarHBondContact O-ND2 2.83Å; Q26-N56 VanDerWaalsContact O-ND2 3.16Å
27N88.6Confident87.3Confident84 Ų8483.9 Ų83.945%0.44944%0.437SS..SBendtrans-125.1102.3177.4-79.4-63.7000108.4H25 F29 R58H25-N27 VanDerWaalsContact C-N 3.33Å; H25-N27 PolarHBondContact O-N 2.83Å; N27-F29 HydrophobicContact CB-CE2 4.28Å; N27-R58 PolarHBondContact OD1-NH1 2.72Å; N27-R58 PolarHBondContact OD1-NH2 3.3Å
28S92.3Very high86.7Confident0 Ų078.7 Ų78.70%042%0.42CS..EExtended strand (participates in β ladder)trans-108.4132-176.4-63.80000111F21 H25 N56 R58F21-S28 WeakPolarHBondContact CE1-OG 3.27Å; H25-S28 PolarHBondContact O-OG 3.39Å; S28-N56 WeakPolarHBondContact CB-O 3.43Å; S28-N56 PolarHBondContact N-O 3.28Å; S28-N56 VanDerWaalsContact N-O 3.09Å; S28-R58 PolarHBondContact O-N 3.16Å
29F92.4Very high86.3Confident55 Ų5583 Ų8324%0.24145%0.449CS..EExtended strand (participates in β ladder)trans-122.8124.7178.1-63.4-87.7000110N27 R58 L60 I75N27-F29 HydrophobicContact CB-CE2 4.28Å; F29-R58 CarbonylContact C-O 3.57Å; F29-R58 WeakPolarHBondContact CA-O 3.44Å; F29-R58 HydrophobicContact CD1-CB 3.78Å; F29-R58 HydrophobicContact CE1-CB 4.07Å; F29-R58 HydrophobicContact CE1-CG 4.39Å; F29-R58 VanDerWaalsContact CZ-NH1 3.34Å; F29-L60 HydrophobicContact CD1-CD1 3.61Å; F29-L60 HydrophobicContact CE1-CD1 4.27Å; F29-L60 HydrophobicContact CG-CD1 4.49Å; F29-I75 HydrophobicContact CB-CD1 4.2Å; F29-I75 HydrophobicContact CD1-CD1 3.84Å; F29-I75 HydrophobicContact CD1-CG1 4.33Å; F29-I75 HydrophobicContact CD2-CD1 4.3Å; F29-I75 HydrophobicContact CD2-CG2 3.89Å; F29-I75 HydrophobicContact CE1-CD1 4.19Å; F29-I75 HydrophobicContact CE1-CG1 4.18Å; F29-I75 HydrophobicContact CE2-CG2 3.57Å; F29-I75 HydrophobicContact CG-CD1 3.87Å; F29-I75 HydrophobicContact CZ-CG1 4.31Å; F29-I75 HydrophobicContact CZ-CG2 3.94Å
30L92Very high85.8Confident39 Ų3986 Ų8620%0.20446%0.463CS..EExtended strand (participates in β ladder)trans-105.1113.8171.5178.665.7000108.5I18 L32 I48 L57 R58 I59 L60I18-L30 HydrophobicContact CD1-CD1 4.48Å; I18-L30 HydrophobicContact CD1-CD2 4.01Å; L30-L32 HydrophobicContact CG-CG 4.48Å; L30-I48 HydrophobicContact CD2-CD1 4.16Å; L30-I48 HydrophobicContact CD2-CG2 4.07Å; L30-L57 HydrophobicContact CB-CD1 3.97Å; L30-R58 PolarHBondContact N-O 3.5Å; L30-I59 HydrophobicContact CD2-CD1 4.48Å; L30-I59 HydrophobicContact CD2-CG1 4.44Å; L30-I59 HydrophobicContact CD2-CG2 4.41Å; L30-I59 WeakPolarHBondContact O-CA 3.41Å; L30-L60 PolarHBondContact O-N 3.45Å
31V91.1Very high85.4Confident49 Ų4979.8 Ų79.830%0.29744%0.437SS..EExtended strand (participates in β ladder)trans-92.6112.6176.2-177.50000108.5L60 V62 L71V31-L60 WeakPolarHBondContact CA-O 3.5Å; V31-V62 HydrophobicContact CG1-CB 4Å; V31-V62 HydrophobicContact CG1-CG2 3.51Å; V31-L71 HydrophobicContact CG1-CD2 4.3Å; V31-L71 HydrophobicContact CG2-CD2 4.06Å
32L88.2Confident85.1Confident30 Ų3083.6 Ų83.616%0.15745%0.449CS..EExtended strand (participates in β ladder)trans-93.2117.2175.9-78.5167.4000108.9L30 L44 M45 I48 I59 L60 P61 V62L30-L32 HydrophobicContact CG-CG 4.48Å; L32-L44 HydrophobicContact CD2-CD2 4.24Å; L32-M45 HydrophobicContact CD1-CG 3.48Å; L32-M45 VanDerWaalsContact CD1-CG 3.48Å; L32-I48 HydrophobicContact CD1-CD1 4.28Å; L32-I48 HydrophobicContact CD2-CD1 4.38Å; L32-I59 HydrophobicContact CD1-CG2 3.31Å; L32-I59 HydrophobicContact CG-CG2 4.02Å; L32-L60 PolarHBondContact N-O 3.27Å; L32-P61 CarbonylContact O-C 3.4Å; L32-V62 PolarHBondContact O-N 2.97Å
33S85.1Confident84.9Confident104 Ų10490.1 Ų90.173%0.72748%0.477SS*.EExtended strand (participates in β ladder)trans-92.9116.3172.6-1720000109.5V62S33-V62 VanDerWaalsContact CA-O 3.29Å; S33-V62 WeakPolarHBondContact CA-O 3.19Å
34A79.6Confident84.5Confident23 Ų2387.5 Ų87.519%0.1946%0.462CS..  trans-125.9124.5175.400000110.1L36 E41 V62 H63A34-L36 PolarHBondContact O-N 3.36Å; A34-E41 HydrophobicContact CB-CG 4.3Å; A34-V62 PolarHBondContact N-O 3.32Å; A34-H63 PolarHBondContact O-ND1 3.1Å
35A69.1Low84.2Confident101 Ų10182.7 Ų82.784%0.83544%0.437SS*.SBendtrans-68.4-21.7-178.700000113.3
36L64Low84.1Confident145 Ų14584.3 Ų84.376%0.75944%0.443SS*.SBendtrans-130.2134-179.1-80.6151.9000109.4A34A34-L36 PolarHBondContact O-N 3.36Å
37H71.8Confident84.2Confident136 Ų13682 Ų8263%0.6343%0.427SS*.  trans-72.9129.4170.4-6462.3000107.6H63H37-H63 AromaticContact CD2-CD2 3.76Å; H37-H63 AromaticContact CD2-CE1 3.74Å; H37-H63 AromaticContact CD2-NE2 3.48Å; H37-H63 PolarHBondContact CD2-NE2 2.96Å; H37-H63 AromaticContact CE1-CD2 3.28Å; H37-H63 PolarHBondContact CE1-CD2 3.06Å; H37-H63 AromaticContact CE1-CE1 3.95Å; H37-H63 AromaticContact CE1-CG 3.2Å; H37-H63 AromaticContact CE1-ND1 3.66Å; H37-H63 AromaticContact CE1-NE2 3.78Å; H37-H63 AromaticContact CG-CE1 3.93Å; H37-H63 AromaticContact ND1-CG 3.77Å; H37-H63 AromaticContact ND1-ND1 3.77Å; H37-H63 AromaticContact NE2-CD2 3.04Å; H37-H63 PolarHBondContact NE2-CD2 3.47Å; H37-H63 AromaticContact NE2-CE1 3.8Å; H37-H63 AromaticContact NE2-CG 3.5Å; H37-H63 AromaticContact NE2-ND1 3.95Å; H37-H63 AromaticContact NE2-NE2 3.29Å; H37-H63 PolarHBondContact NE2-NE2 3.43Å
38G79.8Confident84.2Confident20 Ų2078.8 Ų78.821%0.20641%0.41CS..SBendtrans-175.5169.4-179.400000116.5E40 E41 W42G38-E40 PolarHBondContact O-N 2.87Å; G38-E41 WeakPolarHBondContact O-CB 3.31Å; G38-E41 PolarHBondContact O-N 3.04Å; G38-E41 VanDerWaalsContact O-N 3.12Å; G38-W42 PolarHBondContact O-N 3.41Å
39P83.8Confident84Confident112 Ų11283.1 Ų83.173%0.72743%0.43SS*.Hα-helixtrans-60.9-24.7179.223.9-32.6000112.9K43P39-K43 VanDerWaalsContact O-CB 3.25Å; P39-K43 WeakPolarHBondContact O-CB 3.18Å; P39-K43 PolarHBondContact O-N 2.99Å
40E83.1Confident83.9Confident164 Ų16485.5 Ų85.577%0.76644%0.442SS*.Hα-helixtrans-67.7-38.9175.5-64.7-161.4155.400112.8G38 K43 L44G38-E40 PolarHBondContact O-N 2.87Å; E40-K43 PolarHBondContact O-N 3.42Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å
41E84.7Confident83.8Confident19 Ų1992 Ų929%0.08946%0.464CS..Hα-helixtrans-62.5-48.6174.5177-178.8-15300110.5A34 G38 K43 L44 M45 P61 H63A34-E41 HydrophobicContact CB-CG 4.3Å; G38-E41 WeakPolarHBondContact O-CB 3.31Å; G38-E41 PolarHBondContact O-N 3.04Å; G38-E41 VanDerWaalsContact O-N 3.12Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; E41-L44 PolarHBondContact O-N 2.96Å; E41-M45 HydrophobicContact CG-SD 4.25Å; E41-M45 WeakPolarHBondContact O-CB 3.36Å; E41-M45 WeakPolarHBondContact O-CG 3.46Å; E41-M45 PolarHBondContact O-N 3.5Å; E41-P61 WeakPolarHBondContact OE1-CB 3.44Å; E41-H63 IonicContact OE1-CE1 3.19Å; E41-H63 PolarHBondContact OE1-CE1 3.36Å; E41-H63 IonicContact OE1-ND1 3.96Å; E41-H63 IonicContact OE2-CE1 3.32Å; E41-H63 PolarHBondContact OE2-CE1 3.38Å; E41-H63 VanDerWaalsContact OE2-CE1 3.32Å
42W86Confident83.7Confident168 Ų16890.6 Ų90.664%0.63645%0.454SS*.Hα-helixtrans-60.5-40.7176.2-68.8104.6000112G38 M45 F46G38-W42 PolarHBondContact O-N 3.41Å; W42-M45 PolarHBondContact O-N 3.47Å; W42-F46 WeakPolarHBondContact O-CB 3.04Å; W42-F46 PolarHBondContact O-N 3.22Å
43K87.8Confident83.7Confident151 Ų15195.2 Ų95.266%0.65748%0.478SS*.Hα-helixtrans-63.8-41.3176.7-172.2178.8-178.8-1780111.5P39 E40 E41 R47P39-K43 VanDerWaalsContact O-CB 3.25Å; P39-K43 WeakPolarHBondContact O-CB 3.18Å; P39-K43 PolarHBondContact O-N 2.99Å; E40-K43 PolarHBondContact O-N 3.42Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; K43-R47 WeakPolarHBondContact O-CG 3.5Å; K43-R47 PolarHBondContact O-N 2.89Å
44L85.3Confident83.7Confident69 Ų6994.4 Ų94.436%0.36149%0.486SS..Hα-helixtrans-66.9-48.5175.6179.361.9000111.4L32 E40 E41 F46 R47 I48L32-L44 HydrophobicContact CD2-CD2 4.24Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å; E41-L44 PolarHBondContact O-N 2.96Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 3.19Å; L44-R47 WeakPolarHBondContact O-CB 3.43Å; L44-R47 PolarHBondContact O-N 2.77Å; L44-I48 HydrophobicContact CD1-CD1 4.01Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.47Å
45M86.9Confident84.2Confident11 Ų1195.9 Ų95.95%0.05449%0.494CS..Hα-helixtrans-55.5-47.5175.3-77.5-177.468.800111.1L32 E41 W42 R47 I48 Q49 I59 P61L32-M45 HydrophobicContact CD1-CG 3.48Å; L32-M45 VanDerWaalsContact CD1-CG 3.48Å; E41-M45 HydrophobicContact CG-SD 4.25Å; E41-M45 WeakPolarHBondContact O-CB 3.36Å; E41-M45 WeakPolarHBondContact O-CG 3.46Å; E41-M45 PolarHBondContact O-N 3.5Å; W42-M45 PolarHBondContact O-N 3.47Å; M45-R47 PolarHBondContact O-N 3Å; M45-I48 PolarHBondContact O-N 3.32Å; M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 VanDerWaalsContact O-CG 3.3Å; M45-Q49 WeakPolarHBondContact O-CG 3.47Å; M45-Q49 PolarHBondContact O-N 2.94Å; M45-I59 HydrophobicContact CE-CB 4.42Å; M45-I59 HydrophobicContact CE-CG2 4.11Å; M45-I59 HydrophobicContact CG-CG2 4.13Å; M45-P61 HydrophobicContact CE-CG 4.19Å; M45-P61 HydrophobicContact SD-CB 3.97Å; M45-P61 HydrophobicContact SD-CG 4.07Å
46F88.1Confident85.2Confident117 Ų11794 Ų9451%0.51347%0.47SS..Hα-helixtrans-60.9-45.3177.7-177.7-100000111.6W42 L44 I48 Q49 Q50W42-F46 WeakPolarHBondContact O-CB 3.04Å; W42-F46 PolarHBondContact O-N 3.22Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 3.19Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.25Å; F46-Q49 PolarHBondContact O-N 3.48Å; F46-Q50 HydrophobicContact CD1-CG 3.97Å; F46-Q50 HydrophobicContact CD2-CG 4.32Å; F46-Q50 HydrophobicContact CE1-CG 3.6Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CG-CG 4.32Å; F46-Q50 HydrophobicContact CZ-CG 3.61Å; F46-Q50 WeakPolarHBondContact O-CB 3.11Å; F46-Q50 VanDerWaalsContact O-CG 3.22Å; F46-Q50 WeakPolarHBondContact O-CG 3.48Å; F46-Q50 PolarHBondContact O-N 3.34Å
47R88.9Confident86.6Confident125 Ų12588.4 Ų88.447%0.47244%0.441SS..Hα-helixtrans-56.6-46.7175-79.617867.2-150.40.3111.9E11 K43 L44 M45 R51E11-R47 IonicContact OE1-CZ 3.89Å; E11-R47 IonicContact OE1-NH1 3.03Å; E11-R47 PolarHBondContact OE1-NH1 2.91Å; E11-R47 IonicContact OE1-NH2 3.76Å; E11-R47 IonicContact OE2-CZ 3.65Å; E11-R47 IonicContact OE2-NH1 3.51Å; E11-R47 IonicContact OE2-NH2 2.81Å; E11-R47 PolarHBondContact OE2-NH2 2.95Å; K43-R47 WeakPolarHBondContact O-CG 3.5Å; K43-R47 PolarHBondContact O-N 2.89Å; L44-R47 WeakPolarHBondContact O-CB 3.43Å; L44-R47 PolarHBondContact O-N 2.77Å; M45-R47 PolarHBondContact O-N 3Å; R47-R51 WeakPolarHBondContact O-CB 3.44Å; R47-R51 PolarHBondContact O-N 2.98Å; R47-R51 VanDerWaalsContact O-N 3.08Å
48I88.4Confident87.5Confident16 Ų1687.7 Ų87.78%0.08243%0.432CS..Hα-helixtrans-68.1-43.4-179.4-59.9166.2000110.2L30 L32 L44 M45 F46 Q50 R51 F52 L57 I59L30-I48 HydrophobicContact CD2-CD1 4.16Å; L30-I48 HydrophobicContact CD2-CG2 4.07Å; L32-I48 HydrophobicContact CD1-CD1 4.28Å; L32-I48 HydrophobicContact CD2-CD1 4.38Å; L44-I48 HydrophobicContact CD1-CD1 4.01Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.47Å; M45-I48 PolarHBondContact O-N 3.32Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.25Å; I48-Q50 PolarHBondContact O-N 3.43Å; I48-R51 PolarHBondContact O-N 3.41Å; I48-F52 HydrophobicContact CG2-CD2 3.71Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.32Å; I48-F52 PolarHBondContact O-N 3.26Å; I48-L57 HydrophobicContact CG2-CD2 4.24Å; I48-I59 HydrophobicContact CB-CD1 3.61Å; I48-I59 HydrophobicContact CG2-CD1 3.37Å; I48-I59 HydrophobicContact CG2-CG1 4.49Å
49Q88.4Confident88Confident92 Ų9287.5 Ų87.543%0.4343%0.427SS..Hα-helixtrans-61.1-43176.7-76.3177.5-25.500112.4M45 F46 R51 F52 L53 I59M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 VanDerWaalsContact O-CG 3.3Å; M45-Q49 WeakPolarHBondContact O-CG 3.47Å; M45-Q49 PolarHBondContact O-N 2.94Å; F46-Q49 PolarHBondContact O-N 3.48Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.03Å; Q49-F52 CarbonylContact O-C 3.57Å; Q49-F52 PolarHBondContact O-N 3.07Å; Q49-L53 VanDerWaalsContact O-CA 3.29Å; Q49-L53 WeakPolarHBondContact O-CA 3.38Å; Q49-L53 WeakPolarHBondContact O-CB 3.12Å; Q49-L53 PolarHBondContact O-N 3.38Å; Q49-I59 HydrophobicContact CG-CD1 3.65Å; Q49-I59 HydrophobicContact CG-CG1 4.33Å
50Q90.7Very high88.3Confident105 Ų10584.4 Ų84.449%0.49140%0.404SS..Hα-helixtrans-62.7-38.2175.7-73-65.7-4100111.5F46 I48F46-Q50 HydrophobicContact CD1-CG 3.97Å; F46-Q50 HydrophobicContact CD2-CG 4.32Å; F46-Q50 HydrophobicContact CE1-CG 3.6Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CG-CG 4.32Å; F46-Q50 HydrophobicContact CZ-CG 3.61Å; F46-Q50 WeakPolarHBondContact O-CB 3.11Å; F46-Q50 VanDerWaalsContact O-CG 3.22Å; F46-Q50 WeakPolarHBondContact O-CG 3.48Å; F46-Q50 PolarHBondContact O-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.43Å
51R89.3Confident88.6Confident176 Ų17679 Ų7966%0.66438%0.383SS*.Hα-helixtrans-69.1-38179-175.958174.4157.11.6112.9R47 I48 Q49R47-R51 WeakPolarHBondContact O-CB 3.44Å; R47-R51 PolarHBondContact O-N 2.98Å; R47-R51 VanDerWaalsContact O-N 3.08Å; I48-R51 PolarHBondContact O-N 3.41Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.03Å
52F88.9Confident88.9Confident18 Ų1878.3 Ų78.38%0.07938%0.38CS..THydrogen-bonded Turntrans-109.432.9-178.3-60.5-72.2000112L15 I18 E19 I22 I48 Q49 G54 C55 L57L15-F52 HydrophobicContact CD2-CE2 3.66Å; L15-F52 HydrophobicContact CD2-CZ 3.98Å; I18-F52 HydrophobicContact CB-CE2 4.16Å; I18-F52 HydrophobicContact CB-CZ 3.9Å; I18-F52 HydrophobicContact CD1-CE2 4.37Å; I18-F52 HydrophobicContact CG2-CD1 4.46Å; I18-F52 HydrophobicContact CG2-CD2 4.08Å; I18-F52 HydrophobicContact CG2-CE1 4.01Å; I18-F52 HydrophobicContact CG2-CE2 3.59Å; I18-F52 HydrophobicContact CG2-CG 4.49Å; I18-F52 HydrophobicContact CG2-CZ 3.55Å; E19-F52 HydrophobicContact CB-CE1 4.26Å; I22-F52 HydrophobicContact CD1-CD1 3.7Å; I22-F52 HydrophobicContact CD1-CE1 4.03Å; I48-F52 HydrophobicContact CG2-CD2 3.71Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.32Å; I48-F52 PolarHBondContact O-N 3.26Å; Q49-F52 CarbonylContact O-C 3.57Å; Q49-F52 PolarHBondContact O-N 3.07Å; F52-G54 PolarHBondContact O-N 3.29Å; F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.4Å; F52-C55 PolarHBondContact O-N 3.3Å; F52-L57 HydrophobicContact CB-CD2 3.99Å; F52-L57 HydrophobicContact CD2-CD2 3.78Å; F52-L57 HydrophobicContact CE2-CD2 4.49Å; F52-L57 HydrophobicContact CG-CD2 3.96Å
53L87.8Confident89.1Confident128 Ų12872.7 Ų72.767%0.6736%0.361SS*.THydrogen-bonded Turntrans-64.1127.8-178.2-162.1103.4000109.6Q49 C55Q49-L53 VanDerWaalsContact O-CA 3.29Å; Q49-L53 WeakPolarHBondContact O-CA 3.38Å; Q49-L53 WeakPolarHBondContact O-CB 3.12Å; Q49-L53 PolarHBondContact O-N 3.38Å; L53-C55 PolarHBondContact O-N 3.49Å
54G85.6Confident89.2Confident86 Ų8668.9 Ų68.989%0.88735%0.347SS*.THydrogen-bonded Turntrans79.7-4.1-176.800000114.6F52F52-G54 PolarHBondContact O-N 3.29Å
55C90Very high89.5Confident55 Ų5570.6 Ų70.637%0.37236%0.361SS..SBendtrans-76.2161.8168.3-57.10000110.7I22 F52 L53 L57I22-C55 HydrophobicContact CD1-CB 3.98Å; F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.4Å; F52-C55 PolarHBondContact O-N 3.3Å; L53-C55 PolarHBondContact O-N 3.49Å; C55-L57 PolarHBondContact O-N 3.04Å
56N90.8Very high89.8Confident62 Ų6274.4 Ų74.433%0.33239%0.385SS..SBendtrans-78.432.217861.5-0.7000113.9I22 H25 Q26 S28I22-N56 WeakPolarHBondContact CB-OD1 3.39Å; I22-N56 PolarHBondContact O-ND2 2.85Å; I22-N56 PolarHBondContact O-OD1 3.09Å; H25-N56 PolarHBondContact O-ND2 2.86Å; Q26-N56 WeakPolarHBondContact CA-ND2 3.34Å; Q26-N56 WeakPolarHBondContact O-CB 3.29Å; Q26-N56 PolarHBondContact O-ND2 2.83Å; Q26-N56 VanDerWaalsContact O-ND2 3.16Å; S28-N56 WeakPolarHBondContact CB-O 3.43Å; S28-N56 PolarHBondContact N-O 3.28Å; S28-N56 VanDerWaalsContact N-O 3.09Å
57L92Very high89.9Confident26 Ų2672.3 Ų72.314%0.13638%0.379CS..EExtended strand (participates in β ladder)trans-98.5121.1-178.4-173.265000111.1I18 I22 L30 I48 F52 C55 I59I18-L57 HydrophobicContact CG2-CD1 4.34Å; I18-L57 HydrophobicContact CG2-CD2 3.63Å; I22-L57 HydrophobicContact CG2-CB 4Å; I22-L57 HydrophobicContact CG2-CD1 3.98Å; I22-L57 HydrophobicContact CG2-CG 4.43Å; L30-L57 HydrophobicContact CB-CD1 3.97Å; I48-L57 HydrophobicContact CG2-CD2 4.24Å; F52-L57 HydrophobicContact CB-CD2 3.99Å; F52-L57 HydrophobicContact CD2-CD2 3.78Å; F52-L57 HydrophobicContact CE2-CD2 4.49Å; F52-L57 HydrophobicContact CG-CD2 3.96Å; C55-L57 PolarHBondContact O-N 3.04Å; L57-I59 HydrophobicContact CD2-CG1 4.42Å; L57-I59 HydrophobicContact CG-CG1 4.36Å
58R91.6Very high90.1Very high121 Ų12167.1 Ų67.146%0.45736%0.363SS..EExtended strand (participates in β ladder)trans-106.9119.3172.5-62.7-179.5-171.4114.33109.4N27 S28 F29 L30N27-R58 PolarHBondContact OD1-NH1 2.72Å; N27-R58 PolarHBondContact OD1-NH2 3.3Å; S28-R58 PolarHBondContact O-N 3.16Å; F29-R58 CarbonylContact C-O 3.57Å; F29-R58 WeakPolarHBondContact CA-O 3.44Å; F29-R58 HydrophobicContact CD1-CB 3.78Å; F29-R58 HydrophobicContact CE1-CB 4.07Å; F29-R58 HydrophobicContact CE1-CG 4.39Å; F29-R58 VanDerWaalsContact CZ-NH1 3.34Å; L30-R58 PolarHBondContact N-O 3.5Å
59I90.3Very high90.4Very high17 Ų1770.7 Ų70.79%0.08738%0.381CS..EExtended strand (participates in β ladder)trans-96.2128.6-180-48.4-173.5000109.1L30 L32 M45 I48 Q49 L57L30-I59 HydrophobicContact CD2-CD1 4.48Å; L30-I59 HydrophobicContact CD2-CG1 4.44Å; L30-I59 HydrophobicContact CD2-CG2 4.41Å; L30-I59 WeakPolarHBondContact O-CA 3.41Å; L32-I59 HydrophobicContact CD1-CG2 3.31Å; L32-I59 HydrophobicContact CG-CG2 4.02Å; M45-I59 HydrophobicContact CE-CB 4.42Å; M45-I59 HydrophobicContact CE-CG2 4.11Å; M45-I59 HydrophobicContact CG-CG2 4.13Å; I48-I59 HydrophobicContact CB-CD1 3.61Å; I48-I59 HydrophobicContact CG2-CD1 3.37Å; I48-I59 HydrophobicContact CG2-CG1 4.49Å; Q49-I59 HydrophobicContact CG-CD1 3.65Å; Q49-I59 HydrophobicContact CG-CG1 4.33Å; L57-I59 HydrophobicContact CD2-CG1 4.42Å; L57-I59 HydrophobicContact CG-CG1 4.36Å
60L90.2Very high90.7Very high47 Ų4770.5 Ų70.525%0.24638%0.383CS..EExtended strand (participates in β ladder)trans-127.7114.6-175.2-65.2164.5000109.6F29 L30 V31 L32 L71 I75F29-L60 HydrophobicContact CD1-CD1 3.61Å; F29-L60 HydrophobicContact CE1-CD1 4.27Å; F29-L60 HydrophobicContact CG-CD1 4.49Å; L30-L60 PolarHBondContact O-N 3.45Å; V31-L60 WeakPolarHBondContact CA-O 3.5Å; L32-L60 PolarHBondContact N-O 3.27Å; L60-L71 HydrophobicContact CB-CD2 3.65Å; L60-L71 HydrophobicContact CD1-CD1 3.98Å; L60-L71 HydrophobicContact CD1-CD2 3.87Å; L60-L71 HydrophobicContact CD1-CG 4.16Å; L60-L71 HydrophobicContact CG-CD2 4.32Å; L60-I75 HydrophobicContact CD1-CD1 3.89Å
61P89.9Confident90.9Very high50 Ų5067.4 Ų67.433%0.32537%0.369SS..EExtended strand (participates in β ladder)trans-74.8142.2175.630.5-32.2000110.6L32 E41 M45L32-P61 CarbonylContact O-C 3.4Å; E41-P61 WeakPolarHBondContact OE1-CB 3.44Å; M45-P61 HydrophobicContact CE-CG 4.19Å; M45-P61 HydrophobicContact SD-CB 3.97Å; M45-P61 HydrophobicContact SD-CG 4.07Å
62V90.5Very high91.1Very high5 Ų564.2 Ų64.23%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-141.8137.3178.8175.80000109.4V31 L32 S33 A34 N64 N67 A68 L71V31-V62 HydrophobicContact CG1-CB 4Å; V31-V62 HydrophobicContact CG1-CG2 3.51Å; L32-V62 PolarHBondContact O-N 2.97Å; S33-V62 VanDerWaalsContact CA-O 3.29Å; S33-V62 WeakPolarHBondContact CA-O 3.19Å; A34-V62 PolarHBondContact N-O 3.32Å; V62-N64 WeakPolarHBondContact CG1-O 3.36Å; V62-N67 HydrophobicContact CG1-CB 3.87Å; V62-A68 HydrophobicContact CG1-CB 3.76Å; V62-A68 VanDerWaalsContact CG1-N 3.34Å; V62-L71 HydrophobicContact CG2-CD2 3.55Å
63H89.9Confident91.4Very high50 Ų5066.2 Ų66.223%0.23138%0.379CS..SBendtrans-115.1-6.4-173.6-52.1-63.9000114.1A34 H37 E41A34-H63 PolarHBondContact O-ND1 3.1Å; H37-H63 AromaticContact CD2-CD2 3.76Å; H37-H63 AromaticContact CD2-CE1 3.74Å; H37-H63 AromaticContact CD2-NE2 3.48Å; H37-H63 PolarHBondContact CD2-NE2 2.96Å; H37-H63 AromaticContact CE1-CD2 3.28Å; H37-H63 PolarHBondContact CE1-CD2 3.06Å; H37-H63 AromaticContact CE1-CE1 3.95Å; H37-H63 AromaticContact CE1-CG 3.2Å; H37-H63 AromaticContact CE1-ND1 3.66Å; H37-H63 AromaticContact CE1-NE2 3.78Å; H37-H63 AromaticContact CG-CE1 3.93Å; H37-H63 AromaticContact ND1-CG 3.77Å; H37-H63 AromaticContact ND1-ND1 3.77Å; H37-H63 AromaticContact NE2-CD2 3.04Å; H37-H63 PolarHBondContact NE2-CD2 3.47Å; H37-H63 AromaticContact NE2-CE1 3.8Å; H37-H63 AromaticContact NE2-CG 3.5Å; H37-H63 AromaticContact NE2-ND1 3.95Å; H37-H63 AromaticContact NE2-NE2 3.29Å; H37-H63 PolarHBondContact NE2-NE2 3.43Å; E41-H63 IonicContact OE1-CE1 3.19Å; E41-H63 PolarHBondContact OE1-CE1 3.36Å; E41-H63 IonicContact OE1-ND1 3.96Å; E41-H63 IonicContact OE2-CE1 3.32Å; E41-H63 PolarHBondContact OE2-CE1 3.38Å; E41-H63 VanDerWaalsContact OE2-CE1 3.32Å
64N89.1Confident91.7Very high70 Ų7063.7 Ų63.737%0.37437%0.369SS..SBendtrans-155.3160.7174.668.661.7000110.8V62 V66 N67 A68V62-N64 WeakPolarHBondContact CG1-O 3.36Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 WeakPolarHBondContact OD1-CA 3.39Å; N64-V66 WeakPolarHBondContact OD1-CB 3.44Å; N64-V66 PolarHBondContact OD1-N 3.09Å; N64-N67 PolarHBondContact ND2-ND2 3.26Å; N64-N67 PolarHBondContact ND2-OD1 3.34Å; N64-N67 PolarHBondContact O-N 3.02Å; N64-N67 WeakPolarHBondContact OD1-CB 3.39Å; N64-N67 VanDerWaalsContact OD1-CG 3.3Å; N64-N67 PolarHBondContact OD1-N 3.03Å; N64-N67 PolarHBondContact OD1-OD1 2.94Å; N64-A68 PolarHBondContact O-N 2.93Å
65T91.7Very high92Very high105 Ų10561 Ų6164%0.64433%0.334SS*.Hα-helixtrans-62.4-35-177.5-47.90000112.7A68 I69T65-A68 WeakPolarHBondContact O-CB 3.17Å; T65-A68 PolarHBondContact O-N 3.21Å; T65-I69 HydrophobicContact CG2-CD1 4.05Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.3Å; T65-I69 PolarHBondContact O-N 2.72Å
66V93.4Very high92.1Very high92 Ų9261.3 Ų61.356%0.55834%0.341SS*.Hα-helixtrans-65-43179179.10000110.6N64 A68 I69 N70N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 WeakPolarHBondContact OD1-CA 3.39Å; N64-V66 WeakPolarHBondContact OD1-CB 3.44Å; N64-V66 PolarHBondContact OD1-N 3.09Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.3Å; V66-I69 PolarHBondContact O-N 3.2Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-N70 VanDerWaalsContact O-CG 3.25Å; V66-N70 PolarHBondContact O-N 2.73Å; V66-N70 PolarHBondContact O-ND2 3.34Å
67N91.3Very high92.1Very high73 Ų7365.2 Ų65.239%0.3936%0.355SS..Hα-helixtrans-63.9-38.8174.3-72.33000110.5V62 N64 N70 L71V62-N67 HydrophobicContact CG1-CB 3.87Å; N64-N67 PolarHBondContact ND2-ND2 3.26Å; N64-N67 PolarHBondContact ND2-OD1 3.34Å; N64-N67 PolarHBondContact O-N 3.02Å; N64-N67 WeakPolarHBondContact OD1-CB 3.39Å; N64-N67 VanDerWaalsContact OD1-CG 3.3Å; N64-N67 PolarHBondContact OD1-N 3.03Å; N64-N67 PolarHBondContact OD1-OD1 2.94Å; N67-N70 PolarHBondContact O-N 2.88Å; N67-L71 WeakPolarHBondContact O-CB 3.34Å; N67-L71 PolarHBondContact O-N 3.49Å
68A92.9Very high92Very high16 Ų1666.7 Ų66.713%0.13237%0.365CS..Hα-helixtrans-60.1-49.3175.100000111.1V62 N64 T65 V66 L71 M72V62-A68 HydrophobicContact CG1-CB 3.76Å; V62-A68 VanDerWaalsContact CG1-N 3.34Å; N64-A68 PolarHBondContact O-N 2.93Å; T65-A68 WeakPolarHBondContact O-CB 3.17Å; T65-A68 PolarHBondContact O-N 3.21Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.3Å; A68-L71 WeakPolarHBondContact O-CB 3.27Å; A68-L71 PolarHBondContact O-N 3.32Å; A68-M72 VanDerWaalsContact O-CG 3.27Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 3.33Å
69I94.3Very high91.7Very high90 Ų9064.6 Ų64.646%0.46237%0.365SS..Hα-helixtrans-63.8-47.7-179.8-66.6164.3000110.3T65 V66 L71 M72 C73T65-I69 HydrophobicContact CG2-CD1 4.05Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.3Å; T65-I69 PolarHBondContact O-N 2.72Å; V66-I69 PolarHBondContact O-N 3.2Å; I69-L71 VanDerWaalsContact C-N 3.27Å; I69-L71 PolarHBondContact O-N 3.33Å; I69-M72 PolarHBondContact O-N 2.77Å; I69-C73 WeakPolarHBondContact O-CB 3.26Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 2.93Å; I69-C73 VanDerWaalsContact O-SG 3.36Å
70N95.3Very high91.6Very high89 Ų8965.6 Ų65.648%0.47637%0.374SS..Hα-helixtrans-58.9-41.3177.8-75.5-23.2000111.6V66 N67 C73 T74V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-N70 VanDerWaalsContact O-CG 3.25Å; V66-N70 PolarHBondContact O-N 2.73Å; V66-N70 PolarHBondContact O-ND2 3.34Å; N67-N70 PolarHBondContact O-N 2.88Å; N70-C73 PolarHBondContact O-N 2.87Å; N70-T74 VanDerWaalsContact O-CB 3.32Å; N70-T74 WeakPolarHBondContact O-CB 3.46Å; N70-T74 PolarHBondContact O-N 3.46Å; N70-T74 PolarHBondContact O-OG1 2.9Å
71L94.1Very high91.3Very high39 Ų3970.9 Ų70.920%0.20440%0.395CS..Hα-helixtrans-62.9-49.1176.4-175.965.2000111.4V31 L60 V62 N67 A68 I69 C73 T74 I75V31-L71 HydrophobicContact CG1-CD2 4.3Å; V31-L71 HydrophobicContact CG2-CD2 4.06Å; L60-L71 HydrophobicContact CB-CD2 3.65Å; L60-L71 HydrophobicContact CD1-CD1 3.98Å; L60-L71 HydrophobicContact CD1-CD2 3.87Å; L60-L71 HydrophobicContact CD1-CG 4.16Å; L60-L71 HydrophobicContact CG-CD2 4.32Å; V62-L71 HydrophobicContact CG2-CD2 3.55Å; N67-L71 WeakPolarHBondContact O-CB 3.34Å; N67-L71 PolarHBondContact O-N 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.27Å; A68-L71 PolarHBondContact O-N 3.32Å; I69-L71 VanDerWaalsContact C-N 3.27Å; I69-L71 PolarHBondContact O-N 3.33Å; L71-C73 PolarHBondContact O-N 2.87Å; L71-T74 WeakPolarHBondContact O-CB 3.2Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CG-CD1 4.1Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.91Å
72M94.3Very high91Very high109 Ų10973 Ų7354%0.53741%0.408SS..Hα-helixtrans-59.3-45.3176.8-69.2176.4-167.600111.6A68 I69 T74 I75 A76A68-M72 VanDerWaalsContact O-CG 3.27Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 3.33Å; I69-M72 PolarHBondContact O-N 2.77Å; M72-T74 VanDerWaalsContact C-N 3.29Å; M72-T74 PolarHBondContact O-N 2.87Å; M72-I75 PolarHBondContact O-N 3.45Å; M72-A76 WeakPolarHBondContact O-CB 3.32Å; M72-A76 PolarHBondContact O-N 3.05Å
73C94.7Very high90.7Very high60 Ų6078.1 Ų78.141%0.40543%0.428SS..Hα-helixtrans-61.8-38.1175.3-71.10000112I69 N70 L71 K77I69-C73 WeakPolarHBondContact O-CB 3.26Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 2.93Å; I69-C73 VanDerWaalsContact O-SG 3.36Å; N70-C73 PolarHBondContact O-N 2.87Å; L71-C73 PolarHBondContact O-N 2.87Å; C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.37Å; C73-K77 WeakPolarHBondContact O-CG 3.49Å; C73-K77 PolarHBondContact O-N 3.4Å
74T93.6Very high90.5Very high76 Ų7679.3 Ų79.347%0.46644%0.435SS..Hα-helixtrans-68.4-44.1178.8-60.70000110.9N70 L71 M72 K77 T78N70-T74 VanDerWaalsContact O-CB 3.32Å; N70-T74 WeakPolarHBondContact O-CB 3.46Å; N70-T74 PolarHBondContact O-N 3.46Å; N70-T74 PolarHBondContact O-OG1 2.9Å; L71-T74 WeakPolarHBondContact O-CB 3.2Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.12Å; M72-T74 VanDerWaalsContact C-N 3.29Å; M72-T74 PolarHBondContact O-N 2.87Å; T74-K77 PolarHBondContact O-N 3.41Å; T74-T78 HydrophobicContact CG2-CG2 4.24Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 VanDerWaalsContact O-CG2 3.26Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.12Å; T74-T78 PolarHBondContact O-OG1 2.87Å
75I92.6Very high90.6Very high30 Ų3080.1 Ų80.115%0.15444%0.44CS..Hα-helixtrans-57.9-54.4173.3-67.7165000109F29 L60 L71 M72 K77 T78 T79F29-I75 HydrophobicContact CB-CD1 4.2Å; F29-I75 HydrophobicContact CD1-CD1 3.84Å; F29-I75 HydrophobicContact CD1-CG1 4.33Å; F29-I75 HydrophobicContact CD2-CD1 4.3Å; F29-I75 HydrophobicContact CD2-CG2 3.89Å; F29-I75 HydrophobicContact CE1-CD1 4.19Å; F29-I75 HydrophobicContact CE1-CG1 4.18Å; F29-I75 HydrophobicContact CE2-CG2 3.57Å; F29-I75 HydrophobicContact CG-CD1 3.87Å; F29-I75 HydrophobicContact CZ-CG1 4.31Å; F29-I75 HydrophobicContact CZ-CG2 3.94Å; L60-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CG-CD1 4.1Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.91Å; M72-I75 PolarHBondContact O-N 3.45Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.86Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 VanDerWaalsContact O-OG1 3.05Å; I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å; I75-T79 PolarHBondContact O-N 2.85Å; I75-T79 PolarHBondContact O-OG1 3.27Å
76A92Very high90.6Very high61 Ų6178 Ų7850%0.50443%0.429SS..Hα-helixtrans-56.2-44-179.300000112.8M72 T79 S80M72-A76 WeakPolarHBondContact O-CB 3.32Å; M72-A76 PolarHBondContact O-N 3.05Å; A76-T79 PolarHBondContact O-OG1 2.93Å; A76-S80 WeakPolarHBondContact O-CB 3.34Å; A76-S80 PolarHBondContact O-N 3.24Å; A76-S80 VanDerWaalsContact O-N 3.08Å
77K91.1Very high90.5Very high144 Ų14476.4 Ų76.463%0.62642%0.417SS*.Hα-helixtrans-64.2-49.4177.1-76.3174.5-179.1179.70111.7C73 T74 I75 T79 S80 Y83C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.37Å; C73-K77 WeakPolarHBondContact O-CG 3.49Å; C73-K77 PolarHBondContact O-N 3.4Å; T74-K77 PolarHBondContact O-N 3.41Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.86Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.48Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.48Å; K77-S80 VanDerWaalsContact O-N 3.14Å; K77-S80 PolarHBondContact O-OG 2.86Å; K77-Y83 VanDerWaalsContact O-CB 3.27Å; K77-Y83 WeakPolarHBondContact O-CB 3.41Å
78T88.2Confident90.5Very high57 Ų5775.7 Ų75.735%0.3542%0.417SS..Hα-helixtrans-69.9-31-176.554.60000112.9T74 I75 S80 Y83 I84T74-T78 HydrophobicContact CG2-CG2 4.24Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 VanDerWaalsContact O-CG2 3.26Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.12Å; T74-T78 PolarHBondContact O-OG1 2.87Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 VanDerWaalsContact O-OG1 3.05Å; T78-S80 VanDerWaalsContact C-N 3.32Å; T78-Y83 HydrophobicContact CG2-CE1 4.04Å; T78-I84 WeakPolarHBondContact O-CD1 3.21Å; T78-I84 WeakPolarHBondContact O-CG1 3.47Å
79T87Confident90.6Very high76 Ų7682.6 Ų82.647%0.46644%0.441SS..THydrogen-bonded Turntrans-85.5-4173.661.40000113.1I75 A76 K77I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å; I75-T79 PolarHBondContact O-N 2.85Å; I75-T79 PolarHBondContact O-OG1 3.27Å; A76-T79 PolarHBondContact O-OG1 2.93Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.48Å
80S87.9Confident90.7Very high39 Ų3986.8 Ų86.827%0.27345%0.451SS..SBendtrans-70.7134.7179.275.50000110.6A76 K77 T78 Y83 I84A76-S80 WeakPolarHBondContact O-CB 3.34Å; A76-S80 PolarHBondContact O-N 3.24Å; A76-S80 VanDerWaalsContact O-N 3.08Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.48Å; K77-S80 VanDerWaalsContact O-N 3.14Å; K77-S80 PolarHBondContact O-OG 2.86Å; T78-S80 VanDerWaalsContact C-N 3.32Å; S80-Y83 PolarHBondContact O-N 3.47Å; S80-Y83 VanDerWaalsContact O-N 3.16Å; S80-Y83 VanDerWaalsContact OG-CB 3.27Å; S80-Y83 WeakPolarHBondContact OG-CB 3.48Å; S80-I84 PolarHBondContact O-N 2.76Å; S80-I84 VanDerWaalsContact O-N 3.1Å
81K83Confident90.7Very high158 Ų15888.6 Ų88.669%0.68746%0.458SS*.Hα-helixtrans-48.8-50.6176.9-173.7166.4-176.11680114Y83 I84 D85K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.32Å; K81-I84 PolarHBondContact O-N 3.36Å; K81-D85 WeakPolarHBondContact CG-OD2 3.27Å; K81-D85 WeakPolarHBondContact O-CB 3.27Å; K81-D85 PolarHBondContact O-N 3.28Å
82P84.4Confident90.8Very high93 Ų9392.2 Ų92.260%0.60448%0.476SS*.Hα-helixtrans-63.5-32.7-178.224-34.8000113.5S86P82-S86 WeakPolarHBondContact O-CB 3.42Å; P82-S86 PolarHBondContact O-N 3.1Å
83Y84.4Confident90.9Very high113 Ų11390.2 Ų90.244%0.44347%0.47SS..Hα-helixtrans-72-43.5178.3-173.8-100.8000111.7K77 T78 S80 K81 S86 I87K77-Y83 VanDerWaalsContact O-CB 3.27Å; K77-Y83 WeakPolarHBondContact O-CB 3.41Å; T78-Y83 HydrophobicContact CG2-CE1 4.04Å; S80-Y83 PolarHBondContact O-N 3.47Å; S80-Y83 VanDerWaalsContact O-N 3.16Å; S80-Y83 VanDerWaalsContact OG-CB 3.27Å; S80-Y83 WeakPolarHBondContact OG-CB 3.48Å; K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.32Å; Y83-S86 WeakPolarHBondContact O-CB 3.49Å; Y83-S86 PolarHBondContact O-N 3.03Å; Y83-I87 HydrophobicContact CD1-CD1 3.73Å; Y83-I87 HydrophobicContact CE1-CD1 3.24Å; Y83-I87 HydrophobicContact CE1-CG1 4.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.32Å; Y83-I87 PolarHBondContact O-N 3.18Å
84I86.2Confident91Very high76 Ų7689.7 Ų89.739%0.3947%0.47SS..Hα-helixtrans-60.9-46.2173.9-67.3-62.6000110.8T78 S80 K81 S86 I87 C88T78-I84 WeakPolarHBondContact O-CD1 3.21Å; T78-I84 WeakPolarHBondContact O-CG1 3.47Å; S80-I84 PolarHBondContact O-N 2.76Å; S80-I84 VanDerWaalsContact O-N 3.1Å; K81-I84 PolarHBondContact O-N 3.36Å; I84-S86 VanDerWaalsContact C-N 3.28Å; I84-S86 PolarHBondContact O-N 3.35Å; I84-I87 PolarHBondContact O-N 2.66Å; I84-I87 VanDerWaalsContact O-N 3.16Å; I84-C88 WeakPolarHBondContact O-CB 3.37Å; I84-C88 PolarHBondContact O-N 3.14Å; I84-C88 PolarHBondContact O-SG 2.96Å; I84-C88 VanDerWaalsContact O-SG 3.36Å
85D90.6Very high91.1Very high87 Ų8792.8 Ų92.847%0.46548%0.477SS..Hα-helixtrans-60.2-40.7178.8-69-17.7000111.1K81 C88 Y89K81-D85 WeakPolarHBondContact CG-OD2 3.27Å; K81-D85 WeakPolarHBondContact O-CB 3.27Å; K81-D85 PolarHBondContact O-N 3.28Å; D85-C88 PolarHBondContact O-N 3.08Å; D85-Y89 WeakPolarHBondContact O-CB 3.43Å; D85-Y89 PolarHBondContact O-N 3.33Å
86S91.6Very high91.3Very high61 Ų6193.2 Ų93.243%0.42749%0.486SS..Hα-helixtrans-62.1-44.4175-174.70000112.6P82 Y83 I84 R90P82-S86 WeakPolarHBondContact O-CB 3.42Å; P82-S86 PolarHBondContact O-N 3.1Å; Y83-S86 WeakPolarHBondContact O-CB 3.49Å; Y83-S86 PolarHBondContact O-N 3.03Å; I84-S86 VanDerWaalsContact C-N 3.28Å; I84-S86 PolarHBondContact O-N 3.35Å; S86-R90 VanDerWaalsContact O-CG 3.29Å; S86-R90 WeakPolarHBondContact O-CG 3.08Å; S86-R90 PolarHBondContact O-N 3.42Å
87I90.3Very high91.4Very high58 Ų5897.3 Ų97.330%0.29749%0.489SS..Hα-helixtrans-63.7-49.9176.8-70.6174000110.6Y83 I84 Y89 R90 M91Y83-I87 HydrophobicContact CD1-CD1 3.73Å; Y83-I87 HydrophobicContact CE1-CD1 3.24Å; Y83-I87 HydrophobicContact CE1-CG1 4.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.32Å; Y83-I87 PolarHBondContact O-N 3.18Å; I84-I87 PolarHBondContact O-N 2.66Å; I84-I87 VanDerWaalsContact O-N 3.16Å; I87-Y89 VanDerWaalsContact C-N 3.32Å; I87-Y89 PolarHBondContact O-N 3.16Å; I87-R90 PolarHBondContact O-N 3Å; I87-M91 HydrophobicContact CG2-CG 4.36Å; I87-M91 HydrophobicContact CG2-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.22Å
88C92Very high91.5Very high57 Ų5795.9 Ų95.939%0.38549%0.487SS..Hα-helixtrans-57.8-46.4178.9-73.40000111I84 D85 R90 M91 I92I84-C88 WeakPolarHBondContact O-CB 3.37Å; I84-C88 PolarHBondContact O-N 3.14Å; I84-C88 PolarHBondContact O-SG 2.96Å; I84-C88 VanDerWaalsContact O-SG 3.36Å; D85-C88 PolarHBondContact O-N 3.08Å; C88-R90 PolarHBondContact O-N 3.08Å; C88-M91 PolarHBondContact O-N 3.41Å; C88-I92 WeakPolarHBondContact O-CB 3.19Å; C88-I92 VanDerWaalsContact O-CG1 3.22Å; C88-I92 WeakPolarHBondContact O-CG1 3.41Å; C88-I92 PolarHBondContact O-N 3.45Å
89Y95.6Very high91.6Very high162 Ų16296 Ų9664%0.63549%0.485SS*.Hα-helixtrans-56.7-49.7175.8176.9-101000111.4D85 I87 M91 I92 T93D85-Y89 WeakPolarHBondContact O-CB 3.43Å; D85-Y89 PolarHBondContact O-N 3.33Å; I87-Y89 VanDerWaalsContact C-N 3.32Å; I87-Y89 PolarHBondContact O-N 3.16Å; Y89-M91 VanDerWaalsContact C-N 3.33Å; Y89-M91 PolarHBondContact O-N 3.36Å; Y89-I92 PolarHBondContact O-N 3.46Å; Y89-T93 WeakPolarHBondContact O-CB 3.46Å; Y89-T93 PolarHBondContact O-N 3.07Å; Y89-T93 PolarHBondContact O-OG1 3.49Å
90R95.4Very high91.8Very high177 Ų17798.4 Ų98.467%0.66849%0.491SS*.Hα-helixtrans-61.2-40.4178.2-72.1174.666.6-163.5-0.1112.5S86 I87 C88 A94S86-R90 VanDerWaalsContact O-CG 3.29Å; S86-R90 WeakPolarHBondContact O-CG 3.08Å; S86-R90 PolarHBondContact O-N 3.42Å; I87-R90 PolarHBondContact O-N 3Å; C88-R90 PolarHBondContact O-N 3.08Å; R90-A94 VanDerWaalsContact O-CB 3.3Å; R90-A94 WeakPolarHBondContact O-CB 3.3Å; R90-A94 PolarHBondContact O-N 3.13Å
91M96.3Very high91.9Very high128 Ų128101.3 Ų101.363%0.63150%0.5SS*.Hα-helixtrans-66.2-42.6176.9-72.6178.875.400112I87 C88 Y89 A94 K95I87-M91 HydrophobicContact CG2-CG 4.36Å; I87-M91 HydrophobicContact CG2-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.22Å; C88-M91 PolarHBondContact O-N 3.41Å; Y89-M91 VanDerWaalsContact C-N 3.33Å; Y89-M91 PolarHBondContact O-N 3.36Å; M91-A94 PolarHBondContact O-N 2.95Å; M91-K95 VanDerWaalsContact O-CB 3.31Å; M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.3Å
92I96.4Very high92.4Very high115 Ų11595.2 Ų95.259%0.5948%0.477SS*.Hα-helixtrans-62.6-47.4176.9-68.7165.2000109.9C88 Y89 A94 K95 A96C88-I92 WeakPolarHBondContact O-CB 3.19Å; C88-I92 VanDerWaalsContact O-CG1 3.22Å; C88-I92 WeakPolarHBondContact O-CG1 3.41Å; C88-I92 PolarHBondContact O-N 3.45Å; Y89-I92 PolarHBondContact O-N 3.46Å; I92-A94 PolarHBondContact O-N 3.09Å; I92-K95 PolarHBondContact O-N 3.34Å; I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 3.45Å
93T96.5Very high92.6Very high67 Ų6795.4 Ų95.441%0.41148%0.478SS..Hα-helixtrans-61.5-44.5177.5-59.40000111.7Y89 K95 A96 Y97Y89-T93 WeakPolarHBondContact O-CB 3.46Å; Y89-T93 PolarHBondContact O-N 3.07Å; Y89-T93 PolarHBondContact O-OG1 3.49Å; T93-K95 PolarHBondContact O-N 2.89Å; T93-A96 PolarHBondContact O-N 3.4Å; T93-Y97 WeakPolarHBondContact O-CB 3.31Å; T93-Y97 PolarHBondContact O-N 2.87Å
94A96.8Very high92.9Very high49 Ų4994.7 Ų94.741%0.40549%0.486SS..Hα-helixtrans-62.7-43176.400000111.8R90 M91 I92 Y97 I98R90-A94 VanDerWaalsContact O-CB 3.3Å; R90-A94 WeakPolarHBondContact O-CB 3.3Å; R90-A94 PolarHBondContact O-N 3.13Å; M91-A94 PolarHBondContact O-N 2.95Å; I92-A94 PolarHBondContact O-N 3.09Å; A94-Y97 PolarHBondContact O-N 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.27Å; A94-I98 PolarHBondContact O-N 3.17Å
95K95.8Very high93Very high140 Ų14097.4 Ų97.461%0.60949%0.491SS*.Hα-helixtrans-60.5-47.1175.4-179.6-175.9175.3-175.90111.3M91 I92 T93 I98 I99M91-K95 VanDerWaalsContact O-CB 3.31Å; M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.3Å; I92-K95 PolarHBondContact O-N 3.34Å; T93-K95 PolarHBondContact O-N 2.89Å; K95-I98 PolarHBondContact O-N 2.99Å; K95-I99 HydrophobicContact CD-CD1 4.49Å; K95-I99 HydrophobicContact CG-CD1 3.85Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3.37Å; K95-I99 PolarHBondContact O-N 3.33Å
96A95Very high92.8Very high40 Ų4097.8 Ų97.833%0.33149%0.489SS..Hα-helixtrans-59.1-47.9177.900000111I92 T93 I98 I99 E100I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 3.45Å; T93-A96 PolarHBondContact O-N 3.4Å; A96-I98 PolarHBondContact O-N 2.94Å; A96-I99 PolarHBondContact O-N 3.41Å; A96-I99 VanDerWaalsContact O-N 3.17Å; A96-E100 WeakPolarHBondContact O-CB 3.31Å; A96-E100 WeakPolarHBondContact O-CG 3.4Å; A96-E100 PolarHBondContact O-N 3.43Å
97Y95.1Very high92.7Very high147 Ų14798.7 Ų98.758%0.57649%0.492SS*.Hα-helixtrans-58.5-45.9176.9-177.4-97.4000112.6T93 A94 I99 E100 Q101T93-Y97 WeakPolarHBondContact O-CB 3.31Å; T93-Y97 PolarHBondContact O-N 2.87Å; A94-Y97 PolarHBondContact O-N 3.42Å; Y97-I99 VanDerWaalsContact C-N 3.32Å; Y97-I99 PolarHBondContact O-N 3.39Å; Y97-E100 PolarHBondContact O-N 2.92Å; Y97-Q101 HydrophobicContact CD1-CG 4.38Å; Y97-Q101 HydrophobicContact CD2-CG 4.1Å; Y97-Q101 HydrophobicContact CE1-CG 4.05Å; Y97-Q101 HydrophobicContact CE2-CG 3.76Å; Y97-Q101 HydrophobicContact CG-CG 4.41Å; Y97-Q101 WeakPolarHBondContact O-CB 3.48Å; Y97-Q101 WeakPolarHBondContact O-CG 3.48Å; Y97-Q101 PolarHBondContact O-N 3.49Å
98I93.7Very high92.6Very high114 Ų114100.4 Ų100.459%0.58550%0.501SS*.Hα-helixtrans-60.1-43.9177-70.3165.2000110.7A94 K95 A96 S102A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.27Å; A94-I98 PolarHBondContact O-N 3.17Å; K95-I98 PolarHBondContact O-N 2.99Å; A96-I98 PolarHBondContact O-N 2.94Å; I98-S102 WeakPolarHBondContact O-CA 3.22Å; I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.33Å
99I90.4Very high92.3Very high60 Ų60103.1 Ų103.131%0.30851%0.508SS..Hα-helixtrans-65.4-47.4179.9-69.6170.5000110.8K95 A96 Y97 Q101 S102 W105K95-I99 HydrophobicContact CD-CD1 4.49Å; K95-I99 HydrophobicContact CG-CD1 3.85Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3.37Å; K95-I99 PolarHBondContact O-N 3.33Å; A96-I99 PolarHBondContact O-N 3.41Å; A96-I99 VanDerWaalsContact O-N 3.17Å; Y97-I99 VanDerWaalsContact C-N 3.32Å; Y97-I99 PolarHBondContact O-N 3.39Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.94Å; I99-S102 PolarHBondContact O-N 3.02Å; I99-W105 VanDerWaalsContact CG2-CD1 3.48Å; I99-W105 HydrophobicContact CG2-CD2 4.24Å; I99-W105 HydrophobicContact CG2-CG 4Å
100E89.9Confident91.8Very high126 Ų126102.1 Ų102.159%0.58951%0.507SS*.Hα-helixtrans-64.5-36.3-179.7-74.6175.6-17400112.9A96 Y97 K106A96-E100 WeakPolarHBondContact O-CB 3.31Å; A96-E100 WeakPolarHBondContact O-CG 3.4Å; A96-E100 PolarHBondContact O-N 3.43Å; Y97-E100 PolarHBondContact O-N 2.92Å; E100-K106 WeakPolarHBondContact O-CE 3.45Å; E100-K106 PolarHBondContact O-NZ 3.27Å; E100-K106 VanDerWaalsContact O-NZ 3.15Å
101Q91.4Very high91.5Very high99 Ų9998.6 Ų98.646%0.46350%0.501SS..Hα-helixtrans-89.6-12.2179.8-60.4-57.5-21.200113.3Y97 I99 P103Y97-Q101 HydrophobicContact CD1-CG 4.38Å; Y97-Q101 HydrophobicContact CD2-CG 4.1Å; Y97-Q101 HydrophobicContact CE1-CG 4.05Å; Y97-Q101 HydrophobicContact CE2-CG 3.76Å; Y97-Q101 HydrophobicContact CG-CG 4.41Å; Y97-Q101 WeakPolarHBondContact O-CB 3.48Å; Y97-Q101 WeakPolarHBondContact O-CG 3.48Å; Y97-Q101 PolarHBondContact O-N 3.49Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.94Å; Q101-P103 WeakPolarHBondContact O-CD 3.4Å
102S92.6Very high90.9Very high31 Ų3199.3 Ų99.322%0.21750%0.5CS..  trans-66.1115.9-177.3174.20000111.9I98 I99 V104 W105 K106I98-S102 WeakPolarHBondContact O-CA 3.22Å; I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.33Å; I99-S102 PolarHBondContact O-N 3.02Å; S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact OG-N 2.95Å; S102-W105 PolarHBondContact O-N 3.43Å; S102-W105 PolarHBondContact OG-N 3.03Å; S102-W105 VanDerWaalsContact OG-N 3.09Å; S102-K106 WeakPolarHBondContact O-CG 3.29Å; S102-K106 PolarHBondContact O-N 3.34Å; S102-K106 VanDerWaalsContact O-N 3.13Å
103P88.6Confident90Very high96 Ų9698.9 Ų98.962%0.62350%0.498SS*.Hα-helixtrans-63.7-37174.9-18.832000111.5Q101 W105 K106 T107Q101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-W105 VanDerWaalsContact C-N 3.35Å; P103-K106 PolarHBondContact O-N 2.91Å; P103-T107 PolarHBondContact O-N 3.44Å; P103-T107 PolarHBondContact O-OG1 3.39Å; P103-T107 VanDerWaalsContact O-OG1 3.08Å
104V90.9Very high88.9Confident99 Ų99100.8 Ų100.860%0.651%0.506SS*.Hα-helixtrans-62.4-44.5177.51780000110.3S102 K106 T107 L108S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact OG-N 2.95Å; V104-K106 PolarHBondContact O-N 3.36Å; V104-T107 PolarHBondContact O-N 3.01Å; V104-L108 HydrophobicContact CG1-CD1 4.12Å; V104-L108 HydrophobicContact CG1-CG 4.46Å; V104-L108 WeakPolarHBondContact O-CG 3.48Å; V104-L108 PolarHBondContact O-N 3.48Å
105W87.3Confident87.3Confident132 Ų132102 Ų10250%0.551%0.512SS..Hα-helixtrans-63.1-42.4178.3-165-105.3000111.9I99 S102 P103 T107 L108 Q109I99-W105 VanDerWaalsContact CG2-CD1 3.48Å; I99-W105 HydrophobicContact CG2-CD2 4.24Å; I99-W105 HydrophobicContact CG2-CG 4Å; S102-W105 PolarHBondContact O-N 3.43Å; S102-W105 PolarHBondContact OG-N 3.03Å; S102-W105 VanDerWaalsContact OG-N 3.09Å; P103-W105 VanDerWaalsContact C-N 3.35Å; W105-T107 VanDerWaalsContact C-N 3.34Å; W105-T107 PolarHBondContact O-N 2.88Å; W105-L108 HydrophobicContact CE3-CD1 4.46Å; W105-L108 PolarHBondContact O-N 3.24Å; W105-Q109 WeakPolarHBondContact O-CB 3.17Å; W105-Q109 PolarHBondContact O-N 3.31Å
106K87.4Confident85.6Confident95 Ų95100.9 Ų100.941%0.41351%0.512SS..Hα-helixtrans-60.6-41.9174.4-69.8175.2-175.5170.20112.1E100 S102 P103 V104 Q109 K110E100-K106 WeakPolarHBondContact O-CE 3.45Å; E100-K106 PolarHBondContact O-NZ 3.27Å; E100-K106 VanDerWaalsContact O-NZ 3.15Å; S102-K106 WeakPolarHBondContact O-CG 3.29Å; S102-K106 PolarHBondContact O-N 3.34Å; S102-K106 VanDerWaalsContact O-N 3.13Å; P103-K106 PolarHBondContact O-N 2.91Å; V104-K106 PolarHBondContact O-N 3.36Å; K106-Q109 PolarHBondContact O-N 2.88Å; K106-K110 WeakPolarHBondContact O-CG 3.21Å; K106-K110 PolarHBondContact O-N 3.49Å; K106-K110 VanDerWaalsContact O-N 3.07Å
107T89.8Confident83.9Confident81 Ų81103 Ų10350%0.49753%0.525SS..Hα-helixtrans-65.4-45.9177.2-61.10000111.8P103 V104 W105 Q109 K110 I111P103-T107 PolarHBondContact O-N 3.44Å; P103-T107 PolarHBondContact O-OG1 3.39Å; P103-T107 VanDerWaalsContact O-OG1 3.08Å; V104-T107 PolarHBondContact O-N 3.01Å; W105-T107 VanDerWaalsContact C-N 3.34Å; W105-T107 PolarHBondContact O-N 2.88Å; T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 2.91Å; T107-K110 PolarHBondContact O-N 3.27Å; T107-I111 HydrophobicContact CG2-CD1 4Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 2.87Å
108L87.3Confident82Confident93 Ų93101.1 Ų101.149%0.48753%0.529SS..Hα-helixtrans-60.1-41176-71.9172.9000112V104 W105 I111 K112V104-L108 HydrophobicContact CG1-CD1 4.12Å; V104-L108 HydrophobicContact CG1-CG 4.46Å; V104-L108 WeakPolarHBondContact O-CG 3.48Å; V104-L108 PolarHBondContact O-N 3.48Å; W105-L108 HydrophobicContact CE3-CD1 4.46Å; W105-L108 PolarHBondContact O-N 3.24Å; L108-I111 PolarHBondContact O-N 2.89Å; L108-K112 PolarHBondContact O-N 3.04Å
109Q85.7Confident80.3Confident114 Ų114103 Ų10353%0.53354%0.539SS..Hα-helixtrans-63.8-40.8177.2-165.9175.717.500111.9W105 K106 T107 K112 L113W105-Q109 WeakPolarHBondContact O-CB 3.17Å; W105-Q109 PolarHBondContact O-N 3.31Å; K106-Q109 PolarHBondContact O-N 2.88Å; T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 2.91Å; Q109-K112 PolarHBondContact O-N 3.45Å; Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.33Å; Q109-L113 PolarHBondContact O-N 3.02Å
110K86.3Confident78.4Confident141 Ų141105.4 Ų105.461%0.61356%0.559SS**Hα-helixtrans-63.3-42.4174-74.1178179.8-176.30112.5K106 T107 K112 L113 N114K106-K110 WeakPolarHBondContact O-CG 3.21Å; K106-K110 PolarHBondContact O-N 3.49Å; K106-K110 VanDerWaalsContact O-N 3.07Å; T107-K110 PolarHBondContact O-N 3.27Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.19Å; K110-L113 PolarHBondContact O-N 3.41Å; K110-N114 WeakPolarHBondContact O-CB 2.91Å; K110-N114 VanDerWaalsContact O-CG 3.24Å; K110-N114 PolarHBondContact O-N 3.16Å
111I88.9Confident76Confident104 Ų104110.5 Ų110.553%0.53359%0.591SS.*Hα-helixtrans-61.8-44178.1-66164000110.5T107 L108 N114 S115T107-I111 HydrophobicContact CG2-CD1 4Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 2.87Å; L108-I111 PolarHBondContact O-N 2.89Å; I111-N114 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-N 3.03Å
112K83.9Confident75.3Confident143 Ų143111.1 Ų111.162%0.62260%0.597SS**Hα-helixtrans-63-43.7176.5-174.4176.8179.5-179.30112.7L108 Q109 K110 N114 S115 D116L108-K112 PolarHBondContact O-N 3.04Å; Q109-K112 PolarHBondContact O-N 3.45Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.19Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.38Å; K112-S115 PolarHBondContact O-N 2.9Å; K112-S115 PolarHBondContact O-OG 3.28Å; K112-D116 PolarHBondContact O-N 3.15Å
113L76.3Confident74.3Confident106 Ų106115.3 Ų115.356%0.55562%0.617SS**Hα-helixtrans-65.6-34.4177.4-71166.9000112.1Q109 K110 D116Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.33Å; Q109-L113 PolarHBondContact O-N 3.02Å; K110-L113 PolarHBondContact O-N 3.41Å; L113-D116 PolarHBondContact O-N 2.92Å
114N73Confident73.5Confident106 Ų106116.4 Ų116.457%0.56762%0.617SS**Hα-helixtrans-73.8-28.8176.9-72.7-4.5000113K110 I111 K112 D116 S117 V118K110-N114 WeakPolarHBondContact O-CB 2.91Å; K110-N114 VanDerWaalsContact O-CG 3.24Å; K110-N114 PolarHBondContact O-N 3.16Å; I111-N114 PolarHBondContact O-N 3.45Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.38Å; N114-D116 VanDerWaalsContact C-N 3.3Å; N114-S117 PolarHBondContact O-OG 2.84Å; N114-V118 WeakPolarHBondContact O-CG2 3.46Å
115S64.9Low72.5Confident76 Ų76117.4 Ų117.453%0.53162%0.618SS.*Hα-helixtrans-69.3-30.1173.755.80000112.5I111 K112 S117I111-S115 PolarHBondContact O-N 3.03Å; K112-S115 PolarHBondContact O-N 2.9Å; K112-S115 PolarHBondContact O-OG 3.28Å; S115-S117 VanDerWaalsContact C-N 3.35Å
116D59.5Low71.6Confident115 Ų115116.5 Ų116.562%0.61563%0.625SS**Hα-helixtrans-78.3-18.6-179.8-63.3-17.9000112.6K112 L113 N114K112-D116 PolarHBondContact O-N 3.15Å; L113-D116 PolarHBondContact O-N 2.92Å; N114-D116 VanDerWaalsContact C-N 3.3Å
117S58.5Low70.5Confident86 Ų86117.9 Ų117.960%0.60164%0.639SS**THydrogen-bonded Turntrans-84.9-0.8177.2570000115.4N114 S115N114-S117 PolarHBondContact O-OG 2.84Å; S115-S117 VanDerWaalsContact C-N 3.35Å
118V56.5Low69.2Low107 Ų107120.6 Ų120.665%0.64865%0.649SS**THydrogen-bonded Turntrans-97.415.4-174.1-1790000113.5N114 P120N114-V118 WeakPolarHBondContact O-CG2 3.46Å; V118-P120 WeakPolarHBondContact O-CD 3.43Å
119N56.7Low67.8Low152 Ų152122.7 Ų122.781%0.81366%0.662SS**  trans-109.285.5166.3-99.3-18000112
120P50.5Low66.3Low111 Ų111123.4 Ų123.472%0.72167%0.673SS**  trans-89.9110.9154.933.7-23.1000108.5V118V118-P120 WeakPolarHBondContact O-CD 3.43Å
121N40.4Very low64.5Low234 Ų234121.8 Ų121.8100%1.25168%0.678SS**  trans-88.50149.3-82-24.1000107.6

Retrieved 121 of 121 residues in 144.3 ms (Link to these results)