A0A3Q0KST7_SCHMA Loading...

Epidermal growth factor receptor substrate 15-like 1

AlphaFold DB , UniProt , Accession A0A3Q0KST7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 894 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.1Very low71.6Confident217 Ų21789.9 Ų89.9100%1.06948%0.483SS*.  0132.40-66.8166.8179.700106.9Y3M1-Y3 PolarHBondContact O-N 3.19Å
2A44.9Very low72.9Confident87 Ų8795.5 Ų95.572%0.71949%0.492SS*.  trans-78114.8172.200000107.9E4A2-E4 PolarHBondContact O-N 3.01Å
3Y60.3Low74.1Confident50 Ų5089 Ų8920%0.19646%0.458CS..  trans-85.399.7165.3-61-95000105.7M1 L75 P83 P87 S89 L90M1-Y3 PolarHBondContact O-N 3.19Å; Y3-L75 HydrophobicContact CD1-CD1 3.67Å; Y3-L75 HydrophobicContact CD1-CD2 4.45Å; Y3-L75 HydrophobicContact CE1-CD1 4.03Å; Y3-P83 HydrophobicContact CE2-CG 4.48Å; Y3-P87 HydrophobicContact CD2-CB 4.42Å; Y3-P87 HydrophobicContact CD2-CG 3.73Å; Y3-P87 HydrophobicContact CE2-CG 4.35Å; Y3-P87 HydrophobicContact CG-CG 4.16Å; Y3-S89 WeakPolarHBondContact O-CB 3.46Å; Y3-S89 PolarHBondContact O-OG 2.83Å; Y3-L90 HydrophobicContact CG-CD1 4.47Å; Y3-L90 WeakPolarHBondContact O-CD1 3.46Å
4E66.3Low75.2Confident157 Ų15791.7 Ų91.773%0.73446%0.459SS*.  trans-128.9122.5-176-175.9173.7-175.300108.2A2 S6A2-E4 PolarHBondContact O-N 3.01Å; E4-S6 PolarHBondContact O-N 2.99Å
5I74Confident76.1Confident39 Ų3990.6 Ų90.620%0.246%0.459CS..  trans-79.4110.8-171.6-47.9-176000109.4V7 A10 I67 I68 H71 L90I5-V7 PolarHBondContact O-N 3.08Å; I5-A10 HydrophobicContact CG2-CB 3.99Å; I5-I67 HydrophobicContact CD1-CG2 3.89Å; I5-I67 HydrophobicContact CG2-CG2 4.08Å; I5-I68 HydrophobicContact CD1-CG1 4.26Å; I5-H71 HydrophobicContact CD1-CB 4.21Å; I5-H71 HydrophobicContact CG1-CB 4.37Å; I5-H71 HydrophobicContact CG2-CB 4.47Å; I5-L90 HydrophobicContact CD1-CD2 3.93Å; I5-L90 HydrophobicContact CD1-CG 4.15Å; I5-L90 HydrophobicContact CG1-CD2 4.18Å; I5-L90 HydrophobicContact CG1-CG 4.18Å
6S78Confident76.7Confident54 Ų5488.4 Ų88.438%0.37845%0.448SS..  trans-52.3126.3177.7170.10000112.2E4 P8 D9 A10E4-S6 PolarHBondContact O-N 2.99Å; S6-P8 VanDerWaalsContact OG-CD 3.26Å; S6-P8 WeakPolarHBondContact OG-CD 3.38Å; S6-P8 VanDerWaalsContact OG-CG 3.25Å; S6-P8 WeakPolarHBondContact OG-CG 3.15Å; S6-D9 WeakPolarHBondContact CB-OD2 3.27Å; S6-D9 WeakPolarHBondContact O-CA 3.38Å; S6-D9 PolarHBondContact O-N 3.38Å; S6-D9 PolarHBondContact OG-OD2 3.28Å; S6-A10 PolarHBondContact O-N 3.15Å
7V80.9Confident77.4Confident103 Ų10383.4 Ų83.462%0.62442%0.423SS*.Hα-helixtrans-54.8-35.8-177.1-177.30000115.4I5 R11I5-V7 PolarHBondContact O-N 3.08Å; V7-R11 WeakPolarHBondContact O-CG 3.23Å; V7-R11 PolarHBondContact O-N 3.36Å; V7-R11 PolarHBondContact O-NE 2.89Å; V7-R11 VanDerWaalsContact O-NE 3.11Å
8P83.1Confident77.9Confident61 Ų6183.7 Ų83.740%0.39643%0.426SS..Hα-helixtrans-66.2-35.8168.424.4-34.7000113.3S6 R11 R12S6-P8 VanDerWaalsContact OG-CD 3.26Å; S6-P8 WeakPolarHBondContact OG-CD 3.38Å; S6-P8 VanDerWaalsContact OG-CG 3.25Å; S6-P8 WeakPolarHBondContact OG-CG 3.15Å; P8-R11 WeakPolarHBondContact O-CB 3.18Å; P8-R11 PolarHBondContact O-N 3.38Å; P8-R12 WeakPolarHBondContact O-CG 3.42Å; P8-R12 PolarHBondContact O-N 3.27Å
9D85.4Confident78.4Confident34 Ų3486.7 Ų86.718%0.18244%0.438CS..Hα-helixtrans-79.3-39.2-175.5-57.2-60000111.9S6 R11 R12 Y13S6-D9 WeakPolarHBondContact CB-OD2 3.27Å; S6-D9 WeakPolarHBondContact O-CA 3.38Å; S6-D9 PolarHBondContact O-N 3.38Å; S6-D9 PolarHBondContact OG-OD2 3.28Å; D9-R11 PolarHBondContact O-N 3.41Å; D9-R12 WeakPolarHBondContact O-CB 3.41Å; D9-R12 PolarHBondContact O-N 3.03Å; D9-R12 WeakPolarHBondContact OD1-CD 3.38Å; D9-R12 IonicContact OD1-CZ 3.41Å; D9-R12 IonicContact OD1-NE 3.96Å; D9-R12 IonicContact OD1-NH1 2.64Å; D9-R12 PolarHBondContact OD1-NH1 3.09Å; D9-Y13 HydrophobicContact CB-CE2 4.19Å; D9-Y13 WeakPolarHBondContact O-CD1 3.41Å; D9-Y13 WeakPolarHBondContact O-CD2 3.48Å; D9-Y13 PolarHBondContact O-N 3.46Å
10A86.2Confident78.6Confident25 Ų2584.5 Ų84.521%0.20743%0.427CS..Hα-helixtrans-54.9-36166.600000112.4I5 S6 R14 I67I5-A10 HydrophobicContact CG2-CB 3.99Å; S6-A10 PolarHBondContact O-N 3.15Å; A10-R14 WeakPolarHBondContact O-CB 3.31Å; A10-R14 PolarHBondContact O-N 3.38Å; A10-I67 HydrophobicContact CB-CG2 4.12Å
11R87.1Confident78.7Confident162 Ų16287.6 Ų87.661%0.61144%0.44SS*.Hα-helixtrans-71.9-37.7174-79-177.4-72.6171.6-1.9113.2V7 P8 D9 T15V7-R11 WeakPolarHBondContact O-CG 3.23Å; V7-R11 PolarHBondContact O-N 3.36Å; V7-R11 PolarHBondContact O-NE 2.89Å; V7-R11 VanDerWaalsContact O-NE 3.11Å; P8-R11 WeakPolarHBondContact O-CB 3.18Å; P8-R11 PolarHBondContact O-N 3.38Å; D9-R11 PolarHBondContact O-N 3.41Å; R11-T15 PolarHBondContact O-N 3.3Å; R11-T15 PolarHBondContact O-OG1 3.3Å
12R87.2Confident80.6Confident157 Ų15779.1 Ų79.159%0.59240%0.401SS*.Hα-helixtrans-61.5-50.1172.4-71.8164.9167.1171.6-10110.7P8 D9 R14 T15 I16P8-R12 WeakPolarHBondContact O-CG 3.42Å; P8-R12 PolarHBondContact O-N 3.27Å; D9-R12 WeakPolarHBondContact O-CB 3.41Å; D9-R12 PolarHBondContact O-N 3.03Å; D9-R12 WeakPolarHBondContact OD1-CD 3.38Å; D9-R12 IonicContact OD1-CZ 3.41Å; D9-R12 IonicContact OD1-NE 3.96Å; D9-R12 IonicContact OD1-NH1 2.64Å; D9-R12 PolarHBondContact OD1-NH1 3.09Å; R12-R14 VanDerWaalsContact C-N 3.33Å; R12-R14 PolarHBondContact O-N 2.7Å; R12-T15 WeakPolarHBondContact O-CB 3.27Å; R12-T15 PolarHBondContact O-N 3.5Å; R12-T15 VanDerWaalsContact O-N 3.12Å; R12-I16 WeakPolarHBondContact O-CG1 3.5Å; R12-I16 PolarHBondContact O-N 3Å
13Y89.2Confident82.2Confident11 Ų1178.9 Ų78.94%0.04339%0.391CS..Hα-helixtrans-64.7-36.5-179.1-54.4-19.7000111.9D9 I16 F17 I67 M70 H71 H74D9-Y13 HydrophobicContact CB-CE2 4.19Å; D9-Y13 WeakPolarHBondContact O-CD1 3.41Å; D9-Y13 WeakPolarHBondContact O-CD2 3.48Å; D9-Y13 PolarHBondContact O-N 3.46Å; Y13-I16 PolarHBondContact O-N 3.07Å; Y13-F17 PolarHBondContact O-N 2.97Å; Y13-I67 HydrophobicContact CD2-CG2 4.26Å; Y13-M70 HydrophobicContact CD1-CB 4.01Å; Y13-M70 HydrophobicContact CD1-CG 3.28Å; Y13-M70 HydrophobicContact CD2-CB 3.87Å; Y13-M70 HydrophobicContact CD2-CG 4.05Å; Y13-M70 HydrophobicContact CE1-CB 4.4Å; Y13-M70 HydrophobicContact CE1-CG 3.55Å; Y13-M70 HydrophobicContact CE2-CB 4.28Å; Y13-M70 HydrophobicContact CE2-CG 4.28Å; Y13-M70 HydrophobicContact CG-CB 3.75Å; Y13-M70 HydrophobicContact CG-CG 3.57Å; Y13-H71 HydrophobicContact CE2-CB 3.92Å; Y13-H74 AromaticContact CE1-CE1 3.6Å; Y13-H74 AromaticContact CE1-ND1 3.84Å; Y13-H74 AromaticContact CZ-CE1 3.98Å; Y13-H74 AromaticContact CZ-ND1 3.75Å; Y13-H74 VanDerWaalsContact OH-CG 3.3Å; Y13-H74 PolarHBondContact OH-ND1 2.84Å
14R88.8Confident83.1Confident127 Ų12788.3 Ų88.348%0.47943%0.428SS..Hα-helixtrans-61-45.6169.9-172.6175.5-169.1154.114112.7A10 R12 I16 F17 D18 Q63 I67A10-R14 WeakPolarHBondContact O-CB 3.31Å; A10-R14 PolarHBondContact O-N 3.38Å; R12-R14 VanDerWaalsContact C-N 3.33Å; R12-R14 PolarHBondContact O-N 2.7Å; R14-I16 VanDerWaalsContact C-N 3.26Å; R14-I16 PolarHBondContact O-N 2.96Å; R14-F17 WeakPolarHBondContact O-CB 3.49Å; R14-F17 PolarHBondContact O-N 3.37Å; R14-F17 VanDerWaalsContact O-N 3.11Å; R14-D18 PolarHBondContact O-N 3.45Å; R14-Q63 HydrophobicContact CG-CG 4.37Å; R14-I67 HydrophobicContact CB-CD1 4.26Å
15T88.4Confident83.8Confident75 Ų7582.8 Ų82.846%0.4641%0.413SS..Hα-helixtrans-59.9-39.4177.6-52.30000111.3R11 R12 Q19R11-T15 PolarHBondContact O-N 3.3Å; R11-T15 PolarHBondContact O-OG1 3.3Å; R12-T15 WeakPolarHBondContact O-CB 3.27Å; R12-T15 PolarHBondContact O-N 3.5Å; R12-T15 VanDerWaalsContact O-N 3.12Å; T15-Q19 WeakPolarHBondContact O-CB 3.25Å; T15-Q19 VanDerWaalsContact O-CG 3.26Å; T15-Q19 WeakPolarHBondContact O-CG 3.4Å; T15-Q19 PolarHBondContact O-N 2.84Å
16I86.5Confident84.4Confident55 Ų5583 Ų8328%0.28241%0.412SS..Hα-helixtrans-66.2-42.8174.9-63.8165.4000110.8R12 Y13 R14 D18 Q19 L20 F66R12-I16 WeakPolarHBondContact O-CG1 3.5Å; R12-I16 PolarHBondContact O-N 3Å; Y13-I16 PolarHBondContact O-N 3.07Å; R14-I16 VanDerWaalsContact C-N 3.26Å; R14-I16 PolarHBondContact O-N 2.96Å; I16-D18 PolarHBondContact O-N 2.85Å; I16-Q19 PolarHBondContact O-N 2.92Å; I16-L20 HydrophobicContact CG2-CD1 3.96Å; I16-L20 WeakPolarHBondContact O-CD1 3.3Å; I16-L20 VanDerWaalsContact O-CG 3.24Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.42Å; I16-F66 HydrophobicContact CB-CE1 4.2Å; I16-F66 HydrophobicContact CG2-CE1 3.9Å; I16-F66 HydrophobicContact CG2-CZ 3.83Å
17F87.8Confident84.7Confident4 Ų480.4 Ų80.42%0.01839%0.394CS..Hα-helixtrans-57.4-48.3175.4-174.3-93000111.8Y13 R14 Q19 L20 P22 G25 L27 D62 Q63 F66Y13-F17 PolarHBondContact O-N 2.97Å; R14-F17 WeakPolarHBondContact O-CB 3.49Å; R14-F17 PolarHBondContact O-N 3.37Å; R14-F17 VanDerWaalsContact O-N 3.11Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; F17-Q19 PolarHBondContact O-N 3.5Å; F17-L20 PolarHBondContact O-N 3.15Å; F17-L20 VanDerWaalsContact O-N 3.16Å; F17-P22 HydrophobicContact CD1-CB 4.24Å; F17-P22 HydrophobicContact CD1-CG 3.98Å; F17-P22 HydrophobicContact CE1-CB 3.45Å; F17-P22 VanDerWaalsContact CE1-CB 3.45Å; F17-P22 HydrophobicContact CE1-CG 3.53Å; F17-P22 HydrophobicContact CE2-CB 4.49Å; F17-P22 HydrophobicContact CZ-CB 3.61Å; F17-P22 HydrophobicContact CZ-CG 4.22Å; F17-G25 WeakPolarHBondContact CZ-O 3.36Å; F17-L27 HydrophobicContact CD2-CD1 3.41Å; F17-L27 VanDerWaalsContact CD2-CD1 3.41Å; F17-L27 HydrophobicContact CD2-CG 4.06Å; F17-L27 HydrophobicContact CE2-CB 4.26Å; F17-L27 HydrophobicContact CE2-CD1 3.54Å; F17-L27 HydrophobicContact CE2-CG 3.68Å; F17-L27 HydrophobicContact CG-CD1 4.23Å; F17-L27 HydrophobicContact CZ-CD1 4.43Å; F17-L27 HydrophobicContact CZ-CG 4.21Å; F17-D62 WeakPolarHBondContact CE2-O 3.42Å; F17-Q63 HydrophobicContact CB-CG 4.36Å; F17-Q63 HydrophobicContact CD1-CB 3.71Å; F17-Q63 HydrophobicContact CD1-CG 3.34Å; F17-Q63 HydrophobicContact CD2-CB 4.48Å; F17-Q63 HydrophobicContact CE1-CB 3.44Å; F17-Q63 VanDerWaalsContact CE1-CB 3.44Å; F17-Q63 HydrophobicContact CE1-CG 3.63Å; F17-Q63 HydrophobicContact CE2-CB 4.27Å; F17-Q63 HydrophobicContact CG-CB 4.22Å; F17-Q63 HydrophobicContact CG-CG 3.84Å; F17-Q63 HydrophobicContact CZ-CB 3.75Å; F17-Q63 HydrophobicContact CZ-CG 4.35Å; F17-F66 HydrophobicContact CB-CD1 3.78Å; F17-F66 HydrophobicContact CB-CE1 4.11Å; F17-F66 HydrophobicContact CB-CG 4.45Å; F17-F66 HydrophobicContact CD2-CB 3.53Å; F17-F66 AromaticContact CD2-CD1 3.84Å; F17-F66 HydrophobicContact CD2-CD1 3.84Å; F17-F66 HydrophobicContact CD2-CD2 4.26Å; F17-F66 AromaticContact CD2-CG 3.63Å; F17-F66 HydrophobicContact CD2-CG 3.63Å; F17-F66 HydrophobicContact CE2-CB 3.98Å; F17-F66 HydrophobicContact CE2-CG 4.43Å; F17-F66 HydrophobicContact CG-CD1 4.31Å
18D87.8Confident84.9Confident88 Ų8877.6 Ų77.647%0.47138%0.379SS..Hα-helixtrans-62.9-38179.6-63.6-29.7000111.7R14 I16 L20 Q21R14-D18 PolarHBondContact O-N 3.45Å; I16-D18 PolarHBondContact O-N 2.85Å; D18-L20 VanDerWaalsContact C-N 3.3Å; D18-L20 PolarHBondContact O-N 3.3Å; D18-Q21 PolarHBondContact O-N 3.15Å
19Q86.4Confident84.9Confident141 Ų14175.3 Ų75.366%0.65937%0.367SS*.Hα-helixtrans-64.2-28.7175.3-77.2172.3-13.400113.8T15 I16 F17 Q21T15-Q19 WeakPolarHBondContact O-CB 3.25Å; T15-Q19 VanDerWaalsContact O-CG 3.26Å; T15-Q19 WeakPolarHBondContact O-CG 3.4Å; T15-Q19 PolarHBondContact O-N 2.84Å; I16-Q19 PolarHBondContact O-N 2.92Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; F17-Q19 PolarHBondContact O-N 3.5Å; Q19-Q21 PolarHBondContact O-N 2.84Å
20L83.5Confident84.8Confident42 Ų4280 Ų8022%0.2239%0.388CS..THydrogen-bonded Turntrans-79.91.7-177.3-68.3164.6000114I16 F17 D18 L27 K31 V35 F66I16-L20 HydrophobicContact CG2-CD1 3.96Å; I16-L20 WeakPolarHBondContact O-CD1 3.3Å; I16-L20 VanDerWaalsContact O-CG 3.24Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.42Å; F17-L20 PolarHBondContact O-N 3.15Å; F17-L20 VanDerWaalsContact O-N 3.16Å; D18-L20 VanDerWaalsContact C-N 3.3Å; D18-L20 PolarHBondContact O-N 3.3Å; L20-L27 HydrophobicContact CB-CD1 3.85Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CB-CG 4.49Å; L20-L27 HydrophobicContact CD1-CD1 3.81Å; L20-K31 PolarHBondContact O-NZ 2.64Å; L20-V35 HydrophobicContact CD1-CG1 4.41Å; L20-V35 HydrophobicContact CD1-CG2 3.68Å; L20-V35 HydrophobicContact CD2-CG2 3.35Å; L20-V35 HydrophobicContact CG-CG2 4.16Å; L20-F66 HydrophobicContact CD1-CE1 4.46Å; L20-F66 HydrophobicContact CD1-CE2 3.95Å; L20-F66 HydrophobicContact CD1-CZ 3.63Å
21Q80.5Confident84.7Confident151 Ų15181.8 Ų81.871%0.70639%0.391SS*.  trans55.773179.6-58.8-176100112.2D18 Q19 T23 K31D18-Q21 PolarHBondContact O-N 3.15Å; Q19-Q21 PolarHBondContact O-N 2.84Å; Q21-T23 PolarHBondContact O-N 2.99Å; Q21-K31 PolarHBondContact O-NZ 3.04Å
22P81.3Confident84.5Confident38 Ų3874.1 Ų74.125%0.24736%0.362CS..  trans-65.5120.8-179.227.9-35.4000111.4F17 Y24 K26 L27F17-P22 HydrophobicContact CD1-CB 4.24Å; F17-P22 HydrophobicContact CD1-CG 3.98Å; F17-P22 HydrophobicContact CE1-CB 3.45Å; F17-P22 VanDerWaalsContact CE1-CB 3.45Å; F17-P22 HydrophobicContact CE1-CG 3.53Å; F17-P22 HydrophobicContact CE2-CB 4.49Å; F17-P22 HydrophobicContact CZ-CB 3.61Å; F17-P22 HydrophobicContact CZ-CG 4.22Å; P22-Y24 PolarHBondContact O-N 2.65Å; P22-K26 CarbonylContact C-O 3.57Å; P22-K26 WeakPolarHBondContact CA-O 3.45Å; P22-L27 HydrophobicContact CB-CD2 4.18Å; P22-L27 HydrophobicContact CB-CG 4.18Å
23T78.4Confident84.3Confident83 Ų8373.9 Ų73.951%0.50936%0.361SS..BIsolated β-bridgetrans-77.5117.1176.4420000109.3Q21 G25 K26Q21-T23 PolarHBondContact O-N 2.99Å; T23-G25 PolarHBondContact O-N 2.84Å; T23-K26 PolarHBondContact N-O 3.09Å; T23-K26 PolarHBondContact O-N 2.71Å; T23-K26 PolarHBondContact OG1-O 2.82Å
24Y78.6Confident83.9Confident248 Ų24879.3 Ų79.397%0.97339%0.387SS*.THydrogen-bonded Turntrans56.625.9-174.1-56.4-79.3000114.7P22 K26P22-Y24 PolarHBondContact O-N 2.65Å; Y24-K26 VanDerWaalsContact C-N 3.34Å
25G81.9Confident83.6Confident40 Ų4073.9 Ų73.941%0.41237%0.367SS..THydrogen-bonded Turntrans82.55.5179.200000115.3F17 T23F17-G25 WeakPolarHBondContact CZ-O 3.36Å; T23-G25 PolarHBondContact O-N 2.84Å
26K85.1Confident83.3Confident44 Ų4470.4 Ų70.419%0.19135%0.346CS..BIsolated β-bridgetrans-120.2154.9169.7-80.1177.6161.2-99.80110.5P22 T23 Y24 D56 D58 S60 D62 E65P22-K26 CarbonylContact C-O 3.57Å; P22-K26 WeakPolarHBondContact CA-O 3.45Å; T23-K26 PolarHBondContact N-O 3.09Å; T23-K26 PolarHBondContact O-N 2.71Å; T23-K26 PolarHBondContact OG1-O 2.82Å; Y24-K26 VanDerWaalsContact C-N 3.34Å; K26-D56 IonicContact NZ-OD1 3.98Å; K26-D56 PolarHBondContact NZ-OD1 3.4Å; K26-D56 IonicContact NZ-OD2 3.34Å; K26-D56 PolarHBondContact NZ-OD2 2.91Å; K26-D58 WeakPolarHBondContact CD-OD2 3.2Å; K26-D58 WeakPolarHBondContact CE-OD2 3.42Å; K26-D58 IonicContact NZ-OD1 3.02Å; K26-D58 PolarHBondContact NZ-OD1 2.94Å; K26-D58 IonicContact NZ-OD2 2.78Å; K26-D58 PolarHBondContact NZ-OD2 3.02Å; K26-S60 WeakPolarHBondContact CB-O 3.42Å; K26-S60 WeakPolarHBondContact CD-O 3.44Å; K26-S60 VanDerWaalsContact CG-O 3.22Å; K26-S60 WeakPolarHBondContact CG-O 3.5Å; K26-S60 PolarHBondContact NZ-O 2.68Å; K26-D62 HydrophobicContact CG-CB 3.91Å; K26-E65 IonicContact NZ-OE2 3.13Å
27L84.3Confident83Confident0 Ų073.2 Ų73.20%036%0.361CS..  trans-109.6121.4171.3-75.2171.6000108.8F17 L20 P22 K31 I32 S60 L61 F66F17-L27 HydrophobicContact CD2-CD1 3.41Å; F17-L27 VanDerWaalsContact CD2-CD1 3.41Å; F17-L27 HydrophobicContact CD2-CG 4.06Å; F17-L27 HydrophobicContact CE2-CB 4.26Å; F17-L27 HydrophobicContact CE2-CD1 3.54Å; F17-L27 HydrophobicContact CE2-CG 3.68Å; F17-L27 HydrophobicContact CG-CD1 4.23Å; F17-L27 HydrophobicContact CZ-CD1 4.43Å; F17-L27 HydrophobicContact CZ-CG 4.21Å; L20-L27 HydrophobicContact CB-CD1 3.85Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CB-CG 4.49Å; L20-L27 HydrophobicContact CD1-CD1 3.81Å; P22-L27 HydrophobicContact CB-CD2 4.18Å; P22-L27 HydrophobicContact CB-CG 4.18Å; L27-K31 HydrophobicContact CD2-CD 3.74Å; L27-I32 HydrophobicContact CB-CD1 3.69Å; L27-I32 HydrophobicContact CB-CG1 3.66Å; L27-I32 HydrophobicContact CD1-CG1 4.43Å; L27-I32 VanDerWaalsContact O-CD1 3.32Å; L27-I32 WeakPolarHBondContact O-CD1 3.34Å; L27-S60 CarbonylContact O-C 3.53Å; L27-S60 WeakPolarHBondContact O-CA 3.46Å; L27-L61 PolarHBondContact N-O 3.23Å; L27-L61 PolarHBondContact O-N 2.83Å; L27-F66 HydrophobicContact CD1-CD2 4.15Å; L27-F66 HydrophobicContact CD1-CE2 4.23Å
28S84.8Confident82.6Confident44 Ų4481 Ų8131%0.30840%0.395SS..  trans-63.7147.1177.161.60000111.6E30 K31 I32S28-E30 PolarHBondContact O-N 3.22Å; S28-K31 PolarHBondContact O-N 2.94Å; S28-I32 PolarHBondContact O-N 3.48Å
29G83.1Confident82.1Confident13 Ų1379.5 Ų79.513%0.13438%0.384CS..Hα-helixtrans-50.2-29-178.900000116.3I32 R33 G59G29-I32 PolarHBondContact O-N 3.44Å; G29-R33 WeakPolarHBondContact O-CB 3.27Å; G29-R33 WeakPolarHBondContact O-CD 3.43Å; G29-R33 WeakPolarHBondContact O-CG 3.36Å; G29-R33 PolarHBondContact O-N 3Å; G29-G59 PolarHBondContact N-O 2.98Å
30E84.2Confident81.6Confident133 Ų13381.6 Ų81.662%0.62139%0.394SS*.Hα-helixtrans-64.7-51.6175.4-15962.1-154.900112.4S28 I32 R33 E34S28-E30 PolarHBondContact O-N 3.22Å; E30-I32 PolarHBondContact O-N 3.24Å; E30-R33 WeakPolarHBondContact O-CB 3.11Å; E30-R33 PolarHBondContact O-N 3.31Å; E30-R33 VanDerWaalsContact O-N 3.14Å; E30-E34 PolarHBondContact O-N 2.91Å
31K83.2Confident81.2Confident62 Ų6280.6 Ų80.627%0.2739%0.389SS..Hα-helixtrans-56.1-39.5174.5-75.9-168168.5-160.60112L20 Q21 L27 S28 V35L20-K31 PolarHBondContact O-NZ 2.64Å; Q21-K31 PolarHBondContact O-NZ 3.04Å; L27-K31 HydrophobicContact CD2-CD 3.74Å; S28-K31 PolarHBondContact O-N 2.94Å; K31-V35 WeakPolarHBondContact O-CG2 3.03Å; K31-V35 PolarHBondContact O-N 3.46Å
32I83.9Confident81.1Confident0 Ų077.2 Ų77.20%038%0.38CS..Hα-helixtrans-74.7-36.4-178.7-56.1-174.5000110.4L27 S28 G29 E30 E34 V35 F36 W50 L61 F66L27-I32 HydrophobicContact CB-CD1 3.69Å; L27-I32 HydrophobicContact CB-CG1 3.66Å; L27-I32 HydrophobicContact CD1-CG1 4.43Å; L27-I32 VanDerWaalsContact O-CD1 3.32Å; L27-I32 WeakPolarHBondContact O-CD1 3.34Å; S28-I32 PolarHBondContact O-N 3.48Å; G29-I32 PolarHBondContact O-N 3.44Å; E30-I32 PolarHBondContact O-N 3.24Å; I32-E34 VanDerWaalsContact C-N 3.35Å; I32-E34 PolarHBondContact O-N 3.37Å; I32-V35 CarbonylContact O-C 3.53Å; I32-V35 WeakPolarHBondContact O-CB 3.46Å; I32-V35 PolarHBondContact O-N 3.11Å; I32-V35 VanDerWaalsContact O-N 3.11Å; I32-F36 HydrophobicContact CG2-CD1 3.88Å; I32-F36 HydrophobicContact CG2-CD2 4.14Å; I32-F36 HydrophobicContact CG2-CE1 3.9Å; I32-F36 HydrophobicContact CG2-CE2 4.16Å; I32-F36 HydrophobicContact CG2-CG 4.04Å; I32-F36 HydrophobicContact CG2-CZ 4.06Å; I32-F36 VanDerWaalsContact O-CB 3.27Å; I32-F36 WeakPolarHBondContact O-CB 3.43Å; I32-F36 WeakPolarHBondContact O-CG 3.46Å; I32-F36 PolarHBondContact O-N 3.3Å; I32-W50 HydrophobicContact CB-CZ3 3.87Å; I32-W50 HydrophobicContact CD1-CH2 4.08Å; I32-W50 HydrophobicContact CD1-CZ3 3.94Å; I32-W50 HydrophobicContact CG1-CZ3 4.43Å; I32-W50 HydrophobicContact CG2-CE3 4.48Å; I32-W50 HydrophobicContact CG2-CZ3 3.88Å; I32-L61 HydrophobicContact CD1-CB 3.57Å; I32-L61 HydrophobicContact CD1-CD1 3.72Å; I32-L61 HydrophobicContact CD1-CG 3.69Å; I32-L61 HydrophobicContact CG2-CD1 4.33Å; I32-F66 HydrophobicContact CD1-CD2 4.38Å
33R81.8Confident81.1Confident153 Ų15380.8 Ų80.858%0.57740%0.401SS*.Hα-helixtrans-59.7-42.6171.9-77.3165.7-179.9-126.9-4.9111.6G29 E30 V35 F36 L37G29-R33 WeakPolarHBondContact O-CB 3.27Å; G29-R33 WeakPolarHBondContact O-CD 3.43Å; G29-R33 WeakPolarHBondContact O-CG 3.36Å; G29-R33 PolarHBondContact O-N 3Å; E30-R33 WeakPolarHBondContact O-CB 3.11Å; E30-R33 PolarHBondContact O-N 3.31Å; E30-R33 VanDerWaalsContact O-N 3.14Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 2.97Å; R33-F36 PolarHBondContact O-N 2.88Å; R33-L37 VanDerWaalsContact O-CB 3.23Å; R33-L37 WeakPolarHBondContact O-CB 3.21Å; R33-L37 PolarHBondContact O-N 3Å
34E82.3Confident81.3Confident125 Ų12584.2 Ų84.258%0.58441%0.411SS*.Hα-helixtrans-58-39172.4-68.8-175.1164.800112.9E30 I32 K38E30-E34 PolarHBondContact O-N 2.91Å; I32-E34 VanDerWaalsContact C-N 3.35Å; I32-E34 PolarHBondContact O-N 3.37Å; E34-K38 WeakPolarHBondContact O-CG 3.37Å
35V81.9Confident81.5Confident12 Ų1273.9 Ų73.97%0.07337%0.374CS..Hα-helixtrans-73.8-42.1178.4173.40000111.4L20 K31 I32 R33 K38 F39 F66 M70L20-V35 HydrophobicContact CD1-CG1 4.41Å; L20-V35 HydrophobicContact CD1-CG2 3.68Å; L20-V35 HydrophobicContact CD2-CG2 3.35Å; L20-V35 HydrophobicContact CG-CG2 4.16Å; K31-V35 WeakPolarHBondContact O-CG2 3.03Å; K31-V35 PolarHBondContact O-N 3.46Å; I32-V35 CarbonylContact O-C 3.53Å; I32-V35 WeakPolarHBondContact O-CB 3.46Å; I32-V35 PolarHBondContact O-N 3.11Å; I32-V35 VanDerWaalsContact O-N 3.11Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 2.97Å; V35-K38 WeakPolarHBondContact O-CB 3.47Å; V35-K38 PolarHBondContact O-N 3.23Å; V35-F39 HydrophobicContact CG1-CE2 4.13Å; V35-F39 VanDerWaalsContact O-CD2 3.23Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 WeakPolarHBondContact O-CE2 3.33Å; V35-F66 HydrophobicContact CG1-CE2 4.49Å; V35-F66 HydrophobicContact CG1-CZ 4.35Å; V35-M70 HydrophobicContact CG1-CE 4.03Å
36F82.1Confident81.6Confident3 Ų372.9 Ų72.91%0.01336%0.359CS..Hα-helixtrans-71.5-34.1-177.3-84.219000112I32 R33 K38 F39 L46 I49 A69 M70 V73I32-F36 HydrophobicContact CG2-CD1 3.88Å; I32-F36 HydrophobicContact CG2-CD2 4.14Å; I32-F36 HydrophobicContact CG2-CE1 3.9Å; I32-F36 HydrophobicContact CG2-CE2 4.16Å; I32-F36 HydrophobicContact CG2-CG 4.04Å; I32-F36 HydrophobicContact CG2-CZ 4.06Å; I32-F36 VanDerWaalsContact O-CB 3.27Å; I32-F36 WeakPolarHBondContact O-CB 3.43Å; I32-F36 WeakPolarHBondContact O-CG 3.46Å; I32-F36 PolarHBondContact O-N 3.3Å; R33-F36 PolarHBondContact O-N 2.88Å; F36-K38 PolarHBondContact O-N 3.35Å; F36-F39 PolarHBondContact O-N 3.46Å; F36-F39 VanDerWaalsContact O-N 3.09Å; F36-L46 HydrophobicContact CB-CD1 3.9Å; F36-L46 HydrophobicContact CB-CD2 3.88Å; F36-L46 HydrophobicContact CB-CG 3.88Å; F36-L46 HydrophobicContact CD2-CD1 4.25Å; F36-L46 HydrophobicContact CD2-CG 4.1Å; F36-L46 HydrophobicContact CG-CD1 4.45Å; F36-L46 HydrophobicContact CG-CG 4.49Å; F36-I49 HydrophobicContact CE2-CG2 3.89Å; F36-I49 HydrophobicContact CZ-CG2 4.38Å; F36-A69 HydrophobicContact CE2-CB 4.23Å; F36-A69 HydrophobicContact CZ-CB 3.57Å; F36-M70 HydrophobicContact CE1-CE 3.98Å; F36-V73 HydrophobicContact CD1-CG2 4.35Å; F36-V73 HydrophobicContact CD2-CG2 4.42Å; F36-V73 HydrophobicContact CE1-CG2 4Å; F36-V73 HydrophobicContact CE2-CG2 4.07Å; F36-V73 HydrophobicContact CZ-CG2 3.82Å
37L80.2Confident81.5Confident114 Ų11472 Ų7260%0.59736%0.363SS*.Hα-helixtrans-62.9-28.5174-166.466.9000112.5R33 F39 Q40R33-L37 VanDerWaalsContact O-CB 3.23Å; R33-L37 WeakPolarHBondContact O-CB 3.21Å; R33-L37 PolarHBondContact O-N 3Å; L37-F39 PolarHBondContact O-N 2.68Å; L37-Q40 PolarHBondContact O-N 2.86Å; L37-Q40 VanDerWaalsContact O-N 3.09Å
38K79.8Confident81.5Confident166 Ų16678 Ų7872%0.72239%0.389SS*.THydrogen-bonded Turntrans-66.2-21.6174.5-65.3171.6-174.1178.70113.5E34 V35 F36 Q40E34-K38 WeakPolarHBondContact O-CG 3.37Å; V35-K38 WeakPolarHBondContact O-CB 3.47Å; V35-K38 PolarHBondContact O-N 3.23Å; F36-K38 PolarHBondContact O-N 3.35Å; K38-Q40 VanDerWaalsContact C-N 3.26Å
39F77.6Confident81.6Confident58 Ų5875.9 Ų75.925%0.25437%0.374SS..THydrogen-bonded Turntrans-84-0.3174.6-64.7-83.1000113.1V35 F36 L37 L41 M70 V73 L77V35-F39 HydrophobicContact CG1-CE2 4.13Å; V35-F39 VanDerWaalsContact O-CD2 3.23Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 WeakPolarHBondContact O-CE2 3.33Å; F36-F39 PolarHBondContact O-N 3.46Å; F36-F39 VanDerWaalsContact O-N 3.09Å; L37-F39 PolarHBondContact O-N 2.68Å; F39-L41 HydrophobicContact CB-CD1 4.45Å; F39-L41 PolarHBondContact O-N 2.91Å; F39-M70 HydrophobicContact CE1-SD 4.24Å; F39-M70 HydrophobicContact CE2-CE 3.85Å; F39-M70 HydrophobicContact CE2-SD 3.71Å; F39-M70 HydrophobicContact CZ-CE 4.04Å; F39-M70 HydrophobicContact CZ-SD 3.44Å; F39-M70 WeakPolarHBondContact CZ-SD 3.45Å; F39-V73 HydrophobicContact CB-CG1 3.91Å; F39-V73 HydrophobicContact CD1-CG1 3.75Å; F39-V73 HydrophobicContact CD2-CG1 3.98Å; F39-V73 HydrophobicContact CE1-CG1 4.25Å; F39-V73 HydrophobicContact CE2-CG1 4.47Å; F39-V73 HydrophobicContact CG-CG1 3.59Å; F39-L77 HydrophobicContact CB-CD1 4.34Å; F39-L77 HydrophobicContact CD1-CD1 3.83Å; F39-L77 HydrophobicContact CG-CD1 4.49Å
40Q74.4Confident81.7Confident184 Ų18476.9 Ų76.986%0.8637%0.374SS*.THydrogen-bonded Turntrans59.120.5167.4-153.5148.973.600115.1L37 K38L37-Q40 PolarHBondContact O-N 2.86Å; L37-Q40 VanDerWaalsContact O-N 3.09Å; K38-Q40 VanDerWaalsContact C-N 3.26Å
41L75Confident81.7Confident22 Ų2276.3 Ų76.312%0.11538%0.375CS..  trans-75.3152.1174.6-75.1166.1000111.5F39 L46 I49 V73 L77F39-L41 HydrophobicContact CB-CD1 4.45Å; F39-L41 PolarHBondContact O-N 2.91Å; L41-L46 HydrophobicContact CB-CD1 3.85Å; L41-L46 HydrophobicContact CD1-CD1 4.32Å; L41-I49 HydrophobicContact CD1-CD1 4.19Å; L41-V73 HydrophobicContact CD1-CB 4.45Å; L41-V73 HydrophobicContact CD1-CG1 4.03Å; L41-V73 HydrophobicContact CD1-CG2 4.34Å; L41-L77 HydrophobicContact CD1-CD2 4.47Å; L41-L77 HydrophobicContact CD1-CG 4.35Å; L41-L77 HydrophobicContact CD2-CD2 3.89Å; L41-L77 HydrophobicContact CD2-CG 4.33Å; L41-L77 HydrophobicContact CG-CD2 4.02Å; L41-L77 HydrophobicContact CG-CG 4.42Å
42P78.7Confident81.7Confident80 Ų8074.4 Ų74.452%0.51937%0.367SS..  trans-58142.2173.4-23.433.7000112.4E44 T45 L46P42-E44 PolarHBondContact O-N 3.32Å; P42-T45 WeakPolarHBondContact O-CB 3.36Å; P42-T45 PolarHBondContact O-N 3.48Å; P42-L46 PolarHBondContact O-N 3.41Å
43V81.2Confident81.8Confident112 Ų11274.4 Ų74.468%0.67937%0.367SS*.Hα-helixtrans-59.5-32.6-177.8-176.70000112.2L46 G47V43-L46 VanDerWaalsContact O-CB 3.31Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 2.87Å; V43-G47 PolarHBondContact O-N 3.44Å
44E82.8Confident82Confident155 Ų15567.5 Ų67.572%0.72434%0.342SS*.Hα-helixtrans-63.5-44173.7-62.2179.4-162.800112.7P42 L46 G47 K48P42-E44 PolarHBondContact O-N 3.32Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-G47 PolarHBondContact O-N 2.98Å; E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 2.96Å
45T83Confident81.9Confident32 Ų3262.3 Ų62.320%0.19632%0.318CS..Hα-helixtrans-65.2-39.3174.8-51.20000110.4P42 K48 I49 S76 L82P42-T45 WeakPolarHBondContact O-CB 3.36Å; P42-T45 PolarHBondContact O-N 3.48Å; T45-K48 PolarHBondContact O-N 3.27Å; T45-I49 HydrophobicContact CG2-CD1 4.19Å; T45-I49 VanDerWaalsContact O-CG1 3.29Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.44Å; T45-S76 VanDerWaalsContact CG2-OG 3.31Å; T45-S76 WeakPolarHBondContact CG2-OG 3.47Å; T45-L82 HydrophobicContact CG2-CD1 3.74Å
46L84Confident81.9Confident18 Ų1863.7 Ų63.79%0.09433%0.325CS..Hα-helixtrans-61.1-42.9175-129.463.4000112.2F36 L41 P42 V43 E44 I49 W50F36-L46 HydrophobicContact CB-CD1 3.9Å; F36-L46 HydrophobicContact CB-CD2 3.88Å; F36-L46 HydrophobicContact CB-CG 3.88Å; F36-L46 HydrophobicContact CD2-CD1 4.25Å; F36-L46 HydrophobicContact CD2-CG 4.1Å; F36-L46 HydrophobicContact CG-CD1 4.45Å; F36-L46 HydrophobicContact CG-CG 4.49Å; L41-L46 HydrophobicContact CB-CD1 3.85Å; L41-L46 HydrophobicContact CD1-CD1 4.32Å; P42-L46 PolarHBondContact O-N 3.41Å; V43-L46 VanDerWaalsContact O-CB 3.31Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 2.87Å; E44-L46 VanDerWaalsContact C-N 3.31Å; L46-I49 PolarHBondContact O-N 3.07Å; L46-W50 PolarHBondContact O-N 3.36Å
47G83.8Confident81.9Confident27 Ų2769.7 Ų69.728%0.27836%0.358SS..Hα-helixtrans-61.5-49.4173.100000111.8V43 E44 I49 W50 D51V43-G47 PolarHBondContact O-N 3.44Å; E44-G47 PolarHBondContact O-N 2.98Å; G47-I49 VanDerWaalsContact C-N 3.28Å; G47-I49 PolarHBondContact O-N 3.11Å; G47-W50 WeakPolarHBondContact O-CA 3.38Å; G47-W50 VanDerWaalsContact O-CB 3.28Å; G47-W50 WeakPolarHBondContact O-CB 3.47Å; G47-W50 PolarHBondContact O-N 3.19Å; G47-D51 PolarHBondContact O-N 3.38Å
48K84.4Confident82.1Confident125 Ų12568.1 Ų68.154%0.54335%0.35SS..Hα-helixtrans-58.6-38.1175.8-69.8173.1-177175.70112.9E44 T45 L52 L82E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 2.96Å; T45-K48 PolarHBondContact O-N 3.27Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 WeakPolarHBondContact O-CD1 3.41Å; K48-L52 WeakPolarHBondContact O-CG 3.47Å; K48-L52 PolarHBondContact O-N 2.77Å; K48-L52 VanDerWaalsContact O-N 3.16Å; K48-L82 HydrophobicContact CB-CD1 4.43Å
49I85.3Confident82.3Confident0 Ų061.7 Ų61.70%033%0.33CS..Hα-helixtrans-67.9-39.6174.8-66.4165.6000110.8F36 L41 T45 L46 G47 L52 S53 A69 L72 V73 L82F36-I49 HydrophobicContact CE2-CG2 3.89Å; F36-I49 HydrophobicContact CZ-CG2 4.38Å; L41-I49 HydrophobicContact CD1-CD1 4.19Å; T45-I49 HydrophobicContact CG2-CD1 4.19Å; T45-I49 VanDerWaalsContact O-CG1 3.29Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.44Å; L46-I49 PolarHBondContact O-N 3.07Å; G47-I49 VanDerWaalsContact C-N 3.28Å; G47-I49 PolarHBondContact O-N 3.11Å; I49-L52 PolarHBondContact O-N 2.9Å; I49-S53 WeakPolarHBondContact O-CB 3.38Å; I49-S53 PolarHBondContact O-N 3.09Å; I49-S53 PolarHBondContact O-OG 3.39Å; I49-A69 HydrophobicContact CG2-CB 4.39Å; I49-L72 HydrophobicContact CG1-CB 4.24Å; I49-L72 HydrophobicContact CG2-CB 3.85Å; I49-L72 HydrophobicContact CG2-CD1 4.43Å; I49-V73 HydrophobicContact CD1-CG2 3.99Å; I49-V73 HydrophobicContact CG2-CG2 4.25Å; I49-L82 HydrophobicContact CD1-CD1 4.16Å; I49-L82 HydrophobicContact CG1-CD1 3.63Å; I49-L82 HydrophobicContact CG1-CD2 4.06Å
50W86.2Confident82.7Confident34 Ų3460.4 Ų60.413%0.12933%0.328CS..Hα-helixtrans-57.8-56.5173.7-174.6-80.6000111.2I32 L46 G47 L52 S53 D54 L61I32-W50 HydrophobicContact CB-CZ3 3.87Å; I32-W50 HydrophobicContact CD1-CH2 4.08Å; I32-W50 HydrophobicContact CD1-CZ3 3.94Å; I32-W50 HydrophobicContact CG1-CZ3 4.43Å; I32-W50 HydrophobicContact CG2-CE3 4.48Å; I32-W50 HydrophobicContact CG2-CZ3 3.88Å; L46-W50 PolarHBondContact O-N 3.36Å; G47-W50 WeakPolarHBondContact O-CA 3.38Å; G47-W50 VanDerWaalsContact O-CB 3.28Å; G47-W50 WeakPolarHBondContact O-CB 3.47Å; G47-W50 PolarHBondContact O-N 3.19Å; W50-L52 PolarHBondContact O-N 3.24Å; W50-L52 VanDerWaalsContact O-N 3.14Å; W50-S53 PolarHBondContact O-N 2.86Å; W50-D54 HydrophobicContact CZ2-CB 4.44Å; W50-D54 WeakPolarHBondContact CZ2-OD2 3.43Å; W50-D54 PolarHBondContact NE1-OD2 3.34Å; W50-D54 WeakPolarHBondContact O-CB 3.42Å; W50-D54 PolarHBondContact O-N 3.08Å; W50-L61 HydrophobicContact CE3-CD1 4.25Å; W50-L61 HydrophobicContact CH2-CD1 4.24Å; W50-L61 HydrophobicContact CH2-CD2 4.35Å; W50-L61 HydrophobicContact CH2-CG 3.75Å; W50-L61 HydrophobicContact CZ2-CD2 4.26Å; W50-L61 HydrophobicContact CZ2-CG 4.16Å; W50-L61 HydrophobicContact CZ3-CD1 3.94Å; W50-L61 HydrophobicContact CZ3-CG 3.99Å
51D84.7Confident83.2Confident120 Ų12051.6 Ų51.664%0.64229%0.287SS*.Hα-helixtrans-63.2-23-175.7-56-20.7000113G47G47-D51 PolarHBondContact O-N 3.38Å
52L83.6Confident83.8Confident22 Ų2252 Ų5212%0.11529%0.29CS..Hα-helixtrans-85.9-15.4173.4-72.3170.2000114.1K48 I49 W50 L72 P83K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 WeakPolarHBondContact O-CD1 3.41Å; K48-L52 WeakPolarHBondContact O-CG 3.47Å; K48-L52 PolarHBondContact O-N 2.77Å; K48-L52 VanDerWaalsContact O-N 3.16Å; I49-L52 PolarHBondContact O-N 2.9Å; W50-L52 PolarHBondContact O-N 3.24Å; W50-L52 VanDerWaalsContact O-N 3.14Å; L52-L72 HydrophobicContact CB-CD1 3.87Å; L52-P83 VanDerWaalsContact CD1-O 3.29Å; L52-P83 WeakPolarHBondContact CD1-O 3.46Å; L52-P83 WeakPolarHBondContact CD2-O 3.18Å
53S84Confident84.3Confident0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-112.7-26.9-172.9-50.80000114.1I49 W50 I55 E65 A69I49-S53 WeakPolarHBondContact O-CB 3.38Å; I49-S53 PolarHBondContact O-N 3.09Å; I49-S53 PolarHBondContact O-OG 3.39Å; W50-S53 PolarHBondContact O-N 2.86Å; S53-I55 VanDerWaalsContact C-N 3.32Å; S53-I55 PolarHBondContact O-N 2.64Å; S53-E65 WeakPolarHBondContact O-CB 3.47Å; S53-E65 VanDerWaalsContact O-CG 3.28Å; S53-E65 WeakPolarHBondContact O-CG 3.5Å; S53-A69 VanDerWaalsContact OG-CA 3.24Å; S53-A69 WeakPolarHBondContact OG-CA 3.5Å; S53-A69 VanDerWaalsContact OG-CB 3.24Å; S53-A69 WeakPolarHBondContact OG-CB 3.32Å
54D86.7Confident84.5Confident9 Ų946.8 Ų46.85%0.04826%0.255CS..  trans-7978.3176-165.5-10.1000109W50 N57 D58 G59 L61W50-D54 HydrophobicContact CZ2-CB 4.44Å; W50-D54 WeakPolarHBondContact CZ2-OD2 3.43Å; W50-D54 PolarHBondContact NE1-OD2 3.34Å; W50-D54 WeakPolarHBondContact O-CB 3.42Å; W50-D54 PolarHBondContact O-N 3.08Å; D54-N57 PolarHBondContact O-N 2.83Å; D54-N57 PolarHBondContact O-ND2 2.73Å; D54-N57 WeakPolarHBondContact OD1-CA 3.28Å; D54-N57 PolarHBondContact OD1-N 3.11Å; D54-D58 PolarHBondContact OD1-N 2.83Å; D54-D58 VanDerWaalsContact OD1-N 3.09Å; D54-G59 WeakPolarHBondContact OD2-CA 3.48Å; D54-G59 PolarHBondContact OD2-N 3.4Å; D54-G59 VanDerWaalsContact OD2-N 3.14Å; D54-L61 HydrophobicContact CB-CD2 3.64Å
55I80.6Confident84.7Confident16 Ų1639.4 Ų39.48%0.08222%0.221CC..SBendtrans-73.4-33.5-169-61.9175.4000110.8S53 E65 I68 L86 K95 F99S53-I55 VanDerWaalsContact C-N 3.32Å; S53-I55 PolarHBondContact O-N 2.64Å; I55-E65 WeakPolarHBondContact CB-OE1 3.19Å; I55-E65 HydrophobicContact CD1-CG 4.5Å; I55-E65 PolarHBondContact N-OE1 3.11Å; I55-I68 HydrophobicContact CD1-CD1 3.96Å; I55-L86 HydrophobicContact CD1-CD2 3.98Å; I55-L86 HydrophobicContact CG1-CD2 4.49Å; I55-K95 HydrophobicContact CB-CD 4.21Å; I55-K95 HydrophobicContact CG2-CB 4.16Å; I55-K95 HydrophobicContact CG2-CD 4.36Å; I55-F99 HydrophobicContact CB-CE2 4.47Å; I55-F99 HydrophobicContact CD1-CE2 4.12Å; I55-F99 HydrophobicContact CG1-CE2 4.06Å; I55-F99 HydrophobicContact CG2-CD2 3.77Å; I55-F99 HydrophobicContact CG2-CE2 3.69Å
56D81.1Confident85Confident41 Ų4137.9 Ų37.922%0.21921%0.211CC..SBendtrans-89.2-4.1172.656.710.9000114.6K26 D58 K95 Y98K26-D56 IonicContact NZ-OD1 3.98Å; K26-D56 PolarHBondContact NZ-OD1 3.4Å; K26-D56 IonicContact NZ-OD2 3.34Å; K26-D56 PolarHBondContact NZ-OD2 2.91Å; D56-D58 PolarHBondContact O-N 2.9Å; D56-K95 IonicContact OD1-NZ 3.92Å; D56-K95 PolarHBondContact OD1-NZ 3.48Å; D56-K95 VanDerWaalsContact OD2-CE 3.32Å; D56-K95 WeakPolarHBondContact OD2-CE 3.47Å; D56-K95 IonicContact OD2-NZ 3.44Å; D56-K95 PolarHBondContact OD2-NZ 2.81Å; D56-Y98 HydrophobicContact CB-CD1 4.39Å; D56-Y98 HydrophobicContact CB-CD2 4.47Å; D56-Y98 HydrophobicContact CB-CE1 4.12Å; D56-Y98 HydrophobicContact CB-CE2 4.2Å
57N81.8Confident85.2Confident129 Ų12938 Ų3869%0.6921%0.212SC*.  trans56.634.5178-73.2-113.3000112.9D54D54-N57 PolarHBondContact O-N 2.83Å; D54-N57 PolarHBondContact O-ND2 2.73Å; D54-N57 WeakPolarHBondContact OD1-CA 3.28Å; D54-N57 PolarHBondContact OD1-N 3.11Å
58D85.6Confident85.3Confident81 Ų8136.9 Ų36.943%0.43320%0.199SC..SBendtrans-93.9-1.4-177.496.2-25.7000114K26 D54 D56 S60K26-D58 WeakPolarHBondContact CD-OD2 3.2Å; K26-D58 WeakPolarHBondContact CE-OD2 3.42Å; K26-D58 IonicContact NZ-OD1 3.02Å; K26-D58 PolarHBondContact NZ-OD1 2.94Å; K26-D58 IonicContact NZ-OD2 2.78Å; K26-D58 PolarHBondContact NZ-OD2 3.02Å; D54-D58 PolarHBondContact OD1-N 2.83Å; D54-D58 VanDerWaalsContact OD1-N 3.09Å; D56-D58 PolarHBondContact O-N 2.9Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 2.99Å; D58-S60 VanDerWaalsContact OD1-CA 3.32Å; D58-S60 WeakPolarHBondContact OD1-CA 3.35Å; D58-S60 WeakPolarHBondContact OD1-CB 3.27Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 VanDerWaalsContact OD1-O 3.13Å
59G83.3Confident85.4Confident30 Ų3030.9 Ų30.931%0.30917%0.173SC..SBendtrans77.68-179.900000114.3G29 D54G29-G59 PolarHBondContact N-O 2.98Å; D54-G59 WeakPolarHBondContact OD2-CA 3.48Å; D54-G59 PolarHBondContact OD2-N 3.4Å; D54-G59 VanDerWaalsContact OD2-N 3.14Å
60S86.4Confident85.5Confident31 Ų3130.9 Ų30.922%0.21717%0.173CC..SBendtrans-143.983.9-173.7-55.60000112.6K26 L27 D58 D62K26-S60 WeakPolarHBondContact CB-O 3.42Å; K26-S60 WeakPolarHBondContact CD-O 3.44Å; K26-S60 VanDerWaalsContact CG-O 3.22Å; K26-S60 WeakPolarHBondContact CG-O 3.5Å; K26-S60 PolarHBondContact NZ-O 2.68Å; L27-S60 CarbonylContact O-C 3.53Å; L27-S60 WeakPolarHBondContact O-CA 3.46Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 2.99Å; D58-S60 VanDerWaalsContact OD1-CA 3.32Å; D58-S60 WeakPolarHBondContact OD1-CA 3.35Å; D58-S60 WeakPolarHBondContact OD1-CB 3.27Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 VanDerWaalsContact OD1-O 3.13Å; S60-D62 PolarHBondContact O-N 3.06Å
61L85.3Confident85.4Confident0 Ų030.3 Ų30.30%017%0.172CC..  trans-53.8133.1-177.7-52.6178.6000112.2L27 I32 W50 D54 E65 A69L27-L61 PolarHBondContact N-O 3.23Å; L27-L61 PolarHBondContact O-N 2.83Å; I32-L61 HydrophobicContact CD1-CB 3.57Å; I32-L61 HydrophobicContact CD1-CD1 3.72Å; I32-L61 HydrophobicContact CD1-CG 3.69Å; I32-L61 HydrophobicContact CG2-CD1 4.33Å; W50-L61 HydrophobicContact CE3-CD1 4.25Å; W50-L61 HydrophobicContact CH2-CD1 4.24Å; W50-L61 HydrophobicContact CH2-CD2 4.35Å; W50-L61 HydrophobicContact CH2-CG 3.75Å; W50-L61 HydrophobicContact CZ2-CD2 4.26Å; W50-L61 HydrophobicContact CZ2-CG 4.16Å; W50-L61 HydrophobicContact CZ3-CD1 3.94Å; W50-L61 HydrophobicContact CZ3-CG 3.99Å; D54-L61 HydrophobicContact CB-CD2 3.64Å; L61-E65 HydrophobicContact CB-CB 3.94Å; L61-E65 HydrophobicContact CD2-CB 4.06Å; L61-A69 HydrophobicContact CD1-CB 3.85Å
62D87.7Confident85.4Confident30 Ų3024.7 Ų24.716%0.1614%0.142CC..BIsolated β-bridgetrans-81.4-177.9172.674.137.5000113.1F17 K26 S60 S64 E65 F66 K95F17-D62 WeakPolarHBondContact CE2-O 3.42Å; K26-D62 HydrophobicContact CG-CB 3.91Å; S60-D62 PolarHBondContact O-N 3.06Å; D62-S64 PolarHBondContact O-N 2.78Å; D62-S64 WeakPolarHBondContact OD1-CA 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.37Å; D62-S64 PolarHBondContact OD1-N 3.48Å; D62-E65 VanDerWaalsContact CG-OE2 3.28Å; D62-E65 PolarHBondContact N-OE2 3.45Å; D62-E65 PolarHBondContact O-N 2.97Å; D62-E65 PolarHBondContact OD1-N 2.78Å; D62-F66 VanDerWaalsContact O-CB 3.27Å; D62-F66 WeakPolarHBondContact O-CB 3.25Å; D62-F66 PolarHBondContact O-N 3.36Å; D62-K95 WeakPolarHBondContact OD2-CE 3.34Å; D62-K95 IonicContact OD2-NZ 3.71Å; D62-K95 PolarHBondContact OD2-NZ 3.41Å
63Q88Confident85.5Confident43 Ų4323.7 Ų23.720%0.20114%0.137CC..THydrogen-bonded Turntrans-67.6-19.2-176.4-163-118-95.700114.2R14 F17 I67R14-Q63 HydrophobicContact CG-CG 4.37Å; F17-Q63 HydrophobicContact CB-CG 4.36Å; F17-Q63 HydrophobicContact CD1-CB 3.71Å; F17-Q63 HydrophobicContact CD1-CG 3.34Å; F17-Q63 HydrophobicContact CD2-CB 4.48Å; F17-Q63 HydrophobicContact CE1-CB 3.44Å; F17-Q63 VanDerWaalsContact CE1-CB 3.44Å; F17-Q63 HydrophobicContact CE1-CG 3.63Å; F17-Q63 HydrophobicContact CE2-CB 4.27Å; F17-Q63 HydrophobicContact CG-CB 4.22Å; F17-Q63 HydrophobicContact CG-CG 3.84Å; F17-Q63 HydrophobicContact CZ-CB 3.75Å; F17-Q63 HydrophobicContact CZ-CG 4.35Å; Q63-I67 WeakPolarHBondContact O-CD1 3.41Å; Q63-I67 VanDerWaalsContact O-CG1 3.22Å; Q63-I67 WeakPolarHBondContact O-CG1 3.44Å
64S85.1Confident85.4Confident39 Ų3927 Ų2727%0.27315%0.152SC..THydrogen-bonded Turntrans-90.6-41.8174.9-65.30000110.6D62 I67 I68D62-S64 PolarHBondContact O-N 2.78Å; D62-S64 WeakPolarHBondContact OD1-CA 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.37Å; D62-S64 PolarHBondContact OD1-N 3.48Å; S64-I67 WeakPolarHBondContact O-CB 3.35Å; S64-I67 PolarHBondContact O-N 3.33Å; S64-I68 PolarHBondContact O-N 2.68Å; S64-I68 VanDerWaalsContact O-N 3.14Å
65E88.4Confident85Confident0 Ų027.3 Ų27.30%015%0.153CC..Hα-helixtrans-65.9-38.6175.9-69.6171.6144.400112.5K26 S53 I55 L61 D62 I67 I68 A69 K95K26-E65 IonicContact NZ-OE2 3.13Å; S53-E65 WeakPolarHBondContact O-CB 3.47Å; S53-E65 VanDerWaalsContact O-CG 3.28Å; S53-E65 WeakPolarHBondContact O-CG 3.5Å; I55-E65 WeakPolarHBondContact CB-OE1 3.19Å; I55-E65 HydrophobicContact CD1-CG 4.5Å; I55-E65 PolarHBondContact N-OE1 3.11Å; L61-E65 HydrophobicContact CB-CB 3.94Å; L61-E65 HydrophobicContact CD2-CB 4.06Å; D62-E65 VanDerWaalsContact CG-OE2 3.28Å; D62-E65 PolarHBondContact N-OE2 3.45Å; D62-E65 PolarHBondContact O-N 2.97Å; D62-E65 PolarHBondContact OD1-N 2.78Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 3.39Å; E65-I68 WeakPolarHBondContact O-CB 3.33Å; E65-I68 PolarHBondContact O-N 3.01Å; E65-I68 VanDerWaalsContact O-N 3.17Å; E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.34Å; E65-K95 HydrophobicContact CG-CD 4.4Å; E65-K95 IonicContact OE1-NZ 2.68Å; E65-K95 PolarHBondContact OE1-NZ 3.1Å; E65-K95 IonicContact OE2-NZ 3.34Å; E65-K95 PolarHBondContact OE2-NZ 3.23Å
66F88.7Confident85Confident0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-63.9-32.6173.2-175-94.9000112.4I16 F17 L20 L27 I32 V35 D62 A69 M70I16-F66 HydrophobicContact CB-CE1 4.2Å; I16-F66 HydrophobicContact CG2-CE1 3.9Å; I16-F66 HydrophobicContact CG2-CZ 3.83Å; F17-F66 HydrophobicContact CB-CD1 3.78Å; F17-F66 HydrophobicContact CB-CE1 4.11Å; F17-F66 HydrophobicContact CB-CG 4.45Å; F17-F66 HydrophobicContact CD2-CB 3.53Å; F17-F66 AromaticContact CD2-CD1 3.84Å; F17-F66 HydrophobicContact CD2-CD1 3.84Å; F17-F66 HydrophobicContact CD2-CD2 4.26Å; F17-F66 AromaticContact CD2-CG 3.63Å; F17-F66 HydrophobicContact CD2-CG 3.63Å; F17-F66 HydrophobicContact CE2-CB 3.98Å; F17-F66 HydrophobicContact CE2-CG 4.43Å; F17-F66 HydrophobicContact CG-CD1 4.31Å; L20-F66 HydrophobicContact CD1-CE1 4.46Å; L20-F66 HydrophobicContact CD1-CE2 3.95Å; L20-F66 HydrophobicContact CD1-CZ 3.63Å; L27-F66 HydrophobicContact CD1-CD2 4.15Å; L27-F66 HydrophobicContact CD1-CE2 4.23Å; I32-F66 HydrophobicContact CD1-CD2 4.38Å; V35-F66 HydrophobicContact CG1-CE2 4.49Å; V35-F66 HydrophobicContact CG1-CZ 4.35Å; D62-F66 VanDerWaalsContact O-CB 3.27Å; D62-F66 WeakPolarHBondContact O-CB 3.25Å; D62-F66 PolarHBondContact O-N 3.36Å; F66-A69 PolarHBondContact O-N 2.96Å; F66-M70 HydrophobicContact CE1-CE 3.88Å; F66-M70 HydrophobicContact CE2-CE 4.01Å; F66-M70 HydrophobicContact CZ-CE 3.4Å; F66-M70 WeakPolarHBondContact O-CB 3.21Å; F66-M70 PolarHBondContact O-N 3.01Å
67I87.6Confident85Confident21 Ų2130 Ų3011%0.10817%0.17CC..Hα-helixtrans-67-40173.9-70.3170.7000110.5I5 A10 Y13 R14 Q63 S64 E65 H71I5-I67 HydrophobicContact CD1-CG2 3.89Å; I5-I67 HydrophobicContact CG2-CG2 4.08Å; A10-I67 HydrophobicContact CB-CG2 4.12Å; Y13-I67 HydrophobicContact CD2-CG2 4.26Å; R14-I67 HydrophobicContact CB-CD1 4.26Å; Q63-I67 WeakPolarHBondContact O-CD1 3.41Å; Q63-I67 VanDerWaalsContact O-CG1 3.22Å; Q63-I67 WeakPolarHBondContact O-CG1 3.44Å; S64-I67 WeakPolarHBondContact O-CB 3.35Å; S64-I67 PolarHBondContact O-N 3.33Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 3.39Å; I67-H71 VanDerWaalsContact O-CB 3.31Å; I67-H71 WeakPolarHBondContact O-CB 3.35Å; I67-H71 PolarHBondContact O-N 2.79Å; I67-H71 VanDerWaalsContact O-N 3.09Å
68I85.8Confident84.7Confident3 Ų329.6 Ų29.62%0.01516%0.164CC..Hα-helixtrans-63.4-51.2172.9-67.1164000110.5I5 I55 S64 E65 M70 H71 L72 L86 L90 P92I5-I68 HydrophobicContact CD1-CG1 4.26Å; I55-I68 HydrophobicContact CD1-CD1 3.96Å; S64-I68 PolarHBondContact O-N 2.68Å; S64-I68 VanDerWaalsContact O-N 3.14Å; E65-I68 WeakPolarHBondContact O-CB 3.33Å; E65-I68 PolarHBondContact O-N 3.01Å; E65-I68 VanDerWaalsContact O-N 3.17Å; I68-M70 PolarHBondContact O-N 3.34Å; I68-H71 WeakPolarHBondContact O-CB 3.43Å; I68-H71 PolarHBondContact O-N 3.29Å; I68-H71 VanDerWaalsContact O-N 3.12Å; I68-L72 HydrophobicContact CG2-CD1 3.97Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.25Å; I68-L86 HydrophobicContact CD1-CD2 4.4Å; I68-L86 HydrophobicContact CG2-CD1 3.75Å; I68-L86 HydrophobicContact CG2-CD2 4.23Å; I68-L90 HydrophobicContact CB-CD2 4.37Å; I68-L90 WeakPolarHBondContact CD1-O 3.38Å; I68-L90 HydrophobicContact CG1-CB 4.38Å; I68-L90 HydrophobicContact CG1-CD2 4.26Å; I68-L90 HydrophobicContact CG2-CD2 3.89Å; I68-P92 HydrophobicContact CD1-CG 3.78Å
69A88.2Confident84Confident0 Ų029 Ų290%018%0.176CC..Hα-helixtrans-62.5-42.6-17600000111.4F36 I49 S53 L61 E65 F66 H71 L72 V73F36-A69 HydrophobicContact CE2-CB 4.23Å; F36-A69 HydrophobicContact CZ-CB 3.57Å; I49-A69 HydrophobicContact CG2-CB 4.39Å; S53-A69 VanDerWaalsContact OG-CA 3.24Å; S53-A69 WeakPolarHBondContact OG-CA 3.5Å; S53-A69 VanDerWaalsContact OG-CB 3.24Å; S53-A69 WeakPolarHBondContact OG-CB 3.32Å; L61-A69 HydrophobicContact CD1-CB 3.85Å; E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.34Å; F66-A69 PolarHBondContact O-N 2.96Å; A69-H71 VanDerWaalsContact C-N 3.35Å; A69-H71 PolarHBondContact O-N 3.01Å; A69-L72 PolarHBondContact O-N 3.47Å; A69-V73 WeakPolarHBondContact O-CG2 3.27Å; A69-V73 PolarHBondContact O-N 3.34Å
70M86.9Confident83.2Confident0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-68.1-32.8175.8-165.859.26500112.5Y13 V35 F36 F39 F66 I68 V73 H74Y13-M70 HydrophobicContact CD1-CB 4.01Å; Y13-M70 HydrophobicContact CD1-CG 3.28Å; Y13-M70 HydrophobicContact CD2-CB 3.87Å; Y13-M70 HydrophobicContact CD2-CG 4.05Å; Y13-M70 HydrophobicContact CE1-CB 4.4Å; Y13-M70 HydrophobicContact CE1-CG 3.55Å; Y13-M70 HydrophobicContact CE2-CB 4.28Å; Y13-M70 HydrophobicContact CE2-CG 4.28Å; Y13-M70 HydrophobicContact CG-CB 3.75Å; Y13-M70 HydrophobicContact CG-CG 3.57Å; V35-M70 HydrophobicContact CG1-CE 4.03Å; F36-M70 HydrophobicContact CE1-CE 3.98Å; F39-M70 HydrophobicContact CE1-SD 4.24Å; F39-M70 HydrophobicContact CE2-CE 3.85Å; F39-M70 HydrophobicContact CE2-SD 3.71Å; F39-M70 HydrophobicContact CZ-CE 4.04Å; F39-M70 HydrophobicContact CZ-SD 3.44Å; F39-M70 WeakPolarHBondContact CZ-SD 3.45Å; F66-M70 HydrophobicContact CE1-CE 3.88Å; F66-M70 HydrophobicContact CE2-CE 4.01Å; F66-M70 HydrophobicContact CZ-CE 3.4Å; F66-M70 WeakPolarHBondContact O-CB 3.21Å; F66-M70 PolarHBondContact O-N 3.01Å; I68-M70 PolarHBondContact O-N 3.34Å; M70-V73 HydrophobicContact SD-CG1 4.48Å; M70-H74 PolarHBondContact O-N 2.91Å; M70-H74 VanDerWaalsContact O-N 3.1Å; M70-H74 PolarHBondContact O-ND1 3.25Å
71H82.9Confident82.1Confident22 Ų2238.3 Ų38.310%0.10221%0.21CC..Hα-helixtrans-68.3-40.8171.8-173.3-107.6000111.8I5 Y13 I67 I68 A69 H74 L75I5-H71 HydrophobicContact CD1-CB 4.21Å; I5-H71 HydrophobicContact CG1-CB 4.37Å; I5-H71 HydrophobicContact CG2-CB 4.47Å; Y13-H71 HydrophobicContact CE2-CB 3.92Å; I67-H71 VanDerWaalsContact O-CB 3.31Å; I67-H71 WeakPolarHBondContact O-CB 3.35Å; I67-H71 PolarHBondContact O-N 2.79Å; I67-H71 VanDerWaalsContact O-N 3.09Å; I68-H71 WeakPolarHBondContact O-CB 3.43Å; I68-H71 PolarHBondContact O-N 3.29Å; I68-H71 VanDerWaalsContact O-N 3.12Å; A69-H71 VanDerWaalsContact C-N 3.35Å; A69-H71 PolarHBondContact O-N 3.01Å; H71-H74 PolarHBondContact O-N 3.1Å; H71-L75 VanDerWaalsContact O-CG 3.3Å; H71-L75 WeakPolarHBondContact O-CG 3.34Å; H71-L75 PolarHBondContact O-N 3.32Å
72L85Confident81.1Confident2 Ų239.6 Ų39.61%0.0122%0.216CC..Hα-helixtrans-65.6-37.9173.9-70.4173.3000112.3I49 L52 I68 A69 L75 S76 L82 L86I49-L72 HydrophobicContact CG1-CB 4.24Å; I49-L72 HydrophobicContact CG2-CB 3.85Å; I49-L72 HydrophobicContact CG2-CD1 4.43Å; L52-L72 HydrophobicContact CB-CD1 3.87Å; I68-L72 HydrophobicContact CG2-CD1 3.97Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.25Å; A69-L72 PolarHBondContact O-N 3.47Å; L72-L75 HydrophobicContact CD2-CD1 4.24Å; L72-L75 PolarHBondContact O-N 2.82Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 2.77Å; L72-L82 HydrophobicContact CB-CD2 4.21Å; L72-L82 HydrophobicContact CD2-CD2 4.09Å; L72-L86 HydrophobicContact CD1-CD1 4.08Å
73V85.2Confident79.8Confident0 Ų039.3 Ų39.30%022%0.217CC..Hα-helixtrans-56.6-49.4169.4164.30000110.9F36 F39 L41 I49 A69 M70 L75 S76 L77F36-V73 HydrophobicContact CD1-CG2 4.35Å; F36-V73 HydrophobicContact CD2-CG2 4.42Å; F36-V73 HydrophobicContact CE1-CG2 4Å; F36-V73 HydrophobicContact CE2-CG2 4.07Å; F36-V73 HydrophobicContact CZ-CG2 3.82Å; F39-V73 HydrophobicContact CB-CG1 3.91Å; F39-V73 HydrophobicContact CD1-CG1 3.75Å; F39-V73 HydrophobicContact CD2-CG1 3.98Å; F39-V73 HydrophobicContact CE1-CG1 4.25Å; F39-V73 HydrophobicContact CE2-CG1 4.47Å; F39-V73 HydrophobicContact CG-CG1 3.59Å; L41-V73 HydrophobicContact CD1-CB 4.45Å; L41-V73 HydrophobicContact CD1-CG1 4.03Å; L41-V73 HydrophobicContact CD1-CG2 4.34Å; I49-V73 HydrophobicContact CD1-CG2 3.99Å; I49-V73 HydrophobicContact CG2-CG2 4.25Å; A69-V73 WeakPolarHBondContact O-CG2 3.27Å; A69-V73 PolarHBondContact O-N 3.34Å; M70-V73 HydrophobicContact SD-CG1 4.48Å; V73-L75 PolarHBondContact O-N 2.98Å; V73-S76 PolarHBondContact O-N 2.7Å; V73-L77 HydrophobicContact CG1-CD1 3.93Å; V73-L77 WeakPolarHBondContact O-CG 3.41Å; V73-L77 PolarHBondContact O-N 3.3Å
74H82.4Confident78.6Confident70 Ų7044.9 Ų44.932%0.32425%0.248SC..Hα-helixtrans-63.9-42.5178.7-77.373.9000112.3Y13 M70 H71 S76 L77 E78Y13-H74 AromaticContact CE1-CE1 3.6Å; Y13-H74 AromaticContact CE1-ND1 3.84Å; Y13-H74 AromaticContact CZ-CE1 3.98Å; Y13-H74 AromaticContact CZ-ND1 3.75Å; Y13-H74 VanDerWaalsContact OH-CG 3.3Å; Y13-H74 PolarHBondContact OH-ND1 2.84Å; M70-H74 PolarHBondContact O-N 2.91Å; M70-H74 VanDerWaalsContact O-N 3.1Å; M70-H74 PolarHBondContact O-ND1 3.25Å; H71-H74 PolarHBondContact O-N 3.1Å; H74-S76 VanDerWaalsContact C-N 3.3Å; H74-S76 PolarHBondContact O-N 3.43Å; H74-L77 PolarHBondContact O-N 2.99Å; H74-E78 WeakPolarHBondContact O-CG 3.32Å; H74-E78 PolarHBondContact O-N 3.46Å
75L79.9Confident77.3Confident15 Ų1551.4 Ų51.48%0.07927%0.271CS..Hα-helixtrans-60.6-38.6175.1-70.2165.3000112.3Y3 H71 L72 V73 E78 G79 K80Y3-L75 HydrophobicContact CD1-CD1 3.67Å; Y3-L75 HydrophobicContact CD1-CD2 4.45Å; Y3-L75 HydrophobicContact CE1-CD1 4.03Å; H71-L75 VanDerWaalsContact O-CG 3.3Å; H71-L75 WeakPolarHBondContact O-CG 3.34Å; H71-L75 PolarHBondContact O-N 3.32Å; L72-L75 HydrophobicContact CD2-CD1 4.24Å; L72-L75 PolarHBondContact O-N 2.82Å; V73-L75 PolarHBondContact O-N 2.98Å; L75-E78 PolarHBondContact O-N 2.84Å; L75-G79 PolarHBondContact O-N 3.48Å; L75-K80 HydrophobicContact CD2-CD 3.62Å; L75-K80 WeakPolarHBondContact O-CB 3.5Å; L75-K80 PolarHBondContact O-N 3.23Å
76S80.5Confident76.1Confident24 Ų2451.9 Ų51.917%0.16827%0.274CS..Hα-helixtrans-69.4-34.2175.7-1700000112.8T45 L72 V73 H74 G79T45-S76 VanDerWaalsContact CG2-OG 3.31Å; T45-S76 WeakPolarHBondContact CG2-OG 3.47Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 2.77Å; V73-S76 PolarHBondContact O-N 2.7Å; H74-S76 VanDerWaalsContact C-N 3.3Å; H74-S76 PolarHBondContact O-N 3.43Å; S76-G79 PolarHBondContact O-N 2.86Å
77L80Confident74.6Confident90 Ų9053.5 Ų53.547%0.47128%0.284SS..Hα-helixtrans-72.4-30.5174.3-70.4168.3000112.3F39 L41 V73 H74 G79F39-L77 HydrophobicContact CB-CD1 4.34Å; F39-L77 HydrophobicContact CD1-CD1 3.83Å; F39-L77 HydrophobicContact CG-CD1 4.49Å; L41-L77 HydrophobicContact CD1-CD2 4.47Å; L41-L77 HydrophobicContact CD1-CG 4.35Å; L41-L77 HydrophobicContact CD2-CD2 3.89Å; L41-L77 HydrophobicContact CD2-CG 4.33Å; L41-L77 HydrophobicContact CG-CD2 4.02Å; L41-L77 HydrophobicContact CG-CG 4.42Å; V73-L77 HydrophobicContact CG1-CD1 3.93Å; V73-L77 WeakPolarHBondContact O-CG 3.41Å; V73-L77 PolarHBondContact O-N 3.3Å; H74-L77 PolarHBondContact O-N 2.99Å; L77-G79 PolarHBondContact O-N 3.34Å
78E76.6Confident73Confident121 Ų12161.5 Ų61.557%0.56532%0.318SS*.THydrogen-bonded Turntrans-73.23.6169.2-70.3179.6161.400113.5H74 L75 K80H74-E78 WeakPolarHBondContact O-CG 3.32Å; H74-E78 PolarHBondContact O-N 3.46Å; L75-E78 PolarHBondContact O-N 2.84Å; E78-K80 VanDerWaalsContact C-N 3.26Å; E78-K80 HydrophobicContact CB-CD 4.31Å; E78-K80 HydrophobicContact CB-CG 4.48Å; E78-K80 PolarHBondContact O-N 3.43Å; E78-K80 VanDerWaalsContact OE2-CE 3.32Å; E78-K80 WeakPolarHBondContact OE2-CE 3.24Å; E78-K80 IonicContact OE2-NZ 3.71Å; E78-K80 PolarHBondContact OE2-NZ 3.1Å
79G69.2Low71.5Confident67 Ų6765 Ų6569%0.69134%0.342SS*.THydrogen-bonded Turntrans71.415.4178.600000114.6L75 S76 L77L75-G79 PolarHBondContact O-N 3.48Å; S76-G79 PolarHBondContact O-N 2.86Å; L77-G79 PolarHBondContact O-N 3.34Å
80K68.4Low70.2Confident104 Ų10465.4 Ų65.445%0.45235%0.345SS..PPolyproline II helixtrans-82132.7176.2-65.2164.1-178.6167.30109.3L75 E78 L82L75-K80 HydrophobicContact CD2-CD 3.62Å; L75-K80 WeakPolarHBondContact O-CB 3.5Å; L75-K80 PolarHBondContact O-N 3.23Å; E78-K80 VanDerWaalsContact C-N 3.26Å; E78-K80 HydrophobicContact CB-CD 4.31Å; E78-K80 HydrophobicContact CB-CG 4.48Å; E78-K80 PolarHBondContact O-N 3.43Å; E78-K80 VanDerWaalsContact OE2-CE 3.32Å; E78-K80 WeakPolarHBondContact OE2-CE 3.24Å; E78-K80 IonicContact OE2-NZ 3.71Å; E78-K80 PolarHBondContact OE2-NZ 3.1Å; K80-L82 PolarHBondContact O-N 3.04Å
81I62.4Low69Low153 Ų15366.3 Ų66.379%0.78535%0.35SS*.PPolyproline II helixtrans-61.2125.4177.6-55.4173.9000108.9
82L64.4Low68Low27 Ų2765.9 Ų65.914%0.14135%0.349CS..PPolyproline II helixtrans-63.5134.7175.4-69170.2000109.8T45 K48 I49 L72 K80T45-L82 HydrophobicContact CG2-CD1 3.74Å; K48-L82 HydrophobicContact CB-CD1 4.43Å; I49-L82 HydrophobicContact CD1-CD1 4.16Å; I49-L82 HydrophobicContact CG1-CD1 3.63Å; I49-L82 HydrophobicContact CG1-CD2 4.06Å; L72-L82 HydrophobicContact CB-CD2 4.21Å; L72-L82 HydrophobicContact CD2-CD2 4.09Å; K80-L82 PolarHBondContact O-N 3.04Å
83P61.2Low66.8Low25 Ų2570.4 Ų70.416%0.16238%0.379CS..PPolyproline II helixtrans-74.7130.4178.330.3-33.2000110.6Y3 L52 K85Y3-P83 HydrophobicContact CE2-CG 4.48Å; L52-P83 VanDerWaalsContact CD1-O 3.29Å; L52-P83 WeakPolarHBondContact CD1-O 3.46Å; L52-P83 WeakPolarHBondContact CD2-O 3.18Å; P83-K85 PolarHBondContact O-N 3.48Å
84D61.1Low65.7Low160 Ų16076.7 Ų76.786%0.85641%0.413SS*.SBendtrans-58.3-14.5-177.7-59.8-51.4000115
85K59.3Low64.6Low176 Ų17674 Ų7477%0.76540%0.4SS*.SBendtrans-142.4136.3172.4-61.3-172.5-179.9-175.10108.8P83P83-K85 PolarHBondContact O-N 3.48Å
86L62.1Low63.7Low10 Ų1078.7 Ų78.75%0.05242%0.422CS..  trans-58.5123.1-179.8-167.275.2000109.8I55 I68 L72 L90 V91 F99I55-L86 HydrophobicContact CD1-CD2 3.98Å; I55-L86 HydrophobicContact CG1-CD2 4.49Å; I68-L86 HydrophobicContact CD1-CD2 4.4Å; I68-L86 HydrophobicContact CG2-CD1 3.75Å; I68-L86 HydrophobicContact CG2-CD2 4.23Å; L72-L86 HydrophobicContact CD1-CD1 4.08Å; L86-L90 HydrophobicContact CD1-CB 3.97Å; L86-L90 HydrophobicContact CD1-CD2 4.22Å; L86-L90 HydrophobicContact CD2-CB 4.1Å; L86-L90 HydrophobicContact CG-CB 4.01Å; L86-V91 HydrophobicContact CD2-CG2 4.27Å; L86-F99 HydrophobicContact CB-CZ 3.96Å; L86-F99 HydrophobicContact CD2-CE2 4.36Å; L86-F99 HydrophobicContact CD2-CZ 4.3Å
87P57.7Low62.5Low34 Ų3485.1 Ų85.122%0.22145%0.449CS..  trans-68.9144.5179.428.4-34.3000110Y3 S89 L90Y3-P87 HydrophobicContact CD2-CB 4.42Å; Y3-P87 HydrophobicContact CD2-CG 3.73Å; Y3-P87 HydrophobicContact CE2-CG 4.35Å; Y3-P87 HydrophobicContact CG-CG 4.16Å; P87-S89 PolarHBondContact O-N 3.47Å; P87-L90 HydrophobicContact CG-CD1 4.03Å; P87-L90 PolarHBondContact O-N 2.79Å
88K53.2Low61.4Low189 Ų18987.5 Ų87.582%0.82245%0.452SS*.THydrogen-bonded Turntrans-58.8-9.4-175.8-63.9-168176.3-166.60115.2
89S54.9Low60.3Low75 Ų7585.6 Ų85.652%0.52444%0.442SS..THydrogen-bonded Turntrans-80.2-10.7172.960.90000114.7Y3 P87Y3-S89 WeakPolarHBondContact O-CB 3.46Å; Y3-S89 PolarHBondContact O-OG 2.83Å; P87-S89 PolarHBondContact O-N 3.47Å
90L61.1Low59.3Low9 Ų985.9 Ų85.95%0.04743%0.434CS..SBendtrans-103.5-11.5173.6-8989.3000114.1Y3 I5 I68 L86 P87 P92Y3-L90 HydrophobicContact CG-CD1 4.47Å; Y3-L90 WeakPolarHBondContact O-CD1 3.46Å; I5-L90 HydrophobicContact CD1-CD2 3.93Å; I5-L90 HydrophobicContact CD1-CG 4.15Å; I5-L90 HydrophobicContact CG1-CD2 4.18Å; I5-L90 HydrophobicContact CG1-CG 4.18Å; I68-L90 HydrophobicContact CB-CD2 4.37Å; I68-L90 WeakPolarHBondContact CD1-O 3.38Å; I68-L90 HydrophobicContact CG1-CB 4.38Å; I68-L90 HydrophobicContact CG1-CD2 4.26Å; I68-L90 HydrophobicContact CG2-CD2 3.89Å; L86-L90 HydrophobicContact CD1-CB 3.97Å; L86-L90 HydrophobicContact CD1-CD2 4.22Å; L86-L90 HydrophobicContact CD2-CB 4.1Å; L86-L90 HydrophobicContact CG-CB 4.01Å; P87-L90 HydrophobicContact CG-CD1 4.03Å; P87-L90 PolarHBondContact O-N 2.79Å; L90-P92 WeakPolarHBondContact O-CD 3.33Å
91V62.4Low57.8Low19 Ų1988.3 Ų88.312%0.11545%0.452CS..SBendtrans-66.4123.3-179.6-178.10000108.9L86 E96 F99L86-V91 HydrophobicContact CD2-CG2 4.27Å; V91-E96 HydrophobicContact CG1-CG 4.15Å; V91-F99 HydrophobicContact CB-CD2 4.43Å; V91-F99 HydrophobicContact CG1-CD2 3.83Å; V91-F99 HydrophobicContact CG1-CE2 4.44Å; V91-F99 HydrophobicContact CG1-CG 4.4Å; V91-F99 HydrophobicContact CG2-CD1 4.35Å; V91-F99 HydrophobicContact CG2-CD2 3.64Å; V91-F99 HydrophobicContact CG2-CE1 4.39Å; V91-F99 HydrophobicContact CG2-CE2 3.69Å; V91-F99 HydrophobicContact CG2-CG 4Å; V91-F99 HydrophobicContact CG2-CZ 4.1Å
92P60.9Low56.6Low13 Ų1386.5 Ų86.58%0.08445%0.452CS..  trans-65.3143175.7-18.132.4000109.6I68 L90 D94 K95 E96I68-P92 HydrophobicContact CD1-CG 3.78Å; L90-P92 WeakPolarHBondContact O-CD 3.33Å; P92-D94 PolarHBondContact O-N 2.96Å; P92-D94 VanDerWaalsContact O-N 3.1Å; P92-K95 PolarHBondContact O-N 3.12Å; P92-E96 PolarHBondContact O-N 3.35Å
93P59.5Low55.2Low98 Ų9890.6 Ų90.664%0.63648%0.479SS*.G310 helixtrans-56.5-32.5179.523.4-33.8000111.9K95P93-K95 PolarHBondContact O-N 2.88Å
94D62.1Low53.7Low132 Ų13294.8 Ų94.871%0.70651%0.509SS*.G310 helixtrans-67.5-14.1178.7-51.3-45.4000113.9P92P92-D94 PolarHBondContact O-N 2.96Å; P92-D94 VanDerWaalsContact O-N 3.1Å
95K59.7Low52.6Low14 Ų1494.7 Ų94.76%0.06151%0.506CS..G310 helixtrans-122.88.3-177.2-72.5-167.2167.41790115.2I55 D56 D62 E65 P92 P93 H97 Y98I55-K95 HydrophobicContact CB-CD 4.21Å; I55-K95 HydrophobicContact CG2-CB 4.16Å; I55-K95 HydrophobicContact CG2-CD 4.36Å; D56-K95 IonicContact OD1-NZ 3.92Å; D56-K95 PolarHBondContact OD1-NZ 3.48Å; D56-K95 VanDerWaalsContact OD2-CE 3.32Å; D56-K95 WeakPolarHBondContact OD2-CE 3.47Å; D56-K95 IonicContact OD2-NZ 3.44Å; D56-K95 PolarHBondContact OD2-NZ 2.81Å; D62-K95 WeakPolarHBondContact OD2-CE 3.34Å; D62-K95 IonicContact OD2-NZ 3.71Å; D62-K95 PolarHBondContact OD2-NZ 3.41Å; E65-K95 HydrophobicContact CG-CD 4.4Å; E65-K95 IonicContact OE1-NZ 2.68Å; E65-K95 PolarHBondContact OE1-NZ 3.1Å; E65-K95 IonicContact OE2-NZ 3.34Å; E65-K95 PolarHBondContact OE2-NZ 3.23Å; P92-K95 PolarHBondContact O-N 3.12Å; P93-K95 PolarHBondContact O-N 2.88Å; K95-H97 PolarHBondContact O-N 3.08Å; K95-Y98 HydrophobicContact CB-CD2 4.09Å; K95-Y98 HydrophobicContact CG-CD2 4.08Å; K95-Y98 HydrophobicContact CG-CE2 4.29Å; K95-Y98 PolarHBondContact O-N 3.28Å; K95-Y98 VanDerWaalsContact O-N 3.09Å
96E60.2Low51.3Low113 Ų11393.4 Ų93.453%0.52851%0.508SS..Hα-helixtrans-54.7-29.5177.3-73.5-172.1-170.900113.9V91 P92 Y98 F99 S100V91-E96 HydrophobicContact CG1-CG 4.15Å; P92-E96 PolarHBondContact O-N 3.35Å; E96-Y98 PolarHBondContact O-N 2.96Å; E96-F99 PolarHBondContact O-N 2.92Å; E96-S100 PolarHBondContact O-N 3.48Å; E96-S100 PolarHBondContact O-OG 3.16Å
97H56.8Low49.8Very low159 Ų15998.8 Ų98.874%0.73655%0.546SS*.Hα-helixtrans-63-36.3178-73.3-64000113.6K95 F99 S100K95-H97 PolarHBondContact O-N 3.08Å; H97-F99 VanDerWaalsContact C-N 3.32Å; H97-F99 PolarHBondContact O-N 2.96Å; H97-S100 PolarHBondContact O-N 3.01Å
98Y56.5Low48.9Very low140 Ų140102.3 Ų102.355%0.54957%0.572SS.*Hα-helixtrans-67.2-35.1177.4-66.3-75.5000111.6D56 K95 E96 S100D56-Y98 HydrophobicContact CB-CD1 4.39Å; D56-Y98 HydrophobicContact CB-CD2 4.47Å; D56-Y98 HydrophobicContact CB-CE1 4.12Å; D56-Y98 HydrophobicContact CB-CE2 4.2Å; K95-Y98 HydrophobicContact CB-CD2 4.09Å; K95-Y98 HydrophobicContact CG-CD2 4.08Å; K95-Y98 HydrophobicContact CG-CE2 4.29Å; K95-Y98 PolarHBondContact O-N 3.28Å; K95-Y98 VanDerWaalsContact O-N 3.09Å; E96-Y98 PolarHBondContact O-N 2.96Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 2.95Å
99F54Low48.3Very low81 Ų8199.4 Ų99.436%0.35557%0.57SS.*Hα-helixtrans-73.4-13174-97.6-86.9000114.8I55 L86 V91 E96 H97I55-F99 HydrophobicContact CB-CE2 4.47Å; I55-F99 HydrophobicContact CD1-CE2 4.12Å; I55-F99 HydrophobicContact CG1-CE2 4.06Å; I55-F99 HydrophobicContact CG2-CD2 3.77Å; I55-F99 HydrophobicContact CG2-CE2 3.69Å; L86-F99 HydrophobicContact CB-CZ 3.96Å; L86-F99 HydrophobicContact CD2-CE2 4.36Å; L86-F99 HydrophobicContact CD2-CZ 4.3Å; V91-F99 HydrophobicContact CB-CD2 4.43Å; V91-F99 HydrophobicContact CG1-CD2 3.83Å; V91-F99 HydrophobicContact CG1-CE2 4.44Å; V91-F99 HydrophobicContact CG1-CG 4.4Å; V91-F99 HydrophobicContact CG2-CD1 4.35Å; V91-F99 HydrophobicContact CG2-CD2 3.64Å; V91-F99 HydrophobicContact CG2-CE1 4.39Å; V91-F99 HydrophobicContact CG2-CE2 3.69Å; V91-F99 HydrophobicContact CG2-CG 4Å; V91-F99 HydrophobicContact CG2-CZ 4.1Å; E96-F99 PolarHBondContact O-N 2.92Å; H97-F99 VanDerWaalsContact C-N 3.32Å; H97-F99 PolarHBondContact O-N 2.96Å
100S48Very low47.5Very low73 Ų73103.7 Ų103.751%0.5159%0.586SS.*Hα-helixtrans-92.1-21.9-166.4-67.20000115.1E96 H97 Y98 S102E96-S100 PolarHBondContact O-N 3.48Å; E96-S100 PolarHBondContact O-OG 3.16Å; H97-S100 PolarHBondContact O-N 3.01Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 2.95Å; S100-S102 PolarHBondContact O-N 3.32Å
101N36.5Very low46.2Very low155 Ų155108.5 Ų108.583%0.82962%0.619SS**THydrogen-bonded Turntrans-84.3-8.9-168.1-108.113.5000116T103N101-T103 VanDerWaalsContact C-N 3.33Å; N101-T103 PolarHBondContact O-N 3.38Å
102S36.7Very low44.9Very low114 Ų114115.2 Ų115.280%0.79765%0.654SS**THydrogen-bonded Turntrans-90.516.9-173.5-57.50000114.7S100S100-S102 PolarHBondContact O-N 3.32Å
103T34.9Very low43.8Very low113 Ų113120 Ų12069%0.69369%0.685SS**SBendtrans-140.9132.6178.9-35.70000111.5N101N101-T103 VanDerWaalsContact C-N 3.33Å; N101-T103 PolarHBondContact O-N 3.38Å
104S30.5Very low42.9Very low114 Ų114121 Ų12180%0.79769%0.691SS**  trans68.975.8170.5-59.70000118.9
105I36.8Very low41.9Very low157 Ų157122.4 Ų122.481%0.80570%0.697SS**  trans-139.4158.8136.3-21.5175.2000109.8
106N33.6Very low40.8Very low150 Ų150127.7 Ų127.780%0.80273%0.731SS**  trans72.259.4165.4-56.5-20.8000118.2
107S30.9Very low39.8Very low122 Ų122127.2 Ų127.285%0.85374%0.74SS**  trans-67.3126147.5-47.90000110.2
108S37.7Very low39Very low109 Ų109127.1 Ų127.176%0.76275%0.745SS**  trans-172.8102.7151.2-84.70000114.3
109T40.5Very low38.5Very low127 Ų127127.1 Ų127.178%0.77976%0.759SS**  trans59.1143.1140.655.60000123
110L37.8Very low37.6Very low166 Ų166130.7 Ų130.787%0.86978%0.782SS**  trans74.1106.6169.7-48.8-175.3000115.2
111C35.3Very low37.1Very low109 Ų109137.1 Ų137.174%0.73680%0.801SS**  cis107.210319.1-174.30000113.5
112L35.1Very low37Very low161 Ų161136.8 Ų136.884%0.84380%0.799SS**  trans168.8128.4130.9-91.8165.3000111.3
113P37.1Very low36.7Very low114 Ų114138.8 Ų138.874%0.7480%0.8SS**  trans-114.7-154.7176.244.3-33.1000111.9
114P40.5Very low36.7Very low118 Ų118137.6 Ų137.677%0.76680%0.802SS**  -118.3169.9-106.137.8-20.4000115
115I40.4Very low36.8Very low162 Ų162140.2 Ų140.283%0.83181%0.806SS**  trans-136.1138.6172-64.2-176.8000111.2
116T37.3Very low36.9Very low125 Ų125139 Ų13977%0.76781%0.806SS**  trans-28.2162.3170.662.80000118.2
117S39.7Very low37.2Very low102 Ų102137.1 Ų137.171%0.71380%0.802SS**  cis-157.6162.128.3550000114.3
118D39Very low37.5Very low158 Ų158136.8 Ų136.885%0.84579%0.794SS**  trans-74.7142.7-179.5-39.4-96.9000114.5
119V46.3Very low37.5Very low139 Ų139140.5 Ų140.584%0.84280%0.799SS**  trans-159.2125.6153.7-96.10000109.4
120D35.9Very low37.3Very low157 Ų157139 Ų13984%0.8479%0.794SS**  trans-72.9124.3175.1-68.3-66.7000112.1
121F37Very low37.2Very low208 Ų208136.8 Ų136.891%0.91279%0.788SS**  trans-149.8149.2154.6-98.1-72.4000111.8
122N34Very low37.2Very low148 Ų148136.2 Ų136.279%0.79179%0.785SS**  trans-90.6151.6-174.1-86.6-80.8000113.5
123L31.1Very low37.2Very low156 Ų156136.4 Ų136.482%0.81778%0.781SS**  trans66115.3160.1-91.275.6000120.9
124A33.4Very low37.1Very low88 Ų88137.6 Ų137.673%0.72778%0.781SS**  80.9121.2121.600000123.1
125L33.7Very low36.6Very low168 Ų168138 Ų13888%0.8878%0.777SS**  trans68.8105.6139-108.974.9000122.7
126V38.8Very low36.2Very low133 Ų133134.6 Ų134.681%0.80677%0.767SS**  trans-166.4177.4138.9-103.90000107.7
127P39Very low36Very low110 Ų110138.8 Ų138.871%0.71477%0.769SS**  cis-129.9142.6-813.112.9000117.4
128V38.2Very low35.8Very low115 Ų115140.1 Ų140.170%0.69776%0.764SS**  60.9129113.1-176.80000122.6
129Q37.9Very low35.5Very low186 Ų186136.3 Ų136.387%0.86975%0.75SS**  178.7157.6119.3-91.5168.9102.600108.5
130S35.6Very low34.8Very low96 Ų96134.9 Ų134.967%0.67174%0.742SS**  cis-169.5-178.8-30.2-79.90000106.3
131T35.9Very low34.7Very low120 Ų120134 Ų13474%0.73673%0.732SS**  cis-147.1177.710.5480000110
132S35.8Very low34.6Very low97 Ų97134 Ų13468%0.67873%0.728SS**  trans49.6125.8138.164.50000122
133E35.2Very low34.6Very low164 Ų164131.7 Ų131.777%0.76671%0.714SS**  cis-155.7162.8-1.8-54-161.2113.300112.1
134L34.4Very low34.6Very low140 Ų140130 Ų13073%0.73372%0.716SS**  trans52.1137139.9-71.4166.3000121.1
135N31Very low34.6Very low127 Ų127130 Ų13068%0.67972%0.716SS**  cis-168136.91.4-174.925.4000112.6
136S30.9Very low34.6Very low90 Ų90129.9 Ų129.963%0.62972%0.715SS**  trans57.8153.9151.269.30000120.8
137R33.9Very low34.3Very low213 Ų213129.5 Ų129.580%0.80471%0.712SS**  cis-174159.4-12-106.5177.488.7-174.25.9105.9
138Q35.8Very low34.1Very low129 Ų129130.1 Ų130.160%0.60372%0.719SS**  cis-168.6159-9.7-161.3-164-68.900107.8
139S32Very low33.8Very low78 Ų78128.4 Ų128.455%0.54572%0.718SS.*  trans55.9122.2156.6-68.80000119.6
140T32Very low33.7Very low110 Ų110129 Ų12968%0.67572%0.718SS**  68.6137.559.874.10000114.2
141E32.6Very low33.9Very low137 Ų137129.9 Ų129.964%0.6472%0.721SS**  cis-165160.424.4-128.4150.7-10100116.1
142Y35Very low33.8Very low209 Ų209129.1 Ų129.182%0.8273%0.727SS**  trans65.8156.4154-63.2-45.2000126.2
143I34Very low33.6Very low100 Ų100127.9 Ų127.951%0.51373%0.729SS.*  trans-148.6163.6-161.4-55.7170.6000109.2L680I143-L680 HydrophobicContact CD1-CB 3.94Å; I143-L680 HydrophobicContact CD1-CD2 4.31Å
144S31.5Very low33.6Very low121 Ų121128.8 Ų128.885%0.84673%0.734SS**  trans107.2152.2166.6-52.90000115.3
145A34.4Very low33.4Very low88 Ų88127.6 Ų127.673%0.72773%0.732SS**  cis-156.5141.6-19.200000106.7
146L32.3Very low33.6Very low165 Ų165128.8 Ų128.886%0.86474%0.738SS**  66.7142.275.4-110.3-178.2000116.4
147V33.7Very low33.7Very low124 Ų124129.5 Ų129.575%0.75274%0.739SS**  trans76.3107.1170.1-174.70000119.2
148S34Very low33.9Very low123 Ų123126.3 Ų126.386%0.8674%0.743SS**  176.6158.9124.2-78.40000111.3
149A32.5Very low33.8Very low80 Ų80128.1 Ų128.166%0.66175%0.751SS**  trans-148.6152.1-177.700000114.2
150F34.7Very low33.9Very low199 Ų199128.6 Ų128.687%0.87376%0.755SS**  trans68.3163.2171.5-58.5-69.9000116.2
151P39.3Very low34.2Very low114 Ų114129 Ų12974%0.7476%0.757SS**  -139-176-7539-20.7000115.4
152A34.5Very low34.6Very low104 Ų104129.8 Ų129.886%0.8676%0.76SS**  trans80.9151.7160.800000119.1
153G32.3Very low34.8Very low70 Ų70126 Ų12672%0.72276%0.759SS**  trans101103.216500000117
154E34.7Very low35Very low184 Ų184126.7 Ų126.786%0.8677%0.769SS**  21.2145.9126.8-57.3-176.6-176.300120.8
155T30.9Very low35.7Very low115 Ų115126 Ų12671%0.70676%0.761SS**  cis-165.1-178.3-8.229.60000108.8
156L34.9Very low35.9Very low151 Ų151126.9 Ų126.979%0.79176%0.758SS**  trans77.8100157.9-67164.9000120.4
157T32Very low36.1Very low106 Ų106125.9 Ų125.965%0.6576%0.758SS**  73108.4120.1-50.50000120.6
158T37.8Very low36.2Very low146 Ų146130.5 Ų130.590%0.89676%0.762SS**  -152.1139.5122.7-3.70000112.8
159Q33.8Very low36.1Very low166 Ų166128.7 Ų128.778%0.77676%0.755SS**  trans-64164.7-178.4-56.6158.86.700110.8
160S35.5Very low36.2Very low89 Ų89132.6 Ų132.662%0.62276%0.764SS**  cis-178149.449.1-141.10000114.8
161T37Very low36Very low118 Ų118128.6 Ų128.672%0.72476%0.76SS**  trans67.4148.8159.976.80000118.6
162H41.4Very low35.7Very low153 Ų153127 Ų12771%0.70875%0.752SS**  cis-160.1145.6-6.239.5-82.8000113.3
163T38.9Very low35.6Very low130 Ų130130.2 Ų130.280%0.79875%0.749SS**  trans49.9140.7146.256.60000123.6
164T39.5Very low35.5Very low115 Ų115135.1 Ų135.171%0.70675%0.753SS**  trans-74170.216653.30000113.3
165P45.6Very low35.7Very low107 Ų107131 Ų13170%0.69574%0.742SS**  -122.2138.4105.735.3-32.4000111.2
166T38.6Very low35.7Very low106 Ų106136.6 Ų136.665%0.6575%0.752SS**  71.6110.256.6-560000111.8W168T166-W168 PolarHBondContact O-N 3.06Å
167V36.8Very low35.3Very low143 Ų143137 Ų13787%0.86775%0.754SS**PPolyproline II helixtrans-63.6127.2177.1178.90000109.8
168W36.1Very low35.3Very low221 Ų221139.1 Ų139.184%0.83776%0.757SS**PPolyproline II helixtrans-85.4118.5174.7-81.268.8000110.5T166T166-W168 PolarHBondContact O-N 3.06Å
169A31.3Very low34.8Very low86 Ų86137.8 Ų137.871%0.71175%0.753SS**PPolyproline II helixtrans-89.7149.9169.900000110.6
170L34.9Very low35.1Very low162 Ų162137.8 Ų137.885%0.84875%0.747SS**  trans-144.880163.1-117.8152.8000110.5
171S30.9Very low35.5Very low114 Ų114141 Ų14180%0.79776%0.757SS**  trans-78.9131.8159.9172.80000109.1
172S31.7Very low36.2Very low81 Ų81139.2 Ų139.257%0.56674%0.74SS**  trans173.3165139.351.60000112.8
173H33.2Very low36.9Very low172 Ų172135 Ų13580%0.79673%0.725SS**  trans79.971.1163.6-59100.9000120.4
174Q30.2Very low37.8Very low172 Ų172137.4 Ų137.480%0.80473%0.728SS**  -59.9173.4123.9-76.9-106.6-42.800111.3
175P38.3Very low39.3Very low97 Ų97134 Ų13463%0.6370%0.702SS**  cis-133.4166.1-32.135.5-20.2000113.1
176Y31.6Very low40.4Very low234 Ų234131.6 Ų131.692%0.91869%0.691SS**  trans-148.3145.4150.323.5-93000112.7
177L27.2Very low41.9Very low160 Ų160126.8 Ų126.884%0.83866%0.662SS**  trans-90.1148-178.9-53.8169.7000110
178Q30.7Very low43.8Very low150 Ų150123.1 Ų123.170%0.70164%0.642SS**  -175143.3114.9-100160.2-6.400111.9Y180Q178-Y180 HydrophobicContact CB-CE2 3.99Å; Q178-Y180 WeakPolarHBondContact O-CD2 3.49Å
179S28.4Very low45.7Very low117 Ų117116.3 Ų116.382%0.81863%0.633SS**  trans-82.4113.8173178.60000109.3N181S179-N181 PolarHBondContact O-N 2.74Å
180Y40.3Very low48.1Very low167 Ų167117.7 Ų117.766%0.65563%0.629SS**  trans-93.788.9174.6-70.3-82.2000109.9Q178 F182Q178-Y180 HydrophobicContact CB-CE2 3.99Å; Q178-Y180 WeakPolarHBondContact O-CD2 3.49Å; Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 WeakPolarHBondContact O-CD2 3.43Å; Y180-F182 PolarHBondContact O-N 3.37Å
181N43.8Very low50.3Low156 Ų156111.8 Ų111.883%0.83460%0.597SS**  trans-75.180.2174.7-164.429000109.7S179S179-N181 PolarHBondContact O-N 2.74Å
182F49.9Very low52.7Low81 Ų81108.6 Ų108.636%0.35557%0.569SS.*PPolyproline II helixtrans-62.5133.5-179.9-81.1-86.3000111Y180Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 WeakPolarHBondContact O-CD2 3.43Å; Y180-F182 PolarHBondContact O-N 3.37Å
183P57.1Low55.2Low63 Ų63106.9 Ų106.941%0.40956%0.56SS.*PPolyproline II helixtrans-62.9154.8177.726.5-34.4000112.1A276 R283P183-A276 HydrophobicContact CB-CB 4.43Å; P183-A276 HydrophobicContact CG-CB 4.07Å; P183-R283 PolarHBondContact O-NH1 3.49Å; P183-R283 PolarHBondContact O-NH2 3.49Å
184E57.6Low57.7Low182 Ų182104.6 Ų104.685%0.8555%0.548SS*.PPolyproline II helixtrans-55.3145.9169.8-165.6166.9-170.300110.3A186E184-A186 PolarHBondContact O-N 3.15Å
185W71Confident60.3Low43 Ų4397 Ų9716%0.16351%0.513CS..PPolyproline II helixtrans-68.6125.2-175.1-171.142.5000109.8I187 H192 T250 A276 L277W185-I187 HydrophobicContact CD2-CB 4.16Å; W185-I187 HydrophobicContact CE3-CB 4.38Å; W185-I187 HydrophobicContact CZ2-CB 4.27Å; W185-I187 HydrophobicContact CZ2-CD1 3.93Å; W185-I187 HydrophobicContact CZ2-CG1 4.42Å; W185-I187 PolarHBondContact O-N 3.47Å; W185-I187 VanDerWaalsContact O-N 3.14Å; W185-H192 HydrophobicContact CH2-CB 3.96Å; W185-H192 AromaticContact CH2-CD2 3.94Å; W185-H192 AromaticContact CH2-CG 3.68Å; W185-H192 AromaticContact CH2-ND1 3.89Å; W185-H192 HydrophobicContact CZ3-CB 3.78Å; W185-H192 AromaticContact CZ3-CG 3.67Å; W185-H192 AromaticContact CZ3-ND1 3.6Å; W185-T250 HydrophobicContact CH2-CG2 3.78Å; W185-T250 HydrophobicContact CZ2-CG2 4.01Å; W185-A276 WeakPolarHBondContact CA-O 3.4Å; W185-L277 PolarHBondContact NE1-O 3.4Å
186A67.8Low62.6Low57 Ų5796.1 Ų96.147%0.47150%0.502SS..SBendtrans-70.3-10.8-170.400000114.3E184 A276 L277E184-A186 PolarHBondContact O-N 3.15Å; A186-A276 HydrophobicContact CB-CB 4.03Å; A186-A276 PolarHBondContact N-O 3.24Å; A186-L277 HydrophobicContact CB-CD2 4Å; A186-L277 HydrophobicContact CB-CG 4.43Å
187I71.1Confident65.2Low5 Ų594.5 Ų94.53%0.02649%0.494CS..SBendtrans-89.2124178.1-52.8-176.2000108.9W185 E191 T250 V251 H254 L277W185-I187 HydrophobicContact CD2-CB 4.16Å; W185-I187 HydrophobicContact CE3-CB 4.38Å; W185-I187 HydrophobicContact CZ2-CB 4.27Å; W185-I187 HydrophobicContact CZ2-CD1 3.93Å; W185-I187 HydrophobicContact CZ2-CG1 4.42Å; W185-I187 PolarHBondContact O-N 3.47Å; W185-I187 VanDerWaalsContact O-N 3.14Å; I187-E191 HydrophobicContact CG2-CB 3.84Å; I187-E191 HydrophobicContact CG2-CG 3.87Å; I187-T250 HydrophobicContact CD1-CG2 3.92Å; I187-T250 HydrophobicContact CG2-CG2 3.88Å; I187-V251 HydrophobicContact CD1-CB 4.2Å; I187-V251 HydrophobicContact CD1-CG2 3.68Å; I187-H254 HydrophobicContact CD1-CB 3.86Å; I187-H254 HydrophobicContact CG1-CB 4.28Å; I187-L277 HydrophobicContact CD1-CD2 3.95Å; I187-L277 HydrophobicContact CG1-CD2 3.58Å
188S77.6Confident68Low65 Ų6589.1 Ų89.146%0.45547%0.468SS..  trans-60.1143.6177.6177.90000111.3D190 E191 H192S188-D190 PolarHBondContact O-N 3.28Å; S188-D190 VanDerWaalsContact O-N 3.16Å; S188-D190 PolarHBondContact OG-N 2.82Å; S188-E191 WeakPolarHBondContact O-CA 3.34Å; S188-E191 WeakPolarHBondContact O-CB 3.41Å; S188-E191 PolarHBondContact O-N 2.88Å; S188-H192 PolarHBondContact O-N 2.95Å
189A75.9Confident70.7Confident79 Ų7982.4 Ų82.465%0.65344%0.437SS*.Hα-helixtrans-55.2-32.9174.100000112.5E191 A193A189-E191 VanDerWaalsContact C-N 3.29Å; A189-E191 PolarHBondContact O-N 2.83Å; A189-A193 VanDerWaalsContact O-CB 3.25Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.33Å
190D81.4Confident73.4Confident115 Ų11580.2 Ų80.262%0.61543%0.426SS*.Hα-helixtrans-69.8-22.1174.2-77.1-31.4000113.8S188 K194S188-D190 PolarHBondContact O-N 3.28Å; S188-D190 VanDerWaalsContact O-N 3.16Å; S188-D190 PolarHBondContact OG-N 2.82Å; D190-K194 WeakPolarHBondContact O-CD 3.37Å; D190-K194 WeakPolarHBondContact O-CE 3.39Å; D190-K194 VanDerWaalsContact O-CG 3.23Å; D190-K194 WeakPolarHBondContact O-CG 3.16Å; D190-K194 PolarHBondContact O-NZ 2.77Å
191E81.7Confident75.6Confident37 Ų3775.8 Ų75.817%0.17342%0.424CS..Hα-helixtrans-88.2-43.7175.4-176.8169.4-166.900110.4I187 S188 A189 A193 K194 N195 H254I187-E191 HydrophobicContact CG2-CB 3.84Å; I187-E191 HydrophobicContact CG2-CG 3.87Å; S188-E191 WeakPolarHBondContact O-CA 3.34Å; S188-E191 WeakPolarHBondContact O-CB 3.41Å; S188-E191 PolarHBondContact O-N 2.88Å; A189-E191 VanDerWaalsContact C-N 3.29Å; A189-E191 PolarHBondContact O-N 2.83Å; E191-A193 VanDerWaalsContact C-N 3.3Å; E191-A193 PolarHBondContact O-N 3.18Å; E191-K194 WeakPolarHBondContact O-CB 3.39Å; E191-K194 PolarHBondContact O-N 2.85Å; E191-N195 VanDerWaalsContact O-CG 3.23Å; E191-N195 PolarHBondContact O-N 2.67Å; E191-N195 PolarHBondContact O-OD1 2.89Å; E191-H254 IonicContact OE1-CG 2.63Å; E191-H254 IonicContact OE1-ND1 3.63Å; E191-H254 PolarHBondContact OE1-ND1 3.32Å; E191-H254 IonicContact OE2-CE1 3.56Å; E191-H254 PolarHBondContact OE2-CE1 3.18Å; E191-H254 IonicContact OE2-ND1 2.63Å; E191-H254 PolarHBondContact OE2-ND1 2.82Å
192H81.1Confident77.5Confident47 Ų4769.4 Ų69.422%0.21839%0.389CS..Hα-helixtrans-54.4-46.3168.9-178.5-154.1000111.6W185 S188 K194 N195 L196 T250W185-H192 HydrophobicContact CH2-CB 3.96Å; W185-H192 AromaticContact CH2-CD2 3.94Å; W185-H192 AromaticContact CH2-CG 3.68Å; W185-H192 AromaticContact CH2-ND1 3.89Å; W185-H192 HydrophobicContact CZ3-CB 3.78Å; W185-H192 AromaticContact CZ3-CG 3.67Å; W185-H192 AromaticContact CZ3-ND1 3.6Å; S188-H192 PolarHBondContact O-N 2.95Å; H192-K194 PolarHBondContact O-N 3.16Å; H192-N195 PolarHBondContact O-N 3.41Å; H192-L196 WeakPolarHBondContact O-CB 3.4Å; H192-L196 PolarHBondContact O-N 3.1Å; H192-T250 HydrophobicContact CB-CG2 4.03Å; H192-T250 PolarHBondContact CD2-OG1 3.21Å
193A83.8Confident79.2Confident46 Ų4667 Ų6738%0.3838%0.38SS..Hα-helixtrans-65.6-21.7178.200000114.4A189 E191 R197A189-A193 VanDerWaalsContact O-CB 3.25Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.33Å; E191-A193 VanDerWaalsContact C-N 3.3Å; E191-A193 PolarHBondContact O-N 3.18Å; A193-R197 WeakPolarHBondContact O-CG 3.19Å
194K86.2Confident80.3Confident124 Ų12472 Ų7254%0.53940%0.4SS..Hα-helixtrans-80.4-48.1170.7-70.7161.3-164.6144.10110.4D190 E191 H192 L196 R197 V198D190-K194 WeakPolarHBondContact O-CD 3.37Å; D190-K194 WeakPolarHBondContact O-CE 3.39Å; D190-K194 VanDerWaalsContact O-CG 3.23Å; D190-K194 WeakPolarHBondContact O-CG 3.16Å; D190-K194 PolarHBondContact O-NZ 2.77Å; E191-K194 WeakPolarHBondContact O-CB 3.39Å; E191-K194 PolarHBondContact O-N 2.85Å; H192-K194 PolarHBondContact O-N 3.16Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3Å; K194-R197 WeakPolarHBondContact O-CB 3.44Å; K194-R197 PolarHBondContact O-N 2.73Å; K194-R197 VanDerWaalsContact O-N 3.1Å; K194-V198 PolarHBondContact O-N 2.85Å
195N83.6Confident81.6Confident13 Ų1369.3 Ų69.37%0.0739%0.392CS..Hα-helixtrans-66.6-37.9-175.7-61.5-9.9000110.8E191 H192 R197 V198 F199 F249 T250 M253E191-N195 VanDerWaalsContact O-CG 3.23Å; E191-N195 PolarHBondContact O-N 2.67Å; E191-N195 PolarHBondContact O-OD1 2.89Å; H192-N195 PolarHBondContact O-N 3.41Å; N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 2.77Å; N195-V198 WeakPolarHBondContact O-CB 3.38Å; N195-V198 PolarHBondContact O-N 2.96Å; N195-F199 PolarHBondContact O-N 3.29Å; N195-F249 WeakPolarHBondContact O-CE1 3.35Å; N195-T250 HydrophobicContact CB-CG2 4.08Å; N195-T250 WeakPolarHBondContact CB-OG1 3.48Å; N195-T250 PolarHBondContact ND2-O 3.34Å; N195-M253 HydrophobicContact CB-CB 4.44Å; N195-M253 WeakPolarHBondContact OD1-CG 3.49Å
196L86.2Confident82.2Confident78 Ų7871.3 Ų71.341%0.40842%0.418SS..Hα-helixtrans-58.3-33.7171.2178.364.1000113.5H192 K194 V198 F199 A200 S246H192-L196 WeakPolarHBondContact O-CB 3.4Å; H192-L196 PolarHBondContact O-N 3.1Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3Å; L196-V198 VanDerWaalsContact C-N 3.32Å; L196-F199 PolarHBondContact O-N 2.55Å; L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.02Å; L196-S246 VanDerWaalsContact CD1-OG 3.29Å; L196-S246 WeakPolarHBondContact CD1-OG 3.44Å
197R87.5Confident83Confident199 Ų19973 Ų7375%0.75142%0.418SS*.Hα-helixtrans-72.7-26.1174.4-71.1177.9-174.9166.64.3113.1A193 K194 N195A193-R197 WeakPolarHBondContact O-CG 3.19Å; K194-R197 WeakPolarHBondContact O-CB 3.44Å; K194-R197 PolarHBondContact O-N 2.73Å; K194-R197 VanDerWaalsContact O-N 3.1Å; N195-R197 VanDerWaalsContact C-N 3.3Å; N195-R197 PolarHBondContact O-N 2.77Å
198V85.7Confident83.5Confident48 Ų4874.3 Ų74.329%0.29143%0.433SS..Hα-helixtrans-80.8-38.7174.1-175.50000109.7K194 N195 L196 A201 L202 I218 F249K194-V198 PolarHBondContact O-N 2.85Å; N195-V198 WeakPolarHBondContact O-CB 3.38Å; N195-V198 PolarHBondContact O-N 2.96Å; L196-V198 VanDerWaalsContact C-N 3.32Å; V198-A201 CarbonylContact O-C 3.6Å; V198-A201 PolarHBondContact O-N 2.98Å; V198-A201 VanDerWaalsContact O-N 3.13Å; V198-L202 PolarHBondContact O-N 3.13Å; V198-I218 HydrophobicContact CG1-CD1 3.45Å; V198-I218 VanDerWaalsContact CG1-CD1 3.45Å; V198-I218 HydrophobicContact CG1-CG2 4.07Å; V198-F249 HydrophobicContact CB-CE1 4.06Å; V198-F249 HydrophobicContact CB-CZ 4.19Å; V198-F249 HydrophobicContact CG1-CE1 4.2Å; V198-F249 HydrophobicContact CG1-CZ 3.8Å
199F86.9Confident83.9Confident8 Ų873.9 Ų73.94%0.03543%0.426CS..Hα-helixtrans-57-53.6172.1-171.5-93.2000111.7N195 L196 A201 L202 D203 G208 V210 L244 F249N195-F199 PolarHBondContact O-N 3.29Å; L196-F199 PolarHBondContact O-N 2.55Å; F199-A201 PolarHBondContact O-N 3.08Å; F199-L202 PolarHBondContact O-N 2.89Å; F199-D203 HydrophobicContact CD1-CB 4.4Å; F199-D203 HydrophobicContact CE1-CB 4.15Å; F199-D203 WeakPolarHBondContact O-CB 3.48Å; F199-D203 PolarHBondContact O-N 3.42Å; F199-G208 WeakPolarHBondContact CZ-O 3.49Å; F199-V210 HydrophobicContact CD2-CB 4.45Å; F199-V210 HydrophobicContact CD2-CG2 3.69Å; F199-V210 HydrophobicContact CE1-CG2 4.28Å; F199-V210 HydrophobicContact CE2-CB 3.95Å; F199-V210 HydrophobicContact CE2-CG2 3.37Å; F199-V210 HydrophobicContact CG-CG2 4.3Å; F199-V210 HydrophobicContact CZ-CB 4.49Å; F199-V210 HydrophobicContact CZ-CG2 3.69Å; F199-L244 WeakPolarHBondContact CE2-O 3.35Å; F199-F249 HydrophobicContact CB-CD1 3.91Å; F199-F249 HydrophobicContact CB-CE1 4.15Å; F199-F249 HydrophobicContact CB-CG 4.49Å; F199-F249 HydrophobicContact CD2-CB 3.59Å; F199-F249 AromaticContact CD2-CD1 3.9Å; F199-F249 HydrophobicContact CD2-CD1 3.9Å; F199-F249 HydrophobicContact CD2-CD2 4.2Å; F199-F249 AromaticContact CD2-CG 3.64Å; F199-F249 HydrophobicContact CD2-CG 3.64Å; F199-F249 HydrophobicContact CE2-CB 3.99Å; F199-F249 HydrophobicContact CE2-CG 4.42Å; F199-F249 HydrophobicContact CG-CD1 4.41Å
200A85.5Confident84.3Confident72 Ų7270.2 Ų70.260%0.59540%0.395SS*.THydrogen-bonded Turntrans-69.77.5176.200000114.8L196L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.02Å
201A85.5Confident84.5Confident73 Ų7366.8 Ų66.860%0.60338%0.38SS*.THydrogen-bonded Turntrans-115.9016900000112.7V198 F199V198-A201 CarbonylContact O-C 3.6Å; V198-A201 PolarHBondContact O-N 2.98Å; V198-A201 VanDerWaalsContact O-N 3.13Å; F199-A201 PolarHBondContact O-N 3.08Å
202L84.4Confident84.4Confident22 Ų2265.9 Ų65.912%0.11538%0.381CS..THydrogen-bonded Turntrans-109.5-40.2169.5-72.9-176.1000111.8V198 F199 M204 V210 E214 I218 F249V198-L202 PolarHBondContact O-N 3.13Å; F199-L202 PolarHBondContact O-N 2.89Å; L202-M204 PolarHBondContact O-N 2.82Å; L202-V210 HydrophobicContact CB-CB 4.5Å; L202-V210 HydrophobicContact CB-CG1 3.68Å; L202-V210 HydrophobicContact CB-CG2 3.86Å; L202-V210 HydrophobicContact CD1-CG1 3.87Å; L202-V210 HydrophobicContact CG-CG1 4.41Å; L202-E214 HydrophobicContact CD2-CB 4.26Å; L202-I218 HydrophobicContact CD1-CD1 3.78Å; L202-I218 HydrophobicContact CD1-CG1 4.18Å; L202-I218 HydrophobicContact CD2-CD1 3.59Å; L202-I218 HydrophobicContact CD2-CG1 3.96Å; L202-I218 HydrophobicContact CG-CD1 3.67Å; L202-I218 HydrophobicContact CG-CG1 4.38Å; L202-F249 HydrophobicContact CD1-CE2 3.76Å; L202-F249 HydrophobicContact CD1-CZ 4.16Å
203D85.7Confident84.5Confident30 Ų3068.1 Ų68.116%0.1640%0.4CS..  trans-64.190.6172.7-177.3-2.1000109.2F199 A206 D207 G208 V210F199-D203 HydrophobicContact CD1-CB 4.4Å; F199-D203 HydrophobicContact CE1-CB 4.15Å; F199-D203 WeakPolarHBondContact O-CB 3.48Å; F199-D203 PolarHBondContact O-N 3.42Å; D203-A206 WeakPolarHBondContact OD1-CA 3.49Å; D203-A206 PolarHBondContact OD1-N 3.5Å; D203-D207 PolarHBondContact OD1-N 2.81Å; D203-D207 VanDerWaalsContact OD1-N 3.15Å; D203-G208 WeakPolarHBondContact OD2-CA 3.43Å; D203-G208 PolarHBondContact OD2-N 2.85Å; D203-G208 VanDerWaalsContact OD2-N 3.15Å; D203-V210 HydrophobicContact CB-CG2 3.93Å
204M81.2Confident84.5Confident169 Ų16969 Ų6983%0.83340%0.396SS*.SBendtrans-88.5-23.1-172.8-80.3-168.660.100113.2L202L202-M204 PolarHBondContact O-N 2.82Å
205D84.7Confident84.3Confident125 Ų12563.1 Ų63.167%0.66837%0.371SS*.SBendtrans-101-5.517841.6-21.8000114
206A81.9Confident84.3Confident86 Ų8668.3 Ų68.371%0.71139%0.389SS*.  trans62.237.4176.700000113.7D203D203-A206 WeakPolarHBondContact OD1-CA 3.49Å; D203-A206 PolarHBondContact OD1-N 3.5Å
207D85.1Confident84.1Confident91 Ų9169.1 Ų69.149%0.48739%0.394SS..SBendtrans-88.6-12.5179.694.9-29.7000113.4D203 L209D203-D207 PolarHBondContact OD1-N 2.81Å; D203-D207 VanDerWaalsContact OD1-N 3.15Å; D207-L209 WeakPolarHBondContact OD1-CA 3.29Å; D207-L209 VanDerWaalsContact OD1-CB 3.28Å; D207-L209 WeakPolarHBondContact OD1-CB 3.44Å; D207-L209 PolarHBondContact OD1-N 3.11Å
208G82.9Confident83.9Confident33 Ų3361.4 Ų61.434%0.3437%0.367SS..SBendtrans88.79.7-17900000114.7F199 D203F199-G208 WeakPolarHBondContact CZ-O 3.49Å; D203-G208 WeakPolarHBondContact OD2-CA 3.43Å; D203-G208 PolarHBondContact OD2-N 2.85Å; D203-G208 VanDerWaalsContact OD2-N 3.15Å
209L85.7Confident83.7Confident56 Ų5659.4 Ų59.429%0.29336%0.355SS..EExtended strand (participates in β ladder)trans-123.1161.5174.5-53.7174.2000109.9D207 L243 L244 N245D207-L209 WeakPolarHBondContact OD1-CA 3.29Å; D207-L209 VanDerWaalsContact OD1-CB 3.28Å; D207-L209 WeakPolarHBondContact OD1-CB 3.44Å; D207-L209 PolarHBondContact OD1-N 3.11Å; L209-L243 HydrophobicContact CB-CB 4.35Å; L209-L243 HydrophobicContact CB-CD2 4.37Å; L209-L243 HydrophobicContact CD1-CB 4.24Å; L209-L243 HydrophobicContact CD1-CD1 4.21Å; L209-L244 CarbonylContact C-O 3.59Å; L209-L244 WeakPolarHBondContact CA-O 3.38Å; L209-N245 HydrophobicContact CD2-CB 4Å
210V84.1Confident83.5Confident2 Ų263 Ų631%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-136.6137.7170177.40000109.3F199 L202 D203 E214 V215 L244F199-V210 HydrophobicContact CD2-CB 4.45Å; F199-V210 HydrophobicContact CD2-CG2 3.69Å; F199-V210 HydrophobicContact CE1-CG2 4.28Å; F199-V210 HydrophobicContact CE2-CB 3.95Å; F199-V210 HydrophobicContact CE2-CG2 3.37Å; F199-V210 HydrophobicContact CG-CG2 4.3Å; F199-V210 HydrophobicContact CZ-CB 4.49Å; F199-V210 HydrophobicContact CZ-CG2 3.69Å; L202-V210 HydrophobicContact CB-CB 4.5Å; L202-V210 HydrophobicContact CB-CG1 3.68Å; L202-V210 HydrophobicContact CB-CG2 3.86Å; L202-V210 HydrophobicContact CD1-CG1 3.87Å; L202-V210 HydrophobicContact CG-CG1 4.41Å; D203-V210 HydrophobicContact CB-CG2 3.93Å; V210-E214 HydrophobicContact CG1-CB 3.61Å; V210-V215 HydrophobicContact CB-CG2 4.07Å; V210-V215 HydrophobicContact CG1-CG2 3.52Å; V210-L244 PolarHBondContact N-O 3.39Å; V210-L244 PolarHBondContact O-N 3.19Å
211S84.3Confident83.3Confident43 Ų4368.7 Ų68.730%0.30138%0.379SS..EExtended strand (participates in β ladder)trans-78150.2-175.5-51.70000112.4P213 E214 V215S211-P213 VanDerWaalsContact C-CD 3.42Å; S211-P213 VanDerWaalsContact C-N 3.33Å; S211-P213 VanDerWaalsContact O-N 3.15Å; S211-E214 WeakPolarHBondContact CA-OE2 3.22Å; S211-E214 WeakPolarHBondContact CB-OE2 3.4Å; S211-E214 PolarHBondContact N-OE2 2.99Å; S211-E214 WeakPolarHBondContact O-CB 3.45Å; S211-E214 PolarHBondContact O-N 3.06Å; S211-E214 PolarHBondContact OG-OE2 3.45Å; S211-V215 PolarHBondContact O-N 2.95Å
212G81.4Confident82.9Confident19 Ų1966.8 Ų66.820%0.19636%0.361CS..Hα-helixtrans-44.2-44175.100000116.4E214 R216 W233 G242G212-E214 PolarHBondContact O-N 3.24Å; G212-R216 WeakPolarHBondContact O-CB 3.35Å; G212-R216 PolarHBondContact O-N 2.79Å; G212-W233 VanDerWaalsContact CA-CH2 3.4Å; G212-G242 PolarHBondContact N-O 2.91Å
213P83.2Confident82.6Confident93 Ų9368.9 Ų68.960%0.60439%0.388SS*.Hα-helixtrans-62-37176.6-2536000114.4S211 R216 D217S211-P213 VanDerWaalsContact C-CD 3.42Å; S211-P213 VanDerWaalsContact C-N 3.33Å; S211-P213 VanDerWaalsContact O-N 3.15Å; P213-R216 PolarHBondContact O-N 3.41Å; P213-D217 PolarHBondContact O-N 3.43Å; P213-D217 VanDerWaalsContact O-N 3.08Å
214E82.5Confident82.3Confident65 Ų6568 Ų6830%0.30438%0.383SS..Hα-helixtrans-75.6-44.8-174.6-67.1156.4158.400110.7L202 V210 S211 G212 R216 D217 I218L202-E214 HydrophobicContact CD2-CB 4.26Å; V210-E214 HydrophobicContact CG1-CB 3.61Å; S211-E214 WeakPolarHBondContact CA-OE2 3.22Å; S211-E214 WeakPolarHBondContact CB-OE2 3.4Å; S211-E214 PolarHBondContact N-OE2 2.99Å; S211-E214 WeakPolarHBondContact O-CB 3.45Å; S211-E214 PolarHBondContact O-N 3.06Å; S211-E214 PolarHBondContact OG-OE2 3.45Å; G212-E214 PolarHBondContact O-N 3.24Å; E214-R216 VanDerWaalsContact C-N 3.33Å; E214-D217 PolarHBondContact O-N 3.36Å; E214-I218 PolarHBondContact O-N 3.11Å
215V83.1Confident82.3Confident1 Ų162.7 Ų62.71%0.00636%0.361CS..Hα-helixtrans-61.7-42.7170.7-176.70000110.7V210 S211 D217 I218 L219 W233 L244 F249V210-V215 HydrophobicContact CB-CG2 4.07Å; V210-V215 HydrophobicContact CG1-CG2 3.52Å; S211-V215 PolarHBondContact O-N 2.95Å; V215-D217 VanDerWaalsContact C-N 3.31Å; V215-D217 PolarHBondContact O-N 2.86Å; V215-I218 PolarHBondContact O-N 3.31Å; V215-L219 HydrophobicContact CG1-CD1 3.71Å; V215-L219 HydrophobicContact CG1-CG 3.96Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 WeakPolarHBondContact O-CG 3.24Å; V215-L219 PolarHBondContact O-N 2.87Å; V215-W233 HydrophobicContact CB-CZ3 3.71Å; V215-W233 HydrophobicContact CG1-CE3 4.38Å; V215-W233 HydrophobicContact CG1-CZ3 3.89Å; V215-W233 HydrophobicContact CG2-CH2 4.35Å; V215-W233 HydrophobicContact CG2-CZ3 3.87Å; V215-L244 HydrophobicContact CG1-CD2 4.36Å; V215-L244 HydrophobicContact CG2-CD2 4.3Å; V215-F249 HydrophobicContact CB-CD2 4.43Å; V215-F249 HydrophobicContact CB-CE2 4.36Å; V215-F249 HydrophobicContact CG1-CD2 3.92Å; V215-F249 HydrophobicContact CG1-CE2 3.88Å; V215-F249 HydrophobicContact CG2-CD2 3.77Å; V215-F249 HydrophobicContact CG2-CE2 4.02Å
216R82.8Confident82.1Confident121 Ų12161.9 Ų61.946%0.45735%0.353SS..Hα-helixtrans-57.7-42.1178.3178.7177.9-178.5-121.53.3111.8G212 P213 E214 I218 L219 M220 Q226G212-R216 WeakPolarHBondContact O-CB 3.35Å; G212-R216 PolarHBondContact O-N 2.79Å; P213-R216 PolarHBondContact O-N 3.41Å; E214-R216 VanDerWaalsContact C-N 3.33Å; R216-I218 VanDerWaalsContact C-N 3.29Å; R216-I218 PolarHBondContact O-N 2.87Å; R216-L219 PolarHBondContact O-N 3.1Å; R216-M220 HydrophobicContact CG-CG 4.06Å; R216-M220 VanDerWaalsContact O-CB 3.28Å; R216-M220 WeakPolarHBondContact O-CB 3.5Å; R216-M220 WeakPolarHBondContact O-CG 3.09Å; R216-M220 PolarHBondContact O-N 2.86Å; R216-Q226 VanDerWaalsContact NH2-OE1 3.07Å
217D82.5Confident82.2Confident96 Ų9664.1 Ų64.151%0.51335%0.353SS..Hα-helixtrans-67.3-26.4-179.7-99.224.3000113.7P213 E214 V215 R221P213-D217 PolarHBondContact O-N 3.43Å; P213-D217 VanDerWaalsContact O-N 3.08Å; E214-D217 PolarHBondContact O-N 3.36Å; V215-D217 VanDerWaalsContact C-N 3.31Å; V215-D217 PolarHBondContact O-N 2.86Å; D217-R221 WeakPolarHBondContact O-CG 3.45Å; D217-R221 PolarHBondContact O-NE 2.97Å
218I83.9Confident82Confident36 Ų3662.3 Ų62.319%0.18534%0.343CS..Hα-helixtrans-83.1-43.3170.1-69.2-165.1000111.6V198 L202 E214 V215 R216 M220 R221 M253V198-I218 HydrophobicContact CG1-CD1 3.45Å; V198-I218 VanDerWaalsContact CG1-CD1 3.45Å; V198-I218 HydrophobicContact CG1-CG2 4.07Å; L202-I218 HydrophobicContact CD1-CD1 3.78Å; L202-I218 HydrophobicContact CD1-CG1 4.18Å; L202-I218 HydrophobicContact CD2-CD1 3.59Å; L202-I218 HydrophobicContact CD2-CG1 3.96Å; L202-I218 HydrophobicContact CG-CD1 3.67Å; L202-I218 HydrophobicContact CG-CG1 4.38Å; E214-I218 PolarHBondContact O-N 3.11Å; V215-I218 PolarHBondContact O-N 3.31Å; R216-I218 VanDerWaalsContact C-N 3.29Å; R216-I218 PolarHBondContact O-N 2.87Å; I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 PolarHBondContact O-N 3.48Å; I218-R221 WeakPolarHBondContact O-CB 3.39Å; I218-R221 PolarHBondContact O-N 3.36Å; I218-M253 HydrophobicContact CG2-CE 3.97Å
219L80.9Confident82Confident6 Ų661.3 Ų61.33%0.03133%0.33CS..Hα-helixtrans-63.6-33.1177.4-71.5-176.9000112.3V215 R216 R221 S222 L229 M253 A256V215-L219 HydrophobicContact CG1-CD1 3.71Å; V215-L219 HydrophobicContact CG1-CG 3.96Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 WeakPolarHBondContact O-CG 3.24Å; V215-L219 PolarHBondContact O-N 2.87Å; R216-L219 PolarHBondContact O-N 3.1Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.85Å; L219-S222 WeakPolarHBondContact O-CB 3.31Å; L219-S222 PolarHBondContact O-N 3.33Å; L219-S222 VanDerWaalsContact O-N 3.1Å; L219-S222 PolarHBondContact O-OG 2.96Å; L219-L229 HydrophobicContact CB-CD1 4.22Å; L219-L229 HydrophobicContact CB-CD2 3.88Å; L219-L229 HydrophobicContact CD1-CD2 4.47Å; L219-M253 HydrophobicContact CD2-CE 3.88Å; L219-M253 HydrophobicContact CD2-SD 4.26Å; L219-A256 HydrophobicContact CD2-CB 3.87Å
220M82.6Confident81.8Confident83 Ų8361 Ų6141%0.40934%0.336SS..G310 helixtrans-63.3-28.7172.1-77-67.4-58.900112.8R216 I218 S222 G223 L229R216-M220 HydrophobicContact CG-CG 4.06Å; R216-M220 VanDerWaalsContact O-CB 3.28Å; R216-M220 WeakPolarHBondContact O-CB 3.5Å; R216-M220 WeakPolarHBondContact O-CG 3.09Å; R216-M220 PolarHBondContact O-N 2.86Å; I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 PolarHBondContact O-N 3.48Å; M220-S222 PolarHBondContact O-N 3.42Å; M220-G223 PolarHBondContact O-N 2.94Å; M220-L229 HydrophobicContact CG-CD1 4.3Å; M220-L229 HydrophobicContact SD-CD1 3.82Å
221R81.9Confident81.7Confident193 Ų19363.9 Ų63.973%0.72835%0.349SS*.G310 helixtrans-71.7-11.9175.2-63.6167.8-167.2179.53.2113.1D217 I218 L219 G223D217-R221 WeakPolarHBondContact O-CG 3.45Å; D217-R221 PolarHBondContact O-NE 2.97Å; I218-R221 WeakPolarHBondContact O-CB 3.39Å; I218-R221 PolarHBondContact O-N 3.36Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.85Å; R221-G223 VanDerWaalsContact C-N 3.26Å; R221-G223 PolarHBondContact O-N 3.44Å
222S75.5Confident81.6Confident33 Ų3361.8 Ų61.823%0.23133%0.334CS..G310 helixtrans-67.1-27.1172.9740000112.8L219 M220 L224 L260L219-S222 WeakPolarHBondContact O-CB 3.31Å; L219-S222 PolarHBondContact O-N 3.33Å; L219-S222 VanDerWaalsContact O-N 3.1Å; L219-S222 PolarHBondContact O-OG 2.96Å; M220-S222 PolarHBondContact O-N 3.42Å; S222-L224 WeakPolarHBondContact OG-CB 3.35Å; S222-L224 WeakPolarHBondContact OG-CG 3.41Å; S222-L224 PolarHBondContact OG-N 2.92Å; S222-L224 VanDerWaalsContact OG-N 3.14Å; S222-L260 WeakPolarHBondContact O-CD2 3.47Å
223G78.5Confident81.6Confident66 Ų6663 Ų6368%0.6833%0.333SS*.THydrogen-bonded Turntrans85.14.3-171.500000114.9M220 R221M220-G223 PolarHBondContact O-N 2.94Å; R221-G223 VanDerWaalsContact C-N 3.26Å; R221-G223 PolarHBondContact O-N 3.44Å
224L79.5Confident81.6Confident12 Ų1264 Ų646%0.06333%0.333CS..  trans-68.7144.3172.6-70.6168.4000111.9S222 I228 L229 I232 A256 Q259 L260S222-L224 WeakPolarHBondContact OG-CB 3.35Å; S222-L224 WeakPolarHBondContact OG-CG 3.41Å; S222-L224 PolarHBondContact OG-N 2.92Å; S222-L224 VanDerWaalsContact OG-N 3.14Å; L224-I228 HydrophobicContact CD2-CG2 4.49Å; L224-L229 HydrophobicContact CB-CD1 4.42Å; L224-L229 HydrophobicContact CB-CD2 3.74Å; L224-L229 HydrophobicContact CB-CG 3.96Å; L224-L229 HydrophobicContact CD1-CD2 3.84Å; L224-L229 HydrophobicContact CG-CD2 4.44Å; L224-I232 HydrophobicContact CD1-CD1 4.32Å; L224-A256 HydrophobicContact CD1-CB 3.94Å; L224-Q259 HydrophobicContact CD1-CB 4.23Å; L224-Q259 HydrophobicContact CD2-CB 3.95Å; L224-L260 HydrophobicContact CD1-CG 4.43Å; L224-L260 HydrophobicContact CD2-CD2 3.91Å; L224-L260 HydrophobicContact CD2-CG 4.38Å; L224-L260 HydrophobicContact CG-CD2 3.87Å; L224-L260 HydrophobicContact CG-CG 4.22Å
225P80.6Confident81.5Confident57 Ų5761.6 Ų61.637%0.3732%0.322SS..  trans-56.9143.1171.4-24.533.3000113D227 I228 L229P225-D227 PolarHBondContact O-N 3.19Å; P225-D227 VanDerWaalsContact O-N 3.15Å; P225-I228 HydrophobicContact CB-CD1 4.49Å; P225-I228 HydrophobicContact CB-CG1 4.32Å; P225-I228 HydrophobicContact CG-CD1 4.1Å; P225-I228 HydrophobicContact CG-CG1 4.46Å; P225-I228 PolarHBondContact O-N 3.43Å; P225-L229 PolarHBondContact O-N 3.17Å; P225-L229 VanDerWaalsContact O-N 3.13Å
226Q82.1Confident81.5Confident107 Ų10761.6 Ų61.650%0.532%0.323SS..Hα-helixtrans-56-34.9-178.2179.7170.8-35.600113R216 I228 L229 A230R216-Q226 VanDerWaalsContact NH2-OE1 3.07Å; Q226-I228 VanDerWaalsContact C-N 3.35Å; Q226-I228 PolarHBondContact O-N 3.48Å; Q226-L229 PolarHBondContact O-N 2.94Å; Q226-A230 PolarHBondContact O-N 2.87Å
227D82.8Confident81.5Confident133 Ų13356.2 Ų56.271%0.71130%0.303SS*.Hα-helixtrans-66.9-36.8-179.5-45.6-39000112P225 H231P225-D227 PolarHBondContact O-N 3.19Å; P225-D227 VanDerWaalsContact O-N 3.15Å; D227-H231 PolarHBondContact O-N 2.86Å
228I81.9Confident81.2Confident53 Ų5355.4 Ų55.427%0.27230%0.297SS..Hα-helixtrans-70.6-37.7175.4-61.2-172000109.9L224 P225 Q226 H231 I232 Q259 L269L224-I228 HydrophobicContact CD2-CG2 4.49Å; P225-I228 HydrophobicContact CB-CD1 4.49Å; P225-I228 HydrophobicContact CB-CG1 4.32Å; P225-I228 HydrophobicContact CG-CD1 4.1Å; P225-I228 HydrophobicContact CG-CG1 4.46Å; P225-I228 PolarHBondContact O-N 3.43Å; Q226-I228 VanDerWaalsContact C-N 3.35Å; Q226-I228 PolarHBondContact O-N 3.48Å; I228-H231 PolarHBondContact O-N 2.95Å; I228-I232 HydrophobicContact CG2-CD1 4.17Å; I228-I232 WeakPolarHBondContact O-CG1 3.42Å; I228-I232 PolarHBondContact O-N 2.97Å; I228-Q259 HydrophobicContact CG2-CG 4.43Å; I228-L269 HydrophobicContact CG2-CD1 3.79Å
229L82.5Confident80.7Confident13 Ų1359.6 Ų59.67%0.06832%0.316CS..Hα-helixtrans-67.4-36.6176.5-65.7-179.9000112.8L219 M220 L224 P225 Q226 I232 W233L219-L229 HydrophobicContact CB-CD1 4.22Å; L219-L229 HydrophobicContact CB-CD2 3.88Å; L219-L229 HydrophobicContact CD1-CD2 4.47Å; M220-L229 HydrophobicContact CG-CD1 4.3Å; M220-L229 HydrophobicContact SD-CD1 3.82Å; L224-L229 HydrophobicContact CB-CD1 4.42Å; L224-L229 HydrophobicContact CB-CD2 3.74Å; L224-L229 HydrophobicContact CB-CG 3.96Å; L224-L229 HydrophobicContact CD1-CD2 3.84Å; L224-L229 HydrophobicContact CG-CD2 4.44Å; P225-L229 PolarHBondContact O-N 3.17Å; P225-L229 VanDerWaalsContact O-N 3.13Å; Q226-L229 PolarHBondContact O-N 2.94Å; L229-I232 HydrophobicContact CD2-CD1 4.49Å; L229-I232 PolarHBondContact O-N 3.26Å; L229-W233 PolarHBondContact O-N 2.98Å
230A81.9Confident80.5Confident49 Ų4965.8 Ų65.841%0.40535%0.35SS..Hα-helixtrans-64-45.9173.300000111.5Q226 I232 W233 D234Q226-A230 PolarHBondContact O-N 2.87Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.35Å; A230-W233 WeakPolarHBondContact O-CB 3.35Å; A230-W233 PolarHBondContact O-N 3.15Å; A230-D234 PolarHBondContact O-N 3.02Å
231H81.6Confident80.2Confident62 Ų6265.2 Ų65.229%0.28735%0.351SS..Hα-helixtrans-63.7-35.2176.3-169.1120.1000112.3D227 I228 W233 L235 L269 P270 N271D227-H231 PolarHBondContact O-N 2.86Å; I228-H231 PolarHBondContact O-N 2.95Å; H231-W233 VanDerWaalsContact C-N 3.33Å; H231-L235 WeakPolarHBondContact O-CG 3.4Å; H231-L235 PolarHBondContact O-N 3.04Å; H231-L269 HydrophobicContact CB-CD1 3.74Å; H231-P270 PolarHBondContact NE2-O 3.09Å; H231-N271 PolarHBondContact CE1-OD1 3.27Å
232I81.4Confident80.1Confident0 Ų057.8 Ų57.80%033%0.334CS..Hα-helixtrans-64.6-37172-70.4167.3000111.4L224 I228 L229 A230 V236 A252 L255 A256 Q259 L269L224-I232 HydrophobicContact CD1-CD1 4.32Å; I228-I232 HydrophobicContact CG2-CD1 4.17Å; I228-I232 WeakPolarHBondContact O-CG1 3.42Å; I228-I232 PolarHBondContact O-N 2.97Å; L229-I232 HydrophobicContact CD2-CD1 4.49Å; L229-I232 PolarHBondContact O-N 3.26Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.35Å; I232-V236 VanDerWaalsContact O-CG2 3.27Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-A252 HydrophobicContact CG2-CB 4.13Å; I232-L255 HydrophobicContact CD1-CB 4.45Å; I232-L255 HydrophobicContact CG1-CB 4.22Å; I232-L255 HydrophobicContact CG2-CB 4.06Å; I232-L255 HydrophobicContact CG2-CD1 4.42Å; I232-A256 HydrophobicContact CD1-CB 4.37Å; I232-Q259 HydrophobicContact CD1-CG 4.48Å; I232-L269 HydrophobicContact CD1-CD2 4.42Å; I232-L269 HydrophobicContact CG1-CD1 3.88Å; I232-L269 HydrophobicContact CG1-CD2 3.87Å
233W82.7Confident80.5Confident43 Ų4359.3 Ų59.316%0.16334%0.34CS..Hα-helixtrans-63.4-52.3175.4-174.9-86.7000111.7G212 V215 L229 A230 H231 L235 V236 D237 L244G212-W233 VanDerWaalsContact CA-CH2 3.4Å; V215-W233 HydrophobicContact CB-CZ3 3.71Å; V215-W233 HydrophobicContact CG1-CE3 4.38Å; V215-W233 HydrophobicContact CG1-CZ3 3.89Å; V215-W233 HydrophobicContact CG2-CH2 4.35Å; V215-W233 HydrophobicContact CG2-CZ3 3.87Å; L229-W233 PolarHBondContact O-N 2.98Å; A230-W233 WeakPolarHBondContact O-CB 3.35Å; A230-W233 PolarHBondContact O-N 3.15Å; H231-W233 VanDerWaalsContact C-N 3.33Å; W233-L235 PolarHBondContact O-N 3.44Å; W233-L235 VanDerWaalsContact O-N 3.17Å; W233-V236 PolarHBondContact O-N 3.46Å; W233-D237 PolarHBondContact NE1-OD2 3.05Å; W233-D237 PolarHBondContact O-N 2.68Å; W233-L244 HydrophobicContact CE3-CD2 4.38Å; W233-L244 HydrophobicContact CH2-CB 3.85Å; W233-L244 HydrophobicContact CH2-CD1 4.1Å; W233-L244 HydrophobicContact CH2-CD2 4.15Å; W233-L244 HydrophobicContact CH2-CG 4.27Å; W233-L244 HydrophobicContact CZ2-CD1 4.32Å; W233-L244 HydrophobicContact CZ3-CB 4.29Å; W233-L244 HydrophobicContact CZ3-CD1 4.35Å; W233-L244 HydrophobicContact CZ3-CD2 3.76Å; W233-L244 HydrophobicContact CZ3-CG 4.37Å
234D81.8Confident80.7Confident115 Ų11556.2 Ų56.262%0.61531%0.307SS*.Hα-helixtrans-62.8-24.1-176.7-66.2-18.2000113.3A230 V236A230-D234 PolarHBondContact O-N 3.02Å; D234-V236 VanDerWaalsContact C-N 3.34Å
235L81.7Confident81Confident14 Ų1457 Ų577%0.07331%0.312CS..THydrogen-bonded Turntrans-74.2-21.1173.4-80.5177.5000114.5H231 W233 L255 L269 P270H231-L235 WeakPolarHBondContact O-CG 3.4Å; H231-L235 PolarHBondContact O-N 3.04Å; W233-L235 PolarHBondContact O-N 3.44Å; W233-L235 VanDerWaalsContact O-N 3.17Å; L235-L255 HydrophobicContact CB-CD1 4.39Å; L235-L255 HydrophobicContact CD1-CD1 4.15Å; L235-L269 HydrophobicContact CD1-CD2 4.5Å; L235-P270 WeakPolarHBondContact CD1-O 3.44Å; L235-P270 WeakPolarHBondContact CD2-O 3.46Å
236V81.8Confident81.2Confident2 Ų255.4 Ų55.41%0.01230%0.302CS..THydrogen-bonded Turntrans-118.4-30-163.6179.50000111.8I232 W233 D234 I238 L244 Q248 V251 A252 L255 L273I232-V236 VanDerWaalsContact O-CG2 3.27Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; W233-V236 PolarHBondContact O-N 3.46Å; D234-V236 VanDerWaalsContact C-N 3.34Å; V236-I238 PolarHBondContact O-N 2.95Å; V236-L244 HydrophobicContact CG1-CD1 4.06Å; V236-L244 HydrophobicContact CG1-CD2 4.48Å; V236-Q248 HydrophobicContact CG1-CB 3.78Å; V236-Q248 HydrophobicContact CG1-CG 4.4Å; V236-Q248 WeakPolarHBondContact CG1-O 3.22Å; V236-Q248 PolarHBondContact O-NE2 2.87Å; V236-V251 HydrophobicContact CG1-CB 4.22Å; V236-V251 HydrophobicContact CG2-CB 4.38Å; V236-V251 HydrophobicContact CG2-CG1 3.87Å; V236-A252 HydrophobicContact CB-CB 4.43Å; V236-A252 HydrophobicContact CG1-CB 4.13Å; V236-A252 HydrophobicContact CG2-CB 4.25Å; V236-L255 HydrophobicContact CG2-CD1 3.78Å; V236-L273 HydrophobicContact CG2-CD1 4.46Å
237D83.8Confident81.2Confident8 Ų851.7 Ų51.74%0.04328%0.284CS..  trans-76.262167.5-169.56000111.5W233 Q239 N240 T241 G242 L244W233-D237 PolarHBondContact NE1-OD2 3.05Å; W233-D237 PolarHBondContact O-N 2.68Å; D237-Q239 PolarHBondContact O-N 3.34Å; D237-N240 PolarHBondContact O-N 2.68Å; D237-N240 WeakPolarHBondContact OD1-CA 3.48Å; D237-N240 PolarHBondContact OD1-N 3.04Å; D237-N240 VanDerWaalsContact OD1-N 3.1Å; D237-T241 PolarHBondContact OD1-N 2.99Å; D237-T241 PolarHBondContact OD1-OG1 2.93Å; D237-T241 VanDerWaalsContact OD1-OG1 3.13Å; D237-T241 PolarHBondContact OD2-N 3.32Å; D237-G242 WeakPolarHBondContact OD2-CA 2.78Å; D237-G242 PolarHBondContact OD2-N 3.2Å; D237-L244 HydrophobicContact CB-CD1 4.31Å
238I76.6Confident81.3Confident78 Ų7845.7 Ų45.740%0.425%0.252SS..THydrogen-bonded Turntrans-58.7-20.8-176.1-61.3165.8000112.7V236 L273 L282V236-I238 PolarHBondContact O-N 2.95Å; I238-L273 HydrophobicContact CD1-CD2 3.96Å; I238-L282 HydrophobicContact CB-CD1 4.49Å; I238-L282 HydrophobicContact CD1-CD1 4.07Å
239Q73.8Confident81.5Confident124 Ų12443.1 Ų43.158%0.57924%0.239SC*.THydrogen-bonded Turntrans-102.61.1177.8-61.2-165.442.600113.5D237 T241D237-Q239 PolarHBondContact O-N 3.34Å; Q239-T241 HydrophobicContact CB-CG2 3.89Å; Q239-T241 PolarHBondContact O-N 3.31Å
240N76.7Confident81.7Confident137 Ų13742.5 Ų42.573%0.73324%0.236SC*.  trans50.537.2-173-64.9106.8000113D237D237-N240 PolarHBondContact O-N 2.68Å; D237-N240 WeakPolarHBondContact OD1-CA 3.48Å; D237-N240 PolarHBondContact OD1-N 3.04Å; D237-N240 VanDerWaalsContact OD1-N 3.1Å
241T75.6Confident81.8Confident71 Ų7140.2 Ų40.244%0.43622%0.217SC..  trans-78.8-16.3-176.135.30000113.5D237 Q239 L243D237-T241 PolarHBondContact OD1-N 2.99Å; D237-T241 PolarHBondContact OD1-OG1 2.93Å; D237-T241 VanDerWaalsContact OD1-OG1 3.13Å; D237-T241 PolarHBondContact OD2-N 3.32Å; Q239-T241 HydrophobicContact CB-CG2 3.89Å; Q239-T241 PolarHBondContact O-N 3.31Å; T241-L243 PolarHBondContact O-N 3.36Å; T241-L243 PolarHBondContact OG1-O 3.04Å
242G79.5Confident82Confident37 Ų3737.3 Ų37.338%0.38120%0.203SC..SBendtrans67.4-1.3-173.300000114.4G212 D237G212-G242 PolarHBondContact N-O 2.91Å; D237-G242 WeakPolarHBondContact OD2-CA 2.78Å; D237-G242 PolarHBondContact OD2-N 3.2Å
243L84.9Confident82.2Confident65 Ų6538.7 Ų38.734%0.3421%0.21SC..EExtended strand (participates in β ladder)trans-126131.4-178.1-71.4159.8000106.5L209 T241L209-L243 HydrophobicContact CB-CB 4.35Å; L209-L243 HydrophobicContact CB-CD2 4.37Å; L209-L243 HydrophobicContact CD1-CB 4.24Å; L209-L243 HydrophobicContact CD1-CD1 4.21Å; T241-L243 PolarHBondContact O-N 3.36Å; T241-L243 PolarHBondContact OG1-O 3.04Å
244L82.5Confident82.1Confident0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-113.6123-171.3-146.567.5000109.5F199 L209 V210 V215 W233 V236 D237 Q248 F249 A252F199-L244 WeakPolarHBondContact CE2-O 3.35Å; L209-L244 CarbonylContact C-O 3.59Å; L209-L244 WeakPolarHBondContact CA-O 3.38Å; V210-L244 PolarHBondContact N-O 3.39Å; V210-L244 PolarHBondContact O-N 3.19Å; V215-L244 HydrophobicContact CG1-CD2 4.36Å; V215-L244 HydrophobicContact CG2-CD2 4.3Å; W233-L244 HydrophobicContact CE3-CD2 4.38Å; W233-L244 HydrophobicContact CH2-CB 3.85Å; W233-L244 HydrophobicContact CH2-CD1 4.1Å; W233-L244 HydrophobicContact CH2-CD2 4.15Å; W233-L244 HydrophobicContact CH2-CG 4.27Å; W233-L244 HydrophobicContact CZ2-CD1 4.32Å; W233-L244 HydrophobicContact CZ3-CB 4.29Å; W233-L244 HydrophobicContact CZ3-CD1 4.35Å; W233-L244 HydrophobicContact CZ3-CD2 3.76Å; W233-L244 HydrophobicContact CZ3-CG 4.37Å; V236-L244 HydrophobicContact CG1-CD1 4.06Å; V236-L244 HydrophobicContact CG1-CD2 4.48Å; D237-L244 HydrophobicContact CB-CD1 4.31Å; L244-Q248 HydrophobicContact CD1-CB 3.79Å; L244-Q248 HydrophobicContact CG-CB 3.68Å; L244-F249 HydrophobicContact CD2-CB 4.05Å; L244-F249 HydrophobicContact CD2-CD2 4.41Å; L244-F249 HydrophobicContact CG-CB 4.47Å; L244-A252 HydrophobicContact CD2-CB 4.2Å
245N84Confident82.1Confident30 Ų3033.1 Ų33.116%0.1618%0.182CC..EExtended strand (participates in β ladder)trans-76.1167.3174.478.334.2000111.8L209 E247 Q248 F249L209-N245 HydrophobicContact CD2-CB 4Å; N245-E247 VanDerWaalsContact C-N 3.28Å; N245-E247 PolarHBondContact O-N 3.32Å; N245-E247 PolarHBondContact OD1-N 3.49Å; N245-Q248 PolarHBondContact ND2-OE1 3.4Å; N245-Q248 WeakPolarHBondContact O-CB 3.19Å; N245-Q248 PolarHBondContact O-N 3.26Å; N245-Q248 WeakPolarHBondContact OD1-CG 3.4Å; N245-Q248 PolarHBondContact OD1-N 2.88Å; N245-F249 WeakPolarHBondContact O-CB 3.41Å; N245-F249 PolarHBondContact O-N 2.81Å
246S84.8Confident82.1Confident22 Ų2232.6 Ų32.615%0.15418%0.18CC..Hα-helixtrans-55.3-37.4-177.5178.20000114.5L196 T250L196-S246 VanDerWaalsContact CD1-OG 3.29Å; L196-S246 WeakPolarHBondContact CD1-OG 3.44Å; S246-T250 VanDerWaalsContact O-CB 3.32Å; S246-T250 WeakPolarHBondContact O-CB 3.3Å; S246-T250 PolarHBondContact O-N 2.96Å; S246-T250 PolarHBondContact O-OG1 3.03Å
247E83Confident82Confident30 Ų3035.2 Ų35.214%0.1420%0.196CC..Hα-helixtrans-75.4-41-178.7-54.2-171.7134.700110.9N245 T250 V251 P279 P280 S281N245-E247 VanDerWaalsContact C-N 3.28Å; N245-E247 PolarHBondContact O-N 3.32Å; N245-E247 PolarHBondContact OD1-N 3.49Å; E247-T250 WeakPolarHBondContact O-CB 3.24Å; E247-T250 PolarHBondContact O-N 3.03Å; E247-V251 WeakPolarHBondContact O-CG2 3.27Å; E247-V251 PolarHBondContact O-N 3.42Å; E247-V251 VanDerWaalsContact O-N 3.11Å; E247-P279 HydrophobicContact CB-CB 3.45Å; E247-P279 VanDerWaalsContact CB-CB 3.45Å; E247-P279 HydrophobicContact CG-CB 4.46Å; E247-P280 WeakPolarHBondContact OE1-CB 3.38Å; E247-P280 WeakPolarHBondContact OE1-CD 3.26Å; E247-P280 WeakPolarHBondContact OE1-CG 3.49Å; E247-S281 VanDerWaalsContact CD-OG 3.29Å; E247-S281 WeakPolarHBondContact OE2-CB 3.5Å; E247-S281 PolarHBondContact OE2-N 3.48Å; E247-S281 PolarHBondContact OE2-OG 3.46Å
248Q85.2Confident81.7Confident6 Ų637.8 Ų37.83%0.02821%0.208CC..Hα-helixtrans-60.2-51.5170.8-73.5174.8-68.400111V236 L244 N245 T250 V251 A252 P279V236-Q248 HydrophobicContact CG1-CB 3.78Å; V236-Q248 HydrophobicContact CG1-CG 4.4Å; V236-Q248 WeakPolarHBondContact CG1-O 3.22Å; V236-Q248 PolarHBondContact O-NE2 2.87Å; L244-Q248 HydrophobicContact CD1-CB 3.79Å; L244-Q248 HydrophobicContact CG-CB 3.68Å; N245-Q248 PolarHBondContact ND2-OE1 3.4Å; N245-Q248 WeakPolarHBondContact O-CB 3.19Å; N245-Q248 PolarHBondContact O-N 3.26Å; N245-Q248 WeakPolarHBondContact OD1-CG 3.4Å; N245-Q248 PolarHBondContact OD1-N 2.88Å; Q248-T250 PolarHBondContact O-N 3.42Å; Q248-V251 WeakPolarHBondContact O-CA 3.41Å; Q248-V251 WeakPolarHBondContact O-CB 3.33Å; Q248-V251 PolarHBondContact O-N 2.99Å; Q248-A252 PolarHBondContact O-N 3.37Å; Q248-P279 HydrophobicContact CG-CG 4.39Å
249F86.1Confident81.6Confident0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-54.6-38.6176.1177.5-90.5000112.2N195 V198 F199 L202 V215 L244 N245 V251 A252 M253N195-F249 WeakPolarHBondContact O-CE1 3.35Å; V198-F249 HydrophobicContact CB-CE1 4.06Å; V198-F249 HydrophobicContact CB-CZ 4.19Å; V198-F249 HydrophobicContact CG1-CE1 4.2Å; V198-F249 HydrophobicContact CG1-CZ 3.8Å; F199-F249 HydrophobicContact CB-CD1 3.91Å; F199-F249 HydrophobicContact CB-CE1 4.15Å; F199-F249 HydrophobicContact CB-CG 4.49Å; F199-F249 HydrophobicContact CD2-CB 3.59Å; F199-F249 AromaticContact CD2-CD1 3.9Å; F199-F249 HydrophobicContact CD2-CD1 3.9Å; F199-F249 HydrophobicContact CD2-CD2 4.2Å; F199-F249 AromaticContact CD2-CG 3.64Å; F199-F249 HydrophobicContact CD2-CG 3.64Å; F199-F249 HydrophobicContact CE2-CB 3.99Å; F199-F249 HydrophobicContact CE2-CG 4.42Å; F199-F249 HydrophobicContact CG-CD1 4.41Å; L202-F249 HydrophobicContact CD1-CE2 3.76Å; L202-F249 HydrophobicContact CD1-CZ 4.16Å; V215-F249 HydrophobicContact CB-CD2 4.43Å; V215-F249 HydrophobicContact CB-CE2 4.36Å; V215-F249 HydrophobicContact CG1-CD2 3.92Å; V215-F249 HydrophobicContact CG1-CE2 3.88Å; V215-F249 HydrophobicContact CG2-CD2 3.77Å; V215-F249 HydrophobicContact CG2-CE2 4.02Å; L244-F249 HydrophobicContact CD2-CB 4.05Å; L244-F249 HydrophobicContact CD2-CD2 4.41Å; L244-F249 HydrophobicContact CG-CB 4.47Å; N245-F249 WeakPolarHBondContact O-CB 3.41Å; N245-F249 PolarHBondContact O-N 2.81Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.3Å; F249-A252 PolarHBondContact O-N 3.31Å; F249-M253 HydrophobicContact CE1-CE 4.04Å; F249-M253 HydrophobicContact CE2-CE 4.19Å; F249-M253 HydrophobicContact CZ-CE 3.58Å; F249-M253 WeakPolarHBondContact O-CB 3.39Å; F249-M253 PolarHBondContact O-N 2.93Å
250T86.1Confident81.7Confident0 Ų032.8 Ų32.80%019%0.185CC..Hα-helixtrans-63.1-38175-66.10000112.4W185 I187 H192 N195 S246 E247 Q248 H254W185-T250 HydrophobicContact CH2-CG2 3.78Å; W185-T250 HydrophobicContact CZ2-CG2 4.01Å; I187-T250 HydrophobicContact CD1-CG2 3.92Å; I187-T250 HydrophobicContact CG2-CG2 3.88Å; H192-T250 HydrophobicContact CB-CG2 4.03Å; H192-T250 PolarHBondContact CD2-OG1 3.21Å; N195-T250 HydrophobicContact CB-CG2 4.08Å; N195-T250 WeakPolarHBondContact CB-OG1 3.48Å; N195-T250 PolarHBondContact ND2-O 3.34Å; S246-T250 VanDerWaalsContact O-CB 3.32Å; S246-T250 WeakPolarHBondContact O-CB 3.3Å; S246-T250 PolarHBondContact O-N 2.96Å; S246-T250 PolarHBondContact O-OG1 3.03Å; E247-T250 WeakPolarHBondContact O-CB 3.24Å; E247-T250 PolarHBondContact O-N 3.03Å; Q248-T250 PolarHBondContact O-N 3.42Å; T250-H254 WeakPolarHBondContact O-CB 3.31Å; T250-H254 PolarHBondContact O-N 3.2Å; T250-H254 VanDerWaalsContact O-N 3.08Å
251V84.2Confident81.5Confident1 Ų131.4 Ų31.41%0.00619%0.186CC..Hα-helixtrans-68.9-43.9172.6179.10000112I187 V236 E247 Q248 F249 M253 H254 L255 L273 L277I187-V251 HydrophobicContact CD1-CB 4.2Å; I187-V251 HydrophobicContact CD1-CG2 3.68Å; V236-V251 HydrophobicContact CG1-CB 4.22Å; V236-V251 HydrophobicContact CG2-CB 4.38Å; V236-V251 HydrophobicContact CG2-CG1 3.87Å; E247-V251 WeakPolarHBondContact O-CG2 3.27Å; E247-V251 PolarHBondContact O-N 3.42Å; E247-V251 VanDerWaalsContact O-N 3.11Å; Q248-V251 WeakPolarHBondContact O-CA 3.41Å; Q248-V251 WeakPolarHBondContact O-CB 3.33Å; Q248-V251 PolarHBondContact O-N 2.99Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.3Å; V251-M253 VanDerWaalsContact C-N 3.29Å; V251-M253 PolarHBondContact O-N 2.9Å; V251-H254 PolarHBondContact O-N 2.95Å; V251-L255 HydrophobicContact CG1-CD1 4.18Å; V251-L255 HydrophobicContact CG1-CG 4.46Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.29Å; V251-L273 HydrophobicContact CG1-CD1 3.69Å; V251-L273 HydrophobicContact CG1-CD2 4.18Å; V251-L277 HydrophobicContact CG1-CB 4.22Å; V251-L277 VanDerWaalsContact CG2-O 3.23Å; V251-L277 WeakPolarHBondContact CG2-O 3.17Å
252A85.5Confident80.9Confident1 Ų129.3 Ų29.31%0.00818%0.176CC..Hα-helixtrans-59.3-41.6176.400000111.8I232 V236 L244 Q248 F249 L255 A256I232-A252 HydrophobicContact CG2-CB 4.13Å; V236-A252 HydrophobicContact CB-CB 4.43Å; V236-A252 HydrophobicContact CG1-CB 4.13Å; V236-A252 HydrophobicContact CG2-CB 4.25Å; L244-A252 HydrophobicContact CD2-CB 4.2Å; Q248-A252 PolarHBondContact O-N 3.37Å; F249-A252 PolarHBondContact O-N 3.31Å; A252-L255 PolarHBondContact O-N 2.94Å; A252-A256 WeakPolarHBondContact O-CB 3.31Å; A252-A256 PolarHBondContact O-N 3.15Å
253M85Confident79.8Confident28 Ų2829.5 Ų29.514%0.13818%0.178CC..Hα-helixtrans-67.3-39.5177-164.360.856.500112.2N195 I218 L219 F249 V251 A256 T257N195-M253 HydrophobicContact CB-CB 4.44Å; N195-M253 WeakPolarHBondContact OD1-CG 3.49Å; I218-M253 HydrophobicContact CG2-CE 3.97Å; L219-M253 HydrophobicContact CD2-CE 3.88Å; L219-M253 HydrophobicContact CD2-SD 4.26Å; F249-M253 HydrophobicContact CE1-CE 4.04Å; F249-M253 HydrophobicContact CE2-CE 4.19Å; F249-M253 HydrophobicContact CZ-CE 3.58Å; F249-M253 WeakPolarHBondContact O-CB 3.39Å; F249-M253 PolarHBondContact O-N 2.93Å; V251-M253 VanDerWaalsContact C-N 3.29Å; V251-M253 PolarHBondContact O-N 2.9Å; M253-A256 PolarHBondContact O-N 3.4Å; M253-T257 WeakPolarHBondContact O-CG2 3.41Å; M253-T257 PolarHBondContact O-N 3.38Å; M253-T257 PolarHBondContact O-OG1 2.91Å
254H82.2Confident78.4Confident39 Ų3934 Ų3418%0.18120%0.201CC..Hα-helixtrans-64.1-41.2175.2-17677.1000112.6I187 E191 T250 V251 A256 T257 E258I187-H254 HydrophobicContact CD1-CB 3.86Å; I187-H254 HydrophobicContact CG1-CB 4.28Å; E191-H254 IonicContact OE1-CG 2.63Å; E191-H254 IonicContact OE1-ND1 3.63Å; E191-H254 PolarHBondContact OE1-ND1 3.32Å; E191-H254 IonicContact OE2-CE1 3.56Å; E191-H254 PolarHBondContact OE2-CE1 3.18Å; E191-H254 IonicContact OE2-ND1 2.63Å; E191-H254 PolarHBondContact OE2-ND1 2.82Å; T250-H254 WeakPolarHBondContact O-CB 3.31Å; T250-H254 PolarHBondContact O-N 3.2Å; T250-H254 VanDerWaalsContact O-N 3.08Å; V251-H254 PolarHBondContact O-N 2.95Å; H254-A256 VanDerWaalsContact C-N 3.31Å; H254-A256 PolarHBondContact O-N 3.27Å; H254-T257 WeakPolarHBondContact CA-OG1 3.38Å; H254-T257 PolarHBondContact O-N 3.37Å; H254-T257 PolarHBondContact O-OG1 3.41Å; H254-E258 WeakPolarHBondContact O-CB 3.4Å; H254-E258 PolarHBondContact O-N 3.48Å
255L81.2Confident76.7Confident3 Ų338 Ų382%0.01623%0.229CC..Hα-helixtrans-65.7-34.5174.2-68.2172.9000112.1I232 L235 V236 V251 A252 Q259 L273 L277I232-L255 HydrophobicContact CD1-CB 4.45Å; I232-L255 HydrophobicContact CG1-CB 4.22Å; I232-L255 HydrophobicContact CG2-CB 4.06Å; I232-L255 HydrophobicContact CG2-CD1 4.42Å; L235-L255 HydrophobicContact CB-CD1 4.39Å; L235-L255 HydrophobicContact CD1-CD1 4.15Å; V236-L255 HydrophobicContact CG2-CD1 3.78Å; V251-L255 HydrophobicContact CG1-CD1 4.18Å; V251-L255 HydrophobicContact CG1-CG 4.46Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.29Å; A252-L255 PolarHBondContact O-N 2.94Å; L255-Q259 WeakPolarHBondContact O-CB 3.19Å; L255-Q259 WeakPolarHBondContact O-CG 3.48Å; L255-Q259 PolarHBondContact O-N 2.89Å; L255-L273 HydrophobicContact CD1-CD1 3.97Å; L255-L277 HydrophobicContact CD2-CD1 4.13Å
256A82.4Confident75Confident3 Ų344.9 Ų44.93%0.02527%0.266CS..Hα-helixtrans-70.7-41.7175.100000112.6L219 L224 I232 A252 M253 H254 Q259 L260L219-A256 HydrophobicContact CD2-CB 3.87Å; L224-A256 HydrophobicContact CD1-CB 3.94Å; I232-A256 HydrophobicContact CD1-CB 4.37Å; A252-A256 WeakPolarHBondContact O-CB 3.31Å; A252-A256 PolarHBondContact O-N 3.15Å; M253-A256 PolarHBondContact O-N 3.4Å; H254-A256 VanDerWaalsContact C-N 3.31Å; H254-A256 PolarHBondContact O-N 3.27Å; A256-Q259 PolarHBondContact O-N 3.39Å; A256-L260 PolarHBondContact O-N 3.21Å
257T79.7Confident73.5Confident56 Ų5650.2 Ų50.234%0.34428%0.283SS..Hα-helixtrans-67.4-35.3175.255.20000111.9M253 H254 S261M253-T257 WeakPolarHBondContact O-CG2 3.41Å; M253-T257 PolarHBondContact O-N 3.38Å; M253-T257 PolarHBondContact O-OG1 2.91Å; H254-T257 WeakPolarHBondContact CA-OG1 3.38Å; H254-T257 PolarHBondContact O-N 3.37Å; H254-T257 PolarHBondContact O-OG1 3.41Å; T257-S261 WeakPolarHBondContact O-CB 3.3Å; T257-S261 PolarHBondContact O-N 2.89Å; T257-S261 PolarHBondContact O-OG 3.04Å
258E77Confident72.1Confident62 Ų6255.2 Ų55.229%0.2932%0.315SS..Hα-helixtrans-63.7-46.7172.1-164-172-17400111.4H254 L260 S261 A262 R267H254-E258 WeakPolarHBondContact O-CB 3.4Å; H254-E258 PolarHBondContact O-N 3.48Å; E258-L260 PolarHBondContact O-N 2.85Å; E258-S261 CarbonylContact O-C 3.57Å; E258-S261 WeakPolarHBondContact O-CB 3.31Å; E258-S261 PolarHBondContact O-N 3.37Å; E258-S261 VanDerWaalsContact O-N 3.13Å; E258-A262 WeakPolarHBondContact O-CB 3.41Å; E258-A262 PolarHBondContact O-N 3.06Å; E258-R267 IonicContact OE1-CZ 3.4Å; E258-R267 IonicContact OE1-NE 3.61Å; E258-R267 IonicContact OE1-NH1 3.18Å; E258-R267 PolarHBondContact OE1-NH1 2.91Å; E258-R267 IonicContact OE1-NH2 3.07Å; E258-R267 IonicContact OE2-NH1 2.65Å
259Q75.2Confident70.7Confident18 Ų1856 Ų568%0.08432%0.32CS..Hα-helixtrans-66.2-35.1179.6-77.8-64.4-19.700113.7L224 I228 I232 L255 A256 A262 R267 L269L224-Q259 HydrophobicContact CD1-CB 4.23Å; L224-Q259 HydrophobicContact CD2-CB 3.95Å; I228-Q259 HydrophobicContact CG2-CG 4.43Å; I232-Q259 HydrophobicContact CD1-CG 4.48Å; L255-Q259 WeakPolarHBondContact O-CB 3.19Å; L255-Q259 WeakPolarHBondContact O-CG 3.48Å; L255-Q259 PolarHBondContact O-N 2.89Å; A256-Q259 PolarHBondContact O-N 3.39Å; Q259-A262 PolarHBondContact O-N 2.91Å; Q259-R267 PolarHBondContact NE2-O 3.32Å; Q259-R267 PolarHBondContact OE1-O 2.78Å; Q259-L269 HydrophobicContact CG-CD2 3.8Å; Q259-L269 HydrophobicContact CG-CG 4.32Å
260L75.9Confident69.4Low80 Ų8058 Ų5842%0.41933%0.333SS..Hα-helixtrans-64-43.2169.1-74.1-177.2000111.9S222 L224 A256 E258 A262 G263S222-L260 WeakPolarHBondContact O-CD2 3.47Å; L224-L260 HydrophobicContact CD1-CG 4.43Å; L224-L260 HydrophobicContact CD2-CD2 3.91Å; L224-L260 HydrophobicContact CD2-CG 4.38Å; L224-L260 HydrophobicContact CG-CD2 3.87Å; L224-L260 HydrophobicContact CG-CG 4.22Å; A256-L260 PolarHBondContact O-N 3.21Å; E258-L260 PolarHBondContact O-N 2.85Å; L260-A262 PolarHBondContact O-N 3.28Å; L260-G263 PolarHBondContact O-N 3.45Å
261S71.8Confident68.1Low107 Ų10764.5 Ų64.575%0.74837%0.368SS*.Hα-helixtrans-66.4-26.4178.9-56.70000112.8T257 E258 G263T257-S261 WeakPolarHBondContact O-CB 3.3Å; T257-S261 PolarHBondContact O-N 2.89Å; T257-S261 PolarHBondContact O-OG 3.04Å; E258-S261 CarbonylContact O-C 3.57Å; E258-S261 WeakPolarHBondContact O-CB 3.31Å; E258-S261 PolarHBondContact O-N 3.37Å; E258-S261 VanDerWaalsContact O-N 3.13Å; S261-G263 VanDerWaalsContact C-N 3.34Å
262A62.4Low67Low28 Ų2870 Ų7023%0.23140%0.401CS..THydrogen-bonded Turntrans-80.8-4.517700000114.6E258 Q259 L260 L264 R267E258-A262 WeakPolarHBondContact O-CB 3.41Å; E258-A262 PolarHBondContact O-N 3.06Å; Q259-A262 PolarHBondContact O-N 2.91Å; L260-A262 PolarHBondContact O-N 3.28Å; A262-L264 PolarHBondContact O-N 3.12Å; A262-R267 HydrophobicContact CB-CB 4.01Å
263G55.8Low65.9Low41 Ų4171.1 Ų71.142%0.42341%0.407SS..THydrogen-bonded Turntrans61.948.516300000116.1L260 S261 S265L260-G263 PolarHBondContact O-N 3.45Å; S261-G263 VanDerWaalsContact C-N 3.34Å; G263-S265 PolarHBondContact O-N 3.34Å; G263-S265 PolarHBondContact O-OG 2.86Å
264L55.3Low64.8Low158 Ų15872.3 Ų72.383%0.82742%0.416SS*.THydrogen-bonded Turntrans56.45174.9-82.582.2000116.5A262A262-L264 PolarHBondContact O-N 3.12Å
265S47.6Very low63.7Low85 Ų8574.6 Ų74.659%0.59444%0.435SS*.SBendtrans-145.3129.1-171.451.10000112.8G263G263-S265 PolarHBondContact O-N 3.34Å; G263-S265 PolarHBondContact O-OG 2.86Å
266N48.7Very low62.8Low175 Ų17576 Ų7694%0.93645%0.446SS*.SBendtrans66.228.4174.7-71.7-12.9000119.1
267R52.4Low61.8Low134 Ų13476.4 Ų76.451%0.50645%0.448SS..  trans-137.386.4157.6-140.4174.7-158.6-10412.1113.5E258 Q259 A262 L269E258-R267 IonicContact OE1-CZ 3.4Å; E258-R267 IonicContact OE1-NE 3.61Å; E258-R267 IonicContact OE1-NH1 3.18Å; E258-R267 PolarHBondContact OE1-NH1 2.91Å; E258-R267 IonicContact OE1-NH2 3.07Å; E258-R267 IonicContact OE2-NH1 2.65Å; Q259-R267 PolarHBondContact NE2-O 3.32Å; Q259-R267 PolarHBondContact OE1-O 2.78Å; A262-R267 HydrophobicContact CB-CB 4.01Å; R267-L269 PolarHBondContact O-N 2.89Å
268T53.4Low61Low134 Ų13476 Ų7682%0.82244%0.444SS*.PPolyproline II helixtrans-55.5132.9168.148.40000110.2
269L57.5Low60.3Low23 Ų2373.1 Ų73.112%0.1243%0.431CS..PPolyproline II helixtrans-54.4142.9173.4-78.9166.1000110.7I228 H231 I232 L235 Q259 R267I228-L269 HydrophobicContact CG2-CD1 3.79Å; H231-L269 HydrophobicContact CB-CD1 3.74Å; I232-L269 HydrophobicContact CD1-CD2 4.42Å; I232-L269 HydrophobicContact CG1-CD1 3.88Å; I232-L269 HydrophobicContact CG1-CD2 3.87Å; L235-L269 HydrophobicContact CD1-CD2 4.5Å; Q259-L269 HydrophobicContact CG-CD2 3.8Å; Q259-L269 HydrophobicContact CG-CG 4.32Å; R267-L269 PolarHBondContact O-N 2.89Å
270P57.8Low59.8Low41 Ų4174.8 Ų74.827%0.26644%0.443SS..PPolyproline II helixtrans-56.9147.4167.4-22.634.1000110.7H231 L235 V272H231-P270 PolarHBondContact NE2-O 3.09Å; L235-P270 WeakPolarHBondContact CD1-O 3.44Å; L235-P270 WeakPolarHBondContact CD2-O 3.46Å; P270-V272 VanDerWaalsContact C-N 3.32Å; P270-V272 WeakPolarHBondContact CB-O 3.29Å
271N58.8Low59.1Low138 Ų13875 Ų7574%0.73845%0.451SS*.SBendtrans-87.8-3.3172.7-71-3.4000113.1H231H231-N271 PolarHBondContact CE1-OD1 3.27Å
272V61.2Low58.5Low117 Ų11772.4 Ų72.471%0.70943%0.428SS*.SBendtrans-146.1137.6178.8-177.90000107.4P270 P274P270-V272 VanDerWaalsContact C-N 3.32Å; P270-V272 WeakPolarHBondContact CB-O 3.29Å; V272-P274 WeakPolarHBondContact O-CD 3.36Å
273L62.5Low58.6Low23 Ų2373.8 Ų73.812%0.1243%0.428CS..  trans-65.7126.4178.4-165.276.1000110.8V236 I238 V251 L255 L277V236-L273 HydrophobicContact CG2-CD1 4.46Å; I238-L273 HydrophobicContact CD1-CD2 3.96Å; V251-L273 HydrophobicContact CG1-CD1 3.69Å; V251-L273 HydrophobicContact CG1-CD2 4.18Å; L255-L273 HydrophobicContact CD1-CD1 3.97Å; L273-L277 HydrophobicContact CD1-CB 4.2Å; L273-L277 HydrophobicContact CD1-CD1 4.3Å; L273-L277 HydrophobicContact CD2-CB 4.25Å; L273-L277 HydrophobicContact CG-CB 4.09Å
274P62.1Low58.7Low53 Ų5376.8 Ų76.834%0.34444%0.44SS..  trans-58.4138176-26.234.4000112.5V272 A276 L277V272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-A276 PolarHBondContact O-N 2.8Å; P274-L277 HydrophobicContact CG-CD1 4.35Å; P274-L277 PolarHBondContact O-N 2.94Å
275P59.3Low58.8Low88 Ų8876.8 Ų76.857%0.57144%0.439SS*.THydrogen-bonded Turntrans-57.6-20.6-177.9-28.935.9000116L278P275-L278 WeakPolarHBondContact O-CB 3.46Å; P275-L278 PolarHBondContact O-N 3.34Å
276A61.2Low59.1Low31 Ų3177.8 Ų77.826%0.25644%0.443SS..THydrogen-bonded Turntrans-78.6-18.6175.500000113.9P183 W185 A186 P274P183-A276 HydrophobicContact CB-CB 4.43Å; P183-A276 HydrophobicContact CG-CB 4.07Å; W185-A276 WeakPolarHBondContact CA-O 3.4Å; A186-A276 HydrophobicContact CB-CB 4.03Å; A186-A276 PolarHBondContact N-O 3.24Å; P274-A276 PolarHBondContact O-N 2.8Å
277L62.1Low59.3Low13 Ų1373.8 Ų73.87%0.06843%0.427CS..THydrogen-bonded Turntrans-89.6-5.5171.8-72.4173000112.5W185 A186 I187 V251 L255 L273 P274W185-L277 PolarHBondContact NE1-O 3.4Å; A186-L277 HydrophobicContact CB-CD2 4Å; A186-L277 HydrophobicContact CB-CG 4.43Å; I187-L277 HydrophobicContact CD1-CD2 3.95Å; I187-L277 HydrophobicContact CG1-CD2 3.58Å; V251-L277 HydrophobicContact CG1-CB 4.22Å; V251-L277 VanDerWaalsContact CG2-O 3.23Å; V251-L277 WeakPolarHBondContact CG2-O 3.17Å; L255-L277 HydrophobicContact CD2-CD1 4.13Å; L273-L277 HydrophobicContact CD1-CB 4.2Å; L273-L277 HydrophobicContact CD1-CD1 4.3Å; L273-L277 HydrophobicContact CD2-CB 4.25Å; L273-L277 HydrophobicContact CG-CB 4.09Å; P274-L277 HydrophobicContact CG-CD1 4.35Å; P274-L277 PolarHBondContact O-N 2.94Å
278L62.3Low59Low48 Ų4872.4 Ų72.425%0.25143%0.43SS..SBendtrans-66.8121.4-177.1-160147.4000110.4P275 L282 R283P275-L278 WeakPolarHBondContact O-CB 3.46Å; P275-L278 PolarHBondContact O-N 3.34Å; L278-L282 HydrophobicContact CD2-CB 3.79Å; L278-R283 PolarHBondContact O-NH2 2.99Å
279P62.7Low59Low1 Ų171 Ų711%0.00642%0.423CS..  trans-67.4145.6-166.825.2-34.7000112.5E247 Q248 S281 L282E247-P279 HydrophobicContact CB-CB 3.45Å; E247-P279 VanDerWaalsContact CB-CB 3.45Å; E247-P279 HydrophobicContact CG-CB 4.46Å; Q248-P279 HydrophobicContact CG-CG 4.39Å; P279-S281 VanDerWaalsContact C-N 3.27Å; P279-S281 PolarHBondContact O-N 3.46Å; P279-S281 VanDerWaalsContact O-N 3.17Å; P279-L282 HydrophobicContact CG-CB 4.42Å; P279-L282 HydrophobicContact CG-CD1 3.79Å; P279-L282 HydrophobicContact CG-CG 4Å; P279-L282 PolarHBondContact O-N 2.94Å
280P65Low58.9Low53 Ų5374.1 Ų74.134%0.34445%0.446SS..G310 helixtrans-47.9-41.3-178.2-29.733.3000115.4E247 L282 R283E247-P280 WeakPolarHBondContact OE1-CB 3.38Å; E247-P280 WeakPolarHBondContact OE1-CD 3.26Å; E247-P280 WeakPolarHBondContact OE1-CG 3.49Å; P280-L282 PolarHBondContact O-N 3.02Å; P280-L282 VanDerWaalsContact O-N 3.12Å; P280-R283 WeakPolarHBondContact O-CB 3.36Å; P280-R283 WeakPolarHBondContact O-CG 3.49Å; P280-R283 PolarHBondContact O-N 3.18Å
281S61.1Low58.6Low85 Ų8576.8 Ų76.859%0.59446%0.457SS*.G310 helixtrans-65.5-13.5-178.5-53.40000114.5E247 P279E247-S281 VanDerWaalsContact CD-OG 3.29Å; E247-S281 WeakPolarHBondContact OE2-CB 3.5Å; E247-S281 PolarHBondContact OE2-N 3.48Å; E247-S281 PolarHBondContact OE2-OG 3.46Å; P279-S281 VanDerWaalsContact C-N 3.27Å; P279-S281 PolarHBondContact O-N 3.46Å; P279-S281 VanDerWaalsContact O-N 3.17Å
282L59.5Low58.2Low51 Ų5176.2 Ų76.227%0.26745%0.446SS..G310 helixtrans-103.88.9176.3-56.9-176.3000112.9I238 L278 P279 P280I238-L282 HydrophobicContact CB-CD1 4.49Å; I238-L282 HydrophobicContact CD1-CD1 4.07Å; L278-L282 HydrophobicContact CD2-CB 3.79Å; P279-L282 HydrophobicContact CG-CB 4.42Å; P279-L282 HydrophobicContact CG-CD1 3.79Å; P279-L282 HydrophobicContact CG-CG 4Å; P279-L282 PolarHBondContact O-N 2.94Å; P280-L282 PolarHBondContact O-N 3.02Å; P280-L282 VanDerWaalsContact O-N 3.12Å
283R64.9Low58.1Low57 Ų5777.7 Ų77.722%0.21545%0.445CS..SBendtrans-86123.2174.6-60.5-179.9-176-137.4-7.3110P183 L278 P280 I285P183-R283 PolarHBondContact O-NH1 3.49Å; P183-R283 PolarHBondContact O-NH2 3.49Å; L278-R283 PolarHBondContact O-NH2 2.99Å; P280-R283 WeakPolarHBondContact O-CB 3.36Å; P280-R283 WeakPolarHBondContact O-CG 3.49Å; P280-R283 PolarHBondContact O-N 3.18Å; R283-I285 PolarHBondContact O-N 3.36Å
284P56.5Low58.2Low104 Ų10482.9 Ų82.968%0.67547%0.469SS*.PPolyproline II helixtrans-61.5124177.4-24.334.8000112.2
285I57.1Low58.5Low158 Ų15882.7 Ų82.781%0.8147%0.468SS*.PPolyproline II helixtrans-83.2126.8-178.4-56.6174.8000109.7R283R283-I285 PolarHBondContact O-N 3.36Å
286P55.8Low59.1Low106 Ų10682.6 Ų82.669%0.68846%0.463SS*.PPolyproline II helixtrans-68.3146.3174.1-19.332.8000112.6D288P286-D288 PolarHBondContact O-N 3Å
287P52.1Low60Low92 Ų9287.2 Ų87.260%0.59748%0.478SS*.PPolyproline II helixtrans-78.2118.6-179.931.8-34.6000111.8Y292P287-Y292 HydrophobicContact CB-CE2 3.99Å; P287-Y292 WeakPolarHBondContact CB-OH 3.43Å
288D45.1Very low60.9Low105 Ų10591.1 Ų91.156%0.56150%0.498SS*.PPolyproline II helixtrans-82.9130.3-176-145.73.8000110.8P286 S290 I291P286-D288 PolarHBondContact O-N 3Å; D288-S290 PolarHBondContact O-N 3.24Å; D288-I291 HydrophobicContact CB-CD1 3.97Å; D288-I291 HydrophobicContact CB-CG1 4.27Å; D288-I291 WeakPolarHBondContact O-CB 3.35Å; D288-I291 PolarHBondContact O-N 3.11Å
289P54.4Low61.8Low103 Ų10392.7 Ų92.767%0.66951%0.506SS*.Hα-helixtrans-59-22.5-172.318.3-32.3000115.4I291 Y292P289-I291 VanDerWaalsContact C-N 3.27Å; P289-I291 PolarHBondContact O-N 3.44Å; P289-Y292 PolarHBondContact O-N 2.85Å
290S54.4Low62.9Low89 Ų8997.1 Ų97.162%0.62253%0.533SS*.Hα-helixtrans-66.8-27.9174.7-164.90000113.2D288 Y292D288-S290 PolarHBondContact O-N 3.24Å; S290-Y292 VanDerWaalsContact C-N 3.26Å; S290-Y292 PolarHBondContact O-N 3.33Å
291I51.6Low63.9Low97 Ų9798.7 Ų98.750%0.49754%0.536SS..Hα-helixtrans-71.6-24.6-178.4-59.8172.9000110.5D288 P289 S295D288-I291 HydrophobicContact CB-CD1 3.97Å; D288-I291 HydrophobicContact CB-CG1 4.27Å; D288-I291 WeakPolarHBondContact O-CB 3.35Å; D288-I291 PolarHBondContact O-N 3.11Å; P289-I291 VanDerWaalsContact C-N 3.27Å; P289-I291 PolarHBondContact O-N 3.44Å; I291-S295 WeakPolarHBondContact O-CA 3.45Å; I291-S295 WeakPolarHBondContact O-CB 3.3Å; I291-S295 PolarHBondContact O-N 2.92Å
292Y50.7Low65Low126 Ų126100 Ų10049%0.49454%0.535SS..Hα-helixtrans-70.3-33.4-178.7-73-92.1000113.3P287 P289 S290 N296P287-Y292 HydrophobicContact CB-CE2 3.99Å; P287-Y292 WeakPolarHBondContact CB-OH 3.43Å; P289-Y292 PolarHBondContact O-N 2.85Å; S290-Y292 VanDerWaalsContact C-N 3.26Å; S290-Y292 PolarHBondContact O-N 3.33Å; Y292-N296 WeakPolarHBondContact O-CB 3.48Å; Y292-N296 PolarHBondContact O-N 2.98Å; Y292-N296 PolarHBondContact O-ND2 3.24Å; Y292-N296 VanDerWaalsContact O-ND2 3.08Å
293E60.7Low66.5Low149 Ų149102.5 Ų102.570%0.69655%0.545SS*.Hα-helixtrans-69.1-45.8176.9-162.167.8-164.600110.5N296 K297E293-N296 PolarHBondContact O-N 3.45Å; E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 PolarHBondContact O-N 3.15Å
294E64.2Low67.6Low132 Ų132101.8 Ų101.862%0.61755%0.551SS**Hα-helixtrans-67.3-39.4175.3-64.4-166.4147.500112.2K297 L298E294-K297 PolarHBondContact O-N 3.47Å; E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 VanDerWaalsContact O-CG 3.24Å; E294-L298 WeakPolarHBondContact O-CG 3.07Å; E294-L298 PolarHBondContact O-N 3.34Å
295S67Low69.3Low48 Ų48101.4 Ų101.434%0.33654%0.543SS..Hα-helixtrans-68.2-38.6176.5-172.80000111.9I291 L298 I299I291-S295 WeakPolarHBondContact O-CA 3.45Å; I291-S295 WeakPolarHBondContact O-CB 3.3Å; I291-S295 PolarHBondContact O-N 2.92Å; S295-L298 PolarHBondContact O-N 2.94Å; S295-I299 WeakPolarHBondContact O-CB 3.19Å; S295-I299 WeakPolarHBondContact O-CD1 3.41Å; S295-I299 WeakPolarHBondContact O-CG1 3.22Å; S295-I299 PolarHBondContact O-N 2.87Å
296N72.5Confident70.9Confident87 Ų8797.4 Ų97.447%0.46553%0.529SS..Hα-helixtrans-65.8-42.3173.6-74.4-25.6000110.8Y292 E293 I299 V300Y292-N296 WeakPolarHBondContact O-CB 3.48Å; Y292-N296 PolarHBondContact O-N 2.98Å; Y292-N296 PolarHBondContact O-ND2 3.24Å; Y292-N296 VanDerWaalsContact O-ND2 3.08Å; E293-N296 PolarHBondContact O-N 3.45Å; N296-I299 PolarHBondContact O-N 3.24Å; N296-V300 WeakPolarHBondContact O-CG2 3.2Å; N296-V300 PolarHBondContact O-N 3.43Å
297K80.6Confident72.6Confident128 Ų12899 Ų9956%0.55752%0.521SS*.Hα-helixtrans-59.2-47.1171.9-179.6-176.7172-66.90111.2E293 E294 I299 V300 E301E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 PolarHBondContact O-N 3.15Å; E294-K297 PolarHBondContact O-N 3.47Å; K297-I299 VanDerWaalsContact C-N 3.34Å; K297-I299 PolarHBondContact O-N 3.24Å; K297-V300 PolarHBondContact O-N 3.43Å; K297-E301 IonicContact NZ-OE2 2.61Å; K297-E301 PolarHBondContact NZ-OE2 2.85Å; K297-E301 VanDerWaalsContact O-CB 3.29Å; K297-E301 WeakPolarHBondContact O-CB 3.07Å; K297-E301 PolarHBondContact O-N 2.97Å
298L80Confident74.5Confident95 Ų95100.3 Ų100.350%0.49752%0.519SS..Hα-helixtrans-63.2-36.7177.4-75.8167.7000112.2E294 S295 E301 I302E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 VanDerWaalsContact O-CG 3.24Å; E294-L298 WeakPolarHBondContact O-CG 3.07Å; E294-L298 PolarHBondContact O-N 3.34Å; S295-L298 PolarHBondContact O-N 2.94Å; L298-E301 PolarHBondContact O-N 3.35Å; L298-I302 VanDerWaalsContact O-CB 3.27Å; L298-I302 WeakPolarHBondContact O-CB 3.39Å; L298-I302 WeakPolarHBondContact O-CD1 3.38Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 2.88Å
299I81.9Confident76.8Confident81 Ų81101.8 Ų101.842%0.41552%0.521SS..Hα-helixtrans-64.5-46.8174.1-72.5160.9000110.5S295 N296 K297 E301 I302 E303S295-I299 WeakPolarHBondContact O-CB 3.19Å; S295-I299 WeakPolarHBondContact O-CD1 3.41Å; S295-I299 WeakPolarHBondContact O-CG1 3.22Å; S295-I299 PolarHBondContact O-N 2.87Å; N296-I299 PolarHBondContact O-N 3.24Å; K297-I299 VanDerWaalsContact C-N 3.34Å; K297-I299 PolarHBondContact O-N 3.24Å; I299-E301 VanDerWaalsContact C-N 3.27Å; I299-E301 PolarHBondContact O-N 3.48Å; I299-I302 PolarHBondContact O-N 3.42Å; I299-E303 PolarHBondContact O-N 3.49Å
300V85.6Confident78.6Confident94 Ų94100.5 Ų100.557%0.5751%0.514SS*.Hα-helixtrans-62.1-36.8175.9172.10000111.5N296 K297 A304N296-V300 WeakPolarHBondContact O-CG2 3.2Å; N296-V300 PolarHBondContact O-N 3.43Å; K297-V300 PolarHBondContact O-N 3.43Å; V300-A304 VanDerWaalsContact O-CB 3.32Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 3.02Å
301E87.3Confident80.5Confident86 Ų8698.7 Ų98.740%0.40251%0.505SS..Hα-helixtrans-71.7-39.9177-162.7163.9157.700111.9K297 L298 I299 A304 L305K297-E301 IonicContact NZ-OE2 2.61Å; K297-E301 PolarHBondContact NZ-OE2 2.85Å; K297-E301 VanDerWaalsContact O-CB 3.29Å; K297-E301 WeakPolarHBondContact O-CB 3.07Å; K297-E301 PolarHBondContact O-N 2.97Å; L298-E301 PolarHBondContact O-N 3.35Å; I299-E301 VanDerWaalsContact C-N 3.27Å; I299-E301 PolarHBondContact O-N 3.48Å; E301-A304 PolarHBondContact O-N 2.9Å; E301-L305 HydrophobicContact CG-CD1 4.41Å; E301-L305 WeakPolarHBondContact O-CB 3.34Å; E301-L305 VanDerWaalsContact O-CG 3.24Å; E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.33Å
302I83.9Confident82.5Confident112 Ų11298.3 Ų98.357%0.57451%0.507SS*.Hα-helixtrans-65-41.6172.7-73.1162.5000110.9L298 I299 S306L298-I302 VanDerWaalsContact O-CB 3.27Å; L298-I302 WeakPolarHBondContact O-CB 3.39Å; L298-I302 WeakPolarHBondContact O-CD1 3.38Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 2.88Å; I299-I302 PolarHBondContact O-N 3.42Å; I302-S306 VanDerWaalsContact O-CB 3.25Å; I302-S306 WeakPolarHBondContact O-CB 3.32Å; I302-S306 PolarHBondContact O-N 3.13Å
303E89.4Confident84.6Confident103 Ų10397.2 Ų97.248%0.48151%0.506SS..Hα-helixtrans-65.8-39.2173-73.9-167.6-170.100112.1I299 S306 R307I299-E303 PolarHBondContact O-N 3.49Å; E303-S306 PolarHBondContact O-N 3.32Å; E303-R307 VanDerWaalsContact CB-NH2 3.26Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 WeakPolarHBondContact O-CG 3.22Å; E303-R307 PolarHBondContact O-N 3.47Å; E303-R307 IonicContact OE2-CZ 3.8Å; E303-R307 IonicContact OE2-NH2 2.77Å; E303-R307 PolarHBondContact OE2-NH2 3.1Å
304A89.7Confident86.2Confident42 Ų4293.5 Ų93.535%0.34750%0.496SS..Hα-helixtrans-62.4-48.617600000110.8V300 E301 S306 R307 E308V300-A304 VanDerWaalsContact O-CB 3.32Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 3.02Å; E301-A304 PolarHBondContact O-N 2.9Å; A304-S306 VanDerWaalsContact C-N 3.3Å; A304-S306 PolarHBondContact O-N 3.01Å; A304-R307 PolarHBondContact O-N 3.37Å; A304-E308 WeakPolarHBondContact O-CB 3.42Å; A304-E308 PolarHBondContact O-N 2.99Å
305L91.3Very high87.7Confident97 Ų9792.4 Ų92.451%0.50850%0.495SS..Hα-helixtrans-63.7-32.2174.4-70.5168.6000112.5E301 K309E301-L305 HydrophobicContact CG-CD1 4.41Å; E301-L305 WeakPolarHBondContact O-CB 3.34Å; E301-L305 VanDerWaalsContact O-CG 3.24Å; E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.33Å; L305-K309 WeakPolarHBondContact O-CB 3.15Å; L305-K309 PolarHBondContact O-N 2.9Å
306S90.5Very high89Confident73 Ų7397.7 Ų97.751%0.5151%0.509SS..Hα-helixtrans-71.9-35.7174.1-170.60000112.1I302 E303 A304 S310I302-S306 VanDerWaalsContact O-CB 3.25Å; I302-S306 WeakPolarHBondContact O-CB 3.32Å; I302-S306 PolarHBondContact O-N 3.13Å; E303-S306 PolarHBondContact O-N 3.32Å; A304-S306 VanDerWaalsContact C-N 3.3Å; A304-S306 PolarHBondContact O-N 3.01Å; S306-S310 WeakPolarHBondContact O-CB 3.27Å; S306-S310 PolarHBondContact O-N 2.64Å
307R92.4Very high90.1Very high141 Ų14197.3 Ų97.353%0.53251%0.506SS..Hα-helixtrans-70.6-42.2173-74.3-179.5-110.8110-6.3111.2E303 A304 S310 A311E303-R307 VanDerWaalsContact CB-NH2 3.26Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 WeakPolarHBondContact O-CG 3.22Å; E303-R307 PolarHBondContact O-N 3.47Å; E303-R307 IonicContact OE2-CZ 3.8Å; E303-R307 IonicContact OE2-NH2 2.77Å; E303-R307 PolarHBondContact OE2-NH2 3.1Å; A304-R307 PolarHBondContact O-N 3.37Å; R307-S310 PolarHBondContact O-N 2.89Å; R307-A311 PolarHBondContact O-N 3.34Å
308E92Very high90.7Very high119 Ų11994.3 Ų94.356%0.55650%0.501SS*.Hα-helixtrans-63.4-46.8174-174.3175.9-177.200111.4A304 S310 A311 V312A304-E308 WeakPolarHBondContact O-CB 3.42Å; A304-E308 PolarHBondContact O-N 2.99Å; E308-S310 VanDerWaalsContact C-N 3.32Å; E308-S310 PolarHBondContact O-N 3.48Å; E308-A311 WeakPolarHBondContact O-CB 3.46Å; E308-A311 PolarHBondContact O-N 2.91Å; E308-A311 VanDerWaalsContact O-N 3.08Å; E308-V312 HydrophobicContact CG-CG2 4.46Å; E308-V312 WeakPolarHBondContact O-CG2 3.26Å; E308-V312 PolarHBondContact O-N 3.23Å
309K93.3Very high91.4Very high135 Ų13595.3 Ų95.359%0.58750%0.504SS*.Hα-helixtrans-55-47.6172.2-177.1-164.9168.6-164.20110.9L305 A311 V312 E313L305-K309 WeakPolarHBondContact O-CB 3.15Å; L305-K309 PolarHBondContact O-N 2.9Å; K309-A311 VanDerWaalsContact C-N 3.27Å; K309-A311 PolarHBondContact O-N 3.12Å; K309-V312 PolarHBondContact O-N 2.98Å; K309-E313 WeakPolarHBondContact CE-OE2 3.24Å; K309-E313 IonicContact NZ-OE2 3.52Å; K309-E313 WeakPolarHBondContact O-CB 3.44Å; K309-E313 PolarHBondContact O-N 2.96Å
310S92.4Very high92Very high76 Ų7693.6 Ų93.653%0.53150%0.502SS..Hα-helixtrans-63.7-31.4178.8-171.30000112.9S306 R307 E308 S314S306-S310 WeakPolarHBondContact O-CB 3.27Å; S306-S310 PolarHBondContact O-N 2.64Å; R307-S310 PolarHBondContact O-N 2.89Å; E308-S310 VanDerWaalsContact C-N 3.32Å; E308-S310 PolarHBondContact O-N 3.48Å; S310-S314 WeakPolarHBondContact O-CB 3.42Å; S310-S314 PolarHBondContact O-N 2.88Å; S310-S314 VanDerWaalsContact O-N 3.11Å
311A94.1Very high92.5Very high51 Ų5195.6 Ų95.642%0.42150%0.503SS..Hα-helixtrans-71.2-49173.200000111.1R307 E308 K309 E313 S314 D315R307-A311 PolarHBondContact O-N 3.34Å; E308-A311 WeakPolarHBondContact O-CB 3.46Å; E308-A311 PolarHBondContact O-N 2.91Å; E308-A311 VanDerWaalsContact O-N 3.08Å; K309-A311 VanDerWaalsContact C-N 3.27Å; K309-A311 PolarHBondContact O-N 3.12Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-E313 PolarHBondContact O-N 3.47Å; A311-S314 WeakPolarHBondContact O-CB 3.42Å; A311-S314 PolarHBondContact O-N 3.35Å; A311-D315 PolarHBondContact O-N 3.37Å
312V93.8Very high92.9Very high89 Ų8994.6 Ų94.654%0.53950%0.501SS..Hα-helixtrans-61.6-36.4177172.70000111.8E308 K309 D315 Y316E308-V312 HydrophobicContact CG-CG2 4.46Å; E308-V312 WeakPolarHBondContact O-CG2 3.26Å; E308-V312 PolarHBondContact O-N 3.23Å; K309-V312 PolarHBondContact O-N 2.98Å; V312-D315 PolarHBondContact O-N 3.09Å; V312-Y316 WeakPolarHBondContact O-CB 3.46Å; V312-Y316 PolarHBondContact O-N 2.99Å
313E94.2Very high93.4Very high103 Ų10392.2 Ų92.248%0.48149%0.494SS..Hα-helixtrans-69.8-39.9175.9-169.6165.1173.400111.4K309 A311 Y316 I317K309-E313 WeakPolarHBondContact CE-OE2 3.24Å; K309-E313 IonicContact NZ-OE2 3.52Å; K309-E313 WeakPolarHBondContact O-CB 3.44Å; K309-E313 PolarHBondContact O-N 2.96Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-E313 PolarHBondContact O-N 3.47Å; E313-Y316 PolarHBondContact O-N 2.85Å; E313-I317 HydrophobicContact CG-CD1 4.4Å; E313-I317 WeakPolarHBondContact O-CB 3.36Å; E313-I317 WeakPolarHBondContact O-CD1 3.38Å; E313-I317 VanDerWaalsContact O-CG1 3.24Å; E313-I317 WeakPolarHBondContact O-CG1 3.47Å; E313-I317 PolarHBondContact O-N 3.47Å
314S93.6Very high93.7Very high71 Ų7194.2 Ų94.250%0.49750%0.503SS..Hα-helixtrans-62.3-46.1170.7177.30000112.3S310 A311 I317 S318S310-S314 WeakPolarHBondContact O-CB 3.42Å; S310-S314 PolarHBondContact O-N 2.88Å; S310-S314 VanDerWaalsContact O-N 3.11Å; A311-S314 WeakPolarHBondContact O-CB 3.42Å; A311-S314 PolarHBondContact O-N 3.35Å; S314-I317 PolarHBondContact O-N 3Å; S314-S318 WeakPolarHBondContact O-CB 3.43Å; S314-S318 PolarHBondContact O-N 3.25Å
315D95.7Very high94Very high109 Ų10998.2 Ų98.258%0.58351%0.509SS*.Hα-helixtrans-67.7-35.6178.4-78.1-8.1000112A311 V312 S318 M319A311-D315 PolarHBondContact O-N 3.37Å; V312-D315 PolarHBondContact O-N 3.09Å; D315-S318 WeakPolarHBondContact O-CB 3.45Å; D315-S318 PolarHBondContact O-N 3.22Å; D315-M319 WeakPolarHBondContact O-CB 3.47Å; D315-M319 PolarHBondContact O-N 2.75Å
316Y95.1Very high94.2Very high160 Ų16099.7 Ų99.763%0.62751%0.508SS*.Hα-helixtrans-63.2-45.8171.7-179.2-95.8000111.4V312 E313 S318 M319 A320V312-Y316 WeakPolarHBondContact O-CB 3.46Å; V312-Y316 PolarHBondContact O-N 2.99Å; E313-Y316 PolarHBondContact O-N 2.85Å; Y316-S318 VanDerWaalsContact C-N 3.3Å; Y316-S318 PolarHBondContact O-N 3.3Å; Y316-M319 PolarHBondContact O-N 2.9Å; Y316-A320 VanDerWaalsContact O-CB 3.23Å; Y316-A320 WeakPolarHBondContact O-CB 3.3Å; Y316-A320 PolarHBondContact O-N 2.8Å
317I95Very high94.4Very high79 Ų7998.9 Ų98.941%0.40551%0.506SS..Hα-helixtrans-62.2-38.4174.6-70.5164.4000111E313 S314 K321E313-I317 HydrophobicContact CG-CD1 4.4Å; E313-I317 WeakPolarHBondContact O-CB 3.36Å; E313-I317 WeakPolarHBondContact O-CD1 3.38Å; E313-I317 VanDerWaalsContact O-CG1 3.24Å; E313-I317 WeakPolarHBondContact O-CG1 3.47Å; E313-I317 PolarHBondContact O-N 3.47Å; S314-I317 PolarHBondContact O-N 3Å; I317-K321 HydrophobicContact CG2-CD 4.36Å; I317-K321 WeakPolarHBondContact O-CG 3.4Å; I317-K321 PolarHBondContact O-N 3.39Å; I317-K321 VanDerWaalsContact O-N 3.14Å
318S93.6Very high94.6Very high64 Ų6495.2 Ų95.245%0.44850%0.502SS..Hα-helixtrans-65-51.9175.7-166.30000111.5S314 D315 Y316 A320 K321 D322S314-S318 WeakPolarHBondContact O-CB 3.43Å; S314-S318 PolarHBondContact O-N 3.25Å; D315-S318 WeakPolarHBondContact O-CB 3.45Å; D315-S318 PolarHBondContact O-N 3.22Å; Y316-S318 VanDerWaalsContact C-N 3.3Å; Y316-S318 PolarHBondContact O-N 3.3Å; S318-A320 VanDerWaalsContact C-N 3.29Å; S318-A320 PolarHBondContact O-N 3.29Å; S318-K321 WeakPolarHBondContact O-CB 3.3Å; S318-K321 PolarHBondContact O-N 3.46Å; S318-K321 VanDerWaalsContact O-N 3.15Å; S318-D322 PolarHBondContact O-N 3.16Å
319M94.4Very high94.8Very high116 Ų11692.9 Ų92.957%0.57149%0.491SS*.Hα-helixtrans-65.3-31.3179-170.9173.96500112.5D315 Y316 D322 S323D315-M319 WeakPolarHBondContact O-CB 3.47Å; D315-M319 PolarHBondContact O-N 2.75Å; Y316-M319 PolarHBondContact O-N 2.9Å; M319-D322 PolarHBondContact O-N 3.42Å; M319-S323 VanDerWaalsContact O-CB 3.29Å; M319-S323 WeakPolarHBondContact O-CB 3.44Å; M319-S323 PolarHBondContact O-N 3.04Å
320A95.5Very high95Very high45 Ų4589.2 Ų89.237%0.37249%0.486SS..Hα-helixtrans-64.7-45.9172.100000111.6Y316 S318 D322 S323 Q324Y316-A320 VanDerWaalsContact O-CB 3.23Å; Y316-A320 WeakPolarHBondContact O-CB 3.3Å; Y316-A320 PolarHBondContact O-N 2.8Å; S318-A320 VanDerWaalsContact C-N 3.29Å; S318-A320 PolarHBondContact O-N 3.29Å; A320-D322 PolarHBondContact O-N 3.12Å; A320-S323 WeakPolarHBondContact O-CB 3.45Å; A320-S323 PolarHBondContact O-N 3.42Å; A320-Q324 WeakPolarHBondContact O-CB 3.37Å; A320-Q324 PolarHBondContact O-N 3.11Å
321K95.3Very high95.2Very high136 Ų13689 Ų8959%0.59148%0.481SS*.Hα-helixtrans-61-43.3173.4-70.3165.8-177.7173.40111.6I317 S318 S323 Q324 R325I317-K321 HydrophobicContact CG2-CD 4.36Å; I317-K321 WeakPolarHBondContact O-CG 3.4Å; I317-K321 PolarHBondContact O-N 3.39Å; I317-K321 VanDerWaalsContact O-N 3.14Å; S318-K321 WeakPolarHBondContact O-CB 3.3Å; S318-K321 PolarHBondContact O-N 3.46Å; S318-K321 VanDerWaalsContact O-N 3.15Å; K321-S323 VanDerWaalsContact C-N 3.32Å; K321-S323 PolarHBondContact O-N 2.95Å; K321-Q324 PolarHBondContact O-N 3.19Å; K321-R325 PolarHBondContact O-N 3.06Å
322D95.6Very high95.3Very high65 Ų6588.9 Ų88.935%0.34848%0.48SS..Hα-helixtrans-66.4-31.7175.9-106.49.4000113S318 M319 A320 R325 R326S318-D322 PolarHBondContact O-N 3.16Å; M319-D322 PolarHBondContact O-N 3.42Å; A320-D322 PolarHBondContact O-N 3.12Å; D322-R325 IonicContact OD1-CZ 2.81Å; D322-R325 IonicContact OD1-NH1 3.21Å; D322-R325 PolarHBondContact OD1-NH1 3.14Å; D322-R325 IonicContact OD1-NH2 3.09Å; D322-R325 PolarHBondContact OD1-NH2 3.46Å; D322-R325 IonicContact OD2-NH2 2.68Å; D322-R326 WeakPolarHBondContact O-CB 3.45Å; D322-R326 WeakPolarHBondContact O-CG 3.19Å; D322-R326 PolarHBondContact O-N 2.9Å; D322-R326 VanDerWaalsContact O-N 3.14Å; D322-R326 PolarHBondContact O-NE 3.36Å
323S93.9Very high95.4Very high63 Ų6390.2 Ų90.244%0.44148%0.479SS..Hα-helixtrans-70.4-44.4172.4-166.20000111.2M319 A320 K321 R325 R326 A327M319-S323 VanDerWaalsContact O-CB 3.29Å; M319-S323 WeakPolarHBondContact O-CB 3.44Å; M319-S323 PolarHBondContact O-N 3.04Å; A320-S323 WeakPolarHBondContact O-CB 3.45Å; A320-S323 PolarHBondContact O-N 3.42Å; K321-S323 VanDerWaalsContact C-N 3.32Å; K321-S323 PolarHBondContact O-N 2.95Å; S323-R325 PolarHBondContact O-N 3.11Å; S323-R326 PolarHBondContact O-N 3.34Å; S323-A327 WeakPolarHBondContact O-CB 3.28Å; S323-A327 PolarHBondContact O-N 2.84Å
324Q96Very high95.5Very high144 Ų14489.8 Ų89.867%0.67348%0.477SS*.Hα-helixtrans-62.7-40.2175.4-171.4176.3-0.500112.2A320 K321 A327 S328A320-Q324 WeakPolarHBondContact O-CB 3.37Å; A320-Q324 PolarHBondContact O-N 3.11Å; K321-Q324 PolarHBondContact O-N 3.19Å; Q324-A327 PolarHBondContact O-N 3.29Å; Q324-S328 PolarHBondContact O-N 2.67Å
325R95.9Very high95.7Very high126 Ų12694.6 Ų94.648%0.47548%0.484SS..Hα-helixtrans-60.2-52.1172.6-170-176.865.1-110.6-10.7110.7K321 D322 S323 A327 S328 E329K321-R325 PolarHBondContact O-N 3.06Å; D322-R325 IonicContact OD1-CZ 2.81Å; D322-R325 IonicContact OD1-NH1 3.21Å; D322-R325 PolarHBondContact OD1-NH1 3.14Å; D322-R325 IonicContact OD1-NH2 3.09Å; D322-R325 PolarHBondContact OD1-NH2 3.46Å; D322-R325 IonicContact OD2-NH2 2.68Å; S323-R325 PolarHBondContact O-N 3.11Å; R325-A327 VanDerWaalsContact C-N 3.28Å; R325-A327 PolarHBondContact O-N 2.91Å; R325-S328 PolarHBondContact O-N 3.09Å; R325-S328 VanDerWaalsContact O-N 3.09Å; R325-S328 PolarHBondContact O-OG 2.82Å; R325-E329 HydrophobicContact CG-CG 4.49Å; R325-E329 IonicContact NE-OE1 3.64Å; R325-E329 PolarHBondContact NE-OE1 2.92Å; R325-E329 WeakPolarHBondContact O-CG 3.4Å; R325-E329 PolarHBondContact O-N 3.26Å
326R95.7Very high95.8Very high129 Ų12993.1 Ų93.149%0.48748%0.479SS..Hα-helixtrans-58.6-36.8177.5-75.9175.4-70.6156.2-6.3112.9D322 S323 A330D322-R326 WeakPolarHBondContact O-CB 3.45Å; D322-R326 WeakPolarHBondContact O-CG 3.19Å; D322-R326 PolarHBondContact O-N 2.9Å; D322-R326 VanDerWaalsContact O-N 3.14Å; D322-R326 PolarHBondContact O-NE 3.36Å; S323-R326 PolarHBondContact O-N 3.34Å; R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.32Å; R326-A330 PolarHBondContact O-N 2.9Å
327A96Very high95.9Very high55 Ų5589.4 Ų89.446%0.45547%0.469SS..Hα-helixtrans-65.2-45.7173.900000111.8S323 Q324 R325 A330 T331S323-A327 WeakPolarHBondContact O-CB 3.28Å; S323-A327 PolarHBondContact O-N 2.84Å; Q324-A327 PolarHBondContact O-N 3.29Å; R325-A327 VanDerWaalsContact C-N 3.28Å; R325-A327 PolarHBondContact O-N 2.91Å; A327-A330 PolarHBondContact O-N 2.89Å; A327-T331 WeakPolarHBondContact O-CG2 3.41Å; A327-T331 PolarHBondContact O-N 3.44Å
328S95.8Very high96Very high65 Ų6589.4 Ų89.446%0.45547%0.47SS..Hα-helixtrans-62.5-44.6176.171.30000112.1Q324 R325 A330 T331 A332Q324-S328 PolarHBondContact O-N 2.67Å; R325-S328 PolarHBondContact O-N 3.09Å; R325-S328 VanDerWaalsContact O-N 3.09Å; R325-S328 PolarHBondContact O-OG 2.82Å; S328-A330 VanDerWaalsContact C-N 3.33Å; S328-A330 PolarHBondContact O-N 2.72Å; S328-T331 PolarHBondContact O-N 3.32Å; S328-T331 PolarHBondContact O-OG1 3.19Å; S328-A332 PolarHBondContact O-N 3.06Å
329E96.3Very high96.2Very high70 Ų7090.4 Ų90.433%0.32747%0.474SS..Hα-helixtrans-57.9-42.3173-72.8179.7-133.500112.4R325 A332 K333R325-E329 HydrophobicContact CG-CG 4.49Å; R325-E329 IonicContact NE-OE1 3.64Å; R325-E329 PolarHBondContact NE-OE1 2.92Å; R325-E329 WeakPolarHBondContact O-CG 3.4Å; R325-E329 PolarHBondContact O-N 3.26Å; E329-A332 PolarHBondContact O-N 3.34Å; E329-K333 WeakPolarHBondContact O-CB 3.08Å; E329-K333 WeakPolarHBondContact O-CD 3.37Å; E329-K333 VanDerWaalsContact O-CG 3.3Å; E329-K333 WeakPolarHBondContact O-CG 3.39Å; E329-K333 PolarHBondContact O-N 3.16Å; E329-K333 IonicContact OE2-NZ 3.65Å; E329-K333 PolarHBondContact OE2-NZ 2.85Å
330A96.3Very high96.3Very high57 Ų5789.6 Ų89.647%0.47147%0.471SS..Hα-helixtrans-64.3-42.8177.600000111.5R326 A327 S328 A332 K333 Q334R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.32Å; R326-A330 PolarHBondContact O-N 2.9Å; A327-A330 PolarHBondContact O-N 2.89Å; S328-A330 VanDerWaalsContact C-N 3.33Å; S328-A330 PolarHBondContact O-N 2.72Å; A330-A332 VanDerWaalsContact C-N 3.33Å; A330-A332 PolarHBondContact O-N 2.94Å; A330-K333 PolarHBondContact O-N 3.01Å; A330-Q334 WeakPolarHBondContact O-CB 3.31Å; A330-Q334 PolarHBondContact O-N 3.49Å
331T96.5Very high96.4Very high72 Ų7291 Ų9144%0.44247%0.472SS..Hα-helixtrans-66.3-33.9174.764.50000112.8A327 S328 Q334 R335A327-T331 WeakPolarHBondContact O-CG2 3.41Å; A327-T331 PolarHBondContact O-N 3.44Å; S328-T331 PolarHBondContact O-N 3.32Å; S328-T331 PolarHBondContact O-OG1 3.19Å; T331-Q334 PolarHBondContact O-N 3.19Å; T331-R335 WeakPolarHBondContact O-CG 3.45Å; T331-R335 PolarHBondContact O-N 3.22Å
332A96.1Very high96.5Very high48 Ų4888.9 Ų88.940%0.39747%0.465SS..Hα-helixtrans-66-45.3173.900000111.5S328 E329 A330 Q334 R335 T336S328-A332 PolarHBondContact O-N 3.06Å; E329-A332 PolarHBondContact O-N 3.34Å; A330-A332 VanDerWaalsContact C-N 3.33Å; A330-A332 PolarHBondContact O-N 2.94Å; A332-Q334 VanDerWaalsContact C-N 3.32Å; A332-Q334 PolarHBondContact O-N 2.9Å; A332-R335 PolarHBondContact O-N 2.72Å; A332-T336 PolarHBondContact O-N 2.88Å; A332-T336 VanDerWaalsContact O-N 3.09Å
333K97.3Very high96.6Very high117 Ų11788.7 Ų88.751%0.50947%0.466SS..Hα-helixtrans-63.3-35.3174.8-71160.2-176.5160.30112E329 A330 T336 I337E329-K333 WeakPolarHBondContact O-CB 3.08Å; E329-K333 WeakPolarHBondContact O-CD 3.37Å; E329-K333 VanDerWaalsContact O-CG 3.3Å; E329-K333 WeakPolarHBondContact O-CG 3.39Å; E329-K333 PolarHBondContact O-N 3.16Å; E329-K333 IonicContact OE2-NZ 3.65Å; E329-K333 PolarHBondContact OE2-NZ 2.85Å; A330-K333 PolarHBondContact O-N 3.01Å; K333-T336 PolarHBondContact O-OG1 3.34Å; K333-I337 WeakPolarHBondContact O-CB 3.27Å; K333-I337 WeakPolarHBondContact O-CD1 3.32Å; K333-I337 VanDerWaalsContact O-CG1 3.24Å; K333-I337 WeakPolarHBondContact O-CG1 3.24Å; K333-I337 PolarHBondContact O-N 2.72Å
334Q96.1Very high96.8Very high94 Ų9490.6 Ų90.644%0.43947%0.47SS..Hα-helixtrans-65.3-46.3173.2-174.157.249.200111.6A330 T331 A332 T336 I337 D338A330-Q334 WeakPolarHBondContact O-CB 3.31Å; A330-Q334 PolarHBondContact O-N 3.49Å; T331-Q334 PolarHBondContact O-N 3.19Å; A332-Q334 VanDerWaalsContact C-N 3.32Å; A332-Q334 PolarHBondContact O-N 2.9Å; Q334-T336 VanDerWaalsContact C-N 3.32Å; Q334-T336 PolarHBondContact O-N 3.35Å; Q334-I337 WeakPolarHBondContact O-CB 3.47Å; Q334-I337 PolarHBondContact O-N 3Å; Q334-I337 VanDerWaalsContact O-N 3.16Å; Q334-D338 WeakPolarHBondContact CG-OD2 3.5Å; Q334-D338 VanDerWaalsContact NE2-CG 3.25Å; Q334-D338 PolarHBondContact NE2-OD1 2.75Å; Q334-D338 PolarHBondContact NE2-OD2 3.33Å; Q334-D338 VanDerWaalsContact O-CG 3.3Å; Q334-D338 PolarHBondContact O-N 2.95Å
335R96.9Very high96.8Very high172 Ų17290.2 Ų90.265%0.64946%0.462SS*.Hα-helixtrans-59.1-39.9176.6-68.9169.7-165.21705.2112.6T331 A332 D338 T339T331-R335 WeakPolarHBondContact O-CG 3.45Å; T331-R335 PolarHBondContact O-N 3.22Å; A332-R335 PolarHBondContact O-N 2.72Å; R335-D338 PolarHBondContact O-N 2.84Å; R335-T339 WeakPolarHBondContact O-CB 3.48Å; R335-T339 PolarHBondContact O-N 3.21Å; R335-T339 PolarHBondContact O-OG1 2.82Å
336T97.5Very high96.9Very high79 Ų7987.2 Ų87.249%0.48546%0.456SS..Hα-helixtrans-69.9-38.5176.357.60000111.8A332 K333 Q334 T339 L340A332-T336 PolarHBondContact O-N 2.88Å; A332-T336 VanDerWaalsContact O-N 3.09Å; K333-T336 PolarHBondContact O-OG1 3.34Å; Q334-T336 VanDerWaalsContact C-N 3.32Å; Q334-T336 PolarHBondContact O-N 3.35Å; T336-T339 PolarHBondContact O-N 2.92Å; T336-L340 WeakPolarHBondContact O-CB 3.17Å; T336-L340 VanDerWaalsContact O-CG 3.26Å; T336-L340 WeakPolarHBondContact O-CG 3.33Å; T336-L340 PolarHBondContact O-N 2.82Å
337I97.4Very high97Very high81 Ų8186.2 Ų86.242%0.41546%0.459SS..Hα-helixtrans-59.6-45.9171.3-72.7165.4000111.2K333 Q334 T339 L340 N341K333-I337 WeakPolarHBondContact O-CB 3.27Å; K333-I337 WeakPolarHBondContact O-CD1 3.32Å; K333-I337 VanDerWaalsContact O-CG1 3.24Å; K333-I337 WeakPolarHBondContact O-CG1 3.24Å; K333-I337 PolarHBondContact O-N 2.72Å; Q334-I337 WeakPolarHBondContact O-CB 3.47Å; Q334-I337 PolarHBondContact O-N 3Å; Q334-I337 VanDerWaalsContact O-N 3.16Å; I337-T339 VanDerWaalsContact C-N 3.34Å; I337-T339 PolarHBondContact O-N 3.1Å; I337-L340 PolarHBondContact O-N 2.92Å; I337-N341 WeakPolarHBondContact CG2-ND2 3.45Å; I337-N341 VanDerWaalsContact O-CB 3.29Å; I337-N341 WeakPolarHBondContact O-CB 3.18Å; I337-N341 PolarHBondContact O-N 2.76Å; I337-N341 PolarHBondContact O-ND2 3.26Å; I337-N341 VanDerWaalsContact O-ND2 3.15Å
338D97.3Very high97Very high79 Ų7985.4 Ų85.442%0.42245%0.453SS..Hα-helixtrans-66.3-37179.6-66.5-34.5000112.3Q334 R335 N341 H342Q334-D338 WeakPolarHBondContact CG-OD2 3.5Å; Q334-D338 VanDerWaalsContact NE2-CG 3.25Å; Q334-D338 PolarHBondContact NE2-OD1 2.75Å; Q334-D338 PolarHBondContact NE2-OD2 3.33Å; Q334-D338 VanDerWaalsContact O-CG 3.3Å; Q334-D338 PolarHBondContact O-N 2.95Å; R335-D338 PolarHBondContact O-N 2.84Å; D338-N341 PolarHBondContact O-N 2.93Å; D338-H342 PolarHBondContact O-N 2.96Å
339T97.4Very high97.1Very high85 Ų8587.6 Ų87.652%0.52146%0.46SS..Hα-helixtrans-64.7-48.2173.6-55.90000111.2R335 T336 I337 N341 H342 T343R335-T339 WeakPolarHBondContact O-CB 3.48Å; R335-T339 PolarHBondContact O-N 3.21Å; R335-T339 PolarHBondContact O-OG1 2.82Å; T336-T339 PolarHBondContact O-N 2.92Å; I337-T339 VanDerWaalsContact C-N 3.34Å; I337-T339 PolarHBondContact O-N 3.1Å; T339-N341 PolarHBondContact O-N 2.89Å; T339-H342 WeakPolarHBondContact O-CA 3.25Å; T339-H342 WeakPolarHBondContact O-CB 3.13Å; T339-H342 PolarHBondContact O-N 3.37Å; T339-T343 PolarHBondContact O-N 3.42Å
340L97.9Very high97.1Very high100 Ų10090.3 Ų90.352%0.52447%0.472SS..Hα-helixtrans-64.2-39.5176.4-71.1169.7000111.8T336 I337 H342 T343 I344T336-L340 WeakPolarHBondContact O-CB 3.17Å; T336-L340 VanDerWaalsContact O-CG 3.26Å; T336-L340 WeakPolarHBondContact O-CG 3.33Å; T336-L340 PolarHBondContact O-N 2.82Å; I337-L340 PolarHBondContact O-N 2.92Å; L340-H342 PolarHBondContact O-N 2.85Å; L340-T343 PolarHBondContact O-N 3.01Å; L340-T343 PolarHBondContact O-OG1 3.35Å; L340-T343 VanDerWaalsContact O-OG1 3.07Å; L340-I344 WeakPolarHBondContact O-CB 3.44Å; L340-I344 WeakPolarHBondContact O-CD1 3.36Å; L340-I344 WeakPolarHBondContact O-CG1 3.45Å; L340-I344 PolarHBondContact O-N 2.86Å
341N97.6Very high97.1Very high74 Ų7494.5 Ų94.540%0.39648%0.476SS..Hα-helixtrans-62.9-29.7172.7-76.5-33.5000111.9I337 D338 T339 R345I337-N341 WeakPolarHBondContact CG2-ND2 3.45Å; I337-N341 VanDerWaalsContact O-CB 3.29Å; I337-N341 WeakPolarHBondContact O-CB 3.18Å; I337-N341 PolarHBondContact O-N 2.76Å; I337-N341 PolarHBondContact O-ND2 3.26Å; I337-N341 VanDerWaalsContact O-ND2 3.15Å; D338-N341 PolarHBondContact O-N 2.93Å; T339-N341 PolarHBondContact O-N 2.89Å; N341-R345 WeakPolarHBondContact O-CG 3.23Å; N341-R345 PolarHBondContact O-N 3.34Å; N341-R345 PolarHBondContact O-NE 3.04Å; N341-R345 PolarHBondContact O-NH2 2.87Å
342H96.8Very high97.2Very high92 Ų9295 Ų9543%0.42648%0.478SS..Hα-helixtrans-75.4-46.2173.6-177.845.3000112D338 T339 L340 I344 R345 N346D338-H342 PolarHBondContact O-N 2.96Å; T339-H342 WeakPolarHBondContact O-CA 3.25Å; T339-H342 WeakPolarHBondContact O-CB 3.13Å; T339-H342 PolarHBondContact O-N 3.37Å; L340-H342 PolarHBondContact O-N 2.85Å; H342-I344 VanDerWaalsContact C-N 3.35Å; H342-I344 PolarHBondContact O-N 3.29Å; H342-R345 PolarHBondContact O-N 3.04Å; H342-R345 VanDerWaalsContact O-N 3.16Å; H342-N346 PolarHBondContact CE1-ND2 2.97Å; H342-N346 PolarHBondContact CE1-OD1 3.32Å; H342-N346 PolarHBondContact ND1-OD1 3.44Å; H342-N346 PolarHBondContact NE2-ND2 2.93Å; H342-N346 VanDerWaalsContact NE2-ND2 3.11Å; H342-N346 VanDerWaalsContact O-CG 3.24Å; H342-N346 PolarHBondContact O-N 3.03Å; H342-N346 PolarHBondContact O-OD1 2.97Å
343T97.7Very high97.1Very high60 Ų6095.8 Ų95.837%0.36847%0.474SS..Hα-helixtrans-63.2-39.817759.10000111.9T339 L340 R345 N346 L347T339-T343 PolarHBondContact O-N 3.42Å; L340-T343 PolarHBondContact O-N 3.01Å; L340-T343 PolarHBondContact O-OG1 3.35Å; L340-T343 VanDerWaalsContact O-OG1 3.07Å; T343-R345 VanDerWaalsContact C-N 3.34Å; T343-R345 PolarHBondContact O-N 3.44Å; T343-N346 PolarHBondContact O-N 3.03Å; T343-L347 WeakPolarHBondContact O-CB 3.4Å; T343-L347 VanDerWaalsContact O-CG 3.28Å; T343-L347 WeakPolarHBondContact O-CG 3.46Å; T343-L347 PolarHBondContact O-N 3.19Å
344I97.5Very high97.1Very high104 Ų10492.8 Ų92.853%0.53347%0.471SS..Hα-helixtrans-59.6-42173.4-70.3165.5000111.5L340 H342 A348L340-I344 WeakPolarHBondContact O-CB 3.44Å; L340-I344 WeakPolarHBondContact O-CD1 3.36Å; L340-I344 WeakPolarHBondContact O-CG1 3.45Å; L340-I344 PolarHBondContact O-N 2.86Å; H342-I344 VanDerWaalsContact C-N 3.35Å; H342-I344 PolarHBondContact O-N 3.29Å; I344-A348 VanDerWaalsContact O-CB 3.28Å; I344-A348 WeakPolarHBondContact O-CB 3.47Å; I344-A348 PolarHBondContact O-N 3.22Å
345R97.3Very high97.1Very high136 Ų13692.9 Ų92.951%0.51347%0.471SS..Hα-helixtrans-64.5-42.7174.8-82.5174.4-75.5146-4.4112.1N341 H342 T343 A348 N349N341-R345 WeakPolarHBondContact O-CG 3.23Å; N341-R345 PolarHBondContact O-N 3.34Å; N341-R345 PolarHBondContact O-NE 3.04Å; N341-R345 PolarHBondContact O-NH2 2.87Å; H342-R345 PolarHBondContact O-N 3.04Å; H342-R345 VanDerWaalsContact O-N 3.16Å; T343-R345 VanDerWaalsContact C-N 3.34Å; T343-R345 PolarHBondContact O-N 3.44Å; R345-A348 PolarHBondContact O-N 2.89Å; R345-N349 VanDerWaalsContact O-CG 3.28Å; R345-N349 PolarHBondContact O-N 3.34Å
346N97.2Very high97.2Very high63 Ų6390.1 Ų90.134%0.33746%0.461SS..Hα-helixtrans-65.4-43.7179-62.6-7.3000111.2H342 T343 N349 Q350H342-N346 PolarHBondContact CE1-ND2 2.97Å; H342-N346 PolarHBondContact CE1-OD1 3.32Å; H342-N346 PolarHBondContact ND1-OD1 3.44Å; H342-N346 PolarHBondContact NE2-ND2 2.93Å; H342-N346 VanDerWaalsContact NE2-ND2 3.11Å; H342-N346 VanDerWaalsContact O-CG 3.24Å; H342-N346 PolarHBondContact O-N 3.03Å; H342-N346 PolarHBondContact O-OD1 2.97Å; T343-N346 PolarHBondContact O-N 3.03Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-Q350 WeakPolarHBondContact O-CG 3.23Å; N346-Q350 PolarHBondContact O-N 2.87Å
347L97.3Very high97.1Very high107 Ų10792 Ų9256%0.5646%0.459SS*.Hα-helixtrans-64.6-38.8174.9-70.6168.7000112.3T343 Q350 R351T343-L347 WeakPolarHBondContact O-CB 3.4Å; T343-L347 VanDerWaalsContact O-CG 3.28Å; T343-L347 WeakPolarHBondContact O-CG 3.46Å; T343-L347 PolarHBondContact O-N 3.19Å; L347-Q350 PolarHBondContact O-N 3.09Å; L347-R351 WeakPolarHBondContact O-CB 3.45Å; L347-R351 PolarHBondContact O-N 3.33Å
348A96.8Very high97.1Very high39 Ų3994.2 Ų94.232%0.32247%0.471SS..Hα-helixtrans-63.7-42.6174.900000111.9I344 R345 R351 V352I344-A348 VanDerWaalsContact O-CB 3.28Å; I344-A348 WeakPolarHBondContact O-CB 3.47Å; I344-A348 PolarHBondContact O-N 3.22Å; R345-A348 PolarHBondContact O-N 2.89Å; A348-R351 PolarHBondContact O-N 2.93Å; A348-V352 WeakPolarHBondContact O-CG2 3.41Å; A348-V352 PolarHBondContact O-N 2.88Å
349N96.9Very high97Very high111 Ų11191.6 Ų91.659%0.59446%0.463SS*.Hα-helixtrans-63.6-44.5174.6-69.4-9.2000111.5R345 N346 R351 V352 E353R345-N349 VanDerWaalsContact O-CG 3.28Å; R345-N349 PolarHBondContact O-N 3.34Å; N346-N349 PolarHBondContact O-N 3.38Å; N349-R351 VanDerWaalsContact C-N 3.31Å; N349-R351 PolarHBondContact O-N 3.04Å; N349-V352 PolarHBondContact O-N 2.94Å; N349-E353 VanDerWaalsContact O-CB 3.27Å; N349-E353 WeakPolarHBondContact O-CB 3.42Å; N349-E353 PolarHBondContact O-N 3.4Å
350Q97.1Very high97Very high127 Ų12790 Ų9059%0.59345%0.451SS*.Hα-helixtrans-59.8-40.2174.2-75.5175.5-14.900112N346 L347 E353 A354N346-Q350 WeakPolarHBondContact O-CG 3.23Å; N346-Q350 PolarHBondContact O-N 2.87Å; L347-Q350 PolarHBondContact O-N 3.09Å; Q350-E353 PolarHBondContact O-N 3.41Å; Q350-A354 WeakPolarHBondContact O-CB 3.35Å; Q350-A354 PolarHBondContact O-N 2.99Å
351R97.4Very high96.9Very high145 Ų14592.4 Ų92.455%0.54745%0.454SS..Hα-helixtrans-62.7-48.5177-156.5-163.680.8-127.3-12.5111.6L347 A348 N349 E353 A354 E355L347-R351 WeakPolarHBondContact O-CB 3.45Å; L347-R351 PolarHBondContact O-N 3.33Å; A348-R351 PolarHBondContact O-N 2.93Å; N349-R351 VanDerWaalsContact C-N 3.31Å; N349-R351 PolarHBondContact O-N 3.04Å; R351-E353 VanDerWaalsContact C-N 3.31Å; R351-E353 PolarHBondContact O-N 3.42Å; R351-A354 PolarHBondContact O-N 3.02Å; R351-E355 IonicContact CZ-OE1 2.69Å; R351-E355 IonicContact CZ-OE2 3.07Å; R351-E355 IonicContact NE-OE1 2.96Å; R351-E355 PolarHBondContact NE-OE1 3.47Å; R351-E355 IonicContact NE-OE2 2.91Å; R351-E355 IonicContact NH2-OE1 3.68Å; R351-E355 PolarHBondContact NH2-OE1 2.99Å; R351-E355 IonicContact NH2-OE2 3.65Å; R351-E355 PolarHBondContact NH2-OE2 3.49Å; R351-E355 WeakPolarHBondContact O-CB 3.44Å; R351-E355 VanDerWaalsContact O-CG 3.24Å; R351-E355 WeakPolarHBondContact O-CG 3.34Å; R351-E355 PolarHBondContact O-N 3.44Å
352V97.2Very high96.9Very high82 Ų8291.7 Ų91.750%0.49746%0.455SS..Hα-helixtrans-62.7-38.6177.7172.10000111.6A348 N349 A354 E355 R356A348-V352 WeakPolarHBondContact O-CG2 3.41Å; A348-V352 PolarHBondContact O-N 2.88Å; N349-V352 PolarHBondContact O-N 2.94Å; V352-A354 VanDerWaalsContact C-N 3.35Å; V352-E355 PolarHBondContact O-N 3.09Å; V352-R356 WeakPolarHBondContact O-CB 3.45Å; V352-R356 PolarHBondContact O-N 3.07Å
353E95.4Very high96.9Very high65 Ų6594.2 Ų94.230%0.30446%0.461SS..Hα-helixtrans-77.1-21.4-179.4-171.933.9-136.700112.4N349 Q350 R351 R356 R357N349-E353 VanDerWaalsContact O-CB 3.27Å; N349-E353 WeakPolarHBondContact O-CB 3.42Å; N349-E353 PolarHBondContact O-N 3.4Å; Q350-E353 PolarHBondContact O-N 3.41Å; R351-E353 VanDerWaalsContact C-N 3.31Å; R351-E353 PolarHBondContact O-N 3.42Å; E353-R356 IonicContact OE1-CZ 2.67Å; E353-R356 IonicContact OE1-NE 3.24Å; E353-R356 IonicContact OE1-NH2 2.75Å; E353-R356 PolarHBondContact OE1-NH2 2.95Å; E353-R356 IonicContact OE2-CZ 3.09Å; E353-R356 IonicContact OE2-NE 2.72Å; E353-R356 PolarHBondContact OE2-NE 3.09Å; E353-R356 IonicContact OE2-NH2 3.5Å; E353-R357 VanDerWaalsContact CG-NH1 3.33Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 PolarHBondContact O-NH1 3.14Å; E353-R357 IonicContact OE1-CZ 2.72Å; E353-R357 IonicContact OE1-NH1 2.72Å; E353-R357 PolarHBondContact OE1-NH1 2.96Å; E353-R357 IonicContact OE1-NH2 2.84Å; E353-R357 PolarHBondContact OE1-NH2 3.06Å; E353-R357 VanDerWaalsContact OE1-NH2 3.15Å
354A96.6Very high96.8Very high54 Ų5496.3 Ų96.345%0.44647%0.466SS..Hα-helixtrans-78.5-44.1165.600000112.3Q350 R351 V352 R356 R357 L358Q350-A354 WeakPolarHBondContact O-CB 3.35Å; Q350-A354 PolarHBondContact O-N 2.99Å; R351-A354 PolarHBondContact O-N 3.02Å; V352-A354 VanDerWaalsContact C-N 3.35Å; A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.28Å; A354-R357 PolarHBondContact O-N 3.07Å; A354-L358 PolarHBondContact O-N 3.39Å
355E96.8Very high96.8Very high95 Ų9596.4 Ų96.444%0.44446%0.463SS..Hα-helixtrans-55.3-41.9172.8-75164.717600110.9R351 V352 L358 G359R351-E355 IonicContact CZ-OE1 2.69Å; R351-E355 IonicContact CZ-OE2 3.07Å; R351-E355 IonicContact NE-OE1 2.96Å; R351-E355 PolarHBondContact NE-OE1 3.47Å; R351-E355 IonicContact NE-OE2 2.91Å; R351-E355 IonicContact NH2-OE1 3.68Å; R351-E355 PolarHBondContact NH2-OE1 2.99Å; R351-E355 IonicContact NH2-OE2 3.65Å; R351-E355 PolarHBondContact NH2-OE2 3.49Å; R351-E355 WeakPolarHBondContact O-CB 3.44Å; R351-E355 VanDerWaalsContact O-CG 3.24Å; R351-E355 WeakPolarHBondContact O-CG 3.34Å; R351-E355 PolarHBondContact O-N 3.44Å; V352-E355 PolarHBondContact O-N 3.09Å; E355-L358 PolarHBondContact O-N 3.17Å; E355-G359 PolarHBondContact O-N 2.81Å
356R97.2Very high96.8Very high114 Ų11494 Ų9443%0.4346%0.46SS..Hα-helixtrans-61.8-51.2175.7-164.9-17065.36513112.1V352 E353 A354 L358 G359 D360V352-R356 WeakPolarHBondContact O-CB 3.45Å; V352-R356 PolarHBondContact O-N 3.07Å; E353-R356 IonicContact OE1-CZ 2.67Å; E353-R356 IonicContact OE1-NE 3.24Å; E353-R356 IonicContact OE1-NH2 2.75Å; E353-R356 PolarHBondContact OE1-NH2 2.95Å; E353-R356 IonicContact OE2-CZ 3.09Å; E353-R356 IonicContact OE2-NE 2.72Å; E353-R356 PolarHBondContact OE2-NE 3.09Å; E353-R356 IonicContact OE2-NH2 3.5Å; A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.28Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 3.27Å; R356-G359 PolarHBondContact O-N 3.4Å; R356-G359 VanDerWaalsContact O-N 3.16Å; R356-D360 IonicContact CZ-OD2 2.65Å; R356-D360 IonicContact NH1-OD2 3.85Å; R356-D360 PolarHBondContact NH1-OD2 3.09Å; R356-D360 VanDerWaalsContact O-CG 3.24Å; R356-D360 PolarHBondContact O-N 3.35Å
357R97.4Very high96.8Very high120 Ų12094.9 Ų94.945%0.45347%0.468SS..Hα-helixtrans-60-40.9176.7-76.6-175-171.472.92112.4E353 A354 G359 D360 Y361E353-R357 VanDerWaalsContact CG-NH1 3.33Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 PolarHBondContact O-NH1 3.14Å; E353-R357 IonicContact OE1-CZ 2.72Å; E353-R357 IonicContact OE1-NH1 2.72Å; E353-R357 PolarHBondContact OE1-NH1 2.96Å; E353-R357 IonicContact OE1-NH2 2.84Å; E353-R357 PolarHBondContact OE1-NH2 3.06Å; E353-R357 VanDerWaalsContact OE1-NH2 3.15Å; A354-R357 PolarHBondContact O-N 3.07Å; R357-G359 VanDerWaalsContact C-N 3.31Å; R357-G359 PolarHBondContact O-N 3.45Å; R357-D360 PolarHBondContact O-N 2.82Å; R357-D360 VanDerWaalsContact O-N 3.16Å; R357-Y361 HydrophobicContact CB-CE2 4.42Å; R357-Y361 VanDerWaalsContact O-CD2 3.22Å; R357-Y361 WeakPolarHBondContact O-CD2 3.44Å; R357-Y361 PolarHBondContact O-N 3.38Å
358L95.8Very high96.8Very high127 Ų12794.9 Ų94.967%0.66547%0.468SS*.Hα-helixtrans-62.9-39.8176.5-173.965.7000111.4A354 E355 R356 D360 S362A354-L358 PolarHBondContact O-N 3.39Å; E355-L358 PolarHBondContact O-N 3.17Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 3.27Å; L358-D360 VanDerWaalsContact C-N 3.34Å; L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 2.95Å
359G96.4Very high96.8Very high24 Ų2497.3 Ų97.325%0.24747%0.473CS..Hα-helixtrans-65.5-33.6172.400000113.8E355 R356 R357 R363E355-G359 PolarHBondContact O-N 2.81Å; R356-G359 PolarHBondContact O-N 3.4Å; R356-G359 VanDerWaalsContact O-N 3.16Å; R357-G359 VanDerWaalsContact C-N 3.31Å; R357-G359 PolarHBondContact O-N 3.45Å; G359-R363 WeakPolarHBondContact O-CG 3.4Å; G359-R363 PolarHBondContact O-N 3.2Å
360D96.2Very high96.8Very high51 Ų5195.6 Ų95.627%0.27347%0.47SS..Hα-helixtrans-69.7-49.5175-61.1-22.2000111.2R356 R357 L358 S362 R363 E364R356-D360 IonicContact CZ-OD2 2.65Å; R356-D360 IonicContact NH1-OD2 3.85Å; R356-D360 PolarHBondContact NH1-OD2 3.09Å; R356-D360 VanDerWaalsContact O-CG 3.24Å; R356-D360 PolarHBondContact O-N 3.35Å; R357-D360 PolarHBondContact O-N 2.82Å; R357-D360 VanDerWaalsContact O-N 3.16Å; L358-D360 VanDerWaalsContact C-N 3.34Å; D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 3.49Å; D360-R363 PolarHBondContact O-N 3.36Å; D360-R363 VanDerWaalsContact O-N 3.12Å; D360-R363 IonicContact OD1-CZ 3.93Å; D360-R363 IonicContact OD1-NH1 3.69Å; D360-R363 PolarHBondContact OD1-NH1 3.17Å; D360-R363 IonicContact OD1-NH2 2.84Å; D360-R363 PolarHBondContact OD1-NH2 3.14Å; D360-E364 PolarHBondContact O-N 3.02Å
361Y97.2Very high96.8Very high151 Ų15193 Ų9359%0.59246%0.462SS*.Hα-helixtrans-61.3-33.2174.3-70.4-51.9000113R357 K365R357-Y361 HydrophobicContact CB-CE2 4.42Å; R357-Y361 VanDerWaalsContact O-CD2 3.22Å; R357-Y361 WeakPolarHBondContact O-CD2 3.44Å; R357-Y361 PolarHBondContact O-N 3.38Å; Y361-K365 WeakPolarHBondContact O-CB 3.43Å; Y361-K365 PolarHBondContact O-N 2.84Å
362S96.5Very high96.8Very high58 Ų5890.1 Ų90.141%0.40646%0.457SS..Hα-helixtrans-63.5-46.6172.8-167.40000111L358 D360 E364 K365 D366L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 2.95Å; D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 3.49Å; S362-E364 PolarHBondContact O-N 3.14Å; S362-K365 WeakPolarHBondContact O-CB 3.09Å; S362-K365 PolarHBondContact O-N 3.42Å; S362-D366 PolarHBondContact O-N 3.11Å; S362-D366 VanDerWaalsContact O-OD2 3.11Å
363R96.5Very high96.7Very high145 Ų14590.5 Ų90.555%0.54746%0.456SS..Hα-helixtrans-64.5-39.7177.4-73.2-177.5-117101.16.5112.1G359 D360 D366 T367G359-R363 WeakPolarHBondContact O-CG 3.4Å; G359-R363 PolarHBondContact O-N 3.2Å; D360-R363 PolarHBondContact O-N 3.36Å; D360-R363 VanDerWaalsContact O-N 3.12Å; D360-R363 IonicContact OD1-CZ 3.93Å; D360-R363 IonicContact OD1-NH1 3.69Å; D360-R363 PolarHBondContact OD1-NH1 3.17Å; D360-R363 IonicContact OD1-NH2 2.84Å; D360-R363 PolarHBondContact OD1-NH2 3.14Å; R363-D366 PolarHBondContact O-N 3.48Å; R363-T367 WeakPolarHBondContact O-CG2 3.42Å; R363-T367 PolarHBondContact O-N 2.89Å; R363-T367 PolarHBondContact O-OG1 3.35Å
364E96.8Very high96.8Very high104 Ų10493.9 Ų93.949%0.48647%0.472SS..Hα-helixtrans-59.1-50.8173.3-175.2177.2-167.200110.8D360 S362 D366 T367 L368D360-E364 PolarHBondContact O-N 3.02Å; S362-E364 PolarHBondContact O-N 3.14Å; E364-D366 VanDerWaalsContact C-N 3.34Å; E364-D366 PolarHBondContact O-N 3.28Å; E364-T367 PolarHBondContact O-N 2.78Å; E364-T367 PolarHBondContact O-OG1 3.3Å; E364-L368 HydrophobicContact CG-CD1 4.07Å; E364-L368 WeakPolarHBondContact O-CG 3.5Å; E364-L368 PolarHBondContact O-N 3.26Å
365K97.5Very high96.8Very high106 Ų10695.8 Ų95.846%0.46147%0.474SS..Hα-helixtrans-54.7-47174.1178.9-177.8176.1-73.80112.1Y361 S362 T367 L368 E369Y361-K365 WeakPolarHBondContact O-CB 3.43Å; Y361-K365 PolarHBondContact O-N 2.84Å; S362-K365 WeakPolarHBondContact O-CB 3.09Å; S362-K365 PolarHBondContact O-N 3.42Å; K365-T367 VanDerWaalsContact C-N 3.33Å; K365-T367 PolarHBondContact O-N 3.31Å; K365-L368 PolarHBondContact O-N 3.28Å; K365-E369 WeakPolarHBondContact CE-OE1 3.1Å; K365-E369 VanDerWaalsContact NZ-CD 3.33Å; K365-E369 IonicContact NZ-OE1 2.94Å; K365-E369 PolarHBondContact NZ-OE1 2.77Å; K365-E369 IonicContact NZ-OE2 3.13Å; K365-E369 PolarHBondContact O-N 2.69Å
366D97.2Very high96.8Very high85 Ų8596.5 Ų96.546%0.45548%0.475SS..Hα-helixtrans-62.7-39.6-179.9-62-28.1000111.3S362 R363 E364 S370S362-D366 PolarHBondContact O-N 3.11Å; S362-D366 VanDerWaalsContact O-OD2 3.11Å; R363-D366 PolarHBondContact O-N 3.48Å; E364-D366 VanDerWaalsContact C-N 3.34Å; E364-D366 PolarHBondContact O-N 3.28Å; D366-S370 WeakPolarHBondContact O-CB 3.28Å; D366-S370 PolarHBondContact O-N 3.47Å
367T96.7Very high96.8Very high83 Ų8394.1 Ų94.151%0.50948%0.476SS..Hα-helixtrans-68-39.8174580000112.9R363 E364 K365 S370 V371R363-T367 WeakPolarHBondContact O-CG2 3.42Å; R363-T367 PolarHBondContact O-N 2.89Å; R363-T367 PolarHBondContact O-OG1 3.35Å; E364-T367 PolarHBondContact O-N 2.78Å; E364-T367 PolarHBondContact O-OG1 3.3Å; K365-T367 VanDerWaalsContact C-N 3.33Å; K365-T367 PolarHBondContact O-N 3.31Å; T367-S370 WeakPolarHBondContact O-CB 3.24Å; T367-S370 PolarHBondContact O-N 3.48Å; T367-V371 WeakPolarHBondContact O-CG2 3.33Å; T367-V371 PolarHBondContact O-N 3.41Å
368L97Very high96.7Very high106 Ų10692.8 Ų92.856%0.55548%0.475SS*.Hα-helixtrans-67.2-38.8176.3-70.9172.2000111.9E364 K365 L372E364-L368 HydrophobicContact CG-CD1 4.07Å; E364-L368 WeakPolarHBondContact O-CG 3.5Å; E364-L368 PolarHBondContact O-N 3.26Å; K365-L368 PolarHBondContact O-N 3.28Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 PolarHBondContact O-N 2.92Å
369E97Very high96.7Very high90 Ų9090.8 Ų90.842%0.42147%0.468SS..Hα-helixtrans-66.6-36.7173-75.4-174.6-172.300111.7K365 N373K365-E369 WeakPolarHBondContact CE-OE1 3.1Å; K365-E369 VanDerWaalsContact NZ-CD 3.33Å; K365-E369 IonicContact NZ-OE1 2.94Å; K365-E369 PolarHBondContact NZ-OE1 2.77Å; K365-E369 IonicContact NZ-OE2 3.13Å; K365-E369 PolarHBondContact O-N 2.69Å; E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 PolarHBondContact O-N 2.87Å; E369-N373 PolarHBondContact O-ND2 3.19Å
370S96.6Very high96.6Very high76 Ų7696 Ų9653%0.53149%0.487SS..Hα-helixtrans-62-54172.9-170.30000111.9D366 T367 L372 N373 E374D366-S370 WeakPolarHBondContact O-CB 3.28Å; D366-S370 PolarHBondContact O-N 3.47Å; T367-S370 WeakPolarHBondContact O-CB 3.24Å; T367-S370 PolarHBondContact O-N 3.48Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 3.47Å; S370-N373 PolarHBondContact O-N 3.25Å; S370-N373 VanDerWaalsContact O-N 3.11Å; S370-E374 PolarHBondContact O-N 3.3Å
371V97.5Very high96.6Very high71 Ų7197.3 Ų97.343%0.4349%0.494SS..Hα-helixtrans-61.8-39.3178.5171.20000111.3T367 N373 E374 I375T367-V371 WeakPolarHBondContact O-CG2 3.33Å; T367-V371 PolarHBondContact O-N 3.41Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 2.94Å; V371-E374 PolarHBondContact O-N 2.93Å; V371-I375 HydrophobicContact CG1-CD1 3.73Å; V371-I375 HydrophobicContact CG1-CG1 4.33Å; V371-I375 WeakPolarHBondContact O-CB 3.3Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.23Å; V371-I375 PolarHBondContact O-N 3.41Å
372L96.4Very high96.5Very high86 Ų8693.3 Ų93.345%0.4548%0.481SS..Hα-helixtrans-62.6-36.8175.1177.262000112.1L368 S370 K376L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 PolarHBondContact O-N 2.92Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 3.47Å; L372-K376 HydrophobicContact CG-CD 4.44Å; L372-K376 WeakPolarHBondContact O-CB 3.44Å; L372-K376 WeakPolarHBondContact O-CD 3.13Å; L372-K376 WeakPolarHBondContact O-CG 3.4Å; L372-K376 PolarHBondContact O-N 3.11Å
373N96.4Very high96.5Very high90 Ų9099.5 Ų99.548%0.48150%0.495SS..Hα-helixtrans-75.8-34.6177.3-69.1-27.2000112.4E369 S370 V371 K376 S377E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 PolarHBondContact O-N 2.87Å; E369-N373 PolarHBondContact O-ND2 3.19Å; S370-N373 PolarHBondContact O-N 3.25Å; S370-N373 VanDerWaalsContact O-N 3.11Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 2.94Å; N373-K376 PolarHBondContact O-N 2.96Å; N373-K376 PolarHBondContact OD1-NZ 3.41Å; N373-K376 VanDerWaalsContact OD1-NZ 3.08Å; N373-S377 PolarHBondContact O-N 2.74Å
374E96.5Very high96.6Very high135 Ų13598.1 Ų98.163%0.63150%0.495SS*.Hα-helixtrans-62.7-49.5170.4-176.2170.4-162.400111.5S370 V371 K376 S377 H378S370-E374 PolarHBondContact O-N 3.3Å; V371-E374 PolarHBondContact O-N 2.93Å; E374-K376 PolarHBondContact O-N 3.29Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 2.99Å; E374-S377 VanDerWaalsContact O-N 3.09Å; E374-H378 PolarHBondContact O-N 3.49Å
375I96.9Very high96.6Very high94 Ų9498.2 Ų98.248%0.48249%0.494SS..Hα-helixtrans-60.4-42.6176.1-68.6169.9000111.1V371 S377 H378 V379V371-I375 HydrophobicContact CG1-CD1 3.73Å; V371-I375 HydrophobicContact CG1-CG1 4.33Å; V371-I375 WeakPolarHBondContact O-CB 3.3Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.23Å; V371-I375 PolarHBondContact O-N 3.41Å; I375-S377 VanDerWaalsContact C-N 3.32Å; I375-S377 PolarHBondContact O-N 2.86Å; I375-H378 PolarHBondContact O-N 3.39Å; I375-V379 HydrophobicContact CG2-CG2 4.27Å; I375-V379 WeakPolarHBondContact O-CB 3.43Å; I375-V379 VanDerWaalsContact O-CG2 3.3Å; I375-V379 WeakPolarHBondContact O-CG2 3.39Å; I375-V379 PolarHBondContact O-N 2.88Å
376K97.6Very high96.5Very high110 Ų11096 Ų9648%0.47849%0.49SS..Hα-helixtrans-58.8-42.3173.5-76.3166.4-168.41590112L372 N373 E374 M380L372-K376 HydrophobicContact CG-CD 4.44Å; L372-K376 WeakPolarHBondContact O-CB 3.44Å; L372-K376 WeakPolarHBondContact O-CD 3.13Å; L372-K376 WeakPolarHBondContact O-CG 3.4Å; L372-K376 PolarHBondContact O-N 3.11Å; N373-K376 PolarHBondContact O-N 2.96Å; N373-K376 PolarHBondContact OD1-NZ 3.41Å; N373-K376 VanDerWaalsContact OD1-NZ 3.08Å; E374-K376 PolarHBondContact O-N 3.29Å; K376-M380 WeakPolarHBondContact O-CB 3.34Å; K376-M380 PolarHBondContact O-N 3.02Å
377S95.6Very high96.4Very high64 Ų6496.8 Ų96.845%0.44849%0.49SS..Hα-helixtrans-66-45.9177.3-173.30000111.4N373 E374 I375 V379 M380 N381N373-S377 PolarHBondContact O-N 2.74Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 2.99Å; E374-S377 VanDerWaalsContact O-N 3.09Å; I375-S377 VanDerWaalsContact C-N 3.32Å; I375-S377 PolarHBondContact O-N 2.86Å; S377-V379 PolarHBondContact O-N 3.06Å; S377-M380 WeakPolarHBondContact O-CB 3.36Å; S377-M380 PolarHBondContact O-N 3.08Å; S377-N381 PolarHBondContact O-N 2.74Å; S377-N381 PolarHBondContact O-ND2 2.76Å
378H96Very high96.4Very high93 Ų9396.4 Ų96.443%0.43148%0.483SS..Hα-helixtrans-59.2-48.6176.2-174.584.8000111.8E374 I375 M380 N381 E382E374-H378 PolarHBondContact O-N 3.49Å; I375-H378 PolarHBondContact O-N 3.39Å; H378-M380 VanDerWaalsContact C-N 3.29Å; H378-M380 PolarHBondContact O-N 2.91Å; H378-N381 PolarHBondContact O-N 2.85Å; H378-N381 VanDerWaalsContact O-N 3.16Å; H378-E382 IonicContact CE1-OE1 2.77Å; H378-E382 PolarHBondContact O-N 2.89Å
379V96.2Very high96.3Very high84 Ų8496.2 Ų96.251%0.50948%0.48SS..Hα-helixtrans-62.6-33.7176.8170.70000112.2I375 S377 R383I375-V379 HydrophobicContact CG2-CG2 4.27Å; I375-V379 WeakPolarHBondContact O-CB 3.43Å; I375-V379 VanDerWaalsContact O-CG2 3.3Å; I375-V379 WeakPolarHBondContact O-CG2 3.39Å; I375-V379 PolarHBondContact O-N 2.88Å; S377-V379 PolarHBondContact O-N 3.06Å; V379-R383 WeakPolarHBondContact O-CB 3.32Å; V379-R383 PolarHBondContact O-N 2.86Å
380M95Very high96.3Very high134 Ų13499.4 Ų99.466%0.6649%0.489SS*.Hα-helixtrans-68.1-43.9173.2-173.3176.5-68.300111.7K376 S377 H378 R383 Q384K376-M380 WeakPolarHBondContact O-CB 3.34Å; K376-M380 PolarHBondContact O-N 3.02Å; S377-M380 WeakPolarHBondContact O-CB 3.36Å; S377-M380 PolarHBondContact O-N 3.08Å; H378-M380 VanDerWaalsContact C-N 3.29Å; H378-M380 PolarHBondContact O-N 2.91Å; M380-R383 PolarHBondContact O-N 3.12Å; M380-Q384 PolarHBondContact O-N 3.22Å
381N96Very high96.3Very high78 Ų78100.3 Ų100.342%0.41749%0.487SS..Hα-helixtrans-65.2-44.6178.4-66.7-28.4000111.9S377 H378 Q384 K385S377-N381 PolarHBondContact O-N 2.74Å; S377-N381 PolarHBondContact O-ND2 2.76Å; H378-N381 PolarHBondContact O-N 2.85Å; H378-N381 VanDerWaalsContact O-N 3.16Å; N381-Q384 PolarHBondContact O-N 2.95Å; N381-K385 WeakPolarHBondContact O-CG 3.16Å; N381-K385 PolarHBondContact O-N 2.86Å
382E94.7Very high96.3Very high67 Ų67102.7 Ų102.731%0.31349%0.491SS..Hα-helixtrans-66.3-37.1174.8-66.4-47.912900112H378 Q384 K385 V386H378-E382 IonicContact CE1-OE1 2.77Å; H378-E382 PolarHBondContact O-N 2.89Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 2.65Å; E382-K385 PolarHBondContact O-N 3.01Å; E382-K385 WeakPolarHBondContact OE1-CE 3.48Å; E382-K385 IonicContact OE1-NZ 2.72Å; E382-K385 PolarHBondContact OE1-NZ 2.94Å; E382-K385 VanDerWaalsContact OE2-CD 3.3Å; E382-K385 WeakPolarHBondContact OE2-CD 3.47Å; E382-K385 IonicContact OE2-NZ 3.17Å; E382-V386 WeakPolarHBondContact O-CB 3.36Å; E382-V386 VanDerWaalsContact O-CG2 3.31Å; E382-V386 WeakPolarHBondContact O-CG2 3.41Å; E382-V386 PolarHBondContact O-N 3.29Å
383R97.2Very high96.2Very high188 Ų188103.4 Ų103.471%0.70949%0.494SS*.Hα-helixtrans-60.3-41.2171.3176.2173.9-72.8-881.7111.8V379 M380 V386 E387V379-R383 WeakPolarHBondContact O-CB 3.32Å; V379-R383 PolarHBondContact O-N 2.86Å; M380-R383 PolarHBondContact O-N 3.12Å; R383-V386 PolarHBondContact O-N 3.49Å; R383-E387 PolarHBondContact O-N 2.94Å
384Q97.2Very high96.1Very high117 Ų117104.1 Ų104.155%0.54750%0.498SS..Hα-helixtrans-63.6-48.7174.8-175.5-174.8-40.200111.3M380 N381 E382 V386 E387 E388M380-Q384 PolarHBondContact O-N 3.22Å; N381-Q384 PolarHBondContact O-N 2.95Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 2.65Å; Q384-V386 VanDerWaalsContact C-N 3.29Å; Q384-V386 PolarHBondContact O-N 2.82Å; Q384-E387 PolarHBondContact O-N 3.28Å; Q384-E387 VanDerWaalsContact O-N 3.09Å; Q384-E388 HydrophobicContact CG-CG 4.48Å; Q384-E388 PolarHBondContact NE2-OE1 3.24Å; Q384-E388 PolarHBondContact O-N 3.42Å
385K96.4Very high96.1Very high105 Ų105101.4 Ų101.446%0.45749%0.493SS..Hα-helixtrans-56.3-43.6176.9-70.8169.1179.1176.90111.9N381 E382 E388 M389N381-K385 WeakPolarHBondContact O-CG 3.16Å; N381-K385 PolarHBondContact O-N 2.86Å; E382-K385 PolarHBondContact O-N 3.01Å; E382-K385 WeakPolarHBondContact OE1-CE 3.48Å; E382-K385 IonicContact OE1-NZ 2.72Å; E382-K385 PolarHBondContact OE1-NZ 2.94Å; E382-K385 VanDerWaalsContact OE2-CD 3.3Å; E382-K385 WeakPolarHBondContact OE2-CD 3.47Å; E382-K385 IonicContact OE2-NZ 3.17Å; K385-E388 PolarHBondContact O-N 3.41Å; K385-M389 WeakPolarHBondContact O-CG 3.31Å; K385-M389 PolarHBondContact O-N 2.88Å
386V95.7Very high96Very high61 Ų61103.3 Ų103.337%0.3750%0.5SS..Hα-helixtrans-62.8-41.5176.1166.20000111.5E382 R383 Q384 M389 R390E382-V386 WeakPolarHBondContact O-CB 3.36Å; E382-V386 VanDerWaalsContact O-CG2 3.31Å; E382-V386 WeakPolarHBondContact O-CG2 3.41Å; E382-V386 PolarHBondContact O-N 3.29Å; R383-V386 PolarHBondContact O-N 3.49Å; Q384-V386 VanDerWaalsContact C-N 3.29Å; Q384-V386 PolarHBondContact O-N 2.82Å; V386-M389 HydrophobicContact CG2-CE 4.3Å; V386-M389 PolarHBondContact O-N 3.1Å; V386-R390 VanDerWaalsContact O-CG 3.29Å; V386-R390 WeakPolarHBondContact O-CG 3.46Å; V386-R390 PolarHBondContact O-N 3.09Å
387E95.5Very high95.8Very high100 Ų100104.1 Ų104.147%0.46751%0.505SS..Hα-helixtrans-69.5-41.6177.7-166.355.4-144.500112.2R383 Q384 M389 R390 I391R383-E387 PolarHBondContact O-N 2.94Å; Q384-E387 PolarHBondContact O-N 3.28Å; Q384-E387 VanDerWaalsContact O-N 3.09Å; E387-M389 VanDerWaalsContact C-N 3.28Å; E387-M389 PolarHBondContact O-N 2.86Å; E387-R390 WeakPolarHBondContact O-CB 3.29Å; E387-R390 PolarHBondContact O-N 3.32Å; E387-R390 VanDerWaalsContact O-N 3.12Å; E387-R390 WeakPolarHBondContact OE2-CD 3.32Å; E387-I391 HydrophobicContact CG-CD1 4.28Å; E387-I391 WeakPolarHBondContact O-CG1 3.36Å; E387-I391 PolarHBondContact O-N 2.85Å
388E96.3Very high95.8Very high75 Ų75103.7 Ų103.735%0.3551%0.506SS..Hα-helixtrans-58.8-39.7171.8-75.1-175.2-145.800112.3Q384 K385 K392Q384-E388 HydrophobicContact CG-CG 4.48Å; Q384-E388 PolarHBondContact NE2-OE1 3.24Å; Q384-E388 PolarHBondContact O-N 3.42Å; K385-E388 PolarHBondContact O-N 3.41Å; E388-K392 WeakPolarHBondContact O-CB 3.39Å; E388-K392 VanDerWaalsContact O-CD 3.27Å; E388-K392 WeakPolarHBondContact O-CD 3.46Å; E388-K392 WeakPolarHBondContact O-CG 3.37Å; E388-K392 PolarHBondContact O-N 2.86Å; E388-K392 IonicContact OE2-NZ 2.77Å; E388-K392 PolarHBondContact OE2-NZ 3.47Å
389M95.9Very high95.7Very high102 Ų102102.2 Ų102.250%0.50251%0.506SS..Hα-helixtrans-67.4-39.5174-73.9-172-69.900112K385 V386 E387 K392 I393K385-M389 WeakPolarHBondContact O-CG 3.31Å; K385-M389 PolarHBondContact O-N 2.88Å; V386-M389 HydrophobicContact CG2-CE 4.3Å; V386-M389 PolarHBondContact O-N 3.1Å; E387-M389 VanDerWaalsContact C-N 3.28Å; E387-M389 PolarHBondContact O-N 2.86Å; M389-K392 PolarHBondContact O-N 3.31Å; M389-I393 WeakPolarHBondContact O-CB 3.34Å; M389-I393 VanDerWaalsContact O-CG1 3.24Å; M389-I393 WeakPolarHBondContact O-CG1 3.49Å; M389-I393 PolarHBondContact O-N 3.09Å
390R96.7Very high95.6Very high158 Ų158100.6 Ų100.660%0.59650%0.497SS*.Hα-helixtrans-60.7-44.7173.8-74.3168.9-176.1-76.2-4.7111.8V386 E387 I393 N394V386-R390 VanDerWaalsContact O-CG 3.29Å; V386-R390 WeakPolarHBondContact O-CG 3.46Å; V386-R390 PolarHBondContact O-N 3.09Å; E387-R390 WeakPolarHBondContact O-CB 3.29Å; E387-R390 PolarHBondContact O-N 3.32Å; E387-R390 VanDerWaalsContact O-N 3.12Å; E387-R390 WeakPolarHBondContact OE2-CD 3.32Å; R390-I393 PolarHBondContact O-N 2.89Å; R390-N394 VanDerWaalsContact O-CB 3.31Å; R390-N394 WeakPolarHBondContact O-CB 3.43Å; R390-N394 PolarHBondContact O-N 2.81Å
391I96.4Very high95.6Very high95 Ų95100.2 Ų100.249%0.48749%0.491SS..Hα-helixtrans-62.3-48.1176-66.5165.7000110.3E387 I393 N394 C395E387-I391 HydrophobicContact CG-CD1 4.28Å; E387-I391 WeakPolarHBondContact O-CG1 3.36Å; E387-I391 PolarHBondContact O-N 2.85Å; I391-I393 PolarHBondContact O-N 3.49Å; I391-N394 PolarHBondContact O-N 2.68Å; I391-C395 WeakPolarHBondContact O-CB 3.32Å; I391-C395 PolarHBondContact O-N 3.09Å; I391-C395 PolarHBondContact O-SG 3.04Å; I391-C395 VanDerWaalsContact O-SG 3.33Å
392K96.6Very high95.5Very high121 Ų12199.8 Ų99.853%0.52649%0.494SS..Hα-helixtrans-57.9-45.9177.2-71.9159.4-168.2159.50111.8E388 M389 C395 Q396E388-K392 WeakPolarHBondContact O-CB 3.39Å; E388-K392 VanDerWaalsContact O-CD 3.27Å; E388-K392 WeakPolarHBondContact O-CD 3.46Å; E388-K392 WeakPolarHBondContact O-CG 3.37Å; E388-K392 PolarHBondContact O-N 2.86Å; E388-K392 IonicContact OE2-NZ 2.77Å; E388-K392 PolarHBondContact OE2-NZ 3.47Å; M389-K392 PolarHBondContact O-N 3.31Å; K392-C395 PolarHBondContact O-N 2.93Å; K392-Q396 WeakPolarHBondContact O-CB 3.14Å; K392-Q396 PolarHBondContact O-N 3.17Å
393I95.4Very high95.5Very high100 Ų100101.3 Ų101.351%0.51350%0.501SS..Hα-helixtrans-63.4-44.7176.4-69.7165.2000111.2M389 R390 I391 Q396 Q397M389-I393 WeakPolarHBondContact O-CB 3.34Å; M389-I393 VanDerWaalsContact O-CG1 3.24Å; M389-I393 WeakPolarHBondContact O-CG1 3.49Å; M389-I393 PolarHBondContact O-N 3.09Å; R390-I393 PolarHBondContact O-N 2.89Å; I391-I393 PolarHBondContact O-N 3.49Å; I393-Q396 PolarHBondContact O-N 3.28Å; I393-Q397 WeakPolarHBondContact O-CB 3.26Å; I393-Q397 PolarHBondContact O-N 3.44Å
394N95.3Very high95.5Very high105 Ų10599.4 Ų99.456%0.56150%0.498SS*.Hα-helixtrans-63.7-43.2178.9-173.632.9000112R390 I391 Q396 Q397 A398R390-N394 VanDerWaalsContact O-CB 3.31Å; R390-N394 WeakPolarHBondContact O-CB 3.43Å; R390-N394 PolarHBondContact O-N 2.81Å; I391-N394 PolarHBondContact O-N 2.68Å; N394-Q396 VanDerWaalsContact C-N 3.34Å; N394-Q396 PolarHBondContact O-N 2.95Å; N394-Q397 PolarHBondContact O-N 3.38Å; N394-A398 WeakPolarHBondContact O-CB 3.46Å; N394-A398 PolarHBondContact O-N 2.87Å
395C94.4Very high95.4Very high79 Ų7998.7 Ų98.753%0.53450%0.495SS..Hα-helixtrans-61.3-41.4173.5-69.10000112I391 K392 A398 S399I391-C395 WeakPolarHBondContact O-CB 3.32Å; I391-C395 PolarHBondContact O-N 3.09Å; I391-C395 PolarHBondContact O-SG 3.04Å; I391-C395 VanDerWaalsContact O-SG 3.33Å; K392-C395 PolarHBondContact O-N 2.93Å; C395-A398 PolarHBondContact O-N 3.42Å; C395-S399 WeakPolarHBondContact O-CB 3.31Å; C395-S399 PolarHBondContact O-N 3.3Å
396Q95Very high95.3Very high133 Ų13399.3 Ų99.362%0.62150%0.499SS*.Hα-helixtrans-67.5-37.3175.6-170.1176.710.300112.2K392 I393 N394 T400K392-Q396 WeakPolarHBondContact O-CB 3.14Å; K392-Q396 PolarHBondContact O-N 3.17Å; I393-Q396 PolarHBondContact O-N 3.28Å; N394-Q396 VanDerWaalsContact C-N 3.34Å; N394-Q396 PolarHBondContact O-N 2.95Å; Q396-T400 WeakPolarHBondContact O-CB 3.37Å; Q396-T400 WeakPolarHBondContact O-CG2 3.41Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.89Å
397Q95.2Very high95.3Very high127 Ų127100.3 Ų100.359%0.59350%0.502SS*.Hα-helixtrans-67.9-40.6175.6-176.2171.9-14.700111.7I393 N394 T400 K401I393-Q397 WeakPolarHBondContact O-CB 3.26Å; I393-Q397 PolarHBondContact O-N 3.44Å; N394-Q397 PolarHBondContact O-N 3.38Å; Q397-T400 PolarHBondContact O-OG1 3.49Å; Q397-K401 VanDerWaalsContact O-CB 3.22Å; Q397-K401 WeakPolarHBondContact O-CB 3.29Å; Q397-K401 PolarHBondContact O-N 3.34Å
398A94.8Very high95.3Very high56 Ų5697.7 Ų97.746%0.46350%0.497SS..Hα-helixtrans-64.8-45.4173.500000111.9N394 C395 K401 S402N394-A398 WeakPolarHBondContact O-CB 3.46Å; N394-A398 PolarHBondContact O-N 2.87Å; C395-A398 PolarHBondContact O-N 3.42Å; A398-K401 PolarHBondContact O-N 2.91Å; A398-S402 PolarHBondContact O-N 3.17Å
399S93.8Very high95.3Very high61 Ų6198.1 Ų98.143%0.42751%0.508SS..Hα-helixtrans-61.9-48.7176.7177.80000112C395 K401 S402 Q403C395-S399 WeakPolarHBondContact O-CB 3.31Å; C395-S399 PolarHBondContact O-N 3.3Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 3.12Å; S399-S402 PolarHBondContact O-N 2.83Å; S399-Q403 WeakPolarHBondContact O-CG 3.42Å; S399-Q403 PolarHBondContact O-N 3.24Å
400T93.7Very high95.2Very high51 Ų5197.8 Ų97.831%0.31351%0.507SS..Hα-helixtrans-70.6-23.7178.254.70000113.4Q396 Q397 K404Q396-T400 WeakPolarHBondContact O-CB 3.37Å; Q396-T400 WeakPolarHBondContact O-CG2 3.41Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.89Å; Q397-T400 PolarHBondContact O-OG1 3.49Å; T400-K404 WeakPolarHBondContact O-CD 3.16Å; T400-K404 WeakPolarHBondContact O-CG 3.39Å; T400-K404 PolarHBondContact O-N 3.14Å
401K95.8Very high95.2Very high126 Ų12698.2 Ų98.255%0.54851%0.509SS..Hα-helixtrans-68.2-50.8167.3177.1176.2169.5178.40110.8Q397 A398 S399 Q403 K404 E405Q397-K401 VanDerWaalsContact O-CB 3.22Å; Q397-K401 WeakPolarHBondContact O-CB 3.29Å; Q397-K401 PolarHBondContact O-N 3.34Å; A398-K401 PolarHBondContact O-N 2.91Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 3.12Å; K401-Q403 VanDerWaalsContact C-N 3.33Å; K401-Q403 PolarHBondContact O-N 3.39Å; K401-K404 WeakPolarHBondContact O-CB 3.22Å; K401-K404 PolarHBondContact O-N 3.49Å; K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 IonicContact NZ-OE1 3.53Å; K401-E405 WeakPolarHBondContact O-CG 3.44Å; K401-E405 PolarHBondContact O-N 3.34Å
402S94.1Very high95.2Very high68 Ų6898.7 Ų98.748%0.47651%0.513SS..Hα-helixtrans-58.2-42.7178.3176.50000112.1A398 S399 K404 E405 E406A398-S402 PolarHBondContact O-N 3.17Å; S399-S402 PolarHBondContact O-N 2.83Å; S402-K404 VanDerWaalsContact C-N 3.34Å; S402-K404 PolarHBondContact O-N 3.03Å; S402-E405 PolarHBondContact O-N 2.88Å; S402-E406 PolarHBondContact O-N 3.39Å
403Q94.9Very high95.2Very high99 Ų9998.4 Ų98.446%0.46351%0.513SS..Hα-helixtrans-62.6-36.2173.7-72.3173.9-21.200113.2S399 K401 I407S399-Q403 WeakPolarHBondContact O-CG 3.42Å; S399-Q403 PolarHBondContact O-N 3.24Å; K401-Q403 VanDerWaalsContact C-N 3.33Å; K401-Q403 PolarHBondContact O-N 3.39Å; Q403-I407 WeakPolarHBondContact O-CB 3.29Å; Q403-I407 WeakPolarHBondContact O-CD1 3.36Å; Q403-I407 WeakPolarHBondContact O-CG1 3.27Å; Q403-I407 PolarHBondContact O-N 3.16Å
404K95.6Very high95.2Very high149 Ų14998.3 Ų98.365%0.64851%0.513SS*.Hα-helixtrans-68.8-36.4174.4-75.9167.7-177.3175.80112T400 K401 S402 A408T400-K404 WeakPolarHBondContact O-CD 3.16Å; T400-K404 WeakPolarHBondContact O-CG 3.39Å; T400-K404 PolarHBondContact O-N 3.14Å; K401-K404 WeakPolarHBondContact O-CB 3.22Å; K401-K404 PolarHBondContact O-N 3.49Å; S402-K404 VanDerWaalsContact C-N 3.34Å; S402-K404 PolarHBondContact O-N 3.03Å; K404-A408 WeakPolarHBondContact O-CB 3.39Å; K404-A408 PolarHBondContact O-N 2.94Å
405E95.7Very high95.1Very high101 Ų10197.3 Ų97.347%0.47251%0.508SS..Hα-helixtrans-68.5-43.5176.3-70.8168.5164.400110.9K401 S402 A408 C409K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 IonicContact NZ-OE1 3.53Å; K401-E405 WeakPolarHBondContact O-CG 3.44Å; K401-E405 PolarHBondContact O-N 3.34Å; S402-E405 PolarHBondContact O-N 2.88Å; E405-A408 WeakPolarHBondContact O-CB 3.38Å; E405-A408 PolarHBondContact O-N 2.93Å; E405-A408 VanDerWaalsContact O-N 3.15Å; E405-C409 PolarHBondContact O-N 3.28Å; E405-C409 PolarHBondContact O-SG 2.93Å; E405-C409 VanDerWaalsContact O-SG 3.4Å
406E95.4Very high95.2Very high119 Ų11998.4 Ų98.456%0.55651%0.505SS*.Hα-helixtrans-58.4-48.8171.7-176.6-179.7-164.900112S402 A408 C409 L410S402-E406 PolarHBondContact O-N 3.39Å; E406-A408 VanDerWaalsContact C-N 3.26Å; E406-A408 PolarHBondContact O-N 3.41Å; E406-C409 PolarHBondContact O-N 2.88Å; E406-L410 HydrophobicContact CG-CD1 4.24Å; E406-L410 WeakPolarHBondContact O-CG 3.46Å; E406-L410 PolarHBondContact O-N 3.37Å
407I95.2Very high95.2Very high82 Ų8296.5 Ų96.542%0.42150%0.498SS..Hα-helixtrans-62.1-32.9175.5-70.6166000111.6Q403 R411Q403-I407 WeakPolarHBondContact O-CB 3.29Å; Q403-I407 WeakPolarHBondContact O-CD1 3.36Å; Q403-I407 WeakPolarHBondContact O-CG1 3.27Å; Q403-I407 PolarHBondContact O-N 3.16Å; I407-R411 WeakPolarHBondContact O-CB 3.24Å; I407-R411 WeakPolarHBondContact O-CD 3.38Å; I407-R411 WeakPolarHBondContact O-CG 3.43Å; I407-R411 PolarHBondContact O-N 3.32Å
408A95.8Very high95.3Very high45 Ų4594.7 Ų94.737%0.37249%0.492SS..Hα-helixtrans-70.7-41.8175.200000111.9K404 E405 E406 R411 N412K404-A408 WeakPolarHBondContact O-CB 3.39Å; K404-A408 PolarHBondContact O-N 2.94Å; E405-A408 WeakPolarHBondContact O-CB 3.38Å; E405-A408 PolarHBondContact O-N 2.93Å; E405-A408 VanDerWaalsContact O-N 3.15Å; E406-A408 VanDerWaalsContact C-N 3.26Å; E406-A408 PolarHBondContact O-N 3.41Å; A408-R411 PolarHBondContact O-N 3.39Å; A408-N412 VanDerWaalsContact O-CG 3.26Å; A408-N412 PolarHBondContact O-N 2.63Å; A408-N412 PolarHBondContact O-ND2 3.25Å
409C94.7Very high95.3Very high84 Ų8497.8 Ų97.857%0.56849%0.492SS*.Hα-helixtrans-59.4-51.1173.2-70.30000111.6E405 E406 R411 N412 E413E405-C409 PolarHBondContact O-N 3.28Å; E405-C409 PolarHBondContact O-SG 2.93Å; E405-C409 VanDerWaalsContact O-SG 3.4Å; E406-C409 PolarHBondContact O-N 2.88Å; C409-R411 VanDerWaalsContact C-N 3.28Å; C409-R411 PolarHBondContact O-N 3.5Å; C409-N412 WeakPolarHBondContact O-CB 3.36Å; C409-N412 PolarHBondContact O-N 3Å; C409-E413 PolarHBondContact O-N 3.38Å
410L95.8Very high95.4Very high95 Ų95100 Ų10050%0.49750%0.495SS..Hα-helixtrans-62.6-32.4178.6-68.3170.8000112.9E406 L414E406-L410 HydrophobicContact CG-CD1 4.24Å; E406-L410 WeakPolarHBondContact O-CG 3.46Å; E406-L410 PolarHBondContact O-N 3.37Å; L410-L414 WeakPolarHBondContact O-CB 3.4Å; L410-L414 PolarHBondContact O-N 3.17Å
411R96.3Very high95.4Very high166 Ų166102.8 Ų102.863%0.62651%0.505SS*.Hα-helixtrans-68.8-38.4171.9-77.5169.2179.9-1660.3112.5I407 A408 C409 N415I407-R411 WeakPolarHBondContact O-CB 3.24Å; I407-R411 WeakPolarHBondContact O-CD 3.38Å; I407-R411 WeakPolarHBondContact O-CG 3.43Å; I407-R411 PolarHBondContact O-N 3.32Å; A408-R411 PolarHBondContact O-N 3.39Å; C409-R411 VanDerWaalsContact C-N 3.28Å; C409-R411 PolarHBondContact O-N 3.5Å; R411-N415 WeakPolarHBondContact O-CB 3.41Å; R411-N415 PolarHBondContact O-N 3.46Å; R411-N415 PolarHBondContact O-ND2 3.37Å; R411-N415 VanDerWaalsContact O-ND2 3.09Å
412N95.2Very high95.4Very high106 Ų10699.4 Ų99.457%0.56750%0.5SS*.Hα-helixtrans-68.8-40.2176.9-69.5-18.5000111.2A408 C409 N415 E416A408-N412 VanDerWaalsContact O-CG 3.26Å; A408-N412 PolarHBondContact O-N 2.63Å; A408-N412 PolarHBondContact O-ND2 3.25Å; C409-N412 WeakPolarHBondContact O-CB 3.36Å; C409-N412 PolarHBondContact O-N 3Å; N412-N415 CarbonylContact O-C 3.35Å; N412-N415 PolarHBondContact O-N 3.05Å; N412-E416 PolarHBondContact O-N 3.15Å
413E96.5Very high95.5Very high114 Ų114101.7 Ų101.753%0.53351%0.505SS..Hα-helixtrans-62.2-46.2172.7-174.9174.6-168.700111.7C409 N415 E416 L417C409-E413 PolarHBondContact O-N 3.38Å; E413-N415 VanDerWaalsContact C-N 3.3Å; E413-N415 PolarHBondContact O-N 2.89Å; E413-E416 WeakPolarHBondContact O-CA 3.4Å; E413-E416 WeakPolarHBondContact O-CB 3.28Å; E413-E416 PolarHBondContact O-N 2.9Å; E413-L417 HydrophobicContact CG-CD1 4.43Å; E413-L417 WeakPolarHBondContact O-CG 3.49Å; E413-L417 PolarHBondContact O-N 2.97Å
414L95.3Very high95.6Very high98 Ų98100.9 Ų100.951%0.51350%0.503SS..Hα-helixtrans-59.1-39.5173-179.561.8000112.3L410 E416 L417 I418L410-L414 WeakPolarHBondContact O-CB 3.4Å; L410-L414 PolarHBondContact O-N 3.17Å; L414-E416 VanDerWaalsContact C-N 3.3Å; L414-E416 PolarHBondContact O-N 3.41Å; L414-L417 PolarHBondContact O-N 2.91Å; L414-I418 HydrophobicContact CD1-CD1 4.13Å; L414-I418 HydrophobicContact CD1-CG1 4.37Å; L414-I418 HydrophobicContact CG-CD1 3.94Å; L414-I418 WeakPolarHBondContact O-CB 3.39Å; L414-I418 WeakPolarHBondContact O-CD1 3.19Å; L414-I418 VanDerWaalsContact O-CG1 3.24Å; L414-I418 WeakPolarHBondContact O-CG1 3.29Å; L414-I418 PolarHBondContact O-N 3.04Å
415N95Very high95.5Very high85 Ų8598.4 Ų98.446%0.45549%0.494SS..Hα-helixtrans-71.5-20.8175.4-72.3-31.7000113.6R411 N412 E413 R419R411-N415 WeakPolarHBondContact O-CB 3.41Å; R411-N415 PolarHBondContact O-N 3.46Å; R411-N415 PolarHBondContact O-ND2 3.37Å; R411-N415 VanDerWaalsContact O-ND2 3.09Å; N412-N415 CarbonylContact O-C 3.35Å; N412-N415 PolarHBondContact O-N 3.05Å; E413-N415 VanDerWaalsContact C-N 3.3Å; E413-N415 PolarHBondContact O-N 2.89Å; N415-R419 WeakPolarHBondContact O-CG 3.43Å; N415-R419 PolarHBondContact O-NE 2.89Å; N415-R419 PolarHBondContact O-NH2 2.71Å
416E95.6Very high95.6Very high102 Ų10298.6 Ų98.648%0.47750%0.498SS..Hα-helixtrans-74.9-51.3168.7-165.867.1-118.500109.9N412 E413 L414 I418 R419 E420N412-E416 PolarHBondContact O-N 3.15Å; E413-E416 WeakPolarHBondContact O-CA 3.4Å; E413-E416 WeakPolarHBondContact O-CB 3.28Å; E413-E416 PolarHBondContact O-N 2.9Å; L414-E416 VanDerWaalsContact C-N 3.3Å; L414-E416 PolarHBondContact O-N 3.41Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.13Å; E416-R419 VanDerWaalsContact CD-NH1 3.29Å; E416-R419 CarbonylContact O-C 3.5Å; E416-R419 WeakPolarHBondContact O-CA 3.33Å; E416-R419 WeakPolarHBondContact O-CB 3.28Å; E416-R419 PolarHBondContact O-N 3.42Å; E416-R419 IonicContact OE1-CZ 2.77Å; E416-R419 IonicContact OE1-NH1 2.73Å; E416-R419 PolarHBondContact OE1-NH1 2.65Å; E416-R419 IonicContact OE1-NH2 3.67Å; E416-R419 PolarHBondContact OE1-NH2 2.74Å; E416-R419 IonicContact OE2-CZ 3.15Å; E416-R419 IonicContact OE2-NH1 3.16Å; E416-R419 PolarHBondContact OE2-NH1 3.18Å; E416-R419 IonicContact OE2-NH2 2.67Å; E416-R419 PolarHBondContact OE2-NH2 2.91Å; E416-E420 PolarHBondContact O-N 3.43Å
417L95.5Very high95.6Very high92 Ų9298 Ų9848%0.48249%0.494SS..Hα-helixtrans-59.6-38.6178.8-68.1171.4000112.7E413 L414 R419 E420 E421E413-L417 HydrophobicContact CG-CD1 4.43Å; E413-L417 WeakPolarHBondContact O-CG 3.49Å; E413-L417 PolarHBondContact O-N 2.97Å; L414-L417 PolarHBondContact O-N 2.91Å; L417-R419 VanDerWaalsContact C-N 3.31Å; L417-R419 PolarHBondContact O-N 3.39Å; L417-E420 PolarHBondContact O-N 2.94Å; L417-E421 WeakPolarHBondContact O-CB 3.47Å; L417-E421 PolarHBondContact O-N 3.16Å
418I96.1Very high95.6Very high89 Ų8998.6 Ų98.646%0.45650%0.497SS..Hα-helixtrans-64.5-34.7174.3-71.9166.2000111.7L414 E416 A422L414-I418 HydrophobicContact CD1-CD1 4.13Å; L414-I418 HydrophobicContact CD1-CG1 4.37Å; L414-I418 HydrophobicContact CG-CD1 3.94Å; L414-I418 WeakPolarHBondContact O-CB 3.39Å; L414-I418 WeakPolarHBondContact O-CD1 3.19Å; L414-I418 VanDerWaalsContact O-CG1 3.24Å; L414-I418 WeakPolarHBondContact O-CG1 3.29Å; L414-I418 PolarHBondContact O-N 3.04Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.13Å; I418-A422 WeakPolarHBondContact O-CB 3.47Å; I418-A422 PolarHBondContact O-N 3.34Å
419R95.8Very high95.6Very high122 Ų122100.8 Ų100.846%0.4650%0.501SS..Hα-helixtrans-75.1-38.9175.5-77.3-179.2-71.4106.6-5.7111.8N415 E416 L417 A422 M423N415-R419 WeakPolarHBondContact O-CG 3.43Å; N415-R419 PolarHBondContact O-NE 2.89Å; N415-R419 PolarHBondContact O-NH2 2.71Å; E416-R419 VanDerWaalsContact CD-NH1 3.29Å; E416-R419 CarbonylContact O-C 3.5Å; E416-R419 WeakPolarHBondContact O-CA 3.33Å; E416-R419 WeakPolarHBondContact O-CB 3.28Å; E416-R419 PolarHBondContact O-N 3.42Å; E416-R419 IonicContact OE1-CZ 2.77Å; E416-R419 IonicContact OE1-NH1 2.73Å; E416-R419 PolarHBondContact OE1-NH1 2.65Å; E416-R419 IonicContact OE1-NH2 3.67Å; E416-R419 PolarHBondContact OE1-NH2 2.74Å; E416-R419 IonicContact OE2-CZ 3.15Å; E416-R419 IonicContact OE2-NH1 3.16Å; E416-R419 PolarHBondContact OE2-NH1 3.18Å; E416-R419 IonicContact OE2-NH2 2.67Å; E416-R419 PolarHBondContact OE2-NH2 2.91Å; L417-R419 VanDerWaalsContact C-N 3.31Å; L417-R419 PolarHBondContact O-N 3.39Å; R419-A422 PolarHBondContact O-N 3Å; R419-M423 WeakPolarHBondContact O-CG 3.4Å; R419-M423 PolarHBondContact O-N 2.66Å
420E95.4Very high95.6Very high107 Ų10799.2 Ų99.250%0.549%0.486SS..Hα-helixtrans-62.3-45172.4-174.5172.3-165.500111E416 L417 A422 M423 L424E416-E420 PolarHBondContact O-N 3.43Å; L417-E420 PolarHBondContact O-N 2.94Å; E420-A422 PolarHBondContact O-N 2.93Å; E420-M423 CarbonylContact O-C 3.53Å; E420-M423 PolarHBondContact O-N 2.92Å; E420-L424 HydrophobicContact CG-CD1 4.01Å; E420-L424 HydrophobicContact CG-CG 4.39Å; E420-L424 WeakPolarHBondContact O-CB 3.38Å; E420-L424 VanDerWaalsContact O-CG 3.32Å; E420-L424 WeakPolarHBondContact O-CG 3.49Å; E420-L424 PolarHBondContact O-N 3.2Å
421E94.2Very high95.6Very high110 Ų11099.2 Ų99.251%0.51449%0.486SS..Hα-helixtrans-58.3-47.7175.2-165-167.6160.300111.1L417 M423 L424 Q425L417-E421 WeakPolarHBondContact O-CB 3.47Å; L417-E421 PolarHBondContact O-N 3.16Å; E421-M423 VanDerWaalsContact C-N 3.34Å; E421-M423 PolarHBondContact O-N 3.01Å; E421-L424 CarbonylContact O-C 3.58Å; E421-L424 PolarHBondContact O-N 3.28Å; E421-L424 VanDerWaalsContact O-N 3.11Å; E421-Q425 HydrophobicContact CG-CG 4.48Å; E421-Q425 WeakPolarHBondContact O-CG 3.49Å; E421-Q425 PolarHBondContact O-N 3.15Å; E421-Q425 PolarHBondContact OE1-NE2 3.48Å
422A96.1Very high95.7Very high55 Ų5596.5 Ų96.546%0.45548%0.48SS..Hα-helixtrans-60-41176.500000112.6I418 R419 E420 L424 Q425 D426I418-A422 WeakPolarHBondContact O-CB 3.47Å; I418-A422 PolarHBondContact O-N 3.34Å; R419-A422 PolarHBondContact O-N 3Å; E420-A422 PolarHBondContact O-N 2.93Å; A422-L424 VanDerWaalsContact C-N 3.33Å; A422-L424 PolarHBondContact O-N 3.24Å; A422-Q425 PolarHBondContact O-N 3.49Å; A422-D426 PolarHBondContact O-N 3.18Å
423M95.5Very high95.7Very high116 Ų11697.5 Ų97.557%0.57148%0.476SS*.Hα-helixtrans-68.4-29.4174.9-72.2-178.27300113.1R419 E420 E421 K427R419-M423 WeakPolarHBondContact O-CG 3.4Å; R419-M423 PolarHBondContact O-N 2.66Å; E420-M423 CarbonylContact O-C 3.53Å; E420-M423 PolarHBondContact O-N 2.92Å; E421-M423 VanDerWaalsContact C-N 3.34Å; E421-M423 PolarHBondContact O-N 3.01Å; M423-K427 WeakPolarHBondContact O-CD 3.26Å; M423-K427 WeakPolarHBondContact O-CG 3.43Å; M423-K427 PolarHBondContact O-N 2.74Å
424L96.2Very high95.6Very high81 Ų8198.6 Ų98.642%0.42448%0.476SS..Hα-helixtrans-76.5-39173.8-71.2171.2000111.4E420 E421 A422 K427 I428E420-L424 HydrophobicContact CG-CD1 4.01Å; E420-L424 HydrophobicContact CG-CG 4.39Å; E420-L424 WeakPolarHBondContact O-CB 3.38Å; E420-L424 VanDerWaalsContact O-CG 3.32Å; E420-L424 WeakPolarHBondContact O-CG 3.49Å; E420-L424 PolarHBondContact O-N 3.2Å; E421-L424 CarbonylContact O-C 3.58Å; E421-L424 PolarHBondContact O-N 3.28Å; E421-L424 VanDerWaalsContact O-N 3.11Å; A422-L424 VanDerWaalsContact C-N 3.33Å; A422-L424 PolarHBondContact O-N 3.24Å; L424-K427 HydrophobicContact CD2-CD 4.37Å; L424-K427 PolarHBondContact O-N 3.34Å; L424-I428 WeakPolarHBondContact O-CD1 3.44Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.24Å; L424-I428 PolarHBondContact O-N 3.24Å
425Q95.3Very high95.6Very high98 Ų9898.9 Ų98.946%0.45848%0.477SS..Hα-helixtrans-60.9-44.3173.3-71.1-179.717.100111.4E421 A422 I428 I429E421-Q425 HydrophobicContact CG-CG 4.48Å; E421-Q425 WeakPolarHBondContact O-CG 3.49Å; E421-Q425 PolarHBondContact O-N 3.15Å; E421-Q425 PolarHBondContact OE1-NE2 3.48Å; A422-Q425 PolarHBondContact O-N 3.49Å; Q425-I428 WeakPolarHBondContact O-CB 3.32Å; Q425-I428 PolarHBondContact O-N 2.9Å; Q425-I428 VanDerWaalsContact O-N 3.16Å; Q425-I429 WeakPolarHBondContact O-CG1 3.31Å; Q425-I429 PolarHBondContact O-N 3.16Å
426D96.2Very high95.6Very high104 Ų10499.8 Ų99.856%0.55648%0.478SS*.Hα-helixtrans-62-44.6174.9-175.560.6000112.2A422 I428 I429 E430A422-D426 PolarHBondContact O-N 3.18Å; D426-I428 VanDerWaalsContact C-N 3.28Å; D426-I428 PolarHBondContact O-N 2.95Å; D426-I429 PolarHBondContact O-N 3.47Å; D426-E430 WeakPolarHBondContact O-CB 3.47Å; D426-E430 PolarHBondContact O-N 3.25Å
427K96.3Very high95.6Very high108 Ų10899.4 Ų99.447%0.4748%0.477SS..Hα-helixtrans-60.2-34.8172.6-73165.9-173.2169.40112.9M423 L424 N431M423-K427 WeakPolarHBondContact O-CD 3.26Å; M423-K427 WeakPolarHBondContact O-CG 3.43Å; M423-K427 PolarHBondContact O-N 2.74Å; L424-K427 HydrophobicContact CD2-CD 4.37Å; L424-K427 PolarHBondContact O-N 3.34Å; K427-N431 WeakPolarHBondContact O-CB 3.45Å; K427-N431 VanDerWaalsContact O-CG 3.25Å; K427-N431 PolarHBondContact O-N 2.84Å; K427-N431 PolarHBondContact O-ND2 3.42Å; K427-N431 VanDerWaalsContact O-ND2 3.1Å
428I95.5Very high95.5Very high94 Ų9499.9 Ų99.948%0.48248%0.479SS..Hα-helixtrans-67.9-45.2175.2-72.6162.7000110.2L424 Q425 D426 N431 Q432L424-I428 WeakPolarHBondContact O-CD1 3.44Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.24Å; L424-I428 PolarHBondContact O-N 3.24Å; Q425-I428 WeakPolarHBondContact O-CB 3.32Å; Q425-I428 PolarHBondContact O-N 2.9Å; Q425-I428 VanDerWaalsContact O-N 3.16Å; D426-I428 VanDerWaalsContact C-N 3.28Å; D426-I428 PolarHBondContact O-N 2.95Å; I428-N431 PolarHBondContact O-N 3.24Å; I428-Q432 HydrophobicContact CG2-CG 4.39Å; I428-Q432 WeakPolarHBondContact O-CB 3.44Å; I428-Q432 VanDerWaalsContact O-CG 3.27Å; I428-Q432 WeakPolarHBondContact O-CG 3.28Å; I428-Q432 PolarHBondContact O-N 2.77Å
429I95.8Very high95.4Very high90 Ų9099.6 Ų99.646%0.46248%0.475SS..Hα-helixtrans-63.6-41.3177.2-67163.9000111.1Q425 D426 Q432 R433Q425-I429 WeakPolarHBondContact O-CG1 3.31Å; Q425-I429 PolarHBondContact O-N 3.16Å; D426-I429 PolarHBondContact O-N 3.47Å; I429-Q432 PolarHBondContact O-N 3.29Å; I429-R433 WeakPolarHBondContact O-CB 3.13Å; I429-R433 PolarHBondContact O-N 3.02Å
430E95.1Very high95.4Very high52 Ų5298.9 Ų98.924%0.24348%0.476CS..Hα-helixtrans-59.5-47.9173.2178.660.9-153.800111.7D426 R433 R434D426-E430 WeakPolarHBondContact O-CB 3.47Å; D426-E430 PolarHBondContact O-N 3.25Å; E430-R433 PolarHBondContact O-N 2.87Å; E430-R433 IonicContact OE1-NH1 2.68Å; E430-R433 IonicContact OE2-CZ 2.71Å; E430-R433 IonicContact OE2-NH1 2.64Å; E430-R433 PolarHBondContact OE2-NH1 3.36Å; E430-R433 IonicContact OE2-NH2 3.58Å; E430-R433 PolarHBondContact OE2-NH2 3.45Å; E430-R434 WeakPolarHBondContact O-CG 3.3Å; E430-R434 PolarHBondContact O-N 3.41Å; E430-R434 IonicContact OE1-CZ 2.7Å; E430-R434 IonicContact OE1-NE 3.73Å; E430-R434 PolarHBondContact OE1-NE 2.92Å; E430-R434 IonicContact OE1-NH2 3.62Å; E430-R434 PolarHBondContact OE1-NH2 3.49Å
431N95.4Very high95.3Very high95 Ų9598.7 Ų98.751%0.50848%0.475SS..Hα-helixtrans-68.1-35.2178.1-74.1-31.6000112.7K427 I428 R434 L435K427-N431 WeakPolarHBondContact O-CB 3.45Å; K427-N431 VanDerWaalsContact O-CG 3.25Å; K427-N431 PolarHBondContact O-N 2.84Å; K427-N431 PolarHBondContact O-ND2 3.42Å; K427-N431 VanDerWaalsContact O-ND2 3.1Å; I428-N431 PolarHBondContact O-N 3.24Å; N431-R434 PolarHBondContact O-N 2.83Å; N431-L435 WeakPolarHBondContact O-CB 3.11Å; N431-L435 PolarHBondContact O-N 2.99Å
432Q96.9Very high95.2Very high108 Ų10898.6 Ų98.651%0.50548%0.478SS..Hα-helixtrans-62.1-44.8171.7-76.8170.4-14.400111.3I428 I429 R434 L435 E436I428-Q432 HydrophobicContact CG2-CG 4.39Å; I428-Q432 WeakPolarHBondContact O-CB 3.44Å; I428-Q432 VanDerWaalsContact O-CG 3.27Å; I428-Q432 WeakPolarHBondContact O-CG 3.28Å; I428-Q432 PolarHBondContact O-N 2.77Å; I429-Q432 PolarHBondContact O-N 3.29Å; Q432-R434 VanDerWaalsContact C-N 3.3Å; Q432-R434 PolarHBondContact O-N 2.65Å; Q432-L435 WeakPolarHBondContact O-CB 3.18Å; Q432-L435 PolarHBondContact O-N 3.04Å; Q432-L435 VanDerWaalsContact O-N 3.16Å; Q432-E436 PolarHBondContact O-N 3.24Å
433R96.3Very high95.1Very high127 Ų127104 Ų10448%0.47949%0.487SS..Hα-helixtrans-62.9-36.2177.2-148.7-169.8-38.8107.110.4112.3I429 E430 Q437I429-R433 WeakPolarHBondContact O-CB 3.13Å; I429-R433 PolarHBondContact O-N 3.02Å; E430-R433 PolarHBondContact O-N 2.87Å; E430-R433 IonicContact OE1-NH1 2.68Å; E430-R433 IonicContact OE2-CZ 2.71Å; E430-R433 IonicContact OE2-NH1 2.64Å; E430-R433 PolarHBondContact OE2-NH1 3.36Å; E430-R433 IonicContact OE2-NH2 3.58Å; E430-R433 PolarHBondContact OE2-NH2 3.45Å; R433-Q437 PolarHBondContact O-N 3.39Å; R433-Q437 VanDerWaalsContact O-N 3.1Å
434R95.2Very high95Very high138 Ų138103.7 Ų103.752%0.52149%0.486SS..Hα-helixtrans-68.5-41.3172.8-68.5171.1-170.7-167.51.8112E430 N431 Q432 Q437 I438E430-R434 WeakPolarHBondContact O-CG 3.3Å; E430-R434 PolarHBondContact O-N 3.41Å; E430-R434 IonicContact OE1-CZ 2.7Å; E430-R434 IonicContact OE1-NE 3.73Å; E430-R434 PolarHBondContact OE1-NE 2.92Å; E430-R434 IonicContact OE1-NH2 3.62Å; E430-R434 PolarHBondContact OE1-NH2 3.49Å; N431-R434 PolarHBondContact O-N 2.83Å; Q432-R434 VanDerWaalsContact C-N 3.3Å; Q432-R434 PolarHBondContact O-N 2.65Å; R434-Q437 PolarHBondContact O-N 2.97Å; R434-I438 WeakPolarHBondContact O-CG1 3.49Å; R434-I438 PolarHBondContact O-N 3.43Å
435L94.8Very high94.8Very high104 Ų104102 Ų10255%0.54548%0.484SS..Hα-helixtrans-61-47.1174.9-167.878.9000110.9N431 Q432 Q437 I438 E439N431-L435 WeakPolarHBondContact O-CB 3.11Å; N431-L435 PolarHBondContact O-N 2.99Å; Q432-L435 WeakPolarHBondContact O-CB 3.18Å; Q432-L435 PolarHBondContact O-N 3.04Å; Q432-L435 VanDerWaalsContact O-N 3.16Å; L435-Q437 VanDerWaalsContact C-N 3.28Å; L435-Q437 PolarHBondContact O-N 3.36Å; L435-I438 PolarHBondContact O-N 2.89Å; L435-E439 WeakPolarHBondContact O-CB 3.48Å; L435-E439 PolarHBondContact O-N 3.25Å
436E94.9Very high94.7Very high103 Ų103101.8 Ų101.848%0.48148%0.483SS..Hα-helixtrans-58.7-37.7174.2-80.1-169.4-152.300113.1Q432 E439 K440Q432-E436 PolarHBondContact O-N 3.24Å; E436-E439 PolarHBondContact O-N 3.39Å; E436-K440 VanDerWaalsContact O-CD 3.28Å; E436-K440 WeakPolarHBondContact O-CD 3.33Å; E436-K440 WeakPolarHBondContact O-CG 3.29Å; E436-K440 PolarHBondContact O-N 2.78Å; E436-K440 IonicContact OE2-NZ 3.15Å; E436-K440 PolarHBondContact OE2-NZ 2.93Å
437Q94.7Very high94.4Very high95 Ų95100.4 Ų100.444%0.44448%0.482SS..Hα-helixtrans-67.4-47178.1-178.759.424.500110.8R433 R434 L435 E439 K440 E441R433-Q437 PolarHBondContact O-N 3.39Å; R433-Q437 VanDerWaalsContact O-N 3.1Å; R434-Q437 PolarHBondContact O-N 2.97Å; L435-Q437 VanDerWaalsContact C-N 3.28Å; L435-Q437 PolarHBondContact O-N 3.36Å; Q437-E439 VanDerWaalsContact C-N 3.29Å; Q437-E439 PolarHBondContact O-N 2.72Å; Q437-K440 PolarHBondContact O-N 3.09Å; Q437-K440 VanDerWaalsContact O-N 3.12Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 3.05Å; Q437-E441 WeakPolarHBondContact O-CG 3.01Å; Q437-E441 PolarHBondContact O-N 3.4Å
438I94.2Very high94.1Very high101 Ų101100.4 Ų100.452%0.51848%0.479SS..Hα-helixtrans-62.1-37.3174.7-66.4165.3000110.7R434 L435 E441 N442R434-I438 WeakPolarHBondContact O-CG1 3.49Å; R434-I438 PolarHBondContact O-N 3.43Å; L435-I438 PolarHBondContact O-N 2.89Å; I438-E441 PolarHBondContact O-N 3.29Å; I438-N442 WeakPolarHBondContact O-CB 3.49Å; I438-N442 PolarHBondContact O-N 3.31Å
439E94.5Very high93.9Very high83 Ų8399.3 Ų99.339%0.38848%0.476SS..Hα-helixtrans-63.3-42.1172.2-85-164.5-142.200112.8L435 E436 Q437 N442 R443L435-E439 WeakPolarHBondContact O-CB 3.48Å; L435-E439 PolarHBondContact O-N 3.25Å; E436-E439 PolarHBondContact O-N 3.39Å; Q437-E439 VanDerWaalsContact C-N 3.29Å; Q437-E439 PolarHBondContact O-N 2.72Å; E439-N442 PolarHBondContact O-N 3.17Å; E439-R443 WeakPolarHBondContact O-CB 3.36Å; E439-R443 WeakPolarHBondContact O-CG 3.43Å; E439-R443 PolarHBondContact O-N 3.34Å; E439-R443 IonicContact OE2-CZ 2.66Å; E439-R443 IonicContact OE2-NE 3.1Å; E439-R443 IonicContact OE2-NH2 3.58Å; E439-R443 PolarHBondContact OE2-NH2 3.26Å
440K94.9Very high93.7Very high107 Ų10798.3 Ų98.347%0.46547%0.472SS..Hα-helixtrans-64.8-43.3177.2-71.3156.1-164.1159.90110.9E436 Q437 R443 L444E436-K440 VanDerWaalsContact O-CD 3.28Å; E436-K440 WeakPolarHBondContact O-CD 3.33Å; E436-K440 WeakPolarHBondContact O-CG 3.29Å; E436-K440 PolarHBondContact O-N 2.78Å; E436-K440 IonicContact OE2-NZ 3.15Å; E436-K440 PolarHBondContact OE2-NZ 2.93Å; Q437-K440 PolarHBondContact O-N 3.09Å; Q437-K440 VanDerWaalsContact O-N 3.12Å; K440-R443 PolarHBondContact O-N 2.87Å; K440-L444 WeakPolarHBondContact O-CB 3.36Å; K440-L444 PolarHBondContact O-N 3.24Å
441E92.5Very high93.5Very high104 Ų104101.5 Ų101.549%0.48649%0.487SS..Hα-helixtrans-63.5-43175.1-72.3167.8-166.900111.8Q437 I438 L444 A445Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 3.05Å; Q437-E441 WeakPolarHBondContact O-CG 3.01Å; Q437-E441 PolarHBondContact O-N 3.4Å; I438-E441 PolarHBondContact O-N 3.29Å; E441-L444 PolarHBondContact O-N 2.69Å; E441-A445 WeakPolarHBondContact O-CB 3.48Å; E441-A445 PolarHBondContact O-N 3.42Å
442N93Very high93.2Very high107 Ų10799.4 Ų99.457%0.57248%0.483SS*.Hα-helixtrans-69.3-37.4177.9-164.617.2000112.3I438 E439 L444 A445 Q446I438-N442 WeakPolarHBondContact O-CB 3.49Å; I438-N442 PolarHBondContact O-N 3.31Å; E439-N442 PolarHBondContact O-N 3.17Å; N442-L444 VanDerWaalsContact C-N 3.35Å; N442-A445 PolarHBondContact O-N 3.39Å; N442-Q446 WeakPolarHBondContact O-CB 3.23Å; N442-Q446 PolarHBondContact O-N 3.31Å
443R94.3Very high93Very high170 Ų17098.2 Ų98.264%0.64248%0.48SS*.Hα-helixtrans-64.1-38.3171.4-71.5171.1-160.5-150.99.6111.9E439 K440 S447E439-R443 WeakPolarHBondContact O-CB 3.36Å; E439-R443 WeakPolarHBondContact O-CG 3.43Å; E439-R443 PolarHBondContact O-N 3.34Å; E439-R443 IonicContact OE2-CZ 2.66Å; E439-R443 IonicContact OE2-NE 3.1Å; E439-R443 IonicContact OE2-NH2 3.58Å; E439-R443 PolarHBondContact OE2-NH2 3.26Å; K440-R443 PolarHBondContact O-N 2.87Å; R443-S447 PolarHBondContact O-N 2.99Å
444L93.2Very high92.8Very high108 Ų10896.9 Ų96.957%0.56548%0.482SS*.Hα-helixtrans-67.4-42.5174.3-173.7154.6000111.1K440 E441 N442 S447 R448K440-L444 WeakPolarHBondContact O-CB 3.36Å; K440-L444 PolarHBondContact O-N 3.24Å; E441-L444 PolarHBondContact O-N 2.69Å; N442-L444 VanDerWaalsContact C-N 3.35Å; L444-S447 PolarHBondContact O-N 2.85Å; L444-R448 HydrophobicContact CD2-CG 4.34Å; L444-R448 WeakPolarHBondContact O-CG 3.17Å; L444-R448 PolarHBondContact O-N 3.19Å
445A91.1Very high92.4Very high46 Ų4694.1 Ų94.138%0.3847%0.474SS..Hα-helixtrans-61.2-45.5174.100000111.6E441 N442 S447 R448 V449E441-A445 WeakPolarHBondContact O-CB 3.48Å; E441-A445 PolarHBondContact O-N 3.42Å; N442-A445 PolarHBondContact O-N 3.39Å; A445-S447 PolarHBondContact O-N 3.17Å; A445-R448 WeakPolarHBondContact O-CB 3.49Å; A445-R448 PolarHBondContact O-N 3.09Å; A445-R448 VanDerWaalsContact O-N 3.1Å; A445-V449 WeakPolarHBondContact O-CG2 3.49Å; A445-V449 PolarHBondContact O-N 2.94Å
446Q93.2Very high92.1Very high94 Ų9493.4 Ų93.444%0.43947%0.47SS..Hα-helixtrans-58.9-46.2174.2-173.161.651.400111.1N442 R448 V449 D450N442-Q446 WeakPolarHBondContact O-CB 3.23Å; N442-Q446 PolarHBondContact O-N 3.31Å; Q446-R448 VanDerWaalsContact C-N 3.25Å; Q446-R448 PolarHBondContact O-N 3.29Å; Q446-V449 CarbonylContact O-C 3.6Å; Q446-V449 WeakPolarHBondContact O-CA 3.32Å; Q446-V449 WeakPolarHBondContact O-CB 3.46Å; Q446-V449 PolarHBondContact O-N 3.22Å; Q446-D450 PolarHBondContact NE2-OD1 3.32Å; Q446-D450 PolarHBondContact O-N 2.77Å
447S91.3Very high91.8Very high75 Ų7594.9 Ų94.952%0.52448%0.477SS..Hα-helixtrans-61.9-29.9175.9-175.70000113.5R443 L444 A445 Q451R443-S447 PolarHBondContact O-N 2.99Å; L444-S447 PolarHBondContact O-N 2.85Å; A445-S447 PolarHBondContact O-N 3.17Å; S447-Q451 WeakPolarHBondContact O-CB 3.28Å; S447-Q451 PolarHBondContact O-N 2.9Å
448R88.7Confident91.4Very high108 Ų10894.5 Ų94.541%0.40848%0.481SS..Hα-helixtrans-73.2-36.5171.6-71.1177.274.3159.63.4111.7L444 A445 Q446 A452 G510L444-R448 HydrophobicContact CD2-CG 4.34Å; L444-R448 WeakPolarHBondContact O-CG 3.17Å; L444-R448 PolarHBondContact O-N 3.19Å; A445-R448 WeakPolarHBondContact O-CB 3.49Å; A445-R448 PolarHBondContact O-N 3.09Å; A445-R448 VanDerWaalsContact O-N 3.1Å; Q446-R448 VanDerWaalsContact C-N 3.25Å; Q446-R448 PolarHBondContact O-N 3.29Å; R448-A452 WeakPolarHBondContact O-CB 3.39Å; R448-A452 PolarHBondContact O-N 3.11Å; R448-G510 PolarHBondContact NH2-O 3.34Å
449V91.7Very high91Very high70 Ų7093.7 Ų93.742%0.42448%0.478SS..Hα-helixtrans-65.3-45.6172.6169.60000110.8A445 Q446 Q451 A452 N453A445-V449 WeakPolarHBondContact O-CG2 3.49Å; A445-V449 PolarHBondContact O-N 2.94Å; Q446-V449 CarbonylContact O-C 3.6Å; Q446-V449 WeakPolarHBondContact O-CA 3.32Å; Q446-V449 WeakPolarHBondContact O-CB 3.46Å; Q446-V449 PolarHBondContact O-N 3.22Å; V449-Q451 VanDerWaalsContact C-N 3.35Å; V449-Q451 PolarHBondContact O-N 2.86Å; V449-A452 CarbonylContact O-C 3.58Å; V449-A452 WeakPolarHBondContact O-CB 3.47Å; V449-A452 PolarHBondContact O-N 2.93Å; V449-A452 VanDerWaalsContact O-N 3.11Å; V449-N453 WeakPolarHBondContact O-CB 3.48Å; V449-N453 VanDerWaalsContact O-CG 3.22Å; V449-N453 PolarHBondContact O-N 3.35Å; V449-N453 PolarHBondContact O-ND2 3.16Å
450D91.7Very high90.7Very high69 Ų6994.4 Ų94.437%0.36948%0.481SS..Hα-helixtrans-63.7-40.6177.6-59.2-26.1000111.1Q446 A452 N453 N454Q446-D450 PolarHBondContact NE2-OD1 3.32Å; Q446-D450 PolarHBondContact O-N 2.77Å; D450-A452 VanDerWaalsContact C-N 3.34Å; D450-A452 PolarHBondContact O-N 3.36Å; D450-N453 PolarHBondContact O-N 3.43Å; D450-N454 WeakPolarHBondContact O-CB 3.48Å; D450-N454 PolarHBondContact O-N 3.42Å; D450-N454 PolarHBondContact O-ND2 3.32Å
451Q91.5Very high90.2Very high120 Ų12092.1 Ų92.156%0.56148%0.478SS*.Hα-helixtrans-62.4-39.9172.1-170.3-174.425.700112.1S447 V449 K455S447-Q451 WeakPolarHBondContact O-CB 3.28Å; S447-Q451 PolarHBondContact O-N 2.9Å; V449-Q451 VanDerWaalsContact C-N 3.35Å; V449-Q451 PolarHBondContact O-N 2.86Å; Q451-K455 WeakPolarHBondContact O-CG 3.39Å; Q451-K455 PolarHBondContact O-N 3.15Å; Q451-K455 VanDerWaalsContact O-N 3.08Å
452A89.5Confident89.8Confident51 Ų5188.9 Ų88.942%0.42147%0.466SS..Hα-helixtrans-68.5-38.9176.300000112.1R448 V449 D450 K455 L456R448-A452 WeakPolarHBondContact O-CB 3.39Å; R448-A452 PolarHBondContact O-N 3.11Å; V449-A452 CarbonylContact O-C 3.58Å; V449-A452 WeakPolarHBondContact O-CB 3.47Å; V449-A452 PolarHBondContact O-N 2.93Å; V449-A452 VanDerWaalsContact O-N 3.11Å; D450-A452 VanDerWaalsContact C-N 3.34Å; D450-A452 PolarHBondContact O-N 3.36Å; A452-K455 PolarHBondContact O-N 3.49Å; A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 PolarHBondContact O-N 3.07Å
453N92.9Very high89.5Confident83 Ų8391.4 Ų91.444%0.44447%0.467SS..Hα-helixtrans-65.1-45.5175.5-69.9-21.6000111.3V449 D450 K455 L456 E457V449-N453 WeakPolarHBondContact O-CB 3.48Å; V449-N453 VanDerWaalsContact O-CG 3.22Å; V449-N453 PolarHBondContact O-N 3.35Å; V449-N453 PolarHBondContact O-ND2 3.16Å; D450-N453 PolarHBondContact O-N 3.43Å; N453-K455 VanDerWaalsContact C-N 3.3Å; N453-K455 PolarHBondContact O-N 2.8Å; N453-L456 CarbonylContact O-C 3.54Å; N453-L456 WeakPolarHBondContact O-CB 3.35Å; N453-L456 PolarHBondContact O-N 3.33Å; N453-L456 VanDerWaalsContact O-N 3.11Å; N453-E457 PolarHBondContact O-N 3.44Å
454N90.3Very high89.2Confident98 Ų9886.8 Ų86.852%0.52446%0.461SS..Hα-helixtrans-60.4-39.9174.5-68.1-24.3000111.6D450 T458D450-N454 WeakPolarHBondContact O-CB 3.48Å; D450-N454 PolarHBondContact O-N 3.42Å; D450-N454 PolarHBondContact O-ND2 3.32Å; N454-T458 PolarHBondContact O-N 2.71Å; N454-T458 VanDerWaalsContact O-N 3.07Å; N454-T458 PolarHBondContact O-OG1 2.98Å
455K88.2Confident88.8Confident80 Ų8084.7 Ų84.735%0.34845%0.448SS..Hα-helixtrans-64.3-43.5172.4-77.2-169.8178.1-165.50111.7Q451 A452 N453 T458 L459 S503Q451-K455 WeakPolarHBondContact O-CG 3.39Å; Q451-K455 PolarHBondContact O-N 3.15Å; Q451-K455 VanDerWaalsContact O-N 3.08Å; A452-K455 PolarHBondContact O-N 3.49Å; N453-K455 VanDerWaalsContact C-N 3.3Å; N453-K455 PolarHBondContact O-N 2.8Å; K455-T458 WeakPolarHBondContact CA-OG1 3.45Å; K455-T458 PolarHBondContact O-N 2.97Å; K455-T458 PolarHBondContact O-OG1 3.06Å; K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.49Å; K455-S503 PolarHBondContact NZ-OG 2.88Å
456L88Confident88.4Confident90 Ų9085.1 Ų85.147%0.47144%0.444SS..Hα-helixtrans-60.3-45.3176.8-177.462.6000111.1A452 N453 T458 L459 E460A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 PolarHBondContact O-N 3.07Å; N453-L456 CarbonylContact O-C 3.54Å; N453-L456 WeakPolarHBondContact O-CB 3.35Å; N453-L456 PolarHBondContact O-N 3.33Å; N453-L456 VanDerWaalsContact O-N 3.11Å; L456-T458 PolarHBondContact O-N 3.46Å; L456-L459 CarbonylContact O-C 3.59Å; L456-L459 PolarHBondContact O-N 3.05Å; L456-L459 VanDerWaalsContact O-N 3.11Å; L456-E460 HydrophobicContact CD1-CG 4.31Å; L456-E460 HydrophobicContact CG-CG 4.44Å; L456-E460 WeakPolarHBondContact O-CG 3.36Å; L456-E460 PolarHBondContact O-N 3.35Å
457E89.1Confident88.1Confident134 Ų13485.2 Ų85.263%0.62645%0.447SS*.Hα-helixtrans-60.2-42.2175.5-174.2178.1-168.700111.9N453 L459 E460 S461N453-E457 PolarHBondContact O-N 3.44Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 2.9Å; E457-E460 PolarHBondContact O-N 2.97Å; E457-S461 WeakPolarHBondContact O-CB 3.47Å; E457-S461 PolarHBondContact O-N 3.16Å
458T86.2Confident87.7Confident86 Ų8685 Ų8553%0.52844%0.438SS..Hα-helixtrans-63.6-37.7173.855.10000112.8N454 K455 L456 S461 T462N454-T458 PolarHBondContact O-N 2.71Å; N454-T458 VanDerWaalsContact O-N 3.07Å; N454-T458 PolarHBondContact O-OG1 2.98Å; K455-T458 WeakPolarHBondContact CA-OG1 3.45Å; K455-T458 PolarHBondContact O-N 2.97Å; K455-T458 PolarHBondContact O-OG1 3.06Å; L456-T458 PolarHBondContact O-N 3.46Å; T458-S461 PolarHBondContact O-N 3.35Å; T458-T462 PolarHBondContact O-N 3.38Å; T458-T462 PolarHBondContact O-OG1 3.46Å
459L84.4Confident87.4Confident85 Ų8580.1 Ų80.145%0.44542%0.42SS..Hα-helixtrans-73.9-32.1177-69.6170.9000112.7K455 L456 E457 T462 R463K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.49Å; L456-L459 CarbonylContact O-C 3.59Å; L456-L459 PolarHBondContact O-N 3.05Å; L456-L459 VanDerWaalsContact O-N 3.11Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 2.9Å; L459-T462 PolarHBondContact O-OG1 3.44Å; L459-R463 WeakPolarHBondContact O-CB 3.44Å; L459-R463 PolarHBondContact O-N 2.87Å
460E88.2Confident86.9Confident97 Ų9781.3 Ų81.345%0.45342%0.423SS..Hα-helixtrans-72.2-32.6172-72.3-169154.400111.3L456 E457 S464L456-E460 HydrophobicContact CD1-CG 4.31Å; L456-E460 HydrophobicContact CG-CG 4.44Å; L456-E460 WeakPolarHBondContact O-CG 3.36Å; L456-E460 PolarHBondContact O-N 3.35Å; E457-E460 PolarHBondContact O-N 2.97Å; E460-S464 VanDerWaalsContact O-CB 3.27Å; E460-S464 WeakPolarHBondContact O-CB 3.43Å; E460-S464 PolarHBondContact O-N 2.84Å; E460-S464 PolarHBondContact O-OG 3.09Å
461S85.3Confident86.3Confident59 Ų5984.9 Ų84.941%0.41344%0.438SS..Hα-helixtrans-66.7-48.4170.8-175.90000112.3E457 T458 S464 Q465E457-S461 WeakPolarHBondContact O-CB 3.47Å; E457-S461 PolarHBondContact O-N 3.16Å; T458-S461 PolarHBondContact O-N 3.35Å; S461-S464 PolarHBondContact O-N 2.88Å; S461-Q465 VanDerWaalsContact O-CG 3.3Å; S461-Q465 WeakPolarHBondContact O-CG 3.34Å; S461-Q465 PolarHBondContact O-N 3.03Å; S461-Q465 PolarHBondContact O-NE2 3.46Å; S461-Q465 PolarHBondContact OG-NE2 2.98Å; S461-Q465 VanDerWaalsContact OG-NE2 3.11Å
462T84.7Confident85.7Confident36 Ų3681.5 Ų81.522%0.22142%0.422CS..Hα-helixtrans-65.7-39.1175.856.70000111.7T458 L459 S464 Q465 L466 L494T458-T462 PolarHBondContact O-N 3.38Å; T458-T462 PolarHBondContact O-OG1 3.46Å; L459-T462 PolarHBondContact O-OG1 3.44Å; T462-S464 PolarHBondContact O-N 3.27Å; T462-Q465 PolarHBondContact O-N 3.03Å; T462-L466 WeakPolarHBondContact O-CB 3.35Å; T462-L466 WeakPolarHBondContact O-CG 3.36Å; T462-L466 PolarHBondContact O-N 3.46Å; T462-L494 HydrophobicContact CG2-CD2 4.44Å
463R86.6Confident85.1Confident160 Ų16083.1 Ų83.160%0.60442%0.418SS*.Hα-helixtrans-58.3-43.7170.8178.9-176.5176-160.3-1.9112.2L459 L466 L467L459-R463 WeakPolarHBondContact O-CB 3.44Å; L459-R463 PolarHBondContact O-N 2.87Å; R463-L466 PolarHBondContact O-N 2.83Å; R463-L467 HydrophobicContact CG-CD1 4.32Å; R463-L467 WeakPolarHBondContact O-CG 3.44Å; R463-L467 PolarHBondContact O-N 2.83Å
464S86.8Confident84.4Confident73 Ų7383.4 Ų83.451%0.5142%0.419SS..Hα-helixtrans-66.4-40.7179.4-610000111.6E460 S461 T462 L467 E468E460-S464 VanDerWaalsContact O-CB 3.27Å; E460-S464 WeakPolarHBondContact O-CB 3.43Å; E460-S464 PolarHBondContact O-N 2.84Å; E460-S464 PolarHBondContact O-OG 3.09Å; S461-S464 PolarHBondContact O-N 2.88Å; T462-S464 PolarHBondContact O-N 3.27Å; S464-L467 PolarHBondContact O-N 3Å; S464-E468 PolarHBondContact O-N 3.05Å
465Q84.9Confident83.7Confident65 Ų6579.2 Ų79.230%0.30440%0.399SS..Hα-helixtrans-67-34.1174.4-67.517263.300112.5S461 T462 V469 L494S461-Q465 VanDerWaalsContact O-CG 3.3Å; S461-Q465 WeakPolarHBondContact O-CG 3.34Å; S461-Q465 PolarHBondContact O-N 3.03Å; S461-Q465 PolarHBondContact O-NE2 3.46Å; S461-Q465 PolarHBondContact OG-NE2 2.98Å; S461-Q465 VanDerWaalsContact OG-NE2 3.11Å; T462-Q465 PolarHBondContact O-N 3.03Å; Q465-V469 WeakPolarHBondContact O-CG2 3.24Å; Q465-V469 PolarHBondContact O-N 3.34Å; Q465-V469 VanDerWaalsContact O-N 3.09Å; Q465-L494 HydrophobicContact CB-CD1 3.97Å; Q465-L494 HydrophobicContact CB-CD2 3.8Å
466L83.7Confident82.8Confident54 Ų5478.3 Ų78.328%0.28340%0.398SS..Hα-helixtrans-68.6-36171.3-75.7168.2000112.2T462 R463 V469 L470 L494 L495T462-L466 WeakPolarHBondContact O-CB 3.35Å; T462-L466 WeakPolarHBondContact O-CG 3.36Å; T462-L466 PolarHBondContact O-N 3.46Å; R463-L466 PolarHBondContact O-N 2.83Å; L466-V469 PolarHBondContact O-N 3.25Å; L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 VanDerWaalsContact O-CG 3.31Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.89Å; L466-L494 HydrophobicContact CD2-CB 3.75Å; L466-L494 HydrophobicContact CD2-CD1 4.17Å; L466-L494 HydrophobicContact CG-CB 4.15Å; L466-L494 HydrophobicContact CG-CD1 4.37Å; L466-L495 HydrophobicContact CD2-CD1 4.41Å
467L85.8Confident81.9Confident96 Ų9680.9 Ų80.950%0.50341%0.411SS..Hα-helixtrans-67-40.2173.3-72.5170.4000111.8R463 S464 V469 L470 E471R463-L467 HydrophobicContact CG-CD1 4.32Å; R463-L467 WeakPolarHBondContact O-CG 3.44Å; R463-L467 PolarHBondContact O-N 2.83Å; S464-L467 PolarHBondContact O-N 3Å; L467-V469 PolarHBondContact O-N 2.92Å; L467-L470 HydrophobicContact CD2-CD1 4.5Å; L467-L470 PolarHBondContact O-N 2.94Å; L467-E471 WeakPolarHBondContact O-CB 3.48Å; L467-E471 PolarHBondContact O-N 2.92Å
468E84Confident81Confident72 Ų7281.1 Ų81.134%0.33642%0.417SS..Hα-helixtrans-59.4-43.7172.8-169-150.9132.400111.8S464 E471 Q472 R490S464-E468 PolarHBondContact O-N 3.05Å; E468-E471 PolarHBondContact O-N 3.23Å; E468-Q472 WeakPolarHBondContact O-CG 3.49Å; E468-Q472 PolarHBondContact O-N 3.45Å; E468-Q472 PolarHBondContact OE1-NE2 3.31Å; E468-R490 IonicContact OE1-CZ 2.71Å; E468-R490 IonicContact OE1-NH1 3.56Å; E468-R490 PolarHBondContact OE1-NH1 2.98Å; E468-R490 IonicContact OE1-NH2 3.59Å; E468-R490 PolarHBondContact OE1-NH2 3.4Å; E468-R490 IonicContact OE2-CZ 2.7Å; E468-R490 IonicContact OE2-NH1 2.84Å; E468-R490 IonicContact OE2-NH2 2.65Å; E468-R490 PolarHBondContact OE2-NH2 3.18Å
469V82.2Confident79.8Confident5 Ų580 Ų803%0.0342%0.423CS..Hα-helixtrans-65.2-39.2174.9165.40000111.7Q465 L466 L467 Q472 Y473 P486 V491 L494Q465-V469 WeakPolarHBondContact O-CG2 3.24Å; Q465-V469 PolarHBondContact O-N 3.34Å; Q465-V469 VanDerWaalsContact O-N 3.09Å; L466-V469 PolarHBondContact O-N 3.25Å; L467-V469 PolarHBondContact O-N 2.92Å; V469-Q472 PolarHBondContact O-N 3.41Å; V469-Y473 HydrophobicContact CG1-CD2 3.84Å; V469-Y473 HydrophobicContact CG1-CE2 3.7Å; V469-Y473 VanDerWaalsContact O-CD2 3.27Å; V469-Y473 WeakPolarHBondContact O-CD2 3.48Å; V469-Y473 PolarHBondContact O-N 3.37Å; V469-P486 HydrophobicContact CG1-CB 4.48Å; V469-V491 HydrophobicContact CG1-CG2 3.89Å; V469-L494 HydrophobicContact CG2-CD1 4.21Å
470L80.6Confident78.4Confident94 Ų9480 Ų8049%0.49242%0.423SS..Hα-helixtrans-68-34174.3-73.9168.9000112.3L466 L467 Y473 N474L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 VanDerWaalsContact O-CG 3.31Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.89Å; L467-L470 HydrophobicContact CD2-CD1 4.5Å; L467-L470 PolarHBondContact O-N 2.94Å; L470-Y473 PolarHBondContact O-N 3.38Å; L470-N474 WeakPolarHBondContact O-CB 3.43Å; L470-N474 PolarHBondContact O-N 3.09Å; L470-N474 PolarHBondContact O-ND2 2.95Å
471E80.2Confident77Confident145 Ų14579.4 Ų79.468%0.67844%0.443SS*.Hα-helixtrans-66.4-41.3172.6-172.8166.9-154.500111.1L467 E468 N474 G475L467-E471 WeakPolarHBondContact O-CB 3.48Å; L467-E471 PolarHBondContact O-N 2.92Å; E468-E471 PolarHBondContact O-N 3.23Å; E471-N474 PolarHBondContact O-N 3.32Å; E471-G475 PolarHBondContact O-N 3.02Å
472Q78.3Confident75.9Confident48 Ų4883.3 Ų83.322%0.22446%0.459CS..Hα-helixtrans-59.8-48.3172.4-72.4161.818.700111.7E468 V469 N474 G475 L476 I483E468-Q472 WeakPolarHBondContact O-CG 3.49Å; E468-Q472 PolarHBondContact O-N 3.45Å; E468-Q472 PolarHBondContact OE1-NE2 3.31Å; V469-Q472 PolarHBondContact O-N 3.41Å; Q472-N474 PolarHBondContact O-N 2.74Å; Q472-G475 PolarHBondContact O-N 3.34Å; Q472-G475 VanDerWaalsContact O-N 3.15Å; Q472-L476 WeakPolarHBondContact O-CD1 3.39Å; Q472-L476 PolarHBondContact O-N 3.37Å; Q472-I483 HydrophobicContact CB-CG2 4.45Å
473Y76.8Confident74.8Confident86 Ų8684.4 Ų84.434%0.33746%0.463SS..Hα-helixtrans-62.1-39.5175.1-81.2-61.3000113.3V469 L470 G475 L476 L477 P486 V491V469-Y473 HydrophobicContact CG1-CD2 3.84Å; V469-Y473 HydrophobicContact CG1-CE2 3.7Å; V469-Y473 VanDerWaalsContact O-CD2 3.27Å; V469-Y473 WeakPolarHBondContact O-CD2 3.48Å; V469-Y473 PolarHBondContact O-N 3.37Å; L470-Y473 PolarHBondContact O-N 3.38Å; Y473-G475 VanDerWaalsContact C-N 3.31Å; Y473-G475 PolarHBondContact O-N 3.08Å; Y473-L476 PolarHBondContact O-N 3.44Å; Y473-L477 PolarHBondContact O-N 2.79Å; Y473-P486 HydrophobicContact CD1-CG 4.09Å; Y473-P486 HydrophobicContact CD2-CG 4Å; Y473-P486 HydrophobicContact CE1-CG 3.68Å; Y473-P486 HydrophobicContact CE2-CG 3.59Å; Y473-P486 HydrophobicContact CG-CG 4.23Å; Y473-P486 VanDerWaalsContact CZ-CG 3.42Å; Y473-V491 HydrophobicContact CE2-CG2 4.49Å
474N78.8Confident73.7Confident88 Ų8885.6 Ų85.647%0.47147%0.473SS..Hα-helixtrans-64.6-36.5173.6-79.5-56.8000111.8L470 E471 Q472 L477 N478L470-N474 WeakPolarHBondContact O-CB 3.43Å; L470-N474 PolarHBondContact O-N 3.09Å; L470-N474 PolarHBondContact O-ND2 2.95Å; E471-N474 PolarHBondContact O-N 3.32Å; Q472-N474 PolarHBondContact O-N 2.74Å; N474-L477 PolarHBondContact O-N 2.97Å; N474-N478 WeakPolarHBondContact O-CB 3.21Å; N474-N478 PolarHBondContact O-N 3.47Å; N474-N478 PolarHBondContact O-ND2 3.33Å; N474-N478 VanDerWaalsContact O-ND2 3.09Å
475G75.5Confident72.6Confident10 Ų1089.2 Ų89.210%0.10348%0.481CS..Hα-helixtrans-60.4-45.8173.400000113.1E471 Q472 Y473 N478 G479 D480E471-G475 PolarHBondContact O-N 3.02Å; Q472-G475 PolarHBondContact O-N 3.34Å; Q472-G475 VanDerWaalsContact O-N 3.15Å; Y473-G475 VanDerWaalsContact C-N 3.31Å; Y473-G475 PolarHBondContact O-N 3.08Å; G475-N478 PolarHBondContact O-N 3.22Å; G475-G479 PolarHBondContact O-N 3.31Å; G475-D480 PolarHBondContact O-N 3.27Å
476L67.6Low71.6Confident62 Ų6286.6 Ų86.633%0.32547%0.47SS..Hα-helixtrans-61.3-43.2171.9-85.782.7000111.8Q472 Y473 N478 G479 I483 E485Q472-L476 WeakPolarHBondContact O-CD1 3.39Å; Q472-L476 PolarHBondContact O-N 3.37Å; Y473-L476 PolarHBondContact O-N 3.44Å; L476-N478 VanDerWaalsContact C-N 3.3Å; L476-N478 PolarHBondContact O-N 3.37Å; L476-G479 PolarHBondContact O-N 2.87Å; L476-G479 VanDerWaalsContact O-N 3.15Å; L476-I483 HydrophobicContact CD1-CB 4.02Å; L476-I483 HydrophobicContact CD1-CG2 3.56Å; L476-E485 HydrophobicContact CD2-CB 4.14Å; L476-E485 HydrophobicContact CD2-CG 4.4Å
477L69.7Low70.7Confident143 Ų14390 Ų9075%0.74949%0.489SS*.Hα-helixtrans-62.8-34.4176.8-108.173.2000113.1Y473 N474 G479Y473-L477 PolarHBondContact O-N 2.79Å; N474-L477 PolarHBondContact O-N 2.97Å; L477-G479 PolarHBondContact O-N 2.84Å
478N70.3Confident69.8Low139 Ų13991.4 Ų91.474%0.74349%0.493SS*.THydrogen-bonded Turntrans-78.8-0.4177.8-70.8-33.4000113.5N474 G475 L476N474-N478 WeakPolarHBondContact O-CB 3.21Å; N474-N478 PolarHBondContact O-N 3.47Å; N474-N478 PolarHBondContact O-ND2 3.33Å; N474-N478 VanDerWaalsContact O-ND2 3.09Å; G475-N478 PolarHBondContact O-N 3.22Å; L476-N478 VanDerWaalsContact C-N 3.3Å; L476-N478 PolarHBondContact O-N 3.37Å
479G61.4Low69Low64 Ų6491.7 Ų91.766%0.6651%0.508SS*.THydrogen-bonded Turntrans81.718173.300000115.4G475 L476 L477 G481G475-G479 PolarHBondContact O-N 3.31Å; L476-G479 PolarHBondContact O-N 2.87Å; L476-G479 VanDerWaalsContact O-N 3.15Å; L477-G479 PolarHBondContact O-N 2.84Å; G479-G481 PolarHBondContact O-N 3.3Å; G479-G481 VanDerWaalsContact O-N 3.08Å
480D54.9Low68.3Low84 Ų8495.5 Ų95.545%0.44952%0.521SS..  trans-75.297173.1-172.9-7.1000110.7G475 N482 I483G475-D480 PolarHBondContact O-N 3.27Å; D480-N482 PolarHBondContact O-N 3.14Å; D480-N482 VanDerWaalsContact OD1-CB 3.27Å; D480-N482 WeakPolarHBondContact OD1-CB 3.48Å; D480-N482 PolarHBondContact OD1-N 3.47Å; D480-I483 HydrophobicContact CB-CD1 3.89Å; D480-I483 HydrophobicContact CB-CG1 4.15Å; D480-I483 PolarHBondContact O-N 2.87Å
481G59.5Low67.7Low84 Ų8492.4 Ų92.487%0.86651%0.506SS*.THydrogen-bonded Turntrans-65.94.1179.300000115.7G479G479-G481 PolarHBondContact O-N 3.3Å; G479-G481 VanDerWaalsContact O-N 3.08Å
482N61.8Low67.2Low142 Ų14290.7 Ų90.776%0.75950%0.496SS*.THydrogen-bonded Turntrans-97.3-11.5174.7-16130.3000113.2D480D480-N482 PolarHBondContact O-N 3.14Å; D480-N482 VanDerWaalsContact OD1-CB 3.27Å; D480-N482 WeakPolarHBondContact OD1-CB 3.48Å; D480-N482 PolarHBondContact OD1-N 3.47Å
483I60.8Low66.8Low59 Ų5992.6 Ų92.630%0.30352%0.515SS..SBendtrans-89.9123.4-179.2-55.8175.7000109.4Q472 L476 D480Q472-I483 HydrophobicContact CB-CG2 4.45Å; L476-I483 HydrophobicContact CD1-CB 4.02Å; L476-I483 HydrophobicContact CD1-CG2 3.56Å; D480-I483 HydrophobicContact CB-CD1 3.89Å; D480-I483 HydrophobicContact CB-CG1 4.15Å; D480-I483 PolarHBondContact O-N 2.87Å
484K64Low66.3Low184 Ų18489.4 Ų89.480%0.850%0.504SS*.PPolyproline II helixtrans-75.4143175.7-66.4-178.7-179.6178.40110.4
485E63.4Low65.6Low149 Ų14991.7 Ų91.770%0.69652%0.515SS*.PPolyproline II helixtrans-55.4129.2171.5-171.3170.1-159.900110L476 D487L476-E485 HydrophobicContact CD2-CB 4.14Å; L476-E485 HydrophobicContact CD2-CG 4.4Å; E485-D487 PolarHBondContact O-N 3.48Å
486P63.5Low65Low11 Ų1195.4 Ų95.47%0.07154%0.54CS..PPolyproline II helixtrans-67.6131.7-175.125.8-34.2000111.1V469 Y473 E488 V491V469-P486 HydrophobicContact CG1-CB 4.48Å; Y473-P486 HydrophobicContact CD1-CG 4.09Å; Y473-P486 HydrophobicContact CD2-CG 4Å; Y473-P486 HydrophobicContact CE1-CG 3.68Å; Y473-P486 HydrophobicContact CE2-CG 3.59Å; Y473-P486 HydrophobicContact CG-CG 4.23Å; Y473-P486 VanDerWaalsContact CZ-CG 3.42Å; P486-E488 PolarHBondContact O-N 3.43Å; P486-E488 VanDerWaalsContact O-N 3.07Å; P486-V491 HydrophobicContact CB-CG2 4.41Å
487D65.7Low64.5Low125 Ų12595.7 Ų95.767%0.66854%0.542SS*.  trans-51.3115.6-177.9-75.5-48.6000111.5E485 A489 R490 V491E485-D487 PolarHBondContact O-N 3.48Å; D487-A489 PolarHBondContact O-N 3.02Å; D487-R490 HydrophobicContact CB-CB 4.22Å; D487-R490 WeakPolarHBondContact O-CA 3.49Å; D487-R490 WeakPolarHBondContact O-CB 3.29Å; D487-R490 PolarHBondContact O-N 3.25Å; D487-V491 PolarHBondContact O-N 3.49Å; D487-V491 VanDerWaalsContact O-N 3.15Å
488E67.6Low63.8Low126 Ų12694.1 Ų94.159%0.58953%0.53SS*.Hα-helixtrans-51.3-32.5177.5-79.2-156.2121.900112.4P486 V491 K492P486-E488 PolarHBondContact O-N 3.43Å; P486-E488 VanDerWaalsContact O-N 3.07Å; E488-V491 PolarHBondContact O-N 2.81Å; E488-K492 HydrophobicContact CB-CD 4.35Å; E488-K492 VanDerWaalsContact O-CB 3.23Å; E488-K492 WeakPolarHBondContact O-CB 3.42Å; E488-K492 WeakPolarHBondContact O-CD 3.42Å; E488-K492 WeakPolarHBondContact O-CG 3.44Å; E488-K492 PolarHBondContact O-N 3.34Å; E488-K492 IonicContact OE1-NZ 3.38Å; E488-K492 PolarHBondContact OE1-NZ 3.27Å; E488-K492 IonicContact OE2-NZ 3.48Å; E488-K492 PolarHBondContact OE2-NZ 2.77Å
489A66.4Low63Low78 Ų7890.8 Ų90.865%0.64552%0.518SS*.Hα-helixtrans-63.9-39.6176.800000112.4D487 S493D487-A489 PolarHBondContact O-N 3.02Å; A489-S493 VanDerWaalsContact O-CB 3.25Å; A489-S493 WeakPolarHBondContact O-CB 3.17Å; A489-S493 PolarHBondContact O-N 3.15Å
490R67Low62.6Low84 Ų8490.7 Ų90.732%0.31751%0.511SS..Hα-helixtrans-67.6-45.3174.7-172.5-179.9-178.6-159.3-2.9110.4E468 D487 S493 L494E468-R490 IonicContact OE1-CZ 2.71Å; E468-R490 IonicContact OE1-NH1 3.56Å; E468-R490 PolarHBondContact OE1-NH1 2.98Å; E468-R490 IonicContact OE1-NH2 3.59Å; E468-R490 PolarHBondContact OE1-NH2 3.4Å; E468-R490 IonicContact OE2-CZ 2.7Å; E468-R490 IonicContact OE2-NH1 2.84Å; E468-R490 IonicContact OE2-NH2 2.65Å; E468-R490 PolarHBondContact OE2-NH2 3.18Å; D487-R490 HydrophobicContact CB-CB 4.22Å; D487-R490 WeakPolarHBondContact O-CA 3.49Å; D487-R490 WeakPolarHBondContact O-CB 3.29Å; D487-R490 PolarHBondContact O-N 3.25Å; R490-S493 PolarHBondContact O-N 3.13Å; R490-L494 HydrophobicContact CG-CD1 4.3Å; R490-L494 WeakPolarHBondContact O-CG 3.32Å; R490-L494 PolarHBondContact O-N 2.92Å
491V68.7Low62.6Low29 Ų2992.7 Ų92.718%0.17652%0.516CS..Hα-helixtrans-60.6-48.7177.2-172.50000110.9V469 Y473 P486 D487 E488 S493 L494 L495V469-V491 HydrophobicContact CG1-CG2 3.89Å; Y473-V491 HydrophobicContact CE2-CG2 4.49Å; P486-V491 HydrophobicContact CB-CG2 4.41Å; D487-V491 PolarHBondContact O-N 3.49Å; D487-V491 VanDerWaalsContact O-N 3.15Å; E488-V491 PolarHBondContact O-N 2.81Å; V491-S493 VanDerWaalsContact C-N 3.35Å; V491-S493 PolarHBondContact O-N 3.06Å; V491-L494 PolarHBondContact O-N 3.25Å; V491-L495 PolarHBondContact O-N 2.89Å
492K69.7Low62.2Low109 Ų10994.3 Ų94.347%0.47450%0.504SS..Hα-helixtrans-65.3-36178.7-70.6164.3-171.4173.30111.7E488 L495 S496E488-K492 HydrophobicContact CB-CD 4.35Å; E488-K492 VanDerWaalsContact O-CB 3.23Å; E488-K492 WeakPolarHBondContact O-CB 3.42Å; E488-K492 WeakPolarHBondContact O-CD 3.42Å; E488-K492 WeakPolarHBondContact O-CG 3.44Å; E488-K492 PolarHBondContact O-N 3.34Å; E488-K492 IonicContact OE1-NZ 3.38Å; E488-K492 PolarHBondContact OE1-NZ 3.27Å; E488-K492 IonicContact OE2-NZ 3.48Å; E488-K492 PolarHBondContact OE2-NZ 2.77Å; K492-L495 PolarHBondContact O-N 2.9Å; K492-S496 VanDerWaalsContact O-CB 3.31Å; K492-S496 WeakPolarHBondContact O-CB 3.33Å; K492-S496 PolarHBondContact O-N 2.91Å; K492-S496 PolarHBondContact O-OG 2.89Å
493S70.4Confident61.8Low89 Ų8989.1 Ų89.162%0.62248%0.479SS*.Hα-helixtrans-65-39.4173.7-169.20000112.7A489 R490 V491 L495A489-S493 VanDerWaalsContact O-CB 3.25Å; A489-S493 WeakPolarHBondContact O-CB 3.17Å; A489-S493 PolarHBondContact O-N 3.15Å; R490-S493 PolarHBondContact O-N 3.13Å; V491-S493 VanDerWaalsContact C-N 3.35Å; V491-S493 PolarHBondContact O-N 3.06Å; S493-L495 VanDerWaalsContact C-N 3.35Å
494L64.7Low61.3Low19 Ų1991.9 Ų91.910%0.09949%0.494CS..Hα-helixtrans-71.9-28.7176.5-70.4167000112.7T462 Q465 L466 V469 R490 V491T462-L494 HydrophobicContact CG2-CD2 4.44Å; Q465-L494 HydrophobicContact CB-CD1 3.97Å; Q465-L494 HydrophobicContact CB-CD2 3.8Å; L466-L494 HydrophobicContact CD2-CB 3.75Å; L466-L494 HydrophobicContact CD2-CD1 4.17Å; L466-L494 HydrophobicContact CG-CB 4.15Å; L466-L494 HydrophobicContact CG-CD1 4.37Å; V469-L494 HydrophobicContact CG2-CD1 4.21Å; R490-L494 HydrophobicContact CG-CD1 4.3Å; R490-L494 WeakPolarHBondContact O-CG 3.32Å; R490-L494 PolarHBondContact O-N 2.92Å; V491-L494 PolarHBondContact O-N 3.25Å
495L65.7Low60.6Low135 Ų13592 Ų9271%0.70749%0.489SS*.Hα-helixtrans-87-11.3178.4-132.573.5000114.2L466 V491 K492 S493 D497L466-L495 HydrophobicContact CD2-CD1 4.41Å; V491-L495 PolarHBondContact O-N 2.89Å; K492-L495 PolarHBondContact O-N 2.9Å; S493-L495 VanDerWaalsContact C-N 3.35Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.49Å
496S63Low60.1Low88 Ų8888.1 Ų88.162%0.61548%0.479SS*.  trans-9014.7-177.9-610000113.9K492 E498K492-S496 VanDerWaalsContact O-CB 3.31Å; K492-S496 WeakPolarHBondContact O-CB 3.33Å; K492-S496 PolarHBondContact O-N 2.91Å; K492-S496 PolarHBondContact O-OG 2.89Å; S496-E498 PolarHBondContact O-N 3.14Å
497D55.2Low59.3Low68 Ų6893.6 Ų93.636%0.36450%0.502SS..  trans-78.464.3-177.1-163.813.5000112.8L495 S499L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.49Å; D497-S499 PolarHBondContact O-N 3.49Å; D497-S499 VanDerWaalsContact O-N 3.09Å; D497-S499 WeakPolarHBondContact OD1-CB 3.49Å
498E55.5Low58.5Low110 Ų11092.4 Ų92.451%0.51450%0.495SS..THydrogen-bonded Turntrans-64.9-10.6178.9-159.770.4170.400112.5S496 A500 K501S496-E498 PolarHBondContact O-N 3.14Å; E498-A500 PolarHBondContact O-N 3.36Å; E498-K501 HydrophobicContact CG-CD 4.46Å; E498-K501 PolarHBondContact O-N 2.95Å; E498-K501 WeakPolarHBondContact OE1-CD 3.23Å; E498-K501 IonicContact OE1-NZ 2.74Å; E498-K501 PolarHBondContact OE1-NZ 3.2Å; E498-K501 IonicContact OE2-NZ 3.56Å; E498-K501 PolarHBondContact OE2-NZ 3.2Å
499S54.5Low57.8Low70 Ų7091.6 Ų91.649%0.4950%0.499SS..Hα-helixtrans-48.3-30.5174.2-1710000113.9D497 K501 S503D497-S499 PolarHBondContact O-N 3.49Å; D497-S499 VanDerWaalsContact O-N 3.09Å; D497-S499 WeakPolarHBondContact OD1-CB 3.49Å; S499-K501 VanDerWaalsContact C-N 3.32Å; S499-K501 PolarHBondContact O-N 2.93Å; S499-S503 WeakPolarHBondContact O-CB 3.2Å; S499-S503 PolarHBondContact O-N 3.46Å; S499-S503 PolarHBondContact O-OG 2.65Å
500A53Low56.8Low61 Ų6189 Ų8950%0.50448%0.481SS..Hα-helixtrans-61.4-35.1177.300000113.3E498 L504E498-A500 PolarHBondContact O-N 3.36Å; A500-L504 PolarHBondContact O-N 3.46Å
501K53.6Low55.9Low126 Ų12689 Ų8955%0.54849%0.486SS..Hα-helixtrans-79.3-40.6-174.7-67.8175-173140.40112.7E498 S499 L504E498-K501 HydrophobicContact CG-CD 4.46Å; E498-K501 PolarHBondContact O-N 2.95Å; E498-K501 WeakPolarHBondContact OE1-CD 3.23Å; E498-K501 IonicContact OE1-NZ 2.74Å; E498-K501 PolarHBondContact OE1-NZ 3.2Å; E498-K501 IonicContact OE2-NZ 3.56Å; E498-K501 PolarHBondContact OE2-NZ 3.2Å; S499-K501 VanDerWaalsContact C-N 3.32Å; S499-K501 PolarHBondContact O-N 2.93Å; K501-L504 PolarHBondContact O-N 2.57Å
502D51.2Low54.7Low118 Ų11895 Ų9563%0.63152%0.517SS*.Hα-helixtrans-74.3-32.9174.7-76.3-24.1000111.8L504 R505 S506D502-L504 VanDerWaalsContact C-N 3.28Å; D502-L504 PolarHBondContact O-N 3.15Å; D502-R505 PolarHBondContact O-N 3.14Å; D502-S506 PolarHBondContact O-N 2.89Å
503S52.9Low53.5Low33 Ų3393.2 Ų93.223%0.23153%0.53CS..Hα-helixtrans-57.9-38.9171.6-770000112.5K455 S499 S506 F507K455-S503 PolarHBondContact NZ-OG 2.88Å; S499-S503 WeakPolarHBondContact O-CB 3.2Å; S499-S503 PolarHBondContact O-N 3.46Å; S499-S503 PolarHBondContact O-OG 2.65Å; S503-S506 PolarHBondContact O-N 2.93Å; S503-S506 PolarHBondContact O-OG 2.84Å; S503-F507 PolarHBondContact O-N 3.22Å
504L50.7Low52.2Low117 Ų11793 Ų9361%0.61352%0.521SS*.Hα-helixtrans-65-44.1178.2-164.271.9000111.6A500 K501 D502 S506 F507 D508A500-L504 PolarHBondContact O-N 3.46Å; K501-L504 PolarHBondContact O-N 2.57Å; D502-L504 VanDerWaalsContact C-N 3.28Å; D502-L504 PolarHBondContact O-N 3.15Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.79Å; L504-F507 WeakPolarHBondContact O-CB 3.12Å; L504-F507 PolarHBondContact O-N 3.1Å; L504-D508 PolarHBondContact O-N 2.86Å
505R50.1Low51Low187 Ų18799.2 Ų99.271%0.70655%0.554SS**Hα-helixtrans-63-31.7175.3-71.2176.6168.2-102.9-3.5113D502 F507 T509D502-R505 PolarHBondContact O-N 3.14Å; R505-F507 VanDerWaalsContact C-N 3.26Å; R505-F507 PolarHBondContact O-N 3.34Å; R505-T509 PolarHBondContact O-N 3.41Å; R505-T509 PolarHBondContact O-OG1 2.81Å
506S52.5Low49.7Very low67 Ų67102.6 Ų102.647%0.46956%0.558SS.*Hα-helixtrans-72.5-16.3172.778.60000114D502 S503 L504D502-S506 PolarHBondContact O-N 2.89Å; S503-S506 PolarHBondContact O-N 2.93Å; S503-S506 PolarHBondContact O-OG 2.84Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.79Å
507F47.1Very low48.5Very low126 Ų126104 Ų10455%0.55357%0.565SS**Hα-helixtrans-86.3-47-178.9-157-94000111.6S503 L504 R505 G510S503-F507 PolarHBondContact O-N 3.22Å; L504-F507 WeakPolarHBondContact O-CB 3.12Å; L504-F507 PolarHBondContact O-N 3.1Å; R505-F507 VanDerWaalsContact C-N 3.26Å; R505-F507 PolarHBondContact O-N 3.34Å; F507-G510 PolarHBondContact O-N 2.84Å; F507-G510 VanDerWaalsContact O-N 3.1Å
508D48.5Very low47.6Very low101 Ų101106.9 Ų106.954%0.5458%0.581SS.*Hα-helixtrans-61.6-44.2175.9-72.8-32.4000111.9L504 G510 L511L504-D508 PolarHBondContact O-N 2.86Å; D508-G510 PolarHBondContact O-N 2.84Å; D508-L511 WeakPolarHBondContact O-CB 3.34Å; D508-L511 PolarHBondContact O-N 3.49Å
509T52.6Low46.7Very low108 Ų108108.9 Ų108.966%0.66360%0.595SS**THydrogen-bonded Turntrans-66.3-7.3176.849.40000113.9R505R505-T509 PolarHBondContact O-N 3.41Å; R505-T509 PolarHBondContact O-OG1 2.81Å
510G45.1Very low45.9Very low25 Ų25110.8 Ų110.826%0.25860%0.599SS.*THydrogen-bonded Turntrans-98.29.4172.100000115.1R448 F507 D508R448-G510 PolarHBondContact NH2-O 3.34Å; F507-G510 PolarHBondContact O-N 2.84Å; F507-G510 VanDerWaalsContact O-N 3.1Å; D508-G510 PolarHBondContact O-N 2.84Å
511L48.4Very low45.2Very low83 Ų83115.1 Ų115.144%0.43561%0.614SS.*THydrogen-bonded Turntrans-105.4-32.7177.9-73.6167.6000113.6D508 G513 I514D508-L511 WeakPolarHBondContact O-CB 3.34Å; D508-L511 PolarHBondContact O-N 3.49Å; L511-G513 PolarHBondContact O-N 3.13Å; L511-G513 VanDerWaalsContact O-N 3.08Å; L511-I514 HydrophobicContact CD2-CD1 3.93Å; L511-I514 PolarHBondContact O-N 2.96Å
512D45.1Very low44.4Very low154 Ų154116.8 Ų116.882%0.82463%0.629SS**THydrogen-bonded Turntrans-62.1-16.9177.3-71.3-35.5000113.8I514D512-I514 VanDerWaalsContact C-N 3.27Å; D512-I514 PolarHBondContact O-N 3.15Å
513G44.1Very low43.5Very low73 Ų73115 Ų11575%0.75363%0.631SS**THydrogen-bonded Turntrans-74.3-11.4172.200000114.6L511 N515L511-G513 PolarHBondContact O-N 3.13Å; L511-G513 VanDerWaalsContact O-N 3.08Å; G513-N515 PolarHBondContact O-N 3.15Å; G513-N515 VanDerWaalsContact O-N 3.15Å
514I42.2Very low42.7Very low84 Ų84118.9 Ų118.943%0.43166%0.655SS.*  trans-86.285.8178.7-49.3178.1000109L511 D512 W516L511-I514 HydrophobicContact CD2-CD1 3.93Å; L511-I514 PolarHBondContact O-N 2.96Å; D512-I514 VanDerWaalsContact C-N 3.27Å; D512-I514 PolarHBondContact O-N 3.15Å; I514-W516 HydrophobicContact CG2-CG 4.26Å; I514-W516 PolarHBondContact O-N 3.02Å
515N40Very low41.9Very low149 Ų149117.7 Ų117.780%0.79766%0.657SS**  trans-69.778168-175.627.4000110.1G513G513-N515 PolarHBondContact O-N 3.15Å; G513-N515 VanDerWaalsContact O-N 3.15Å
516W38.6Very low41Very low206 Ų206119.4 Ų119.478%0.7867%0.669SS**  trans-52.2127.8168.4-74.780.9000108.6I514 N518I514-W516 HydrophobicContact CG2-CG 4.26Å; I514-W516 PolarHBondContact O-N 3.02Å; W516-N518 PolarHBondContact O-N 3.37Å
517P38Very low40Very low118 Ų118121.7 Ų121.777%0.76668%0.681SS**  trans-63.3104-17824.9-33.1000109.6N519P517-N519 PolarHBondContact O-N 2.94Å
518N36.8Very low39.2Very low129 Ų129122.4 Ų122.469%0.6970%0.696SS**  trans-59.3106.9179.1-179.9-1.5000108.9W516 N520W516-N518 PolarHBondContact O-N 3.37Å; N518-N520 PolarHBondContact O-N 3.38Å; N518-N520 PolarHBondContact OD1-ND2 3.41Å
519N35.8Very low38.3Very low152 Ų152120.3 Ų120.381%0.81370%0.698SS**  trans-75.368.4-173.9-173.917.7000111.2P517P517-N519 PolarHBondContact O-N 2.94Å
520N37.3Very low37.2Very low110 Ų110122.7 Ų122.759%0.58871%0.705SS**  trans-139.8118.2176.8-83.9-71.5000110.3N518N518-N520 PolarHBondContact O-N 3.38Å; N518-N520 PolarHBondContact OD1-ND2 3.41Å
521N38.3Very low36.5Very low151 Ų151126.8 Ų126.881%0.80773%0.73SS**SBendtrans79.8138.8177.4-45-61.2000116.3
522N38Very low35.5Very low161 Ų161129.6 Ų129.686%0.86175%0.75SS**  trans65.660.4173.3-59.7-6.8000117.4P524N522-P524 WeakPolarHBondContact O-CD 3.43Å
523A32Very low34.7Very low81 Ų81130.6 Ų130.667%0.66975%0.748SS**  trans-81.8123.5162.600000111.7S525A523-S525 PolarHBondContact O-N 3.43Å
524P35.9Very low34.1Very low115 Ų115132.6 Ų132.675%0.74775%0.75SS**  trans-83.6100.8161.232.1-29.1000108.9N522 F526N522-P524 WeakPolarHBondContact O-CD 3.43Å; P524-F526 PolarHBondContact O-N 3Å
525S33.2Very low33.8Very low92 Ų92133.3 Ų133.364%0.64377%0.769SS**  trans-66.3112.1-171.4-48.40000112.7A523 T527A523-S525 PolarHBondContact O-N 3.43Å; S525-T527 VanDerWaalsContact C-N 3.31Å; S525-T527 PolarHBondContact O-N 3.21Å
526F31.9Very low33.4Very low222 Ų222135.5 Ų135.597%0.97477%0.771SS**  trans-70.985165.7-94.7-96.7000109.9P524P524-F526 PolarHBondContact O-N 3Å
527T31.9Very low33.2Very low115 Ų115131.7 Ų131.771%0.70677%0.766SS**  trans-112.5130.7179.256.40000112.4S525 G529S525-T527 VanDerWaalsContact C-N 3.31Å; S525-T527 PolarHBondContact O-N 3.21Å; T527-G529 PolarHBondContact O-N 3.06Å
528T30.2Very low33.1Very low142 Ų142132.6 Ų132.687%0.87177%0.77SS**  trans-69126.7172.1-57.40000110.7I530T528-I530 HydrophobicContact CG2-CD1 4.45Å
529G29Very low33.2Very low56 Ų56130.5 Ų130.558%0.57777%0.771SS**  trans173129.7175.800000108.2T527T527-G529 PolarHBondContact O-N 3.06Å
530I29.4Very low33Very low159 Ų159134.1 Ų134.182%0.81577%0.773SS**  cis59.358.623.7-25.3172.8000113T528T528-I530 HydrophobicContact CG2-CD1 4.45Å
531S29.5Very low33.1Very low111 Ų111133.4 Ų133.478%0.77678%0.777SS**  trans-158.9137.4158.6-82.40000112.9
532T28.2Very low33.3Very low141 Ų141134 Ų13487%0.86577%0.774SS**  trans-95.2127.8175.244.60000112.6
533F29Very low33.4Very low176 Ų176132.9 Ų132.977%0.77277%0.773SS**  trans-162.7140.4151.457.9-84.6000108
534S31.6Very low33.4Very low114 Ų114132.2 Ų132.280%0.79778%0.775SS**  cis92.593.423.783.30000115.5
535A35.9Very low33.3Very low100 Ų100131.7 Ų131.783%0.82678%0.78SS**  trans-160.1144.3164.800000107.2
536F31.5Very low33.2Very low194 Ų194136.3 Ų136.385%0.85179%0.791SS**  cis-150.4159.5-2.5-176.5-102.6000110.1
537D33.8Very low33.7Very low126 Ų126131.2 Ų131.267%0.67478%0.783SS**  trans-73.7161.4-172.7-73.1-88.3000116.6
538T36Very low34.3Very low138 Ų138132 Ų13285%0.84779%0.788SS**  -154.8100.5125.4-72.40000111.3
539A38.5Very low34.7Very low85 Ų85131.1 Ų131.170%0.70278%0.784SS**  trans18.4139.214700000120.7
540R32.2Very low35.4Very low227 Ų227135.6 Ų135.686%0.85779%0.794SS**  178.3124.852.5175.2167-178.1146.62.8114.9
541S39.6Very low35.9Very low96 Ų96134.1 Ų134.167%0.67180%0.795SS**  trans57.5143.9149.2-99.60000121.3
542Q41.2Very low35.9Very low163 Ų163135.5 Ų135.576%0.76279%0.793SS**  cis-160155.65.2-142.4165.840.800112.4
543T40.6Very low36.2Very low137 Ų137137.8 Ų137.884%0.8480%0.796SS**  trans71.6122.6168.670.40000119.2
544G31.3Very low36.6Very low68 Ų68134 Ų13470%0.70179%0.792SS**SBendtrans118.274.5154.200000118.4
545A34.8Very low36.6Very low104 Ų104137.5 Ų137.586%0.8680%0.798SS**  trans45.788.3158.300000117.9
546H30.7Very low36.6Very low188 Ų188140.6 Ų140.687%0.8780%0.8SS**  trans-82.1131172-67.5-79000112.5
547S43Very low36.6Very low115 Ų115139.2 Ų139.280%0.80480%0.801SS**  trans-134.8147.7162.4-70.70000108.2
548V45Very low36.6Very low132 Ų132140 Ų14080%0.881%0.81SS**  trans-66.5131.2-168.9-176.30000110.7L550V548-L550 PolarHBondContact O-N 3.02Å
549P37Very low36.7Very low123 Ų123138.8 Ų138.880%0.79981%0.807SS**  trans-76.2106.6-176.329.5-34.2000111.8
550L44.1Very low36.5Very low150 Ų150138.6 Ų138.679%0.78581%0.814SS**  trans-81.6145.3163.3-65171.8000110V548 L552V548-L550 PolarHBondContact O-N 3.02Å; L550-L552 PolarHBondContact O-N 3.45Å
551P40.2Very low36.8Very low129 Ų129131 Ų13184%0.83881%0.805SS**  trans-68.9101.1170.428.7-32.9000109.7M553P551-M553 PolarHBondContact O-N 3.05Å
552L30.6Very low36.6Very low140 Ų140134.2 Ų134.273%0.73382%0.815SS**  trans-90.5104.9-170.8-159.5172.5000110.7L550 S554L550-L552 PolarHBondContact O-N 3.45Å; L552-S554 WeakPolarHBondContact CD2-OG 3.42Å
553M34.4Very low36.5Very low188 Ų188137.7 Ų137.793%0.92682%0.821SS**  trans-104.9118.4160.8-70.3-135.9174.400109.5P551P551-M553 PolarHBondContact O-N 3.05Å
554S36.1Very low36.2Very low98 Ų98140 Ų14069%0.68582%0.82SS**  trans-80.6121.1-164.7-500000113.2L552L552-S554 WeakPolarHBondContact CD2-OG 3.42Å
555M32.2Very low36.6Very low186 Ų186142 Ų14292%0.91682%0.818SS**  trans-83.9114.3161.1-68.5-67.9-179.800109.3
556N36.4Very low36.8Very low165 Ų165143.3 Ų143.388%0.88281%0.811SS**  trans-96.3115.9169-107.6-1.1000109.5
557L30.2Very low37.3Very low166 Ų166140.3 Ų140.387%0.86980%0.798SS**  trans-96.7129.5-174.8-173.576000110.8
558V35.4Very low36.9Very low141 Ų141145 Ų14586%0.85580%0.798SS**  trans-131.9133.4167.1178.60000109.8
559S36.4Very low36.6Very low114 Ų114142.4 Ų142.480%0.79780%0.797SS**  trans-70.4149.8-161.2-51.80000118.1
560G35.5Very low36.8Very low81 Ų81145 Ų14584%0.83580%0.803SS**  trans92.1141.3141.900000117.1
561G38.1Very low36.3Very low66 Ų66145.6 Ų145.668%0.6881%0.806SS**  cis175.6151-5.600000112.6
562D36.1Very low36.1Very low165 Ų165147.1 Ų147.188%0.88281%0.807SS**  trans61.5156.9177.1-57.7-43.8000116.1
563W37.8Very low36.4Very low235 Ų235145.7 Ų145.789%0.8981%0.809SS**  cis-146.2168.517.841.2-79.7000111.9
564K34.9Very low36.3Very low186 Ų186142.1 Ų142.181%0.80980%0.803SS**  trans-98.8152-178.7-65.4176.2178.1174.80112.7
565T39.3Very low36.3Very low109 Ų109145.5 Ų145.567%0.66981%0.813SS**  172.6138.610831.70000114.4
566N39.6Very low36.4Very low132 Ų132140 Ų14071%0.70680%0.804SS**  trans55.5144.7135.1-56.17000121.5
567E40.5Very low36.6Very low126 Ų126141.1 Ų141.159%0.58980%0.801SS**  cis-166.4156.8-6-117.1-174.2174.300113
568R35.9Very low36.8Very low214 Ų214138.7 Ų138.781%0.80880%0.795SS**  trans51.9120.2153.4-57.6174.2-145.3-120.7-8.4120.6
569G38.1Very low37.2Very low76 Ų76141.3 Ų141.378%0.78480%0.795SS**  trans-170.746.917300000119.2
570L40.4Very low37.4Very low177 Ų177140.7 Ų140.793%0.92779%0.789SS**  trans66.5159.5177.1-61.4170.3000116.4
571L33.5Very low37.7Very low163 Ų163147.3 Ų147.385%0.85379%0.79SS**  trans-135.6140.3-167.9-60.9171.2000110.8
572N37.7Very low38.5Very low161 Ų161148.6 Ų148.686%0.86178%0.781SS**  trans-162121.3146.4-104.8-23.6000112.4
573S35Very low39.4Very low111 Ų111145.5 Ų145.578%0.77677%0.77SS**  trans54.693.3151-56.70000121.5
574S33.6Very low39.9Very low113 Ų113141.7 Ų141.779%0.7976%0.76SS**SBendtrans77.2133.9137.1-140.30000120.7
575L35.8Very low40.8Very low169 Ų169137.6 Ų137.689%0.88575%0.747SS**  trans57.446.3165.6-57.3179.4000117.7
576G33.8Very low41Very low71 Ų71136.9 Ų136.973%0.73275%0.747SS**  trans-119.7110.8164.900000112.5
577F40.8Very low41.2Very low188 Ų188137.1 Ų137.183%0.82575%0.748SS**  trans-81.6129.9168.2-79.1-85.5000109.9F579F577-F579 PolarHBondContact O-N 2.86Å
578P35.7Very low41.8Very low115 Ų115134.3 Ų134.375%0.74774%0.737SS**  trans-84.2105.6-175.131.9-33.6000112.1P580P578-P580 WeakPolarHBondContact O-CD 3.49Å
579F42.1Very low42.6Very low195 Ų195129.5 Ų129.586%0.85573%0.734SS**  trans-91.8111.4158-78.5-78.7000109.4F577F577-F579 PolarHBondContact O-N 2.86Å
580P41Very low43.1Very low102 Ų102134.2 Ų134.266%0.66273%0.733SS**  trans-74.2144.8164.932.4-32.8000109.6P578P578-P580 WeakPolarHBondContact O-CD 3.49Å
581Y42.5Very low43.3Very low219 Ų219132.1 Ų132.186%0.85972%0.716SS**  trans65.2110.1-174.4-61.8-88.8000115.5P583Y581-P583 WeakPolarHBondContact O-CD 3.27Å
582D54.8Low43.8Very low93 Ų93129.6 Ų129.650%0.49771%0.712SS.*  trans-65.9121.5150.4174.7-2.2000108.2F584 D585D582-F584 PolarHBondContact O-N 3.27Å; D582-F584 VanDerWaalsContact O-N 3.11Å; D582-F584 PolarHBondContact OD1-N 3.04Å; D582-D585 HydrophobicContact CB-CB 4.02Å
583P54.8Low44Very low101 Ų101131.7 Ų131.766%0.65671%0.714SS**THydrogen-bonded Turntrans-62-14.7178.9-23.134.8000114.7Y581Y581-P583 WeakPolarHBondContact O-CD 3.27Å
584F49.3Very low44.1Very low155 Ų155130.5 Ų130.568%0.6871%0.71SS**THydrogen-bonded Turntrans-107.1-14.7-172.4-58-78000114.2D582 S586 N587 D588D582-F584 PolarHBondContact O-N 3.27Å; D582-F584 VanDerWaalsContact O-N 3.11Å; D582-F584 PolarHBondContact OD1-N 3.04Å; F584-S586 PolarHBondContact O-N 3.25Å; F584-S586 VanDerWaalsContact O-N 3.08Å; F584-N587 PolarHBondContact O-N 2.82Å; F584-D588 PolarHBondContact O-N 2.95Å
585D52.7Low44.1Very low99 Ų99132.5 Ų132.553%0.52971%0.712SS.*THydrogen-bonded Turntrans-70-9.4-173.6-161.635.7000114.6D582 K591D582-D585 HydrophobicContact CB-CB 4.02Å; D585-K591 IonicContact OD1-NZ 2.79Å; D585-K591 PolarHBondContact OD1-NZ 2.85Å
586S42.6Very low44.2Very low94 Ų94133.5 Ų133.566%0.65771%0.713SS**THydrogen-bonded Turntrans-106.7-10.7-179.162.50000115.3F584F584-S586 PolarHBondContact O-N 3.25Å; F584-S586 VanDerWaalsContact O-N 3.08Å
587N44.6Very low44.2Very low138 Ų138139.1 Ų139.174%0.73872%0.717SS**  trans-142.830.3-174.1-79.5-78.6000113.4F584 P589F584-N587 PolarHBondContact O-N 2.82Å; N587-P589 VanDerWaalsContact O-CD 3.27Å; N587-P589 WeakPolarHBondContact O-CD 3.04Å
588D54Low44.1Very low67 Ų67139 Ų13936%0.35872%0.719SS.*  trans-70.3113.6170.2175.28.8000110.8F584 F590 K591F584-D588 PolarHBondContact O-N 2.95Å; D588-F590 PolarHBondContact O-N 2.96Å; D588-F590 VanDerWaalsContact O-N 3.1Å; D588-F590 WeakPolarHBondContact OD1-CB 3.41Å; D588-F590 PolarHBondContact OD1-N 3.13Å; D588-K591 HydrophobicContact CB-CB 4.14Å; D588-K591 HydrophobicContact CB-CD 4.18Å; D588-K591 HydrophobicContact CB-CG 4.29Å; D588-K591 PolarHBondContact O-N 3.31Å; D588-K591 WeakPolarHBondContact OD2-CG 3.48Å
589P51.7Low44.1Very low113 Ų113142.2 Ų142.273%0.73472%0.721SS**THydrogen-bonded Turntrans-720.4-179.432.3-35.8000113.8N587N587-P589 VanDerWaalsContact O-CD 3.27Å; N587-P589 WeakPolarHBondContact O-CD 3.04Å
590F48Very low44Very low175 Ų175141.9 Ų141.977%0.76872%0.722SS**THydrogen-bonded Turntrans-110.1-2.7176.7-58-75.9000113.9D588 S592D588-F590 PolarHBondContact O-N 2.96Å; D588-F590 VanDerWaalsContact O-N 3.1Å; D588-F590 WeakPolarHBondContact OD1-CB 3.41Å; D588-F590 PolarHBondContact OD1-N 3.13Å; F590-S592 PolarHBondContact O-N 2.93Å
591K46.1Very low44Very low132 Ų132141.7 Ų141.757%0.57472%0.723SS**  trans-79.957.1175.4-100.7179.2-172.1-167.30113.5D585 D588 K593D585-K591 IonicContact OD1-NZ 2.79Å; D585-K591 PolarHBondContact OD1-NZ 2.85Å; D588-K591 HydrophobicContact CB-CB 4.14Å; D588-K591 HydrophobicContact CB-CD 4.18Å; D588-K591 HydrophobicContact CB-CG 4.29Å; D588-K591 PolarHBondContact O-N 3.31Å; D588-K591 WeakPolarHBondContact OD2-CG 3.48Å; K591-K593 PolarHBondContact O-N 3.43Å
592S43.3Very low43.6Very low111 Ų111138.1 Ų138.178%0.77672%0.724SS**PPolyproline II helixtrans-67.2120.6168.9590000110.7F590F590-S592 PolarHBondContact O-N 2.93Å
593K42Very low42.9Very low205 Ų205141.7 Ų141.789%0.89174%0.737SS**PPolyproline II helixtrans-54.2139.2176.8-74.9-178.9176.5177.90111.8K591K591-K593 PolarHBondContact O-N 3.43Å
594A36.5Very low42.4Very low85 Ų85141.1 Ų141.170%0.70273%0.729SS**PPolyproline II helixtrans-73.1154.5164.300000111.2
595N34.6Very low42.3Very low156 Ų156139.2 Ų139.283%0.83473%0.732SS**  trans56.986.2166.3-61.2-3.7000117.3
596E37.6Very low41.9Very low190 Ų190143.7 Ų143.789%0.88875%0.747SS**  -142137.5128.4-158138.6-133.900109.7
597F32.7Very low41.8Very low188 Ų188142.3 Ų142.383%0.82574%0.742SS**  trans-115.289.6-160.4-142.2-82.8000110.4
598H39.9Very low41.5Very low186 Ų186143.3 Ų143.386%0.86175%0.746SS**  trans-115.1121.7170.7-98.3-94.9000111.4
599K36.3Very low40.7Very low183 Ų183144.5 Ų144.580%0.79676%0.76SS**  trans-80.1118.9172.2-71.7176.6174.9178.10109.1
600E39.2Very low40.1Very low187 Ų187145.3 Ų145.387%0.87477%0.768SS**  trans-145.6174.4144.8-120.9151.8-149.700109.1
601S40.2Very low39.7Very low98 Ų98141.4 Ų141.469%0.68576%0.759SS**  trans-58.9133.4-156.7370000115.1E603S601-E603 PolarHBondContact O-N 3.3Å
602V34.2Very low39.5Very low144 Ų144142.6 Ų142.687%0.87377%0.771SS**  trans-73.7103.4168.3177.60000108.6
603E41.2Very low40Very low168 Ų168141.8 Ų141.879%0.78576%0.759SS**  trans-109.7116.4162.1-66.3-173161.800107.6S601 P605S601-E603 PolarHBondContact O-N 3.3Å; E603-P605 WeakPolarHBondContact O-CD 3.35Å
604D43.5Very low40.6Very low89 Ų89137.5 Ų137.548%0.47675%0.751SS.*  trans-78117.5-175.9176.7-6.5000109.8F606 A607D604-F606 PolarHBondContact O-N 3.35Å; D604-F606 PolarHBondContact OD1-N 2.98Å; D604-A607 HydrophobicContact CB-CB 3.86Å; D604-A607 PolarHBondContact O-N 3.24Å; D604-A607 VanDerWaalsContact O-N 3.13Å
605P46.4Very low41.3Very low116 Ų116140.8 Ų140.875%0.75375%0.75SS**THydrogen-bonded Turntrans-67.2-1.9-177.728.8-35000114.1E603E603-P605 WeakPolarHBondContact O-CD 3.35Å
606F44.5Very low42.2Very low192 Ų192141 Ų14184%0.84274%0.744SS**THydrogen-bonded Turntrans-117.86.6175.6-64.8-79.4000114.4D604D604-F606 PolarHBondContact O-N 3.35Å; D604-F606 PolarHBondContact OD1-N 2.98Å
607A41.2Very low42.6Very low66 Ų66139.5 Ų139.555%0.54574%0.742SS.*  trans-123.858.9-176.400000114.7D604D604-A607 HydrophobicContact CB-CB 3.86Å; D604-A607 PolarHBondContact O-N 3.24Å; D604-A607 VanDerWaalsContact O-N 3.13Å
608L37.5Very low43.4Very low159 Ų159134.6 Ų134.683%0.83273%0.731SS**  trans-118.7110.7169.7-84.1174.2000113.6
609S38.1Very low44.2Very low91 Ų91130.5 Ų130.564%0.63672%0.715SS**  trans59.4131.4157.159.80000120T611S609-T611 PolarHBondContact O-N 3.46Å
610S39.2Very low45.2Very low131 Ų131127.1 Ų127.192%0.91671%0.712SS**SBendtrans-72.128.3177.8-175.40000115
611T39.7Very low45.6Very low93 Ų93127 Ų12757%0.57171%0.709SS**SBendtrans-147.3135.5-174.849.40000109.4S609S609-T611 PolarHBondContact O-N 3.46Å
612N41.9Very low46.3Very low156 Ų156125 Ų12583%0.83470%0.703SS**  trans77.569-173.7-43.4-37.3000114.3P614N612-P614 WeakPolarHBondContact O-CD 3.46Å
613D54.3Low47.1Very low95 Ų95123.9 Ų123.951%0.50870%0.696SS.*  trans-81.9115.4159.3171.9-4.6000108.5F615 K616D613-F615 VanDerWaalsContact C-N 3.26Å; D613-F615 PolarHBondContact O-N 3.01Å; D613-F615 PolarHBondContact OD1-N 3.43Å; D613-K616 HydrophobicContact CB-CB 4.03Å; D613-K616 HydrophobicContact CB-CD 4.25Å; D613-K616 PolarHBondContact OD1-N 2.91Å; D613-K616 WeakPolarHBondContact OD2-CB 3.43Å
614P54.7Low47.3Very low114 Ų114120.5 Ų120.574%0.7468%0.684SS**THydrogen-bonded Turntrans-73.6-9.2-175.3-17.332.4000115.3N612N612-P614 WeakPolarHBondContact O-CD 3.46Å
615F49.9Very low47.8Very low155 Ų155121.1 Ų121.168%0.6869%0.693SS**THydrogen-bonded Turntrans-117.6-2.1-173.4-64.7-78.9000113.6D613 D617 S618D613-F615 VanDerWaalsContact C-N 3.26Å; D613-F615 PolarHBondContact O-N 3.01Å; D613-F615 PolarHBondContact OD1-N 3.43Å; F615-D617 PolarHBondContact O-N 3.39Å; F615-D617 VanDerWaalsContact O-N 3.12Å; F615-S618 CarbonylContact O-C 3.59Å; F615-S618 PolarHBondContact O-N 3.26Å
616K55Low48Very low161 Ų161124.3 Ų124.370%0.770%0.695SS**THydrogen-bonded Turntrans-57.9-29.5-174.4-152.1168.4-175.2173.40115.2D613D613-K616 HydrophobicContact CB-CB 4.03Å; D613-K616 HydrophobicContact CB-CD 4.25Å; D613-K616 PolarHBondContact OD1-N 2.91Å; D613-K616 WeakPolarHBondContact OD2-CB 3.43Å
617D46Very low47.8Very low158 Ų158116.9 Ų116.985%0.84567%0.672SS**THydrogen-bonded Turntrans-104.511.3-177.2-59.3-30.3000112.5F615F615-D617 PolarHBondContact O-N 3.39Å; F615-D617 VanDerWaalsContact O-N 3.12Å
618S48.1Very low47.6Very low85 Ų85122.5 Ų122.559%0.59469%0.692SS**  trans-157.483.5-177.4-70.30000113.3F615 P620F615-S618 CarbonylContact O-C 3.59Å; F615-S618 PolarHBondContact O-N 3.26Å; S618-P620 WeakPolarHBondContact O-CD 3.23Å
619D56.7Low47.5Very low100 Ų100120.1 Ų120.154%0.53569%0.689SS.*  trans-76.3114.2162.9178.4-0.4000109.8F621 G622D619-F621 PolarHBondContact O-N 3.26Å; D619-F621 VanDerWaalsContact O-N 3.15Å; D619-F621 PolarHBondContact OD1-N 2.95Å; D619-G622 VanDerWaalsContact CG-N 3.27Å; D619-G622 PolarHBondContact O-N 3.38Å; D619-G622 PolarHBondContact OD1-N 3.47Å; D619-G622 WeakPolarHBondContact OD2-CA 3.41Å; D619-G622 PolarHBondContact OD2-N 3.05Å
620P57.6Low47.4Very low111 Ų111126.6 Ų126.672%0.72170%0.701SS**THydrogen-bonded Turntrans-71.5-2.4-179.531.3-35.7000114.3S618S618-P620 WeakPolarHBondContact O-CD 3.23Å
621F48Very low47.3Very low186 Ų186128.1 Ų128.182%0.81670%0.698SS**THydrogen-bonded Turntrans-119.6-1174-58.7-76.5000113.3D619 V623D619-F621 PolarHBondContact O-N 3.26Å; D619-F621 VanDerWaalsContact O-N 3.15Å; D619-F621 PolarHBondContact OD1-N 2.95Å; F621-V623 VanDerWaalsContact C-N 3.33Å; F621-V623 PolarHBondContact O-N 3.32Å
622G54.7Low47Very low54 Ų54133.1 Ų133.156%0.55772%0.717SS**SBendtrans-81.6-4.3-176.700000115.2D619D619-G622 VanDerWaalsContact CG-N 3.27Å; D619-G622 PolarHBondContact O-N 3.38Å; D619-G622 PolarHBondContact OD1-N 3.47Å; D619-G622 WeakPolarHBondContact OD2-CA 3.41Å; D619-G622 PolarHBondContact OD2-N 3.05Å
623V50.9Low46.9Very low121 Ų121130 Ų13073%0.73371%0.713SS**SBendtrans-108.4110.9-179.6-171.50000109.6F621F621-V623 VanDerWaalsContact C-N 3.33Å; F621-V623 PolarHBondContact O-N 3.32Å
624D46.3Very low46.1Very low98 Ų98135.2 Ų135.252%0.52473%0.731SS.*  trans-60.9124.1174-179.2-9000110.2F626 G627D624-F626 PolarHBondContact O-N 2.82Å; D624-F626 WeakPolarHBondContact OD1-CD2 3.39Å; D624-F626 PolarHBondContact OD1-N 3.48Å; D624-G627 PolarHBondContact O-N 3.21Å
625P53.8Low45.3Very low102 Ų102137.8 Ų137.866%0.66274%0.739SS**THydrogen-bonded Turntrans-62.7-6.6177.726.3-35.2000114.7
626F49.3Very low44.7Very low183 Ų183139.7 Ų139.780%0.80375%0.747SS**THydrogen-bonded Turntrans-100.9-0.8171.6-60.1-79.4000113.9D624 L628D624-F626 PolarHBondContact O-N 2.82Å; D624-F626 WeakPolarHBondContact OD1-CD2 3.39Å; D624-F626 PolarHBondContact OD1-N 3.48Å; F626-L628 PolarHBondContact O-N 3.21Å
627G42Very low43.9Very low35 Ų35141.9 Ų141.936%0.36176%0.756SS.*  trans-87.280.6-176.800000114.9D624 S629D624-G627 PolarHBondContact O-N 3.21Å; G627-S629 PolarHBondContact O-N 3.48Å; G627-S629 PolarHBondContact O-OG 3.5Å; G627-S629 VanDerWaalsContact O-OG 3.06Å
628L37Very low43.4Very low185 Ų185139.5 Ų139.597%0.96975%0.752SS**  trans-56.291.2176.9-84.4167.7000113.8F626F626-L628 PolarHBondContact O-N 3.21Å
629S34.2Very low42.7Very low109 Ų109141 Ų14176%0.76276%0.76SS**  trans-135.436.3-172.2-50.60000113.6G627G627-S629 PolarHBondContact O-N 3.48Å; G627-S629 PolarHBondContact O-OG 3.5Å; G627-S629 VanDerWaalsContact O-OG 3.06Å
630Y35.8Very low41.6Very low226 Ų226143.9 Ų143.989%0.88678%0.775SS**  trans-136.652.9-172.1-149.5-93.6000115.2
631L36.5Very low40.4Very low164 Ų164145 Ų14586%0.85978%0.78SS**  trans-153.735.4169.3-121.2164.8000114.8
632M35Very low39.8Very low197 Ų197143.4 Ų143.497%0.9778%0.778SS**  trans-131.274.8177.5-79.5-68.5172.300112.1
633A38.6Very low38.7Very low91 Ų91145.4 Ų145.475%0.75279%0.79SS**  trans-144.799.7175.200000112.9
634K37.7Very low38Very low204 Ų204144.4 Ų144.489%0.88779%0.788SS**  trans60.5100160.8-54.4170.9-173.9169.60116.7
635D37.4Very low37.4Very low168 Ų168144.7 Ų144.790%0.89881%0.805SS**  -146.6162.6105.2-135.4-29000112.3
636K39Very low36.6Very low195 Ų195148.7 Ų148.785%0.84881%0.812SS**  trans-114.9101.5-171.2-71.5-175.9177.9-1780113.3
637K37.6Very low36.5Very low208 Ų208145.3 Ų145.390%0.90480%0.802SS**  trans-157.9162.7149.8-117163-174.2177.40114
638S35.5Very low36.5Very low107 Ų107147.9 Ų147.975%0.74881%0.812SS**  trans-58.1156-169.543.20000115.5
639P33Very low36.5Very low118 Ų118147.7 Ų147.777%0.76680%0.804SS**  trans-78.8164.1-169.434.3-38.4000113.7
640N34.4Very low36.9Very low160 Ų160150.1 Ų150.186%0.85680%0.801SS**  trans-144.8121.8154.9-113.1-12.3000110.1
641T32.3Very low37.1Very low135 Ų135145.4 Ų145.483%0.82880%0.798SS**  trans-83.2118.4177.9-58.40000109.6
642I34.5Very low37.2Very low151 Ų151144.2 Ų144.277%0.77479%0.793SS**  trans-13395.5164.6-55-178.9000108.7
643A31.8Very low37.4Very low97 Ų97139.7 Ų139.780%0.80278%0.78SS**  trans-86.4126.7158.700000108.1
644S36.4Very low37.4Very low99 Ų99141.4 Ų141.469%0.69278%0.781SS**  trans-157.874.9170.1-177.50000110.6F646S644-F646 PolarHBondContact O-N 2.82Å
645A34.4Very low37.2Very low105 Ų105137.9 Ų137.987%0.86878%0.78SS**  trans-79.6111.8161.400000108.2
646F35.7Very low37.1Very low186 Ų186134.8 Ų134.882%0.81677%0.77SS**  trans-147.379.5175.2-135.8-80.6000109.5S644S644-F646 PolarHBondContact O-N 2.82Å
647D46.8Very low37.1Very low111 Ų111131.9 Ų131.959%0.59477%0.769SS**  trans-105.5107.3169.81791.2000108.3F649D647-F649 PolarHBondContact OD1-N 2.79Å; D647-F649 VanDerWaalsContact OD1-N 3.17Å
648P42.6Very low37.2Very low89 Ų89127.7 Ų127.758%0.57876%0.76SS**  trans-89.512.8-175.133.8-32.4000114.7
649F37.6Very low37.4Very low182 Ų182129.9 Ų129.980%0.79876%0.763SS**  trans-135.757.4-173.1-68.7-68.9000116.1D647D647-F649 PolarHBondContact OD1-N 2.79Å; D647-F649 VanDerWaalsContact OD1-N 3.17Å
650K42.3Very low37.5Very low159 Ų159129.1 Ų129.169%0.69176%0.757SS**  trans-125.9119.8166.5-84.3-164.6171.8-167.30114.4
651P40.3Very low37.6Very low127 Ų127129.3 Ų129.383%0.82575%0.753SS**  trans-107.195.9168.935.7-26000112.4
652D38.8Very low37.7Very low140 Ų140129.3 Ų129.375%0.74975%0.748SS**  trans-103.8147163.2-64.9-52.2000107.6
653S38.8Very low37.7Very low102 Ų102127.1 Ų127.171%0.71375%0.746SS**  cis-158.1144.91.4177.60000111.5
654V38.7Very low37.8Very low126 Ų126129.5 Ų129.576%0.76475%0.745SS**  trans31.5127.1151.1-177.80000121.2
655C33.8Very low37.8Very low130 Ų130132 Ų13288%0.87875%0.749SS**  trans-142.5127.8145.8-150.30000110.3
656P35.2Very low37.7Very low103 Ų103130.7 Ų130.767%0.66975%0.746SS**  trans-102.5148.7-170.837-33.9000114.6
657T39.2Very low37.8Very low135 Ų135126.4 Ų126.483%0.82874%0.744SS**  trans-174.5121.9151.1-84.90000113.1
658V39.2Very low37.2Very low119 Ų119128.2 Ų128.272%0.72175%0.754SS**  trans49.9103.9148.2-175.50000121.1
659L38.6Very low36.7Very low154 Ų154132.4 Ų132.481%0.80676%0.764SS**  32.5156119.2-53.4174.1000122
660P36.9Very low36.5Very low101 Ų101127.3 Ų127.366%0.65676%0.763SS**  cis-143.1-170.6-40.741.1-23.2000113.9
661E34.7Very low36.1Very low165 Ų165123.8 Ų123.877%0.77176%0.763SS**  trans81.1147.5148.7-95.9-174.8-131.300123
662N35.1Very low36Very low134 Ų134122.7 Ų122.772%0.71775%0.754SS**  trans7481.9155.1-60.9-37.9000122.1
663S35.4Very low35.8Very low106 Ų106126 Ų12674%0.74176%0.762SS**  95.9142.5110.5-152.70000121.4
664L33Very low35.4Very low146 Ų146124.7 Ų124.776%0.76476%0.764SS**  trans73.8108.9150.3-128.769.9000121.4
665I37Very low35.5Very low152 Ų152124.3 Ų124.378%0.77977%0.765SS**  trans49.2107.8142.1-78.656.7000118.6
666G31.1Very low35.6Very low78 Ų78124 Ų12480%0.80476%0.764SS**  60.2102.8116.300000120.1
667A39.2Very low35.6Very low95 Ų95126.5 Ų126.579%0.78577%0.772SS**  trans-137.1147.5153.300000110.4
668D33.8Very low35.4Very low150 Ų150123.7 Ų123.780%0.80277%0.77SS**  trans-69.6151.7177.4-170.2-8.9000111.3G670D668-G670 PolarHBondContact OD1-N 3.46Å
669F31.6Very low35.2Very low176 Ų176125.5 Ų125.577%0.77277%0.77SS**  trans-131.528.8179.6-114.9-77000114.5A671F669-A671 PolarHBondContact O-N 3.32Å
670G33.1Very low34.8Very low76 Ų76123.8 Ų123.878%0.78476%0.761SS**  trans-67.256.6166.600000114.9D668D668-G670 PolarHBondContact OD1-N 3.46Å
671A35.3Very low34.7Very low84 Ų84123.2 Ų123.269%0.69476%0.76SS**  trans-152.248.9-174.400000115.6F669F669-A671 PolarHBondContact O-N 3.32Å
672V38Very low34.5Very low105 Ų105122.9 Ų122.964%0.63676%0.763SS**SBendtrans-133.4136.2164.9-161.80000109.8
673F33.3Very low34.5Very low209 Ų209125 Ų12592%0.91777%0.771SS**  trans68.480-177.1-54.8-68.9000116.8
674G31.8Very low34.7Very low74 Ų74125.4 Ų125.476%0.76377%0.769SS**  trans-120137.9152.700000109.3
675P40Very low35Very low119 Ų119124 Ų12477%0.77376%0.762SS**  trans-105157.3-153.638.7-36.1000116.1
676S35.8Very low35.2Very low122 Ų122122 Ų12285%0.85376%0.759SS**  trans-105.4131.1161.744.10000110.4
677N35.6Very low35.4Very low157 Ų157127.5 Ų127.584%0.8476%0.761SS**  trans-92.5149.7179.9-66.1-48.6000111.4
678G34.2Very low35.2Very low76 Ų76125.3 Ų125.378%0.78475%0.748SS**  trans-162.495.5174.600000111.6
679E35.3Very low35.7Very low156 Ų156123.8 Ų123.873%0.72975%0.749SS**  trans-71.1167171.4-65.4173.693.100110.5
680L31Very low36.3Very low119 Ų119121.4 Ų121.462%0.62374%0.744SS**  cis-164.4158.232-166.677.3000112.6I143I143-L680 HydrophobicContact CD1-CB 3.94Å; I143-L680 HydrophobicContact CD1-CD2 4.31Å
681S33.9Very low36.8Very low89 Ų89123 Ų12362%0.62274%0.741SS**  trans66.7122.5148.455.50000123.2
682N31.4Very low36.9Very low158 Ų158127.5 Ų127.585%0.84575%0.745SS**  trans58.2100.1136.5-61.2-3.4000121.2
683M35.6Very low37.2Very low178 Ų178128.7 Ų128.788%0.87775%0.753SS**  -155.8136109.5-110.7-17377.400113.6
684T38.1Very low37.8Very low114 Ų114125.1 Ų125.170%0.69975%0.75SS**  trans24122.3154-44.30000121.5
685D39.8Very low37.8Very low117 Ų117126.6 Ų126.663%0.62675%0.749SS**  trans-59.2126.9163.3166.825.8000113F687 G688D685-F687 PolarHBondContact OD1-N 3.04Å; D685-G688 PolarHBondContact OD1-N 2.76Å; D685-G688 PolarHBondContact OD2-N 3.32Å
686P41.9Very low37.7Very low110 Ų110126 Ų12671%0.71475%0.748SS**SBendtrans-99.73.4177.637.9-33.6000115.8
687F35.4Very low37.7Very low194 Ų194126 Ų12685%0.85174%0.743SS**  trans-130.917.8-176.3-80.6-69.3000116D685D685-F687 PolarHBondContact OD1-N 3.04Å
688G33.7Very low37.6Very low48 Ų48123.4 Ų123.450%0.49574%0.737SS.*  trans-64.8145.7163.800000113.7D685D685-G688 PolarHBondContact OD1-N 2.76Å; D685-G688 PolarHBondContact OD2-N 3.32Å
689S45.7Very low37.7Very low118 Ų118128.3 Ų128.383%0.82574%0.737SS**  trans90.889.1170.3-44.60000118.3
690D44Very low38Very low127 Ų127128.5 Ų128.568%0.67974%0.74SS**  trans-54.8127.1151.9170.910.5000110.7F692D690-F692 VanDerWaalsContact C-N 3.27Å; D690-F692 PolarHBondContact O-N 3.1Å
691P43.5Very low38.4Very low109 Ų109130.8 Ų130.871%0.70875%0.749SS**SBendtrans-78.120.1-167.830.9-36.8000116.8
692F36.7Very low38.3Very low179 Ų179134 Ų13479%0.78576%0.759SS**  trans-132.246.1-171-71.2-70000118D690D690-F692 VanDerWaalsContact C-N 3.27Å; D690-F692 PolarHBondContact O-N 3.1Å
693T43.6Very low38.6Very low130 Ų130132.7 Ų132.780%0.79876%0.757SS**  trans-136.1135.7158.5530000113.9
694P46.8Very low38.5Very low134 Ų134127.2 Ų127.287%0.8775%0.746SS**  trans-89.7154.7-17734.7-35.3000114.6
695S31.3Very low38.6Very low105 Ų105131 Ų13173%0.73476%0.758SS**  trans-88.7150.6-170.4179.70000115.8
696S38.5Very low38.5Very low107 Ų107129.1 Ų129.175%0.74876%0.759SS**  trans-163.6108.2147-74.30000108.2
697T36.4Very low38.4Very low122 Ų122130.6 Ų130.675%0.74876%0.761SS**  49.3129.984.966.80000113.7
698S33.6Very low38.5Very low101 Ų101127.1 Ų127.171%0.70675%0.751SS**  cis-160.4167.616.4-156.60000112.4
699F35.6Very low38.8Very low180 Ų180134.6 Ų134.679%0.78976%0.764SS**  trans7.2150.6150.2-72.3-121.5000119.2
700M40.8Very low38.2Very low160 Ų160136.3 Ų136.379%0.78876%0.759SS**  cis-162.3-164.238.1-150.1147.1-179.700114.6
701M39.8Very low38.1Very low167 Ų167135.7 Ų135.782%0.82376%0.755SS**  trans-78.6162.6-160.7-66.1170.5170.600118.1
702N31.5Very low37.8Very low156 Ų156138.8 Ų138.883%0.83476%0.757SS**  trans-32171160.7-168.430000118.9
703T38.1Very low37.8Very low130 Ų130136.8 Ų136.880%0.79876%0.755SS**  trans89.9136.2-176.5-370000112.5
704G34.4Very low37.6Very low63 Ų63138.4 Ų138.465%0.64975%0.753SS**  cis149.7144.8-400000110.9
705M38.8Very low37.3Very low194 Ų194138.3 Ų138.396%0.95675%0.75SS**  trans69.4126.3175.1-68.7-173.2158.700120.3
706A38.8Very low37.7Very low77 Ų77139.4 Ų139.464%0.63676%0.758SS**  67.7106.3127.100000122.7
707N39.3Very low37.7Very low141 Ų141138.7 Ų138.775%0.75475%0.753SS**  78.8128.7115.8-60.2-10000122.7
708N38.1Very low37.9Very low121 Ų121140.2 Ų140.265%0.64776%0.761SS**  trans70.3118.5140.3-78.9-41.2000121.1
709R38.5Very low38.1Very low206 Ų206144.1 Ų144.178%0.77777%0.766SS**  70.7148.6129.3-65.7-178.3-155.8-1682.8118.4
710E34Very low38.5Very low153 Ų153145.9 Ų145.972%0.71577%0.773SS**  cis-173.2-171.2-14.7-175.7179157.400106.5
711I41.1Very low38.7Very low114 Ų114143.6 Ų143.659%0.58577%0.773SS**  trans78.197.4155.3-54-175.9000117.9
712K38.1Very low39.6Very low175 Ų175141.2 Ų141.276%0.76177%0.77SS**  trans66.6156.9140.6-60.8169.1-163.3154.30118.7
713N36.9Very low41Very low137 Ų137139.6 Ų139.673%0.73377%0.768SS**  cis-174.6-169.5-36.2-105-12.3000106.7
714H39.6Very low41.7Very low163 Ų163139.5 Ų139.576%0.75577%0.77SS**  trans82.181172.6-49.2-74.6000115.4
715T39.4Very low42.3Very low132 Ų132147.6 Ų147.681%0.8178%0.781SS**  73.799.276.566.30000116.6
716S39.8Very low43.1Very low129 Ų129144.4 Ų144.490%0.90277%0.774SS**  trans-149.4162.313463.10000108.8
717S38.4Very low43.3Very low92 Ų92150.6 Ų150.664%0.64379%0.787SS**  trans-144.1130.6-160.5137.70000114.1
718V41.5Very low43.4Very low153 Ų153150.3 Ų150.393%0.92779%0.79SS**  trans-128132.4159-178.70000108.3
719K37.2Very low43.6Very low183 Ų183153.8 Ų153.880%0.79680%0.803SS**  trans-112.6139.9-170.6-63.2177.5-179.5175.90112.5
720K44.5Very low43.8Very low217 Ų217149 Ų14994%0.94380%0.798SS**  trans-144.8151.7148.7-102.8174.7-179.21770108.7
721S45.6Very low44Very low112 Ų112148 Ų14878%0.78380%0.802SS**  trans-124.3151-152.2490000115.1
722P57.5Low44.3Very low117 Ų117148.4 Ų148.476%0.7681%0.813SS**PPolyproline II helixtrans-87.5161.6176.936.2-36000113.9
723P61.5Low44.4Very low123 Ų123143.7 Ų143.780%0.79981%0.814SS**PPolyproline II helixtrans-81.8163.7177.633.4-35.5000114.3
724P52.2Low44.8Very low128 Ų128146.8 Ų146.883%0.83182%0.821SS**PPolyproline II helixtrans-103.6169.7-162.439.8-36.8000116.5
725R46.9Very low44.9Very low233 Ų233143.7 Ų143.788%0.87982%0.817SS**  trans-115.6139.6173-162.3-176-150-141.27.3111.3
726P55.4Low45Very low126 Ų126144.1 Ų144.182%0.81881%0.813SS**  trans-68.2168.4174.7-21.334.5000114.6
727K43.9Very low45.1Very low208 Ų208148.4 Ų148.490%0.90481%0.81SS**  trans-105.9165.3-166.6-65.2-178.4179.9178.40114.9
728T40.4Very low45.2Very low135 Ų135147.9 Ų147.983%0.82881%0.811SS**  trans-87.4152.9-178.250.50000115
729Q44.2Very low45.1Very low194 Ų194150 Ų15091%0.90781%0.808SS**  trans-157.4153.2144.9-124.1176.7-5.700112.4
730P41.1Very low45.1Very low104 Ų104149.6 Ų149.668%0.67581%0.806SS**  trans-131.4160.8-168.442-26.4000118.1
731T38.7Very low44.8Very low132 Ų132142.5 Ų142.581%0.8179%0.788SS**  trans67.4168.715457.40000119.7
732P47Very low44.5Very low124 Ų124142.5 Ų142.581%0.80578%0.783SS**  -139.1166.5-53.139.9-24.9000114.8
733G41.8Very low43.7Very low76 Ų76143.4 Ų143.478%0.78478%0.781SS**  trans-175.2136.1168.700000119.1
734K45Very low42.7Very low202 Ų202144.4 Ų144.488%0.87878%0.78SS**  trans-44.6167175.1-74.398.8173.6-1770116.9
735S40.5Very low42Very low97 Ų97145.6 Ų145.668%0.67878%0.779SS**  cis-169.4166.430.3-139.40000116.4
736I42.9Very low41.7Very low141 Ų141138.9 Ų138.972%0.72377%0.768SS**  trans70.2112.1152-69.1159.7000117
737R40.2Very low40.8Very low220 Ų220139.7 Ų139.783%0.8377%0.765SS**  91.613762.3-177.4-163.6-71.8-174.3-3.3111.2
738A42Very low40.3Very low80 Ų80138.6 Ų138.666%0.66176%0.761SS**  cis-136.5162.319.200000111.9
739F37.7Very low40.2Very low198 Ų198137.6 Ų137.687%0.86876%0.757SS**  48.6138.469.3-46.8-71.4000115.4
740K39Very low39.6Very low175 Ų175133.8 Ų133.876%0.76175%0.747SS**  cis-151.9173.4-6.2-151.1-143162.4-160.60105.5
741A38.1Very low39.2Very low68 Ų68134 Ų13456%0.56275%0.751SS**  cis-142.3-172.710.500000109.9
742V38.1Very low39.1Very low111 Ų111134 Ų13467%0.67375%0.75SS**  cis80.714724.4-154.20000116
743D41.8Very low38.5Very low136 Ų136135.7 Ų135.773%0.72775%0.747SS**  trans7998.1-174.1-48.3-11.8000114
744D40.6Very low38.1Very low145 Ų145137.6 Ų137.678%0.77575%0.746SS**  80.8106.770.9-81-8.8000115.1
745N36.7Very low37.8Very low153 Ų153132.3 Ų132.382%0.81874%0.74SS**  -179.4148.6111.9-103-75.5000117
746S39.8Very low37.2Very low91 Ų91134.4 Ų134.464%0.63674%0.743SS**  trans63.3123.4143.4640000125
747N37.3Very low36.7Very low144 Ų144137.5 Ų137.577%0.7775%0.752SS**  trans80.8104.3134.6-61.1-6.6000122.8
748F33.1Very low36.3Very low184 Ų184135.3 Ų135.381%0.80775%0.751SS**  2157.3115.2-65.3-81.2000119.1
749P39.5Very low35.9Very low115 Ų115134.9 Ų134.975%0.74775%0.754SS**  cis-123.8167.621.417.98.6000113.7
750T31.3Very low35.6Very low114 Ų114132.4 Ų132.470%0.69975%0.75SS**  59.8108.662.9-43.90000115
751S32.3Very low35.1Very low109 Ų109134.3 Ų134.376%0.76276%0.759SS**  trans44.4123.9157.3-166.90000120.2
752V36Very low34.9Very low130 Ų130137.2 Ų137.279%0.78877%0.77SS**  trans-167133.7130.4132.50000111.9
753H34.2Very low34.5Very low160 Ų160138.8 Ų138.874%0.74178%0.775SS**  trans53.9138.7160.2-90.3-100.2000123.6
754P34.8Very low33.8Very low116 Ų116143.2 Ų143.275%0.75379%0.788SS**  trans-72.8144.6144.734.6-31.7000109.6
755A36.9Very low33.4Very low92 Ų92142.1 Ų142.176%0.7678%0.782SS**  trans-126.411517300000109.5F757A755-F757 PolarHBondContact O-N 3.46Å
756N28.8Very low33.2Very low140 Ų140141.9 Ų141.975%0.74978%0.781SS**  trans-60.1130.4162.6-64.2-15.4000107.7E758N756-E758 HydrophobicContact CB-CG 4.37Å
757F33.3Very low32.8Very low207 Ų207143.7 Ų143.791%0.90879%0.793SS**  trans-9998.1150-125.7-85.4000106.6A755 G759A755-F757 PolarHBondContact O-N 3.46Å; F757-G759 PolarHBondContact O-N 2.82Å
758E30.6Very low32.6Very low174 Ų174142.1 Ų142.181%0.81379%0.793SS**  trans-62.5129.7167.8-67.7171.5128.500107.9N756N756-E758 HydrophobicContact CB-CG 4.37Å
759G34.6Very low32.6Very low70 Ų70138.3 Ų138.372%0.72279%0.79SS**  trans-161.495.9-172.800000108.6F757F757-G759 PolarHBondContact O-N 2.82Å
760D31.1Very low32.3Very low146 Ų146141 Ų14178%0.78180%0.797SS**  trans-54.4151.2-154.9-76.3-60.9000117.8T762D760-T762 PolarHBondContact O-N 3.21Å
761F27.4Very low32.1Very low216 Ų216143.8 Ų143.895%0.94781%0.806SS**  trans-43.9105.9156-85-101.9000111.3
762T34.8Very low31.9Very low128 Ų128144 Ų14479%0.78581%0.808SS**  trans-133.7140.1164.245.70000110.8D760D760-T762 PolarHBondContact O-N 3.21Å
763N29Very low31.8Very low145 Ų145144.5 Ų144.578%0.77581%0.812SS**  trans-69.4134.4-171.5-69.7-78.2000112.1N765N763-N765 HydrophobicContact CB-CB 3.98Å; N763-N765 PolarHBondContact O-N 2.9Å
764F28.6Very low31.6Very low228 Ų228144.8 Ų144.8100%182%0.818SS**SBendtrans-7672.1149.9-103-79.7000109.6
765N31.7Very low31.5Very low123 Ų123143.7 Ų143.766%0.65882%0.818SS**  trans-150.8136.3172.5-141-11.9000109.5N763N763-N765 HydrophobicContact CB-CB 3.98Å; N763-N765 PolarHBondContact O-N 2.9Å
766N32Very low31.4Very low148 Ų148145.7 Ų145.779%0.79182%0.821SS**  trans67.498.6179.4-60.2-36.2000119.2
767S31.2Very low31.8Very low129 Ų129145.1 Ų145.190%0.90282%0.823SS**  trans-158128.9135.8-810000107.5
768S34.1Very low32Very low110 Ų110140.9 Ų140.977%0.76982%0.816SS**SBendcis-150.9174.412.959.90000113
769S33Very low32.2Very low105 Ų105137.5 Ų137.573%0.73481%0.811SS**  trans75.7100.6169.267.80000120.1
770L31.8Very low32.3Very low171 Ų171145.6 Ų145.690%0.89582%0.82SS**  trans74.989.7140.3-53.5179.6000120.2
771L27Very low32.4Very low172 Ų172145.8 Ų145.890%0.90182%0.821SS**  trans-122.9157.6140.1-92173.3000110.2
772S29.6Very low32.7Very low113 Ų113146.3 Ų146.379%0.7982%0.817SS**  trans64.9103.9177.869.80000118.1
773T32.9Very low32.7Very low142 Ų142148.1 Ų148.187%0.87181%0.814SS**  -149.3147.4128.3-73.30000108.2
774L29.5Very low33Very low165 Ų165149.3 Ų149.386%0.86481%0.814SS**  trans-69.3157.9-162.9-64.1115.9000116.5
775A32.8Very low33.3Very low93 Ų93143.7 Ų143.777%0.76980%0.804SS**  trans85.5149.7143.600000121.6
776T35Very low33.5Very low134 Ų134144.5 Ų144.582%0.82281%0.813SS**  trans94.280.4158.5-38.30000118.8
777V36.9Very low33.9Very low128 Ų128141.3 Ų141.378%0.77682%0.815SS**  trans-37.7132.9146.3168.80000111.5
778P39.6Very low34Very low119 Ų119138.8 Ų138.877%0.77381%0.809SS**  -149.1157.588.239.5-21000118.8
779S33.8Very low34.3Very low102 Ų102140.5 Ų140.571%0.71381%0.814SS**  trans-73.3151173.6-19.30000113.5
780R37Very low34.5Very low240 Ų240141.8 Ų141.891%0.90682%0.818SS**  172.6114.2122.3-94.3159179.3-1790.6114.9
781N32.6Very low34.9Very low150 Ų150139.7 Ų139.780%0.80282%0.816SS**  60147.7116.3-144.4-6.7000122
782R34.3Very low35.6Very low228 Ų228138.3 Ų138.386%0.8682%0.815SS**  trans76.7153.2179.1-59.4176174162.1-2.9116.2
783K35Very low35.7Very low166 Ų166136.6 Ų136.672%0.72281%0.814SS**  cis149.7128.7-26.6-106-165.7166.4-163.40107.7
784H35.8Very low35.8Very low169 Ų169133.6 Ų133.678%0.78281%0.812SS**  trans65.6145.5177-45.7-68.8000113.3
785S34.8Very low36.1Very low111 Ų111131.7 Ų131.778%0.77681%0.813SS**  cis-147.5153.935.3-171.10000115.2
786V35.7Very low36.3Very low140 Ų140135.1 Ų135.185%0.84882%0.818SS**  trans-14.1132.4157-1730000117.6
787G39.1Very low36.2Very low81 Ų81134 Ų13484%0.83582%0.815SS**  trans-151.6112.415600000109.4
788G34.6Very low36.2Very low75 Ų75135 Ų13577%0.77382%0.815SS**  trans-98.9147.1-175.600000113
789V39.1Very low35.9Very low146 Ų146136.1 Ų136.189%0.88581%0.814SS**  trans-130.3138.6168.1179.80000108.7
790T38.3Very low36.1Very low132 Ų132140.1 Ų140.181%0.8182%0.822SS**  trans-78.4145.8-175.548.40000112.9
791C40.2Very low35.8Very low128 Ų128138.1 Ų138.187%0.86582%0.819SS**  trans-122.3149.5160.546.90000109.8
792V41.5Very low36Very low143 Ų143136.8 Ų136.887%0.86782%0.822SS**  trans-96.3137-161.5-178.80000111.2
793G32.1Very low36.1Very low76 Ų76131.6 Ų131.678%0.78482%0.816SS**  trans-74.2126176.800000112.7
794G35.3Very low36Very low79 Ų79132.8 Ų132.881%0.81482%0.821SS**  trans-116108.3167.700000109.9
795S34.5Very low35.8Very low126 Ų126130.2 Ų130.288%0.88182%0.817SS**  trans-83.1127.9179.4-61.80000110.7
796N38.2Very low35.9Very low165 Ų165132.6 Ų132.688%0.88282%0.821SS**  trans-131.4125.8163.1-105.6-26.7000109
797S32.3Very low35.6Very low109 Ų109137.1 Ų137.176%0.76282%0.823SS**  trans-103.5121-175.4-174.50000110
798I37.2Very low35.6Very low150 Ų150138.9 Ų138.977%0.76982%0.822SS**  trans-126.2116172.6-64.4-178.3000108.1
799N33.4Very low35.7Very low142 Ų142144.9 Ų144.976%0.75983%0.827SS**  trans-73.3127.9175-75.9-74.4000110.5
800Q36.7Very low35.7Very low187 Ų187143.9 Ų143.987%0.87482%0.824SS**  trans-132.1107.2153.4-70.8-166-3.600109.5
801K32.2Very low35.6Very low197 Ų197143.1 Ų143.186%0.85782%0.823SS**  trans-81.5134.8164-71.7-178.7176.7179.30108
802S35.7Very low35.3Very low123 Ų123140.5 Ų140.586%0.8682%0.819SS**  trans-130.7122.3163.2-171.10000108.4
803T35.6Very low35.3Very low118 Ų118143.9 Ų143.972%0.72482%0.821SS**  trans-104.1112.1-167.5-54.70000110.2
804F33.3Very low35.3Very low192 Ų192145.8 Ų145.884%0.84282%0.823SS**  trans-92.3125.9179.5-148.6-89.6000110.7
805T32.7Very low35.5Very low114 Ų114150.4 Ų150.470%0.69983%0.827SS**  trans-139.2109-178.5-18.90000111.6
806L36.5Very low35.5Very low162 Ų162153.2 Ų153.285%0.84882%0.823SS**  trans-135.5133.5161.2-76.3178.3000109.2
807R28.5Very low35.4Very low235 Ų235155 Ų15589%0.88782%0.823SS**  trans-137.9114.4-167.5172.1-161.5174.2-1580110.9
808S39.3Very low35.5Very low118 Ų118156 Ų15683%0.82582%0.82SS**  trans-176.9136.1141.245.90000112.3
809K36.9Very low35.6Very low200 Ų200154.9 Ų154.987%0.8783%0.826SS**  trans-94.2174.5159.2-59.1-179.7179.6179.60108.5
810P39.1Very low35.7Very low126 Ų126156.6 Ų156.682%0.81883%0.829SS**  -143.9176.993.537.3-21.4000115.9
811S37.2Very low35.6Very low115 Ų115155.4 Ų155.480%0.80483%0.829SS**  trans-55.1148.1-179.651.40000117
812G32.9Very low35.8Very low74 Ų74151.3 Ų151.376%0.76383%0.825SS**  trans-93.2-176.916400000114.4
813K41.4Very low35.9Very low213 Ų213151.7 Ų151.793%0.92683%0.825SS**  trans-146.4138.7168.3-97.5179.5177.1175.40110.1
814S32Very low35.9Very low117 Ų117151.2 Ų151.282%0.81883%0.826SS**  trans-82.4153.6179.1-39.50000112.5
815I39.5Very low36Very low175 Ų175146.9 Ų146.990%0.89782%0.82SS**  trans-148.9136.9146.9-100.5149.2000107.8
816K34Very low36.2Very low185 Ų185146.6 Ų146.680%0.80482%0.822SS**  trans-87147.3173.1-60.8-179.8176.5-172.90109.9
817K37Very low36.1Very low202 Ų202143.7 Ų143.788%0.87882%0.816SS**  -165.8155.7120.7-114.4178.8179.5-175.20113.9
818D35.4Very low36.6Very low131 Ų131138.3 Ų138.370%0.70181%0.811SS**  trans-97.3146.7-169.2-31.4-99.2000110.8
819S37.8Very low37.2Very low126 Ų126137 Ų13788%0.88180%0.802SS**  -178144.6126.1-81.30000113.3
820Q36.3Very low37.4Very low178 Ų178133.3 Ų133.383%0.83279%0.791SS**  trans-54.3142.3-179.6-58.4165.4-13.800114.4
821N34.8Very low37.8Very low162 Ų162132.4 Ų132.487%0.86678%0.778SS**  -164.9147.8108.8-105.9-37.9000113.4
822S36.4Very low38.3Very low112 Ų112132.6 Ų132.678%0.78377%0.77SS**  trans-84.8158.8179.7-60.80000112
823P37.2Very low39.2Very low131 Ų131136.8 Ų136.885%0.85177%0.767SS**  trans-91.8152.5-160.135.1-36.5000115.2
824S35.7Very low39.7Very low108 Ų108132.5 Ų132.576%0.75575%0.753SS**  trans-143.4125.7161.155.10000112.8
825S35.7Very low40.6Very low101 Ų101133.9 Ų133.971%0.70675%0.745SS**  trans36.2130.9150.3560000122.7
826S35.8Very low41.1Very low107 Ų107132 Ų13275%0.74874%0.737SS**  trans62.7106143.259.30000120.5
827S35.9Very low41.6Very low102 Ų102130.8 Ų130.871%0.71374%0.735SS**  175.8139.4109.4-78.20000113.3S829S827-S829 PolarHBondContact O-N 3.24Å; S827-S829 VanDerWaalsContact O-N 3.11Å
828P38.6Very low42.1Very low121 Ų121131 Ų13179%0.78674%0.736SS**  trans-85.876.6-176.134.9-36000113.4
829S50.7Low42.5Very low91 Ų91130 Ų13064%0.63674%0.74SS**  trans-100.2-16.8-175.862.50000116.1S827S827-S829 PolarHBondContact O-N 3.24Å; S827-S829 VanDerWaalsContact O-N 3.11Å
830L43.2Very low42.7Very low122 Ų122128.1 Ų128.164%0.63973%0.732SS**SBendtrans-80.5-24-171.8-70.3173000115.1N832 K833 I834L830-N832 VanDerWaalsContact C-N 3.3Å; L830-N832 PolarHBondContact O-N 3.05Å; L830-K833 PolarHBondContact O-N 2.84Å; L830-I834 PolarHBondContact O-N 3.23Å
831I45.6Very low42.5Very low108 Ų108123.8 Ų123.855%0.55474%0.735SS**Hα-helixtrans-58.8-38.3-173.6-68.9172.9000112.4
832N48.8Very low42.5Very low119 Ų119119.4 Ų119.464%0.63673%0.728SS**Hα-helixtrans-75.8-25.5178.5-71.2-8.2000112.9L830 N836L830-N832 VanDerWaalsContact C-N 3.3Å; L830-N832 PolarHBondContact O-N 3.05Å; N832-N836 PolarHBondContact O-N 3.06Å
833K51.2Low42.5Very low161 Ų161118 Ų11870%0.773%0.731SS**Hα-helixtrans-76.2-28.6-176.6-148.4166-171.71760112.3L830L830-K833 PolarHBondContact O-N 2.84Å
834I51.5Low42.9Very low123 Ų123118.6 Ų118.663%0.63173%0.727SS**Hα-helixtrans-81.8-37.9176.3-61.2174.9000111.5L830 N836 M837L830-I834 PolarHBondContact O-N 3.23Å; I834-N836 VanDerWaalsContact C-N 3.32Å; I834-N836 PolarHBondContact O-N 2.93Å; I834-M837 PolarHBondContact O-N 3.1Å
835K52.3Low43.2Very low147 Ų147121.7 Ų121.764%0.63974%0.735SS**Hα-helixtrans-59.8-38.8177.6-76.1-177.1176.4-178.30113M837 K838K835-M837 VanDerWaalsContact C-N 3.28Å; K835-M837 PolarHBondContact O-N 2.98Å; K835-K838 PolarHBondContact O-N 3.17Å
836N48.4Very low44.2Very low136 Ų136122.6 Ų122.673%0.72774%0.736SS**G310 helixtrans-71.6-13-178.8-81.613.5000115.1N832 I834 K838N832-N836 PolarHBondContact O-N 3.06Å; I834-N836 VanDerWaalsContact C-N 3.32Å; I834-N836 PolarHBondContact O-N 2.93Å; N836-K838 VanDerWaalsContact C-N 3.35Å
837M46.5Very low45.3Very low158 Ų158122.1 Ų122.178%0.77873%0.731SS**G310 helixtrans-86.3-3.5179.8-61.9-151.275.100114I834 K835I834-M837 PolarHBondContact O-N 3.1Å; K835-M837 VanDerWaalsContact C-N 3.28Å; K835-M837 PolarHBondContact O-N 2.98Å
838K46.6Very low46.7Very low206 Ų206122.5 Ų122.590%0.89672%0.724SS**G310 helixtrans-968.9-179.2-137.2174.2-174.5179.30114.4K835 N836K835-K838 PolarHBondContact O-N 3.17Å; N836-K838 VanDerWaalsContact C-N 3.35Å
839S44.2Very low48.6Very low112 Ų112120.6 Ų120.678%0.78371%0.714SS**SBendtrans-120.83.1-174.6-165.40000114.3
840A40.4Very low50Low85 Ų85121.4 Ų121.470%0.70271%0.711SS**  trans-98.5109177.900000110.1
841G33.8Very low51.8Low88 Ų88122.1 Ų122.191%0.90771%0.711SS**  trans-70.1131.3173.100000111.3
842G34.7Very low53.5Low70 Ų70118.7 Ų118.772%0.72270%0.699SS**  trans163.3101.5179.700000111.1N844G842-N844 PolarHBondContact O-N 2.88Å
843G36Very low55Low82 Ų82119.6 Ų119.685%0.84569%0.693SS**  trans-70.2100-175.900000112.7
844N44.4Very low56.7Low144 Ų144116.7 Ų116.777%0.7769%0.685SS**  trans-149108.9162.9-91.6-51.2000109.2G842 V846G842-N844 PolarHBondContact O-N 2.88Å; N844-V846 PolarHBondContact O-N 3.47Å
845N43.7Very low58.3Low173 Ų173113.4 Ų113.493%0.92567%0.673SS**  trans-75.574.5178.4-79.5-42.2000111P847N845-P847 WeakPolarHBondContact O-CD 3.42Å
846V57Low59.9Low119 Ų119114 Ų11472%0.72167%0.672SS**PPolyproline II helixtrans-70.6116.2166-177.20000107.5N844 L848N844-V846 PolarHBondContact O-N 3.47Å; V846-L848 PolarHBondContact O-N 3.43Å
847P58.4Low61.9Low98 Ų98110 Ų11064%0.63666%0.657SS**PPolyproline II helixtrans-64.7129177.926.6-33.1000109.4N845 S849N845-P847 WeakPolarHBondContact O-CD 3.42Å; P847-S849 PolarHBondContact O-N 2.9Å
848L65.5Low64Low109 Ų109107.8 Ų107.857%0.57165%0.647SS**PPolyproline II helixtrans-54.3125.7168.7-88.371.6000108.8V846 A852 R853V846-L848 PolarHBondContact O-N 3.43Å; L848-A852 HydrophobicContact CB-CB 4.27Å; L848-A852 HydrophobicContact CD2-CB 4.29Å; L848-A852 HydrophobicContact CG-CB 4.39Å; L848-R853 HydrophobicContact CB-CG 4.08Å; L848-R853 PolarHBondContact O-NE 2.86Å
849S78.5Confident66.1Low81 Ų81102.5 Ų102.557%0.56663%0.628SS**PPolyproline II helixtrans-47.3144.7169.5177.90000110.5P847 E851 A852 R853P847-S849 PolarHBondContact O-N 2.9Å; S849-E851 PolarHBondContact O-N 3.02Å; S849-E851 VanDerWaalsContact O-N 3.15Å; S849-A852 WeakPolarHBondContact O-CA 3.49Å; S849-A852 WeakPolarHBondContact O-CB 3.15Å; S849-A852 PolarHBondContact O-N 2.89Å; S849-R853 PolarHBondContact O-N 3.13Å
850D78.8Confident68.2Low109 Ų10999.6 Ų99.658%0.58360%0.601SS**Hα-helixtrans-59.3-29.3-179.1-64.7-48.8000112.3R853 L854D850-R853 WeakPolarHBondContact O-CB 3.41Å; D850-R853 PolarHBondContact O-N 3.46Å; D850-L854 WeakPolarHBondContact O-CB 3.36Å; D850-L854 VanDerWaalsContact O-CG 3.29Å; D850-L854 WeakPolarHBondContact O-CG 3.44Å; D850-L854 PolarHBondContact O-N 2.96Å
851E81.8Confident70.5Confident136 Ų13699.2 Ų99.264%0.63659%0.594SS**Hα-helixtrans-61.7-42.9170.1-174.458-150.200112.3S849 R853 L854 S855S849-E851 PolarHBondContact O-N 3.02Å; S849-E851 VanDerWaalsContact O-N 3.15Å; E851-R853 VanDerWaalsContact C-N 3.33Å; E851-R853 PolarHBondContact O-N 2.96Å; E851-L854 PolarHBondContact O-N 2.72Å; E851-S855 WeakPolarHBondContact O-CB 3.47Å; E851-S855 PolarHBondContact O-N 3.22Å; E851-S855 PolarHBondContact O-OG 2.91Å
852A82.1Confident73.4Confident37 Ų37101 Ų10131%0.30658%0.578SS.*Hα-helixtrans-67-36.917600000111.2L848 S849 S855 W856L848-A852 HydrophobicContact CB-CB 4.27Å; L848-A852 HydrophobicContact CD2-CB 4.29Å; L848-A852 HydrophobicContact CG-CB 4.39Å; S849-A852 WeakPolarHBondContact O-CA 3.49Å; S849-A852 WeakPolarHBondContact O-CB 3.15Å; S849-A852 PolarHBondContact O-N 2.89Å; A852-S855 PolarHBondContact O-OG 3.05Å; A852-W856 WeakPolarHBondContact O-CB 3.22Å; A852-W856 PolarHBondContact O-N 2.95Å
853R79.5Confident76.2Confident137 Ų137104.2 Ų104.252%0.51757%0.569SS.*Hα-helixtrans-65.5-44.5174.3-62175.4176.1-147-11.2111.8L848 S849 D850 E851 W856 A857L848-R853 HydrophobicContact CB-CG 4.08Å; L848-R853 PolarHBondContact O-NE 2.86Å; S849-R853 PolarHBondContact O-N 3.13Å; D850-R853 WeakPolarHBondContact O-CB 3.41Å; D850-R853 PolarHBondContact O-N 3.46Å; E851-R853 VanDerWaalsContact C-N 3.33Å; E851-R853 PolarHBondContact O-N 2.96Å; R853-W856 PolarHBondContact O-N 3.11Å; R853-A857 WeakPolarHBondContact O-CB 3.44Å; R853-A857 PolarHBondContact O-N 3.01Å
854L85.8Confident78.8Confident101 Ų101105 Ų10553%0.52955%0.553SS.*Hα-helixtrans-62.5-47.1175.7-76.5164.5000111.2D850 E851 W856 A857 I858D850-L854 WeakPolarHBondContact O-CB 3.36Å; D850-L854 VanDerWaalsContact O-CG 3.29Å; D850-L854 WeakPolarHBondContact O-CG 3.44Å; D850-L854 PolarHBondContact O-N 2.96Å; E851-L854 PolarHBondContact O-N 2.72Å; L854-W856 VanDerWaalsContact C-N 3.31Å; L854-W856 PolarHBondContact O-N 3.19Å; L854-A857 PolarHBondContact O-N 3.31Å; L854-I858 VanDerWaalsContact O-CG1 3.31Å; L854-I858 WeakPolarHBondContact O-CG1 3.25Å; L854-I858 PolarHBondContact O-N 3.17Å
855S86.9Confident81.1Confident53 Ų53100.7 Ų100.737%0.37154%0.537SS..Hα-helixtrans-59.9-40.4176.674.70000112.3E851 A852 I858 I859E851-S855 WeakPolarHBondContact O-CB 3.47Å; E851-S855 PolarHBondContact O-N 3.22Å; E851-S855 PolarHBondContact O-OG 2.91Å; A852-S855 PolarHBondContact O-OG 3.05Å; S855-I858 PolarHBondContact O-N 3.08Å; S855-I859 WeakPolarHBondContact O-CB 3.39Å; S855-I859 WeakPolarHBondContact O-CD1 3.44Å; S855-I859 VanDerWaalsContact O-CG1 3.24Å; S855-I859 WeakPolarHBondContact O-CG1 3.4Å; S855-I859 PolarHBondContact O-N 2.92Å
856W85.9Confident83.4Confident161 Ų16198.1 Ų98.161%0.6152%0.52SS*.Hα-helixtrans-67.1-42.9175.2-174.380.5000112.1A852 R853 L854 I858 I859 E860A852-W856 WeakPolarHBondContact O-CB 3.22Å; A852-W856 PolarHBondContact O-N 2.95Å; R853-W856 PolarHBondContact O-N 3.11Å; L854-W856 VanDerWaalsContact C-N 3.31Å; L854-W856 PolarHBondContact O-N 3.19Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 3.2Å; W856-I859 PolarHBondContact O-N 2.88Å; W856-E860 HydrophobicContact CH2-CB 4.14Å; W856-E860 HydrophobicContact CH2-CG 3.94Å; W856-E860 HydrophobicContact CZ2-CB 4.12Å; W856-E860 HydrophobicContact CZ2-CG 3.98Å; W856-E860 HydrophobicContact CZ3-CB 4.36Å; W856-E860 WeakPolarHBondContact O-CB 3.45Å; W856-E860 PolarHBondContact O-N 3.01Å
857A89.3Confident85Confident50 Ų5096.2 Ų96.241%0.41351%0.505SS..Hα-helixtrans-63.4-37176.800000112.7R853 L854 S861R853-A857 WeakPolarHBondContact O-CB 3.44Å; R853-A857 PolarHBondContact O-N 3.01Å; L854-A857 PolarHBondContact O-N 3.31Å; A857-S861 WeakPolarHBondContact O-CB 3.43Å; A857-S861 PolarHBondContact O-N 3.38Å
858I90.6Very high86.6Confident112 Ų11298.5 Ų98.557%0.57451%0.507SS*.Hα-helixtrans-66-46.5173.9-68.9164.1000110.5L854 S855 W856 S861 Q862L854-I858 VanDerWaalsContact O-CG1 3.31Å; L854-I858 WeakPolarHBondContact O-CG1 3.25Å; L854-I858 PolarHBondContact O-N 3.17Å; S855-I858 PolarHBondContact O-N 3.08Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 3.2Å; I858-S861 PolarHBondContact O-N 2.84Å; I858-Q862 WeakPolarHBondContact O-CB 3.39Å; I858-Q862 PolarHBondContact O-N 3.36Å
859I90Very high87.9Confident96 Ų9696.5 Ų96.549%0.49249%0.494SS..Hα-helixtrans-63.9-45.4179.2-69.6165.1000111.3S855 W856 Q862 R863S855-I859 WeakPolarHBondContact O-CB 3.39Å; S855-I859 WeakPolarHBondContact O-CD1 3.44Å; S855-I859 VanDerWaalsContact O-CG1 3.24Å; S855-I859 WeakPolarHBondContact O-CG1 3.4Å; S855-I859 PolarHBondContact O-N 2.92Å; W856-I859 PolarHBondContact O-N 2.88Å; I859-Q862 PolarHBondContact O-N 2.97Å; I859-R863 WeakPolarHBondContact O-CB 3.41Å; I859-R863 PolarHBondContact O-N 3.11Å
860E89.2Confident88.7Confident50 Ų5099 Ų9923%0.23450%0.497CS..Hα-helixtrans-70.9-36.2179.2-162.364.7-152.400111.3W856 Q862 R863 L864W856-E860 HydrophobicContact CH2-CB 4.14Å; W856-E860 HydrophobicContact CH2-CG 3.94Å; W856-E860 HydrophobicContact CZ2-CB 4.12Å; W856-E860 HydrophobicContact CZ2-CG 3.98Å; W856-E860 HydrophobicContact CZ3-CB 4.36Å; W856-E860 WeakPolarHBondContact O-CB 3.45Å; W856-E860 PolarHBondContact O-N 3.01Å; E860-Q862 VanDerWaalsContact C-N 3.34Å; E860-Q862 PolarHBondContact O-N 3.36Å; E860-R863 PolarHBondContact O-N 2.8Å; E860-R863 VanDerWaalsContact OE1-CD 3.31Å; E860-R863 WeakPolarHBondContact OE1-CD 3.39Å; E860-R863 IonicContact OE1-NE 2.55Å; E860-R863 PolarHBondContact OE1-NE 2.96Å; E860-R863 VanDerWaalsContact OE1-NE 3.13Å; E860-R863 IonicContact OE2-NE 2.74Å; E860-L864 HydrophobicContact CG-CD1 4.43Å; E860-L864 WeakPolarHBondContact O-CB 3.39Å; E860-L864 VanDerWaalsContact O-CG 3.3Å; E860-L864 WeakPolarHBondContact O-CG 3.25Å; E860-L864 PolarHBondContact O-N 3.3Å
861S89.4Confident89.3Confident77 Ų7796.7 Ų96.754%0.53849%0.493SS..Hα-helixtrans-62-40.4171.5-175.30000112A857 I858 L864 A865A857-S861 WeakPolarHBondContact O-CB 3.43Å; A857-S861 PolarHBondContact O-N 3.38Å; I858-S861 PolarHBondContact O-N 2.84Å; S861-L864 PolarHBondContact O-N 3.37Å; S861-A865 WeakPolarHBondContact O-CB 3.46Å; S861-A865 PolarHBondContact O-N 2.83Å
862Q93.7Very high89.9Confident125 Ų12596.2 Ų96.258%0.58449%0.486SS*.Hα-helixtrans-69-38.6177.1-170.817221.700111.7I858 I859 E860 A865 Q866I858-Q862 WeakPolarHBondContact O-CB 3.39Å; I858-Q862 PolarHBondContact O-N 3.36Å; I859-Q862 PolarHBondContact O-N 2.97Å; E860-Q862 VanDerWaalsContact C-N 3.34Å; E860-Q862 PolarHBondContact O-N 3.36Å; Q862-A865 PolarHBondContact O-N 3.08Å; Q862-Q866 WeakPolarHBondContact O-CG 3.37Å; Q862-Q866 PolarHBondContact O-N 3.27Å
863R94.1Very high90.5Very high138 Ų13899.4 Ų99.452%0.52149%0.493SS..Hα-helixtrans-62.4-44.3172.7170.5-177.5159.187.210.5112.1I859 E860 Q866 I867I859-R863 WeakPolarHBondContact O-CB 3.41Å; I859-R863 PolarHBondContact O-N 3.11Å; E860-R863 PolarHBondContact O-N 2.8Å; E860-R863 VanDerWaalsContact OE1-CD 3.31Å; E860-R863 WeakPolarHBondContact OE1-CD 3.39Å; E860-R863 IonicContact OE1-NE 2.55Å; E860-R863 PolarHBondContact OE1-NE 2.96Å; E860-R863 VanDerWaalsContact OE1-NE 3.13Å; E860-R863 IonicContact OE2-NE 2.74Å; R863-Q866 PolarHBondContact O-N 3.5Å; R863-I867 HydrophobicContact CG-CD1 4.17Å; R863-I867 WeakPolarHBondContact O-CG1 3.37Å; R863-I867 PolarHBondContact O-N 2.91Å; R863-I867 VanDerWaalsContact O-N 3.1Å
864L90.7Very high91.1Very high100 Ų10098 Ų9852%0.52449%0.492SS..Hα-helixtrans-65.6-42.4177.1-72.4169.7000111.5E860 S861 Q866 I867 E868E860-L864 HydrophobicContact CG-CD1 4.43Å; E860-L864 WeakPolarHBondContact O-CB 3.39Å; E860-L864 VanDerWaalsContact O-CG 3.3Å; E860-L864 WeakPolarHBondContact O-CG 3.25Å; E860-L864 PolarHBondContact O-N 3.3Å; S861-L864 PolarHBondContact O-N 3.37Å; L864-Q866 VanDerWaalsContact C-N 3.28Å; L864-Q866 PolarHBondContact O-N 2.85Å; L864-I867 PolarHBondContact O-N 3.44Å; L864-I867 VanDerWaalsContact O-N 3.14Å; L864-E868 PolarHBondContact O-N 2.79Å
865A91.6Very high91.4Very high52 Ų5299.3 Ų99.343%0.4350%0.495SS..Hα-helixtrans-62.6-32.8174.600000112.9S861 Q862 E869S861-A865 WeakPolarHBondContact O-CB 3.46Å; S861-A865 PolarHBondContact O-N 2.83Å; Q862-A865 PolarHBondContact O-N 3.08Å; A865-E869 WeakPolarHBondContact O-CB 3.16Å; A865-E869 PolarHBondContact O-N 3.36Å
866Q92.3Very high91.8Very high119 Ų119102.4 Ų102.456%0.55650%0.504SS*.Hα-helixtrans-67-42.7171.7-76178.5-42.200112.2Q862 R863 L864 E869 E870Q862-Q866 WeakPolarHBondContact O-CG 3.37Å; Q862-Q866 PolarHBondContact O-N 3.27Å; R863-Q866 PolarHBondContact O-N 3.5Å; L864-Q866 VanDerWaalsContact C-N 3.28Å; L864-Q866 PolarHBondContact O-N 2.85Å; Q866-E869 PolarHBondContact O-N 3.2Å; Q866-E870 WeakPolarHBondContact O-CB 3.48Å; Q866-E870 WeakPolarHBondContact O-CG 3.27Å; Q866-E870 PolarHBondContact O-N 2.9Å
867I91.4Very high92.2Very high80 Ų8097 Ų9741%0.4149%0.494SS..Hα-helixtrans-65.8-38.7177.4-66.2163.8000111.1R863 L864 E870 A871R863-I867 HydrophobicContact CG-CD1 4.17Å; R863-I867 WeakPolarHBondContact O-CG1 3.37Å; R863-I867 PolarHBondContact O-N 2.91Å; R863-I867 VanDerWaalsContact O-N 3.1Å; L864-I867 PolarHBondContact O-N 3.44Å; L864-I867 VanDerWaalsContact O-N 3.14Å; I867-E870 PolarHBondContact O-N 3.43Å; I867-A871 WeakPolarHBondContact O-CB 3.36Å; I867-A871 PolarHBondContact O-N 2.9Å
868E91.7Very high92.5Very high145 Ų14598.5 Ų98.568%0.67850%0.495SS*.Hα-helixtrans-66.2-42.2174.7-172.5174.6-171.400111.8L864 A871 R872L864-E868 PolarHBondContact O-N 2.79Å; E868-A871 PolarHBondContact O-N 3.03Å; E868-R872 VanDerWaalsContact O-CB 3.3Å; E868-R872 WeakPolarHBondContact O-CB 3.37Å; E868-R872 PolarHBondContact O-N 2.95Å
869E93.3Very high92.7Very high67 Ų6798 Ų9831%0.31349%0.493SS..Hα-helixtrans-67.8-31.2175.8175.865.4-176.300113.1A865 Q866 R872 K873A865-E869 WeakPolarHBondContact O-CB 3.16Å; A865-E869 PolarHBondContact O-N 3.36Å; Q866-E869 PolarHBondContact O-N 3.2Å; E869-R872 VanDerWaalsContact CD-NH2 3.28Å; E869-R872 IonicContact OE1-NH2 3.4Å; E869-R872 PolarHBondContact OE1-NH2 3.46Å; E869-R872 VanDerWaalsContact OE1-NH2 3.09Å; E869-R872 IonicContact OE2-CZ 3.45Å; E869-R872 VanDerWaalsContact OE2-CZ 3.24Å; E869-R872 IonicContact OE2-NE 2.68Å; E869-R872 PolarHBondContact OE2-NE 3.14Å; E869-R872 IonicContact OE2-NH2 3.41Å; E869-R872 PolarHBondContact OE2-NH2 2.63Å; E869-K873 WeakPolarHBondContact O-CD 3.43Å; E869-K873 WeakPolarHBondContact O-CG 3.35Å; E869-K873 PolarHBondContact O-N 3.38Å; E869-K873 WeakPolarHBondContact OE1-CE 3.13Å; E869-K873 IonicContact OE1-NZ 3.4Å; E869-K873 PolarHBondContact OE1-NZ 3.44Å
870E94Very high92.9Very high134 Ų13498.2 Ų98.263%0.62649%0.492SS*.Hα-helixtrans-72.9-44.5171.3-76.2174.8179.400111.5Q866 I867 R872 K873 Q874Q866-E870 WeakPolarHBondContact O-CB 3.48Å; Q866-E870 WeakPolarHBondContact O-CG 3.27Å; Q866-E870 PolarHBondContact O-N 2.9Å; I867-E870 PolarHBondContact O-N 3.43Å; E870-R872 VanDerWaalsContact C-N 3.34Å; E870-R872 PolarHBondContact O-N 2.63Å; E870-K873 PolarHBondContact O-N 3.42Å; E870-Q874 PolarHBondContact O-N 3.17Å
871A93Very high93.1Very high60 Ų60100.3 Ų100.350%0.49650%0.504SS..Hα-helixtrans-61-41.6175.400000112.2I867 E868 K873 Q874 E875I867-A871 WeakPolarHBondContact O-CB 3.36Å; I867-A871 PolarHBondContact O-N 2.9Å; E868-A871 PolarHBondContact O-N 3.03Å; A871-K873 VanDerWaalsContact C-N 3.3Å; A871-K873 PolarHBondContact O-N 3.12Å; A871-Q874 WeakPolarHBondContact O-CB 3.44Å; A871-Q874 PolarHBondContact O-N 2.81Å; A871-E875 PolarHBondContact O-N 2.88Å
872R93.1Very high93.3Very high126 Ų12699.1 Ų99.148%0.47550%0.499SS..Hα-helixtrans-60.9-36.8175.4-170.8177.872.678.8-3.3112.6E868 E869 E870 E876E868-R872 VanDerWaalsContact O-CB 3.3Å; E868-R872 WeakPolarHBondContact O-CB 3.37Å; E868-R872 PolarHBondContact O-N 2.95Å; E869-R872 VanDerWaalsContact CD-NH2 3.28Å; E869-R872 IonicContact OE1-NH2 3.4Å; E869-R872 PolarHBondContact OE1-NH2 3.46Å; E869-R872 VanDerWaalsContact OE1-NH2 3.09Å; E869-R872 IonicContact OE2-CZ 3.45Å; E869-R872 VanDerWaalsContact OE2-CZ 3.24Å; E869-R872 IonicContact OE2-NE 2.68Å; E869-R872 PolarHBondContact OE2-NE 3.14Å; E869-R872 IonicContact OE2-NH2 3.41Å; E869-R872 PolarHBondContact OE2-NH2 2.63Å; E870-R872 VanDerWaalsContact C-N 3.34Å; E870-R872 PolarHBondContact O-N 2.63Å; R872-E876 WeakPolarHBondContact O-CB 3.24Å; R872-E876 PolarHBondContact O-N 3.19Å
873K94.4Very high93.2Very high104 Ų10498.2 Ų98.245%0.45250%0.497SS..Hα-helixtrans-74-33.6175.2-76.1167.8-174.6149.90112.8E869 E870 A871 E876 A877E869-K873 WeakPolarHBondContact O-CD 3.43Å; E869-K873 WeakPolarHBondContact O-CG 3.35Å; E869-K873 PolarHBondContact O-N 3.38Å; E869-K873 WeakPolarHBondContact OE1-CE 3.13Å; E869-K873 IonicContact OE1-NZ 3.4Å; E869-K873 PolarHBondContact OE1-NZ 3.44Å; E870-K873 PolarHBondContact O-N 3.42Å; A871-K873 VanDerWaalsContact C-N 3.3Å; A871-K873 PolarHBondContact O-N 3.12Å; K873-E876 PolarHBondContact O-N 3.49Å; K873-A877 WeakPolarHBondContact O-CB 3.19Å; K873-A877 PolarHBondContact O-N 3.33Å
874Q92.7Very high93Very high108 Ų10898 Ų9851%0.50550%0.497SS..Hα-helixtrans-64.6-45.2172.2-176.358.744.100110.6E870 A871 E876 A877 D878E870-Q874 PolarHBondContact O-N 3.17Å; A871-Q874 WeakPolarHBondContact O-CB 3.44Å; A871-Q874 PolarHBondContact O-N 2.81Å; Q874-E876 PolarHBondContact O-N 2.9Å; Q874-A877 PolarHBondContact O-N 2.8Å; Q874-D878 PolarHBondContact NE2-OD1 2.83Å; Q874-D878 PolarHBondContact NE2-OD2 2.81Å; Q874-D878 WeakPolarHBondContact O-CB 3.38Å; Q874-D878 PolarHBondContact O-N 3.28Å
875E93.2Very high92.8Very high128 Ų12898.2 Ų98.260%0.59850%0.497SS*.Hα-helixtrans-60.4-43.7174.3-173.5177.9-168.400112A871 A877 D878 L879A871-E875 PolarHBondContact O-N 2.88Å; E875-A877 PolarHBondContact O-N 3.41Å; E875-D878 PolarHBondContact O-N 3.32Å; E875-L879 HydrophobicContact CG-CD1 4.14Å; E875-L879 WeakPolarHBondContact O-CB 3.36Å; E875-L879 VanDerWaalsContact O-CG 3.23Å; E875-L879 WeakPolarHBondContact O-CG 3.48Å; E875-L879 PolarHBondContact O-N 3.16Å
876E94.4Very high92.7Very high118 Ų11899.2 Ų99.255%0.55150%0.501SS*.Hα-helixtrans-61.9-40.6175.5-172.2171-172.800112.5R872 K873 Q874 E880R872-E876 WeakPolarHBondContact O-CB 3.24Å; R872-E876 PolarHBondContact O-N 3.19Å; K873-E876 PolarHBondContact O-N 3.49Å; Q874-E876 PolarHBondContact O-N 2.9Å; E876-E880 PolarHBondContact O-N 2.97Å
877A95.1Very high92.4Very high48 Ų48100.5 Ų100.540%0.39751%0.505SS..Hα-helixtrans-68.8-41.7176.600000112.8K873 Q874 E875 L879 E880 L881K873-A877 WeakPolarHBondContact O-CB 3.19Å; K873-A877 PolarHBondContact O-N 3.33Å; Q874-A877 PolarHBondContact O-N 2.8Å; E875-A877 PolarHBondContact O-N 3.41Å; A877-L879 VanDerWaalsContact C-N 3.33Å; A877-E880 PolarHBondContact O-N 3.28Å; A877-L881 WeakPolarHBondContact O-CB 3.44Å; A877-L881 PolarHBondContact O-N 3.47Å
878D94.9Very high92Very high82 Ų82102.1 Ų102.144%0.43951%0.514SS..Hα-helixtrans-67.6-34.7176.9-71.6-30.9000111.4Q874 E875 L881 A882Q874-D878 PolarHBondContact NE2-OD1 2.83Å; Q874-D878 PolarHBondContact NE2-OD2 2.81Å; Q874-D878 WeakPolarHBondContact O-CB 3.38Å; Q874-D878 PolarHBondContact O-N 3.28Å; E875-D878 PolarHBondContact O-N 3.32Å; D878-L881 PolarHBondContact O-N 3.04Å; D878-A882 WeakPolarHBondContact O-CB 3.42Å; D878-A882 PolarHBondContact O-N 2.9Å
879L94.9Very high91.5Very high101 Ų10198.8 Ų98.853%0.52950%0.501SS..Hα-helixtrans-67.2-41.5170.3-73.7169.8000112.4E875 A877 L881 A882 L883E875-L879 HydrophobicContact CG-CD1 4.14Å; E875-L879 WeakPolarHBondContact O-CB 3.36Å; E875-L879 VanDerWaalsContact O-CG 3.23Å; E875-L879 WeakPolarHBondContact O-CG 3.48Å; E875-L879 PolarHBondContact O-N 3.16Å; A877-L879 VanDerWaalsContact C-N 3.33Å; L879-L881 VanDerWaalsContact C-N 3.32Å; L879-L881 PolarHBondContact O-N 2.76Å; L879-A882 PolarHBondContact O-N 3.34Å; L879-L883 WeakPolarHBondContact O-CB 3.32Å; L879-L883 VanDerWaalsContact O-CG 3.32Å; L879-L883 WeakPolarHBondContact O-CG 3.24Å; L879-L883 PolarHBondContact O-N 3.24Å
880E93.9Very high90.7Very high101 Ų10198.7 Ų98.747%0.47251%0.507SS..Hα-helixtrans-64.4-38.6174.7-155.6-156.2176.700111.4E876 A877 L883 R884E876-E880 PolarHBondContact O-N 2.97Å; A877-E880 PolarHBondContact O-N 3.28Å; E880-L883 PolarHBondContact O-N 3.3Å; E880-R884 PolarHBondContact O-N 2.93Å; E880-R884 IonicContact OE1-CZ 2.69Å; E880-R884 IonicContact OE1-NH1 3.43Å; E880-R884 PolarHBondContact OE1-NH1 2.79Å; E880-R884 VanDerWaalsContact OE1-NH1 3.09Å; E880-R884 IonicContact OE1-NH2 3.02Å; E880-R884 PolarHBondContact OE1-NH2 2.82Å; E880-R884 IonicContact OE2-CZ 3.26Å; E880-R884 IonicContact OE2-NH1 3.76Å; E880-R884 PolarHBondContact OE2-NH1 3.31Å; E880-R884 IonicContact OE2-NH2 3.24Å
881L94.3Very high89.7Confident94 Ų9496.4 Ų96.449%0.49251%0.506SS..Hα-helixtrans-66-44.8175.3-176.3143.8000111.6A877 D878 L879 L883 R884 L885A877-L881 WeakPolarHBondContact O-CB 3.44Å; A877-L881 PolarHBondContact O-N 3.47Å; D878-L881 PolarHBondContact O-N 3.04Å; L879-L881 VanDerWaalsContact C-N 3.32Å; L879-L881 PolarHBondContact O-N 2.76Å; L881-L883 VanDerWaalsContact C-N 3.31Å; L881-L883 PolarHBondContact O-N 3.39Å; L881-R884 PolarHBondContact O-N 3Å; L881-R884 VanDerWaalsContact O-N 3.15Å; L881-L885 HydrophobicContact CD2-CD1 3.66Å; L881-L885 HydrophobicContact CD2-CG 4.3Å; L881-L885 WeakPolarHBondContact O-CG 3.06Å; L881-L885 PolarHBondContact O-N 3.36Å
882A92.7Very high88.6Confident51 Ų51100.2 Ų100.242%0.42152%0.518SS..Hα-helixtrans-60-40.6173.500000112D878 L879 L885 S886D878-A882 WeakPolarHBondContact O-CB 3.42Å; D878-A882 PolarHBondContact O-N 2.9Å; L879-A882 PolarHBondContact O-N 3.34Å; A882-L885 PolarHBondContact O-N 3.36Å; A882-S886 WeakPolarHBondContact O-CB 3.34Å; A882-S886 PolarHBondContact O-N 2.85Å
883L90.6Very high87.2Confident106 Ų106102.8 Ų102.856%0.55553%0.528SS*.Hα-helixtrans-67.4-33.7174.3-74.2170.3000112.9L879 E880 L881 K887L879-L883 WeakPolarHBondContact O-CB 3.32Å; L879-L883 VanDerWaalsContact O-CG 3.32Å; L879-L883 WeakPolarHBondContact O-CG 3.24Å; L879-L883 PolarHBondContact O-N 3.24Å; E880-L883 PolarHBondContact O-N 3.3Å; L881-L883 VanDerWaalsContact C-N 3.31Å; L881-L883 PolarHBondContact O-N 3.39Å; L883-K887 WeakPolarHBondContact O-CB 3.29Å; L883-K887 WeakPolarHBondContact O-CD 3.47Å; L883-K887 VanDerWaalsContact O-CG 3.26Å; L883-K887 WeakPolarHBondContact O-CG 3.41Å; L883-K887 PolarHBondContact O-N 2.87Å; L883-K887 VanDerWaalsContact O-N 3.13Å
884R89.8Confident85Confident135 Ų135108.9 Ų108.951%0.50956%0.558SS.*Hα-helixtrans-66.4-46.4170.4-78.6-167.6178.886.612.2111.7E880 L881 S886 K887 L888E880-R884 PolarHBondContact O-N 2.93Å; E880-R884 IonicContact OE1-CZ 2.69Å; E880-R884 IonicContact OE1-NH1 3.43Å; E880-R884 PolarHBondContact OE1-NH1 2.79Å; E880-R884 VanDerWaalsContact OE1-NH1 3.09Å; E880-R884 IonicContact OE1-NH2 3.02Å; E880-R884 PolarHBondContact OE1-NH2 2.82Å; E880-R884 IonicContact OE2-CZ 3.26Å; E880-R884 IonicContact OE2-NH1 3.76Å; E880-R884 PolarHBondContact OE2-NH1 3.31Å; E880-R884 IonicContact OE2-NH2 3.24Å; L881-R884 PolarHBondContact O-N 3Å; L881-R884 VanDerWaalsContact O-N 3.15Å; R884-S886 PolarHBondContact O-N 2.77Å; R884-K887 PolarHBondContact O-N 3.29Å; R884-L888 WeakPolarHBondContact O-CG 3.17Å; R884-L888 PolarHBondContact O-N 2.83Å
885L88.3Confident84.6Confident103 Ų103108.9 Ų108.954%0.53956%0.56SS.*Hα-helixtrans-63-41.2178.4-68.9176.9000111.9L881 A882 K887 L888 D889L881-L885 HydrophobicContact CD2-CD1 3.66Å; L881-L885 HydrophobicContact CD2-CG 4.3Å; L881-L885 WeakPolarHBondContact O-CG 3.06Å; L881-L885 PolarHBondContact O-N 3.36Å; A882-L885 PolarHBondContact O-N 3.36Å; L885-K887 PolarHBondContact O-N 3.37Å; L885-L888 PolarHBondContact O-N 2.79Å; L885-D889 PolarHBondContact O-N 2.61Å
886S87.9Confident84.2Confident73 Ų73107.9 Ų107.951%0.5156%0.558SS.*Hα-helixtrans-63.2-38.8174.7-1790000112.7A882 R884 S890A882-S886 WeakPolarHBondContact O-CB 3.34Å; A882-S886 PolarHBondContact O-N 2.85Å; R884-S886 PolarHBondContact O-N 2.77Å; S886-S890 WeakPolarHBondContact O-CB 3.43Å; S886-S890 PolarHBondContact O-N 3.41Å; S886-S890 PolarHBondContact O-OG 3.43Å
887K87.2Confident83.6Confident146 Ų146107.3 Ų107.364%0.63556%0.559SS**Hα-helixtrans-66.8-33.6172.5-75170.6-177.4174.60112.9L883 R884 L885 S890 S891L883-K887 WeakPolarHBondContact O-CB 3.29Å; L883-K887 WeakPolarHBondContact O-CD 3.47Å; L883-K887 VanDerWaalsContact O-CG 3.26Å; L883-K887 WeakPolarHBondContact O-CG 3.41Å; L883-K887 PolarHBondContact O-N 2.87Å; L883-K887 VanDerWaalsContact O-N 3.13Å; R884-K887 PolarHBondContact O-N 3.29Å; L885-K887 PolarHBondContact O-N 3.37Å; K887-S890 WeakPolarHBondContact CA-OG 3.43Å; K887-S890 PolarHBondContact O-OG 3.03Å; K887-S891 WeakPolarHBondContact O-CB 3.48Å; K887-S891 PolarHBondContact O-N 3.47Å
888L82.8Confident82.9Confident115 Ų115110.8 Ų110.860%0.60257%0.568SS**Hα-helixtrans-72-46.4175.5-73.7166000112R884 L885 S891 N892R884-L888 WeakPolarHBondContact O-CG 3.17Å; R884-L888 PolarHBondContact O-N 2.83Å; L885-L888 PolarHBondContact O-N 2.79Å; L888-S891 CarbonylContact O-C 3.6Å; L888-S891 PolarHBondContact O-N 3.42Å; L888-N892 VanDerWaalsContact O-CB 3.29Å; L888-N892 WeakPolarHBondContact O-CB 3.41Å; L888-N892 PolarHBondContact O-N 3.4Å
889D80.4Confident82.2Confident75 Ų75112.6 Ų112.640%0.40158%0.576SS.*Hα-helixtrans-62.2-45.7176.8-178.931.4000111.6L885 S891 N892 R893L885-D889 PolarHBondContact O-N 2.61Å; D889-S891 VanDerWaalsContact C-N 3.32Å; D889-S891 PolarHBondContact O-N 2.76Å; D889-N892 PolarHBondContact O-N 2.96Å; D889-N892 VanDerWaalsContact O-N 3.09Å; D889-R893 WeakPolarHBondContact O-CG 3.48Å; D889-R893 PolarHBondContact O-N 2.95Å; D889-R893 IonicContact OD1-CZ 2.82Å; D889-R893 IonicContact OD1-NE 3.92Å; D889-R893 PolarHBondContact OD1-NE 3.47Å; D889-R893 IonicContact OD1-NH2 3.21Å; D889-R893 PolarHBondContact OD1-NH2 2.94Å; D889-R893 VanDerWaalsContact OD1-NH2 3.17Å; D889-R893 IonicContact OD2-CZ 2.82Å; D889-R893 IonicContact OD2-NE 3.98Å; D889-R893 PolarHBondContact OD2-NE 3.44Å; D889-R893 IonicContact OD2-NH2 3.33Å; D889-R893 PolarHBondContact OD2-NH2 3.08Å
890S76Confident81.3Confident64 Ų64113.4 Ų113.445%0.44858%0.579SS.*Hα-helixtrans-64.4-32.9174.850.70000113.5S886 K887 N892S886-S890 WeakPolarHBondContact O-CB 3.43Å; S886-S890 PolarHBondContact O-N 3.41Å; S886-S890 PolarHBondContact O-OG 3.43Å; K887-S890 WeakPolarHBondContact CA-OG 3.43Å; K887-S890 PolarHBondContact O-OG 3.03Å; S890-N892 VanDerWaalsContact C-N 3.3Å
891S74.6Confident80.4Confident87 Ų87114.3 Ų114.361%0.60859%0.587SS**Hα-helixtrans-79.7-5.8173.1-169.40000114.5K887 L888 D889K887-S891 WeakPolarHBondContact O-CB 3.48Å; K887-S891 PolarHBondContact O-N 3.47Å; L888-S891 CarbonylContact O-C 3.6Å; L888-S891 PolarHBondContact O-N 3.42Å; D889-S891 VanDerWaalsContact C-N 3.32Å; D889-S891 PolarHBondContact O-N 2.76Å
892N69.4Low79.3Confident139 Ų139115.8 Ų115.874%0.74359%0.594SS**THydrogen-bonded Turntrans-110.48.1177.9-159.450.3000111.9L888 D889 S890L888-N892 VanDerWaalsContact O-CB 3.29Å; L888-N892 WeakPolarHBondContact O-CB 3.41Å; L888-N892 PolarHBondContact O-N 3.4Å; D889-N892 PolarHBondContact O-N 2.96Å; D889-N892 VanDerWaalsContact O-N 3.09Å; S890-N892 VanDerWaalsContact C-N 3.3Å
893R63.1Low78.2Confident180 Ų180121.3 Ų121.368%0.67961%0.609SS**  trans-113.217.1172.5-66.2177-167.5-138.513.9112.2D889D889-R893 WeakPolarHBondContact O-CG 3.48Å; D889-R893 PolarHBondContact O-N 2.95Å; D889-R893 IonicContact OD1-CZ 2.82Å; D889-R893 IonicContact OD1-NE 3.92Å; D889-R893 PolarHBondContact OD1-NE 3.47Å; D889-R893 IonicContact OD1-NH2 3.21Å; D889-R893 PolarHBondContact OD1-NH2 2.94Å; D889-R893 VanDerWaalsContact OD1-NH2 3.17Å; D889-R893 IonicContact OD2-CZ 2.82Å; D889-R893 IonicContact OD2-NE 3.98Å; D889-R893 PolarHBondContact OD2-NE 3.44Å; D889-R893 IonicContact OD2-NH2 3.33Å; D889-R893 PolarHBondContact OD2-NH2 3.08Å
894H48.6Very low77.1Confident232 Ų232122.6 Ų122.6100%1.07461%0.614SS**  trans-132.40176-75.4-7.1000108.9

Retrieved 894 of 894 residues in 885.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).