A0A077YXT6_TRITR Loading...

Serine

AlphaFold DB , UniProt , Accession A0A077YXT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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
1M29.5Very low56.1Low242 Ų24293.8 Ų93.8100%1.19248%0.481SS*.  0113.10-64.9173.2-168.300105.1
2S37.9Very low58.9Low100 Ų10086 Ų8670%0.69944%0.441SS*.  trans-72.3140.6174.958.20000108.1S4S2-S4 PolarHBondContact O-N 3.35Å
3I42.6Very low61.3Low61 Ų6182.7 Ų82.731%0.31343%0.428SS..  trans-67.976.5165.9-60.4178.5000108D5 L35 E39I3-D5 PolarHBondContact O-N 3.3Å; I3-L35 HydrophobicContact CD1-CD2 3.26Å; I3-E39 HydrophobicContact CB-CG 4.47Å; I3-E39 VanDerWaalsContact CB-OE1 3.23Å; I3-E39 WeakPolarHBondContact CB-OE1 3.37Å; I3-E39 HydrophobicContact CD1-CB 4.06Å; I3-E39 HydrophobicContact CD1-CG 3.72Å; I3-E39 WeakPolarHBondContact CD1-OE1 3.45Å; I3-E39 WeakPolarHBondContact CD1-OE2 3.18Å; I3-E39 HydrophobicContact CG1-CG 4.44Å; I3-E39 WeakPolarHBondContact CG1-OE1 3.32Å
4S43.8Very low63.2Low91 Ų9179.9 Ų79.964%0.63642%0.422SS*.  trans-69.2-14.1161.11700000110.2S2 L6S2-S4 PolarHBondContact O-N 3.35Å; S4-L6 PolarHBondContact O-N 2.83Å
5D46.2Very low65Low94 Ų9483.9 Ų83.950%0.50344%0.438SS..  trans-104.756-164.7-54.7-31000111.6I3 F7 R8I3-D5 PolarHBondContact O-N 3.3Å; D5-F7 PolarHBondContact O-N 3.18Å; D5-R8 HydrophobicContact CB-CB 4.16Å; D5-R8 WeakPolarHBondContact O-CB 3.48Å; D5-R8 PolarHBondContact O-N 3.02Å
6L51.8Low66.5Low77 Ų7778.9 Ų78.940%0.40341%0.412SS..THydrogen-bonded Turntrans-50.8-19.9166.1-72.3163.4000112.2S4S4-L6 PolarHBondContact O-N 2.83Å
7F55.5Low67.9Low155 Ų15575.9 Ų75.968%0.6839%0.394SS*.THydrogen-bonded Turntrans-68.9-28.2172-85.3-80.4000115.3D5 F9 E10D5-F7 PolarHBondContact O-N 3.18Å; F7-F9 PolarHBondContact O-N 2.97Å; F7-E10 VanDerWaalsContact CD1-OE2 3.3Å; F7-E10 WeakPolarHBondContact CD1-OE2 3.31Å; F7-E10 WeakPolarHBondContact CE1-OE2 3.43Å; F7-E10 WeakPolarHBondContact O-CB 3.41Å; F7-E10 PolarHBondContact O-N 3.21Å
8R65.4Low69.2Low125 Ų12578.4 Ų78.447%0.47240%0.404SS..THydrogen-bonded Turntrans-58.4-36.4-173.5-175172.8177.9-172-8.6112.1D5 F11 P12 D16D5-R8 HydrophobicContact CB-CB 4.16Å; D5-R8 WeakPolarHBondContact O-CB 3.48Å; D5-R8 PolarHBondContact O-N 3.02Å; R8-F11 CarbonylContact O-C 3.59Å; R8-P12 WeakPolarHBondContact O-CA 3.45Å; R8-D16 WeakPolarHBondContact CG-OD2 3.43Å; R8-D16 IonicContact CZ-OD1 3.69Å; R8-D16 VanDerWaalsContact NE-CG 3.25Å; R8-D16 IonicContact NE-OD1 3.6Å; R8-D16 PolarHBondContact NE-OD1 2.85Å; R8-D16 IonicContact NE-OD2 2.78Å; R8-D16 PolarHBondContact NE-OD2 2.79Å; R8-D16 IonicContact NH2-OD1 2.61Å; R8-D16 PolarHBondContact NH2-OD1 3.41Å
9F77.2Confident70.2Confident9 Ų976.7 Ų76.74%0.03940%0.395CS..THydrogen-bonded Turntrans-91.7-1.4178.6-61.4-77.4000114.2F7 D16 L19 L20 L43 Y47F7-F9 PolarHBondContact O-N 2.97Å; F9-D16 HydrophobicContact CD1-CB 4.11Å; F9-D16 HydrophobicContact CE1-CB 4Å; F9-D16 VanDerWaalsContact CE1-O 3.3Å; F9-D16 WeakPolarHBondContact CE1-O 3.42Å; F9-L19 HydrophobicContact CZ-CD2 3.97Å; F9-L19 HydrophobicContact CZ-CG 4.43Å; F9-L20 HydrophobicContact CD1-CB 4.02Å; F9-L20 HydrophobicContact CD1-CD1 4.46Å; F9-L20 HydrophobicContact CD1-CD2 4.11Å; F9-L20 HydrophobicContact CD1-CG 4.44Å; F9-L20 HydrophobicContact CE1-CB 4.01Å; F9-L43 HydrophobicContact CD2-CD2 3.55Å; F9-L43 HydrophobicContact CE2-CD1 4.14Å; F9-L43 HydrophobicContact CE2-CD2 3.8Å; F9-L43 HydrophobicContact CG-CD2 4.02Å; F9-L43 HydrophobicContact CZ-CD1 4.24Å; F9-L43 HydrophobicContact CZ-CD2 4.46Å; F9-Y47 VanDerWaalsContact C-OH 3.32Å; F9-Y47 HydrophobicContact CB-CE2 3.82Å; F9-Y47 WeakPolarHBondContact CB-OH 3.27Å; F9-Y47 PolarHBondContact O-OH 2.73Å
10E80.3Confident71.2Confident55 Ų5572.9 Ų72.926%0.25738%0.375SS..THydrogen-bonded Turntrans-72.3-38.5170.4-64.7-169.9169.900110.4F7 C102F7-E10 VanDerWaalsContact CD1-OE2 3.3Å; F7-E10 WeakPolarHBondContact CD1-OE2 3.31Å; F7-E10 WeakPolarHBondContact CE1-OE2 3.43Å; F7-E10 WeakPolarHBondContact O-CB 3.41Å; F7-E10 PolarHBondContact O-N 3.21Å; E10-C102 HydrophobicContact CB-CB 4.2Å; E10-C102 WeakPolarHBondContact O-CB 3Å
11F87Confident72.2Confident23 Ų2372 Ų7210%0.10137%0.37CS..SBendtrans-133.677.3174.7-167.4-119.7000110.3R8 L68 E70 A73 C102 L103 P104 F107R8-F11 CarbonylContact O-C 3.59Å; F11-L68 VanDerWaalsContact CD2-O 3.24Å; F11-L68 WeakPolarHBondContact CD2-O 3.21Å; F11-L68 HydrophobicContact CE2-CB 4.43Å; F11-L68 HydrophobicContact CE2-CD2 4.42Å; F11-L68 HydrophobicContact CE2-CG 4.29Å; F11-E70 HydrophobicContact CD1-CB 4.17Å; F11-E70 HydrophobicContact CE1-CB 3.68Å; F11-E70 HydrophobicContact CE1-CG 3.76Å; F11-E70 HydrophobicContact CZ-CB 4.1Å; F11-E70 HydrophobicContact CZ-CG 4.35Å; F11-A73 HydrophobicContact CE2-CB 3.95Å; F11-A73 HydrophobicContact CZ-CB 3.69Å; F11-C102 WeakPolarHBondContact CD2-O 3.23Å; F11-L103 HydrophobicContact CE2-CD1 3.89Å; F11-L103 HydrophobicContact CZ-CD1 3.94Å; F11-P104 HydrophobicContact CB-CG 3.53Å; F11-P104 HydrophobicContact CD1-CG 3.61Å; F11-P104 VanDerWaalsContact CD2-CD 3.46Å; F11-P104 HydrophobicContact CD2-CG 4.23Å; F11-P104 HydrophobicContact CE1-CG 4.28Å; F11-P104 HydrophobicContact CG-CG 3.54Å; F11-F107 HydrophobicContact CE1-CB 3.97Å; F11-F107 HydrophobicContact CE1-CD1 4Å; F11-F107 AromaticContact CE1-CD2 3.59Å; F11-F107 HydrophobicContact CE1-CD2 3.59Å; F11-F107 HydrophobicContact CE1-CE1 4.45Å; F11-F107 HydrophobicContact CE1-CE2 4.07Å; F11-F107 AromaticContact CE1-CG 3.55Å; F11-F107 HydrophobicContact CE1-CG 3.55Å; F11-F107 HydrophobicContact CE1-CZ 4.48Å; F11-F107 HydrophobicContact CZ-CB 4.49Å; F11-F107 AromaticContact CZ-CD1 3.73Å; F11-F107 HydrophobicContact CZ-CD1 3.73Å; F11-F107 HydrophobicContact CZ-CD2 4.01Å; F11-F107 AromaticContact CZ-CE1 3.9Å; F11-F107 HydrophobicContact CZ-CE1 3.9Å; F11-F107 HydrophobicContact CZ-CE2 4.17Å; F11-F107 AromaticContact CZ-CG 3.79Å; F11-F107 HydrophobicContact CZ-CG 3.79Å; F11-F107 HydrophobicContact CZ-CZ 4.12Å
12P89.5Confident75Confident0 Ų064.2 Ų64.20%033%0.333CS..  trans-70.8144.5-168.127.1-34.5000113R8 D16 Y17 L67 M69 E70R8-P12 WeakPolarHBondContact O-CA 3.45Å; P12-D16 HydrophobicContact CB-CB 3.5Å; P12-Y17 HydrophobicContact CG-CD2 4.14Å; P12-L67 HydrophobicContact CG-CB 4.4Å; P12-L67 HydrophobicContact CG-CD1 4.31Å; P12-M69 HydrophobicContact CG-CG 4.26Å; P12-M69 VanDerWaalsContact O-CA 3.28Å; P12-M69 WeakPolarHBondContact O-CA 3.05Å; P12-E70 PolarHBondContact O-N 2.92Å
13T90.1Very high77.5Confident43 Ų4359.4 Ų59.426%0.26430%0.299SS..  trans-68.3175.2157.866.50000110.5E15 D16 Y17T13-E15 VanDerWaalsContact C-N 3.31Å; T13-E15 PolarHBondContact O-N 2.96Å; T13-D16 WeakPolarHBondContact CB-OD2 3.38Å; T13-D16 PolarHBondContact N-OD2 2.89Å; T13-D16 PolarHBondContact O-N 3.3Å; T13-D16 PolarHBondContact OG1-N 2.96Å; T13-D16 PolarHBondContact OG1-OD1 2.72Å; T13-D16 PolarHBondContact OG1-OD2 3.21Å; T13-Y17 PolarHBondContact O-N 2.95Å
14A88.5Confident79.8Confident43 Ų4358 Ų5836%0.35529%0.293SS..Hα-helixtrans-60.8-42.4173.900000111.8D16 Y17 E18A14-D16 VanDerWaalsContact C-N 3.31Å; A14-D16 PolarHBondContact O-N 3.29Å; A14-Y17 WeakPolarHBondContact O-CB 3.37Å; A14-Y17 PolarHBondContact O-N 3.41Å; A14-E18 WeakPolarHBondContact O-CG 3.26Å; A14-E18 PolarHBondContact O-N 3.18Å
15E89Confident82Confident140 Ų14060.1 Ų60.165%0.65429%0.286SS*.Hα-helixtrans-64-37.6179.2-64.5157.3-173.500111.5T13 E18 L19T13-E15 VanDerWaalsContact C-N 3.31Å; T13-E15 PolarHBondContact O-N 2.96Å; E15-E18 PolarHBondContact O-N 3.24Å; E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 PolarHBondContact O-N 3.48Å
16D89.3Confident83.9Confident4 Ų460.5 Ų60.52%0.02128%0.281CS..Hα-helixtrans-66.6-42.2176-58.9-23.4000111.2R8 F9 P12 T13 A14 L19 L20R8-D16 WeakPolarHBondContact CG-OD2 3.43Å; R8-D16 IonicContact CZ-OD1 3.69Å; R8-D16 VanDerWaalsContact NE-CG 3.25Å; R8-D16 IonicContact NE-OD1 3.6Å; R8-D16 PolarHBondContact NE-OD1 2.85Å; R8-D16 IonicContact NE-OD2 2.78Å; R8-D16 PolarHBondContact NE-OD2 2.79Å; R8-D16 IonicContact NH2-OD1 2.61Å; R8-D16 PolarHBondContact NH2-OD1 3.41Å; F9-D16 HydrophobicContact CD1-CB 4.11Å; F9-D16 HydrophobicContact CE1-CB 4Å; F9-D16 VanDerWaalsContact CE1-O 3.3Å; F9-D16 WeakPolarHBondContact CE1-O 3.42Å; P12-D16 HydrophobicContact CB-CB 3.5Å; T13-D16 WeakPolarHBondContact CB-OD2 3.38Å; T13-D16 PolarHBondContact N-OD2 2.89Å; T13-D16 PolarHBondContact O-N 3.3Å; T13-D16 PolarHBondContact OG1-N 2.96Å; T13-D16 PolarHBondContact OG1-OD1 2.72Å; T13-D16 PolarHBondContact OG1-OD2 3.21Å; A14-D16 VanDerWaalsContact C-N 3.31Å; A14-D16 PolarHBondContact O-N 3.29Å; D16-L19 PolarHBondContact O-N 2.99Å; D16-L20 WeakPolarHBondContact O-CB 3.35Å; D16-L20 PolarHBondContact O-N 3.14Å
17Y90.6Very high84.8Confident29 Ų2961.7 Ų61.711%0.11430%0.295CS..Hα-helixtrans-64.1-43.4178.5-161.1-84.5000111.3P12 T13 A14 L19 L20 E21 I58 L67 M69P12-Y17 HydrophobicContact CG-CD2 4.14Å; T13-Y17 PolarHBondContact O-N 2.95Å; A14-Y17 WeakPolarHBondContact O-CB 3.37Å; A14-Y17 PolarHBondContact O-N 3.41Å; Y17-L19 PolarHBondContact O-N 3.01Å; Y17-L20 PolarHBondContact O-N 2.91Å; Y17-E21 VanDerWaalsContact O-CB 3.32Å; Y17-E21 WeakPolarHBondContact O-CB 3.22Å; Y17-E21 PolarHBondContact O-N 2.79Å; Y17-I58 HydrophobicContact CD1-CD1 4Å; Y17-I58 HydrophobicContact CD2-CD1 4.16Å; Y17-I58 HydrophobicContact CE1-CD1 3.65Å; Y17-I58 HydrophobicContact CE1-CG1 4.06Å; Y17-I58 HydrophobicContact CE2-CB 4.04Å; Y17-I58 HydrophobicContact CE2-CD1 3.86Å; Y17-I58 HydrophobicContact CE2-CG1 4.1Å; Y17-I58 HydrophobicContact CG-CD1 4.26Å; Y17-I58 PolarHBondContact OH-N 3.43Å; Y17-L67 HydrophobicContact CE2-CB 4.33Å; Y17-M69 WeakPolarHBondContact CB-SD 3.29Å; Y17-M69 HydrophobicContact CD1-SD 4.01Å; Y17-M69 HydrophobicContact CD2-CE 4.49Å; Y17-M69 HydrophobicContact CD2-CG 3.48Å; Y17-M69 VanDerWaalsContact CD2-CG 3.48Å; Y17-M69 HydrophobicContact CD2-SD 3.59Å; Y17-M69 VanDerWaalsContact CD2-SD 3.59Å; Y17-M69 HydrophobicContact CE2-CG 4.13Å; Y17-M69 HydrophobicContact CE2-SD 4.27Å; Y17-M69 HydrophobicContact CG-CE 4.48Å; Y17-M69 HydrophobicContact CG-CG 3.92Å; Y17-M69 HydrophobicContact CG-SD 3.4Å
18E90.5Very high85.2Confident120 Ų12056.6 Ų56.656%0.56129%0.287SS*.Hα-helixtrans-62.4-41.6175.2-72.8180-172.400112.2A14 E15 E21 N22A14-E18 WeakPolarHBondContact O-CG 3.26Å; A14-E18 PolarHBondContact O-N 3.18Å; E15-E18 PolarHBondContact O-N 3.24Å; E18-E21 PolarHBondContact O-N 3.44Å; E18-N22 WeakPolarHBondContact O-CB 3.49Å; E18-N22 PolarHBondContact O-N 2.99Å; E18-N22 PolarHBondContact O-ND2 3.24Å
19L89Confident84.9Confident46 Ų4660 Ų6024%0.24131%0.308CS..Hα-helixtrans-62.5-45.2174.9179.559.6000110.8F9 E15 D16 Y17 N22 V23 I32 L35F9-L19 HydrophobicContact CZ-CD2 3.97Å; F9-L19 HydrophobicContact CZ-CG 4.43Å; E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 PolarHBondContact O-N 3.48Å; D16-L19 PolarHBondContact O-N 2.99Å; Y17-L19 PolarHBondContact O-N 3.01Å; L19-N22 WeakPolarHBondContact O-CB 3.32Å; L19-N22 PolarHBondContact O-N 3.02Å; L19-V23 VanDerWaalsContact O-CG2 3.23Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.37Å; L19-I32 HydrophobicContact CD1-CG2 3.94Å; L19-L35 HydrophobicContact CD1-CD1 4.18Å; L19-L35 HydrophobicContact CD2-CD1 4.47Å; L19-L35 HydrophobicContact CG-CD1 4.37Å
20L90.5Very high84.3Confident0 Ų065.1 Ų65.10%033%0.332CS..Hα-helixtrans-66-40178.7-171.858.5000111.8F9 D16 Y17 N22 V23 L24 L43 Y47 I58 L67F9-L20 HydrophobicContact CD1-CB 4.02Å; F9-L20 HydrophobicContact CD1-CD1 4.46Å; F9-L20 HydrophobicContact CD1-CD2 4.11Å; F9-L20 HydrophobicContact CD1-CG 4.44Å; F9-L20 HydrophobicContact CE1-CB 4.01Å; D16-L20 WeakPolarHBondContact O-CB 3.35Å; D16-L20 PolarHBondContact O-N 3.14Å; Y17-L20 PolarHBondContact O-N 2.91Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.4Å; L20-V23 WeakPolarHBondContact O-CB 3.39Å; L20-V23 PolarHBondContact O-N 2.99Å; L20-L24 HydrophobicContact CD1-CD1 4.4Å; L20-L24 HydrophobicContact CD1-CG 4.37Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.19Å; L20-L43 HydrophobicContact CD1-CB 4.01Å; L20-L43 HydrophobicContact CD1-CD1 4.28Å; L20-L43 HydrophobicContact CD1-CD2 4.12Å; L20-L43 HydrophobicContact CD1-CG 4.36Å; L20-Y47 HydrophobicContact CD1-CD2 3.73Å; L20-Y47 HydrophobicContact CD1-CE2 4.46Å; L20-Y47 HydrophobicContact CD1-CG 4.19Å; L20-Y47 HydrophobicContact CD2-CD1 4.24Å; L20-Y47 HydrophobicContact CD2-CD2 3.96Å; L20-Y47 HydrophobicContact CD2-CE2 4.42Å; L20-Y47 HydrophobicContact CD2-CG 3.85Å; L20-Y47 HydrophobicContact CG-CD2 4.48Å; L20-I58 HydrophobicContact CB-CD1 4.11Å; L20-I58 HydrophobicContact CD2-CD1 4.04Å; L20-I58 HydrophobicContact CD2-CG2 3.75Å; L20-I58 HydrophobicContact CG-CD1 3.94Å; L20-I58 HydrophobicContact CG-CG2 4.32Å; L20-L67 HydrophobicContact CD2-CD1 3.55Å
21E91.4Very high83.9Confident55 Ų5566.8 Ų66.826%0.25735%0.35SS..Hα-helixtrans-59.3-45.8173.3168.2159.5-150.100111.2Y17 E18 V23 L24 R25 F49 I58Y17-E21 VanDerWaalsContact O-CB 3.32Å; Y17-E21 WeakPolarHBondContact O-CB 3.22Å; Y17-E21 PolarHBondContact O-N 2.79Å; E18-E21 PolarHBondContact O-N 3.44Å; E21-V23 VanDerWaalsContact C-N 3.31Å; E21-V23 PolarHBondContact O-N 3.48Å; E21-L24 PolarHBondContact O-N 2.86Å; E21-R25 HydrophobicContact CG-CG 4.22Å; E21-R25 WeakPolarHBondContact O-CB 3.39Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.17Å; E21-R25 IonicContact OE1-NE 2.72Å; E21-R25 PolarHBondContact OE1-NE 3.22Å; E21-R25 IonicContact OE1-NH2 2.91Å; E21-R25 PolarHBondContact OE1-NH2 2.61Å; E21-F49 HydrophobicContact CB-CZ 4.22Å; E21-F49 HydrophobicContact CG-CZ 3.98Å; E21-I58 HydrophobicContact CB-CD1 4.27Å
22N89.7Confident83.6Confident78 Ų7866 Ų6642%0.41735%0.347SS..Hα-helixtrans-60.5-40.1174.7-78.1-48.9000112.3E18 L19 L20 R26E18-N22 WeakPolarHBondContact O-CB 3.49Å; E18-N22 PolarHBondContact O-N 2.99Å; E18-N22 PolarHBondContact O-ND2 3.24Å; L19-N22 WeakPolarHBondContact O-CB 3.32Å; L19-N22 PolarHBondContact O-N 3.02Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.4Å; N22-R26 WeakPolarHBondContact O-CB 3.34Å; N22-R26 VanDerWaalsContact O-CG 3.31Å; N22-R26 WeakPolarHBondContact O-CG 3.4Å; N22-R26 PolarHBondContact O-N 3.42Å
23V89.3Confident83.1Confident0 Ų071.3 Ų71.30%038%0.381CS..Hα-helixtrans-61.3-43.4175.4169.70000112.2L19 L20 E21 I32 L35 V40 L43 R44L19-V23 VanDerWaalsContact O-CG2 3.23Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.37Å; L20-V23 WeakPolarHBondContact O-CB 3.39Å; L20-V23 PolarHBondContact O-N 2.99Å; E21-V23 VanDerWaalsContact C-N 3.31Å; E21-V23 PolarHBondContact O-N 3.48Å; V23-I32 VanDerWaalsContact CA-CD1 3.46Å; V23-I32 HydrophobicContact CB-CD1 3.9Å; V23-I32 HydrophobicContact CG1-CD1 4.36Å; V23-I32 HydrophobicContact CG2-CD1 3.43Å; V23-I32 VanDerWaalsContact CG2-CD1 3.43Å; V23-I32 HydrophobicContact CG2-CG2 4.42Å; V23-L35 HydrophobicContact CG2-CD1 3.55Å; V23-V40 HydrophobicContact CG1-CG1 4.22Å; V23-L43 HydrophobicContact CG1-CB 3.89Å; V23-L43 HydrophobicContact CG1-CD1 4.2Å; V23-L43 HydrophobicContact CG2-CD1 3.98Å; V23-R44 HydrophobicContact CG1-CG 4.04Å; V23-R44 PolarHBondContact O-NE 3Å; V23-R44 PolarHBondContact O-NH2 2.99Å
24L91.3Very high82.5Confident32 Ų3273 Ų7317%0.16841%0.407CS..Hα-helixtrans-81.2-34.4-175-65.4176.9000113.1L20 E21 R44 Y47 F49 I58L20-L24 HydrophobicContact CD1-CD1 4.4Å; L20-L24 HydrophobicContact CD1-CG 4.37Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.19Å; E21-L24 PolarHBondContact O-N 2.86Å; L24-R44 HydrophobicContact CD2-CG 4.2Å; L24-Y47 VanDerWaalsContact CD2-O 3.27Å; L24-Y47 WeakPolarHBondContact CD2-O 3.48Å; L24-F49 HydrophobicContact CB-CD2 3.91Å; L24-F49 HydrophobicContact CB-CE2 3.34Å; L24-F49 HydrophobicContact CB-CZ 4Å; L24-F49 HydrophobicContact CD1-CD2 4.5Å; L24-F49 HydrophobicContact CD1-CE2 4.26Å; L24-F49 HydrophobicContact CD1-CZ 4.39Å; L24-F49 HydrophobicContact CG-CE2 4.46Å; L24-I58 HydrophobicContact CD1-CB 4.49Å; L24-I58 HydrophobicContact CD1-CD1 4.16Å; L24-I58 HydrophobicContact CD1-CG1 4.04Å; L24-I58 HydrophobicContact CD1-CG2 3.71Å
25R90.3Very high82.2Confident134 Ų13472 Ų7251%0.50640%0.396SS..Hα-helixtrans-78.8-33.2-179.5-71.1-166.8-172.7-77.2-3.6113.7E21 S27 F49 E56E21-R25 HydrophobicContact CG-CG 4.22Å; E21-R25 WeakPolarHBondContact O-CB 3.39Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.17Å; E21-R25 IonicContact OE1-NE 2.72Å; E21-R25 PolarHBondContact OE1-NE 3.22Å; E21-R25 IonicContact OE1-NH2 2.91Å; E21-R25 PolarHBondContact OE1-NH2 2.61Å; R25-S27 PolarHBondContact O-N 3.27Å; R25-F49 HydrophobicContact CG-CE2 3.52Å; R25-F49 HydrophobicContact CG-CZ 3.81Å; R25-E56 IonicContact CZ-OE2 3.2Å; R25-E56 IonicContact NH1-OE2 2.79Å; R25-E56 PolarHBondContact NH1-OE2 2.99Å; R25-E56 IonicContact NH2-OE2 2.59Å; R25-E56 PolarHBondContact NH2-OE2 2.96Å
26R84.7Confident82Confident102 Ų10269.3 Ų69.339%0.38539%0.386SS..  trans-68.6122-177.7-75.7-175.1178.7-151.8-0.1110.7N22 R44N22-R26 WeakPolarHBondContact O-CB 3.34Å; N22-R26 VanDerWaalsContact O-CG 3.31Å; N22-R26 WeakPolarHBondContact O-CG 3.4Å; N22-R26 PolarHBondContact O-N 3.42Å; R26-R44 PolarHBondContact O-NH2 2.78Å
27S71Confident81.8Confident102 Ų10275.2 Ų75.271%0.71342%0.417SS*.  trans-80.5141.5171.854.90000111R25R25-S27 PolarHBondContact O-N 3.27Å
28G64.3Low81.5Confident49 Ų4980.3 Ų80.351%0.50544%0.442SS..SBendtrans83.4-166.4173.800000116.2Q30 R44G28-Q30 VanDerWaalsContact C-N 3.27Å; G28-Q30 PolarHBondContact O-N 2.87Å; G28-R44 PolarHBondContact O-NH1 3.04Å
29E60.2Low81.3Confident196 Ų19676.4 Ų76.492%0.91642%0.424SS*.SBendtrans-87.534.8-177.7-64.3176.5166.500112.5S31E29-S31 PolarHBondContact O-N 3.5Å
30Q63.1Low81.1Confident116 Ų11674.9 Ų74.954%0.54242%0.417SS..PPolyproline II helixtrans-74.1118.6174-67.6-174.13.700109.2G28 I32G28-Q30 VanDerWaalsContact C-N 3.27Å; G28-Q30 PolarHBondContact O-N 2.87Å; Q30-I32 PolarHBondContact O-N 3.34Å
31S72Confident80.9Confident90 Ų9081.8 Ų81.863%0.62945%0.447SS*.PPolyproline II helixtrans-56.8134.6179.373.50000110.8E29E29-S31 PolarHBondContact O-N 3.5Å
32I80.5Confident80.7Confident7 Ų781.1 Ų81.14%0.03645%0.448CS..PPolyproline II helixtrans-100.4120175.1-62.3179.1000107.5L19 V23 Q30 G34 L35 V40L19-I32 HydrophobicContact CD1-CG2 3.94Å; V23-I32 VanDerWaalsContact CA-CD1 3.46Å; V23-I32 HydrophobicContact CB-CD1 3.9Å; V23-I32 HydrophobicContact CG1-CD1 4.36Å; V23-I32 HydrophobicContact CG2-CD1 3.43Å; V23-I32 VanDerWaalsContact CG2-CD1 3.43Å; V23-I32 HydrophobicContact CG2-CG2 4.42Å; Q30-I32 PolarHBondContact O-N 3.34Å; I32-G34 PolarHBondContact O-N 3.45Å; I32-L35 HydrophobicContact CB-CB 4.35Å; I32-L35 HydrophobicContact CB-CD1 4.38Å; I32-L35 HydrophobicContact CG2-CB 4.45Å; I32-L35 HydrophobicContact CG2-CD1 3.89Å; I32-L35 HydrophobicContact CG2-CG 4.25Å; I32-L35 PolarHBondContact O-N 2.79Å; I32-L35 VanDerWaalsContact O-O 3.09Å; I32-V40 HydrophobicContact CB-CG2 4.25Å; I32-V40 HydrophobicContact CD1-CG1 4.32Å; I32-V40 HydrophobicContact CD1-CG2 3.96Å; I32-V40 HydrophobicContact CG1-CG2 4.3Å
33P79.3Confident80.7Confident112 Ų11278 Ų7873%0.72743%0.431SS*.THydrogen-bonded Turntrans-54.3125.3-179.1-25.534000111.3
34G78.3Confident80.6Confident78 Ų7882.2 Ų82.280%0.80445%0.447SS*.THydrogen-bonded Turntrans88.7-2.4179.700000115.6I32I32-G34 PolarHBondContact O-N 3.45Å
35L81.9Confident80.6Confident22 Ų2284 Ų8412%0.11547%0.466CS..  trans-124.1138.2175-58.4179.7000111I3 L19 V23 I32 E39 V40 L43I3-L35 HydrophobicContact CD1-CD2 3.26Å; L19-L35 HydrophobicContact CD1-CD1 4.18Å; L19-L35 HydrophobicContact CD2-CD1 4.47Å; L19-L35 HydrophobicContact CG-CD1 4.37Å; V23-L35 HydrophobicContact CG2-CD1 3.55Å; I32-L35 HydrophobicContact CB-CB 4.35Å; I32-L35 HydrophobicContact CB-CD1 4.38Å; I32-L35 HydrophobicContact CG2-CB 4.45Å; I32-L35 HydrophobicContact CG2-CD1 3.89Å; I32-L35 HydrophobicContact CG2-CG 4.25Å; I32-L35 PolarHBondContact O-N 2.79Å; I32-L35 VanDerWaalsContact O-O 3.09Å; L35-E39 VanDerWaalsContact CA-OE2 3.27Å; L35-E39 WeakPolarHBondContact CA-OE2 3.33Å; L35-E39 HydrophobicContact CB-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.36Å; L35-V40 HydrophobicContact CB-CG2 3.85Å; L35-V40 HydrophobicContact CD1-CG2 4.22Å; L35-L43 HydrophobicContact CD1-CD1 3.93Å
36D85.1Confident80.6Confident84 Ų8482.2 Ų82.245%0.44946%0.459SS..  trans-83.4167.5167.975.234.6000112.4Q38 E39 V40D36-Q38 PolarHBondContact O-N 2.79Å; D36-Q38 WeakPolarHBondContact OD1-CA 3.39Å; D36-Q38 VanDerWaalsContact OD1-CB 3.26Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.39Å; D36-Q38 PolarHBondContact OD1-N 2.83Å; D36-E39 PolarHBondContact N-OE2 3.23Å; D36-E39 PolarHBondContact O-N 3.49Å; D36-E39 WeakPolarHBondContact OD1-CG 3.4Å; D36-E39 PolarHBondContact OD1-N 2.94Å; D36-V40 WeakPolarHBondContact O-CG2 3.47Å; D36-V40 PolarHBondContact O-N 3.03Å
37D84.1Confident81Confident127 Ų12777.7 Ų77.768%0.67944%0.443SS*.Hα-helixtrans-60.5-30.3-177.4-66-27.4000112.9K41D37-K41 VanDerWaalsContact O-CB 3.22Å; D37-K41 WeakPolarHBondContact O-CB 3.27Å; D37-K41 PolarHBondContact O-N 2.93Å
38Q85.3Confident82.1Confident137 Ų13775.2 Ų75.264%0.6443%0.425SS*.Hα-helixtrans-73.9-40.2179.7-174.274.9-3.600110.6D36 K41 C42D36-Q38 PolarHBondContact O-N 2.79Å; D36-Q38 WeakPolarHBondContact OD1-CA 3.39Å; D36-Q38 VanDerWaalsContact OD1-CB 3.26Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.39Å; D36-Q38 PolarHBondContact OD1-N 2.83Å; Q38-K41 PolarHBondContact O-N 2.59Å; Q38-C42 VanDerWaalsContact O-CB 3.29Å; Q38-C42 WeakPolarHBondContact O-CB 3.37Å; Q38-C42 PolarHBondContact O-N 2.69Å
39E85.5Confident83.5Confident38 Ų3875.2 Ų75.218%0.17841%0.411CS..Hα-helixtrans-63.9-47.7175-69169152.400110.6I3 L35 D36 K41 C42 L43I3-E39 HydrophobicContact CB-CG 4.47Å; I3-E39 VanDerWaalsContact CB-OE1 3.23Å; I3-E39 WeakPolarHBondContact CB-OE1 3.37Å; I3-E39 HydrophobicContact CD1-CB 4.06Å; I3-E39 HydrophobicContact CD1-CG 3.72Å; I3-E39 WeakPolarHBondContact CD1-OE1 3.45Å; I3-E39 WeakPolarHBondContact CD1-OE2 3.18Å; I3-E39 HydrophobicContact CG1-CG 4.44Å; I3-E39 WeakPolarHBondContact CG1-OE1 3.32Å; L35-E39 VanDerWaalsContact CA-OE2 3.27Å; L35-E39 WeakPolarHBondContact CA-OE2 3.33Å; L35-E39 HydrophobicContact CB-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.36Å; D36-E39 PolarHBondContact N-OE2 3.23Å; D36-E39 PolarHBondContact O-N 3.49Å; D36-E39 WeakPolarHBondContact OD1-CG 3.4Å; D36-E39 PolarHBondContact OD1-N 2.94Å; E39-K41 PolarHBondContact O-N 3.27Å; E39-C42 WeakPolarHBondContact O-CB 3.47Å; E39-C42 PolarHBondContact O-N 3.33Å; E39-C42 VanDerWaalsContact O-N 3.14Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.44Å
40V85.8Confident85.1Confident14 Ų1470.3 Ų70.39%0.08539%0.391CS..Hα-helixtrans-58.3-47174.91730000111.1V23 I32 L35 D36 C42 L43 R44V23-V40 HydrophobicContact CG1-CG1 4.22Å; I32-V40 HydrophobicContact CB-CG2 4.25Å; I32-V40 HydrophobicContact CD1-CG1 4.32Å; I32-V40 HydrophobicContact CD1-CG2 3.96Å; I32-V40 HydrophobicContact CG1-CG2 4.3Å; L35-V40 HydrophobicContact CB-CG2 3.85Å; L35-V40 HydrophobicContact CD1-CG2 4.22Å; D36-V40 WeakPolarHBondContact O-CG2 3.47Å; D36-V40 PolarHBondContact O-N 3.03Å; V40-C42 VanDerWaalsContact C-N 3.31Å; V40-C42 PolarHBondContact O-N 3.21Å; V40-L43 PolarHBondContact O-N 3.41Å; V40-R44 WeakPolarHBondContact O-CG 3.34Å; V40-R44 PolarHBondContact O-N 2.77Å
41K85.9Confident86.4Confident145 Ų14572.3 Ų72.363%0.6340%0.398SS*.Hα-helixtrans-62.2-39176.7-175.4178-179.7179.20111.9D37 Q38 E39 A45D37-K41 VanDerWaalsContact O-CB 3.22Å; D37-K41 WeakPolarHBondContact O-CB 3.27Å; D37-K41 PolarHBondContact O-N 2.93Å; Q38-K41 PolarHBondContact O-N 2.59Å; E39-K41 PolarHBondContact O-N 3.27Å; K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.31Å
42C87.6Confident87Confident41 Ų4171 Ų7128%0.27738%0.383SS..Hα-helixtrans-65.1-46.5178.3-162.80000111.6Q38 E39 V40 A45 R46Q38-C42 VanDerWaalsContact O-CB 3.29Å; Q38-C42 WeakPolarHBondContact O-CB 3.37Å; Q38-C42 PolarHBondContact O-N 2.69Å; E39-C42 WeakPolarHBondContact O-CB 3.47Å; E39-C42 PolarHBondContact O-N 3.33Å; E39-C42 VanDerWaalsContact O-N 3.14Å; V40-C42 VanDerWaalsContact C-N 3.31Å; V40-C42 PolarHBondContact O-N 3.21Å; C42-A45 PolarHBondContact O-N 2.88Å; C42-R46 VanDerWaalsContact O-CG 3.32Å; C42-R46 WeakPolarHBondContact O-CG 3.49Å; C42-R46 PolarHBondContact O-N 3.05Å; C42-R46 VanDerWaalsContact O-N 3.15Å; C42-R46 PolarHBondContact SG-NE 2.87Å
43L88.8Confident87.2Confident13 Ų1379 Ų797%0.06842%0.421CS..Hα-helixtrans-61.2-45.7177.2-68.7176.3000111.3F9 L20 V23 L35 E39 V40 A45 R46 Y47F9-L43 HydrophobicContact CD2-CD2 3.55Å; F9-L43 HydrophobicContact CE2-CD1 4.14Å; F9-L43 HydrophobicContact CE2-CD2 3.8Å; F9-L43 HydrophobicContact CG-CD2 4.02Å; F9-L43 HydrophobicContact CZ-CD1 4.24Å; F9-L43 HydrophobicContact CZ-CD2 4.46Å; L20-L43 HydrophobicContact CD1-CB 4.01Å; L20-L43 HydrophobicContact CD1-CD1 4.28Å; L20-L43 HydrophobicContact CD1-CD2 4.12Å; L20-L43 HydrophobicContact CD1-CG 4.36Å; V23-L43 HydrophobicContact CG1-CB 3.89Å; V23-L43 HydrophobicContact CG1-CD1 4.2Å; V23-L43 HydrophobicContact CG2-CD1 3.98Å; L35-L43 HydrophobicContact CD1-CD1 3.93Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.44Å; V40-L43 PolarHBondContact O-N 3.41Å; L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.85Å; L43-R46 PolarHBondContact O-N 3.15Å; L43-Y47 HydrophobicContact CD2-CD2 4.12Å; L43-Y47 HydrophobicContact CD2-CE2 3.86Å; L43-Y47 WeakPolarHBondContact O-CD2 3.48Å; L43-Y47 PolarHBondContact O-N 3.05Å
44R88.4Confident87.6Confident88 Ų8881.3 Ų81.333%0.33243%0.427SS..Hα-helixtrans-63.8-28.1176.2-72.5178.2177171.22.8113.9V23 L24 R26 G28 V40 R46V23-R44 HydrophobicContact CG1-CG 4.04Å; V23-R44 PolarHBondContact O-NE 3Å; V23-R44 PolarHBondContact O-NH2 2.99Å; L24-R44 HydrophobicContact CD2-CG 4.2Å; R26-R44 PolarHBondContact O-NH2 2.78Å; G28-R44 PolarHBondContact O-NH1 3.04Å; V40-R44 WeakPolarHBondContact O-CG 3.34Å; V40-R44 PolarHBondContact O-N 2.77Å; R44-R46 VanDerWaalsContact C-N 3.34Å
45A89.8Confident87.9Confident70 Ų7081.3 Ų81.358%0.57941%0.414SS*.Hα-helixtrans-77.9-21.417500000112.8K41 C42 L43K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.31Å; C42-A45 PolarHBondContact O-N 2.88Å; L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.85Å
46R90.8Very high88.3Confident95 Ų9584.9 Ų84.936%0.35843%0.43SS..Hα-helixtrans-102.9-25.5-174.7-70.8178.5-176.5-145.73.4113.6C42 L43 R44 A60 V61C42-R46 VanDerWaalsContact O-CG 3.32Å; C42-R46 WeakPolarHBondContact O-CG 3.49Å; C42-R46 PolarHBondContact O-N 3.05Å; C42-R46 VanDerWaalsContact O-N 3.15Å; C42-R46 PolarHBondContact SG-NE 2.87Å; L43-R46 PolarHBondContact O-N 3.15Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R46-A60 CarbonylContact O-C 3.59Å; R46-A60 WeakPolarHBondContact O-CA 3.16Å; R46-V61 WeakPolarHBondContact O-CB 3.32Å; R46-V61 WeakPolarHBondContact O-CG2 3.48Å; R46-V61 PolarHBondContact O-N 2.78Å
47Y93.2Very high88.6Confident8 Ų882.2 Ų82.23%0.03142%0.416CS..EExtended strand (participates in β ladder)trans-130.6147.8-174.1-53.5-72.9000111.6F9 L20 L24 L43 I58 F59 A60 L67F9-Y47 VanDerWaalsContact C-OH 3.32Å; F9-Y47 HydrophobicContact CB-CE2 3.82Å; F9-Y47 WeakPolarHBondContact CB-OH 3.27Å; F9-Y47 PolarHBondContact O-OH 2.73Å; L20-Y47 HydrophobicContact CD1-CD2 3.73Å; L20-Y47 HydrophobicContact CD1-CE2 4.46Å; L20-Y47 HydrophobicContact CD1-CG 4.19Å; L20-Y47 HydrophobicContact CD2-CD1 4.24Å; L20-Y47 HydrophobicContact CD2-CD2 3.96Å; L20-Y47 HydrophobicContact CD2-CE2 4.42Å; L20-Y47 HydrophobicContact CD2-CG 3.85Å; L20-Y47 HydrophobicContact CG-CD2 4.48Å; L24-Y47 VanDerWaalsContact CD2-O 3.27Å; L24-Y47 WeakPolarHBondContact CD2-O 3.48Å; L43-Y47 HydrophobicContact CD2-CD2 4.12Å; L43-Y47 HydrophobicContact CD2-CE2 3.86Å; L43-Y47 WeakPolarHBondContact O-CD2 3.48Å; L43-Y47 PolarHBondContact O-N 3.05Å; Y47-I58 HydrophobicContact CD1-CG2 4.42Å; Y47-I58 HydrophobicContact CG-CG2 4.43Å; Y47-F59 CarbonylContact C-O 3.59Å; Y47-F59 WeakPolarHBondContact CA-O 3.4Å; Y47-A60 HydrophobicContact CD1-CB 4.11Å; Y47-A60 HydrophobicContact CE1-CB 4.03Å; Y47-L67 HydrophobicContact CD1-CD1 3.8Å; Y47-L67 HydrophobicContact CD1-CD2 4.27Å; Y47-L67 HydrophobicContact CD1-CG 4.27Å; Y47-L67 HydrophobicContact CE1-CD1 3.9Å; Y47-L67 HydrophobicContact CE1-CD2 3.86Å; Y47-L67 HydrophobicContact CE1-CG 4.31Å
48C94Very high89.1Confident50 Ų5076.1 Ų76.134%0.33838%0.384SS..EExtended strand (participates in β ladder)trans-148159.6175.562.20000110.6I58 F59 V61C48-I58 CarbonylContact O-C 3.57Å; C48-I58 WeakPolarHBondContact O-CA 3.49Å; C48-F59 PolarHBondContact N-O 2.84Å; C48-F59 PolarHBondContact O-N 3.45Å; C48-V61 HydrophobicContact CB-CG2 4.23Å
49F94.3Very high89.5Confident49 Ų4970.7 Ų70.722%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-78.6138.5166.9-71.8-66.4000110.7E21 L24 R25 E56 I58E21-F49 HydrophobicContact CB-CZ 4.22Å; E21-F49 HydrophobicContact CG-CZ 3.98Å; L24-F49 HydrophobicContact CB-CD2 3.91Å; L24-F49 HydrophobicContact CB-CE2 3.34Å; L24-F49 HydrophobicContact CB-CZ 4Å; L24-F49 HydrophobicContact CD1-CD2 4.5Å; L24-F49 HydrophobicContact CD1-CE2 4.26Å; L24-F49 HydrophobicContact CD1-CZ 4.39Å; L24-F49 HydrophobicContact CG-CE2 4.46Å; R25-F49 HydrophobicContact CG-CE2 3.52Å; R25-F49 HydrophobicContact CG-CZ 3.81Å; F49-E56 HydrophobicContact CB-CG 3.88Å; F49-E56 HydrophobicContact CD1-CG 3.61Å; F49-E56 HydrophobicContact CE1-CG 4.41Å; F49-E56 HydrophobicContact CG-CG 3.96Å; F49-I58 HydrophobicContact CD1-CG1 3.9Å; F49-I58 HydrophobicContact CE1-CD1 4.19Å; F49-I58 HydrophobicContact CE1-CG1 3.48Å; F49-I58 VanDerWaalsContact CE1-CG1 3.48Å; F49-I58 HydrophobicContact CZ-CG1 4.2Å
50D93.7Very high89.8Confident92 Ų9268.9 Ų68.949%0.49235%0.35SS..EExtended strand (participates in β ladder)trans-147.6173.7167.8-156.5-10.6000109.3E56 V57 F59D50-E56 WeakPolarHBondContact O-CA 3.28Å; D50-V57 PolarHBondContact N-O 3.18Å; D50-V57 PolarHBondContact O-N 3.16Å; D50-V57 VanDerWaalsContact O-O 3.12Å; D50-F59 HydrophobicContact CB-CD2 3.45Å; D50-F59 VanDerWaalsContact CB-CD2 3.45Å; D50-F59 HydrophobicContact CB-CE2 3.58Å; D50-F59 HydrophobicContact CB-CG 4.06Å; D50-F59 HydrophobicContact CB-CZ 4.32Å
51K89.4Confident90Very high158 Ų15871.5 Ų71.569%0.68737%0.366SS*.EExtended strand (participates in β ladder)trans-99.9130.2-176.6-69-173.5178.2-175.90112.2C55K51-C55 CarbonylContact C-O 3.4Å; K51-C55 WeakPolarHBondContact CA-O 3.4Å
52L86.2Confident90.2Very high62 Ų6276 Ų7633%0.32538%0.379SS..EExtended strand (participates in β ladder)trans-124118.8168.1-175.667.9000108.4N54 C55 V57 P66L52-N54 PolarHBondContact O-N 3.12Å; L52-N54 VanDerWaalsContact O-N 3.12Å; L52-C55 PolarHBondContact N-O 2.91Å; L52-C55 WeakPolarHBondContact O-CA 3.43Å; L52-C55 WeakPolarHBondContact O-CB 3.24Å; L52-C55 PolarHBondContact O-N 3.36Å; L52-V57 HydrophobicContact CB-CG2 3.77Å; L52-P66 HydrophobicContact CD2-CB 4.39Å; L52-P66 HydrophobicContact CD2-CG 4.17Å
53E84.7Confident90.3Very high177 Ų17776.8 Ų76.883%0.82738%0.382SS*.THydrogen-bonded Turntrans51.337.6176.9-58.6-175.7167.400114.8C55E53-C55 VanDerWaalsContact C-N 3.28Å; E53-C55 PolarHBondContact O-N 2.84Å
54N86.2Confident90.4Very high160 Ų16084.5 Ų84.586%0.85642%0.415SS*.THydrogen-bonded Turntrans75.10.3-174.5-47.6-63.6000116.2L52L52-N54 PolarHBondContact O-N 3.12Å; L52-N54 VanDerWaalsContact O-N 3.12Å
55C85.2Confident90.6Very high78 Ų7883.2 Ų83.253%0.52741%0.412SS..EExtended strand (participates in β ladder)trans-94.5136.5171.2-650000110.3K51 L52 E53 V57K51-C55 CarbonylContact C-O 3.4Å; K51-C55 WeakPolarHBondContact CA-O 3.4Å; L52-C55 PolarHBondContact N-O 2.91Å; L52-C55 WeakPolarHBondContact O-CA 3.43Å; L52-C55 WeakPolarHBondContact O-CB 3.24Å; L52-C55 PolarHBondContact O-N 3.36Å; E53-C55 VanDerWaalsContact C-N 3.28Å; E53-C55 PolarHBondContact O-N 2.84Å; C55-V57 HydrophobicContact CB-CG1 4.32Å
56E90.2Very high90.8Very high96 Ų9680.3 Ų80.345%0.44939%0.387SS..EExtended strand (participates in β ladder)trans-76.7123.5168.1-176.5174.1-108.100108.4R25 F49 D50R25-E56 IonicContact CZ-OE2 3.2Å; R25-E56 IonicContact NH1-OE2 2.79Å; R25-E56 PolarHBondContact NH1-OE2 2.99Å; R25-E56 IonicContact NH2-OE2 2.59Å; R25-E56 PolarHBondContact NH2-OE2 2.96Å; F49-E56 HydrophobicContact CB-CG 3.88Å; F49-E56 HydrophobicContact CD1-CG 3.61Å; F49-E56 HydrophobicContact CE1-CG 4.41Å; F49-E56 HydrophobicContact CG-CG 3.96Å; D50-E56 WeakPolarHBondContact O-CA 3.28Å
57V92.2Very high90.9Very high28 Ų2876.2 Ų76.217%0.1737%0.372CS..EExtended strand (participates in β ladder)trans-133.7155179-570000110.1D50 L52 C55 F59 P66D50-V57 PolarHBondContact N-O 3.18Å; D50-V57 PolarHBondContact O-N 3.16Å; D50-V57 VanDerWaalsContact O-O 3.12Å; L52-V57 HydrophobicContact CB-CG2 3.77Å; C55-V57 HydrophobicContact CB-CG1 4.32Å; V57-F59 HydrophobicContact CG2-CD2 3.73Å; V57-F59 HydrophobicContact CG2-CE2 3.21Å; V57-F59 HydrophobicContact CG2-CZ 4.11Å; V57-F59 WeakPolarHBondContact O-CD2 3.11Å; V57-P66 HydrophobicContact CG2-CB 4.02Å
58I94.4Very high90.8Very high0 Ų075.9 Ų75.90%037%0.371CS..EExtended strand (participates in β ladder)trans-79.4126.2176.1-56.4173000109.7Y17 L20 E21 L24 Y47 C48 F49 L67Y17-I58 HydrophobicContact CD1-CD1 4Å; Y17-I58 HydrophobicContact CD2-CD1 4.16Å; Y17-I58 HydrophobicContact CE1-CD1 3.65Å; Y17-I58 HydrophobicContact CE1-CG1 4.06Å; Y17-I58 HydrophobicContact CE2-CB 4.04Å; Y17-I58 HydrophobicContact CE2-CD1 3.86Å; Y17-I58 HydrophobicContact CE2-CG1 4.1Å; Y17-I58 HydrophobicContact CG-CD1 4.26Å; Y17-I58 PolarHBondContact OH-N 3.43Å; L20-I58 HydrophobicContact CB-CD1 4.11Å; L20-I58 HydrophobicContact CD2-CD1 4.04Å; L20-I58 HydrophobicContact CD2-CG2 3.75Å; L20-I58 HydrophobicContact CG-CD1 3.94Å; L20-I58 HydrophobicContact CG-CG2 4.32Å; E21-I58 HydrophobicContact CB-CD1 4.27Å; L24-I58 HydrophobicContact CD1-CB 4.49Å; L24-I58 HydrophobicContact CD1-CD1 4.16Å; L24-I58 HydrophobicContact CD1-CG1 4.04Å; L24-I58 HydrophobicContact CD1-CG2 3.71Å; Y47-I58 HydrophobicContact CD1-CG2 4.42Å; Y47-I58 HydrophobicContact CG-CG2 4.43Å; C48-I58 CarbonylContact O-C 3.57Å; C48-I58 WeakPolarHBondContact O-CA 3.49Å; F49-I58 HydrophobicContact CD1-CG1 3.9Å; F49-I58 HydrophobicContact CE1-CD1 4.19Å; F49-I58 HydrophobicContact CE1-CG1 3.48Å; F49-I58 VanDerWaalsContact CE1-CG1 3.48Å; F49-I58 HydrophobicContact CZ-CG1 4.2Å; I58-L67 HydrophobicContact CB-CD1 4.16Å; I58-L67 HydrophobicContact CG2-CD1 3.66Å; I58-L67 HydrophobicContact CG2-CG 4.25Å; I58-L67 PolarHBondContact O-N 3.32Å
59F94.2Very high90.6Very high22 Ų2274.8 Ų74.810%0.09636%0.361CS..EExtended strand (participates in β ladder)trans-106.5146.6174.9-81.8-110.5000111Y47 C48 D50 V57 K65 P66Y47-F59 CarbonylContact C-O 3.59Å; Y47-F59 WeakPolarHBondContact CA-O 3.4Å; C48-F59 PolarHBondContact N-O 2.84Å; C48-F59 PolarHBondContact O-N 3.45Å; D50-F59 HydrophobicContact CB-CD2 3.45Å; D50-F59 VanDerWaalsContact CB-CD2 3.45Å; D50-F59 HydrophobicContact CB-CE2 3.58Å; D50-F59 HydrophobicContact CB-CG 4.06Å; D50-F59 HydrophobicContact CB-CZ 4.32Å; V57-F59 HydrophobicContact CG2-CD2 3.73Å; V57-F59 HydrophobicContact CG2-CE2 3.21Å; V57-F59 HydrophobicContact CG2-CZ 4.11Å; V57-F59 WeakPolarHBondContact O-CD2 3.11Å; F59-K65 WeakPolarHBondContact CA-O 3.36Å; F59-P66 HydrophobicContact CE1-CB 4.35Å; F59-P66 VanDerWaalsContact CE1-CD 3.48Å; F59-P66 HydrophobicContact CE1-CG 4.44Å; F59-P66 HydrophobicContact CE2-CB 4.31Å; F59-P66 HydrophobicContact CZ-CB 4.19Å; F59-P66 HydrophobicContact CZ-CG 4.48Å
60A91.9Very high90.4Very high1 Ų176.3 Ų76.31%0.00837%0.369CS..EExtended strand (participates in β ladder)trans-83.1116.916400000110R46 Y47 R62 T63 K64 K65 L67 H101R46-A60 CarbonylContact O-C 3.59Å; R46-A60 WeakPolarHBondContact O-CA 3.16Å; Y47-A60 HydrophobicContact CD1-CB 4.11Å; Y47-A60 HydrophobicContact CE1-CB 4.03Å; A60-R62 PolarHBondContact O-N 2.9Å; A60-T63 PolarHBondContact O-N 3.38Å; A60-K64 WeakPolarHBondContact O-CA 3.42Å; A60-K64 PolarHBondContact O-N 2.94Å; A60-K65 PolarHBondContact N-O 3.01Å; A60-L67 HydrophobicContact CB-CD2 4.35Å; A60-H101 HydrophobicContact CB-CB 3.92Å; A60-H101 WeakPolarHBondContact CB-CE1 3.47Å; A60-H101 WeakPolarHBondContact CB-ND1 3.47Å
61V90Very high90.2Very high68 Ų6875.7 Ų75.741%0.41236%0.363SS..THydrogen-bonded Turntrans-53.6-41.2-176.1173.60000111.6R46 C48R46-V61 WeakPolarHBondContact O-CB 3.32Å; R46-V61 WeakPolarHBondContact O-CG2 3.48Å; R46-V61 PolarHBondContact O-N 2.78Å; C48-V61 HydrophobicContact CB-CG2 4.23Å
62R89.4Confident90.3Very high241 Ų24171.7 Ų71.791%0.90935%0.348SS*.THydrogen-bonded Turntrans-64.8-42.9-176.9-175.9179.2177.4-176.8-0.4112.9A60A60-R62 PolarHBondContact O-N 2.9Å
63T89.6Confident90.5Very high56 Ų5668.8 Ų68.834%0.34433%0.332SS..THydrogen-bonded Turntrans-96.2-13.4-176.861.50000112.7A60 K65 H101A60-T63 PolarHBondContact O-N 3.38Å; T63-K65 WeakPolarHBondContact O-CG 3.45Å; T63-K65 PolarHBondContact O-N 3.11Å; T63-K65 PolarHBondContact OG1-N 3.05Å; T63-H101 VanDerWaalsContact CG2-ND1 3.28Å; T63-H101 WeakPolarHBondContact CG2-ND1 3.17Å; T63-H101 PolarHBondContact OG1-ND1 3.27Å
64K90.5Very high90.8Very high176 Ų17662.9 Ų62.977%0.76531%0.309SS*.THydrogen-bonded Turntrans52.836.7-170.4-54.4-178.6179.5-177.30112.2A60A60-K64 WeakPolarHBondContact O-CA 3.42Å; A60-K64 PolarHBondContact O-N 2.94Å
65K92.3Very high91Very high61 Ų6163.3 Ų63.327%0.26530%0.298SS..EExtended strand (participates in β ladder)trans-119146.5178.2-62.7-173.5-172-170.90110.2F59 A60 T63 R97 E98 Y100 H101F59-K65 WeakPolarHBondContact CA-O 3.36Å; A60-K65 PolarHBondContact N-O 3.01Å; T63-K65 WeakPolarHBondContact O-CG 3.45Å; T63-K65 PolarHBondContact O-N 3.11Å; T63-K65 PolarHBondContact OG1-N 3.05Å; K65-R97 PolarHBondContact NZ-O 2.94Å; K65-E98 WeakPolarHBondContact CE-O 3.48Å; K65-E98 PolarHBondContact NZ-O 3.32Å; K65-Y100 WeakPolarHBondContact CD-O 3.46Å; K65-H101 HydrophobicContact CB-CB 4.19Å
66P93.7Very high91.4Very high9 Ų961.5 Ų61.56%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-61.8148.3172.827.4-35.5000110.8L52 V57 F59 S99 Y100 H101L52-P66 HydrophobicContact CD2-CB 4.39Å; L52-P66 HydrophobicContact CD2-CG 4.17Å; V57-P66 HydrophobicContact CG2-CB 4.02Å; F59-P66 HydrophobicContact CE1-CB 4.35Å; F59-P66 VanDerWaalsContact CE1-CD 3.48Å; F59-P66 HydrophobicContact CE1-CG 4.44Å; F59-P66 HydrophobicContact CE2-CB 4.31Å; F59-P66 HydrophobicContact CZ-CB 4.19Å; F59-P66 HydrophobicContact CZ-CG 4.48Å; P66-S99 WeakPolarHBondContact CD-O 3.32Å; P66-Y100 HydrophobicContact CB-CD1 4.07Å; P66-Y100 HydrophobicContact CB-CE1 4.18Å; P66-Y100 HydrophobicContact CG-CD1 3.59Å; P66-Y100 HydrophobicContact CG-CE1 3.76Å; P66-Y100 HydrophobicContact CG-CG 4.39Å; P66-H101 PolarHBondContact O-N 3.32Å
67L92.8Very high91.3Very high9 Ų956.9 Ų56.95%0.04726%0.261CS..PPolyproline II helixtrans-73.4132.3167.7-69-175.2000109.8P12 Y17 L20 Y47 I58 A60 H101P12-L67 HydrophobicContact CG-CB 4.4Å; P12-L67 HydrophobicContact CG-CD1 4.31Å; Y17-L67 HydrophobicContact CE2-CB 4.33Å; L20-L67 HydrophobicContact CD2-CD1 3.55Å; Y47-L67 HydrophobicContact CD1-CD1 3.8Å; Y47-L67 HydrophobicContact CD1-CD2 4.27Å; Y47-L67 HydrophobicContact CD1-CG 4.27Å; Y47-L67 HydrophobicContact CE1-CD1 3.9Å; Y47-L67 HydrophobicContact CE1-CD2 3.86Å; Y47-L67 HydrophobicContact CE1-CG 4.31Å; I58-L67 HydrophobicContact CB-CD1 4.16Å; I58-L67 HydrophobicContact CG2-CD1 3.66Å; I58-L67 HydrophobicContact CG2-CG 4.25Å; I58-L67 PolarHBondContact O-N 3.32Å; A60-L67 HydrophobicContact CB-CD2 4.35Å; L67-H101 HydrophobicContact CD2-CB 3.85Å; L67-H101 VanDerWaalsContact CD2-CD2 3.49Å; L67-H101 WeakPolarHBondContact CD2-CD2 3.37Å
68L91.2Very high91Very high0 Ų057.6 Ų57.60%027%0.27CS..PPolyproline II helixtrans-99120.1171-175.159.2000108.4F11 M72 A73 M76 Y100 L103F11-L68 VanDerWaalsContact CD2-O 3.24Å; F11-L68 WeakPolarHBondContact CD2-O 3.21Å; F11-L68 HydrophobicContact CE2-CB 4.43Å; F11-L68 HydrophobicContact CE2-CD2 4.42Å; F11-L68 HydrophobicContact CE2-CG 4.29Å; L68-M72 HydrophobicContact CD1-CB 3.95Å; L68-A73 HydrophobicContact CD1-CB 4.47Å; L68-A73 HydrophobicContact CD2-CB 3.67Å; L68-A73 HydrophobicContact CG-CB 3.9Å; L68-M76 HydrophobicContact CD1-SD 3.86Å; L68-Y100 HydrophobicContact CB-CD1 3.61Å; L68-Y100 HydrophobicContact CB-CE1 4.33Å; L68-Y100 HydrophobicContact CB-CG 3.76Å; L68-Y100 HydrophobicContact CD1-CD1 4.12Å; L68-Y100 HydrophobicContact CD1-CE1 4Å; L68-Y100 HydrophobicContact CD1-CE2 4.5Å; L68-Y100 HydrophobicContact CD1-CG 4.42Å; L68-Y100 HydrophobicContact CD2-CD2 4.22Å; L68-Y100 HydrophobicContact CD2-CG 4.17Å; L68-Y100 HydrophobicContact CG-CD1 4.32Å; L68-Y100 HydrophobicContact CG-CG 4.34Å; L68-L103 HydrophobicContact CD2-CD1 4.25Å
69M90.8Very high90.8Very high27 Ų2760.8 Ų60.813%0.13329%0.287CS..PPolyproline II helixtrans-74.4146.7173.2-67.4-177.9-74.400110.7P12 Y17 H71 M72 A73P12-M69 HydrophobicContact CG-CG 4.26Å; P12-M69 VanDerWaalsContact O-CA 3.28Å; P12-M69 WeakPolarHBondContact O-CA 3.05Å; Y17-M69 WeakPolarHBondContact CB-SD 3.29Å; Y17-M69 HydrophobicContact CD1-SD 4.01Å; Y17-M69 HydrophobicContact CD2-CE 4.49Å; Y17-M69 HydrophobicContact CD2-CG 3.48Å; Y17-M69 VanDerWaalsContact CD2-CG 3.48Å; Y17-M69 HydrophobicContact CD2-SD 3.59Å; Y17-M69 VanDerWaalsContact CD2-SD 3.59Å; Y17-M69 HydrophobicContact CE2-CG 4.13Å; Y17-M69 HydrophobicContact CE2-SD 4.27Å; Y17-M69 HydrophobicContact CG-CE 4.48Å; Y17-M69 HydrophobicContact CG-CG 3.92Å; Y17-M69 HydrophobicContact CG-SD 3.4Å; M69-H71 PolarHBondContact O-N 2.82Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; M69-M72 HydrophobicContact CB-CB 4.36Å; M69-M72 HydrophobicContact CB-CG 4.23Å; M69-M72 HydrophobicContact CE-CG 3.93Å; M69-M72 HydrophobicContact CE-SD 3.33Å; M69-M72 WeakPolarHBondContact CE-SD 3.36Å; M69-M72 WeakPolarHBondContact O-CB 3.41Å; M69-M72 PolarHBondContact O-N 2.85Å; M69-A73 PolarHBondContact O-N 3.44Å
70E89.3Confident90.4Very high82 Ų8260.9 Ų60.938%0.38329%0.287SS..Hα-helixtrans-54.4-47.2-179-180176.1-175.100113.3F11 P12 M72 A73 T74 F107F11-E70 HydrophobicContact CD1-CB 4.17Å; F11-E70 HydrophobicContact CE1-CB 3.68Å; F11-E70 HydrophobicContact CE1-CG 3.76Å; F11-E70 HydrophobicContact CZ-CB 4.1Å; F11-E70 HydrophobicContact CZ-CG 4.35Å; P12-E70 PolarHBondContact O-N 2.92Å; E70-M72 VanDerWaalsContact C-N 3.29Å; E70-M72 PolarHBondContact O-N 3.42Å; E70-A73 WeakPolarHBondContact O-CB 3.3Å; E70-A73 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-N 2.92Å; E70-T74 PolarHBondContact O-OG1 3.4Å; E70-F107 HydrophobicContact CG-CD2 4.02Å; E70-F107 HydrophobicContact CG-CE2 3.69Å
71H90Very high89.7Confident78 Ų7862 Ų6236%0.36129%0.294SS..Hα-helixtrans-67.4-31.1179.976.1-91.3000112.4M69 R75M69-H71 PolarHBondContact O-N 2.82Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; H71-R75 VanDerWaalsContact O-CG 3.32Å; H71-R75 WeakPolarHBondContact O-CG 3.34Å; H71-R75 PolarHBondContact O-N 3.24Å; H71-R75 VanDerWaalsContact O-N 3.11Å
72M90.6Very high89.3Confident75 Ų7566.4 Ų66.437%0.36931%0.31SS..Hα-helixtrans-70-45.5174.1-72.5-172.770.700110.3L68 M69 E70 T74 R75 M76L68-M72 HydrophobicContact CD1-CB 3.95Å; M69-M72 HydrophobicContact CB-CB 4.36Å; M69-M72 HydrophobicContact CB-CG 4.23Å; M69-M72 HydrophobicContact CE-CG 3.93Å; M69-M72 HydrophobicContact CE-SD 3.33Å; M69-M72 WeakPolarHBondContact CE-SD 3.36Å; M69-M72 WeakPolarHBondContact O-CB 3.41Å; M69-M72 PolarHBondContact O-N 2.85Å; E70-M72 VanDerWaalsContact C-N 3.29Å; E70-M72 PolarHBondContact O-N 3.42Å; M72-T74 VanDerWaalsContact C-N 3.3Å; M72-T74 PolarHBondContact O-N 2.81Å; M72-R75 PolarHBondContact O-N 2.9Å; M72-M76 WeakPolarHBondContact O-CB 3.45Å; M72-M76 WeakPolarHBondContact O-CG 3.42Å; M72-M76 PolarHBondContact O-N 2.8Å
73A92.3Very high89Confident0 Ų064.1 Ų64.10%030%0.302CS..Hα-helixtrans-56.2-46.9175.100000111.1F11 L68 M69 E70 R75 M76 L77 L103 F107F11-A73 HydrophobicContact CE2-CB 3.95Å; F11-A73 HydrophobicContact CZ-CB 3.69Å; L68-A73 HydrophobicContact CD1-CB 4.47Å; L68-A73 HydrophobicContact CD2-CB 3.67Å; L68-A73 HydrophobicContact CG-CB 3.9Å; M69-A73 PolarHBondContact O-N 3.44Å; E70-A73 WeakPolarHBondContact O-CB 3.3Å; E70-A73 PolarHBondContact O-N 3.27Å; A73-R75 PolarHBondContact O-N 3.2Å; A73-M76 PolarHBondContact O-N 3.18Å; A73-L77 WeakPolarHBondContact O-CB 3.5Å; A73-L77 VanDerWaalsContact O-CG 3.26Å; A73-L77 WeakPolarHBondContact O-CG 3.28Å; A73-L77 PolarHBondContact O-N 2.83Å; A73-L103 HydrophobicContact CB-CD1 4.02Å; A73-F107 HydrophobicContact CB-CE1 3.6Å; A73-F107 HydrophobicContact CB-CZ 3.72Å
74T90.2Very high88.3Confident54 Ų5465.5 Ų65.533%0.33131%0.307SS..Hα-helixtrans-57.7-48178.1-55.50000111.3E70 M72 A78 F107 F111E70-T74 PolarHBondContact O-N 2.92Å; E70-T74 PolarHBondContact O-OG1 3.4Å; M72-T74 VanDerWaalsContact C-N 3.3Å; M72-T74 PolarHBondContact O-N 2.81Å; T74-A78 VanDerWaalsContact O-CB 3.26Å; T74-A78 WeakPolarHBondContact O-CB 3.26Å; T74-A78 PolarHBondContact O-N 3.28Å; T74-F107 WeakPolarHBondContact OG1-CE2 3.02Å; T74-F107 WeakPolarHBondContact OG1-CZ 3.5Å; T74-F111 HydrophobicContact CG2-CD2 4.32Å; T74-F111 HydrophobicContact CG2-CE2 4.38Å
75R91.3Very high87.2Confident168 Ų16858.4 Ų58.463%0.63428%0.284SS*.Hα-helixtrans-65.3-41.4178.2-73176.267.4-169.90.5112.5H71 M72 A73 N79H71-R75 VanDerWaalsContact O-CG 3.32Å; H71-R75 WeakPolarHBondContact O-CG 3.34Å; H71-R75 PolarHBondContact O-N 3.24Å; H71-R75 VanDerWaalsContact O-N 3.11Å; M72-R75 PolarHBondContact O-N 2.9Å; A73-R75 PolarHBondContact O-N 3.2Å; R75-N79 WeakPolarHBondContact O-CB 3.44Å; R75-N79 PolarHBondContact O-N 3.35Å; R75-N79 PolarHBondContact O-ND2 3.26Å; R75-N79 PolarHBondContact O-OD1 3.42Å
76M92.3Very high85.8Confident40 Ų4057.9 Ų57.920%0.19728%0.284CS..Hα-helixtrans-62.8-47.2178.2-72174.882.800111L68 M72 A73 N79 E80 Y92 L96 Y100L68-M76 HydrophobicContact CD1-SD 3.86Å; M72-M76 WeakPolarHBondContact O-CB 3.45Å; M72-M76 WeakPolarHBondContact O-CG 3.42Å; M72-M76 PolarHBondContact O-N 2.8Å; A73-M76 PolarHBondContact O-N 3.18Å; M76-N79 PolarHBondContact O-N 2.92Å; M76-E80 WeakPolarHBondContact O-CB 3.42Å; M76-E80 PolarHBondContact O-N 2.82Å; M76-Y92 HydrophobicContact CB-CE1 4.25Å; M76-L96 HydrophobicContact CE-CD2 3.46Å; M76-L96 VanDerWaalsContact CE-CD2 3.46Å; M76-L96 HydrophobicContact SD-CD2 4.31Å; M76-Y100 HydrophobicContact CE-CE2 4.25Å
77L88.2Confident84Confident0 Ų066.5 Ų66.50%032%0.32CS..Hα-helixtrans-65.5-43.5177.1-64.6173.5000111.8A73 N79 E80 V81 L89 Y92 V93 L96 F107 F111A73-L77 WeakPolarHBondContact O-CB 3.5Å; A73-L77 VanDerWaalsContact O-CG 3.26Å; A73-L77 WeakPolarHBondContact O-CG 3.28Å; A73-L77 PolarHBondContact O-N 2.83Å; L77-N79 PolarHBondContact O-N 3.44Å; L77-E80 WeakPolarHBondContact O-CB 3.35Å; L77-E80 PolarHBondContact O-N 2.89Å; L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3Å; L77-L89 HydrophobicContact CB-CD1 4.45Å; L77-L89 HydrophobicContact CD2-CD1 3.73Å; L77-Y92 HydrophobicContact CD2-CD1 3.95Å; L77-Y92 HydrophobicContact CD2-CE1 4.27Å; L77-V93 HydrophobicContact CD2-CG2 3.62Å; L77-L96 HydrophobicContact CD2-CD1 3.89Å; L77-L96 HydrophobicContact CG-CD1 4.41Å; L77-F107 HydrophobicContact CD1-CE1 3.7Å; L77-F107 HydrophobicContact CD1-CZ 4.37Å; L77-F111 HydrophobicContact CB-CD1 3.95Å; L77-F111 HydrophobicContact CB-CD2 4.19Å; L77-F111 HydrophobicContact CB-CE1 3.48Å; L77-F111 VanDerWaalsContact CB-CE1 3.48Å; L77-F111 HydrophobicContact CB-CE2 3.72Å; L77-F111 HydrophobicContact CB-CG 4.31Å; L77-F111 HydrophobicContact CB-CZ 3.36Å; L77-F111 HydrophobicContact CD1-CB 4.36Å; L77-F111 HydrophobicContact CD1-CD1 3.82Å; L77-F111 HydrophobicContact CD1-CD2 4.24Å; L77-F111 HydrophobicContact CD1-CE1 4.24Å; L77-F111 HydrophobicContact CD1-CG 3.84Å; L77-F111 HydrophobicContact CG-CD1 4.47Å; L77-F111 HydrophobicContact CG-CE1 4.41Å
78A86.7Confident82.7Confident42 Ų4268.5 Ų68.535%0.34734%0.335SS..Hα-helixtrans-61.1-43.7177.100000112.1T74 E80 V81 E82 F111T74-A78 VanDerWaalsContact O-CB 3.26Å; T74-A78 WeakPolarHBondContact O-CB 3.26Å; T74-A78 PolarHBondContact O-N 3.28Å; A78-E80 VanDerWaalsContact C-N 3.3Å; A78-E80 PolarHBondContact O-N 3.45Å; A78-V81 PolarHBondContact O-N 3.47Å; A78-E82 WeakPolarHBondContact O-CB 3.46Å; A78-E82 PolarHBondContact O-N 2.95Å; A78-F111 HydrophobicContact CB-CE2 4.28Å; A78-F111 HydrophobicContact CB-CZ 4.36Å
79N89.9Confident81.6Confident68 Ų6868.8 Ų68.836%0.36434%0.336SS..Hα-helixtrans-63.3-37.3175.5-69.8-19.2000111.9R75 M76 L77 E82 R83R75-N79 WeakPolarHBondContact O-CB 3.44Å; R75-N79 PolarHBondContact O-N 3.35Å; R75-N79 PolarHBondContact O-ND2 3.26Å; R75-N79 PolarHBondContact O-OD1 3.42Å; M76-N79 PolarHBondContact O-N 2.92Å; L77-N79 PolarHBondContact O-N 3.44Å; N79-E82 PolarHBondContact O-N 3.47Å; N79-R83 WeakPolarHBondContact O-CB 3.46Å; N79-R83 WeakPolarHBondContact O-CD 3.49Å; N79-R83 WeakPolarHBondContact O-CG 3.32Å; N79-R83 PolarHBondContact O-N 3.37Å
80E85.1Confident80.4Confident23 Ų2369.1 Ų69.111%0.10734%0.343CS..Hα-helixtrans-65.7-45.3177-176.363-162.500111.1M76 L77 A78 E82 R83 N84 L89 Y92M76-E80 WeakPolarHBondContact O-CB 3.42Å; M76-E80 PolarHBondContact O-N 2.82Å; L77-E80 WeakPolarHBondContact O-CB 3.35Å; L77-E80 PolarHBondContact O-N 2.89Å; A78-E80 VanDerWaalsContact C-N 3.3Å; A78-E80 PolarHBondContact O-N 3.45Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3.34Å; E80-R83 PolarHBondContact O-N 3.13Å; E80-N84 VanDerWaalsContact CD-ND2 3.27Å; E80-N84 PolarHBondContact O-N 2.95Å; E80-N84 PolarHBondContact OE1-ND2 3.02Å; E80-N84 PolarHBondContact OE2-ND2 2.89Å; E80-L89 HydrophobicContact CB-CD1 4.49Å; E80-L89 HydrophobicContact CG-CD1 4.33Å; E80-Y92 HydrophobicContact CB-CD1 3.84Å; E80-Y92 HydrophobicContact CB-CD2 4.5Å; E80-Y92 HydrophobicContact CB-CE1 3.91Å; E80-Y92 HydrophobicContact CB-CG 4.14Å; E80-Y92 HydrophobicContact CG-CD1 3.74Å; E80-Y92 HydrophobicContact CG-CD2 3.94Å; E80-Y92 HydrophobicContact CG-CE1 4.26Å; E80-Y92 HydrophobicContact CG-CE2 4.45Å; E80-Y92 HydrophobicContact CG-CG 3.55Å
81V78.4Confident79.8Confident24 Ų2470.2 Ų70.215%0.14535%0.351CS..Hα-helixtrans-61.9-41.5175.6174.20000111.3L77 A78 R83 G85 L86 L89 F111 T115L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3Å; A78-V81 PolarHBondContact O-N 3.47Å; V81-R83 VanDerWaalsContact C-N 3.31Å; V81-R83 PolarHBondContact O-N 3.4Å; V81-G85 WeakPolarHBondContact O-CA 3.31Å; V81-G85 PolarHBondContact O-N 3.18Å; V81-L86 HydrophobicContact CG1-CD2 4.23Å; V81-L86 HydrophobicContact CG2-CD2 4.09Å; V81-L89 HydrophobicContact CG2-CD1 4.01Å; V81-L89 HydrophobicContact CG2-CD2 3.77Å; V81-L89 HydrophobicContact CG2-CG 4.44Å; V81-F111 HydrophobicContact CG2-CE1 4.17Å; V81-F111 HydrophobicContact CG2-CZ 4.36Å; V81-T115 HydrophobicContact CG1-CG2 3.85Å; V81-T115 HydrophobicContact CG2-CG2 4.27Å
82E81.5Confident79.3Confident162 Ų16269 Ų6976%0.75734%0.344SS*.Hα-helixtrans-64.2-36177.5-172.1178-168.300112.3A78 N79 E80A78-E82 WeakPolarHBondContact O-CB 3.46Å; A78-E82 PolarHBondContact O-N 2.95Å; N79-E82 PolarHBondContact O-N 3.47Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3.34Å
83R82.3Confident78.7Confident193 Ų19365.7 Ų65.773%0.72833%0.328SS*.Hα-helixtrans-84.9-46.9-176.1-72.4173.2-178.8-172.30.2113.8N79 E80 V81N79-R83 WeakPolarHBondContact O-CB 3.46Å; N79-R83 WeakPolarHBondContact O-CD 3.49Å; N79-R83 WeakPolarHBondContact O-CG 3.32Å; N79-R83 PolarHBondContact O-N 3.37Å; E80-R83 PolarHBondContact O-N 3.13Å; V81-R83 VanDerWaalsContact C-N 3.31Å; V81-R83 PolarHBondContact O-N 3.4Å
84N74.8Confident78.2Confident85 Ų8571.1 Ų71.146%0.45535%0.352SS..Hα-helixtrans-117.5-2.7-168.7-63.2-45.1000112.9E80 C88E80-N84 VanDerWaalsContact CD-ND2 3.27Å; E80-N84 PolarHBondContact O-N 2.95Å; E80-N84 PolarHBondContact OE1-ND2 3.02Å; E80-N84 PolarHBondContact OE2-ND2 2.89Å; N84-C88 HydrophobicContact CB-CB 3.85Å
85G68.5Low78Confident27 Ų2772.6 Ų72.628%0.27836%0.357SS..  trans69.2-171.8-173.300000112.6V81 K87V81-G85 WeakPolarHBondContact O-CA 3.31Å; V81-G85 PolarHBondContact O-N 3.18Å; G85-K87 PolarHBondContact O-N 2.79Å
86L62.9Low77.9Confident50 Ų5064.9 Ų64.926%0.26233%0.329SS..G310 helixtrans-69.5-20.4-179.6-64.7168.2000113V81 C88 L89 T115 L116 E176V81-L86 HydrophobicContact CG1-CD2 4.23Å; V81-L86 HydrophobicContact CG2-CD2 4.09Å; L86-C88 VanDerWaalsContact C-N 3.35Å; L86-C88 PolarHBondContact O-N 3.27Å; L86-L89 HydrophobicContact CD2-CD2 3.96Å; L86-L89 VanDerWaalsContact O-CB 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L86-T115 HydrophobicContact CD2-CG2 4.07Å; L86-L116 HydrophobicContact CD1-CD2 3.83Å; L86-E176 WeakPolarHBondContact CD1-OE1 3.15Å
87K56Low77.6Confident189 Ų18966.1 Ų66.182%0.82233%0.331SS*.G310 helixtrans-60.8-37.3-174.2-64.5-171.6177.4-168.50114.1G85G85-K87 PolarHBondContact O-N 2.79Å
88C63.7Low77.7Confident52 Ų5271.4 Ų71.435%0.35136%0.356SS..G310 helixtrans-94.9-2.2-178.5-62.60000113.1N84 L86 A90 D91 Y92N84-C88 HydrophobicContact CB-CB 3.85Å; L86-C88 VanDerWaalsContact C-N 3.35Å; L86-C88 PolarHBondContact O-N 3.27Å; C88-A90 PolarHBondContact O-N 3.07Å; C88-D91 PolarHBondContact O-N 3.42Å; C88-Y92 WeakPolarHBondContact O-CB 3.48Å; C88-Y92 PolarHBondContact O-N 2.98Å
89L68.8Low77.9Confident6 Ų672.5 Ų72.53%0.03136%0.361CS..Hα-helixtrans-67.7-35.4-169.4-171.560.1000112.6L77 E80 V81 L86 Y92 V93 F111 L112L77-L89 HydrophobicContact CB-CD1 4.45Å; L77-L89 HydrophobicContact CD2-CD1 3.73Å; E80-L89 HydrophobicContact CB-CD1 4.49Å; E80-L89 HydrophobicContact CG-CD1 4.33Å; V81-L89 HydrophobicContact CG2-CD1 4.01Å; V81-L89 HydrophobicContact CG2-CD2 3.77Å; V81-L89 HydrophobicContact CG2-CG 4.44Å; L86-L89 HydrophobicContact CD2-CD2 3.96Å; L86-L89 VanDerWaalsContact O-CB 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L89-Y92 PolarHBondContact O-N 3.07Å; L89-V93 HydrophobicContact CD1-CG2 4.44Å; L89-V93 HydrophobicContact CG-CG2 4.43Å; L89-V93 WeakPolarHBondContact O-CB 3.5Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.45Å; L89-V93 PolarHBondContact O-N 3.2Å; L89-F111 HydrophobicContact CD2-CE1 4.24Å; L89-L112 HydrophobicContact CD2-CD2 3.29Å; L89-L112 HydrophobicContact CD2-CG 4.49Å; L89-L112 HydrophobicContact CG-CD2 4.39Å
90A66.4Low78Confident33 Ų3371.2 Ų71.227%0.27335%0.351SS..Hα-helixtrans-59.8-52.6176.900000112C88 Y92 V93 K94 F179C88-A90 PolarHBondContact O-N 3.07Å; A90-Y92 VanDerWaalsContact C-N 3.28Å; A90-Y92 PolarHBondContact O-N 3.32Å; A90-V93 PolarHBondContact O-N 3.44Å; A90-K94 PolarHBondContact O-N 3.42Å; A90-F179 HydrophobicContact CB-CD2 3.52Å; A90-F179 HydrophobicContact CB-CE2 3.29Å; A90-F179 HydrophobicContact CB-CG 4.36Å; A90-F179 HydrophobicContact CB-CZ 3.97Å
91D75.4Confident78Confident106 Ų10672 Ų7257%0.56736%0.355SS*.Hα-helixtrans-62.2-38.8176.6-74-27.4000111.1C88 K94 N95C88-D91 PolarHBondContact O-N 3.42Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.19Å; D91-N95 WeakPolarHBondContact O-CB 3.32Å; D91-N95 PolarHBondContact O-N 2.99Å; D91-N95 PolarHBondContact O-ND2 3.33Å
92Y79.3Confident78.2Confident53 Ų5372.2 Ų72.221%0.20836%0.357CS..Hα-helixtrans-64.8-46177.3-169.3-103.1000112.4M76 L77 E80 C88 L89 A90 K94 N95 L96M76-Y92 HydrophobicContact CB-CE1 4.25Å; L77-Y92 HydrophobicContact CD2-CD1 3.95Å; L77-Y92 HydrophobicContact CD2-CE1 4.27Å; E80-Y92 HydrophobicContact CB-CD1 3.84Å; E80-Y92 HydrophobicContact CB-CD2 4.5Å; E80-Y92 HydrophobicContact CB-CE1 3.91Å; E80-Y92 HydrophobicContact CB-CG 4.14Å; E80-Y92 HydrophobicContact CG-CD1 3.74Å; E80-Y92 HydrophobicContact CG-CD2 3.94Å; E80-Y92 HydrophobicContact CG-CE1 4.26Å; E80-Y92 HydrophobicContact CG-CE2 4.45Å; E80-Y92 HydrophobicContact CG-CG 3.55Å; C88-Y92 WeakPolarHBondContact O-CB 3.48Å; C88-Y92 PolarHBondContact O-N 2.98Å; L89-Y92 PolarHBondContact O-N 3.07Å; A90-Y92 VanDerWaalsContact C-N 3.28Å; A90-Y92 PolarHBondContact O-N 3.32Å; Y92-K94 VanDerWaalsContact C-N 3.28Å; Y92-K94 PolarHBondContact O-N 3.08Å; Y92-N95 WeakPolarHBondContact O-CB 3.42Å; Y92-N95 PolarHBondContact O-N 3.38Å; Y92-L96 HydrophobicContact CD1-CD1 3.91Å; Y92-L96 HydrophobicContact CD1-CG 4.17Å; Y92-L96 HydrophobicContact CE1-CD1 3.63Å; Y92-L96 HydrophobicContact CE1-CD2 4.23Å; Y92-L96 HydrophobicContact CE1-CG 3.96Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 2.91Å
93V79Confident78.3Confident4 Ų464.9 Ų64.92%0.02432%0.323CS..Hα-helixtrans-59.1-41174.5166.70000111L77 L89 A90 L96 R97 L103 V108L77-V93 HydrophobicContact CD2-CG2 3.62Å; L89-V93 HydrophobicContact CD1-CG2 4.44Å; L89-V93 HydrophobicContact CG-CG2 4.43Å; L89-V93 WeakPolarHBondContact O-CB 3.5Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.45Å; L89-V93 PolarHBondContact O-N 3.2Å; A90-V93 PolarHBondContact O-N 3.44Å; V93-L96 PolarHBondContact O-N 3.5Å; V93-R97 WeakPolarHBondContact O-CG 3.29Å; V93-R97 PolarHBondContact O-N 3.28Å; V93-L103 HydrophobicContact CG1-CD2 4Å; V93-V108 HydrophobicContact CG1-CG1 4.11Å; V93-V108 HydrophobicContact CG1-CG2 3.98Å; V93-V108 HydrophobicContact CG2-CG1 3.98Å
94K81.5Confident78.1Confident115 Ų11557.4 Ų57.450%0.530%0.3SS..Hα-helixtrans-61.4-49.3174.8-177.9-178.7175.2-176.80111.2A90 D91 Y92 L96 R97 E98A90-K94 PolarHBondContact O-N 3.42Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.19Å; Y92-K94 VanDerWaalsContact C-N 3.28Å; Y92-K94 PolarHBondContact O-N 3.08Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.37Å; K94-R97 PolarHBondContact O-N 3.36Å; K94-R97 VanDerWaalsContact O-N 3.09Å; K94-E98 WeakPolarHBondContact CE-OE1 3.48Å; K94-E98 WeakPolarHBondContact O-CG 3.26Å; K94-E98 PolarHBondContact O-N 3.48Å
95N86.4Confident77.9Confident84 Ų8456.6 Ų56.645%0.44929%0.292SS..Hα-helixtrans-58.5-38176.6-68.7-24.2000112.1D91 Y92 E98 S99D91-N95 WeakPolarHBondContact O-CB 3.32Å; D91-N95 PolarHBondContact O-N 2.99Å; D91-N95 PolarHBondContact O-ND2 3.33Å; Y92-N95 WeakPolarHBondContact O-CB 3.42Å; Y92-N95 PolarHBondContact O-N 3.38Å; N95-E98 PolarHBondContact O-N 3.09Å; N95-S99 WeakPolarHBondContact O-CB 3.4Å; N95-S99 PolarHBondContact O-N 3.32Å; N95-S99 PolarHBondContact O-OG 3.43Å
96L89.3Confident78.1Confident7 Ų760 Ų604%0.03731%0.31CS..Hα-helixtrans-64.8-46173.2-69.3-178.9000112.2M76 L77 Y92 V93 K94 E98 S99 Y100 L103M76-L96 HydrophobicContact CE-CD2 3.46Å; M76-L96 VanDerWaalsContact CE-CD2 3.46Å; M76-L96 HydrophobicContact SD-CD2 4.31Å; L77-L96 HydrophobicContact CD2-CD1 3.89Å; L77-L96 HydrophobicContact CG-CD1 4.41Å; Y92-L96 HydrophobicContact CD1-CD1 3.91Å; Y92-L96 HydrophobicContact CD1-CG 4.17Å; Y92-L96 HydrophobicContact CE1-CD1 3.63Å; Y92-L96 HydrophobicContact CE1-CD2 4.23Å; Y92-L96 HydrophobicContact CE1-CG 3.96Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 2.91Å; V93-L96 PolarHBondContact O-N 3.5Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.37Å; L96-E98 PolarHBondContact O-N 2.9Å; L96-S99 PolarHBondContact O-N 3.01Å; L96-S99 VanDerWaalsContact O-N 3.12Å; L96-Y100 HydrophobicContact CB-CD2 4.49Å; L96-Y100 HydrophobicContact CD2-CD2 4.02Å; L96-Y100 HydrophobicContact CD2-CE2 3.78Å; L96-Y100 WeakPolarHBondContact O-CB 3.28Å; L96-Y100 WeakPolarHBondContact O-CD2 3Å; L96-Y100 PolarHBondContact O-N 2.89Å; L96-L103 HydrophobicContact CB-CD2 3.85Å; L96-L103 HydrophobicContact CD1-CD2 4.04Å
97R85.8Confident78.7Confident66 Ų6658.7 Ų58.725%0.24930%0.302CS..Hα-helixtrans-62.4-31.3175.9-73.5176.1-179.3164.39.5112.3K65 V93 K94 L103 E183K65-R97 PolarHBondContact NZ-O 2.94Å; V93-R97 WeakPolarHBondContact O-CG 3.29Å; V93-R97 PolarHBondContact O-N 3.28Å; K94-R97 PolarHBondContact O-N 3.36Å; K94-R97 VanDerWaalsContact O-N 3.09Å; R97-L103 HydrophobicContact CG-CB 3.9Å; R97-L103 HydrophobicContact CG-CD2 4.3Å; R97-E183 IonicContact CZ-OE1 3.48Å; R97-E183 IonicContact NH1-OE1 3.97Å; R97-E183 PolarHBondContact NH1-OE1 3.07Å; R97-E183 IonicContact NH2-OE1 2.77Å; R97-E183 PolarHBondContact NH2-OE1 2.96Å
98E89.7Confident79.5Confident110 Ų11050 Ų5051%0.51426%0.264SS..Hα-helixtrans-73.3-35.5174.8-72.5179.5-171.200111.9K65 K94 N95 L96K65-E98 WeakPolarHBondContact CE-O 3.48Å; K65-E98 PolarHBondContact NZ-O 3.32Å; K94-E98 WeakPolarHBondContact CE-OE1 3.48Å; K94-E98 WeakPolarHBondContact O-CG 3.26Å; K94-E98 PolarHBondContact O-N 3.48Å; N95-E98 PolarHBondContact O-N 3.09Å; L96-E98 PolarHBondContact O-N 2.9Å
99S91.4Very high79.6Confident66 Ų6650.3 Ų50.346%0.46227%0.271SS..Hα-helixtrans-86.6-31.3-176.8-55.40000114.2P66 N95 L96P66-S99 WeakPolarHBondContact CD-O 3.32Å; N95-S99 WeakPolarHBondContact O-CB 3.4Å; N95-S99 PolarHBondContact O-N 3.32Å; N95-S99 PolarHBondContact O-OG 3.43Å; L96-S99 PolarHBondContact O-N 3.01Å; L96-S99 VanDerWaalsContact O-N 3.12Å
100Y92.1Very high79.6Confident40 Ų4053.2 Ų53.216%0.15729%0.291CS..SBendtrans-115157.1-172.1-66.3-87.4000113K65 P66 L68 M76 L96 C102K65-Y100 WeakPolarHBondContact CD-O 3.46Å; P66-Y100 HydrophobicContact CB-CD1 4.07Å; P66-Y100 HydrophobicContact CB-CE1 4.18Å; P66-Y100 HydrophobicContact CG-CD1 3.59Å; P66-Y100 HydrophobicContact CG-CE1 3.76Å; P66-Y100 HydrophobicContact CG-CG 4.39Å; L68-Y100 HydrophobicContact CB-CD1 3.61Å; L68-Y100 HydrophobicContact CB-CE1 4.33Å; L68-Y100 HydrophobicContact CB-CG 3.76Å; L68-Y100 HydrophobicContact CD1-CD1 4.12Å; L68-Y100 HydrophobicContact CD1-CE1 4Å; L68-Y100 HydrophobicContact CD1-CE2 4.5Å; L68-Y100 HydrophobicContact CD1-CG 4.42Å; L68-Y100 HydrophobicContact CD2-CD2 4.22Å; L68-Y100 HydrophobicContact CD2-CG 4.17Å; L68-Y100 HydrophobicContact CG-CD1 4.32Å; L68-Y100 HydrophobicContact CG-CG 4.34Å; M76-Y100 HydrophobicContact CE-CE2 4.25Å; L96-Y100 HydrophobicContact CB-CD2 4.49Å; L96-Y100 HydrophobicContact CD2-CD2 4.02Å; L96-Y100 HydrophobicContact CD2-CE2 3.78Å; L96-Y100 WeakPolarHBondContact O-CB 3.28Å; L96-Y100 WeakPolarHBondContact O-CD2 3Å; L96-Y100 PolarHBondContact O-N 2.89Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 2.9Å
101H85.9Confident80Confident40 Ų4052.5 Ų52.519%0.18528%0.282CS..SBendtrans-61.2-39.5-175.9176.557.2000113.2A60 T63 K65 P66 L67A60-H101 HydrophobicContact CB-CB 3.92Å; A60-H101 WeakPolarHBondContact CB-CE1 3.47Å; A60-H101 WeakPolarHBondContact CB-ND1 3.47Å; T63-H101 VanDerWaalsContact CG2-ND1 3.28Å; T63-H101 WeakPolarHBondContact CG2-ND1 3.17Å; T63-H101 PolarHBondContact OG1-ND1 3.27Å; K65-H101 HydrophobicContact CB-CB 4.19Å; P66-H101 PolarHBondContact O-N 3.32Å; L67-H101 HydrophobicContact CD2-CB 3.85Å; L67-H101 VanDerWaalsContact CD2-CD2 3.49Å; L67-H101 WeakPolarHBondContact CD2-CD2 3.37Å
102C81.3Confident79.5Confident29 Ų2949 Ų4920%0.19626%0.263CS..  trans-152137.5-179.5-163.80000110.4E10 F11 Y100E10-C102 HydrophobicContact CB-CB 4.2Å; E10-C102 WeakPolarHBondContact O-CB 3Å; F11-C102 WeakPolarHBondContact CD2-O 3.23Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 2.9Å
103L83.2Confident78.6Confident8 Ų848.9 Ų48.94%0.04227%0.273CS..  trans-136.995162.717861.9000106.4F11 L68 A73 V93 L96 R97 K105 F107 V108F11-L103 HydrophobicContact CE2-CD1 3.89Å; F11-L103 HydrophobicContact CZ-CD1 3.94Å; L68-L103 HydrophobicContact CD2-CD1 4.25Å; A73-L103 HydrophobicContact CB-CD1 4.02Å; V93-L103 HydrophobicContact CG1-CD2 4Å; L96-L103 HydrophobicContact CB-CD2 3.85Å; L96-L103 HydrophobicContact CD1-CD2 4.04Å; R97-L103 HydrophobicContact CG-CB 3.9Å; R97-L103 HydrophobicContact CG-CD2 4.3Å; L103-K105 PolarHBondContact O-N 2.72Å; L103-F107 HydrophobicContact CD1-CD1 3.51Å; L103-F107 HydrophobicContact CD1-CE1 3.72Å; L103-V108 HydrophobicContact CD1-CG2 4.21Å; L103-V108 HydrophobicContact CD2-CG2 3.9Å; L103-V108 HydrophobicContact CG-CG2 3.74Å
104P78Confident77.9Confident36 Ų3653.1 Ų53.123%0.23430%0.296CS..  trans-58134.8-170.6-26.134000112F11 P106 F107 V108F11-P104 HydrophobicContact CB-CG 3.53Å; F11-P104 HydrophobicContact CD1-CG 3.61Å; F11-P104 VanDerWaalsContact CD2-CD 3.46Å; F11-P104 HydrophobicContact CD2-CG 4.23Å; F11-P104 HydrophobicContact CE1-CG 4.28Å; F11-P104 HydrophobicContact CG-CG 3.54Å; P104-P106 VanDerWaalsContact C-CD 3.46Å; P104-P106 VanDerWaalsContact C-N 3.33Å; P104-F107 HydrophobicContact CB-CB 4.15Å; P104-F107 WeakPolarHBondContact O-CB 3.4Å; P104-F107 PolarHBondContact O-N 2.91Å; P104-F107 VanDerWaalsContact O-N 3.13Å; P104-V108 PolarHBondContact O-N 2.95Å
105K71.5Confident77Confident67 Ų6748.5 Ų48.529%0.29128%0.277SS..Hα-helixtrans-54.1-43.5174.1-66.7-171.2168.3-1280112.8L103 F107 V108 A109 E183L103-K105 PolarHBondContact O-N 2.72Å; K105-F107 VanDerWaalsContact C-N 3.3Å; K105-F107 PolarHBondContact O-N 3.39Å; K105-V108 PolarHBondContact O-N 3.34Å; K105-A109 PolarHBondContact O-N 2.96Å; K105-E183 IonicContact NZ-OE1 2.83Å; K105-E183 IonicContact NZ-OE2 2.79Å; K105-E183 PolarHBondContact NZ-OE2 3.12Å
106P71.8Confident75.4Confident100 Ų10046.1 Ų46.165%0.64927%0.265SS*.Hα-helixtrans-60.6-37.3177.4-24.435.6000113.4P104 A109 S110P104-P106 VanDerWaalsContact C-CD 3.46Å; P104-P106 VanDerWaalsContact C-N 3.33Å; P106-A109 PolarHBondContact O-N 2.94Å; P106-S110 PolarHBondContact O-N 3.32Å
107F77.2Confident73.6Confident22 Ų2248.9 Ų48.910%0.09628%0.284CS..Hα-helixtrans-62.9-47.6176.6168.7-93.8000111.3F11 E70 A73 T74 L77 L103 P104 K105 A109 S110 F111F11-F107 HydrophobicContact CE1-CB 3.97Å; F11-F107 HydrophobicContact CE1-CD1 4Å; F11-F107 AromaticContact CE1-CD2 3.59Å; F11-F107 HydrophobicContact CE1-CD2 3.59Å; F11-F107 HydrophobicContact CE1-CE1 4.45Å; F11-F107 HydrophobicContact CE1-CE2 4.07Å; F11-F107 AromaticContact CE1-CG 3.55Å; F11-F107 HydrophobicContact CE1-CG 3.55Å; F11-F107 HydrophobicContact CE1-CZ 4.48Å; F11-F107 HydrophobicContact CZ-CB 4.49Å; F11-F107 AromaticContact CZ-CD1 3.73Å; F11-F107 HydrophobicContact CZ-CD1 3.73Å; F11-F107 HydrophobicContact CZ-CD2 4.01Å; F11-F107 AromaticContact CZ-CE1 3.9Å; F11-F107 HydrophobicContact CZ-CE1 3.9Å; F11-F107 HydrophobicContact CZ-CE2 4.17Å; F11-F107 AromaticContact CZ-CG 3.79Å; F11-F107 HydrophobicContact CZ-CG 3.79Å; F11-F107 HydrophobicContact CZ-CZ 4.12Å; E70-F107 HydrophobicContact CG-CD2 4.02Å; E70-F107 HydrophobicContact CG-CE2 3.69Å; A73-F107 HydrophobicContact CB-CE1 3.6Å; A73-F107 HydrophobicContact CB-CZ 3.72Å; T74-F107 WeakPolarHBondContact OG1-CE2 3.02Å; T74-F107 WeakPolarHBondContact OG1-CZ 3.5Å; L77-F107 HydrophobicContact CD1-CE1 3.7Å; L77-F107 HydrophobicContact CD1-CZ 4.37Å; L103-F107 HydrophobicContact CD1-CD1 3.51Å; L103-F107 HydrophobicContact CD1-CE1 3.72Å; P104-F107 HydrophobicContact CB-CB 4.15Å; P104-F107 WeakPolarHBondContact O-CB 3.4Å; P104-F107 PolarHBondContact O-N 2.91Å; P104-F107 VanDerWaalsContact O-N 3.13Å; K105-F107 VanDerWaalsContact C-N 3.3Å; K105-F107 PolarHBondContact O-N 3.39Å; F107-A109 VanDerWaalsContact C-N 3.32Å; F107-A109 PolarHBondContact O-N 3.09Å; F107-S110 PolarHBondContact O-N 2.74Å; F107-F111 WeakPolarHBondContact O-CB 3.11Å; F107-F111 PolarHBondContact O-N 3.31Å
108V72.2Confident72.2Confident6 Ų649.6 Ų49.64%0.03629%0.293CS..Hα-helixtrans-61.2-43.1177.8179.20000111V93 L103 P104 K105 S110 F111 L112V93-V108 HydrophobicContact CG1-CG1 4.11Å; V93-V108 HydrophobicContact CG1-CG2 3.98Å; V93-V108 HydrophobicContact CG2-CG1 3.98Å; L103-V108 HydrophobicContact CD1-CG2 4.21Å; L103-V108 HydrophobicContact CD2-CG2 3.9Å; L103-V108 HydrophobicContact CG-CG2 3.74Å; P104-V108 PolarHBondContact O-N 2.95Å; K105-V108 PolarHBondContact O-N 3.34Å; V108-S110 PolarHBondContact O-N 3.13Å; V108-F111 PolarHBondContact O-N 3.34Å; V108-L112 HydrophobicContact CG1-CD1 4.01Å; V108-L112 HydrophobicContact CG1-CG 4.43Å; V108-L112 WeakPolarHBondContact O-CB 3.43Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 2.93Å
109A65.6Low70.3Confident59 Ų5946.5 Ų46.549%0.48828%0.283SS..Hα-helixtrans-61.8-43.5177.800000112.2K105 P106 F107 L112 A113K105-A109 PolarHBondContact O-N 2.96Å; P106-A109 PolarHBondContact O-N 2.94Å; F107-A109 VanDerWaalsContact C-N 3.32Å; F107-A109 PolarHBondContact O-N 3.09Å; A109-L112 PolarHBondContact O-N 3.17Å; A109-A113 PolarHBondContact O-N 2.88Å; A109-A113 VanDerWaalsContact O-N 3.07Å
110S69.2Low67.9Low66 Ų6650.8 Ų50.846%0.46229%0.29SS..Hα-helixtrans-62.9-47.9175.8-165.60000111.5P106 F107 V108 L112 A113 D114P106-S110 PolarHBondContact O-N 3.32Å; F107-S110 PolarHBondContact O-N 2.74Å; V108-S110 PolarHBondContact O-N 3.13Å; S110-L112 VanDerWaalsContact C-N 3.29Å; S110-L112 PolarHBondContact O-N 3.2Å; S110-A113 PolarHBondContact O-N 2.79Å; S110-D114 PolarHBondContact O-N 3.44Å
111F75.4Confident65.5Low19 Ų1956.6 Ų56.68%0.08332%0.319CS..Hα-helixtrans-57.4-42.5178.4174.2-88.7000112T74 L77 A78 V81 L89 F107 V108 T115T74-F111 HydrophobicContact CG2-CD2 4.32Å; T74-F111 HydrophobicContact CG2-CE2 4.38Å; L77-F111 HydrophobicContact CB-CD1 3.95Å; L77-F111 HydrophobicContact CB-CD2 4.19Å; L77-F111 HydrophobicContact CB-CE1 3.48Å; L77-F111 VanDerWaalsContact CB-CE1 3.48Å; L77-F111 HydrophobicContact CB-CE2 3.72Å; L77-F111 HydrophobicContact CB-CG 4.31Å; L77-F111 HydrophobicContact CB-CZ 3.36Å; L77-F111 HydrophobicContact CD1-CB 4.36Å; L77-F111 HydrophobicContact CD1-CD1 3.82Å; L77-F111 HydrophobicContact CD1-CD2 4.24Å; L77-F111 HydrophobicContact CD1-CE1 4.24Å; L77-F111 HydrophobicContact CD1-CG 3.84Å; L77-F111 HydrophobicContact CG-CD1 4.47Å; L77-F111 HydrophobicContact CG-CE1 4.41Å; A78-F111 HydrophobicContact CB-CE2 4.28Å; A78-F111 HydrophobicContact CB-CZ 4.36Å; V81-F111 HydrophobicContact CG2-CE1 4.17Å; V81-F111 HydrophobicContact CG2-CZ 4.36Å; L89-F111 HydrophobicContact CD2-CE1 4.24Å; F107-F111 WeakPolarHBondContact O-CB 3.11Å; F107-F111 PolarHBondContact O-N 3.31Å; V108-F111 PolarHBondContact O-N 3.34Å; F111-T115 WeakPolarHBondContact CE1-OG1 3.2Å; F111-T115 WeakPolarHBondContact CZ-OG1 3.46Å; F111-T115 VanDerWaalsContact O-CB 3.26Å; F111-T115 WeakPolarHBondContact O-CB 3.35Å; F111-T115 PolarHBondContact O-N 3.04Å; F111-T115 PolarHBondContact O-OG1 2.93Å
112L64.2Low63.4Low32 Ų3262.4 Ų62.417%0.16834%0.344CS..Hα-helixtrans-63.8-46.9177.3-74.6170000111.8L89 V108 A109 S110 D114 T115 L116 F179L89-L112 HydrophobicContact CD2-CD2 3.29Å; L89-L112 HydrophobicContact CD2-CG 4.49Å; L89-L112 HydrophobicContact CG-CD2 4.39Å; V108-L112 HydrophobicContact CG1-CD1 4.01Å; V108-L112 HydrophobicContact CG1-CG 4.43Å; V108-L112 WeakPolarHBondContact O-CB 3.43Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 2.93Å; A109-L112 PolarHBondContact O-N 3.17Å; S110-L112 VanDerWaalsContact C-N 3.29Å; S110-L112 PolarHBondContact O-N 3.2Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 3.23Å; L112-T115 PolarHBondContact O-N 3.45Å; L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.3Å; L112-F179 HydrophobicContact CD1-CE1 4.04Å
113A60.1Low61.1Low51 Ų5166.4 Ų66.442%0.42136%0.361SS..Hα-helixtrans-59.8-43.2178.700000111.9A109 S110 S117A109-A113 PolarHBondContact O-N 2.88Å; A109-A113 VanDerWaalsContact O-N 3.07Å; S110-A113 PolarHBondContact O-N 2.79Å; A113-S117 WeakPolarHBondContact O-CB 3.25Å; A113-S117 PolarHBondContact O-N 2.83Å; A113-S117 PolarHBondContact O-OG 2.83Å
114D64Low58.7Low92 Ų9271.4 Ų71.449%0.49239%0.393SS..Hα-helixtrans-67.7-42.6177.2-67.6-26000111.4S110 L112 S117 N118S110-D114 PolarHBondContact O-N 3.44Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 3.23Å; D114-S117 PolarHBondContact O-N 3.28Å; D114-N118 WeakPolarHBondContact O-CB 3.23Å; D114-N118 VanDerWaalsContact O-CG 3.32Å; D114-N118 PolarHBondContact O-N 2.91Å; D114-N118 PolarHBondContact O-ND2 3.45Å
115T62.2Low56.5Low18 Ų1874.9 Ų74.911%0.1142%0.419CS..Hα-helixtrans-63.1-46.3179.4-61.20000111V81 L86 F111 L112 N118 C119V81-T115 HydrophobicContact CG1-CG2 3.85Å; V81-T115 HydrophobicContact CG2-CG2 4.27Å; L86-T115 HydrophobicContact CD2-CG2 4.07Å; F111-T115 WeakPolarHBondContact CE1-OG1 3.2Å; F111-T115 WeakPolarHBondContact CZ-OG1 3.46Å; F111-T115 VanDerWaalsContact O-CB 3.26Å; F111-T115 WeakPolarHBondContact O-CB 3.35Å; F111-T115 PolarHBondContact O-N 3.04Å; F111-T115 PolarHBondContact O-OG1 2.93Å; L112-T115 PolarHBondContact O-N 3.45Å; T115-N118 PolarHBondContact O-N 3.17Å; T115-C119 WeakPolarHBondContact O-CB 3.12Å; T115-C119 PolarHBondContact O-N 3.17Å; T115-C119 PolarHBondContact O-SG 3.48Å
116L52.7Low54.5Low35 Ų3574.9 Ų74.918%0.18343%0.425CS..Hα-helixtrans-60.4-48.8177-81.5168.9000111.5L86 L112 N118 C119 Y120 E176L86-L116 HydrophobicContact CD1-CD2 3.83Å; L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.3Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 2.88Å; L116-C119 WeakPolarHBondContact O-CB 3.37Å; L116-C119 PolarHBondContact O-N 3.4Å; L116-C119 VanDerWaalsContact O-N 3.09Å; L116-Y120 HydrophobicContact CB-CD2 4.43Å; L116-Y120 HydrophobicContact CB-CE2 4.18Å; L116-Y120 HydrophobicContact CD2-CE2 3.95Å; L116-Y120 WeakPolarHBondContact O-CD2 3.5Å; L116-Y120 PolarHBondContact O-N 2.78Å; L116-E176 WeakPolarHBondContact CD2-OE1 3.29Å
117S53.1Low53Low65 Ų6576.1 Ų76.146%0.45543%0.434SS..Hα-helixtrans-55.4-46.1177.8-58.50000111.4A113 D114 C119 Y120 E121A113-S117 WeakPolarHBondContact O-CB 3.25Å; A113-S117 PolarHBondContact O-N 2.83Å; A113-S117 PolarHBondContact O-OG 2.83Å; D114-S117 PolarHBondContact O-N 3.28Å; S117-C119 PolarHBondContact O-N 3.35Å; S117-Y120 PolarHBondContact O-N 3.48Å; S117-E121 WeakPolarHBondContact O-CG 3.39Å; S117-E121 PolarHBondContact O-N 3.33Å; S117-E121 VanDerWaalsContact O-N 3.08Å
118N55.5Low51Low81 Ų8181.8 Ų81.843%0.43347%0.465SS..Hα-helixtrans-66.5-34.9177.2-75.5-54.8000113.6D114 T115 L116 K122D114-N118 WeakPolarHBondContact O-CB 3.23Å; D114-N118 VanDerWaalsContact O-CG 3.32Å; D114-N118 PolarHBondContact O-N 2.91Å; D114-N118 PolarHBondContact O-ND2 3.45Å; T115-N118 PolarHBondContact O-N 3.17Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 2.88Å; N118-K122 WeakPolarHBondContact O-CB 3.28Å; N118-K122 VanDerWaalsContact O-CG 3.31Å; N118-K122 WeakPolarHBondContact O-CG 3.42Å; N118-K122 PolarHBondContact O-N 3.38Å
119C50.1Low48.9Very low44 Ų4482.7 Ų82.730%0.29747%0.471SS..Hα-helixtrans-67.2-42.9175.5-75.80000111.2T115 L116 S117 K122 M123T115-C119 WeakPolarHBondContact O-CB 3.12Å; T115-C119 PolarHBondContact O-N 3.17Å; T115-C119 PolarHBondContact O-SG 3.48Å; L116-C119 WeakPolarHBondContact O-CB 3.37Å; L116-C119 PolarHBondContact O-N 3.4Å; L116-C119 VanDerWaalsContact O-N 3.09Å; S117-C119 PolarHBondContact O-N 3.35Å; C119-K122 PolarHBondContact O-N 3.34Å; C119-M123 WeakPolarHBondContact O-CG 3.25Å; C119-M123 PolarHBondContact O-N 3.41Å; C119-M123 VanDerWaalsContact O-N 3.13Å
120Y40Very low47.2Very low157 Ų15783 Ų8362%0.61647%0.468SS*.Hα-helixtrans-66.6-40.2178.5-73.5-65.3000112.7L116 S117 K122 M123L116-Y120 HydrophobicContact CB-CD2 4.43Å; L116-Y120 HydrophobicContact CB-CE2 4.18Å; L116-Y120 HydrophobicContact CD2-CE2 3.95Å; L116-Y120 WeakPolarHBondContact O-CD2 3.5Å; L116-Y120 PolarHBondContact O-N 2.78Å; S117-Y120 PolarHBondContact O-N 3.48Å; Y120-K122 PolarHBondContact O-N 2.77Å; Y120-M123 PolarHBondContact O-N 2.99Å
121E42.9Very low45.1Very low162 Ų16289.2 Ų89.276%0.75748%0.482SS*.Hα-helixtrans-63.7-30.1176.2-73.1-17617800112.9S117S117-E121 WeakPolarHBondContact O-CG 3.39Å; S117-E121 PolarHBondContact O-N 3.33Å; S117-E121 VanDerWaalsContact O-N 3.08Å
122K41Very low42.9Very low162 Ų16291.1 Ų91.170%0.70451%0.506SS*.Hα-helixtrans-89.9-12.5-178.7-71.4177.4-175.6175.40114.3N118 C119 Y120 P124N118-K122 WeakPolarHBondContact O-CB 3.28Å; N118-K122 VanDerWaalsContact O-CG 3.31Å; N118-K122 WeakPolarHBondContact O-CG 3.42Å; N118-K122 PolarHBondContact O-N 3.38Å; C119-K122 PolarHBondContact O-N 3.34Å; Y120-K122 PolarHBondContact O-N 2.77Å; K122-P124 WeakPolarHBondContact O-CD 3.22Å
123M32.5Very low41.1Very low113 Ų11390.5 Ų90.556%0.55751%0.506SS*.SBendtrans-78.8108.3175.1-77-165-139.900109.1C119 Y120 S125C119-M123 WeakPolarHBondContact O-CG 3.25Å; C119-M123 PolarHBondContact O-N 3.41Å; C119-M123 VanDerWaalsContact O-N 3.13Å; Y120-M123 PolarHBondContact O-N 2.99Å; M123-S125 PolarHBondContact O-N 3.31Å
124P33.5Very low39.4Very low112 Ų11293.5 Ų93.573%0.72752%0.519SS*.  trans-59119.2161.725.9-31.4000106.1K122 P126K122-P124 WeakPolarHBondContact O-CD 3.22Å; P124-P126 WeakPolarHBondContact O-CD 3.29Å
125S31.8Very low37.6Very low109 Ų10991.8 Ų91.876%0.76252%0.517SS*.  trans-48.9110.7176.8-49.20000107.8M123M123-S125 PolarHBondContact O-N 3.31Å
126P30.6Very low35.9Very low67 Ų6799.5 Ų99.544%0.43555%0.546SS..  trans-69.7130.8-173.3-12.424.9000107.1P124 D128 S129P124-P126 WeakPolarHBondContact O-CD 3.29Å; P126-D128 PolarHBondContact O-N 3.04Å; P126-S129 PolarHBondContact O-N 3.32Å
127P40.2Very low34.5Very low127 Ų127106.6 Ų106.683%0.82557%0.57SS**THydrogen-bonded Turntrans-57.5-26.5-170.718.7-30.4000112.9
128D33.3Very low33.2Very low141 Ų141110.7 Ų110.775%0.75458%0.58SS**THydrogen-bonded Turntrans-118.910.3-179.6-59.2-53.1000113.8P126P126-D128 PolarHBondContact O-N 3.04Å
129S29.4Very low31.7Very low24 Ų24115.4 Ų115.417%0.16860%0.599CS.*  trans-72.7127.7176.3165.50000109.8P126 W131 G132P126-S129 PolarHBondContact O-N 3.32Å; S129-W131 PolarHBondContact O-N 3.17Å; S129-W131 VanDerWaalsContact OG-CD1 3.28Å; S129-W131 PolarHBondContact OG-N 3.31Å; S129-G132 PolarHBondContact O-N 3.39Å
130P30.6Very low30.5Very low65 Ų65118.6 Ų118.642%0.42261%0.613SS.*Hα-helixtrans-65.3-3.8177.627.8-32.9000112.9A133 V134P130-A133 VanDerWaalsContact C-N 3.29Å; P130-A133 HydrophobicContact CB-CB 4.3Å; P130-A133 CarbonylContact O-C 3.47Å; P130-A133 VanDerWaalsContact O-CA 3.25Å; P130-A133 WeakPolarHBondContact O-CA 3.46Å; P130-A133 PolarHBondContact O-N 2.84Å; P130-V134 VanDerWaalsContact O-CG2 3.22Å; P130-V134 WeakPolarHBondContact O-CG2 3.37Å; P130-V134 PolarHBondContact O-N 3.32Å
131W25Very low30.1Very low198 Ų198120.2 Ų120.275%0.7562%0.624SS**Hα-helixtrans-75-24.9168.6-59.4100000112.9S129 A133 V134S129-W131 PolarHBondContact O-N 3.17Å; S129-W131 VanDerWaalsContact OG-CD1 3.28Å; S129-W131 PolarHBondContact OG-N 3.31Å; W131-A133 VanDerWaalsContact C-N 3.26Å; W131-V134 HydrophobicContact CE3-CG2 4.3Å
132G27.8Very low29.6Very low58 Ų58118.8 Ų118.860%0.59862%0.621SS**Hα-helixtrans-75.2-17.3158.700000112.7S129S129-G132 PolarHBondContact O-N 3.39Å
133A26.3Very low28.9Very low19 Ų19117.5 Ų117.516%0.15762%0.616CS.*Hα-helixtrans-104.6-5.2-178.700000115.5P130 W131 A135 Y136 R137P130-A133 VanDerWaalsContact C-N 3.29Å; P130-A133 HydrophobicContact CB-CB 4.3Å; P130-A133 CarbonylContact O-C 3.47Å; P130-A133 VanDerWaalsContact O-CA 3.25Å; P130-A133 WeakPolarHBondContact O-CA 3.46Å; P130-A133 PolarHBondContact O-N 2.84Å; W131-A133 VanDerWaalsContact C-N 3.26Å; A133-A135 PolarHBondContact O-N 3.01Å; A133-Y136 CarbonylContact O-C 3.52Å; A133-Y136 PolarHBondContact O-N 3.42Å; A133-R137 HydrophobicContact CB-CB 4.34Å; A133-R137 HydrophobicContact CB-CG 3.9Å; A133-R137 WeakPolarHBondContact O-CB 3.29Å; A133-R137 PolarHBondContact O-N 2.88Å
134V25.5Very low29Very low114 Ų114114.9 Ų114.969%0.69161%0.608SS**THydrogen-bonded Turntrans-66-22.4169.6-179.20000108.9P130 W131P130-V134 VanDerWaalsContact O-CG2 3.22Å; P130-V134 WeakPolarHBondContact O-CG2 3.37Å; P130-V134 PolarHBondContact O-N 3.32Å; W131-V134 HydrophobicContact CE3-CG2 4.3Å
135A25.7Very low28.9Very low56 Ų56110.8 Ų110.846%0.46358%0.582SS.*THydrogen-bonded Turntrans-74.9-14.9167.600000114.8A133A133-A135 PolarHBondContact O-N 3.01Å
136Y25.9Very low29.2Very low180 Ų180107.2 Ų107.271%0.70656%0.556SS**THydrogen-bonded Turntrans-147.63.9-171.8-86.7-75.8000118.4A133 K138A133-Y136 CarbonylContact O-C 3.52Å; A133-Y136 PolarHBondContact O-N 3.42Å; Y136-K138 PolarHBondContact O-N 3.22Å
137R23Very low29.5Very low184 Ų184105.1 Ų105.169%0.69454%0.542SS*.SBendtrans-88.5103.7179.7-97.2-178.4-173.7-173.45.7112.7A133A133-R137 HydrophobicContact CB-CB 4.34Å; A133-R137 HydrophobicContact CB-CG 3.9Å; A133-R137 WeakPolarHBondContact O-CB 3.29Å; A133-R137 PolarHBondContact O-N 2.88Å
138K26.4Very low29.6Very low151 Ų151100 Ų10066%0.65751%0.507SS*.  trans78.193.9158.9-80.4-172.7160.7-151.60116.1Y136 D140 F143Y136-K138 PolarHBondContact O-N 3.22Å; K138-D140 IonicContact NZ-OD2 3.35Å; K138-D140 PolarHBondContact NZ-OD2 2.86Å; K138-D140 PolarHBondContact O-N 2.73Å; K138-F143 VanDerWaalsContact O-CZ 3.23Å; K138-F143 WeakPolarHBondContact O-CZ 3.48Å
139Q24.1Very low29.8Very low181 Ų18196.8 Ų96.885%0.84649%0.49SS*.  trans-52.280.7137.8-70.9179.1-11.500111
140D25.7Very low30.1Very low110 Ų11096.7 Ų96.759%0.58849%0.489SS*.  trans-119.980.7157.1-93-37.9000107.3K138 D142K138-D140 IonicContact NZ-OD2 3.35Å; K138-D140 PolarHBondContact NZ-OD2 2.86Å; K138-D140 PolarHBondContact O-N 2.73Å; D140-D142 VanDerWaalsContact C-N 3.31Å; D140-D142 PolarHBondContact O-N 2.81Å
141K31.7Very low30.5Very low192 Ų19296.5 Ų96.584%0.83548%0.484SS*.SBendtrans38.9-4.8152.2-72.6-173.8176.8179.80124.6
142D30.9Very low30.8Very low131 Ų13190.6 Ų90.670%0.70146%0.464SS*.  trans-130.260.5-179.6-63.5-47.9000111.2D140D140-D142 VanDerWaalsContact C-N 3.31Å; D140-D142 PolarHBondContact O-N 2.81Å
143F28.1Very low31.2Very low135 Ų13597.1 Ų97.159%0.59248%0.476SS*.  trans-78.2131.9-177.7-75.5-90.1000113.2K138K138-F143 VanDerWaalsContact O-CZ 3.23Å; K138-F143 WeakPolarHBondContact O-CZ 3.48Å
144C33.7Very low31.7Very low59 Ų59102.3 Ų102.340%0.39950%0.498SS..  trans-110.4130.5170.3-74.70000111.1P163 D165C144-P163 HydrophobicContact CB-CB 4.29Å; C144-D165 PolarHBondContact SG-OD1 2.73Å
145S31.7Very low32.4Very low26 Ų26101.5 Ų101.518%0.18249%0.487CS..  trans-74.2136.2-178.8-64.70000111.9P163 G210S145-P163 WeakPolarHBondContact O-CD 3.37Å; S145-G210 VanDerWaalsContact CB-O 3.23Å; S145-G210 WeakPolarHBondContact CB-O 3.44Å; S145-G210 PolarHBondContact OG-O 3.3Å; S145-G210 VanDerWaalsContact OG-O 3.13Å
146P37.2Very low32.9Very low34 Ų34104 Ų10422%0.22149%0.492CS..  trans-67151.2167.3111.7000111.1I160 A161 I162 W212P146-I160 HydrophobicContact CB-CG2 3.71Å; P146-A161 CarbonylContact C-O 3.54Å; P146-A161 VanDerWaalsContact CA-O 3.29Å; P146-A161 WeakPolarHBondContact CA-O 3.33Å; P146-I162 HydrophobicContact CB-CG1 4.03Å; P146-W212 HydrophobicContact CB-CE3 4.09Å; P146-W212 HydrophobicContact CB-CZ3 3.64Å; P146-W212 HydrophobicContact CG-CE3 3.63Å; P146-W212 HydrophobicContact CG-CZ3 3.73Å; P146-W212 WeakPolarHBondContact O-CH2 3.1Å; P146-W212 WeakPolarHBondContact O-CZ3 3.46Å
147V38Very low33.4Very low22 Ų2299 Ų9913%0.13349%0.488CS..EExtended strand (participates in β ladder)trans-117.8121.3-178.3179.90000108.9L149 I160 A161 C207V147-L149 HydrophobicContact CG1-CD2 4.27Å; V147-I160 CarbonylContact O-C 3.57Å; V147-I160 VanDerWaalsContact O-CA 3.31Å; V147-I160 WeakPolarHBondContact O-CA 3.45Å; V147-A161 HydrophobicContact CB-CB 4.47Å; V147-A161 PolarHBondContact N-O 3.24Å; V147-A161 PolarHBondContact O-N 3.45Å; V147-C207 HydrophobicContact CG1-CB 3.96Å
148L40.7Very low34.2Very low19 Ų1992.4 Ų92.410%0.09947%0.467CS..EExtended strand (participates in β ladder)trans-81.3125.8172-175.772.7000110V150 A157 I160 I225L148-V150 HydrophobicContact CD2-CG2 3.96Å; L148-V150 HydrophobicContact CG-CG2 4.08Å; L148-A157 HydrophobicContact CD1-CB 4.32Å; L148-I160 HydrophobicContact CD1-CD1 4.29Å; L148-I160 HydrophobicContact CD1-CG1 3.6Å; L148-I225 HydrophobicContact CD2-CD1 3.29Å; L148-I225 HydrophobicContact CD2-CG1 4.19Å; L148-I225 HydrophobicContact CD2-CG2 4.05Å
149L37.9Very low34.9Very low75 Ų7586.4 Ų86.439%0.39345%0.446SS..EExtended strand (participates in β ladder)trans-99.9122.1174.5-60.7176.7000108.9V147 V158 A159V147-L149 HydrophobicContact CG1-CD2 4.27Å; L149-V158 PolarHBondContact O-N 2.73Å; L149-A159 HydrophobicContact CB-CB 4.24Å; L149-A159 HydrophobicContact CD1-CB 4.05Å; L149-A159 PolarHBondContact N-O 3.28Å; L149-A159 PolarHBondContact O-N 3.49Å
150V37.2Very low35.5Very low22 Ų2283 Ų8313%0.13343%0.433CS..EExtended strand (participates in β ladder)trans-117129.7179.2-176.80000108.5L148 F152 L156L148-V150 HydrophobicContact CD2-CG2 3.96Å; L148-V150 HydrophobicContact CG-CG2 4.08Å; V150-F152 WeakPolarHBondContact O-CD2 3.22Å; V150-F152 PolarHBondContact O-N 3.4Å; V150-L156 WeakPolarHBondContact CA-O 3.47Å
151D37.3Very low36.2Very low60 Ų6079.9 Ų79.932%0.32142%0.422SS..EExtended strand (participates in β ladder)trans-78.9102.3170-176.4-22.7000107.8K153 M154 Q155 L156 V158D151-K153 VanDerWaalsContact C-N 3.26Å; D151-K153 PolarHBondContact O-N 2.77Å; D151-K153 WeakPolarHBondContact OD1-CA 3.42Å; D151-K153 WeakPolarHBondContact OD1-CB 3.31Å; D151-K153 PolarHBondContact OD1-N 3.48Å; D151-M154 HydrophobicContact CB-CB 4.13Å; D151-M154 CarbonylContact O-C 3.11Å; D151-M154 PolarHBondContact O-N 2.86Å; D151-M154 PolarHBondContact OD1-N 2.83Å; D151-M154 WeakPolarHBondContact OD2-CB 3.42Å; D151-M154 VanDerWaalsContact OD2-CG 3.23Å; D151-M154 WeakPolarHBondContact OD2-CG 3.45Å; D151-Q155 WeakPolarHBondContact O-CA 3.28Å; D151-Q155 PolarHBondContact O-N 2.77Å; D151-L156 PolarHBondContact N-O 3.47Å; D151-L156 PolarHBondContact O-N 3.45Å; D151-V158 HydrophobicContact CB-CG2 3.39Å; D151-V158 VanDerWaalsContact N-CG2 3.33Å
152F32.3Very low36.4Very low75 Ų7576 Ų7633%0.32941%0.409SS..THydrogen-bonded Turntrans-68.4-21.5-179.7-68.6-79.8000113.8V150 F233V150-F152 WeakPolarHBondContact O-CD2 3.22Å; V150-F152 PolarHBondContact O-N 3.4Å; F152-F233 HydrophobicContact CD1-CE2 4.24Å; F152-F233 HydrophobicContact CD1-CZ 4.2Å
153K36.9Very low36.5Very low195 Ų19572.8 Ų72.885%0.84840%0.396SS*.THydrogen-bonded Turntrans-78.2-37.5174.2-75.9-173.4177-1790111.4D151D151-K153 VanDerWaalsContact C-N 3.26Å; D151-K153 PolarHBondContact O-N 2.77Å; D151-K153 WeakPolarHBondContact OD1-CA 3.42Å; D151-K153 WeakPolarHBondContact OD1-CB 3.31Å; D151-K153 PolarHBondContact OD1-N 3.48Å
154M35.7Very low36.7Very low128 Ų12869 Ų6963%0.63139%0.386SS*.THydrogen-bonded Turntrans-99.2-4.2-176.1-62.3-73.4-76.900113.7D151 L156D151-M154 HydrophobicContact CB-CB 4.13Å; D151-M154 CarbonylContact O-C 3.11Å; D151-M154 PolarHBondContact O-N 2.86Å; D151-M154 PolarHBondContact OD1-N 2.83Å; D151-M154 WeakPolarHBondContact OD2-CB 3.42Å; D151-M154 VanDerWaalsContact OD2-CG 3.23Å; D151-M154 WeakPolarHBondContact OD2-CG 3.45Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.36Å
155Q40.2Very low36.8Very low97 Ų9771.4 Ų71.445%0.45340%0.395SS..THydrogen-bonded Turntrans59.333.3178.3-54.9174.4-4.200113.8D151 I236D151-Q155 WeakPolarHBondContact O-CA 3.28Å; D151-Q155 PolarHBondContact O-N 2.77Å; Q155-I236 HydrophobicContact CB-CD1 3.92Å; Q155-I236 HydrophobicContact CG-CD1 4.11Å
156L36Very low36.6Very low109 Ų10978.3 Ų78.357%0.57142%0.422SS*.EExtended strand (participates in β ladder)trans-125.4142.6-175.6-71.9169000111.9V150 D151 M154 V158V150-L156 WeakPolarHBondContact CA-O 3.47Å; D151-L156 PolarHBondContact N-O 3.47Å; D151-L156 PolarHBondContact O-N 3.45Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.36Å; L156-V158 PolarHBondContact O-N 3.48Å
157A36.8Very low36.3Very low75 Ų7584.2 Ų84.262%0.6245%0.45SS*.EExtended strand (participates in β ladder)trans-67.5121.4165.400000108.6L148L148-A157 HydrophobicContact CD1-CB 4.32Å
158V40Very low35.9Very low44 Ų4489 Ų8927%0.26748%0.475SS..EExtended strand (participates in β ladder)trans-97.3-41.2-173-178.40000111L149 D151 L156 V184L149-V158 PolarHBondContact O-N 2.73Å; D151-V158 HydrophobicContact CB-CG2 3.39Å; D151-V158 VanDerWaalsContact N-CG2 3.33Å; L156-V158 PolarHBondContact O-N 3.48Å; V158-V184 HydrophobicContact CG1-CG1 3.73Å
159A40Very low35.3Very low26 Ų2693.9 Ų93.922%0.21551%0.505CS..EExtended strand (participates in β ladder)trans-166.2161.4-173.900000112.3L149L149-A159 HydrophobicContact CB-CB 4.24Å; L149-A159 HydrophobicContact CD1-CB 4.05Å; L149-A159 PolarHBondContact N-O 3.28Å; L149-A159 PolarHBondContact O-N 3.49Å
160I38Very low34.9Very low109 Ų10993.8 Ų93.856%0.55951%0.508SS*.EExtended strand (participates in β ladder)trans-117.6117.3165.8-60.8171.5000106.8P146 V147 L148P146-I160 HydrophobicContact CB-CG2 3.71Å; V147-I160 CarbonylContact O-C 3.57Å; V147-I160 VanDerWaalsContact O-CA 3.31Å; V147-I160 WeakPolarHBondContact O-CA 3.45Å; L148-I160 HydrophobicContact CD1-CD1 4.29Å; L148-I160 HydrophobicContact CD1-CG1 3.6Å
161A39.9Very low34.5Very low44 Ų44100.2 Ų100.236%0.36454%0.536SS..EExtended strand (participates in β ladder)trans-97.6126.4177.800000110.3P146 V147P146-A161 CarbonylContact C-O 3.54Å; P146-A161 VanDerWaalsContact CA-O 3.29Å; P146-A161 WeakPolarHBondContact CA-O 3.33Å; V147-A161 HydrophobicContact CB-CB 4.47Å; V147-A161 PolarHBondContact N-O 3.24Å; V147-A161 PolarHBondContact O-N 3.45Å
162I35.4Very low34.2Very low111 Ų111100 Ų10057%0.56954%0.537SS*.  trans-104111.9174.8-56.3169.7000107.8P146 S164P146-I162 HydrophobicContact CB-CG1 4.03Å; I162-S164 PolarHBondContact O-N 2.85Å
163P33.5Very low34.2Very low63 Ų63104.4 Ų104.441%0.40956%0.559SS.*  trans-68.5128.5175.8-13.227.1000110.4C144 S145C144-P163 HydrophobicContact CB-CB 4.29Å; S145-P163 WeakPolarHBondContact O-CD 3.37Å
164S33.3Very low34Very low55 Ų5598.6 Ų98.639%0.38554%0.537SS..  trans-100139169.5125.60000109.4I162 K166I162-S164 PolarHBondContact O-N 2.85Å; S164-K166 PolarHBondContact O-N 2.85Å; S164-K166 PolarHBondContact OG-N 2.85Å
165D35.1Very low34Very low111 Ų11198.3 Ų98.359%0.59454%0.538SS*.SBendtrans-69.8-0.1-175.6-54.9-20.9000113.8C144C144-D165 PolarHBondContact SG-OD1 2.73Å
166K27.9Very low33.5Very low171 Ų17196.4 Ų96.474%0.74353%0.529SS*.SBendtrans-100.9107.6176.2-68.7-175.8-177.81750109S164 N168S164-K166 PolarHBondContact O-N 2.85Å; S164-K166 PolarHBondContact OG-N 2.85Å; K166-N168 PolarHBondContact O-N 3.36Å; K166-N168 VanDerWaalsContact O-N 3.13Å
167I30.1Very low33.3Very low158 Ų15893 Ų9381%0.8152%0.517SS*.SBendtrans-38.2120.1162.8-63.1169000108.7
168N30Very low32.9Very low123 Ų12393 Ų9366%0.65851%0.506SS*.SBendtrans76.3112.4-177.8-56.3-33.3000114.9K166K166-N168 PolarHBondContact O-N 3.36Å; K166-N168 VanDerWaalsContact O-N 3.13Å
169T27.3Very low32.5Very low120 Ų12093.7 Ų93.774%0.73651%0.505SS*.  trans68.8102.2166.452.50000116E171T169-E171 PolarHBondContact O-N 3.39Å
170T29.4Very low32.2Very low73 Ų7396.8 Ų96.845%0.44852%0.517SS..  trans-67.4110.9149.3-46.60000106.6V172T170-V172 PolarHBondContact O-N 2.76Å
171E30.4Very low32Very low157 Ų15794.2 Ų94.273%0.73450%0.504SS*.  trans-66.5102.1161.6-75.3179.3161.500106.2T169 E173T169-E171 PolarHBondContact O-N 3.39Å; E171-E173 HydrophobicContact CB-CG 4.44Å; E171-E173 PolarHBondContact O-N 2.98Å; E171-E173 VanDerWaalsContact O-N 3.07Å
172V30.5Very low31.6Very low55 Ų5596.7 Ų96.733%0.33351%0.511SS..  trans-73.792.4163.9-177.60000104.4T170 D174 A177 L178T170-V172 PolarHBondContact O-N 2.76Å; V172-D174 HydrophobicContact CG1-CB 4.39Å; V172-D174 WeakPolarHBondContact CG1-O 3.34Å; V172-D174 PolarHBondContact O-N 3.32Å; V172-A177 HydrophobicContact CG1-CB 3.99Å; V172-L178 HydrophobicContact CB-CD1 4Å; V172-L178 HydrophobicContact CB-CD2 4.45Å; V172-L178 HydrophobicContact CB-CG 3.93Å; V172-L178 HydrophobicContact CG1-CD1 4.19Å; V172-L178 HydrophobicContact CG1-CG 3.86Å; V172-L178 VanDerWaalsContact O-CD1 3.25Å; V172-L178 WeakPolarHBondContact O-CD1 3.4Å
173E31.3Very low31.4Very low169 Ų16993.6 Ų93.679%0.7950%0.495SS*.  trans-69.5-7.3176.4-67.6-171.816500112.2E171 D175E171-E173 HydrophobicContact CB-CG 4.44Å; E171-E173 PolarHBondContact O-N 2.98Å; E171-E173 VanDerWaalsContact O-N 3.07Å; E173-D175 PolarHBondContact O-N 3.48Å
174D33.8Very low31.3Very low72 Ų7293.7 Ų93.739%0.38549%0.494SS..  trans-93.894.4177.2-157.5-29.9000110.6V172 E176 A177 L178V172-D174 HydrophobicContact CG1-CB 4.39Å; V172-D174 WeakPolarHBondContact CG1-O 3.34Å; V172-D174 PolarHBondContact O-N 3.32Å; D174-E176 PolarHBondContact O-N 3.38Å; D174-E176 WeakPolarHBondContact OD1-CB 3.12Å; D174-E176 PolarHBondContact OD1-N 2.82Å; D174-A177 HydrophobicContact CB-CB 4.22Å; D174-A177 PolarHBondContact O-N 2.94Å; D174-A177 VanDerWaalsContact O-N 3.11Å; D174-L178 PolarHBondContact O-N 2.82Å; D174-L178 VanDerWaalsContact O-N 3.12Å
175D34.4Very low31.1Very low122 Ų12295.6 Ų95.665%0.65250%0.499SS*.Hα-helixtrans-52.3-24.5174.4-68-38.1000112.1E173 F179E173-D175 PolarHBondContact O-N 3.48Å; D175-F179 WeakPolarHBondContact O-CB 3.42Å; D175-F179 PolarHBondContact O-N 3.15Å
176E31.3Very low31Very low57 Ų5797.2 Ų97.227%0.26650%0.503SS..Hα-helixtrans-75.4-42.4179.5-168.5162.3-149.900112.2L86 L116 D174 L178 F179 I180L86-E176 WeakPolarHBondContact CD1-OE1 3.15Å; L116-E176 WeakPolarHBondContact CD2-OE1 3.29Å; D174-E176 PolarHBondContact O-N 3.38Å; D174-E176 WeakPolarHBondContact OD1-CB 3.12Å; D174-E176 PolarHBondContact OD1-N 2.82Å; E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.29Å; E176-F179 PolarHBondContact O-N 3.47Å; E176-I180 WeakPolarHBondContact O-CG1 3.48Å; E176-I180 PolarHBondContact O-N 3.09Å; E176-I180 VanDerWaalsContact O-N 3.07Å
177A31.2Very low31Very low38 Ų3895.5 Ų95.531%0.31450%0.496SS..Hα-helixtrans-64.2-39.7171.800000110.7V172 D174 I180 I181V172-A177 HydrophobicContact CG1-CB 3.99Å; D174-A177 HydrophobicContact CB-CB 4.22Å; D174-A177 PolarHBondContact O-N 2.94Å; D174-A177 VanDerWaalsContact O-N 3.11Å; A177-I180 PolarHBondContact O-N 3.49Å; A177-I181 WeakPolarHBondContact O-CB 3.26Å; A177-I181 VanDerWaalsContact O-CD1 3.3Å; A177-I181 WeakPolarHBondContact O-CD1 3.15Å; A177-I181 WeakPolarHBondContact O-CG1 3.24Å; A177-I181 PolarHBondContact O-N 3.37Å
178L29Very low30.9Very low75 Ų7590.5 Ų90.539%0.39348%0.475SS..Hα-helixtrans-62.4-41.8174-85.8161.5000112.2V172 D174 E176 I181 D182V172-L178 HydrophobicContact CB-CD1 4Å; V172-L178 HydrophobicContact CB-CD2 4.45Å; V172-L178 HydrophobicContact CB-CG 3.93Å; V172-L178 HydrophobicContact CG1-CD1 4.19Å; V172-L178 HydrophobicContact CG1-CG 3.86Å; V172-L178 VanDerWaalsContact O-CD1 3.25Å; V172-L178 WeakPolarHBondContact O-CD1 3.4Å; D174-L178 PolarHBondContact O-N 2.82Å; D174-L178 VanDerWaalsContact O-N 3.12Å; E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.29Å; L178-I181 CarbonylContact O-C 3.49Å; L178-I181 PolarHBondContact O-N 3.17Å; L178-D182 VanDerWaalsContact O-CB 3.32Å; L178-D182 WeakPolarHBondContact O-CB 3.32Å; L178-D182 PolarHBondContact O-N 3.16Å
179F31Very low30.7Very low58 Ų5896.1 Ų96.125%0.25449%0.488SS..Hα-helixtrans-65.1-41.9178.3-179-103000112.4A90 L112 D175 E176 I181 D182 E183A90-F179 HydrophobicContact CB-CD2 3.52Å; A90-F179 HydrophobicContact CB-CE2 3.29Å; A90-F179 HydrophobicContact CB-CG 4.36Å; A90-F179 HydrophobicContact CB-CZ 3.97Å; L112-F179 HydrophobicContact CD1-CE1 4.04Å; D175-F179 WeakPolarHBondContact O-CB 3.42Å; D175-F179 PolarHBondContact O-N 3.15Å; E176-F179 PolarHBondContact O-N 3.47Å; F179-I181 VanDerWaalsContact C-N 3.33Å; F179-D182 PolarHBondContact O-N 2.79Å; F179-E183 HydrophobicContact CE1-CG 4.4Å; F179-E183 HydrophobicContact CE2-CG 4.2Å; F179-E183 HydrophobicContact CZ-CG 3.95Å; F179-E183 PolarHBondContact O-N 3.47Å
180I34Very low30.6Very low91 Ų9198.9 Ų98.947%0.46749%0.491SS..Hα-helixtrans-63.1-43.3174.2-65.6170.3000110E176 A177 V184E176-I180 WeakPolarHBondContact O-CG1 3.48Å; E176-I180 PolarHBondContact O-N 3.09Å; E176-I180 VanDerWaalsContact O-N 3.07Å; A177-I180 PolarHBondContact O-N 3.49Å; I180-V184 VanDerWaalsContact O-CB 3.28Å; I180-V184 WeakPolarHBondContact O-CB 3.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.37Å; I180-V184 PolarHBondContact O-N 3.33Å; I180-V184 VanDerWaalsContact O-N 3.17Å
181I33.1Very low30.3Very low55 Ų5599.6 Ų99.628%0.28251%0.513SS..Hα-helixtrans-62.4-43.4176.4-70.3164.9000110.7A177 L178 F179 V184 L185A177-I181 WeakPolarHBondContact O-CB 3.26Å; A177-I181 VanDerWaalsContact O-CD1 3.3Å; A177-I181 WeakPolarHBondContact O-CD1 3.15Å; A177-I181 WeakPolarHBondContact O-CG1 3.24Å; A177-I181 PolarHBondContact O-N 3.37Å; L178-I181 CarbonylContact O-C 3.49Å; L178-I181 PolarHBondContact O-N 3.17Å; F179-I181 VanDerWaalsContact C-N 3.33Å; I181-V184 PolarHBondContact O-N 3.3Å; I181-L185 HydrophobicContact CG2-CD1 3.44Å; I181-L185 VanDerWaalsContact CG2-CD1 3.44Å; I181-L185 HydrophobicContact CG2-CG 4.1Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CG 3.49Å; I181-L185 PolarHBondContact O-N 2.95Å
182D31.4Very low29.9Very low97 Ų9794.7 Ų94.752%0.51950%0.504SS..Hα-helixtrans-74.1-42.5-175.1-150.533.5000112.5L178 F179 V184 L185 E186L178-D182 VanDerWaalsContact O-CB 3.32Å; L178-D182 WeakPolarHBondContact O-CB 3.32Å; L178-D182 PolarHBondContact O-N 3.16Å; F179-D182 PolarHBondContact O-N 2.79Å; D182-V184 VanDerWaalsContact C-N 3.28Å; D182-V184 PolarHBondContact O-N 3.5Å; D182-L185 PolarHBondContact O-N 3.21Å; D182-E186 WeakPolarHBondContact O-CB 3.16Å; D182-E186 PolarHBondContact O-N 3.02Å
183E30.5Very low29.5Very low46 Ų4698.8 Ų98.822%0.21552%0.524CS..Hα-helixtrans-66.2-30.5174.5-98.1-87.9175.400112.3R97 K105 F179R97-E183 IonicContact CZ-OE1 3.48Å; R97-E183 IonicContact NH1-OE1 3.97Å; R97-E183 PolarHBondContact NH1-OE1 3.07Å; R97-E183 IonicContact NH2-OE1 2.77Å; R97-E183 PolarHBondContact NH2-OE1 2.96Å; K105-E183 IonicContact NZ-OE1 2.83Å; K105-E183 IonicContact NZ-OE2 2.79Å; K105-E183 PolarHBondContact NZ-OE2 3.12Å; F179-E183 HydrophobicContact CE1-CG 4.4Å; F179-E183 HydrophobicContact CE2-CG 4.2Å; F179-E183 HydrophobicContact CZ-CG 3.95Å; F179-E183 PolarHBondContact O-N 3.47Å
184V31.7Very low29.1Very low64 Ų6498 Ų9839%0.38853%0.531SS..Hα-helixtrans-77.1-40.6174.5174.70000111V158 I180 I181 D182V158-V184 HydrophobicContact CG1-CG1 3.73Å; I180-V184 VanDerWaalsContact O-CB 3.28Å; I180-V184 WeakPolarHBondContact O-CB 3.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.37Å; I180-V184 PolarHBondContact O-N 3.33Å; I180-V184 VanDerWaalsContact O-N 3.17Å; I181-V184 PolarHBondContact O-N 3.3Å; D182-V184 VanDerWaalsContact C-N 3.28Å; D182-V184 PolarHBondContact O-N 3.5Å
185L30.5Very low28.6Very low95 Ų95104.3 Ų104.350%0.49755%0.549SS..Hα-helixtrans-74.4-34.6-179.5-72.6178.4000113.2I181 D182 K187 S188I181-L185 HydrophobicContact CG2-CD1 3.44Å; I181-L185 VanDerWaalsContact CG2-CD1 3.44Å; I181-L185 HydrophobicContact CG2-CG 4.1Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CG 3.49Å; I181-L185 PolarHBondContact O-N 2.95Å; D182-L185 PolarHBondContact O-N 3.21Å; L185-K187 PolarHBondContact O-N 2.99Å; L185-K187 VanDerWaalsContact O-N 3.16Å; L185-S188 WeakPolarHBondContact O-CB 3.3Å; L185-S188 PolarHBondContact O-N 2.85Å; L185-S188 PolarHBondContact O-OG 3.4Å; L185-S188 VanDerWaalsContact O-OG 3.14Å
186E32.2Very low28Very low146 Ų146107.7 Ų107.768%0.68256%0.558SS**THydrogen-bonded Turntrans-64.6-18.7178.4-85.4-158.415300113.6D182 S188D182-E186 WeakPolarHBondContact O-CB 3.16Å; D182-E186 PolarHBondContact O-N 3.02Å; E186-S188 VanDerWaalsContact C-N 3.26Å
187K28.8Very low27.7Very low134 Ų134111.8 Ų111.858%0.58358%0.581SS**THydrogen-bonded Turntrans-78.8-9.3170.2-78.8-167.5178179.50113.8L185 Y189L185-K187 PolarHBondContact O-N 2.99Å; L185-K187 VanDerWaalsContact O-N 3.16Å; K187-Y189 PolarHBondContact O-N 3.25Å; K187-Y189 VanDerWaalsContact O-N 3.09Å
188S27.3Very low27.2Very low54 Ų54117.3 Ų117.338%0.37861%0.606SS.*SBendtrans-78.3100.1174.4-47.40000108L185 E186 F190L185-S188 WeakPolarHBondContact O-CB 3.3Å; L185-S188 PolarHBondContact O-N 2.85Å; L185-S188 PolarHBondContact O-OG 3.4Å; L185-S188 VanDerWaalsContact O-OG 3.14Å; E186-S188 VanDerWaalsContact C-N 3.26Å; S188-F190 PolarHBondContact O-N 3.23Å
189Y25Very low27Very low240 Ų240121.5 Ų121.594%0.94163%0.628SS**  trans-56.452.9170.8-98.8-98.9000113.4K187 G191K187-Y189 PolarHBondContact O-N 3.25Å; K187-Y189 VanDerWaalsContact O-N 3.09Å; Y189-G191 PolarHBondContact O-N 2.72Å
190F25.6Very low26.6Very low179 Ų179124.2 Ų124.279%0.78565%0.649SS**  trans-89.480169.3-73.5-74.1000108.4S188 G192S188-F190 PolarHBondContact O-N 3.23Å; F190-G192 VanDerWaalsContact C-N 3.31Å; F190-G192 PolarHBondContact O-N 2.93Å
191G23.5Very low26.3Very low88 Ų88125.5 Ų125.591%0.90766%0.663SS**  trans-57.899.7155.700000108.4Y189Y189-G191 PolarHBondContact O-N 2.72Å
192G22.1Very low26.1Very low54 Ų54134.2 Ų134.256%0.55769%0.693SS**SBendtrans16484.3-179.300000113.2F190 V194F190-G192 VanDerWaalsContact C-N 3.31Å; F190-G192 PolarHBondContact O-N 2.93Å; G192-V194 PolarHBondContact O-N 3.27Å; G192-V194 VanDerWaalsContact O-N 3.11Å
193N22.5Very low25.8Very low141 Ų141138.7 Ų138.775%0.75471%0.707SS**  trans13.286.7153.9-70.7-41.2000116.1R195N193-R195 HydrophobicContact CB-CG 4.4Å; N193-R195 PolarHBondContact O-N 2.77Å
194V23.4Very low25.6Very low153 Ų153147.8 Ų147.893%0.92774%0.74SS**  trans-68.287.1159.7-178.60000107G192G192-V194 PolarHBondContact O-N 3.27Å; G192-V194 VanDerWaalsContact O-N 3.11Å
195R21.8Very low25.3Very low204 Ų204148.6 Ų148.677%0.7775%0.749SS**  trans-85.4121172-79.7-173.1179.7-171.30.8109.2N193 N197N193-R195 HydrophobicContact CB-CG 4.4Å; N193-R195 PolarHBondContact O-N 2.77Å; R195-N197 PolarHBondContact O-N 2.75Å
196K22.7Very low25.2Very low193 Ų193150.7 Ų150.784%0.83976%0.756SS**THydrogen-bonded Turntrans-41.4128.4166.9-155.7173.4-176.31750110
197N23.9Very low25.2Very low142 Ų142147.4 Ų147.476%0.75975%0.748SS**THydrogen-bonded Turntrans93.216.7170.1-54.3-17.5000120.4R195R195-N197 PolarHBondContact O-N 2.75Å
198N22.3Very low25.4Very low154 Ų154143.2 Ų143.282%0.82473%0.732SS**  trans-15093160.3-84.6-44.4000111.3V200N198-V200 PolarHBondContact O-N 3.3Å
199L23.9Very low25.6Very low164 Ų164146.9 Ų146.986%0.85975%0.747SS**  trans-53.5124.4170.8-74.9155.3000110.1P201L199-P201 WeakPolarHBondContact O-CD 3.39Å
200V23.1Very low26.1Very low114 Ų114136 Ų13669%0.69171%0.708SS**  trans-72.9123.9168.9-177.50000107.3N198 W202N198-V200 PolarHBondContact O-N 3.3Å; V200-W202 PolarHBondContact O-N 3.14Å; V200-W202 VanDerWaalsContact O-N 3.15Å
201P26.6Very low26.4Very low119 Ų119135.9 Ų135.977%0.77370%0.703SS**  trans-69.4112.2179.724.2-29.1000110L199L199-P201 WeakPolarHBondContact O-CD 3.39Å
202W30.1Very low27.3Very low237 Ų237134 Ų13490%0.89867%0.669SS**  trans-68.4131.4176.1-72.561.3000109.2V200 R204V200-W202 PolarHBondContact O-N 3.14Å; V200-W202 VanDerWaalsContact O-N 3.15Å; W202-R204 PolarHBondContact O-N 2.67Å; W202-R204 VanDerWaalsContact O-N 3.15Å
203K24.4Very low27.8Very low191 Ų191134.9 Ų134.983%0.8367%0.671SS**  trans-63117.4176.2-84-175.3174.8-179.20108.7S205K203-S205 PolarHBondContact O-N 2.87Å
204R25.6Very low28.4Very low237 Ų237130.7 Ų130.789%0.89465%0.65SS**  trans-53.5-6.5-178.8-82.3-178.2171.4176.8-4.1117.5W202 E206W202-R204 PolarHBondContact O-N 2.67Å; W202-R204 VanDerWaalsContact O-N 3.15Å; R204-E206 PolarHBondContact O-N 3.23Å
205S26.1Very low29.4Very low82 Ų82126.5 Ų126.557%0.57363%0.626SS**THydrogen-bonded Turntrans-86.59417456.10000106.5K203K203-S205 PolarHBondContact O-N 2.87Å
206E27.6Very low30.5Very low139 Ų139121.2 Ų121.265%0.6561%0.613SS**THydrogen-bonded Turn-174.665.268.7-79.3143.4-176.500107.8R204R204-E206 PolarHBondContact O-N 3.23Å
207C33.5Very low31.4Very low76 Ų76114 Ų11451%0.51458%0.584SS.*  trans-72.4128.4170.6-71.60000109.3V147 D209V147-C207 HydrophobicContact CG1-CB 3.96Å; C207-D209 VanDerWaalsContact C-N 3.3Å; C207-D209 PolarHBondContact O-N 2.82Å; C207-D209 VanDerWaalsContact O-N 3.07Å
208I32.2Very low32.4Very low47 Ų47110.1 Ų110.124%0.24157%0.565CS.*EExtended strand (participates in β ladder)trans-78.890.5164.4-58.1176.8000106.3G210 I225I208-G210 PolarHBondContact O-N 3.18Å; I208-I225 HydrophobicContact CD1-CG1 4.15Å
209D32.7Very low33.5Very low130 Ų130109.1 Ų109.170%0.69555%0.553SS**EExtended strand (participates in β ladder)trans-76.5116.3174.5-154-6.3000108.2C207C207-D209 VanDerWaalsContact C-N 3.3Å; C207-D209 PolarHBondContact O-N 2.82Å; C207-D209 VanDerWaalsContact O-N 3.07Å
210G33.5Very low34.6Very low12 Ų12107.5 Ų107.512%0.12454%0.539CS..  trans-126.8129-177.200000110.8S145 I208 W212S145-G210 VanDerWaalsContact CB-O 3.23Å; S145-G210 WeakPolarHBondContact CB-O 3.44Å; S145-G210 PolarHBondContact OG-O 3.3Å; S145-G210 VanDerWaalsContact OG-O 3.13Å; I208-G210 PolarHBondContact O-N 3.18Å; G210-W212 PolarHBondContact O-N 2.84Å
211Y33.2Very low35.8Very low176 Ų176103.3 Ų103.369%0.6952%0.515SS*.  trans-83.3108.3175.5-169-97.8000109.2A213Y211-A213 HydrophobicContact CE1-CB 4.13Å
212W42.3Very low36.7Very low50 Ų50102.4 Ų102.419%0.18950%0.504CS..  trans-116.990-172.5-51.4-34.5000110.6P146 G210 D217 V218 S221P146-W212 HydrophobicContact CB-CE3 4.09Å; P146-W212 HydrophobicContact CB-CZ3 3.64Å; P146-W212 HydrophobicContact CG-CE3 3.63Å; P146-W212 HydrophobicContact CG-CZ3 3.73Å; P146-W212 WeakPolarHBondContact O-CH2 3.1Å; P146-W212 WeakPolarHBondContact O-CZ3 3.46Å; G210-W212 PolarHBondContact O-N 2.84Å; W212-D217 HydrophobicContact CB-CB 4.36Å; W212-V218 HydrophobicContact CB-CG2 3.92Å; W212-V218 HydrophobicContact CG-CG2 4.25Å; W212-S221 VanDerWaalsContact CD1-OG 3.25Å; W212-S221 PolarHBondContact NE1-OG 2.94Å
213A31.7Very low37.6Very low72 Ų7294.2 Ų94.260%0.59548%0.479SS*.SBendtrans-87.1-22.9179.300000112.3Y211 D217Y211-A213 HydrophobicContact CE1-CB 4.13Å; A213-D217 PolarHBondContact N-OD2 3.27Å
214T36.6Very low38.6Very low53 Ų5391.4 Ų91.433%0.32547%0.465SS..SBendtrans-135.5157.6-174.668.30000112.2D216 D217 V218T214-D216 PolarHBondContact O-N 2.97Å; T214-D217 PolarHBondContact N-OD2 2.64Å; T214-D217 WeakPolarHBondContact O-CB 3.43Å; T214-D217 PolarHBondContact O-N 3.27Å; T214-D217 PolarHBondContact OG1-N 2.77Å; T214-D217 PolarHBondContact OG1-OD2 3.03Å; T214-V218 PolarHBondContact O-N 3.24Å
215P44.3Very low39.7Very low64 Ų6480.8 Ų80.842%0.41643%0.425SS..Hα-helixtrans-55.9-30.4172.3-26.935.4000113.5D217 V218 K219P215-D217 VanDerWaalsContact C-N 3.34Å; P215-V218 PolarHBondContact O-N 2.87Å; P215-K219 WeakPolarHBondContact O-CG 3.36Å; P215-K219 PolarHBondContact O-N 3.11Å
216D44Very low40.6Very low94 Ų9484 Ų8450%0.50343%0.425SS..Hα-helixtrans-69.5-30.5174.7-83.4-2.1000112.2T214 K219 K220T214-D216 PolarHBondContact O-N 2.97Å; D216-K219 PolarHBondContact O-N 3.04Å; D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CG 3.41Å; D216-K220 PolarHBondContact O-N 2.97Å
217D42.6Very low41.5Very low41 Ų4181.8 Ų81.822%0.21942%0.415CS..Hα-helixtrans-71.1-36.7174-57.3-40.6000111.5W212 A213 T214 P215 K220 S221W212-D217 HydrophobicContact CB-CB 4.36Å; A213-D217 PolarHBondContact N-OD2 3.27Å; T214-D217 PolarHBondContact N-OD2 2.64Å; T214-D217 WeakPolarHBondContact O-CB 3.43Å; T214-D217 PolarHBondContact O-N 3.27Å; T214-D217 PolarHBondContact OG1-N 2.77Å; T214-D217 PolarHBondContact OG1-OD2 3.03Å; P215-D217 VanDerWaalsContact C-N 3.34Å; D217-K220 IonicContact OD1-NZ 3.41Å; D217-S221 VanDerWaalsContact O-CB 3.26Å; D217-S221 WeakPolarHBondContact O-CB 3.15Å; D217-S221 PolarHBondContact O-N 2.72Å; D217-S221 PolarHBondContact O-OG 2.88Å
218V44.9Very low41.9Very low61 Ų6182.9 Ų82.937%0.3741%0.409SS..Hα-helixtrans-64.3-47.8171.8-179.80000110.1W212 T214 P215 K220 S221 L222W212-V218 HydrophobicContact CB-CG2 3.92Å; W212-V218 HydrophobicContact CG-CG2 4.25Å; T214-V218 PolarHBondContact O-N 3.24Å; P215-V218 PolarHBondContact O-N 2.87Å; V218-K220 PolarHBondContact O-N 3.42Å; V218-S221 PolarHBondContact O-N 3.12Å; V218-S221 VanDerWaalsContact O-N 3.15Å; V218-L222 HydrophobicContact CG1-CD1 4.21Å; V218-L222 HydrophobicContact CG1-CG 4.45Å; V218-L222 WeakPolarHBondContact O-CG 3.11Å; V218-L222 PolarHBondContact O-N 3.27Å
219K45.6Very low42.3Very low132 Ų13282.2 Ų82.257%0.57441%0.405SS*.Hα-helixtrans-59.7-46.8175.7-75.4177.3-177172.60111.9P215 D216 S221 L222 V223P215-K219 WeakPolarHBondContact O-CG 3.36Å; P215-K219 PolarHBondContact O-N 3.11Å; D216-K219 PolarHBondContact O-N 3.04Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 3.46Å; K219-L222 PolarHBondContact O-N 2.92Å; K219-V223 WeakPolarHBondContact O-CB 3.18Å; K219-V223 VanDerWaalsContact O-CG2 3.29Å; K219-V223 WeakPolarHBondContact O-CG2 3.4Å; K219-V223 PolarHBondContact O-N 3.13Å
220K46.3Very low42.8Very low130 Ų13079.9 Ų79.957%0.56539%0.39SS*.Hα-helixtrans-59.4-38.6175.1-76.3169.1-169.7166.40111.5D216 D217 V218 V223 Y224D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CG 3.41Å; D216-K220 PolarHBondContact O-N 2.97Å; D217-K220 IonicContact OD1-NZ 3.41Å; V218-K220 PolarHBondContact O-N 3.42Å; K220-V223 PolarHBondContact O-N 3.07Å; K220-Y224 VanDerWaalsContact O-CB 3.26Å; K220-Y224 WeakPolarHBondContact O-CB 3.1Å; K220-Y224 PolarHBondContact O-N 3.47Å
221S47.2Very low43.1Very low26 Ų2684.9 Ų84.918%0.18242%0.418CS..Hα-helixtrans-70.9-40.5178.5-60.20000111.7W212 D217 V218 K219 Y224 I225W212-S221 VanDerWaalsContact CD1-OG 3.25Å; W212-S221 PolarHBondContact NE1-OG 2.94Å; D217-S221 VanDerWaalsContact O-CB 3.26Å; D217-S221 WeakPolarHBondContact O-CB 3.15Å; D217-S221 PolarHBondContact O-N 2.72Å; D217-S221 PolarHBondContact O-OG 2.88Å; V218-S221 PolarHBondContact O-N 3.12Å; V218-S221 VanDerWaalsContact O-N 3.15Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 3.46Å; S221-Y224 CarbonylContact O-C 3.58Å; S221-Y224 PolarHBondContact O-N 2.92Å; S221-I225 VanDerWaalsContact O-CB 3.32Å; S221-I225 WeakPolarHBondContact O-CB 3.26Å; S221-I225 VanDerWaalsContact O-CD1 3.24Å; S221-I225 WeakPolarHBondContact O-CD1 3.19Å; S221-I225 WeakPolarHBondContact O-CG1 3.4Å; S221-I225 PolarHBondContact O-N 2.75Å
222L47.3Very low43.1Very low101 Ų10179.7 Ų79.753%0.52941%0.405SS..Hα-helixtrans-64.3-39.9172.7-69.9174.6000111.8V218 K219 I225 R226V218-L222 HydrophobicContact CG1-CD1 4.21Å; V218-L222 HydrophobicContact CG1-CG 4.45Å; V218-L222 WeakPolarHBondContact O-CG 3.11Å; V218-L222 PolarHBondContact O-N 3.27Å; K219-L222 PolarHBondContact O-N 2.92Å; L222-I225 PolarHBondContact O-N 3.23Å; L222-R226 VanDerWaalsContact O-CB 3.29Å; L222-R226 WeakPolarHBondContact O-CB 3.11Å; L222-R226 PolarHBondContact O-N 3.42Å
223V49.1Very low42.8Very low64 Ų6480.1 Ų80.139%0.38841%0.408SS..Hα-helixtrans-63.1-46.7172.2171.30000110.2K219 K220 I225 R226 E227K219-V223 WeakPolarHBondContact O-CB 3.18Å; K219-V223 VanDerWaalsContact O-CG2 3.29Å; K219-V223 WeakPolarHBondContact O-CG2 3.4Å; K219-V223 PolarHBondContact O-N 3.13Å; K220-V223 PolarHBondContact O-N 3.07Å; V223-I225 PolarHBondContact O-N 2.75Å; V223-R226 WeakPolarHBondContact O-CB 3.35Å; V223-R226 PolarHBondContact O-N 2.78Å; V223-E227 HydrophobicContact CG1-CG 4.21Å; V223-E227 WeakPolarHBondContact CG1-OE1 3.47Å; V223-E227 WeakPolarHBondContact O-CB 3.32Å; V223-E227 VanDerWaalsContact O-CG 3.28Å; V223-E227 WeakPolarHBondContact O-CG 3.22Å; V223-E227 PolarHBondContact O-N 3.07Å
224Y43.9Very low43.2Very low133 Ų13381.1 Ų81.152%0.52241%0.409SS..Hα-helixtrans-62.3-41.6176.7178.5-96.2000112.1K220 S221 E227 Y228K220-Y224 VanDerWaalsContact O-CB 3.26Å; K220-Y224 WeakPolarHBondContact O-CB 3.1Å; K220-Y224 PolarHBondContact O-N 3.47Å; S221-Y224 CarbonylContact O-C 3.58Å; S221-Y224 PolarHBondContact O-N 2.92Å; Y224-E227 PolarHBondContact O-N 2.93Å; Y224-Y228 WeakPolarHBondContact O-CB 3.3Å; Y224-Y228 PolarHBondContact O-N 2.87Å
225I49.1Very low43.1Very low14 Ų1486.5 Ų86.57%0.07243%0.434CS..Hα-helixtrans-63.1-46.9175.1-72.7154.7000109.3L148 I208 S221 L222 V223 E227 Y228 L229L148-I225 HydrophobicContact CD2-CD1 3.29Å; L148-I225 HydrophobicContact CD2-CG1 4.19Å; L148-I225 HydrophobicContact CD2-CG2 4.05Å; I208-I225 HydrophobicContact CD1-CG1 4.15Å; S221-I225 VanDerWaalsContact O-CB 3.32Å; S221-I225 WeakPolarHBondContact O-CB 3.26Å; S221-I225 VanDerWaalsContact O-CD1 3.24Å; S221-I225 WeakPolarHBondContact O-CD1 3.19Å; S221-I225 WeakPolarHBondContact O-CG1 3.4Å; S221-I225 PolarHBondContact O-N 2.75Å; L222-I225 PolarHBondContact O-N 3.23Å; V223-I225 PolarHBondContact O-N 2.75Å; I225-E227 PolarHBondContact O-N 3.15Å; I225-Y228 PolarHBondContact O-N 3.44Å; I225-L229 HydrophobicContact CG2-CD1 3.84Å; I225-L229 HydrophobicContact CG2-CG 4.39Å; I225-L229 VanDerWaalsContact O-CB 3.29Å; I225-L229 WeakPolarHBondContact O-CB 3.25Å; I225-L229 WeakPolarHBondContact O-CG 3.06Å; I225-L229 PolarHBondContact O-N 2.83Å
226R45.3Very low42.4Very low149 Ų14986.4 Ų86.456%0.56243%0.43SS*.Hα-helixtrans-58.7-48.5175.6-169-172.979.6175.23.1111.2L222 V223 L229 Q230L222-R226 VanDerWaalsContact O-CB 3.29Å; L222-R226 WeakPolarHBondContact O-CB 3.11Å; L222-R226 PolarHBondContact O-N 3.42Å; V223-R226 WeakPolarHBondContact O-CB 3.35Å; V223-R226 PolarHBondContact O-N 2.78Å; R226-L229 PolarHBondContact O-N 3.07Å; R226-Q230 WeakPolarHBondContact O-CB 3.23Å; R226-Q230 WeakPolarHBondContact O-CG 3Å; R226-Q230 PolarHBondContact O-N 3.32Å
227E46Very low41.8Very low93 Ų9393.6 Ų93.644%0.43546%0.46SS..Hα-helixtrans-66.3-43.2-179.7-74.4176.4175.600111.8V223 Y224 I225 L229 Q230 V231V223-E227 HydrophobicContact CG1-CG 4.21Å; V223-E227 WeakPolarHBondContact CG1-OE1 3.47Å; V223-E227 WeakPolarHBondContact O-CB 3.32Å; V223-E227 VanDerWaalsContact O-CG 3.28Å; V223-E227 WeakPolarHBondContact O-CG 3.22Å; V223-E227 PolarHBondContact O-N 3.07Å; Y224-E227 PolarHBondContact O-N 2.93Å; I225-E227 PolarHBondContact O-N 3.15Å; E227-L229 VanDerWaalsContact C-N 3.35Å; E227-L229 PolarHBondContact O-N 3.11Å; E227-Q230 CarbonylContact O-C 3.58Å; E227-Q230 PolarHBondContact O-N 3.15Å; E227-V231 WeakPolarHBondContact O-CB 3.31Å; E227-V231 VanDerWaalsContact O-CG2 3.28Å; E227-V231 WeakPolarHBondContact O-CG2 3.29Å; E227-V231 PolarHBondContact O-N 2.98Å
228Y41.4Very low41.8Very low98 Ų9896.2 Ų96.238%0.38447%0.472SS..Hα-helixtrans-60.7-45.3174.6-178.2-93.2000110.8Y224 I225 Q230 V231 V232Y224-Y228 WeakPolarHBondContact O-CB 3.3Å; Y224-Y228 PolarHBondContact O-N 2.87Å; I225-Y228 PolarHBondContact O-N 3.44Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.38Å; Y228-V231 PolarHBondContact O-N 3.39Å; Y228-V232 HydrophobicContact CD1-CG2 4.14Å; Y228-V232 HydrophobicContact CD2-CG2 4.11Å; Y228-V232 HydrophobicContact CE1-CB 4.42Å; Y228-V232 HydrophobicContact CE1-CG2 3.8Å; Y228-V232 HydrophobicContact CE2-CG2 3.77Å; Y228-V232 HydrophobicContact CG-CG2 4.29Å; Y228-V232 WeakPolarHBondContact O-CB 3.48Å; Y228-V232 WeakPolarHBondContact O-CG2 3.25Å; Y228-V232 PolarHBondContact O-N 2.8Å
229L42Very low41.6Very low33 Ų3398.1 Ų98.117%0.17348%0.478CS..Hα-helixtrans-62.6-38.9174.8-69.9172.8000111.4I225 R226 E227 F233I225-L229 HydrophobicContact CG2-CD1 3.84Å; I225-L229 HydrophobicContact CG2-CG 4.39Å; I225-L229 VanDerWaalsContact O-CB 3.29Å; I225-L229 WeakPolarHBondContact O-CB 3.25Å; I225-L229 WeakPolarHBondContact O-CG 3.06Å; I225-L229 PolarHBondContact O-N 2.83Å; R226-L229 PolarHBondContact O-N 3.07Å; E227-L229 VanDerWaalsContact C-N 3.35Å; E227-L229 PolarHBondContact O-N 3.11Å; L229-F233 HydrophobicContact CD2-CD2 3.9Å; L229-F233 HydrophobicContact CD2-CE2 3.97Å; L229-F233 CarbonylContact O-C 3.6Å; L229-F233 VanDerWaalsContact O-CA 3.25Å; L229-F233 WeakPolarHBondContact O-CA 3.12Å; L229-F233 VanDerWaalsContact O-CB 3.23Å; L229-F233 WeakPolarHBondContact O-CB 3.23Å; L229-F233 PolarHBondContact O-N 3.39Å
230Q43.5Very low41.4Very low81 Ų8196.2 Ų96.238%0.37947%0.472SS..Hα-helixtrans-68.8-33.9175.9-75.1173.1-22.600113.3R226 E227 Y228 P234R226-Q230 WeakPolarHBondContact O-CB 3.23Å; R226-Q230 WeakPolarHBondContact O-CG 3Å; R226-Q230 PolarHBondContact O-N 3.32Å; E227-Q230 CarbonylContact O-C 3.58Å; E227-Q230 PolarHBondContact O-N 3.15Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.38Å; Q230-P234 VanDerWaalsContact O-CA 3.25Å; Q230-P234 WeakPolarHBondContact O-CA 3.5Å
231V38.5Very low41.1Very low118 Ų11894.2 Ų94.272%0.71547%0.467SS*.Hα-helixtrans-79.3-43.1179.4171.40000111.5E227 Y228E227-V231 WeakPolarHBondContact O-CB 3.31Å; E227-V231 VanDerWaalsContact O-CG2 3.28Å; E227-V231 WeakPolarHBondContact O-CG2 3.29Å; E227-V231 PolarHBondContact O-N 2.98Å; Y228-V231 PolarHBondContact O-N 3.39Å
232V33.9Very low40.7Very low67 Ų6798.4 Ų98.441%0.40649%0.485SS..Hα-helixtrans-79.7-29.5-179.7-178.30000111.4Y228Y228-V232 HydrophobicContact CD1-CG2 4.14Å; Y228-V232 HydrophobicContact CD2-CG2 4.11Å; Y228-V232 HydrophobicContact CE1-CB 4.42Å; Y228-V232 HydrophobicContact CE1-CG2 3.8Å; Y228-V232 HydrophobicContact CE2-CG2 3.77Å; Y228-V232 HydrophobicContact CG-CG2 4.29Å; Y228-V232 WeakPolarHBondContact O-CB 3.48Å; Y228-V232 WeakPolarHBondContact O-CG2 3.25Å; Y228-V232 PolarHBondContact O-N 2.8Å
233F36.5Very low40.3Very low59 Ų5998.3 Ų98.326%0.25948%0.482SS..  trans-129.772.7-179.6-49.1-78.7000111.2F152 L229 L235 I236F152-F233 HydrophobicContact CD1-CE2 4.24Å; F152-F233 HydrophobicContact CD1-CZ 4.2Å; L229-F233 HydrophobicContact CD2-CD2 3.9Å; L229-F233 HydrophobicContact CD2-CE2 3.97Å; L229-F233 CarbonylContact O-C 3.6Å; L229-F233 VanDerWaalsContact O-CA 3.25Å; L229-F233 WeakPolarHBondContact O-CA 3.12Å; L229-F233 VanDerWaalsContact O-CB 3.23Å; L229-F233 WeakPolarHBondContact O-CB 3.23Å; L229-F233 PolarHBondContact O-N 3.39Å; F233-L235 PolarHBondContact O-N 3.13Å; F233-I236 HydrophobicContact CB-CD1 4.08Å; F233-I236 HydrophobicContact CB-CG1 4.39Å; F233-I236 PolarHBondContact O-N 3.02Å; F233-I236 VanDerWaalsContact O-N 3.17Å
234P39.7Very low39.7Very low93 Ų93100.7 Ų100.760%0.60449%0.488SS*.THydrogen-bonded Turntrans-63.3-7.1-172.921.9-31.9000115.8Q230 I236Q230-P234 VanDerWaalsContact O-CA 3.25Å; Q230-P234 WeakPolarHBondContact O-CA 3.5Å; P234-I236 VanDerWaalsContact C-N 3.29Å
235L34.2Very low39.3Very low166 Ų16698.2 Ų98.287%0.86949%0.486SS*.THydrogen-bonded Turntrans-81.3-4.3177.3-69.1169000113.8F233 Q237F233-L235 PolarHBondContact O-N 3.13Å; L235-Q237 PolarHBondContact O-N 3.35Å
236I29.1Very low38.5Very low62 Ų62105.3 Ų105.332%0.31852%0.52SS..  trans-92.176.9172.3-49.5174.9000108.3Q155 F233 P234Q155-I236 HydrophobicContact CB-CD1 3.92Å; Q155-I236 HydrophobicContact CG-CD1 4.11Å; F233-I236 HydrophobicContact CB-CD1 4.08Å; F233-I236 HydrophobicContact CB-CG1 4.39Å; F233-I236 PolarHBondContact O-N 3.02Å; F233-I236 VanDerWaalsContact O-N 3.17Å; P234-I236 VanDerWaalsContact C-N 3.29Å
237Q32.1Very low37.9Very low244 Ų244101.3 Ų101.3100%1.1452%0.516SS*.  trans-122.90162.3-74.5-169-11.100108.4L235L235-Q237 PolarHBondContact O-N 3.35Å

Retrieved 237 of 237 residues in 181.8 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).