A0A077ZNI5_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZNI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.7Confident89.5Confident135 Ų13575.5 Ų75.567%0.66538%0.38SS*.  0106.10-171.7174.378.800107.3D5 F6 F31M1-D5 WeakPolarHBondContact CA-OD2 3.49Å; M1-D5 HydrophobicContact CG-CB 4Å; M1-F6 HydrophobicContact CE-CB 4.47Å; M1-F6 HydrophobicContact SD-CB 4.43Å; M1-F31 HydrophobicContact CE-CE1 4.03Å; M1-F31 HydrophobicContact CE-CZ 3.93Å
2T92.2Very high89.8Confident73 Ų7381.3 Ų81.345%0.44839%0.394SS..  trans-80171.7173.8670000110.1E4 D5 F6T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 PolarHBondContact O-N 3.42Å; T2-E4 PolarHBondContact OG1-N 3.14Å; T2-D5 PolarHBondContact N-OD2 3.34Å; T2-D5 PolarHBondContact O-N 2.88Å; T2-D5 PolarHBondContact OG1-N 3.29Å; T2-D5 PolarHBondContact OG1-OD2 3.49Å; T2-F6 PolarHBondContact O-N 2.77Å
3T90.5Very high89.9Confident43 Ų4381.8 Ų81.826%0.26439%0.393SS..Hα-helixtrans-60.4-39171-54.20000111.1F6 I7 A33 A34T3-F6 PolarHBondContact O-N 3.46Å; T3-I7 HydrophobicContact CG2-CD1 4.01Å; T3-I7 WeakPolarHBondContact O-CG1 3.17Å; T3-I7 PolarHBondContact O-N 2.95Å; T3-A33 HydrophobicContact CG2-CB 3.86Å; T3-A34 HydrophobicContact CG2-CB 3.92Å
4E90.9Very high89.9Confident137 Ų13779.1 Ų79.164%0.6438%0.381SS*.Hα-helixtrans-64.7-45.5178.1-169.2-178.5-177.200112.1T2 F6 I7 M8T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 PolarHBondContact O-N 3.42Å; T2-E4 PolarHBondContact OG1-N 3.14Å; E4-F6 PolarHBondContact O-N 3.22Å; E4-I7 PolarHBondContact O-N 2.75Å; E4-I7 VanDerWaalsContact O-N 3.16Å; E4-M8 HydrophobicContact CG-CE 4.25Å; E4-M8 WeakPolarHBondContact O-CG 3.37Å; E4-M8 PolarHBondContact O-N 2.72Å
5D92.3Very high90Very high68 Ų6881.2 Ų81.236%0.36441%0.407SS..Hα-helixtrans-54.9-44.1174.9-67.1-29.4000111.2M1 T2 A9M1-D5 WeakPolarHBondContact CA-OD2 3.49Å; M1-D5 HydrophobicContact CG-CB 4Å; T2-D5 PolarHBondContact N-OD2 3.34Å; T2-D5 PolarHBondContact O-N 2.88Å; T2-D5 PolarHBondContact OG1-N 3.29Å; T2-D5 PolarHBondContact OG1-OD2 3.49Å; D5-A9 WeakPolarHBondContact O-CB 2.96Å; D5-A9 PolarHBondContact O-N 2.76Å
6F91.2Very high90Very high30 Ų3086.2 Ų86.213%0.13242%0.419CS..Hα-helixtrans-66.8-45.2178.9172.1-96.5000111.7M1 T2 T3 E4 M8 A9 L10 F31 A34 W61M1-F6 HydrophobicContact CE-CB 4.47Å; M1-F6 HydrophobicContact SD-CB 4.43Å; T2-F6 PolarHBondContact O-N 2.77Å; T3-F6 PolarHBondContact O-N 3.46Å; E4-F6 PolarHBondContact O-N 3.22Å; F6-M8 VanDerWaalsContact C-N 3.31Å; F6-M8 PolarHBondContact O-N 3.45Å; F6-A9 WeakPolarHBondContact O-CB 3.06Å; F6-A9 PolarHBondContact O-N 3.37Å; F6-A9 VanDerWaalsContact O-N 3.15Å; F6-L10 HydrophobicContact CE1-CB 4.28Å; F6-L10 HydrophobicContact CE1-CD2 3.96Å; F6-L10 HydrophobicContact CZ-CB 4.28Å; F6-L10 HydrophobicContact CZ-CD1 4.44Å; F6-L10 HydrophobicContact CZ-CD2 4.18Å; F6-L10 WeakPolarHBondContact O-CB 3.33Å; F6-L10 PolarHBondContact O-N 3.38Å; F6-F31 HydrophobicContact CD1-CD1 4.3Å; F6-F31 AromaticContact CD2-CD1 3.79Å; F6-F31 HydrophobicContact CD2-CD1 3.79Å; F6-F31 AromaticContact CD2-CE1 3.4Å; F6-F31 HydrophobicContact CD2-CE1 3.4Å; F6-F31 VanDerWaalsContact CD2-CE1 3.4Å; F6-F31 HydrophobicContact CE1-CD1 4.18Å; F6-F31 AromaticContact CE2-CD1 3.61Å; F6-F31 HydrophobicContact CE2-CD1 3.61Å; F6-F31 AromaticContact CE2-CE1 3.32Å; F6-F31 HydrophobicContact CE2-CE1 3.32Å; F6-F31 HydrophobicContact CG-CD1 4.11Å; F6-F31 HydrophobicContact CG-CE1 4.12Å; F6-F31 AromaticContact CZ-CD1 3.8Å; F6-F31 HydrophobicContact CZ-CD1 3.8Å; F6-F31 AromaticContact CZ-CE1 4Å; F6-F31 HydrophobicContact CZ-CE1 4Å; F6-A34 HydrophobicContact CD1-CB 3.53Å; F6-A34 HydrophobicContact CE1-CB 3.76Å; F6-W61 HydrophobicContact CD1-CH2 4.4Å; F6-W61 AromaticContact CE1-CH2 3.4Å; F6-W61 HydrophobicContact CE1-CH2 3.4Å; F6-W61 HydrophobicContact CE1-CZ2 4.07Å; F6-W61 HydrophobicContact CE1-CZ3 4.31Å; F6-W61 AromaticContact CZ-CH2 3.76Å; F6-W61 HydrophobicContact CZ-CH2 3.76Å; F6-W61 AromaticContact CZ-CZ2 4Å; F6-W61 HydrophobicContact CZ-CZ2 4Å
7I89.5Confident90Very high45 Ų4586.5 Ų86.523%0.23142%0.415CS..Hα-helixtrans-60.3-42.9177.5-70.3168.4000110.3T3 E4 A9 L10 R11 A34 E37T3-I7 HydrophobicContact CG2-CD1 4.01Å; T3-I7 WeakPolarHBondContact O-CG1 3.17Å; T3-I7 PolarHBondContact O-N 2.95Å; E4-I7 PolarHBondContact O-N 2.75Å; E4-I7 VanDerWaalsContact O-N 3.16Å; I7-A9 PolarHBondContact O-N 3.19Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-R11 HydrophobicContact CG2-CG 4.48Å; I7-R11 VanDerWaalsContact O-CG 3.3Å; I7-R11 WeakPolarHBondContact O-CG 3.43Å; I7-R11 PolarHBondContact O-N 3.22Å; I7-A34 HydrophobicContact CD1-CB 4.47Å; I7-A34 HydrophobicContact CG1-CB 4.11Å; I7-E37 HydrophobicContact CD1-CB 4.4Å; I7-E37 HydrophobicContact CD1-CG 4.16Å
8M90.7Very high89.9Confident63 Ų6383.8 Ų83.831%0.3141%0.414SS..Hα-helixtrans-61-44.6174-71.8-168.8-76.300112E4 F6 L10 R11 R12E4-M8 HydrophobicContact CG-CE 4.25Å; E4-M8 WeakPolarHBondContact O-CG 3.37Å; E4-M8 PolarHBondContact O-N 2.72Å; F6-M8 VanDerWaalsContact C-N 3.31Å; F6-M8 PolarHBondContact O-N 3.45Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-L10 PolarHBondContact O-N 3.12Å; M8-R11 PolarHBondContact O-N 3.14Å; M8-R12 WeakPolarHBondContact O-CG 3.15Å; M8-R12 PolarHBondContact O-N 3.21Å
9A92.5Very high89.7Confident45 Ų4584.3 Ų84.337%0.37241%0.413SS..Hα-helixtrans-62.5-40.5176.300000112.1D5 F6 I7 R12 F13D5-A9 WeakPolarHBondContact O-CB 2.96Å; D5-A9 PolarHBondContact O-N 2.76Å; F6-A9 WeakPolarHBondContact O-CB 3.06Å; F6-A9 PolarHBondContact O-N 3.37Å; F6-A9 VanDerWaalsContact O-N 3.15Å; I7-A9 PolarHBondContact O-N 3.19Å; A9-R12 PolarHBondContact O-N 3.13Å; A9-F13 PolarHBondContact O-N 2.92Å
10L90.2Very high89.7Confident22 Ų2281.5 Ų81.512%0.11540%0.402CS..Hα-helixtrans-65.2-42.5177-175.163.5000111.5F6 I7 M8 F13 M14 I38F6-L10 HydrophobicContact CE1-CB 4.28Å; F6-L10 HydrophobicContact CE1-CD2 3.96Å; F6-L10 HydrophobicContact CZ-CB 4.28Å; F6-L10 HydrophobicContact CZ-CD1 4.44Å; F6-L10 HydrophobicContact CZ-CD2 4.18Å; F6-L10 WeakPolarHBondContact O-CB 3.33Å; F6-L10 PolarHBondContact O-N 3.38Å; I7-L10 PolarHBondContact O-N 3.42Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-L10 PolarHBondContact O-N 3.12Å; L10-F13 WeakPolarHBondContact O-CB 3.33Å; L10-F13 PolarHBondContact O-N 3.48Å; L10-F13 VanDerWaalsContact O-N 3.16Å; L10-M14 HydrophobicContact CD1-CE 3.74Å; L10-M14 HydrophobicContact CD2-CE 3.83Å; L10-M14 HydrophobicContact CG-CE 3.64Å; L10-M14 HydrophobicContact CG-SD 4.41Å; L10-M14 WeakPolarHBondContact O-CG 3.42Å; L10-M14 PolarHBondContact O-N 3.11Å; L10-I38 HydrophobicContact CD2-CD1 3.82Å
11R89.7Confident89.5Confident170 Ų17081.8 Ų81.864%0.64242%0.417SS*.Hα-helixtrans-59.2-48.4173.1-72.8173.268.2-177.62.3111.1I7 M8 F13 M14 S15I7-R11 HydrophobicContact CG2-CG 4.48Å; I7-R11 VanDerWaalsContact O-CG 3.3Å; I7-R11 WeakPolarHBondContact O-CG 3.43Å; I7-R11 PolarHBondContact O-N 3.22Å; M8-R11 PolarHBondContact O-N 3.14Å; R11-F13 PolarHBondContact O-N 3.22Å; R11-M14 PolarHBondContact O-N 3.31Å; R11-S15 WeakPolarHBondContact O-CB 3.39Å; R11-S15 PolarHBondContact O-N 3.06Å; R11-S15 PolarHBondContact O-OG 2.66Å; R11-S15 VanDerWaalsContact O-OG 3.08Å
12R92.7Very high90.3Very high144 Ų14478 Ų7854%0.54340%0.403SS..Hα-helixtrans-59.7-34.2175-68.1179.6-160.1108.4-0.8112.5M8 A9 R16M8-R12 WeakPolarHBondContact O-CG 3.15Å; M8-R12 PolarHBondContact O-N 3.21Å; A9-R12 PolarHBondContact O-N 3.13Å; R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 VanDerWaalsContact O-CG 3.26Å; R12-R16 WeakPolarHBondContact O-CG 3.41Å; R12-R16 PolarHBondContact O-N 2.87Å; R12-R16 PolarHBondContact O-NE 2.69Å
13F91.5Very high90.2Very high88 Ų8875.5 Ų75.539%0.38639%0.386SS..Hα-helixtrans-67.5-52.5174.6174.1-95.1000111A9 L10 R11 S15 R16 R17 P20A9-F13 PolarHBondContact O-N 2.92Å; L10-F13 WeakPolarHBondContact O-CB 3.33Å; L10-F13 PolarHBondContact O-N 3.48Å; L10-F13 VanDerWaalsContact O-N 3.16Å; R11-F13 PolarHBondContact O-N 3.22Å; F13-S15 VanDerWaalsContact C-N 3.35Å; F13-S15 PolarHBondContact O-N 2.91Å; F13-R16 PolarHBondContact O-N 3.49Å; F13-R17 HydrophobicContact CD2-CG 4.11Å; F13-R17 HydrophobicContact CE1-CB 4.41Å; F13-R17 HydrophobicContact CE2-CB 4.1Å; F13-R17 HydrophobicContact CE2-CG 3.81Å; F13-R17 HydrophobicContact CZ-CB 4.04Å; F13-R17 HydrophobicContact CZ-CG 4.26Å; F13-R17 PolarHBondContact O-N 3.46Å; F13-P20 HydrophobicContact CE1-CG 4.37Å
14M89.9Confident90.3Very high45 Ų4577.3 Ų77.322%0.22239%0.391CS..Hα-helixtrans-62.4-39.6-178.7-68.5179.8-177.400112.6L10 R11 R16 G18 P20 I59L10-M14 HydrophobicContact CD1-CE 3.74Å; L10-M14 HydrophobicContact CD2-CE 3.83Å; L10-M14 HydrophobicContact CG-CE 3.64Å; L10-M14 HydrophobicContact CG-SD 4.41Å; L10-M14 WeakPolarHBondContact O-CG 3.42Å; L10-M14 PolarHBondContact O-N 3.11Å; R11-M14 PolarHBondContact O-N 3.31Å; M14-R16 PolarHBondContact O-N 2.84Å; M14-G18 WeakPolarHBondContact CA-O 3.29Å; M14-G18 CarbonylContact O-C 3.55Å; M14-G18 WeakPolarHBondContact O-CA 3.32Å; M14-G18 PolarHBondContact O-N 2.96Å; M14-P20 HydrophobicContact CE-CG 4.16Å; M14-I59 HydrophobicContact CE-CD1 3.45Å; M14-I59 VanDerWaalsContact CE-CD1 3.45Å; M14-I59 HydrophobicContact SD-CD1 4.25Å
15S91.6Very high90.4Very high110 Ų11071.2 Ų71.277%0.76936%0.364SS*.Hα-helixtrans-65.4-24.2175.8-60.90000113.4R11 F13R11-S15 WeakPolarHBondContact O-CB 3.39Å; R11-S15 PolarHBondContact O-N 3.06Å; R11-S15 PolarHBondContact O-OG 2.66Å; R11-S15 VanDerWaalsContact O-OG 3.08Å; F13-S15 VanDerWaalsContact C-N 3.35Å; F13-S15 PolarHBondContact O-N 2.91Å
16R90.3Very high90.4Very high161 Ų16170.7 Ų70.761%0.60836%0.361SS*.Hα-helixtrans-94.8-35.2179.5-71.9-176.4-62.4154.71.8113.7R12 F13 M14R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 VanDerWaalsContact O-CG 3.26Å; R12-R16 WeakPolarHBondContact O-CG 3.41Å; R12-R16 PolarHBondContact O-N 2.87Å; R12-R16 PolarHBondContact O-NE 2.69Å; F13-R16 PolarHBondContact O-N 3.49Å; M14-R16 PolarHBondContact O-N 2.84Å
17R90Very high90.4Very high92 Ų9271.9 Ų71.935%0.34737%0.368SS..Hα-helixtrans-115.8-4.3-169.3-61.3-58.9-167.7157.1-0.7113.9F13 E108 L135F13-R17 HydrophobicContact CD2-CG 4.11Å; F13-R17 HydrophobicContact CE1-CB 4.41Å; F13-R17 HydrophobicContact CE2-CB 4.1Å; F13-R17 HydrophobicContact CE2-CG 3.81Å; F13-R17 HydrophobicContact CZ-CB 4.04Å; F13-R17 HydrophobicContact CZ-CG 4.26Å; F13-R17 PolarHBondContact O-N 3.46Å; R17-E108 IonicContact CZ-OE1 3.58Å; R17-E108 IonicContact NH2-OE1 2.67Å; R17-E108 PolarHBondContact NH2-OE1 3.25Å; R17-L135 PolarHBondContact NH1-O 2.82Å
18G88.4Confident90.5Very high38 Ų3875.1 Ų75.139%0.39238%0.381SS..  trans82.7171.9-16900000112.4M14M14-G18 WeakPolarHBondContact CA-O 3.29Å; M14-G18 CarbonylContact O-C 3.55Å; M14-G18 WeakPolarHBondContact O-CA 3.32Å; M14-G18 PolarHBondContact O-N 2.96Å
19K86.4Confident90.6Very high92 Ų9282.7 Ų82.740%0.441%0.406SS..  trans-75.1122.5-179.6-179177.7166.6-173.50109.8D57 I59K19-D57 WeakPolarHBondContact CE-O 3.46Å; K19-D57 PolarHBondContact NZ-O 2.78Å; K19-D57 IonicContact NZ-OD1 3.04Å; K19-D57 IonicContact NZ-OD2 3.69Å; K19-D57 PolarHBondContact NZ-OD2 3.38Å; K19-I59 HydrophobicContact CD-CD1 4.12Å; K19-I59 HydrophobicContact CD-CG1 4.21Å; K19-I59 VanDerWaalsContact CE-CG1 3.4Å; K19-I59 HydrophobicContact CG-CD1 3.58Å; K19-I59 HydrophobicContact CG-CG1 3.87Å
20P88.8Confident90.6Very high29 Ų2980.9 Ų80.919%0.18839%0.391CS..  trans-72.3147.1174.630.8-34.3000110.6F13 M14 R23 I59F13-P20 HydrophobicContact CE1-CG 4.37Å; M14-P20 HydrophobicContact CE-CG 4.16Å; P20-R23 HydrophobicContact CG-CG 4.13Å; P20-I59 HydrophobicContact CG-CG2 4.23Å; P20-I59 WeakPolarHBondContact O-CG1 3.28Å; P20-I59 VanDerWaalsContact O-CG2 3.31Å; P20-I59 WeakPolarHBondContact O-CG2 3.31Å
21A86.6Confident90.7Very high87 Ų8781.5 Ų81.572%0.71939%0.393SS*.SBendtrans-69.9-37.6170.300000111.9I59 E60A21-I59 WeakPolarHBondContact O-CA 3.47Å; A21-E60 PolarHBondContact O-N 2.89Å
22C89.9Confident90.8Very high56 Ų5676.8 Ų76.838%0.37838%0.377SS..EExtended strand (participates in β ladder)trans-136.2141.6-179.1169.60000111E60 L62C22-E60 CarbonylContact C-O 3.43Å; C22-E60 WeakPolarHBondContact CA-O 3.39Å; C22-E60 HydrophobicContact CB-CB 4.41Å; C22-L62 WeakPolarHBondContact SG-CD1 3.45Å
23R89.8Confident90.8Very high20 Ų2071.6 Ų71.68%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-111.6137.9169.7-66.1176-59-104.1-14.8109.1P20 I59 E60 W61 L62P20-R23 HydrophobicContact CG-CG 4.13Å; R23-I59 HydrophobicContact CG-CG2 3.72Å; R23-I59 PolarHBondContact NH2-O 3.32Å; R23-E60 PolarHBondContact N-O 2.94Å; R23-W61 HydrophobicContact CB-CD2 4.31Å; R23-W61 HydrophobicContact CB-CG 4.22Å; R23-W61 CarbonylContact O-C 3.29Å; R23-W61 WeakPolarHBondContact O-CA 3.17Å; R23-L62 PolarHBondContact O-N 2.98Å
24Q92.5Very high90.8Very high81 Ų8167.4 Ų67.438%0.37935%0.346SS..EExtended strand (participates in β ladder)trans-122.4133.4172.5-164.7171.513.600110.5L62 Y74 W75Q24-L62 VanDerWaalsContact CA-O 3.29Å; Q24-L62 WeakPolarHBondContact CA-O 3.29Å; Q24-L62 HydrophobicContact CB-CB 4.42Å; Q24-L62 HydrophobicContact CG-CB 4.13Å; Q24-Y74 PolarHBondContact OE1-OH 2.99Å; Q24-W75 HydrophobicContact CG-CH2 4.17Å; Q24-W75 HydrophobicContact CG-CZ3 3.92Å
25S93.3Very high90.9Very high9 Ų965.9 Ų65.96%0.06334%0.339CS..EExtended strand (participates in β ladder)trans-145.1171.3176.873.50000112.6W61 L62 F63 I64S25-W61 PolarHBondContact OG-NE1 3.21Å; S25-L62 PolarHBondContact N-O 3.43Å; S25-F63 WeakPolarHBondContact OG-CD1 3.09Å; S25-F63 VanDerWaalsContact OG-CE1 3.26Å; S25-F63 WeakPolarHBondContact OG-CE1 3.4Å; S25-I64 PolarHBondContact O-N 3.02Å
26D92.9Very high90.8Very high58 Ų5865.6 Ų65.631%0.3133%0.326SS..  trans-76.1175.5164.168.125.8000111.5F28 F31 F63 I64D26-F28 PolarHBondContact O-N 3.44Å; D26-F28 WeakPolarHBondContact OD1-CB 3.47Å; D26-F28 PolarHBondContact OD1-N 3.29Å; D26-F31 WeakPolarHBondContact OD1-CD2 3.19Å; D26-F31 VanDerWaalsContact OD1-CE2 3.23Å; D26-F31 WeakPolarHBondContact OD1-CE2 3.42Å; D26-F63 VanDerWaalsContact O-CD1 3.25Å; D26-F63 WeakPolarHBondContact O-CD1 3.3Å; D26-I64 HydrophobicContact CB-CD1 3.66Å; D26-I64 HydrophobicContact CB-CG1 4.31Å
27N92.2Very high90.7Very high54 Ų5461.5 Ų61.529%0.28931%0.313SS..  trans-8222.5-179.1-68.4-68.2000113.7K32 F63 I64N27-K32 WeakPolarHBondContact OD1-CE 3.41Å; N27-K32 PolarHBondContact OD1-NZ 3.02Å; N27-F63 WeakPolarHBondContact OD1-CB 3.11Å; N27-I64 PolarHBondContact ND2-O 3.38Å
28F90.4Very high90.3Very high114 Ų11458.2 Ų58.250%0.530%0.302SS..  trans-63144.9178.7-166.9-112.6000111.3D26 S30 F31 K32D26-F28 PolarHBondContact O-N 3.44Å; D26-F28 WeakPolarHBondContact OD1-CB 3.47Å; D26-F28 PolarHBondContact OD1-N 3.29Å; F28-S30 VanDerWaalsContact C-N 3.28Å; F28-S30 VanDerWaalsContact CD1-OG 3.23Å; F28-S30 WeakPolarHBondContact CD1-OG 3.48Å; F28-S30 PolarHBondContact O-N 3.08Å; F28-F31 HydrophobicContact CB-CD2 3.76Å; F28-F31 HydrophobicContact CB-CE2 4.07Å; F28-F31 PolarHBondContact O-N 3.29Å; F28-K32 PolarHBondContact O-N 3.39Å
29R93.1Very high90Very high221 Ų22162.1 Ų62.183%0.83431%0.308SS*.Hα-helixtrans-58.8-37.4-169.5-66.2-175-180-152.30.5112.9F31 K32 A33R29-F31 VanDerWaalsContact C-N 3.32Å; R29-F31 PolarHBondContact O-N 3.45Å; R29-K32 PolarHBondContact O-N 3.18Å; R29-A33 WeakPolarHBondContact O-CB 3.43Å; R29-A33 PolarHBondContact O-N 2.93Å
30S92.2Very high89.9Confident7 Ų765.2 Ų65.25%0.04932%0.318CS..Hα-helixtrans-66.3-32.7179.466.90000112.9F28 A34F28-S30 VanDerWaalsContact C-N 3.28Å; F28-S30 VanDerWaalsContact CD1-OG 3.23Å; F28-S30 WeakPolarHBondContact CD1-OG 3.48Å; F28-S30 PolarHBondContact O-N 3.08Å; S30-A34 VanDerWaalsContact O-CB 3.27Å; S30-A34 WeakPolarHBondContact O-CB 3.44Å; S30-A34 PolarHBondContact O-N 2.78Å
31F92.1Very high89.3Confident35 Ų3568.7 Ų68.715%0.15433%0.334CS..Hα-helixtrans-72.6-41.5176.4-63.1-51000111.5M1 F6 D26 F28 R29 A34 D35 W61 F63M1-F31 HydrophobicContact CE-CE1 4.03Å; M1-F31 HydrophobicContact CE-CZ 3.93Å; F6-F31 HydrophobicContact CD1-CD1 4.3Å; F6-F31 AromaticContact CD2-CD1 3.79Å; F6-F31 HydrophobicContact CD2-CD1 3.79Å; F6-F31 AromaticContact CD2-CE1 3.4Å; F6-F31 HydrophobicContact CD2-CE1 3.4Å; F6-F31 VanDerWaalsContact CD2-CE1 3.4Å; F6-F31 HydrophobicContact CE1-CD1 4.18Å; F6-F31 AromaticContact CE2-CD1 3.61Å; F6-F31 HydrophobicContact CE2-CD1 3.61Å; F6-F31 AromaticContact CE2-CE1 3.32Å; F6-F31 HydrophobicContact CE2-CE1 3.32Å; F6-F31 HydrophobicContact CG-CD1 4.11Å; F6-F31 HydrophobicContact CG-CE1 4.12Å; F6-F31 AromaticContact CZ-CD1 3.8Å; F6-F31 HydrophobicContact CZ-CD1 3.8Å; F6-F31 AromaticContact CZ-CE1 4Å; F6-F31 HydrophobicContact CZ-CE1 4Å; D26-F31 WeakPolarHBondContact OD1-CD2 3.19Å; D26-F31 VanDerWaalsContact OD1-CE2 3.23Å; D26-F31 WeakPolarHBondContact OD1-CE2 3.42Å; F28-F31 HydrophobicContact CB-CD2 3.76Å; F28-F31 HydrophobicContact CB-CE2 4.07Å; F28-F31 PolarHBondContact O-N 3.29Å; R29-F31 VanDerWaalsContact C-N 3.32Å; R29-F31 PolarHBondContact O-N 3.45Å; F31-A34 PolarHBondContact O-N 2.76Å; F31-D35 PolarHBondContact O-N 3.03Å; F31-W61 HydrophobicContact CB-CH2 4.41Å; F31-W61 HydrophobicContact CB-CZ2 3.78Å; F31-W61 HydrophobicContact CD1-CZ2 4.09Å; F31-W61 HydrophobicContact CG-CZ2 4.29Å; F31-W61 WeakPolarHBondContact O-CH2 3.37Å; F31-F63 HydrophobicContact CB-CE1 3.98Å
32K92.5Very high88.5Confident72 Ų7268.3 Ų68.331%0.31332%0.316SS..Hα-helixtrans-61.7-46.7174.5-68.5-72.3-179.9-174.50111.5N27 F28 R29 A34 D35 E36 F63N27-K32 WeakPolarHBondContact OD1-CE 3.41Å; N27-K32 PolarHBondContact OD1-NZ 3.02Å; F28-K32 PolarHBondContact O-N 3.39Å; R29-K32 PolarHBondContact O-N 3.18Å; K32-A34 VanDerWaalsContact C-N 3.33Å; K32-A34 PolarHBondContact O-N 2.91Å; K32-D35 WeakPolarHBondContact O-CB 3.43Å; K32-D35 PolarHBondContact O-N 3.09Å; K32-E36 WeakPolarHBondContact O-CG 3.36Å; K32-E36 PolarHBondContact O-N 3.15Å; K32-F63 HydrophobicContact CD-CD1 3.99Å; K32-F63 HydrophobicContact CD-CD2 4.37Å; K32-F63 HydrophobicContact CD-CE1 3.56Å; K32-F63 HydrophobicContact CD-CE2 3.97Å; K32-F63 HydrophobicContact CD-CG 4.37Å; K32-F63 HydrophobicContact CD-CZ 3.56Å; K32-F63 VanDerWaalsContact CE-CE1 3.47Å; K32-F63 HydrophobicContact CG-CE1 3.97Å; K32-F63 HydrophobicContact CG-CZ 4.25Å
33A92.9Very high87.7Confident34 Ų3469.7 Ų69.728%0.28133%0.332SS..Hα-helixtrans-62.3-39.117600000112.4T3 R29 E36 E37T3-A33 HydrophobicContact CG2-CB 3.86Å; R29-A33 WeakPolarHBondContact O-CB 3.43Å; R29-A33 PolarHBondContact O-N 2.93Å; A33-E36 PolarHBondContact O-N 3.37Å; A33-E37 WeakPolarHBondContact O-CB 3.35Å; A33-E37 PolarHBondContact O-N 2.67Å
34A91.7Very high86.6Confident0 Ų072.8 Ų72.80%036%0.357CS..Hα-helixtrans-67.2-36.6175.300000112.4T3 F6 I7 S30 F31 K32 E37 I38 W61T3-A34 HydrophobicContact CG2-CB 3.92Å; F6-A34 HydrophobicContact CD1-CB 3.53Å; F6-A34 HydrophobicContact CE1-CB 3.76Å; I7-A34 HydrophobicContact CD1-CB 4.47Å; I7-A34 HydrophobicContact CG1-CB 4.11Å; S30-A34 VanDerWaalsContact O-CB 3.27Å; S30-A34 WeakPolarHBondContact O-CB 3.44Å; S30-A34 PolarHBondContact O-N 2.78Å; F31-A34 PolarHBondContact O-N 2.76Å; K32-A34 VanDerWaalsContact C-N 3.33Å; K32-A34 PolarHBondContact O-N 2.91Å; A34-E37 PolarHBondContact O-N 3.04Å; A34-I38 WeakPolarHBondContact O-CB 3.48Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 2.68Å; A34-W61 HydrophobicContact CB-CH2 3.79Å; A34-W61 HydrophobicContact CB-CZ3 4.09Å
35D90.8Very high85.2Confident14 Ų1471.9 Ų71.98%0.07536%0.356CS..Hα-helixtrans-63.1-45.1174.4-175.843.1000111.4F31 K32 I38 K39 W61 F63F31-D35 PolarHBondContact O-N 3.03Å; K32-D35 WeakPolarHBondContact O-CB 3.43Å; K32-D35 PolarHBondContact O-N 3.09Å; D35-I38 PolarHBondContact O-N 3.21Å; D35-K39 WeakPolarHBondContact O-CB 3.49Å; D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.27Å; D35-K39 PolarHBondContact O-N 3.29Å; D35-K39 VanDerWaalsContact OD1-CE 3.29Å; D35-K39 WeakPolarHBondContact OD1-CE 3.2Å; D35-K39 IonicContact OD1-NZ 2.69Å; D35-K39 WeakPolarHBondContact OD2-CE 3.34Å; D35-K39 IonicContact OD2-NZ 2.87Å; D35-K39 PolarHBondContact OD2-NZ 2.98Å; D35-W61 VanDerWaalsContact CA-CZ3 3.47Å; D35-W61 HydrophobicContact CB-CD2 3.91Å; D35-W61 HydrophobicContact CB-CE3 3.42Å; D35-W61 VanDerWaalsContact CB-CE3 3.42Å; D35-W61 HydrophobicContact CB-CG 4.48Å; D35-W61 HydrophobicContact CB-CH2 4.45Å; D35-W61 HydrophobicContact CB-CZ3 3.73Å; D35-W61 WeakPolarHBondContact OD1-CB 3.38Å; D35-F63 HydrophobicContact CB-CE2 4.26Å; D35-F63 HydrophobicContact CB-CZ 4.01Å
36E90.2Very high83.2Confident104 Ų10475.8 Ų75.849%0.48638%0.384SS..Hα-helixtrans-60-45.5174.3-71.4173.4-169.400112K32 A33 K39 R40K32-E36 WeakPolarHBondContact O-CG 3.36Å; K32-E36 PolarHBondContact O-N 3.15Å; A33-E36 PolarHBondContact O-N 3.37Å; E36-K39 PolarHBondContact O-N 3.33Å; E36-R40 WeakPolarHBondContact O-CG 3.23Å; E36-R40 PolarHBondContact O-N 3.35Å
37E87.1Confident81.4Confident74 Ų7479.9 Ų79.935%0.34640%0.399SS..Hα-helixtrans-64.2-44179.9-171.663.5-174.100112.1I7 A33 A34 K39 R40 L41I7-E37 HydrophobicContact CD1-CB 4.4Å; I7-E37 HydrophobicContact CD1-CG 4.16Å; A33-E37 WeakPolarHBondContact O-CB 3.35Å; A33-E37 PolarHBondContact O-N 2.67Å; A34-E37 PolarHBondContact O-N 3.04Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.81Å; E37-R40 PolarHBondContact O-N 3.36Å; E37-R40 IonicContact OE2-NH1 3.61Å; E37-R40 PolarHBondContact OE2-NH1 3.46Å; E37-L41 WeakPolarHBondContact O-CG 3.19Å; E37-L41 PolarHBondContact O-N 2.95Å
38I82.1Confident79.8Confident23 Ų2384.5 Ų84.512%0.11842%0.424CS..Hα-helixtrans-61.7-43.4176.1-70.5173000110.5L10 A34 D35 R40 L41 F42 W61L10-I38 HydrophobicContact CD2-CD1 3.82Å; A34-I38 WeakPolarHBondContact O-CB 3.48Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 2.68Å; D35-I38 PolarHBondContact O-N 3.21Å; I38-R40 VanDerWaalsContact C-N 3.34Å; I38-R40 PolarHBondContact O-N 3.49Å; I38-L41 PolarHBondContact O-N 2.78Å; I38-F42 HydrophobicContact CG2-CD2 3.66Å; I38-F42 HydrophobicContact CG2-CE2 3.5Å; I38-F42 VanDerWaalsContact CG2-CE2 3.5Å; I38-F42 WeakPolarHBondContact O-CD2 3.4Å; I38-F42 PolarHBondContact O-N 3.45Å; I38-F42 VanDerWaalsContact O-N 3.08Å; I38-W61 HydrophobicContact CD1-CZ3 3.9Å
39K82.9Confident78.1Confident120 Ų12089.5 Ų89.552%0.52244%0.44SS..Hα-helixtrans-61.8-40.1176.7-74.7170.8-176.6166.50112.3D35 E36 E37 F42 A43D35-K39 WeakPolarHBondContact O-CB 3.49Å; D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.27Å; D35-K39 PolarHBondContact O-N 3.29Å; D35-K39 VanDerWaalsContact OD1-CE 3.29Å; D35-K39 WeakPolarHBondContact OD1-CE 3.2Å; D35-K39 IonicContact OD1-NZ 2.69Å; D35-K39 WeakPolarHBondContact OD2-CE 3.34Å; D35-K39 IonicContact OD2-NZ 2.87Å; D35-K39 PolarHBondContact OD2-NZ 2.98Å; E36-K39 PolarHBondContact O-N 3.33Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.81Å; K39-F42 PolarHBondContact O-N 2.77Å; K39-A43 WeakPolarHBondContact O-CB 3.43Å; K39-A43 PolarHBondContact O-N 3.26Å
40R83.7Confident76.3Confident158 Ų15882.1 Ų82.160%0.59642%0.419SS*.Hα-helixtrans-62-44.5175.1-73178.2-169.1148.12.4112E36 E37 I38 F42 A43 S44E36-R40 WeakPolarHBondContact O-CG 3.23Å; E36-R40 PolarHBondContact O-N 3.35Å; E37-R40 PolarHBondContact O-N 3.36Å; E37-R40 IonicContact OE2-NH1 3.61Å; E37-R40 PolarHBondContact OE2-NH1 3.46Å; I38-R40 VanDerWaalsContact C-N 3.34Å; I38-R40 PolarHBondContact O-N 3.49Å; R40-F42 VanDerWaalsContact C-N 3.34Å; R40-F42 PolarHBondContact O-N 2.98Å; R40-A43 PolarHBondContact O-N 2.87Å; R40-S44 PolarHBondContact O-N 3.4Å; R40-S44 VanDerWaalsContact O-N 3.11Å
41L75.4Confident74.4Confident101 Ų10185.7 Ų85.753%0.52944%0.435SS..Hα-helixtrans-58.1-47.4176.5-69.7171000111E37 I38 A43 S44E37-L41 WeakPolarHBondContact O-CG 3.19Å; E37-L41 PolarHBondContact O-N 2.95Å; I38-L41 PolarHBondContact O-N 2.78Å; L41-A43 PolarHBondContact O-N 2.88Å; L41-S44 PolarHBondContact O-N 2.88Å; L41-S44 PolarHBondContact O-OG 3.42Å
42F70.5Confident72.6Confident79 Ų7989.5 Ų89.535%0.34646%0.457SS..Hα-helixtrans-67.9-31.7177.5-76.2-68.7000114I38 K39 R40 S44I38-F42 HydrophobicContact CG2-CD2 3.66Å; I38-F42 HydrophobicContact CG2-CE2 3.5Å; I38-F42 VanDerWaalsContact CG2-CE2 3.5Å; I38-F42 WeakPolarHBondContact O-CD2 3.4Å; I38-F42 PolarHBondContact O-N 3.45Å; I38-F42 VanDerWaalsContact O-N 3.08Å; K39-F42 PolarHBondContact O-N 2.77Å; R40-F42 VanDerWaalsContact C-N 3.34Å; R40-F42 PolarHBondContact O-N 2.98Å; F42-S44 VanDerWaalsContact C-N 3.3Å; F42-S44 PolarHBondContact O-N 3.45Å
43A72.5Confident70.7Confident86 Ų8691.8 Ų91.871%0.71147%0.472SS*.Hα-helixtrans-68.6-29.3175.800000112.9K39 R40 L41 V45K39-A43 WeakPolarHBondContact O-CB 3.43Å; K39-A43 PolarHBondContact O-N 3.26Å; R40-A43 PolarHBondContact O-N 2.87Å; L41-A43 PolarHBondContact O-N 2.88Å; A43-V45 VanDerWaalsContact C-N 3.34Å
44S67.4Low68.7Low84 Ų8492.1 Ų92.159%0.58747%0.469SS*.THydrogen-bonded Turntrans-78.7-12.3-18069.70000114.7R40 L41 F42 S46R40-S44 PolarHBondContact O-N 3.4Å; R40-S44 VanDerWaalsContact O-N 3.11Å; L41-S44 PolarHBondContact O-N 2.88Å; L41-S44 PolarHBondContact O-OG 3.42Å; F42-S44 VanDerWaalsContact C-N 3.3Å; F42-S44 PolarHBondContact O-N 3.45Å; S44-S46 PolarHBondContact O-N 3.3Å; S44-S46 VanDerWaalsContact O-N 3.12Å
45V63.9Low66.8Low62 Ų6295 Ų9538%0.37648%0.484SS..  trans-86.182.1179.2-177.80000109.3A43 F47 L54A43-V45 VanDerWaalsContact C-N 3.34Å; V45-F47 PolarHBondContact O-N 3.22Å; V45-L54 HydrophobicContact CG1-CD1 3.93Å
46S51.2Low64.9Low92 Ų92101.1 Ų101.164%0.64352%0.517SS*.  trans-85.895.4175570000110.9S44S44-S46 PolarHBondContact O-N 3.3Å; S44-S46 VanDerWaalsContact O-N 3.12Å
47F54.4Low63.4Low143 Ų143100.1 Ų100.163%0.62752%0.515SS*.  trans-143.1113.2160.3-77.3-79.4000108.7V45 R49 V50 Q51V45-F47 PolarHBondContact O-N 3.22Å; F47-R49 PolarHBondContact O-N 3.06Å; F47-V50 HydrophobicContact CB-CB 3.93Å; F47-V50 HydrophobicContact CB-CG2 3.5Å; F47-V50 HydrophobicContact CG-CG2 4.32Å; F47-V50 PolarHBondContact O-N 2.73Å; F47-Q51 PolarHBondContact O-N 2.89Å; F47-Q51 VanDerWaalsContact O-N 3.14Å
48D59.9Low62.6Low152 Ų152103.8 Ų103.881%0.81353%0.526SS*.THydrogen-bonded Turntrans-61.18.1-170-61.6-48000116.2
49R54.7Low62.3Low219 Ų219103.6 Ų103.683%0.82653%0.525SS*.THydrogen-bonded Turntrans-127.8-24.4170.9-77-178.5153.8-178-6.3113.7F47 Q51F47-R49 PolarHBondContact O-N 3.06Å; R49-Q51 VanDerWaalsContact C-N 3.3Å
50V54.5Low62.4Low65 Ų65103.5 Ų103.539%0.39453%0.526SS..Hα-helixtrans-76.8-28.5176.8-165.60000108.7F47 D52 N53 L54F47-V50 HydrophobicContact CB-CB 3.93Å; F47-V50 HydrophobicContact CB-CG2 3.5Å; F47-V50 HydrophobicContact CG-CG2 4.32Å; F47-V50 PolarHBondContact O-N 2.73Å; V50-D52 PolarHBondContact O-N 3.22Å; V50-N53 PolarHBondContact O-N 2.78Å; V50-L54 HydrophobicContact CB-CD1 4.1Å; V50-L54 HydrophobicContact CG1-CD1 3.31Å; V50-L54 HydrophobicContact CG1-CG 3.72Å; V50-L54 WeakPolarHBondContact O-CB 3.42Å; V50-L54 WeakPolarHBondContact O-CG 3.41Å; V50-L54 PolarHBondContact O-N 3.41Å
51Q52.7Low62.8Low83 Ų8397.2 Ų97.239%0.38850%0.503SS..Hα-helixtrans-64.7-34.1-179-154.2176-24.300113.8F47 R49 L54 N55F47-Q51 PolarHBondContact O-N 2.89Å; F47-Q51 VanDerWaalsContact O-N 3.14Å; R49-Q51 VanDerWaalsContact C-N 3.3Å; Q51-L54 PolarHBondContact O-N 2.76Å; Q51-N55 WeakPolarHBondContact O-CA 3.43Å; Q51-N55 WeakPolarHBondContact O-CB 3.49Å; Q51-N55 PolarHBondContact O-N 3.04Å; Q51-N55 PolarHBondContact O-ND2 3.42Å; Q51-N55 PolarHBondContact O-OD1 2.94Å
52D53.3Low63.6Low115 Ų11595.6 Ų95.662%0.61549%0.494SS*.Hα-helixtrans-70.5-40.4177.5-75.4-19000112.2V50 N56V50-D52 PolarHBondContact O-N 3.22Å; D52-N56 PolarHBondContact O-N 3.34Å
53N53Low64.7Low120 Ų12094 Ų9464%0.64249%0.487SS*.Hα-helixtrans-70.8-39.7172.8-73.6-32.6000111.5V50 N56 D57V50-N53 PolarHBondContact O-N 2.78Å; N53-N56 PolarHBondContact O-N 3.5Å; N53-D57 WeakPolarHBondContact O-CB 3.4Å; N53-D57 PolarHBondContact O-N 2.77Å
54L50.8Low65.7Low41 Ų4190.6 Ų90.622%0.21546%0.457CS..Hα-helixtrans-71-27.9177.9-75.3172.1000113.4V45 V50 Q51 D57 R58V45-L54 HydrophobicContact CG1-CD1 3.93Å; V50-L54 HydrophobicContact CB-CD1 4.1Å; V50-L54 HydrophobicContact CG1-CD1 3.31Å; V50-L54 HydrophobicContact CG1-CG 3.72Å; V50-L54 WeakPolarHBondContact O-CB 3.42Å; V50-L54 WeakPolarHBondContact O-CG 3.41Å; V50-L54 PolarHBondContact O-N 3.41Å; Q51-L54 PolarHBondContact O-N 2.76Å; L54-D57 CarbonylContact O-C 3.57Å; L54-D57 VanDerWaalsContact O-C 3.29Å; L54-D57 WeakPolarHBondContact O-CA 3.26Å; L54-D57 WeakPolarHBondContact O-CB 3.25Å; L54-D57 PolarHBondContact O-N 3.1Å; L54-D57 VanDerWaalsContact O-N 3.13Å; L54-R58 PolarHBondContact O-N 2.99Å; L54-R58 VanDerWaalsContact O-N 3.14Å
55N51.2Low66.9Low59 Ų5991.2 Ų91.232%0.31646%0.457SS..Hα-helixtrans-68.4-41.9176.1-80.3-17.1000110.7Q51 D57 R58Q51-N55 WeakPolarHBondContact O-CA 3.43Å; Q51-N55 WeakPolarHBondContact O-CB 3.49Å; Q51-N55 PolarHBondContact O-N 3.04Å; Q51-N55 PolarHBondContact O-ND2 3.42Å; Q51-N55 PolarHBondContact O-OD1 2.94Å; N55-D57 PolarHBondContact O-N 3.32Å; N55-R58 WeakPolarHBondContact O-CG 3.29Å; N55-R58 PolarHBondContact O-N 3.21Å; N55-R58 PolarHBondContact OD1-NE 2.84Å; N55-R58 PolarHBondContact OD1-NH2 3.03Å
56N52.3Low68.3Low144 Ų14492.6 Ų92.677%0.7747%0.468SS*.Hα-helixtrans-64.2-25.1169-75.1-24.3000112.4D52 N53D52-N56 PolarHBondContact O-N 3.34Å; N53-N56 PolarHBondContact O-N 3.5Å
57D58.4Low70.1Confident83 Ų8399.6 Ų99.644%0.44448%0.48SS..THydrogen-bonded Turntrans-90.27.1-179.7-111.715.5000113.7K19 N53 L54 N55 I59K19-D57 WeakPolarHBondContact CE-O 3.46Å; K19-D57 PolarHBondContact NZ-O 2.78Å; K19-D57 IonicContact NZ-OD1 3.04Å; K19-D57 IonicContact NZ-OD2 3.69Å; K19-D57 PolarHBondContact NZ-OD2 3.38Å; N53-D57 WeakPolarHBondContact O-CB 3.4Å; N53-D57 PolarHBondContact O-N 2.77Å; L54-D57 CarbonylContact O-C 3.57Å; L54-D57 VanDerWaalsContact O-C 3.29Å; L54-D57 WeakPolarHBondContact O-CA 3.26Å; L54-D57 WeakPolarHBondContact O-CB 3.25Å; L54-D57 PolarHBondContact O-N 3.1Å; L54-D57 VanDerWaalsContact O-N 3.13Å; N55-D57 PolarHBondContact O-N 3.32Å; D57-I59 PolarHBondContact O-N 3.35Å
58R69.4Low71.8Confident151 Ų15193 Ų9357%0.5745%0.452SS*.  trans-69.2122179-73.6179.2-175-154.52.2109.7L54 N55 E60L54-R58 PolarHBondContact O-N 2.99Å; L54-R58 VanDerWaalsContact O-N 3.14Å; N55-R58 WeakPolarHBondContact O-CG 3.29Å; N55-R58 PolarHBondContact O-N 3.21Å; N55-R58 PolarHBondContact OD1-NE 2.84Å; N55-R58 PolarHBondContact OD1-NH2 3.03Å; R58-E60 PolarHBondContact O-N 3.02Å
59I76.6Confident73Confident19 Ų1989.2 Ų89.210%0.09744%0.435CS..  trans-76.4110.9173.1-49.6172.4000107.6M14 K19 P20 A21 R23 D57M14-I59 HydrophobicContact CE-CD1 3.45Å; M14-I59 VanDerWaalsContact CE-CD1 3.45Å; M14-I59 HydrophobicContact SD-CD1 4.25Å; K19-I59 HydrophobicContact CD-CD1 4.12Å; K19-I59 HydrophobicContact CD-CG1 4.21Å; K19-I59 VanDerWaalsContact CE-CG1 3.4Å; K19-I59 HydrophobicContact CG-CD1 3.58Å; K19-I59 HydrophobicContact CG-CG1 3.87Å; P20-I59 HydrophobicContact CG-CG2 4.23Å; P20-I59 WeakPolarHBondContact O-CG1 3.28Å; P20-I59 VanDerWaalsContact O-CG2 3.31Å; P20-I59 WeakPolarHBondContact O-CG2 3.31Å; A21-I59 WeakPolarHBondContact O-CA 3.47Å; R23-I59 HydrophobicContact CG-CG2 3.72Å; R23-I59 PolarHBondContact NH2-O 3.32Å; D57-I59 PolarHBondContact O-N 3.35Å
60E85.1Confident74.7Confident117 Ų11787.9 Ų87.955%0.54743%0.431SS..EExtended strand (participates in β ladder)trans-64.8139.6175.3-172.9176.6-166.100110.1A21 C22 R23 R58 L62A21-E60 PolarHBondContact O-N 2.89Å; C22-E60 CarbonylContact C-O 3.43Å; C22-E60 WeakPolarHBondContact CA-O 3.39Å; C22-E60 HydrophobicContact CB-CB 4.41Å; R23-E60 PolarHBondContact N-O 2.94Å; R58-E60 PolarHBondContact O-N 3.02Å; E60-L62 HydrophobicContact CG-CD2 4.05Å; E60-L62 HydrophobicContact CG-CG 4.32Å; E60-L62 WeakPolarHBondContact OE1-CD2 3.14Å
61W90.8Very high76.3Confident26 Ų2687.4 Ų87.410%0.09843%0.427CS..EExtended strand (participates in β ladder)trans-116.4108.6172.8-155-38.7000111F6 R23 S25 F31 A34 D35 I38 F63F6-W61 HydrophobicContact CD1-CH2 4.4Å; F6-W61 AromaticContact CE1-CH2 3.4Å; F6-W61 HydrophobicContact CE1-CH2 3.4Å; F6-W61 HydrophobicContact CE1-CZ2 4.07Å; F6-W61 HydrophobicContact CE1-CZ3 4.31Å; F6-W61 AromaticContact CZ-CH2 3.76Å; F6-W61 HydrophobicContact CZ-CH2 3.76Å; F6-W61 AromaticContact CZ-CZ2 4Å; F6-W61 HydrophobicContact CZ-CZ2 4Å; R23-W61 HydrophobicContact CB-CD2 4.31Å; R23-W61 HydrophobicContact CB-CG 4.22Å; R23-W61 CarbonylContact O-C 3.29Å; R23-W61 WeakPolarHBondContact O-CA 3.17Å; S25-W61 PolarHBondContact OG-NE1 3.21Å; F31-W61 HydrophobicContact CB-CH2 4.41Å; F31-W61 HydrophobicContact CB-CZ2 3.78Å; F31-W61 HydrophobicContact CD1-CZ2 4.09Å; F31-W61 HydrophobicContact CG-CZ2 4.29Å; F31-W61 WeakPolarHBondContact O-CH2 3.37Å; A34-W61 HydrophobicContact CB-CH2 3.79Å; A34-W61 HydrophobicContact CB-CZ3 4.09Å; D35-W61 VanDerWaalsContact CA-CZ3 3.47Å; D35-W61 HydrophobicContact CB-CD2 3.91Å; D35-W61 HydrophobicContact CB-CE3 3.42Å; D35-W61 VanDerWaalsContact CB-CE3 3.42Å; D35-W61 HydrophobicContact CB-CG 4.48Å; D35-W61 HydrophobicContact CB-CH2 4.45Å; D35-W61 HydrophobicContact CB-CZ3 3.73Å; D35-W61 WeakPolarHBondContact OD1-CB 3.38Å; I38-W61 HydrophobicContact CD1-CZ3 3.9Å; W61-F63 HydrophobicContact CB-CE2 4.21Å; W61-F63 AromaticContact CD1-CD2 3.95Å; W61-F63 AromaticContact CD1-CE2 3.54Å; W61-F63 AromaticContact CD1-CZ 3.62Å; W61-F63 HydrophobicContact CD2-CE2 4.34Å; W61-F63 HydrophobicContact CD2-CZ 4.08Å; W61-F63 AromaticContact CE2-CZ 3.85Å; W61-F63 HydrophobicContact CG-CD2 4.5Å; W61-F63 AromaticContact CG-CE2 3.79Å; W61-F63 HydrophobicContact CG-CE2 3.79Å; W61-F63 AromaticContact CG-CZ 3.98Å; W61-F63 HydrophobicContact CG-CZ 3.98Å; W61-F63 HydrophobicContact CZ2-CZ 4.49Å; W61-F63 AromaticContact NE1-CE1 3.75Å; W61-F63 AromaticContact NE1-CE2 3.97Å; W61-F63 AromaticContact NE1-CZ 3.54Å
62L92.6Very high78Confident67 Ų6783.4 Ų83.435%0.35141%0.409SS..EExtended strand (participates in β ladder)trans-91.6125.9176.1-60.9-179.6000110.8C22 R23 Q24 S25 E60C22-L62 WeakPolarHBondContact SG-CD1 3.45Å; R23-L62 PolarHBondContact O-N 2.98Å; Q24-L62 VanDerWaalsContact CA-O 3.29Å; Q24-L62 WeakPolarHBondContact CA-O 3.29Å; Q24-L62 HydrophobicContact CB-CB 4.42Å; Q24-L62 HydrophobicContact CG-CB 4.13Å; S25-L62 PolarHBondContact N-O 3.43Å; E60-L62 HydrophobicContact CG-CD2 4.05Å; E60-L62 HydrophobicContact CG-CG 4.32Å; E60-L62 WeakPolarHBondContact OE1-CD2 3.14Å
63F94.1Very high79.7Confident45 Ų4579.1 Ų79.120%0.19739%0.391CS..EExtended strand (participates in β ladder)trans-106.7140171.9-68.9-88.7000109.7S25 D26 N27 F31 K32 D35 W61S25-F63 WeakPolarHBondContact OG-CD1 3.09Å; S25-F63 VanDerWaalsContact OG-CE1 3.26Å; S25-F63 WeakPolarHBondContact OG-CE1 3.4Å; D26-F63 VanDerWaalsContact O-CD1 3.25Å; D26-F63 WeakPolarHBondContact O-CD1 3.3Å; N27-F63 WeakPolarHBondContact OD1-CB 3.11Å; F31-F63 HydrophobicContact CB-CE1 3.98Å; K32-F63 HydrophobicContact CD-CD1 3.99Å; K32-F63 HydrophobicContact CD-CD2 4.37Å; K32-F63 HydrophobicContact CD-CE1 3.56Å; K32-F63 HydrophobicContact CD-CE2 3.97Å; K32-F63 HydrophobicContact CD-CG 4.37Å; K32-F63 HydrophobicContact CD-CZ 3.56Å; K32-F63 VanDerWaalsContact CE-CE1 3.47Å; K32-F63 HydrophobicContact CG-CE1 3.97Å; K32-F63 HydrophobicContact CG-CZ 4.25Å; D35-F63 HydrophobicContact CB-CE2 4.26Å; D35-F63 HydrophobicContact CB-CZ 4.01Å; W61-F63 HydrophobicContact CB-CE2 4.21Å; W61-F63 AromaticContact CD1-CD2 3.95Å; W61-F63 AromaticContact CD1-CE2 3.54Å; W61-F63 AromaticContact CD1-CZ 3.62Å; W61-F63 HydrophobicContact CD2-CE2 4.34Å; W61-F63 HydrophobicContact CD2-CZ 4.08Å; W61-F63 AromaticContact CE2-CZ 3.85Å; W61-F63 HydrophobicContact CG-CD2 4.5Å; W61-F63 AromaticContact CG-CE2 3.79Å; W61-F63 HydrophobicContact CG-CE2 3.79Å; W61-F63 AromaticContact CG-CZ 3.98Å; W61-F63 HydrophobicContact CG-CZ 3.98Å; W61-F63 HydrophobicContact CZ2-CZ 4.49Å; W61-F63 AromaticContact NE1-CE1 3.75Å; W61-F63 AromaticContact NE1-CE2 3.97Å; W61-F63 AromaticContact NE1-CZ 3.54Å
64I93.6Very high81.4Confident16 Ų1679.7 Ų79.78%0.08239%0.385CS..PPolyproline II helixtrans-62.2160.8172.866.9-174000111.2S25 D26 N27 V71 W75S25-I64 PolarHBondContact O-N 3.02Å; D26-I64 HydrophobicContact CB-CD1 3.66Å; D26-I64 HydrophobicContact CB-CG1 4.31Å; N27-I64 PolarHBondContact ND2-O 3.38Å; I64-V71 HydrophobicContact CB-CB 4.12Å; I64-V71 HydrophobicContact CB-CG1 4.04Å; I64-V71 HydrophobicContact CG2-CB 3.97Å; I64-V71 HydrophobicContact CG2-CG1 3.62Å; I64-W75 HydrophobicContact CG2-CH2 3.44Å; I64-W75 VanDerWaalsContact CG2-CH2 3.44Å; I64-W75 HydrophobicContact CG2-CZ2 4.08Å; I64-W75 HydrophobicContact CG2-CZ3 4.49Å
65T93.3Very high83.2Confident96 Ų9680.1 Ų80.159%0.58938%0.384SS*.PPolyproline II helixtrans-55.5130.5169.4-47.60000110.1R67 A68T65-R67 PolarHBondContact O-N 3.26Å; T65-A68 HydrophobicContact CG2-CB 4.46Å; T65-A68 VanDerWaalsContact O-CB 3.31Å; T65-A68 WeakPolarHBondContact O-CB 3.31Å; T65-A68 PolarHBondContact O-N 2.91Å; T65-A68 VanDerWaalsContact O-N 3.1Å
66P91.6Very high85Confident92 Ų9281.9 Ų81.960%0.59739%0.389SS*.THydrogen-bonded Turntrans-52.3140.5174.8-27.335.3000111.3A68P66-A68 PolarHBondContact O-N 3.33Å
67R89.5Confident86.9Confident239 Ų23984 Ų8490%0.90239%0.386SS*.THydrogen-bonded Turntrans61.217.5-177.9-53.7177.5175.6165.9-1.6115.2T65 P69T65-R67 PolarHBondContact O-N 3.26Å; R67-P69 WeakPolarHBondContact O-CD 3.42Å
68A91.1Very high88.4Confident4 Ų483.1 Ų83.13%0.03339%0.385CS..  trans-110.166.1174.800000113.2T65 P66 W70 V71T65-A68 HydrophobicContact CG2-CB 4.46Å; T65-A68 VanDerWaalsContact O-CB 3.31Å; T65-A68 WeakPolarHBondContact O-CB 3.31Å; T65-A68 PolarHBondContact O-N 2.91Å; T65-A68 VanDerWaalsContact O-N 3.1Å; P66-A68 PolarHBondContact O-N 3.33Å; A68-W70 HydrophobicContact CB-CD2 4.23Å; A68-W70 HydrophobicContact CB-CE3 4.41Å; A68-W70 HydrophobicContact CB-CH2 3.72Å; A68-W70 HydrophobicContact CB-CZ2 3.48Å; A68-W70 VanDerWaalsContact CB-CZ2 3.48Å; A68-W70 HydrophobicContact CB-CZ3 4.19Å; A68-W70 PolarHBondContact O-N 2.65Å; A68-W70 VanDerWaalsContact O-N 3.08Å; A68-V71 HydrophobicContact CB-CG2 3.82Å; A68-V71 PolarHBondContact O-N 2.98Å
69P85.5Confident89.5Confident72 Ų7279.9 Ų79.947%0.46838%0.378SS..THydrogen-bonded Turntrans-64.5-16.9-173.327.6-36.8000114.6R67 K76R67-P69 WeakPolarHBondContact O-CD 3.42Å; P69-K76 PolarHBondContact O-NZ 3.29Å
70W88.4Confident90.4Very high192 Ų19287.9 Ų87.973%0.72741%0.407SS*.THydrogen-bonded Turntrans-71-28.417859.288.5000112.9A68 G72 G73A68-W70 HydrophobicContact CB-CD2 4.23Å; A68-W70 HydrophobicContact CB-CE3 4.41Å; A68-W70 HydrophobicContact CB-CH2 3.72Å; A68-W70 HydrophobicContact CB-CZ2 3.48Å; A68-W70 VanDerWaalsContact CB-CZ2 3.48Å; A68-W70 HydrophobicContact CB-CZ3 4.19Å; A68-W70 PolarHBondContact O-N 2.65Å; A68-W70 VanDerWaalsContact O-N 3.08Å; W70-G72 PolarHBondContact O-N 2.98Å; W70-G73 PolarHBondContact O-N 3.37Å
71V89.6Confident90.7Very high54 Ų5484.7 Ų84.733%0.32740%0.398SS..THydrogen-bonded Turntrans-58.9-34.3178-179.60000110.7I64 A68 G73I64-V71 HydrophobicContact CB-CB 4.12Å; I64-V71 HydrophobicContact CB-CG1 4.04Å; I64-V71 HydrophobicContact CG2-CB 3.97Å; I64-V71 HydrophobicContact CG2-CG1 3.62Å; A68-V71 HydrophobicContact CB-CG2 3.82Å; A68-V71 PolarHBondContact O-N 2.98Å; V71-G73 PolarHBondContact O-N 2.92Å
72G87Confident90.8Very high0 Ų085.4 Ų85.40%041%0.405CS..THydrogen-bonded Turntrans-80.911175.500000116.3W70 Y74 W75 K76W70-G72 PolarHBondContact O-N 2.98Å; G72-Y74 PolarHBondContact O-N 3.37Å; G72-W75 PolarHBondContact O-NE1 3.29Å; G72-K76 WeakPolarHBondContact O-CD 3.41Å; G72-K76 VanDerWaalsContact O-CG 3.26Å; G72-K76 WeakPolarHBondContact O-CG 3.33Å; G72-K76 PolarHBondContact O-N 3.16Å
73G89.9Confident90.8Very high24 Ų2489 Ų8925%0.24742%0.418CS..Hα-helixtrans-58.4-35.6-176.700000113W70 V71 K76 R77W70-G73 PolarHBondContact O-N 3.37Å; V71-G73 PolarHBondContact O-N 2.92Å; G73-K76 PolarHBondContact O-N 3.43Å; G73-R77 WeakPolarHBondContact O-CG 3.27Å; G73-R77 PolarHBondContact O-N 3.08Å; G73-R77 VanDerWaalsContact O-N 3.14Å
74Y87.8Confident90.7Very high132 Ų13289.5 Ų89.552%0.51843%0.425SS..Hα-helixtrans-69.5-36-173.482.5-97.8000113.1Q24 G72 P78Q24-Y74 PolarHBondContact OE1-OH 2.99Å; G72-Y74 PolarHBondContact O-N 3.37Å; Y74-P78 WeakPolarHBondContact O-CD 3.45Å
75W89.2Confident90.5Very high50 Ų5088.9 Ų88.919%0.18942%0.422CS..Hα-helixtrans-81-27.5173.258.784.3000112.9Q24 I64 G72 R77 P78 I79Q24-W75 HydrophobicContact CG-CH2 4.17Å; Q24-W75 HydrophobicContact CG-CZ3 3.92Å; I64-W75 HydrophobicContact CG2-CH2 3.44Å; I64-W75 VanDerWaalsContact CG2-CH2 3.44Å; I64-W75 HydrophobicContact CG2-CZ2 4.08Å; I64-W75 HydrophobicContact CG2-CZ3 4.49Å; G72-W75 PolarHBondContact O-NE1 3.29Å; W75-R77 VanDerWaalsContact C-N 3.26Å; W75-R77 PolarHBondContact O-N 3.37Å; W75-P78 WeakPolarHBondContact O-CD 3.36Å; W75-I79 WeakPolarHBondContact O-CD1 3.4Å; W75-I79 VanDerWaalsContact O-CG1 3.27Å; W75-I79 WeakPolarHBondContact O-CG1 3.49Å; W75-I79 PolarHBondContact O-N 2.87Å
76K90.2Very high90.3Very high97 Ų9785.9 Ų85.942%0.42240%0.402SS..Hα-helixtrans-63.8-32.1175-72.2172.1-177.6177.50112.1P69 G72 G73 I79 R80P69-K76 PolarHBondContact O-NZ 3.29Å; G72-K76 WeakPolarHBondContact O-CD 3.41Å; G72-K76 VanDerWaalsContact O-CG 3.26Å; G72-K76 WeakPolarHBondContact O-CG 3.33Å; G72-K76 PolarHBondContact O-N 3.16Å; G73-K76 PolarHBondContact O-N 3.43Å; K76-I79 PolarHBondContact O-N 3.48Å; K76-R80 PolarHBondContact O-N 2.89Å
77R91.5Very high90.2Very high188 Ų18889.5 Ų89.571%0.70941%0.408SS*.Hα-helixtrans-64.3-52.4179-76173-177.5-175.51113.4G73 W75 I79 R80 S81G73-R77 WeakPolarHBondContact O-CG 3.27Å; G73-R77 PolarHBondContact O-N 3.08Å; G73-R77 VanDerWaalsContact O-N 3.14Å; W75-R77 VanDerWaalsContact C-N 3.26Å; W75-R77 PolarHBondContact O-N 3.37Å; R77-I79 VanDerWaalsContact C-N 3.35Å; R77-I79 PolarHBondContact O-N 2.79Å; R77-R80 WeakPolarHBondContact O-CB 3.26Å; R77-R80 PolarHBondContact O-N 3.5Å; R77-S81 PolarHBondContact O-N 2.93Å; R77-S81 PolarHBondContact O-OG 3.22Å; R77-S81 VanDerWaalsContact O-OG 3.04Å
78P90.3Very high90.1Very high64 Ų6481.4 Ų81.442%0.41638%0.38SS..Hα-helixtrans-57.6-42.7170.8-27.633.9000113.1Y74 W75 R80 S81 V82Y74-P78 WeakPolarHBondContact O-CD 3.45Å; W75-P78 WeakPolarHBondContact O-CD 3.36Å; P78-R80 VanDerWaalsContact C-N 3.29Å; P78-R80 PolarHBondContact O-N 3.16Å; P78-S81 WeakPolarHBondContact O-CA 3.3Å; P78-S81 WeakPolarHBondContact O-CB 3.5Å; P78-S81 PolarHBondContact O-N 3.15Å; P78-V82 WeakPolarHBondContact O-CG2 3.08Å; P78-V82 PolarHBondContact O-N 3.2Å
79I92.4Very high89.6Confident84 Ų8481.5 Ų81.543%0.43138%0.38SS..Hα-helixtrans-58.4-42.9177.1-67.2167.2000110.9W75 K76 R77 S81 V82 K83W75-I79 WeakPolarHBondContact O-CD1 3.4Å; W75-I79 VanDerWaalsContact O-CG1 3.27Å; W75-I79 WeakPolarHBondContact O-CG1 3.49Å; W75-I79 PolarHBondContact O-N 2.87Å; K76-I79 PolarHBondContact O-N 3.48Å; R77-I79 VanDerWaalsContact C-N 3.35Å; R77-I79 PolarHBondContact O-N 2.79Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-V82 PolarHBondContact O-N 3.08Å; I79-K83 HydrophobicContact CG2-CD 4.17Å; I79-K83 WeakPolarHBondContact O-CB 3.36Å; I79-K83 WeakPolarHBondContact O-CG 3.35Å; I79-K83 PolarHBondContact O-N 3.42Å
80R94.2Very high89.6Confident187 Ų18779.7 Ų79.771%0.70637%0.366SS*.Hα-helixtrans-60.1-44.8173.9-178.1179.7178.5174.9-0.1111.2K76 R77 P78 V82 K83 T84K76-R80 PolarHBondContact O-N 2.89Å; R77-R80 WeakPolarHBondContact O-CB 3.26Å; R77-R80 PolarHBondContact O-N 3.5Å; P78-R80 VanDerWaalsContact C-N 3.29Å; P78-R80 PolarHBondContact O-N 3.16Å; R80-V82 PolarHBondContact O-N 3.1Å; R80-K83 PolarHBondContact O-N 3.19Å; R80-T84 WeakPolarHBondContact O-CB 3.39Å; R80-T84 PolarHBondContact O-N 3.32Å; R80-T84 PolarHBondContact O-OG1 3.41Å; R80-T84 VanDerWaalsContact O-OG1 3.09Å
81S91.6Very high89.4Confident49 Ų4972.9 Ų72.934%0.34336%0.356SS..Hα-helixtrans-60.2-45.9179.8-54.20000111.8R77 P78 I79 T84 A85R77-S81 PolarHBondContact O-N 2.93Å; R77-S81 PolarHBondContact O-OG 3.22Å; R77-S81 VanDerWaalsContact O-OG 3.04Å; P78-S81 WeakPolarHBondContact O-CA 3.3Å; P78-S81 WeakPolarHBondContact O-CB 3.5Å; P78-S81 PolarHBondContact O-N 3.15Å; I79-S81 VanDerWaalsContact C-N 3.34Å; S81-T84 PolarHBondContact O-N 2.93Å; S81-A85 WeakPolarHBondContact O-CB 3.31Å; S81-A85 PolarHBondContact O-N 3.38Å
82V92.7Very high89.1Confident41 Ų4178.7 Ų78.725%0.24839%0.385CS..Hα-helixtrans-59.9-49.7174.8175.80000110.8P78 I79 R80 T84 A85 L86 F104 I107 I111P78-V82 WeakPolarHBondContact O-CG2 3.08Å; P78-V82 PolarHBondContact O-N 3.2Å; I79-V82 PolarHBondContact O-N 3.08Å; R80-V82 PolarHBondContact O-N 3.1Å; V82-T84 PolarHBondContact O-N 3.14Å; V82-A85 PolarHBondContact O-N 3.31Å; V82-L86 WeakPolarHBondContact O-CB 3.49Å; V82-L86 PolarHBondContact O-N 3.2Å; V82-F104 HydrophobicContact CG1-CD1 4.23Å; V82-F104 HydrophobicContact CG1-CE1 3.99Å; V82-I107 HydrophobicContact CG1-CG2 4.33Å; V82-I107 HydrophobicContact CG2-CG2 4.48Å; V82-I111 HydrophobicContact CB-CD1 4.24Å; V82-I111 HydrophobicContact CG2-CD1 3.43Å; V82-I111 VanDerWaalsContact CG2-CD1 3.43Å
83K92.8Very high89.1Confident142 Ų14280.3 Ų80.362%0.61740%0.398SS*.Hα-helixtrans-62.4-40.9-180-74-179.4178.4-174.10112.5I79 R80 L86 K87I79-K83 HydrophobicContact CG2-CD 4.17Å; I79-K83 WeakPolarHBondContact O-CB 3.36Å; I79-K83 WeakPolarHBondContact O-CG 3.35Å; I79-K83 PolarHBondContact O-N 3.42Å; R80-K83 PolarHBondContact O-N 3.19Å; K83-L86 PolarHBondContact O-N 3.45Å; K83-K87 WeakPolarHBondContact O-CB 3.47Å; K83-K87 PolarHBondContact O-N 3.26Å
84T91.9Very high89Confident56 Ų5687.1 Ų87.134%0.34443%0.428SS..Hα-helixtrans-65.5-45.2177.1-65.70000111.1R80 S81 V82 K87 K88R80-T84 WeakPolarHBondContact O-CB 3.39Å; R80-T84 PolarHBondContact O-N 3.32Å; R80-T84 PolarHBondContact O-OG1 3.41Å; R80-T84 VanDerWaalsContact O-OG1 3.09Å; S81-T84 PolarHBondContact O-N 2.93Å; V82-T84 PolarHBondContact O-N 3.14Å; T84-K87 PolarHBondContact O-N 3.28Å; T84-K88 HydrophobicContact CG2-CD 4.36Å; T84-K88 WeakPolarHBondContact O-CB 2.85Å; T84-K88 WeakPolarHBondContact O-CG 3.41Å; T84-K88 PolarHBondContact O-N 3.28Å
85A89.8Confident88.9Confident3 Ų382.8 Ų82.83%0.02542%0.415CS..Hα-helixtrans-60.5-46.217500000111.2S81 V82 K87 K88 V89 I107 L174S81-A85 WeakPolarHBondContact O-CB 3.31Å; S81-A85 PolarHBondContact O-N 3.38Å; V82-A85 PolarHBondContact O-N 3.31Å; A85-K87 PolarHBondContact O-N 2.99Å; A85-K88 WeakPolarHBondContact O-CB 3.4Å; A85-K88 PolarHBondContact O-N 3.36Å; A85-V89 WeakPolarHBondContact O-CB 3.27Å; A85-V89 VanDerWaalsContact O-CG2 3.26Å; A85-V89 WeakPolarHBondContact O-CG2 3.23Å; A85-V89 PolarHBondContact O-N 2.84Å; A85-I107 HydrophobicContact CB-CD1 4.08Å; A85-I107 HydrophobicContact CB-CG1 4.12Å; A85-I107 HydrophobicContact CB-CG2 3.81Å; A85-L174 HydrophobicContact CB-CD1 4.08Å
86L89.4Confident89Confident33 Ų3384.6 Ų84.617%0.17343%0.428CS..Hα-helixtrans-62.4-46.5179.2-169.869.3000112.1V82 K83 K88 V89 L90 L100 F104 I107V82-L86 WeakPolarHBondContact O-CB 3.49Å; V82-L86 PolarHBondContact O-N 3.2Å; K83-L86 PolarHBondContact O-N 3.45Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.2Å; L86-V89 PolarHBondContact O-N 3.45Å; L86-L90 HydrophobicContact CD1-CD1 3.6Å; L86-L90 HydrophobicContact CD1-CG 3.93Å; L86-L90 HydrophobicContact CD2-CD1 4.31Å; L86-L90 HydrophobicContact CG-CD1 3.72Å; L86-L90 HydrophobicContact CG-CG 4.25Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.37Å; L86-L100 HydrophobicContact CD1-CD1 4.05Å; L86-F104 HydrophobicContact CD2-CE1 4.08Å; L86-F104 HydrophobicContact CD2-CZ 3.81Å; L86-I107 HydrophobicContact CB-CD1 4.25Å; L86-I107 HydrophobicContact CD1-CD1 4.09Å
87K89Confident89Confident168 Ų16887.3 Ų87.373%0.7344%0.443SS*.Hα-helixtrans-59.9-41.9177-177.4177-178.6179.20111.5K83 T84 A85 G91K83-K87 WeakPolarHBondContact O-CB 3.47Å; K83-K87 PolarHBondContact O-N 3.26Å; T84-K87 PolarHBondContact O-N 3.28Å; A85-K87 PolarHBondContact O-N 2.99Å; K87-G91 WeakPolarHBondContact O-CA 3.21Å; K87-G91 PolarHBondContact O-N 3.43Å
88K86.8Confident89Confident70 Ų7084 Ų8430%0.30444%0.439SS..Hα-helixtrans-61-54.4175.3-79.7-177.6174.5-173.90110T84 A85 L86 L170T84-K88 HydrophobicContact CG2-CD 4.36Å; T84-K88 WeakPolarHBondContact O-CB 2.85Å; T84-K88 WeakPolarHBondContact O-CG 3.41Å; T84-K88 PolarHBondContact O-N 3.28Å; A85-K88 WeakPolarHBondContact O-CB 3.4Å; A85-K88 PolarHBondContact O-N 3.36Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.2Å; K88-L170 HydrophobicContact CB-CB 4.08Å; K88-L170 HydrophobicContact CB-CD1 3.94Å; K88-L170 HydrophobicContact CB-CD2 4.02Å; K88-L170 HydrophobicContact CB-CG 4.26Å; K88-L170 HydrophobicContact CD-CB 4.34Å; K88-L170 HydrophobicContact CD-CD2 4.37Å; K88-L170 HydrophobicContact CG-CD2 4.17Å; K88-L170 WeakPolarHBondContact O-CD1 3.2Å
89V81.5Confident88.8Confident6 Ų683 Ų834%0.03643%0.431CS..Hα-helixtrans-69.5-42.4-171.7174.90000113A85 L86 L103 Q167A85-V89 WeakPolarHBondContact O-CB 3.27Å; A85-V89 VanDerWaalsContact O-CG2 3.26Å; A85-V89 WeakPolarHBondContact O-CG2 3.23Å; A85-V89 PolarHBondContact O-N 2.84Å; L86-V89 PolarHBondContact O-N 3.45Å; V89-L103 HydrophobicContact CG1-CD1 4.34Å; V89-L103 HydrophobicContact CG1-CD2 3.66Å; V89-Q167 HydrophobicContact CG1-CB 4.2Å; V89-Q167 HydrophobicContact CG1-CG 4.2Å; V89-Q167 HydrophobicContact CG2-CB 4.06Å; V89-Q167 HydrophobicContact CG2-CG 3.71Å
90L85.1Confident88.7Confident34 Ų3481.6 Ų81.618%0.17843%0.425CS..Hα-helixtrans-78.2-38.3179.5-68.9-178.8000112.4L86 N92 A93 V95 L100 L103L86-L90 HydrophobicContact CD1-CD1 3.6Å; L86-L90 HydrophobicContact CD1-CG 3.93Å; L86-L90 HydrophobicContact CD2-CD1 4.31Å; L86-L90 HydrophobicContact CG-CD1 3.72Å; L86-L90 HydrophobicContact CG-CG 4.25Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.37Å; L90-N92 PolarHBondContact O-N 3.06Å; L90-N92 VanDerWaalsContact O-N 3.16Å; L90-A93 WeakPolarHBondContact O-CB 3.1Å; L90-A93 PolarHBondContact O-N 2.96Å; L90-V95 HydrophobicContact CD1-CG2 4.46Å; L90-V95 HydrophobicContact CD2-CB 4.36Å; L90-V95 HydrophobicContact CD2-CG1 3.62Å; L90-V95 HydrophobicContact CD2-CG2 3.78Å; L90-L100 HydrophobicContact CD1-CD1 4.2Å; L90-L103 HydrophobicContact CD2-CD1 3.45Å; L90-L103 VanDerWaalsContact CD2-CD1 3.45Å; L90-L103 HydrophobicContact CG-CD1 4.3Å
91G85.3Confident88.5Confident49 Ų4976 Ų7651%0.50541%0.412SS..THydrogen-bonded Turntrans53.1-121.6-167.700000110.7K87K87-G91 WeakPolarHBondContact O-CA 3.21Å; K87-G91 PolarHBondContact O-N 3.43Å
92N83.7Confident88.4Confident175 Ų17577.2 Ų77.294%0.93642%0.417SS*.THydrogen-bonded Turntrans-99.514.8176.2-64.8-20.4000113.3L90L90-N92 PolarHBondContact O-N 3.06Å; L90-N92 VanDerWaalsContact O-N 3.16Å
93A85.1Confident88.2Confident34 Ų3476 Ų7628%0.28141%0.409SS..  trans-83.4133.1-171.300000112.3L90L90-A93 WeakPolarHBondContact O-CB 3.1Å; L90-A93 PolarHBondContact O-N 2.96Å
94L88.3Confident88.1Confident167 Ų16773.3 Ų73.387%0.87440%0.398SS*.  trans-79136.4167.5-61.6176.5000109.6R163L94-R163 PolarHBondContact O-NH2 3.41Å
95V86.7Confident88Confident42 Ų4274 Ų7426%0.25540%0.403SS..  trans-132.2147.5-179.9-720000109.3L90 V99 L100 R163L90-V95 HydrophobicContact CD1-CG2 4.46Å; L90-V95 HydrophobicContact CD2-CB 4.36Å; L90-V95 HydrophobicContact CD2-CG1 3.62Å; L90-V95 HydrophobicContact CD2-CG2 3.78Å; V95-V99 HydrophobicContact CB-CB 4.11Å; V95-V99 HydrophobicContact CB-CG1 3.86Å; V95-V99 HydrophobicContact CG1-CB 4.37Å; V95-V99 HydrophobicContact CG1-CG1 3.6Å; V95-L100 HydrophobicContact CG2-CB 4.02Å; V95-L100 HydrophobicContact CG2-CD1 4.32Å; V95-R163 VanDerWaalsContact CG1-NH1 3.27Å
96N90.8Very high88Confident87 Ų8777.4 Ų77.447%0.46542%0.419SS..  trans-76.3170.4169.366.526.5000110.6N98 V99 L100N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 3.21Å; N96-N98 PolarHBondContact OD1-N 2.97Å; N96-V99 PolarHBondContact O-N 2.93Å; N96-V99 WeakPolarHBondContact OD1-CB 3.25Å; N96-V99 WeakPolarHBondContact OD1-CG2 3.43Å; N96-V99 PolarHBondContact OD1-N 3.35Å; N96-L100 WeakPolarHBondContact O-CB 3.35Å; N96-L100 PolarHBondContact O-N 3.42Å
97E90.8Very high88.1Confident154 Ų15476 Ų7672%0.7241%0.411SS*.Hα-helixtrans-58.6-41.2-178.3-174.6-179.4177.400113L100 T101E97-L100 PolarHBondContact O-N 3.22Å; E97-T101 WeakPolarHBondContact O-CB 3.39Å; E97-T101 PolarHBondContact O-N 3.48Å; E97-T101 PolarHBondContact O-OG1 3.29Å
98N89.8Confident88.2Confident120 Ų12071 Ų7164%0.64239%0.391SS*.Hα-helixtrans-65-43.1-179.1-70.4-22.7000112N96 T101 T102N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 3.21Å; N96-N98 PolarHBondContact OD1-N 2.97Å; N98-T101 PolarHBondContact O-N 3.47Å; N98-T102 WeakPolarHBondContact O-CB 3.31Å; N98-T102 PolarHBondContact O-N 3.31Å; N98-T102 PolarHBondContact O-OG1 3.44Å
99V87.1Confident88.4Confident41 Ų4168.8 Ų68.825%0.24839%0.386CS..Hα-helixtrans-65.3-44.7175.7171.70000110V95 N96 T101 T102 L103V95-V99 HydrophobicContact CB-CB 4.11Å; V95-V99 HydrophobicContact CB-CG1 3.86Å; V95-V99 HydrophobicContact CG1-CB 4.37Å; V95-V99 HydrophobicContact CG1-CG1 3.6Å; N96-V99 PolarHBondContact O-N 2.93Å; N96-V99 WeakPolarHBondContact OD1-CB 3.25Å; N96-V99 WeakPolarHBondContact OD1-CG2 3.43Å; N96-V99 PolarHBondContact OD1-N 3.35Å; V99-T101 VanDerWaalsContact C-N 3.35Å; V99-T101 PolarHBondContact O-N 3.42Å; V99-T102 PolarHBondContact O-N 3.04Å; V99-L103 HydrophobicContact CG1-CD1 4.06Å; V99-L103 HydrophobicContact CG1-CG 4.39Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.37Å
100L89.4Confident88.7Confident55 Ų5570.5 Ų70.529%0.28839%0.391SS..Hα-helixtrans-61.7-43177.9-177.361000112L86 L90 V95 N96 E97 L103 F104L86-L100 HydrophobicContact CD1-CD1 4.05Å; L90-L100 HydrophobicContact CD1-CD1 4.2Å; V95-L100 HydrophobicContact CG2-CB 4.02Å; V95-L100 HydrophobicContact CG2-CD1 4.32Å; N96-L100 WeakPolarHBondContact O-CB 3.35Å; N96-L100 PolarHBondContact O-N 3.42Å; E97-L100 PolarHBondContact O-N 3.22Å; L100-L103 PolarHBondContact O-N 3.47Å; L100-F104 HydrophobicContact CD1-CD2 4.05Å; L100-F104 HydrophobicContact CD1-CE2 3.59Å; L100-F104 HydrophobicContact CD1-CZ 4.3Å; L100-F104 HydrophobicContact CD2-CE2 4.11Å; L100-F104 HydrophobicContact CG-CD2 3.91Å; L100-F104 HydrophobicContact CG-CE2 3.61Å; L100-F104 WeakPolarHBondContact O-CD2 3.22Å; L100-F104 PolarHBondContact O-N 2.83Å
101T90.7Very high89Confident70 Ų7070.8 Ų70.843%0.42939%0.393SS..Hα-helixtrans-62.4-45.2177.3-59.90000111.2E97 N98 V99 L103 F104 C105E97-T101 WeakPolarHBondContact O-CB 3.39Å; E97-T101 PolarHBondContact O-N 3.48Å; E97-T101 PolarHBondContact O-OG1 3.29Å; N98-T101 PolarHBondContact O-N 3.47Å; V99-T101 VanDerWaalsContact C-N 3.35Å; V99-T101 PolarHBondContact O-N 3.42Å; T101-L103 PolarHBondContact O-N 2.95Å; T101-F104 PolarHBondContact O-N 3.04Å; T101-C105 PolarHBondContact O-N 3.02Å; T101-C105 PolarHBondContact O-SG 2.94Å; T101-C105 VanDerWaalsContact O-SG 3.37Å
102T88.7Confident89.3Confident75 Ų7569.8 Ų69.846%0.4638%0.376SS..Hα-helixtrans-61.2-45.1176.6-550000111N98 V99 F104 C105 E106N98-T102 WeakPolarHBondContact O-CB 3.31Å; N98-T102 PolarHBondContact O-N 3.31Å; N98-T102 PolarHBondContact O-OG1 3.44Å; V99-T102 PolarHBondContact O-N 3.04Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 3.05Å; T102-C105 WeakPolarHBondContact O-CB 3.23Å; T102-C105 PolarHBondContact O-N 3.25Å; T102-C105 VanDerWaalsContact O-N 3.17Å; T102-E106 WeakPolarHBondContact O-CG 3.4Å; T102-E106 PolarHBondContact O-N 3.33Å
103L89Confident89.6Confident16 Ų1662.4 Ų62.48%0.08434%0.339CS..Hα-helixtrans-59.6-41176.3-73.5174.9000112.1V89 L90 V99 L100 T101 E106 I107V89-L103 HydrophobicContact CG1-CD1 4.34Å; V89-L103 HydrophobicContact CG1-CD2 3.66Å; L90-L103 HydrophobicContact CD2-CD1 3.45Å; L90-L103 VanDerWaalsContact CD2-CD1 3.45Å; L90-L103 HydrophobicContact CG-CD1 4.3Å; V99-L103 HydrophobicContact CG1-CD1 4.06Å; V99-L103 HydrophobicContact CG1-CG 4.39Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.37Å; L100-L103 PolarHBondContact O-N 3.47Å; T101-L103 PolarHBondContact O-N 2.95Å; L103-E106 PolarHBondContact O-N 3.46Å; L103-I107 WeakPolarHBondContact O-CB 3.42Å; L103-I107 WeakPolarHBondContact O-CD1 3.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.45Å; L103-I107 PolarHBondContact O-N 3.46Å
104F90.4Very high89.8Confident85 Ų8567.1 Ų67.137%0.37335%0.35SS..Hα-helixtrans-62.2-44.6174.8-83.7-60.9000112.2V82 L86 L100 T101 T102 E106 I107 E108V82-F104 HydrophobicContact CG1-CD1 4.23Å; V82-F104 HydrophobicContact CG1-CE1 3.99Å; L86-F104 HydrophobicContact CD2-CE1 4.08Å; L86-F104 HydrophobicContact CD2-CZ 3.81Å; L100-F104 HydrophobicContact CD1-CD2 4.05Å; L100-F104 HydrophobicContact CD1-CE2 3.59Å; L100-F104 HydrophobicContact CD1-CZ 4.3Å; L100-F104 HydrophobicContact CD2-CE2 4.11Å; L100-F104 HydrophobicContact CG-CD2 3.91Å; L100-F104 HydrophobicContact CG-CE2 3.61Å; L100-F104 WeakPolarHBondContact O-CD2 3.22Å; L100-F104 PolarHBondContact O-N 2.83Å; T101-F104 PolarHBondContact O-N 3.04Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 3.05Å; F104-E106 PolarHBondContact O-N 3.46Å; F104-I107 PolarHBondContact O-N 2.91Å; F104-E108 VanDerWaalsContact O-CB 3.22Å; F104-E108 WeakPolarHBondContact O-CB 3.32Å; F104-E108 PolarHBondContact O-N 3.48Å
105C90.6Very high89.9Confident69 Ų6962 Ų6247%0.46633%0.327SS..Hα-helixtrans-61.1-42.8176.7-67.40000112.1T101 T102 E108 A109T101-C105 PolarHBondContact O-N 3.02Å; T101-C105 PolarHBondContact O-SG 2.94Å; T101-C105 VanDerWaalsContact O-SG 3.37Å; T102-C105 WeakPolarHBondContact O-CB 3.23Å; T102-C105 PolarHBondContact O-N 3.25Å; T102-C105 VanDerWaalsContact O-N 3.17Å; C105-E108 PolarHBondContact O-N 2.99Å; C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.1Å
106E89.9Confident90.1Very high75 Ų7564.5 Ų64.535%0.3534%0.338SS..Hα-helixtrans-68.1-43.4178.4-70.9-179.217300112.3T102 L103 F104 E108 A109 R110 Q167T102-E106 WeakPolarHBondContact O-CG 3.4Å; T102-E106 PolarHBondContact O-N 3.33Å; L103-E106 PolarHBondContact O-N 3.46Å; F104-E106 PolarHBondContact O-N 3.46Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-A109 PolarHBondContact O-N 2.89Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 2.96Å; E106-Q167 PolarHBondContact OE2-NE2 3.06Å
107I90.5Very high90Very high3 Ų364.1 Ų64.12%0.01534%0.339CS..Hα-helixtrans-62.8-43.4175.5-70.6167.7000110.2V82 A85 L86 L103 F104 R110 I111V82-I107 HydrophobicContact CG1-CG2 4.33Å; V82-I107 HydrophobicContact CG2-CG2 4.48Å; A85-I107 HydrophobicContact CB-CD1 4.08Å; A85-I107 HydrophobicContact CB-CG1 4.12Å; A85-I107 HydrophobicContact CB-CG2 3.81Å; L86-I107 HydrophobicContact CB-CD1 4.25Å; L86-I107 HydrophobicContact CD1-CD1 4.09Å; L103-I107 WeakPolarHBondContact O-CB 3.42Å; L103-I107 WeakPolarHBondContact O-CD1 3.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.45Å; L103-I107 PolarHBondContact O-N 3.46Å; F104-I107 PolarHBondContact O-N 2.91Å; I107-R110 PolarHBondContact O-N 3.34Å; I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.31Å; I107-I111 WeakPolarHBondContact O-CB 3.44Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.5Å; I107-I111 PolarHBondContact O-N 2.85Å
108E91.5Very high89.9Confident65 Ų6562.2 Ų62.230%0.30433%0.328SS..Hα-helixtrans-58.1-49.2175.2177.4178.7178.500110.9R17 F104 C105 E106 R110 I111 N112R17-E108 IonicContact CZ-OE1 3.58Å; R17-E108 IonicContact NH2-OE1 2.67Å; R17-E108 PolarHBondContact NH2-OE1 3.25Å; F104-E108 VanDerWaalsContact O-CB 3.22Å; F104-E108 WeakPolarHBondContact O-CB 3.32Å; F104-E108 PolarHBondContact O-N 3.48Å; C105-E108 PolarHBondContact O-N 2.99Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.26Å; E108-I111 PolarHBondContact O-N 3.44Å; E108-N112 WeakPolarHBondContact CG-ND2 3.33Å; E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 VanDerWaalsContact O-CG 3.3Å; E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.48Å
109A90.7Very high89.8Confident23 Ų2359.5 Ų59.519%0.1932%0.316CS..Hα-helixtrans-60.4-43.2179.100000111.7C105 E106 N112 A113 F132 F140C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.1Å; E106-A109 PolarHBondContact O-N 2.89Å; A109-N112 CarbonylContact O-C 3.57Å; A109-N112 PolarHBondContact O-N 2.81Å; A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.42Å; A109-F132 HydrophobicContact CB-CE2 4.43Å; A109-F140 HydrophobicContact CB-CD2 4.37Å; A109-F140 HydrophobicContact CB-CE2 3.75Å
110R89.2Confident89.6Confident41 Ų4161.2 Ų61.216%0.15532%0.324CS..Hα-helixtrans-69.1-41.2178.8-68.5-63.9178.1105.2-5.4113.4E106 I107 E108 N112 A113 E142 L171 W175E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 2.96Å; I107-R110 PolarHBondContact O-N 3.34Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.26Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 3.43Å; R110-A113 PolarHBondContact O-N 2.95Å; R110-E142 VanDerWaalsContact CZ-CD 3.42Å; R110-E142 IonicContact CZ-OE1 3.44Å; R110-E142 IonicContact CZ-OE2 3.86Å; R110-E142 IonicContact NE-OE1 3.56Å; R110-E142 PolarHBondContact NE-OE1 2.79Å; R110-E142 IonicContact NH1-OE1 3.1Å; R110-E142 PolarHBondContact NH1-OE1 3.36Å; R110-E142 IonicContact NH1-OE2 3.2Å; R110-E142 IonicContact NH2-OE1 3.94Å; R110-E142 PolarHBondContact NH2-OE1 3.01Å; R110-E142 VanDerWaalsContact NH2-OE1 3.1Å; R110-E142 IonicContact NH2-OE2 2.81Å; R110-E142 PolarHBondContact NH2-OE2 3.48Å; R110-L171 HydrophobicContact CG-CD1 4.32Å; R110-W175 WeakPolarHBondContact O-CZ2 3.36Å
111I90.5Very high89.3Confident41 Ų4167 Ų6721%0.2136%0.356CS..Hα-helixtrans-62.4-40.3174.8-72.1171.4000110.1V82 I107 E108 A113 R114V82-I111 HydrophobicContact CB-CD1 4.24Å; V82-I111 HydrophobicContact CG2-CD1 3.43Å; V82-I111 VanDerWaalsContact CG2-CD1 3.43Å; I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.31Å; I107-I111 WeakPolarHBondContact O-CB 3.44Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.5Å; I107-I111 PolarHBondContact O-N 2.85Å; E108-I111 PolarHBondContact O-N 3.44Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-R114 VanDerWaalsContact O-CB 3.25Å; I111-R114 WeakPolarHBondContact O-CB 3.47Å; I111-R114 PolarHBondContact O-N 3.17Å
112N91.6Very high89Confident28 Ų2868 Ų6815%0.1536%0.358CS..Hα-helixtrans-75-21.9177.3-69.8-41000113E108 A109 R110 R114 T130 P131 F132 L135E108-N112 WeakPolarHBondContact CG-ND2 3.33Å; E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 VanDerWaalsContact O-CG 3.3Å; E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.48Å; A109-N112 CarbonylContact O-C 3.57Å; A109-N112 PolarHBondContact O-N 2.81Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 3.43Å; N112-R114 PolarHBondContact O-N 2.91Å; N112-T130 WeakPolarHBondContact O-CB 3.2Å; N112-T130 PolarHBondContact O-OG1 2.93Å; N112-P131 HydrophobicContact CB-CB 4.28Å; N112-P131 CarbonylContact O-C 3.59Å; N112-P131 WeakPolarHBondContact O-CD 3.26Å; N112-F132 HydrophobicContact CB-CB 4.16Å; N112-F132 HydrophobicContact CB-CD2 4.12Å; N112-F132 VanDerWaalsContact O-CB 3.31Å; N112-F132 WeakPolarHBondContact O-CB 3.23Å; N112-F132 PolarHBondContact O-N 3.43Å; N112-L135 HydrophobicContact CB-CD1 4.1Å; N112-L135 WeakPolarHBondContact ND2-CD1 3.32Å; N112-L135 WeakPolarHBondContact OD1-CD1 3.35Å
113A90.7Very high88.5Confident20 Ų2068.6 Ų68.617%0.16537%0.371CS..THydrogen-bonded Turntrans-76.5-0.1173.600000113.4A109 R110 I111 P115 T130 F140A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.42Å; R110-A113 PolarHBondContact O-N 2.95Å; I111-A113 VanDerWaalsContact C-N 3.33Å; A113-P115 WeakPolarHBondContact O-CD 3.49Å; A113-T130 WeakPolarHBondContact O-CG2 3.49Å; A113-F140 HydrophobicContact CB-CB 3.82Å; A113-F140 HydrophobicContact CB-CD1 3.36Å; A113-F140 HydrophobicContact CB-CD2 4.17Å; A113-F140 HydrophobicContact CB-CE1 3.89Å; A113-F140 HydrophobicContact CB-CG 3.5Å
114R88.9Confident88Confident132 Ų13274.7 Ų74.750%0.49840%0.403SS..  trans-58.4127.3177.6-174.4173.5-171.3-110.4-2.9111.5I111 N112 L116 T130 P131 W175I111-R114 VanDerWaalsContact O-CB 3.25Å; I111-R114 WeakPolarHBondContact O-CB 3.47Å; I111-R114 PolarHBondContact O-N 3.17Å; N112-R114 PolarHBondContact O-N 2.91Å; R114-L116 PolarHBondContact O-N 3.04Å; R114-T130 WeakPolarHBondContact O-CA 3.39Å; R114-T130 VanDerWaalsContact O-CB 3.29Å; R114-T130 WeakPolarHBondContact O-CB 3.08Å; R114-P131 WeakPolarHBondContact O-CD 3.46Å; R114-W175 HydrophobicContact CB-CH2 3.4Å; R114-W175 HydrophobicContact CB-CZ2 4.22Å; R114-W175 HydrophobicContact CB-CZ3 3.77Å; R114-W175 HydrophobicContact CG-CE3 4.16Å; R114-W175 HydrophobicContact CG-CH2 3.49Å; R114-W175 VanDerWaalsContact CG-CH2 3.49Å; R114-W175 HydrophobicContact CG-CZ3 3.26Å
115P90.2Very high87.4Confident61 Ų6173.3 Ų73.340%0.39640%0.4SS..  trans-60.4129.9170.2-23.435.6000111.8A113 L128A113-P115 WeakPolarHBondContact O-CD 3.49Å; P115-L128 HydrophobicContact CB-CB 4.31Å; P115-L128 HydrophobicContact CB-CD1 4.04Å; P115-L128 HydrophobicContact CB-CD2 4.25Å; P115-L128 HydrophobicContact CB-CG 4.43Å; P115-L128 HydrophobicContact CG-CD1 3.69Å
116L90.2Very high86.7Confident93 Ų9376.8 Ų76.849%0.48741%0.411SS..  trans-96.5-51.5170.4-61.3174.3000110.4R114 L129 P131 F134R114-L116 PolarHBondContact O-N 3.04Å; L116-L129 WeakPolarHBondContact CB-O 3.4Å; L116-L129 PolarHBondContact N-O 2.91Å; L116-P131 HydrophobicContact CD1-CG 4.16Å; L116-P131 HydrophobicContact CD2-CG 4.18Å; L116-P131 HydrophobicContact CG-CG 4.29Å; L116-F134 HydrophobicContact CD1-CD2 4.45Å; L116-F134 HydrophobicContact CD1-CE2 3.94Å
117T90.2Very high86.5Confident80 Ų8075.3 Ų75.349%0.49140%0.404SS..EExtended strand (participates in β ladder)trans-161.4172.3-179.1-174.70000109L129T117-L129 HydrophobicContact CG2-CB 4.06Å; T117-L129 HydrophobicContact CG2-CD2 3.89Å; T117-L129 WeakPolarHBondContact O-CB 3.33Å; T117-L129 PolarHBondContact O-N 3.43Å
118F88.8Confident86.4Confident113 Ų11378.4 Ų78.450%0.49642%0.42SS..EExtended strand (participates in β ladder)trans-74.6150.6165.3-63.3-85.1000110.4N120 M126 E127 L128F118-N120 WeakPolarHBondContact CB-O 3.2Å; F118-M126 HydrophobicContact CE1-CB 4.32Å; F118-E127 WeakPolarHBondContact CA-O 3.33Å; F118-L128 HydrophobicContact CD1-CD2 3.62Å; F118-L128 HydrophobicContact CE1-CD2 3.4Å; F118-L128 HydrophobicContact CG-CD2 4.29Å; F118-L128 HydrophobicContact CZ-CD2 3.9Å
119V86.5Confident86.3Confident64 Ų6477.4 Ų77.439%0.38842%0.417SS..SBendtrans-73.6-36.9174.6177.60000110.8E127 L129V119-E127 HydrophobicContact CB-CB 4.39Å; V119-E127 HydrophobicContact CB-CG 4.48Å; V119-E127 HydrophobicContact CG2-CB 4.22Å; V119-E127 HydrophobicContact CG2-CG 3.81Å; V119-E127 PolarHBondContact N-O 2.97Å; V119-L129 HydrophobicContact CG2-CB 4Å; V119-L129 HydrophobicContact CG2-CD1 4.44Å
120N84.1Confident86.4Confident77 Ų7776.8 Ų76.841%0.41241%0.41SS..  trans-130.5161.2-176.4-62.8-41.7000110.8F118 D125F118-N120 WeakPolarHBondContact CB-O 3.2Å; N120-D125 PolarHBondContact ND2-OD2 3.38Å
121D82.9Confident86.6Confident177 Ų17776.3 Ų76.395%0.94741%0.413SS*.SBendtrans-89.30.4175.2-66.8-33.9000113.1A123D121-A123 PolarHBondContact O-N 2.96Å
122D83.4Confident86.7Confident91 Ų9176.2 Ų76.249%0.48741%0.411SS..  trans-71.4122.5178.6-171.5-10.7000110.3N124 D125D122-N124 PolarHBondContact O-N 3.23Å; D122-N124 VanDerWaalsContact O-N 3.09Å; D122-N124 WeakPolarHBondContact OD1-CB 3.45Å; D122-N124 PolarHBondContact OD1-N 3.19Å; D122-N124 PolarHBondContact OD1-ND2 2.86Å; D122-D125 HydrophobicContact CB-CB 4.28Å; D122-D125 PolarHBondContact O-N 3.22Å
123A77.8Confident86.7Confident87 Ų8776.5 Ų76.572%0.71941%0.411SS*.THydrogen-bonded Turntrans-59.5-21.2176.800000113.2D121D121-A123 PolarHBondContact O-N 2.96Å
124N79.1Confident86.7Confident144 Ų14482.6 Ų82.677%0.7743%0.434SS*.THydrogen-bonded Turntrans-87.1-17.4177.5-58.8-59.2000113.6D122D122-N124 PolarHBondContact O-N 3.23Å; D122-N124 VanDerWaalsContact O-N 3.09Å; D122-N124 WeakPolarHBondContact OD1-CB 3.45Å; D122-N124 PolarHBondContact OD1-N 3.19Å; D122-N124 PolarHBondContact OD1-ND2 2.86Å
125D78.1Confident86.7Confident56 Ų5680 Ų8030%0.29943%0.43SS..  trans-11386.8-179.8-172.512.3000111.4N120 D122 E127N120-D125 PolarHBondContact ND2-OD2 3.38Å; D122-D125 HydrophobicContact CB-CB 4.28Å; D122-D125 PolarHBondContact O-N 3.22Å; D125-E127 PolarHBondContact O-N 2.8Å; D125-E127 VanDerWaalsContact O-N 3.15Å; D125-E127 PolarHBondContact OD1-N 3.34Å
126M76.7Confident86.7Confident142 Ų14279.9 Ų79.970%0.743%0.428SS*.  trans-8430.9179.9-68-178.2-83.500113.2F118 L128F118-M126 HydrophobicContact CE1-CB 4.32Å; M126-L128 PolarHBondContact O-N 3.09Å
127E84.4Confident86.7Confident44 Ų4478.7 Ų78.721%0.20644%0.439CS..PPolyproline II helixtrans-63.8122174.6-175171.7-162.400111F118 V119 D125 H133 R139F118-E127 WeakPolarHBondContact CA-O 3.33Å; V119-E127 HydrophobicContact CB-CB 4.39Å; V119-E127 HydrophobicContact CB-CG 4.48Å; V119-E127 HydrophobicContact CG2-CB 4.22Å; V119-E127 HydrophobicContact CG2-CG 3.81Å; V119-E127 PolarHBondContact N-O 2.97Å; D125-E127 PolarHBondContact O-N 2.8Å; D125-E127 VanDerWaalsContact O-N 3.15Å; D125-E127 PolarHBondContact OD1-N 3.34Å; E127-H133 IonicContact OE1-NE2 3.26Å; E127-R139 VanDerWaalsContact CD-CZ 3.44Å; E127-R139 IonicContact OE1-CZ 3.74Å; E127-R139 IonicContact OE1-NE 3Å; E127-R139 PolarHBondContact OE1-NE 2.81Å; E127-R139 IonicContact OE1-NH2 2.65Å; E127-R139 PolarHBondContact OE1-NH2 3.48Å; E127-R139 IonicContact OE2-CZ 2.68Å; E127-R139 IonicContact OE2-NE 3.26Å; E127-R139 IonicContact OE2-NH2 3.86Å; E127-R139 PolarHBondContact OE2-NH2 3.45Å
128L88.2Confident86.7Confident67 Ų6783.9 Ų83.935%0.35145%0.449SS..EExtended strand (participates in β ladder)trans-91.6124178.9-62172.8000110.1P115 F118 M126 T130 H133P115-L128 HydrophobicContact CB-CB 4.31Å; P115-L128 HydrophobicContact CB-CD1 4.04Å; P115-L128 HydrophobicContact CB-CD2 4.25Å; P115-L128 HydrophobicContact CB-CG 4.43Å; P115-L128 HydrophobicContact CG-CD1 3.69Å; F118-L128 HydrophobicContact CD1-CD2 3.62Å; F118-L128 HydrophobicContact CE1-CD2 3.4Å; F118-L128 HydrophobicContact CG-CD2 4.29Å; F118-L128 HydrophobicContact CZ-CD2 3.9Å; M126-L128 PolarHBondContact O-N 3.09Å; L128-T130 HydrophobicContact CB-CG2 4.44Å; L128-H133 PolarHBondContact O-CE1 2.92Å
129L91.1Very high86.6Confident45 Ų4585.5 Ų85.524%0.23645%0.452CS..EExtended strand (participates in β ladder)trans-73.7129.9167.1-170.863.2000109.3L116 T117 V119 H133 F134L116-L129 WeakPolarHBondContact CB-O 3.4Å; L116-L129 PolarHBondContact N-O 2.91Å; T117-L129 HydrophobicContact CG2-CB 4.06Å; T117-L129 HydrophobicContact CG2-CD2 3.89Å; T117-L129 WeakPolarHBondContact O-CB 3.33Å; T117-L129 PolarHBondContact O-N 3.43Å; V119-L129 HydrophobicContact CG2-CB 4Å; V119-L129 HydrophobicContact CG2-CD1 4.44Å; L129-H133 HydrophobicContact CD1-CB 4.19Å; L129-F134 HydrophobicContact CD1-CE2 4.12Å; L129-F134 HydrophobicContact CD1-CZ 4.03Å; L129-F134 HydrophobicContact CD2-CE2 4.1Å; L129-F134 HydrophobicContact CD2-CZ 3.83Å; L129-F134 HydrophobicContact CG-CE2 4Å; L129-F134 HydrophobicContact CG-CZ 4.11Å
130T92.6Very high86.6Confident9 Ų985 Ų856%0.05545%0.445CS..  trans-135.9157.8-176.972.80000110.2N112 A113 R114 L128 F132 H133N112-T130 WeakPolarHBondContact O-CB 3.2Å; N112-T130 PolarHBondContact O-OG1 2.93Å; A113-T130 WeakPolarHBondContact O-CG2 3.49Å; R114-T130 WeakPolarHBondContact O-CA 3.39Å; R114-T130 VanDerWaalsContact O-CB 3.29Å; R114-T130 WeakPolarHBondContact O-CB 3.08Å; L128-T130 HydrophobicContact CB-CG2 4.44Å; T130-F132 PolarHBondContact O-N 3.27Å; T130-F132 VanDerWaalsContact O-N 3.1Å; T130-F132 WeakPolarHBondContact OG1-CB 3.2Å; T130-F132 PolarHBondContact OG1-N 3.32Å; T130-H133 PolarHBondContact N-ND1 3.34Å; T130-H133 WeakPolarHBondContact O-CB 3.49Å; T130-H133 PolarHBondContact O-N 3Å; T130-H133 PolarHBondContact OG1-CE1 3.46Å; T130-H133 PolarHBondContact OG1-ND1 3.23Å
131P92.4Very high86.5Confident32 Ų3289 Ų8921%0.20846%0.461CS..Hα-helixtrans-53.6-29.6171.2-25.433.2000113.5N112 R114 L116 H133 F134 L135N112-P131 HydrophobicContact CB-CB 4.28Å; N112-P131 CarbonylContact O-C 3.59Å; N112-P131 WeakPolarHBondContact O-CD 3.26Å; R114-P131 WeakPolarHBondContact O-CD 3.46Å; L116-P131 HydrophobicContact CD1-CG 4.16Å; L116-P131 HydrophobicContact CD2-CG 4.18Å; L116-P131 HydrophobicContact CG-CG 4.29Å; P131-H133 VanDerWaalsContact C-N 3.26Å; P131-H133 PolarHBondContact O-N 3.41Å; P131-F134 PolarHBondContact O-N 3.47Å; P131-L135 WeakPolarHBondContact O-CB 3.33Å; P131-L135 VanDerWaalsContact O-CG 3.3Å; P131-L135 WeakPolarHBondContact O-CG 3.44Å; P131-L135 PolarHBondContact O-N 2.84Å
132F92.1Very high86.3Confident39 Ų3985.6 Ų85.617%0.17144%0.439CS..Hα-helixtrans-60.5-35.7177.8-162.3-88.9000112.1A109 N112 T130 L135 T136 R138 F140A109-F132 HydrophobicContact CB-CE2 4.43Å; N112-F132 HydrophobicContact CB-CB 4.16Å; N112-F132 HydrophobicContact CB-CD2 4.12Å; N112-F132 VanDerWaalsContact O-CB 3.31Å; N112-F132 WeakPolarHBondContact O-CB 3.23Å; N112-F132 PolarHBondContact O-N 3.43Å; T130-F132 PolarHBondContact O-N 3.27Å; T130-F132 VanDerWaalsContact O-N 3.1Å; T130-F132 WeakPolarHBondContact OG1-CB 3.2Å; T130-F132 PolarHBondContact OG1-N 3.32Å; F132-L135 PolarHBondContact O-N 2.86Å; F132-T136 HydrophobicContact CD1-CG2 4.41Å; F132-T136 WeakPolarHBondContact CD1-OG1 3.38Å; F132-T136 HydrophobicContact CE1-CG2 4.08Å; F132-T136 VanDerWaalsContact CE1-OG1 3.23Å; F132-T136 WeakPolarHBondContact CE1-OG1 3.47Å; F132-T136 HydrophobicContact CE2-CG2 4.27Å; F132-T136 HydrophobicContact CZ-CG2 4Å; F132-T136 PolarHBondContact O-N 3.31Å; F132-T136 PolarHBondContact O-OG1 2.98Å; F132-R138 VanDerWaalsContact CD1-O 3.27Å; F132-R138 WeakPolarHBondContact CD1-O 3.37Å; F132-F140 HydrophobicContact CB-CB 4.34Å; F132-F140 HydrophobicContact CD1-CB 3.81Å; F132-F140 HydrophobicContact CD2-CB 4.31Å; F132-F140 HydrophobicContact CD2-CD2 4.03Å; F132-F140 HydrophobicContact CE1-CB 4.16Å; F132-F140 HydrophobicContact CE1-CD2 4.45Å; F132-F140 AromaticContact CE2-CD2 3.79Å; F132-F140 HydrophobicContact CE2-CD2 3.79Å; F132-F140 HydrophobicContact CG-CB 3.9Å; F132-F140 HydrophobicContact CG-CD2 4.46Å; F132-F140 HydrophobicContact CZ-CD2 4.02Å
133H92.1Very high85.8Confident34 Ų3487.4 Ų87.416%0.15745%0.453CS..Hα-helixtrans-61.6-49.6174-66.293.1000111.3E127 L128 L129 T130 P131 L135 G137 R139E127-H133 IonicContact OE1-NE2 3.26Å; L128-H133 PolarHBondContact O-CE1 2.92Å; L129-H133 HydrophobicContact CD1-CB 4.19Å; T130-H133 PolarHBondContact N-ND1 3.34Å; T130-H133 WeakPolarHBondContact O-CB 3.49Å; T130-H133 PolarHBondContact O-N 3Å; T130-H133 PolarHBondContact OG1-CE1 3.46Å; T130-H133 PolarHBondContact OG1-ND1 3.23Å; P131-H133 VanDerWaalsContact C-N 3.26Å; P131-H133 PolarHBondContact O-N 3.41Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.75Å; H133-G137 WeakPolarHBondContact O-CA 3.35Å; H133-G137 PolarHBondContact O-N 3.34Å; H133-R139 WeakPolarHBondContact NE2-CG 2.99Å
134F90.9Very high85.2Confident148 Ų14889 Ų8965%0.64946%0.456SS*.Hα-helixtrans-64.9-32.4178.5-63.7-67.2000113L116 L129 P131L116-F134 HydrophobicContact CD1-CD2 4.45Å; L116-F134 HydrophobicContact CD1-CE2 3.94Å; L129-F134 HydrophobicContact CD1-CE2 4.12Å; L129-F134 HydrophobicContact CD1-CZ 4.03Å; L129-F134 HydrophobicContact CD2-CE2 4.1Å; L129-F134 HydrophobicContact CD2-CZ 3.83Å; L129-F134 HydrophobicContact CG-CE2 4Å; L129-F134 HydrophobicContact CG-CZ 4.11Å; P131-F134 PolarHBondContact O-N 3.47Å
135L89.8Confident84Confident77 Ų7788.3 Ų88.340%0.40345%0.45SS..Hα-helixtrans-83.5-28.2-175.3-75.8176.5000114.5R17 N112 P131 F132 H133R17-L135 PolarHBondContact NH1-O 2.82Å; N112-L135 HydrophobicContact CB-CD1 4.1Å; N112-L135 WeakPolarHBondContact ND2-CD1 3.32Å; N112-L135 WeakPolarHBondContact OD1-CD1 3.35Å; P131-L135 WeakPolarHBondContact O-CB 3.33Å; P131-L135 VanDerWaalsContact O-CG 3.3Å; P131-L135 WeakPolarHBondContact O-CG 3.44Å; P131-L135 PolarHBondContact O-N 2.84Å; F132-L135 PolarHBondContact O-N 2.86Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.75Å
136T89.6Confident82.7Confident58 Ų5894.9 Ų94.936%0.35648%0.476SS..Hα-helixtrans-128.3-12-172.6670000114F132 R138F132-T136 HydrophobicContact CD1-CG2 4.41Å; F132-T136 WeakPolarHBondContact CD1-OG1 3.38Å; F132-T136 HydrophobicContact CE1-CG2 4.08Å; F132-T136 VanDerWaalsContact CE1-OG1 3.23Å; F132-T136 WeakPolarHBondContact CE1-OG1 3.47Å; F132-T136 HydrophobicContact CE2-CG2 4.27Å; F132-T136 HydrophobicContact CZ-CG2 4Å; F132-T136 PolarHBondContact O-N 3.31Å; F132-T136 PolarHBondContact O-OG1 2.98Å; T136-R138 PolarHBondContact O-N 2.85Å; T136-R138 PolarHBondContact OG1-N 3.38Å; T136-R138 PolarHBondContact OG1-O 2.93Å
137G90.4Very high81.2Confident69 Ų6992.1 Ų92.171%0.71147%0.47SS*.SBendtrans68.112.9-171.800000113.9H133H133-G137 WeakPolarHBondContact O-CA 3.35Å; H133-G137 PolarHBondContact O-N 3.34Å
138R89.5Confident79.1Confident189 Ų18993 Ų9371%0.71348%0.479SS*.SBendtrans-131.6159.4-174.6-60.9-178.8-173.8-168.60.2110.9F132 T136F132-R138 VanDerWaalsContact CD1-O 3.27Å; F132-R138 WeakPolarHBondContact CD1-O 3.37Å; T136-R138 PolarHBondContact O-N 2.85Å; T136-R138 PolarHBondContact OG1-N 3.38Å; T136-R138 PolarHBondContact OG1-O 2.93Å
139R86.4Confident77Confident146 Ų14699.3 Ų99.355%0.55150%0.504SS*.  trans-69.9142.7168.3-68.1177.7-176.3178.24.3109.7E127 H133 Q141E127-R139 VanDerWaalsContact CD-CZ 3.44Å; E127-R139 IonicContact OE1-CZ 3.74Å; E127-R139 IonicContact OE1-NE 3Å; E127-R139 PolarHBondContact OE1-NE 2.81Å; E127-R139 IonicContact OE1-NH2 2.65Å; E127-R139 PolarHBondContact OE1-NH2 3.48Å; E127-R139 IonicContact OE2-CZ 2.68Å; E127-R139 IonicContact OE2-NE 3.26Å; E127-R139 IonicContact OE2-NH2 3.86Å; E127-R139 PolarHBondContact OE2-NH2 3.45Å; H133-R139 WeakPolarHBondContact NE2-CG 2.99Å; R139-Q141 PolarHBondContact O-N 3.34Å
140F86.2Confident74.6Confident54 Ų54104.3 Ų104.324%0.23753%0.526CS..  trans-67.4126.1169.6176.1-111.2000109.3A109 A113 F132 E142A109-F140 HydrophobicContact CB-CD2 4.37Å; A109-F140 HydrophobicContact CB-CE2 3.75Å; A113-F140 HydrophobicContact CB-CB 3.82Å; A113-F140 HydrophobicContact CB-CD1 3.36Å; A113-F140 HydrophobicContact CB-CD2 4.17Å; A113-F140 HydrophobicContact CB-CE1 3.89Å; A113-F140 HydrophobicContact CB-CG 3.5Å; F132-F140 HydrophobicContact CB-CB 4.34Å; F132-F140 HydrophobicContact CD1-CB 3.81Å; F132-F140 HydrophobicContact CD2-CB 4.31Å; F132-F140 HydrophobicContact CD2-CD2 4.03Å; F132-F140 HydrophobicContact CE1-CB 4.16Å; F132-F140 HydrophobicContact CE1-CD2 4.45Å; F132-F140 AromaticContact CE2-CD2 3.79Å; F132-F140 HydrophobicContact CE2-CD2 3.79Å; F132-F140 HydrophobicContact CG-CB 3.9Å; F132-F140 HydrophobicContact CG-CD2 4.46Å; F132-F140 HydrophobicContact CZ-CD2 4.02Å; F140-E142 HydrophobicContact CD1-CG 4.21Å; F140-E142 HydrophobicContact CE1-CG 3.35Å; F140-E142 HydrophobicContact CZ-CG 3.85Å
141Q84Confident71.8Confident162 Ų162111.7 Ų111.776%0.75757%0.565SS**  trans-116.1121.4174.8-66.6-176.6-0.900108.7R139 V143R139-Q141 PolarHBondContact O-N 3.34Å; Q141-V143 PolarHBondContact O-N 2.88Å
142E77Confident69Low105 Ų105116.2 Ų116.249%0.49159%0.592SS.*PPolyproline II helixtrans-71.7127.5169.7-66.6-161.1-179.400109.3R110 F140 P144R110-E142 VanDerWaalsContact CZ-CD 3.42Å; R110-E142 IonicContact CZ-OE1 3.44Å; R110-E142 IonicContact CZ-OE2 3.86Å; R110-E142 IonicContact NE-OE1 3.56Å; R110-E142 PolarHBondContact NE-OE1 2.79Å; R110-E142 IonicContact NH1-OE1 3.1Å; R110-E142 PolarHBondContact NH1-OE1 3.36Å; R110-E142 IonicContact NH1-OE2 3.2Å; R110-E142 IonicContact NH2-OE1 3.94Å; R110-E142 PolarHBondContact NH2-OE1 3.01Å; R110-E142 VanDerWaalsContact NH2-OE1 3.1Å; R110-E142 IonicContact NH2-OE2 2.81Å; R110-E142 PolarHBondContact NH2-OE2 3.48Å; F140-E142 HydrophobicContact CD1-CG 4.21Å; F140-E142 HydrophobicContact CE1-CG 3.35Å; F140-E142 HydrophobicContact CZ-CG 3.85Å; E142-P144 VanDerWaalsContact O-CD 3.23Å; E142-P144 WeakPolarHBondContact O-CD 3.24Å
143V73.2Confident66.3Low129 Ų129118.4 Ų118.478%0.78263%0.625SS**PPolyproline II helixtrans-70.1117173.1-179.40000108.2Q141 M145Q141-V143 PolarHBondContact O-N 2.88Å; V143-M145 PolarHBondContact O-N 3.46Å
144P65.9Low63.7Low120 Ų120122.4 Ų122.478%0.77965%0.647SS**PPolyproline II helixtrans-66.5119.6179.6-16.830.3000110.2E142E142-P144 VanDerWaalsContact O-CD 3.23Å; E142-P144 WeakPolarHBondContact O-CD 3.24Å
145M54.1Low61.1Low130 Ų130123.3 Ų123.364%0.6466%0.655SS**PPolyproline II helixtrans-91.6117.2168.8-89.6-172.8134.300109.7V143 S147 W164V143-M145 PolarHBondContact O-N 3.46Å; M145-S147 PolarHBondContact O-N 3.24Å; M145-W164 HydrophobicContact SD-CD2 4.31Å; M145-W164 HydrophobicContact SD-CG 4.39Å
146K50.4Low58.8Low194 Ų194128.1 Ų128.184%0.84367%0.67SS**PPolyproline II helixtrans-64.5120.1168.7-71.9-174.6178.7-179.10109.1T148K146-T148 PolarHBondContact O-N 3.36Å
147S44.3Very low56.5Low83 Ų83126.6 Ų126.658%0.5867%0.665SS**  trans-71.478.5167162.80000109.2M145 K149M145-S147 PolarHBondContact O-N 3.24Å; S147-K149 PolarHBondContact O-N 2.94Å
148T41.3Very low54.1Low64 Ų64132.2 Ų132.239%0.39367%0.666SS.*  trans-72.4112.2171.4-23.60000108.3K146 E150 R161K146-T148 PolarHBondContact O-N 3.36Å; T148-E150 HydrophobicContact CG2-CB 4.34Å; T148-E150 PolarHBondContact O-N 2.8Å; T148-R161 PolarHBondContact O-NH1 3.5Å
149K43.5Very low52.2Low199 Ų199125.1 Ų125.187%0.86565%0.648SS**  trans-74.510.7177.4-76.5-174.9176179.20113.6S147S147-K149 PolarHBondContact O-N 2.94Å
150E40.9Very low50.3Low150 Ų150123.2 Ų123.270%0.70165%0.648SS**  trans-100.4135.3-169.8-68.7174.6158.300113.6T148T148-E150 HydrophobicContact CG2-CB 4.34Å; T148-E150 PolarHBondContact O-N 2.8Å
151N33Very low48.7Very low163 Ų163125.9 Ų125.987%0.87266%0.657SS**  trans-56.7118.9-176.5-68.6-56.6000113.7
152V35.6Very low47.3Very low127 Ų127125.3 Ų125.377%0.7765%0.652SS**  trans-147.7122156.9-167.30000109.8L154V152-L154 VanDerWaalsContact C-N 3.32Å; V152-L154 PolarHBondContact O-N 2.85Å
153G35.2Very low46.4Very low85 Ų85124.2 Ų124.288%0.87664%0.643SS**  trans-6469.4-175.400000116.6
154L37.6Very low45.8Very low118 Ų118122.2 Ų122.262%0.61862%0.622SS**  trans-113.8102.4166-68.3168.4000109V152 Y156 G157 Y158V152-L154 VanDerWaalsContact C-N 3.32Å; V152-L154 PolarHBondContact O-N 2.85Å; L154-Y156 PolarHBondContact O-N 3.29Å; L154-G157 PolarHBondContact O-N 3.33Å; L154-Y158 PolarHBondContact O-N 2.79Å
155M35.2Very low45.5Very low167 Ų167123.7 Ų123.782%0.82361%0.612SS**Hα-helixtrans-50.5-27.7175.1-166.2173.190.800112.4
156Y41.8Very low45.9Very low179 Ų179121.5 Ų121.570%0.70260%0.602SS**Hα-helixtrans-75.7-35.2174.3-77.8-87000114.3L154 L160L154-Y156 PolarHBondContact O-N 3.29Å; Y156-L160 PolarHBondContact O-N 3.46Å
157G41.3Very low46.1Very low26 Ų26112.8 Ų112.827%0.26856%0.564SS.*Hα-helixtrans-74.9-36.3-178.100000113.4L154 L160 R161L154-G157 PolarHBondContact O-N 3.33Å; G157-L160 PolarHBondContact O-N 2.86Å; G157-R161 WeakPolarHBondContact O-CB 2.98Å; G157-R161 VanDerWaalsContact O-CG 3.28Å; G157-R161 WeakPolarHBondContact O-CG 3.03Å; G157-R161 PolarHBondContact O-N 2.89Å
158Y39Very low46.9Very low186 Ų186111.2 Ų111.273%0.72955%0.548SS*.Hα-helixtrans-68.6-37.9175.3-159.2-97.3000111.5L154 R161 K162L154-Y158 PolarHBondContact O-N 2.79Å; Y158-R161 PolarHBondContact O-N 3.4Å; Y158-K162 WeakPolarHBondContact O-CB 3.21Å; Y158-K162 PolarHBondContact O-N 3.47Å
159A49.7Very low48Very low40 Ų40113 Ų11333%0.33156%0.559SS.*Hα-helixtrans-65.2-45.117400000111.9R161 R163A159-R161 PolarHBondContact O-N 3.28Å; A159-R163 WeakPolarHBondContact O-CB 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 2.88Å
160L47.2Very low48.6Very low107 Ų107105.4 Ų105.456%0.5653%0.527SS*.Hα-helixtrans-61.3-41.6174.8-98.5145.8000112.3Y156 G157 R163 W164Y156-L160 PolarHBondContact O-N 3.46Å; G157-L160 PolarHBondContact O-N 2.86Å; L160-R163 PolarHBondContact O-N 3.27Å; L160-W164 WeakPolarHBondContact O-CB 3.45Å; L160-W164 PolarHBondContact O-N 3.49Å
161R52.4Low49.3Very low109 Ų10998.8 Ų98.841%0.41150%0.497SS..Hα-helixtrans-69.6-42178.6-73.5172.8-179.7-148.9-0.7113.2T148 G157 Y158 A159 R165T148-R161 PolarHBondContact O-NH1 3.5Å; G157-R161 WeakPolarHBondContact O-CB 2.98Å; G157-R161 VanDerWaalsContact O-CG 3.28Å; G157-R161 WeakPolarHBondContact O-CG 3.03Å; G157-R161 PolarHBondContact O-N 2.89Å; Y158-R161 PolarHBondContact O-N 3.4Å; A159-R161 PolarHBondContact O-N 3.28Å; R161-R165 WeakPolarHBondContact O-CG 3.23Å; R161-R165 PolarHBondContact O-N 3.14Å
162K55.4Low50.7Low150 Ų15093.2 Ų93.265%0.65248%0.478SS*.Hα-helixtrans-67.5-40.8174.5-169.5177.6-179.6-179.60110.7Y158 R165 L166Y158-K162 WeakPolarHBondContact O-CB 3.21Å; Y158-K162 PolarHBondContact O-N 3.47Å; K162-R165 PolarHBondContact O-N 2.73Å; K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 PolarHBondContact O-N 3.45Å
163R57.7Low51.7Low82 Ų8290.5 Ų90.531%0.30946%0.463SS..Hα-helixtrans-66.9-36.7175.7-76.5175.7178.3-172.94.3112.5L94 V95 A159 L160 L166 Q167L94-R163 PolarHBondContact O-NH2 3.41Å; V95-R163 VanDerWaalsContact CG1-NH1 3.27Å; A159-R163 WeakPolarHBondContact O-CB 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 2.88Å; L160-R163 PolarHBondContact O-N 3.27Å; R163-L166 CarbonylContact O-C 3.56Å; R163-L166 WeakPolarHBondContact O-CB 3.49Å; R163-L166 PolarHBondContact O-N 2.98Å; R163-Q167 VanDerWaalsContact O-CB 3.23Å; R163-Q167 WeakPolarHBondContact O-CB 3.17Å; R163-Q167 PolarHBondContact O-N 3.49Å
164W60.6Low52.4Low88 Ų8888.7 Ų88.733%0.33343%0.433SS..Hα-helixtrans-71.4-41.4176.1-177.388.7000111.6M145 L160 L166 Q167 Q168M145-W164 HydrophobicContact SD-CD2 4.31Å; M145-W164 HydrophobicContact SD-CG 4.39Å; L160-W164 WeakPolarHBondContact O-CB 3.45Å; L160-W164 PolarHBondContact O-N 3.49Å; W164-L166 VanDerWaalsContact C-N 3.31Å; W164-L166 PolarHBondContact O-N 3.49Å; W164-Q167 CarbonylContact O-C 3.53Å; W164-Q167 WeakPolarHBondContact O-CA 3.44Å; W164-Q167 WeakPolarHBondContact O-CB 3.37Å; W164-Q167 PolarHBondContact O-N 3.01Å; W164-Q167 VanDerWaalsContact O-N 3.14Å; W164-Q168 HydrophobicContact CD2-CG 3.91Å; W164-Q168 VanDerWaalsContact CE2-NE2 3.33Å; W164-Q168 HydrophobicContact CE3-CG 3.98Å; W164-Q168 HydrophobicContact CH2-CG 3.71Å; W164-Q168 HydrophobicContact CZ2-CG 3.62Å; W164-Q168 VanDerWaalsContact CZ2-NE2 3.31Å; W164-Q168 HydrophobicContact CZ3-CG 3.88Å; W164-Q168 WeakPolarHBondContact O-CG 3.28Å; W164-Q168 PolarHBondContact O-N 3.49Å
165R60.1Low53.1Low151 Ų15189 Ų8957%0.5743%0.426SS*.Hα-helixtrans-61.2-43.3170.8-73.8-174.7-140.3-146.22.5111.2R161 K162 Q167 Q168 T169R161-R165 WeakPolarHBondContact O-CG 3.23Å; R161-R165 PolarHBondContact O-N 3.14Å; K162-R165 PolarHBondContact O-N 2.73Å; R165-Q167 VanDerWaalsContact C-N 3.31Å; R165-Q167 PolarHBondContact O-N 2.75Å; R165-Q168 PolarHBondContact O-N 3.19Å; R165-T169 WeakPolarHBondContact O-CB 3.44Å; R165-T169 PolarHBondContact O-N 2.7Å; R165-T169 PolarHBondContact O-OG1 3.01Å
166L60.9Low53.4Low84 Ų8493 Ų9344%0.4444%0.439SS..Hα-helixtrans-58.3-45172.6-178.562.6000110.3K162 R163 W164 T169 L170K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 PolarHBondContact O-N 3.45Å; R163-L166 CarbonylContact O-C 3.56Å; R163-L166 WeakPolarHBondContact O-CB 3.49Å; R163-L166 PolarHBondContact O-N 2.98Å; W164-L166 VanDerWaalsContact C-N 3.31Å; W164-L166 PolarHBondContact O-N 3.49Å; L166-T169 PolarHBondContact O-N 3.19Å; L166-L170 HydrophobicContact CD1-CD1 3.74Å; L166-L170 HydrophobicContact CD1-CG 4.02Å; L166-L170 HydrophobicContact CD2-CD1 4.35Å; L166-L170 HydrophobicContact CG-CD1 3.53Å; L166-L170 HydrophobicContact CG-CG 4.27Å; L166-L170 WeakPolarHBondContact O-CB 3.1Å; L166-L170 VanDerWaalsContact O-CD1 3.24Å; L166-L170 WeakPolarHBondContact O-CD1 3.44Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.16Å
167Q56.1Low53.9Low10 Ų1088.7 Ų88.75%0.04743%0.425CS..Hα-helixtrans-59.9-47.8175.8-179.7173.9-7.100111.6V89 E106 R163 W164 R165 L170 L171V89-Q167 HydrophobicContact CG1-CB 4.2Å; V89-Q167 HydrophobicContact CG1-CG 4.2Å; V89-Q167 HydrophobicContact CG2-CB 4.06Å; V89-Q167 HydrophobicContact CG2-CG 3.71Å; E106-Q167 PolarHBondContact OE2-NE2 3.06Å; R163-Q167 VanDerWaalsContact O-CB 3.23Å; R163-Q167 WeakPolarHBondContact O-CB 3.17Å; R163-Q167 PolarHBondContact O-N 3.49Å; W164-Q167 CarbonylContact O-C 3.53Å; W164-Q167 WeakPolarHBondContact O-CA 3.44Å; W164-Q167 WeakPolarHBondContact O-CB 3.37Å; W164-Q167 PolarHBondContact O-N 3.01Å; W164-Q167 VanDerWaalsContact O-N 3.14Å; R165-Q167 VanDerWaalsContact C-N 3.31Å; R165-Q167 PolarHBondContact O-N 2.75Å; Q167-L170 PolarHBondContact O-N 2.9Å; Q167-L171 HydrophobicContact CG-CD1 3.78Å; Q167-L171 HydrophobicContact CG-CG 4.26Å; Q167-L171 WeakPolarHBondContact O-CB 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.42Å; Q167-L171 PolarHBondContact O-N 2.83Å
168Q61.1Low54.6Low51 Ų5192 Ų9224%0.23843%0.434CS..Hα-helixtrans-63.3-42.8174.9-63.5-58-24.900112.2W164 R165 L170 L171 G172W164-Q168 HydrophobicContact CD2-CG 3.91Å; W164-Q168 VanDerWaalsContact CE2-NE2 3.33Å; W164-Q168 HydrophobicContact CE3-CG 3.98Å; W164-Q168 HydrophobicContact CH2-CG 3.71Å; W164-Q168 HydrophobicContact CZ2-CG 3.62Å; W164-Q168 VanDerWaalsContact CZ2-NE2 3.31Å; W164-Q168 HydrophobicContact CZ3-CG 3.88Å; W164-Q168 WeakPolarHBondContact O-CG 3.28Å; W164-Q168 PolarHBondContact O-N 3.49Å; R165-Q168 PolarHBondContact O-N 3.19Å; Q168-L170 VanDerWaalsContact C-N 3.28Å; Q168-L170 PolarHBondContact O-N 2.95Å; Q168-L171 PolarHBondContact O-N 3.42Å; Q168-G172 PolarHBondContact O-N 2.85Å
169T63.7Low55.5Low102 Ų10286.8 Ų86.863%0.62642%0.417SS*.Hα-helixtrans-63.6-32175.6-59.20000112.5R165 L166 P173R165-T169 WeakPolarHBondContact O-CB 3.44Å; R165-T169 PolarHBondContact O-N 2.7Å; R165-T169 PolarHBondContact O-OG1 3.01Å; L166-T169 PolarHBondContact O-N 3.19Å; T169-P173 WeakPolarHBondContact O-CD 3.11Å
170L56.1Low55.8Low38 Ų3889.5 Ų89.520%0.19942%0.422CS..Hα-helixtrans-86.2-26.8179.2-70.9165.1000113.6K88 L166 Q167 Q168K88-L170 HydrophobicContact CB-CB 4.08Å; K88-L170 HydrophobicContact CB-CD1 3.94Å; K88-L170 HydrophobicContact CB-CD2 4.02Å; K88-L170 HydrophobicContact CB-CG 4.26Å; K88-L170 HydrophobicContact CD-CB 4.34Å; K88-L170 HydrophobicContact CD-CD2 4.37Å; K88-L170 HydrophobicContact CG-CD2 4.17Å; K88-L170 WeakPolarHBondContact O-CD1 3.2Å; L166-L170 HydrophobicContact CD1-CD1 3.74Å; L166-L170 HydrophobicContact CD1-CG 4.02Å; L166-L170 HydrophobicContact CD2-CD1 4.35Å; L166-L170 HydrophobicContact CG-CD1 3.53Å; L166-L170 HydrophobicContact CG-CG 4.27Å; L166-L170 WeakPolarHBondContact O-CB 3.1Å; L166-L170 VanDerWaalsContact O-CD1 3.24Å; L166-L170 WeakPolarHBondContact O-CD1 3.44Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.16Å; Q167-L170 PolarHBondContact O-N 2.9Å; Q168-L170 VanDerWaalsContact C-N 3.28Å; Q168-L170 PolarHBondContact O-N 2.95Å
171L55.8Low56.3Low12 Ų1288.4 Ų88.46%0.06341%0.414CS..Hα-helixtrans-77.4-28.5172.5-71.7175.1000111.6R110 Q167 Q168 L174R110-L171 HydrophobicContact CG-CD1 4.32Å; Q167-L171 HydrophobicContact CG-CD1 3.78Å; Q167-L171 HydrophobicContact CG-CG 4.26Å; Q167-L171 WeakPolarHBondContact O-CB 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.42Å; Q167-L171 PolarHBondContact O-N 2.83Å; Q168-L171 PolarHBondContact O-N 3.42Å; L171-L174 HydrophobicContact CD2-CD1 3.51Å; L171-L174 WeakPolarHBondContact O-CB 3.07Å; L171-L174 PolarHBondContact O-N 3.29Å
172G61.3Low56.6Low45 Ų4587.1 Ų87.146%0.46441%0.414SS..G310 helixtrans-54.5-48175.700000113.5Q168 L174Q168-G172 PolarHBondContact O-N 2.85Å; G172-L174 VanDerWaalsContact C-N 3.3Å; G172-L174 PolarHBondContact O-N 2.82Å
173P57.1Low56.7Low71 Ų7182.6 Ų82.646%0.46140%0.397SS..G310 helixtrans-79.40.4174-15.328.8000115.1T169 W175T169-P173 WeakPolarHBondContact O-CD 3.11Å; P173-W175 PolarHBondContact O-N 3Å
174L50.6Low56.6Low47 Ų4782.6 Ų82.625%0.24640%0.404CS..G310 helixtrans-72.7-14.1172.5-102.7151.3000111.8A85 L171 G172A85-L174 HydrophobicContact CB-CD1 4.08Å; L171-L174 HydrophobicContact CD2-CD1 3.51Å; L171-L174 WeakPolarHBondContact O-CB 3.07Å; L171-L174 PolarHBondContact O-N 3.29Å; G172-L174 VanDerWaalsContact C-N 3.3Å; G172-L174 PolarHBondContact O-N 2.82Å
175W52.9Low56.3Low124 Ų12482.2 Ų82.247%0.4741%0.41SS..  trans-121.16.5-176-56.7118.5000115.1R110 R114 P173R110-W175 WeakPolarHBondContact O-CZ2 3.36Å; R114-W175 HydrophobicContact CB-CH2 3.4Å; R114-W175 HydrophobicContact CB-CZ2 4.22Å; R114-W175 HydrophobicContact CB-CZ3 3.77Å; R114-W175 HydrophobicContact CG-CE3 4.16Å; R114-W175 HydrophobicContact CG-CH2 3.49Å; R114-W175 VanDerWaalsContact CG-CH2 3.49Å; R114-W175 HydrophobicContact CG-CZ3 3.26Å; P173-W175 PolarHBondContact O-N 3Å
176K39.7Very low55.9Low251 Ų25175.9 Ų75.9100%1.09140%0.395SS*.  trans-96.10161.5-73.3-171.7178.1-176.70108.6

Retrieved 176 of 176 residues in 246.4 ms (Link to these results)

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