G4VRL9_SCHMA Loading...

Putative apoptosis regulator bax

AlphaFold DB , UniProt , Accession G4VRL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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
1M39.6Very low61Low230 Ų230107.1 Ų107.1100%1.13367%0.671SS**  0104.90-73.8127.896.300105.3
2S52.6Low62.1Low126 Ų126108.8 Ų108.888%0.88167%0.665SS**  50.511479.4-46.60000109
3G55.2Low63.4Low61 Ų61108.5 Ų108.563%0.62966%0.657SS**  cis16395.45.700000104.4
4D56.3Low64.3Low163 Ų163104.7 Ų104.787%0.87264%0.638SS**  trans-127.579.2-174.4-78.5-28.9000109.6
5C59.2Low65.1Low101 Ų101106.3 Ų106.368%0.68264%0.638SS**  trans-140.8-9.4158.9-91.50000113.2V7 S8C5-V7 VanDerWaalsContact C-N 3.31Å; C5-V7 PolarHBondContact O-N 3.35Å; C5-S8 PolarHBondContact O-N 3.05Å; C5-S8 PolarHBondContact O-OG 3.21Å
6S61.1Low66Low86 Ų86106.1 Ų106.160%0.60163%0.631SS**Hα-helixtrans-66.2-29-173.8-480000114.2Q10S6-Q10 WeakPolarHBondContact O-CB 3.22Å; S6-Q10 WeakPolarHBondContact O-CG 3.41Å; S6-Q10 PolarHBondContact O-N 3.21Å
7V68.7Low66.7Low102 Ų102103.4 Ų103.462%0.61862%0.615SS**Hα-helixtrans-70.3-41.6-177.2-177.30000111.4C5 Q10 C11C5-V7 VanDerWaalsContact C-N 3.31Å; C5-V7 PolarHBondContact O-N 3.35Å; V7-Q10 PolarHBondContact O-N 3.13Å; V7-C11 PolarHBondContact O-N 3.11Å; V7-C11 PolarHBondContact O-SG 3.16Å; V7-C11 VanDerWaalsContact O-SG 3.36Å
8S69.2Low67.3Low69 Ų69105 Ų10548%0.48362%0.615SS.*Hα-helixtrans-61.5-48.7-179.459.30000112.5C5 Q10 C11 E12C5-S8 PolarHBondContact O-N 3.05Å; C5-S8 PolarHBondContact O-OG 3.21Å; S8-Q10 PolarHBondContact O-N 2.93Å; S8-C11 PolarHBondContact O-N 3.15Å; S8-E12 PolarHBondContact O-N 3.43Å
9G70.2Confident67.8Low35 Ų35105 Ų10536%0.36161%0.609SS.*Hα-helixtrans-66.7-33178.100000113.6D13G9-D13 WeakPolarHBondContact O-CB 3.3Å; G9-D13 PolarHBondContact O-N 3Å
10Q68.8Low68.5Low126 Ų126103.4 Ų103.459%0.58960%0.6SS**Hα-helixtrans-67.6-39.7173.1-78.6178-23.800112.2S6 V7 S8 S14S6-Q10 WeakPolarHBondContact O-CB 3.22Å; S6-Q10 WeakPolarHBondContact O-CG 3.41Å; S6-Q10 PolarHBondContact O-N 3.21Å; V7-Q10 PolarHBondContact O-N 3.13Å; S8-Q10 PolarHBondContact O-N 2.93Å; Q10-S14 WeakPolarHBondContact O-CB 3.49Å; Q10-S14 PolarHBondContact O-N 3.08Å; Q10-S14 PolarHBondContact O-OG 3.17Å
11C69.8Low69.2Low79 Ų79103.4 Ų103.453%0.53460%0.598SS.*Hα-helixtrans-67-41.6175.4-69.60000112V7 S8 M15V7-C11 PolarHBondContact O-N 3.11Å; V7-C11 PolarHBondContact O-SG 3.16Å; V7-C11 VanDerWaalsContact O-SG 3.36Å; S8-C11 PolarHBondContact O-N 3.15Å; C11-M15 VanDerWaalsContact O-CB 3.23Å; C11-M15 WeakPolarHBondContact O-CB 3.44Å; C11-M15 PolarHBondContact O-N 2.74Å
12E74.9Confident71.2Confident128 Ų12897.2 Ų97.260%0.59857%0.566SS**Hα-helixtrans-65.6-45.9175.8-72.9177.9138.500111.8S8 S14 M15 I16S8-E12 PolarHBondContact O-N 3.43Å; E12-S14 PolarHBondContact O-N 3.37Å; E12-M15 PolarHBondContact O-N 2.97Å; E12-I16 WeakPolarHBondContact O-CB 3.36Å; E12-I16 WeakPolarHBondContact O-CG1 3.2Å; E12-I16 PolarHBondContact O-N 2.69Å
13D78.2Confident72.9Confident104 Ų10494.7 Ų94.756%0.55654%0.543SS*.Hα-helixtrans-62.5-42.3176.3-171.960.4000111.5G9 M15 I16 T17G9-D13 WeakPolarHBondContact O-CB 3.3Å; G9-D13 PolarHBondContact O-N 3Å; D13-M15 PolarHBondContact O-N 3.18Å; D13-I16 PolarHBondContact O-N 2.91Å; D13-T17 WeakPolarHBondContact O-CB 3.45Å; D13-T17 VanDerWaalsContact O-CG2 3.23Å; D13-T17 WeakPolarHBondContact O-CG2 3.41Å; D13-T17 PolarHBondContact O-N 3.22Å; D13-T17 PolarHBondContact O-OG1 2.91Å
14S75.7Confident74.6Confident56 Ų5696.8 Ų96.839%0.39254%0.54SS..Hα-helixtrans-63.7-41.4174.2-57.70000111.8Q10 E12 T17 H18Q10-S14 WeakPolarHBondContact O-CB 3.49Å; Q10-S14 PolarHBondContact O-N 3.08Å; Q10-S14 PolarHBondContact O-OG 3.17Å; E12-S14 PolarHBondContact O-N 3.37Å; S14-T17 VanDerWaalsContact CA-OG1 3.3Å; S14-T17 WeakPolarHBondContact CA-OG1 3.4Å; S14-T17 PolarHBondContact O-OG1 3.37Å; S14-H18 WeakPolarHBondContact O-CB 3.44Å; S14-H18 PolarHBondContact O-CD2 3.06Å; S14-H18 PolarHBondContact O-N 3.45Å
15M77.1Confident76.3Confident129 Ų12994 Ų9464%0.63552%0.524SS*.Hα-helixtrans-67-43.4178.1-179.2177.5171.900111.7C11 E12 D13 Q19C11-M15 VanDerWaalsContact O-CB 3.23Å; C11-M15 WeakPolarHBondContact O-CB 3.44Å; C11-M15 PolarHBondContact O-N 2.74Å; E12-M15 PolarHBondContact O-N 2.97Å; D13-M15 PolarHBondContact O-N 3.18Å; M15-Q19 WeakPolarHBondContact O-CB 3.42Å; M15-Q19 PolarHBondContact O-N 2.92Å
16I78.9Confident77.9Confident103 Ų10390.6 Ų90.653%0.52850%0.498SS..Hα-helixtrans-64.4-47.3178.1-70.4166.7000110.2E12 D13 Q19 V20E12-I16 WeakPolarHBondContact O-CB 3.36Å; E12-I16 WeakPolarHBondContact O-CG1 3.2Å; E12-I16 PolarHBondContact O-N 2.69Å; D13-I16 PolarHBondContact O-N 2.91Å; I16-Q19 PolarHBondContact O-N 2.84Å; I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.17Å; I16-V20 PolarHBondContact O-N 3.47Å
17T79.1Confident79.5Confident60 Ų6088.8 Ų88.837%0.36848%0.483SS..Hα-helixtrans-61.2-48.3178.548.20000111.6D13 S14 Q19 V20 D21D13-T17 WeakPolarHBondContact O-CB 3.45Å; D13-T17 VanDerWaalsContact O-CG2 3.23Å; D13-T17 WeakPolarHBondContact O-CG2 3.41Å; D13-T17 PolarHBondContact O-N 3.22Å; D13-T17 PolarHBondContact O-OG1 2.91Å; S14-T17 VanDerWaalsContact CA-OG1 3.3Å; S14-T17 WeakPolarHBondContact CA-OG1 3.4Å; S14-T17 PolarHBondContact O-OG1 3.37Å; T17-Q19 VanDerWaalsContact C-N 3.3Å; T17-Q19 PolarHBondContact O-N 3.2Å; T17-V20 PolarHBondContact O-N 3.11Å; T17-D21 WeakPolarHBondContact O-CB 3.21Å; T17-D21 VanDerWaalsContact O-CG 3.28Å; T17-D21 PolarHBondContact O-N 2.95Å
18H76.9Confident80.7Confident132 Ų13289.1 Ų89.161%0.61148%0.48SS*.Hα-helixtrans-58.9-39.3175.9-81.3-57.2000113.3S14 E22S14-H18 WeakPolarHBondContact O-CB 3.44Å; S14-H18 PolarHBondContact O-CD2 3.06Å; S14-H18 PolarHBondContact O-N 3.45Å; H18-E22 WeakPolarHBondContact O-CB 3.26Å; H18-E22 PolarHBondContact O-N 2.82Å
19Q76.2Confident81.9Confident105 Ų10589.5 Ų89.549%0.49147%0.473SS..Hα-helixtrans-70.9-40.7178.9-173178.7-24.100112.2M15 I16 T17 E22 D23M15-Q19 WeakPolarHBondContact O-CB 3.42Å; M15-Q19 PolarHBondContact O-N 2.92Å; I16-Q19 PolarHBondContact O-N 2.84Å; T17-Q19 VanDerWaalsContact C-N 3.3Å; T17-Q19 PolarHBondContact O-N 3.2Å; Q19-E22 PolarHBondContact O-N 3.01Å; Q19-D23 PolarHBondContact O-N 3.07Å
20V81.6Confident83.1Confident73 Ų7387.8 Ų87.844%0.44246%0.456SS..Hα-helixtrans-61.4-45.7175.1169.70000110.4I16 T17 E22 D23 D24I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.17Å; I16-V20 PolarHBondContact O-N 3.47Å; T17-V20 PolarHBondContact O-N 3.11Å; V20-E22 VanDerWaalsContact C-N 3.29Å; V20-E22 PolarHBondContact O-N 3.36Å; V20-D23 PolarHBondContact O-N 3.23Å; V20-D24 WeakPolarHBondContact O-CB 3.42Å; V20-D24 PolarHBondContact O-N 3.14Å
21D83.2Confident84.4Confident103 Ų10385.2 Ų85.255%0.55144%0.444SS*.Hα-helixtrans-62.3-37.2177.6-69.9-28.3000112T17 L25T17-D21 WeakPolarHBondContact O-CB 3.21Å; T17-D21 VanDerWaalsContact O-CG 3.28Å; T17-D21 PolarHBondContact O-N 2.95Å; D21-L25 VanDerWaalsContact O-CB 3.32Å; D21-L25 WeakPolarHBondContact O-CB 3.12Å; D21-L25 PolarHBondContact O-N 3.1Å
22E82.7Confident85.6Confident100 Ų10084 Ų8447%0.46743%0.434SS..Hα-helixtrans-69.4-46.9177.1-168-177.7162.300111.8H18 Q19 V20 D24 L25 K26H18-E22 WeakPolarHBondContact O-CB 3.26Å; H18-E22 PolarHBondContact O-N 2.82Å; Q19-E22 PolarHBondContact O-N 3.01Å; V20-E22 VanDerWaalsContact C-N 3.29Å; V20-E22 PolarHBondContact O-N 3.36Å; E22-D24 VanDerWaalsContact C-N 3.31Å; E22-D24 PolarHBondContact O-N 3.15Å; E22-L25 PolarHBondContact O-N 3.22Å; E22-K26 HydrophobicContact CG-CD 4.17Å; E22-K26 WeakPolarHBondContact O-CB 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.42Å; E22-K26 PolarHBondContact O-N 3.4Å; E22-K26 WeakPolarHBondContact OE1-CE 3.31Å; E22-K26 IonicContact OE1-NZ 2.77Å; E22-K26 PolarHBondContact OE1-NZ 3.23Å
23D88.1Confident86.7Confident74 Ų7478 Ų7840%0.39641%0.406SS..Hα-helixtrans-63.4-37.6178.4-76.7-22.8000111.8Q19 V20 T27Q19-D23 PolarHBondContact O-N 3.07Å; V20-D23 PolarHBondContact O-N 3.23Å; D23-T27 WeakPolarHBondContact O-CB 3.43Å; D23-T27 PolarHBondContact O-N 2.96Å; D23-T27 PolarHBondContact O-OG1 3.36Å
24D90.5Very high87.6Confident104 Ų10473 Ų7356%0.55638%0.38SS*.Hα-helixtrans-66.1-42.4174.1-80.5-8.5000111.5V20 E22 T27 M28V20-D24 WeakPolarHBondContact O-CB 3.42Å; V20-D24 PolarHBondContact O-N 3.14Å; E22-D24 VanDerWaalsContact C-N 3.31Å; E22-D24 PolarHBondContact O-N 3.15Å; D24-T27 PolarHBondContact O-N 3.45Å; D24-M28 WeakPolarHBondContact O-CB 3.3Å; D24-M28 PolarHBondContact O-N 3.19Å
25L91.2Very high88.5Confident105 Ų10574.9 Ų74.955%0.5538%0.382SS..Hα-helixtrans-62.6-44.6176179.261.1000111.8D21 E22 T27 M28 E29D21-L25 VanDerWaalsContact O-CB 3.32Å; D21-L25 WeakPolarHBondContact O-CB 3.12Å; D21-L25 PolarHBondContact O-N 3.1Å; E22-L25 PolarHBondContact O-N 3.22Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.22Å; L25-M28 HydrophobicContact CD1-CE 3.6Å; L25-M28 PolarHBondContact O-N 2.93Å; L25-E29 WeakPolarHBondContact O-CB 3.28Å; L25-E29 PolarHBondContact O-N 3.14Å
26K93.2Very high89.4Confident29 Ų2970.1 Ų70.113%0.12636%0.359CS..Hα-helixtrans-62.4-39.6177.4-69.5174.1168.5174.50111.9E22 T30 F151 Y156 E160E22-K26 HydrophobicContact CG-CD 4.17Å; E22-K26 WeakPolarHBondContact O-CB 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.42Å; E22-K26 PolarHBondContact O-N 3.4Å; E22-K26 WeakPolarHBondContact OE1-CE 3.31Å; E22-K26 IonicContact OE1-NZ 2.77Å; E22-K26 PolarHBondContact OE1-NZ 3.23Å; K26-T30 WeakPolarHBondContact O-CB 3.24Å; K26-T30 PolarHBondContact O-N 3Å; K26-T30 VanDerWaalsContact O-N 3.07Å; K26-T30 PolarHBondContact O-OG1 3.45Å; K26-F151 HydrophobicContact CB-CE1 4.47Å; K26-F151 HydrophobicContact CB-CZ 4.38Å; K26-Y156 HydrophobicContact CB-CE1 4.27Å; K26-Y156 HydrophobicContact CB-CE2 4.12Å; K26-Y156 WeakPolarHBondContact CB-OH 3.28Å; K26-Y156 HydrophobicContact CD-CE1 3.77Å; K26-Y156 VanDerWaalsContact CD-OH 3.26Å; K26-Y156 WeakPolarHBondContact CD-OH 3.4Å; K26-Y156 HydrophobicContact CG-CE1 4.3Å; K26-Y156 WeakPolarHBondContact CG-OH 3.22Å; K26-E160 WeakPolarHBondContact CE-OE1 3.34Å; K26-E160 IonicContact NZ-OE1 3.51Å; K26-E160 PolarHBondContact NZ-OE1 2.93Å
27T94.7Very high90.2Very high48 Ų4865.2 Ų65.229%0.29433%0.333SS..Hα-helixtrans-65.8-47.1176.1-59.60000110.8D23 D24 L25 T30 E31 V147 F151D23-T27 WeakPolarHBondContact O-CB 3.43Å; D23-T27 PolarHBondContact O-N 2.96Å; D23-T27 PolarHBondContact O-OG1 3.36Å; D24-T27 PolarHBondContact O-N 3.45Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.22Å; T27-T30 PolarHBondContact O-N 3.19Å; T27-E31 WeakPolarHBondContact O-CB 3.35Å; T27-E31 PolarHBondContact O-N 3.08Å; T27-V147 HydrophobicContact CG2-CG1 4.11Å; T27-F151 HydrophobicContact CG2-CE2 4.38Å
28M94Very high91.1Very high110 Ų11062.6 Ų62.654%0.54232%0.317SS..Hα-helixtrans-63.5-41.1178.1-176.9178.760.100112.6D24 L25 E31 T32D24-M28 WeakPolarHBondContact O-CB 3.3Å; D24-M28 PolarHBondContact O-N 3.19Å; L25-M28 HydrophobicContact CD1-CE 3.6Å; L25-M28 PolarHBondContact O-N 2.93Å; M28-E31 PolarHBondContact O-N 3.3Å; M28-T32 WeakPolarHBondContact O-CB 2.97Å; M28-T32 PolarHBondContact O-N 2.87Å; M28-T32 PolarHBondContact O-OG1 3.29Å
29E94.1Very high91.9Very high76 Ų7658.9 Ų58.936%0.35530%0.298SS..Hα-helixtrans-59.7-49.9174.5-172.8-16217500110.4L25 E31 T32 I33L25-E29 WeakPolarHBondContact O-CB 3.28Å; L25-E29 PolarHBondContact O-N 3.14Å; E29-E31 PolarHBondContact O-N 3.26Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.46Å; E29-I33 HydrophobicContact CG-CD1 3.93Å; E29-I33 WeakPolarHBondContact O-CD1 3.48Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.3Å; E29-I33 PolarHBondContact O-N 3.06Å
30T96.4Very high92.7Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-62.3-42.9180-59.90000111.6K26 T27 I33 V34 V147 V150 F151 W165K26-T30 WeakPolarHBondContact O-CB 3.24Å; K26-T30 PolarHBondContact O-N 3Å; K26-T30 VanDerWaalsContact O-N 3.07Å; K26-T30 PolarHBondContact O-OG1 3.45Å; T27-T30 PolarHBondContact O-N 3.19Å; T30-I33 PolarHBondContact O-N 3.31Å; T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.31Å; T30-V34 PolarHBondContact O-N 3.39Å; T30-V147 HydrophobicContact CG2-CG1 4.47Å; T30-V147 HydrophobicContact CG2-CG2 4.48Å; T30-V150 HydrophobicContact CG2-CB 4.46Å; T30-V150 HydrophobicContact CG2-CG1 3.95Å; T30-F151 HydrophobicContact CG2-CE2 3.93Å; T30-W165 HydrophobicContact CG2-CZ2 3.71Å; T30-W165 PolarHBondContact OG1-NE1 3.11Å; T30-W165 VanDerWaalsContact OG1-NE1 3.15Å
31E96.3Very high93.4Very high71 Ų7153.8 Ų53.833%0.33227%0.271SS..Hα-helixtrans-61.3-46.9175.6-176.3166.2-167.300111.6T27 M28 E29 I33 V34 E35 I143 V147T27-E31 WeakPolarHBondContact O-CB 3.35Å; T27-E31 PolarHBondContact O-N 3.08Å; M28-E31 PolarHBondContact O-N 3.3Å; E29-E31 PolarHBondContact O-N 3.26Å; E31-I33 VanDerWaalsContact C-N 3.29Å; E31-I33 PolarHBondContact O-N 3.1Å; E31-V34 PolarHBondContact O-N 3Å; E31-E35 WeakPolarHBondContact O-CB 3.22Å; E31-E35 PolarHBondContact O-N 3.09Å; E31-I143 HydrophobicContact CG-CG2 4.09Å; E31-V147 HydrophobicContact CB-CG2 3.89Å; E31-V147 HydrophobicContact CG-CG2 4.25Å
32T95.1Very high93.9Very high54 Ų5451 Ų5133%0.33126%0.256SS..Hα-helixtrans-57.7-43.3176.4-59.30000111.3M28 E29 E35 E36M28-T32 WeakPolarHBondContact O-CB 2.97Å; M28-T32 PolarHBondContact O-N 2.87Å; M28-T32 PolarHBondContact O-OG1 3.29Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.46Å; T32-E35 PolarHBondContact O-N 2.9Å; T32-E36 HydrophobicContact CG2-CG 4.39Å; T32-E36 VanDerWaalsContact O-CB 3.31Å; T32-E36 WeakPolarHBondContact O-CB 3.35Å; T32-E36 WeakPolarHBondContact O-CG 3.38Å; T32-E36 PolarHBondContact O-N 3.39Å
33I96.5Very high94.3Very high2 Ų249.1 Ų49.11%0.0125%0.246CC..Hα-helixtrans-63.8-47180-72.3161.6000111.3E29 T30 E31 F37 L63 I64 L67 F120 W165E29-I33 HydrophobicContact CG-CD1 3.93Å; E29-I33 WeakPolarHBondContact O-CD1 3.48Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.3Å; E29-I33 PolarHBondContact O-N 3.06Å; T30-I33 PolarHBondContact O-N 3.31Å; E31-I33 VanDerWaalsContact C-N 3.29Å; E31-I33 PolarHBondContact O-N 3.1Å; I33-F37 VanDerWaalsContact O-CB 3.28Å; I33-F37 WeakPolarHBondContact O-CB 3.47Å; I33-F37 PolarHBondContact O-N 3.24Å; I33-L63 HydrophobicContact CD1-CD2 3.65Å; I33-L63 HydrophobicContact CG1-CD2 3.91Å; I33-I64 HydrophobicContact CB-CD1 4.23Å; I33-I64 HydrophobicContact CG1-CD1 4.42Å; I33-I64 HydrophobicContact CG2-CD1 3.89Å; I33-I64 VanDerWaalsContact O-CD1 3.3Å; I33-I64 WeakPolarHBondContact O-CD1 3.48Å; I33-L67 HydrophobicContact CG2-CD1 3.82Å; I33-F120 HydrophobicContact CG2-CE2 4.32Å; I33-W165 HydrophobicContact CD1-CB 3.6Å; I33-W165 HydrophobicContact CD1-CD2 3.88Å; I33-W165 HydrophobicContact CD1-CG 3.32Å
34V97.2Very high94.4Very high0 Ų049.4 Ų49.40%025%0.245CC..Hα-helixtrans-64.9-45.2179.6174.60000110.6T30 E31 F37 V38 F120 I143 V146 V147T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.31Å; T30-V34 PolarHBondContact O-N 3.39Å; E31-V34 PolarHBondContact O-N 3Å; V34-F37 PolarHBondContact O-N 2.92Å; V34-V38 HydrophobicContact CG1-CG2 4.45Å; V34-V38 WeakPolarHBondContact O-CB 3.43Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.3Å; V34-V38 PolarHBondContact O-N 3.07Å; V34-F120 HydrophobicContact CG2-CD1 4.32Å; V34-F120 HydrophobicContact CG2-CE1 3.71Å; V34-F120 HydrophobicContact CG2-CE2 4.34Å; V34-F120 HydrophobicContact CG2-CZ 3.71Å; V34-I143 HydrophobicContact CB-CG2 4.46Å; V34-I143 HydrophobicContact CG1-CG1 4.45Å; V34-I143 HydrophobicContact CG1-CG2 4.1Å; V34-V146 HydrophobicContact CG1-CB 4Å; V34-V146 HydrophobicContact CG1-CG1 3.83Å; V34-V146 HydrophobicContact CG1-CG2 4.41Å; V34-V146 HydrophobicContact CG2-CG1 3.79Å; V34-V147 HydrophobicContact CG2-CG2 4.41Å
35E96.1Very high94.2Very high95 Ų9548.4 Ų48.444%0.44425%0.246SC..Hα-helixtrans-60.5-50178.5-178.1176.9170.200111.3E31 T32 F37 V38 R39 I143E31-E35 WeakPolarHBondContact O-CB 3.22Å; E31-E35 PolarHBondContact O-N 3.09Å; T32-E35 PolarHBondContact O-N 2.9Å; E35-F37 VanDerWaalsContact C-N 3.35Å; E35-F37 PolarHBondContact O-N 3.28Å; E35-V38 PolarHBondContact O-N 3.15Å; E35-R39 VanDerWaalsContact O-CB 3.23Å; E35-R39 WeakPolarHBondContact O-CB 3.48Å; E35-R39 PolarHBondContact O-N 3.08Å; E35-I143 HydrophobicContact CB-CD1 4.13Å; E35-I143 HydrophobicContact CB-CG2 4.47Å; E35-I143 HydrophobicContact CG-CD1 4.04Å
36E94.8Very high94Very high29 Ų2946.6 Ų46.614%0.13625%0.246CC..Hα-helixtrans-65-39-178.8-77.4-68.4116.300112.1T32 R39 L40 I64T32-E36 HydrophobicContact CG2-CG 4.39Å; T32-E36 VanDerWaalsContact O-CB 3.31Å; T32-E36 WeakPolarHBondContact O-CB 3.35Å; T32-E36 WeakPolarHBondContact O-CG 3.38Å; T32-E36 PolarHBondContact O-N 3.39Å; E36-R39 PolarHBondContact O-N 2.91Å; E36-R39 IonicContact OE1-CZ 3.69Å; E36-R39 IonicContact OE1-NE 3.58Å; E36-R39 PolarHBondContact OE1-NE 2.6Å; E36-R39 IonicContact OE1-NH2 2.79Å; E36-R39 PolarHBondContact OE1-NH2 2.82Å; E36-R39 IonicContact OE2-CZ 2.65Å; E36-R39 IonicContact OE2-NE 3.68Å; E36-R39 PolarHBondContact OE2-NE 3.28Å; E36-R39 IonicContact OE2-NH2 3.94Å; E36-R39 PolarHBondContact OE2-NH2 3.45Å; E36-L40 WeakPolarHBondContact O-CB 3.37Å; E36-L40 WeakPolarHBondContact O-CG 3.14Å; E36-L40 PolarHBondContact O-N 3.05Å; E36-I64 HydrophobicContact CB-CD1 3.96Å; E36-I64 HydrophobicContact CB-CG1 4.06Å; E36-I64 HydrophobicContact CB-CG2 4.49Å
37F96.9Very high93.3Very high0 Ų048.2 Ų48.20%027%0.271CS..Hα-helixtrans-59-51.5172.1177.9-86.7000111.2I33 V34 E35 R39 L40 K41 L67 I68 V117 F120 M121 V124I33-F37 VanDerWaalsContact O-CB 3.28Å; I33-F37 WeakPolarHBondContact O-CB 3.47Å; I33-F37 PolarHBondContact O-N 3.24Å; V34-F37 PolarHBondContact O-N 2.92Å; E35-F37 VanDerWaalsContact C-N 3.35Å; E35-F37 PolarHBondContact O-N 3.28Å; F37-R39 PolarHBondContact O-N 3.48Å; F37-L40 PolarHBondContact O-N 3.41Å; F37-K41 HydrophobicContact CD1-CG 4.32Å; F37-K41 HydrophobicContact CE1-CG 3.88Å; F37-K41 HydrophobicContact CE2-CG 4.45Å; F37-K41 HydrophobicContact CZ-CD 4.4Å; F37-K41 HydrophobicContact CZ-CG 3.96Å; F37-K41 PolarHBondContact O-N 3.43Å; F37-L67 HydrophobicContact CD2-CB 3.74Å; F37-L67 HydrophobicContact CE2-CB 3.98Å; F37-I68 HydrophobicContact CD2-CD1 3.78Å; F37-I68 HydrophobicContact CD2-CG1 4.35Å; F37-I68 HydrophobicContact CE2-CD1 3.88Å; F37-I68 HydrophobicContact CG-CD1 4.4Å; F37-V117 HydrophobicContact CZ-CG1 4.46Å; F37-F120 HydrophobicContact CD1-CB 3.65Å; F37-F120 HydrophobicContact CD1-CD2 4.42Å; F37-F120 HydrophobicContact CD1-CG 4.45Å; F37-F120 HydrophobicContact CE1-CB 3.46Å; F37-F120 VanDerWaalsContact CE1-CB 3.46Å; F37-F120 HydrophobicContact CG-CB 4.33Å; F37-F120 HydrophobicContact CG-CD2 4.29Å; F37-F120 HydrophobicContact CZ-CB 3.97Å; F37-M121 HydrophobicContact CZ-CG 4.27Å; F37-V124 HydrophobicContact CD1-CG2 4.01Å; F37-V124 HydrophobicContact CE1-CG2 3.72Å
38V96.6Very high92.1Very high5 Ų550 Ų503%0.0328%0.278CS..Hα-helixtrans-60-48.1179.4170.10000110.3V34 E35 L40 K41 L42 V124 V127V34-V38 HydrophobicContact CG1-CG2 4.45Å; V34-V38 WeakPolarHBondContact O-CB 3.43Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.3Å; V34-V38 PolarHBondContact O-N 3.07Å; E35-V38 PolarHBondContact O-N 3.15Å; V38-L40 VanDerWaalsContact C-N 3.33Å; V38-L40 PolarHBondContact O-N 3.49Å; V38-K41 PolarHBondContact O-N 3.08Å; V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.26Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.12Å; V38-L42 PolarHBondContact O-N 2.97Å; V38-V124 HydrophobicContact CB-CG2 4.28Å; V38-V124 HydrophobicContact CG1-CG2 4.46Å; V38-V124 HydrophobicContact CG2-CG2 3.91Å; V38-V127 HydrophobicContact CG1-CB 4.45Å; V38-V127 HydrophobicContact CG1-CG1 4.42Å; V38-V127 HydrophobicContact CG1-CG2 4.25Å
39R94.4Very high90.3Very high54 Ų5452.3 Ų52.320%0.20429%0.29CS..Hα-helixtrans-57.1-43.7179.8-169.2-172.864.162.2-13.1112E35 E36 F37 K43E35-R39 VanDerWaalsContact O-CB 3.23Å; E35-R39 WeakPolarHBondContact O-CB 3.48Å; E35-R39 PolarHBondContact O-N 3.08Å; E36-R39 PolarHBondContact O-N 2.91Å; E36-R39 IonicContact OE1-CZ 3.69Å; E36-R39 IonicContact OE1-NE 3.58Å; E36-R39 PolarHBondContact OE1-NE 2.6Å; E36-R39 IonicContact OE1-NH2 2.79Å; E36-R39 PolarHBondContact OE1-NH2 2.82Å; E36-R39 IonicContact OE2-CZ 2.65Å; E36-R39 IonicContact OE2-NE 3.68Å; E36-R39 PolarHBondContact OE2-NE 3.28Å; E36-R39 IonicContact OE2-NH2 3.94Å; E36-R39 PolarHBondContact OE2-NH2 3.45Å; F37-R39 PolarHBondContact O-N 3.48Å; R39-K43 WeakPolarHBondContact O-CG 3.3Å; R39-K43 PolarHBondContact O-N 3.24Å; R39-K43 VanDerWaalsContact O-N 3.12Å
40L93.7Very high88.2Confident55 Ų5554.5 Ų54.529%0.28830%0.301SS..Hα-helixtrans-71.9-39.9179.5-72.3-179.1000112.6E36 F37 V38 L42 K43 Q44 I64 I68E36-L40 WeakPolarHBondContact O-CB 3.37Å; E36-L40 WeakPolarHBondContact O-CG 3.14Å; E36-L40 PolarHBondContact O-N 3.05Å; F37-L40 PolarHBondContact O-N 3.41Å; V38-L40 VanDerWaalsContact C-N 3.33Å; V38-L40 PolarHBondContact O-N 3.49Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 2.98Å; L40-K43 PolarHBondContact O-N 3.37Å; L40-Q44 WeakPolarHBondContact O-CB 3.28Å; L40-Q44 PolarHBondContact O-N 3.44Å; L40-I64 HydrophobicContact CD1-CG2 3.4Å; L40-I64 HydrophobicContact CG-CG2 4.49Å; L40-I68 HydrophobicContact CB-CD1 3.98Å; L40-I68 HydrophobicContact CB-CG1 4.37Å; L40-I68 HydrophobicContact CD1-CG1 4.41Å
41K94.9Very high86.1Confident16 Ų1666 Ų667%0.0734%0.344CS..Hα-helixtrans-64.5-37.3174.3-70.1-67.2-68.8-162.50112.3F37 V38 Q44 S45 I68 S71 N72 E75 V124F37-K41 HydrophobicContact CD1-CG 4.32Å; F37-K41 HydrophobicContact CE1-CG 3.88Å; F37-K41 HydrophobicContact CE2-CG 4.45Å; F37-K41 HydrophobicContact CZ-CD 4.4Å; F37-K41 HydrophobicContact CZ-CG 3.96Å; F37-K41 PolarHBondContact O-N 3.43Å; V38-K41 PolarHBondContact O-N 3.08Å; K41-Q44 PolarHBondContact O-N 2.92Å; K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.5Å; K41-I68 HydrophobicContact CD-CD1 3.53Å; K41-I68 HydrophobicContact CG-CD1 3.5Å; K41-I68 VanDerWaalsContact CG-CD1 3.5Å; K41-S71 WeakPolarHBondContact CD-OG 3.41Å; K41-S71 PolarHBondContact NZ-OG 3.42Å; K41-N72 PolarHBondContact NZ-OD1 3.38Å; K41-E75 IonicContact NZ-OE2 2.6Å; K41-V124 HydrophobicContact CB-CB 4.37Å; K41-V124 HydrophobicContact CB-CG1 3.67Å; K41-V124 HydrophobicContact CB-CG2 3.75Å; K41-V124 HydrophobicContact CG-CG1 4.46Å; K41-V124 HydrophobicContact CG-CG2 4.01Å
42L93.9Very high83.8Confident45 Ų4571.8 Ų71.824%0.23636%0.363CS..Hα-helixtrans-62.6-43.9173.5-70178.6000111.7V38 L40 S45 A46 V127 I128 I131V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.26Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.12Å; V38-L42 PolarHBondContact O-N 2.97Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 2.98Å; L42-S45 PolarHBondContact O-N 2.84Å; L42-A46 WeakPolarHBondContact O-CB 3.38Å; L42-A46 PolarHBondContact O-N 3.3Å; L42-V127 HydrophobicContact CD1-CG1 3.79Å; L42-V127 HydrophobicContact CD2-CG1 4.17Å; L42-I128 HydrophobicContact CD2-CD1 4.16Å; L42-I128 HydrophobicContact CD2-CG1 3.34Å; L42-I131 HydrophobicContact CD1-CD1 4.27Å; L42-I131 HydrophobicContact CD2-CD1 4.42Å
43K92Very high81.5Confident60 Ų6079.6 Ų79.626%0.26139%0.386SS..Hα-helixtrans-62.5-42.4175-76.6-178.4177.8-179.90112.3R39 L40 A46 G47 I48R39-K43 WeakPolarHBondContact O-CG 3.3Å; R39-K43 PolarHBondContact O-N 3.24Å; R39-K43 VanDerWaalsContact O-N 3.12Å; L40-K43 PolarHBondContact O-N 3.37Å; K43-A46 PolarHBondContact O-N 2.78Å; K43-G47 PolarHBondContact O-N 3.33Å; K43-I48 CarbonylContact C-O 3.31Å; K43-I48 CarbonylContact O-C 3.58Å; K43-I48 WeakPolarHBondContact O-CA 3.16Å; K43-I48 PolarHBondContact O-N 3.28Å
44Q89.7Confident79.4Confident80 Ų8081.9 Ų81.937%0.37440%0.401SS..Hα-helixtrans-60.9-44.7175.2-171.2-175.112.300111.2L40 K41 A46 G47 N72L40-Q44 WeakPolarHBondContact O-CB 3.28Å; L40-Q44 PolarHBondContact O-N 3.44Å; K41-Q44 PolarHBondContact O-N 2.92Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; Q44-A46 PolarHBondContact O-N 3.41Å; Q44-G47 PolarHBondContact O-N 3.16Å; Q44-G47 VanDerWaalsContact O-N 3.12Å; Q44-N72 PolarHBondContact NE2-ND2 3.37Å; Q44-N72 PolarHBondContact NE2-OD1 2.83Å; Q44-N72 PolarHBondContact OE1-OD1 3.46Å
45S87.2Confident77.4Confident83 Ų8388.3 Ų88.358%0.5845%0.446SS*.Hα-helixtrans-63.8-36.9177.3-171.60000112.6K41 L42 G47K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.5Å; L42-S45 PolarHBondContact O-N 2.84Å; S45-G47 PolarHBondContact O-N 2.91Å
46A86.1Confident75.7Confident67 Ų6785.9 Ų85.955%0.55444%0.437SS*.THydrogen-bonded Turntrans-73.11.5175.300000114.1L42 K43 Q44 I48L42-A46 WeakPolarHBondContact O-CB 3.38Å; L42-A46 PolarHBondContact O-N 3.3Å; K43-A46 PolarHBondContact O-N 2.78Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; Q44-A46 PolarHBondContact O-N 3.41Å; A46-I48 HydrophobicContact CB-CD1 4.08Å; A46-I48 HydrophobicContact CB-CG1 4.06Å; A46-I48 PolarHBondContact O-N 3.41Å
47G78.9Confident75.1Confident63 Ų6389.4 Ų89.465%0.64946%0.457SS*.THydrogen-bonded Turntrans70.86.9-173.400000114K43 Q44 S45 I49K43-G47 PolarHBondContact O-N 3.33Å; Q44-G47 PolarHBondContact O-N 3.16Å; Q44-G47 VanDerWaalsContact O-N 3.12Å; S45-G47 PolarHBondContact O-N 2.91Å; G47-I49 PolarHBondContact O-N 3.31Å
48I70.1Confident74.5Confident86 Ų8696.8 Ų96.844%0.44149%0.494SS..  trans-90.178.6179.9-53.7174.5000108K43 A46 Q50K43-I48 CarbonylContact C-O 3.31Å; K43-I48 CarbonylContact O-C 3.58Å; K43-I48 WeakPolarHBondContact O-CA 3.16Å; K43-I48 PolarHBondContact O-N 3.28Å; A46-I48 HydrophobicContact CB-CD1 4.08Å; A46-I48 HydrophobicContact CB-CG1 4.06Å; A46-I48 PolarHBondContact O-N 3.41Å; I48-Q50 HydrophobicContact CG2-CB 4.14Å; I48-Q50 HydrophobicContact CG2-CG 3.92Å; I48-Q50 PolarHBondContact O-N 2.83Å
49I55.9Low74Confident157 Ų157101.5 Ų101.581%0.80552%0.515SS*.  trans-76.278.5164.8-54.6176.1000107.4G47G47-I49 PolarHBondContact O-N 3.31Å
50Q49.3Very low73.8Confident123 Ų123100.7 Ų100.758%0.57552%0.516SS*.  trans-100.8112.7165.3-83.7-169.8-7.700109.9I48 R52I48-Q50 HydrophobicContact CG2-CB 4.14Å; I48-Q50 HydrophobicContact CG2-CG 3.92Å; I48-Q50 PolarHBondContact O-N 2.83Å; Q50-R52 PolarHBondContact O-N 3.29Å
51R52.9Low73.6Confident240 Ų240101.8 Ų101.891%0.90652%0.52SS*.  trans-75.360.4161.8-163.3178.9-168.5166.24.4109.5R53R51-R53 PolarHBondContact O-N 3.15Å
52R46.7Very low73.5Confident193 Ų193103.3 Ų103.373%0.72854%0.535SS*.  trans-76.2113.1167.3-170.7172.6-177167.1-0.5106.9Q50 T54Q50-R52 PolarHBondContact O-N 3.29Å; R52-T54 PolarHBondContact O-N 3.25Å
53R47.6Very low73.6Confident218 Ų218101.2 Ų101.282%0.82353%0.525SS*.  trans-62.4102.8171.9-64.2179.4-178.4172.4-0.6107.5R51R51-R53 PolarHBondContact O-N 3.15Å
54T52.7Low73.8Confident51 Ų5198.6 Ų98.631%0.31351%0.513SS..  trans-73.9155.3164.147.50000107.8R52 T56 Q61R52-T54 PolarHBondContact O-N 3.25Å; T54-T56 PolarHBondContact O-N 3.42Å; T54-T56 PolarHBondContact OG1-OG1 3.1Å; T54-Q61 PolarHBondContact O-NE2 3.26Å
55S55.1Low74Confident135 Ų13596.2 Ų96.294%0.94451%0.51SS*.SBendtrans-7426.7-177.255.20000113.9
56T61.3Low74.4Confident44 Ų4495.4 Ų95.427%0.2750%0.495SS..  trans-74.8152.1174.245.40000110.6T54 Q61T54-T56 PolarHBondContact O-N 3.42Å; T54-T56 PolarHBondContact OG1-OG1 3.1Å; T56-Q61 PolarHBondContact O-NE2 3Å; T56-Q61 VanDerWaalsContact OG1-CG 3.29Å; T56-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T56-Q61 PolarHBondContact OG1-NE2 3.39Å
57D80.9Confident74.9Confident102 Ų10292.2 Ų92.255%0.54547%0.468SS..  trans-55.3147.6175.9-177.170.2000111.4E59 T60 Q61D57-E59 PolarHBondContact O-N 3.21Å; D57-E59 WeakPolarHBondContact OD2-CB 3.11Å; D57-E59 PolarHBondContact OD2-N 3.49Å; D57-T60 PolarHBondContact O-N 3.09Å; D57-T60 VanDerWaalsContact O-N 3.17Å; D57-Q61 PolarHBondContact O-N 3.37Å; D57-Q61 VanDerWaalsContact O-N 3.08Å
58M83.8Confident75.7Confident156 Ų15690.3 Ų90.377%0.76844%0.443SS*.Hα-helixtrans-57.9-33.9-177.2-169.1-178.6-4300112Q61 A62M58-Q61 PolarHBondContact O-N 2.98Å; M58-A62 PolarHBondContact O-N 2.69Å
59E87.5Confident76.9Confident103 Ų10391.4 Ų91.448%0.48145%0.446SS..Hα-helixtrans-69.5-46.1178-170172.8-13200111.4D57 Q61 A62 L63 V166D57-E59 PolarHBondContact O-N 3.21Å; D57-E59 WeakPolarHBondContact OD2-CB 3.11Å; D57-E59 PolarHBondContact OD2-N 3.49Å; E59-Q61 PolarHBondContact O-N 3.01Å; E59-A62 PolarHBondContact O-N 3.46Å; E59-A62 VanDerWaalsContact O-N 3.15Å; E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 PolarHBondContact O-N 2.94Å; E59-V166 VanDerWaalsContact CD-CG1 3.44Å; E59-V166 HydrophobicContact CG-CB 4.3Å; E59-V166 HydrophobicContact CG-CG1 3.6Å
60T89.8Confident78.8Confident38 Ų3884 Ų8423%0.23341%0.408CS..Hα-helixtrans-57.6-40.5174.4-48.30000110.7D57 L63 I64D57-T60 PolarHBondContact O-N 3.09Å; D57-T60 VanDerWaalsContact O-N 3.17Å; T60-L63 WeakPolarHBondContact O-CB 3.45Å; T60-L63 PolarHBondContact O-N 2.98Å; T60-I64 HydrophobicContact CG2-CG1 4.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.46Å; T60-I64 PolarHBondContact O-N 3.22Å
61Q89.9Confident81Confident77 Ų7778.1 Ų78.136%0.3638%0.381SS..Hα-helixtrans-65.4-42.7177.4-67.8-177.32.100112.9T54 T56 D57 M58 E59 G65T54-Q61 PolarHBondContact O-NE2 3.26Å; T56-Q61 PolarHBondContact O-NE2 3Å; T56-Q61 VanDerWaalsContact OG1-CG 3.29Å; T56-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T56-Q61 PolarHBondContact OG1-NE2 3.39Å; D57-Q61 PolarHBondContact O-N 3.37Å; D57-Q61 VanDerWaalsContact O-N 3.08Å; M58-Q61 PolarHBondContact O-N 2.98Å; E59-Q61 PolarHBondContact O-N 3.01Å; Q61-G65 PolarHBondContact O-N 2.9Å
62A92.7Very high83Confident48 Ų4869.7 Ų69.740%0.39735%0.354SS..Hα-helixtrans-62.4-46175.700000110.8M58 E59 G65 R66 L169M58-A62 PolarHBondContact O-N 2.69Å; E59-A62 PolarHBondContact O-N 3.46Å; E59-A62 VanDerWaalsContact O-N 3.15Å; A62-G65 PolarHBondContact O-N 3.28Å; A62-R66 PolarHBondContact O-N 2.98Å; A62-L169 HydrophobicContact CB-CD1 4.21Å; A62-L169 HydrophobicContact CB-CD2 4.22Å; A62-L169 WeakPolarHBondContact O-CD2 3.43Å
63L95.7Very high85.2Confident2 Ų265.1 Ų65.11%0.0134%0.341CS..Hα-helixtrans-55.1-55.7176.3165.558.5000111.3I33 E59 T60 G65 R66 L67 W165 V166 V168I33-L63 HydrophobicContact CD1-CD2 3.65Å; I33-L63 HydrophobicContact CG1-CD2 3.91Å; E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 PolarHBondContact O-N 2.94Å; T60-L63 WeakPolarHBondContact O-CB 3.45Å; T60-L63 PolarHBondContact O-N 2.98Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.01Å; L63-R66 PolarHBondContact O-N 2.89Å; L63-R66 VanDerWaalsContact O-N 3.16Å; L63-L67 HydrophobicContact CD1-CD1 4.02Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.3Å; L63-L67 PolarHBondContact O-N 3.31Å; L63-W165 HydrophobicContact CD1-CB 4.26Å; L63-W165 VanDerWaalsContact CD1-O 3.22Å; L63-W165 WeakPolarHBondContact CD1-O 3.34Å; L63-W165 HydrophobicContact CD2-CB 3.65Å; L63-V166 HydrophobicContact CD2-CG1 4.4Å; L63-V168 HydrophobicContact CD1-CG1 3.3Å
64I95.6Very high87.4Confident5 Ų555.2 Ų55.23%0.02630%0.304CS..Hα-helixtrans-62.5-42.4-179.8-61.6-63.2000110.7I33 E36 L40 T60 R66 L67 I68I33-I64 HydrophobicContact CB-CD1 4.23Å; I33-I64 HydrophobicContact CG1-CD1 4.42Å; I33-I64 HydrophobicContact CG2-CD1 3.89Å; I33-I64 VanDerWaalsContact O-CD1 3.3Å; I33-I64 WeakPolarHBondContact O-CD1 3.48Å; E36-I64 HydrophobicContact CB-CD1 3.96Å; E36-I64 HydrophobicContact CB-CG1 4.06Å; E36-I64 HydrophobicContact CB-CG2 4.49Å; L40-I64 HydrophobicContact CD1-CG2 3.4Å; L40-I64 HydrophobicContact CG-CG2 4.49Å; T60-I64 HydrophobicContact CG2-CG1 4.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.46Å; T60-I64 PolarHBondContact O-N 3.22Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 2.81Å; I64-L67 HydrophobicContact CD1-CD1 4.33Å; I64-L67 PolarHBondContact O-N 2.79Å; I64-I68 HydrophobicContact CG2-CG1 4.29Å; I64-I68 VanDerWaalsContact O-CG1 3.26Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.34Å
65G94.2Very high89.4Confident30 Ų3055.5 Ų55.531%0.30930%0.302SS..Hα-helixtrans-54.3-45.117500000112.1Q61 A62 L63 I68 E69Q61-G65 PolarHBondContact O-N 2.9Å; A62-G65 PolarHBondContact O-N 3.28Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.01Å; G65-I68 PolarHBondContact O-N 2.84Å; G65-E69 WeakPolarHBondContact O-CG 3.45Å; G65-E69 PolarHBondContact O-N 3.4Å
66R95.3Very high91.2Very high66 Ų6654 Ų5425%0.24930%0.297CS..Hα-helixtrans-66.2-42.7178.1-172.458.6172.2167.9-0.4112.8A62 L63 I64 I68 E69 I70 V168 L169A62-R66 PolarHBondContact O-N 2.98Å; L63-R66 PolarHBondContact O-N 2.89Å; L63-R66 VanDerWaalsContact O-N 3.16Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 2.81Å; R66-I68 VanDerWaalsContact C-N 3.27Å; R66-I68 PolarHBondContact O-N 2.96Å; R66-E69 WeakPolarHBondContact CD-OE2 3.46Å; R66-E69 IonicContact CZ-OE2 3.38Å; R66-E69 IonicContact NH1-OE2 3.43Å; R66-E69 PolarHBondContact NH1-OE2 3.43Å; R66-E69 WeakPolarHBondContact O-CB 3.22Å; R66-E69 PolarHBondContact O-N 3.18Å; R66-I70 HydrophobicContact CG-CD1 4.11Å; R66-I70 VanDerWaalsContact O-CG1 3.24Å; R66-I70 WeakPolarHBondContact O-CG1 3.49Å; R66-I70 PolarHBondContact O-N 3.43Å; R66-V168 HydrophobicContact CG-CG1 4.37Å; R66-L169 HydrophobicContact CB-CD2 3.61Å; R66-L169 HydrophobicContact CG-CD2 4.09Å
67L97.3Very high92.6Very high0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-60.1-39.7174.8-66.3172.9000111.4I33 F37 L63 I64 I70 S71 V117 F120 V168I33-L67 HydrophobicContact CG2-CD1 3.82Å; F37-L67 HydrophobicContact CD2-CB 3.74Å; F37-L67 HydrophobicContact CE2-CB 3.98Å; L63-L67 HydrophobicContact CD1-CD1 4.02Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.3Å; L63-L67 PolarHBondContact O-N 3.31Å; I64-L67 HydrophobicContact CD1-CD1 4.33Å; I64-L67 PolarHBondContact O-N 2.79Å; L67-I70 PolarHBondContact O-N 3.32Å; L67-S71 WeakPolarHBondContact O-CB 3.45Å; L67-S71 PolarHBondContact O-N 2.9Å; L67-V117 HydrophobicContact CD2-CG2 3.72Å; L67-F120 HydrophobicContact CD1-CE2 4.37Å; L67-V168 HydrophobicContact CD2-CG1 4.2Å; L67-V168 HydrophobicContact CD2-CG2 4.09Å; L67-V168 HydrophobicContact CG-CG1 4.48Å
68I96.2Very high93.2Very high23 Ų2353.4 Ų53.412%0.11829%0.287CS..Hα-helixtrans-64.4-45.1176.4-65.5-67.8000111.2F37 L40 K41 I64 G65 R66 I70 S71 N72F37-I68 HydrophobicContact CD2-CD1 3.78Å; F37-I68 HydrophobicContact CD2-CG1 4.35Å; F37-I68 HydrophobicContact CE2-CD1 3.88Å; F37-I68 HydrophobicContact CG-CD1 4.4Å; L40-I68 HydrophobicContact CB-CD1 3.98Å; L40-I68 HydrophobicContact CB-CG1 4.37Å; L40-I68 HydrophobicContact CD1-CG1 4.41Å; K41-I68 HydrophobicContact CD-CD1 3.53Å; K41-I68 HydrophobicContact CG-CD1 3.5Å; K41-I68 VanDerWaalsContact CG-CD1 3.5Å; I64-I68 HydrophobicContact CG2-CG1 4.29Å; I64-I68 VanDerWaalsContact O-CG1 3.26Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.34Å; G65-I68 PolarHBondContact O-N 2.84Å; R66-I68 VanDerWaalsContact C-N 3.27Å; R66-I68 PolarHBondContact O-N 2.96Å; I68-I70 PolarHBondContact O-N 3.47Å; I68-S71 PolarHBondContact O-N 3.31Å; I68-S71 PolarHBondContact O-OG 2.81Å; I68-N72 PolarHBondContact O-N 3.11Å; I68-N72 PolarHBondContact O-ND2 3.13Å
69E94.5Very high93.7Very high108 Ų10846.1 Ų46.151%0.50525%0.252SS..Hα-helixtrans-55.7-50.9174.8-72.6171.9-175.300111.7G65 R66 S71 N72 E73G65-E69 WeakPolarHBondContact O-CG 3.45Å; G65-E69 PolarHBondContact O-N 3.4Å; R66-E69 WeakPolarHBondContact CD-OE2 3.46Å; R66-E69 IonicContact CZ-OE2 3.38Å; R66-E69 IonicContact NH1-OE2 3.43Å; R66-E69 PolarHBondContact NH1-OE2 3.43Å; R66-E69 WeakPolarHBondContact O-CB 3.22Å; R66-E69 PolarHBondContact O-N 3.18Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.98Å; E69-N72 PolarHBondContact O-N 3.09Å; E69-N72 VanDerWaalsContact O-N 3.1Å; E69-E73 PolarHBondContact O-N 2.95Å; E69-E73 VanDerWaalsContact O-N 3.09Å
70I95Very high94.1Very high1 Ų148.6 Ų48.61%0.00526%0.263CS..Hα-helixtrans-57.7-45.3177.1-63.6165.1000110.2R66 L67 I68 N72 E73 L74 V117 V168 Y172R66-I70 HydrophobicContact CG-CD1 4.11Å; R66-I70 VanDerWaalsContact O-CG1 3.24Å; R66-I70 WeakPolarHBondContact O-CG1 3.49Å; R66-I70 PolarHBondContact O-N 3.43Å; L67-I70 PolarHBondContact O-N 3.32Å; I68-I70 PolarHBondContact O-N 3.47Å; I70-N72 PolarHBondContact O-N 3.18Å; I70-E73 WeakPolarHBondContact O-CB 3.43Å; I70-E73 PolarHBondContact O-N 3.12Å; I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 HydrophobicContact CG2-CG 4.18Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 2.93Å; I70-V117 HydrophobicContact CB-CG1 4.35Å; I70-V117 HydrophobicContact CB-CG2 4.26Å; I70-V117 HydrophobicContact CG2-CB 3.97Å; I70-V117 HydrophobicContact CG2-CG1 3.91Å; I70-V117 HydrophobicContact CG2-CG2 3.81Å; I70-V168 HydrophobicContact CD1-CG2 3.54Å; I70-Y172 HydrophobicContact CB-CE1 4.45Å; I70-Y172 HydrophobicContact CB-CE2 4.24Å; I70-Y172 HydrophobicContact CD1-CD1 3.85Å; I70-Y172 HydrophobicContact CD1-CD2 3.44Å; I70-Y172 VanDerWaalsContact CD1-CD2 3.44Å; I70-Y172 HydrophobicContact CD1-CE1 4.29Å; I70-Y172 HydrophobicContact CD1-CE2 3.92Å; I70-Y172 HydrophobicContact CD1-CG 3.38Å; I70-Y172 HydrophobicContact CG1-CD1 3.61Å; I70-Y172 HydrophobicContact CG1-CD2 3.8Å; I70-Y172 HydrophobicContact CG1-CE1 3.62Å; I70-Y172 HydrophobicContact CG1-CE2 3.81Å; I70-Y172 HydrophobicContact CG1-CG 3.69Å; I70-Y172 HydrophobicContact CG2-CD2 4.1Å; I70-Y172 HydrophobicContact CG2-CE1 4.33Å; I70-Y172 HydrophobicContact CG2-CE2 3.42Å; I70-Y172 VanDerWaalsContact CG2-CE2 3.42Å
71S96.1Very high94.3Very high0 Ų050.3 Ų50.30%027%0.265CS..Hα-helixtrans-62.1-34.3-18081.80000112.6K41 L67 I68 E69 E75 M121K41-S71 WeakPolarHBondContact CD-OG 3.41Å; K41-S71 PolarHBondContact NZ-OG 3.42Å; L67-S71 WeakPolarHBondContact O-CB 3.45Å; L67-S71 PolarHBondContact O-N 2.9Å; I68-S71 PolarHBondContact O-N 3.31Å; I68-S71 PolarHBondContact O-OG 2.81Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.98Å; S71-E75 WeakPolarHBondContact O-CB 3.39Å; S71-E75 PolarHBondContact O-N 3.26Å; S71-M121 WeakPolarHBondContact O-CE 3.37Å
72N94.8Very high94.7Very high64 Ų6446.7 Ų46.734%0.34225%0.249SC..Hα-helixtrans-72.6-35.3179-67.2-27.6000111.1K41 Q44 I68 E69 I70 E75K41-N72 PolarHBondContact NZ-OD1 3.38Å; Q44-N72 PolarHBondContact NE2-ND2 3.37Å; Q44-N72 PolarHBondContact NE2-OD1 2.83Å; Q44-N72 PolarHBondContact OE1-OD1 3.46Å; I68-N72 PolarHBondContact O-N 3.11Å; I68-N72 PolarHBondContact O-ND2 3.13Å; E69-N72 PolarHBondContact O-N 3.09Å; E69-N72 VanDerWaalsContact O-N 3.1Å; I70-N72 PolarHBondContact O-N 3.18Å; N72-E75 WeakPolarHBondContact O-CB 3.45Å
73E93.4Very high94.9Very high97 Ų9746.9 Ų46.945%0.45324%0.243SC..Hα-helixtrans-64.5-46172.1-177.2177.1174.800111.5E69 I70 E75 Y172 P174E69-E73 PolarHBondContact O-N 2.95Å; E69-E73 VanDerWaalsContact O-N 3.09Å; I70-E73 WeakPolarHBondContact O-CB 3.43Å; I70-E73 PolarHBondContact O-N 3.12Å; E73-E75 VanDerWaalsContact C-N 3.27Å; E73-E75 PolarHBondContact O-N 3.5Å; E73-Y172 PolarHBondContact OE2-OH 3.26Å; E73-P174 WeakPolarHBondContact OE1-CB 3.41Å
74L94.8Very high94.9Very high10 Ų1051.9 Ų51.95%0.05227%0.266CS..Hα-helixtrans-72.7-17.1-179.1-64.9179.5000113.6I70 A76 Q77 Y78 S114 V117 V118 M121I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 HydrophobicContact CG2-CG 4.18Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 2.93Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.4Å; L74-Q77 PolarHBondContact O-N 3.22Å; L74-Q77 VanDerWaalsContact O-N 3.1Å; L74-Y78 HydrophobicContact CB-CD2 4.14Å; L74-Y78 HydrophobicContact CD2-CD2 4.35Å; L74-Y78 HydrophobicContact CD2-CE2 4.06Å; L74-Y78 PolarHBondContact O-N 3.35Å; L74-S114 WeakPolarHBondContact CD1-O 3.27Å; L74-V117 HydrophobicContact CD1-CB 4.16Å; L74-V117 HydrophobicContact CD1-CG1 4.13Å; L74-V118 HydrophobicContact CD1-CG2 4.1Å; L74-M121 HydrophobicContact CB-CE 4.14Å; L74-M121 HydrophobicContact CB-SD 3.85Å
75E94.5Very high94.9Very high57 Ų5752.3 Ų52.327%0.26627%0.268SS..Hα-helixtrans-58.3-41.1-178.2-169.370.3-143.600111.8K41 S71 N72 E73 Q77 G79 M121 K125K41-E75 IonicContact NZ-OE2 2.6Å; S71-E75 WeakPolarHBondContact O-CB 3.39Å; S71-E75 PolarHBondContact O-N 3.26Å; N72-E75 WeakPolarHBondContact O-CB 3.45Å; E73-E75 VanDerWaalsContact C-N 3.27Å; E73-E75 PolarHBondContact O-N 3.5Å; E75-Q77 PolarHBondContact O-N 2.84Å; E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.45Å; E75-G79 PolarHBondContact O-N 3.17Å; E75-M121 HydrophobicContact CB-CE 4.25Å; E75-M121 WeakPolarHBondContact OE2-CE 3.32Å; E75-K125 VanDerWaalsContact OE1-CE 3.31Å; E75-K125 WeakPolarHBondContact OE1-CE 3.24Å; E75-K125 IonicContact OE1-NZ 3.55Å; E75-K125 PolarHBondContact OE1-NZ 2.87Å
76A91.2Very high94.9Very high102 Ų10251 Ų5184%0.84325%0.254SS*.Hα-helixtrans-64.4-30.1179.100000112.9L74L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.4Å
77Q90.7Very high94.9Very high98 Ų9852.4 Ų52.446%0.45826%0.264SS..Hα-helixtrans-89.1-38.4-177.2-176.1171.262.600112.7L74 E75L74-Q77 PolarHBondContact O-N 3.22Å; L74-Q77 VanDerWaalsContact O-N 3.1Å; E75-Q77 PolarHBondContact O-N 2.84Å
78Y94.5Very high94.8Very high37 Ų3755.2 Ų55.215%0.14528%0.278CS..Hα-helixtrans-116.3-14.5-170.1-62.5-73.1000114.4L74 E80 R81 L82 V118L74-Y78 HydrophobicContact CB-CD2 4.14Å; L74-Y78 HydrophobicContact CD2-CD2 4.35Å; L74-Y78 HydrophobicContact CD2-CE2 4.06Å; L74-Y78 PolarHBondContact O-N 3.35Å; Y78-E80 PolarHBondContact O-N 3.12Å; Y78-R81 PolarHBondContact O-N 3.41Å; Y78-L82 WeakPolarHBondContact O-CB 3.36Å; Y78-L82 VanDerWaalsContact O-CG 3.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.45Å; Y78-L82 PolarHBondContact O-N 3.25Å; Y78-V118 HydrophobicContact CD2-CG2 3.61Å; Y78-V118 HydrophobicContact CE2-CG2 3.84Å; Y78-V118 HydrophobicContact CG-CG2 3.99Å
79G94.9Very high94.7Very high3 Ų354.2 Ų54.23%0.03127%0.272CS..Hα-helixtrans-53.6-50.8-169.900000114E75 L82 N83E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.45Å; E75-G79 PolarHBondContact O-N 3.17Å; G79-L82 PolarHBondContact O-N 3.04Å; G79-N83 VanDerWaalsContact O-CG 3.22Å; G79-N83 PolarHBondContact O-N 3.17Å; G79-N83 PolarHBondContact O-ND2 2.92Å
80E95.1Very high94.6Very high155 Ų15549.8 Ų49.872%0.72425%0.252SS*.Hα-helixtrans-63.4-43.2179.8-72.3-55.2111.800112.7Y78 L82 N83 H84Y78-E80 PolarHBondContact O-N 3.12Å; E80-L82 VanDerWaalsContact C-N 3.34Å; E80-L82 PolarHBondContact O-N 3.45Å; E80-N83 WeakPolarHBondContact O-CB 3.49Å; E80-N83 PolarHBondContact O-N 3.08Å; E80-N83 PolarHBondContact OE1-ND2 2.9Å; E80-H84 PolarHBondContact O-N 3.14Å; E80-H84 VanDerWaalsContact O-N 3.12Å
81R95Very high94.5Very high74 Ų7458.2 Ų58.228%0.27929%0.289SS..Hα-helixtrans-63.3-42.6176.8179.3171.2176.4-99.5-16.4111.3Y78 N83 H84 D85 L188Y78-R81 PolarHBondContact O-N 3.41Å; R81-N83 VanDerWaalsContact C-N 3.32Å; R81-N83 PolarHBondContact O-N 3.41Å; R81-H84 WeakPolarHBondContact O-CB 3.39Å; R81-H84 PolarHBondContact O-N 3.24Å; R81-D85 IonicContact CZ-OD2 3.3Å; R81-D85 IonicContact NE-OD2 3.54Å; R81-D85 IonicContact NH2-OD2 3.52Å; R81-D85 PolarHBondContact O-N 3.32Å; R81-L188 VanDerWaalsContact CZ-CD1 3.48Å
82L96.9Very high94.2Very high1 Ų160.8 Ų60.81%0.00531%0.306CS..Hα-helixtrans-66.8-33.2178.1-67.8179.5000112.4Y78 G79 E80 D85 A86 V118 M121 F122 K125Y78-L82 WeakPolarHBondContact O-CB 3.36Å; Y78-L82 VanDerWaalsContact O-CG 3.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.45Å; Y78-L82 PolarHBondContact O-N 3.25Å; G79-L82 PolarHBondContact O-N 3.04Å; E80-L82 VanDerWaalsContact C-N 3.34Å; E80-L82 PolarHBondContact O-N 3.45Å; L82-D85 PolarHBondContact O-N 2.83Å; L82-A86 VanDerWaalsContact O-CB 3.32Å; L82-A86 WeakPolarHBondContact O-CB 3.29Å; L82-A86 PolarHBondContact O-N 3.22Å; L82-V118 HydrophobicContact CD1-CG1 4.37Å; L82-V118 HydrophobicContact CD2-CG1 4.18Å; L82-M121 HydrophobicContact CD1-CB 3.56Å; L82-M121 HydrophobicContact CD1-CE 4.16Å; L82-F122 HydrophobicContact CD2-CB 3.84Å; L82-F122 HydrophobicContact CD2-CD2 4.41Å; L82-K125 HydrophobicContact CB-CG 3.77Å
83N96.4Very high94.2Very high51 Ų5159.7 Ų59.727%0.27331%0.306SS..Hα-helixtrans-60.6-47.7171.3-68-26.8000110.4G79 E80 R81 A86 E87 K125G79-N83 VanDerWaalsContact O-CG 3.22Å; G79-N83 PolarHBondContact O-N 3.17Å; G79-N83 PolarHBondContact O-ND2 2.92Å; E80-N83 WeakPolarHBondContact O-CB 3.49Å; E80-N83 PolarHBondContact O-N 3.08Å; E80-N83 PolarHBondContact OE1-ND2 2.9Å; R81-N83 VanDerWaalsContact C-N 3.32Å; R81-N83 PolarHBondContact O-N 3.41Å; N83-A86 PolarHBondContact O-N 2.72Å; N83-E87 WeakPolarHBondContact O-CG 3.35Å; N83-E87 PolarHBondContact O-N 3.07Å; N83-K125 WeakPolarHBondContact OD1-CD 3.46Å; N83-K125 VanDerWaalsContact OD1-CE 3.24Å; N83-K125 WeakPolarHBondContact OD1-CE 3.47Å; N83-K125 PolarHBondContact OD1-NZ 3.43Å
84H96.2Very high94.2Very high107 Ų10757.6 Ų57.650%0.49530%0.3SS..Hα-helixtrans-61.6-46.2176.7-177.374.2000112.4E80 R81 A86 E87 M88E80-H84 PolarHBondContact O-N 3.14Å; E80-H84 VanDerWaalsContact O-N 3.12Å; R81-H84 WeakPolarHBondContact O-CB 3.39Å; R81-H84 PolarHBondContact O-N 3.24Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.36Å; H84-E87 WeakPolarHBondContact O-CB 3.42Å; H84-E87 PolarHBondContact O-N 2.69Å; H84-M88 PolarHBondContact NE2-SD 3.32Å; H84-M88 WeakPolarHBondContact O-CG 3.39Å; H84-M88 PolarHBondContact O-N 3.02Å
85D95.4Very high94.1Very high15 Ų1558.9 Ų58.98%0.0830%0.304CS..Hα-helixtrans-61.1-38.6178-74.2-21.9000111.3R81 L82 M88 W89 I101 F122R81-D85 IonicContact CZ-OD2 3.3Å; R81-D85 IonicContact NE-OD2 3.54Å; R81-D85 IonicContact NH2-OD2 3.52Å; R81-D85 PolarHBondContact O-N 3.32Å; L82-D85 PolarHBondContact O-N 2.83Å; D85-M88 PolarHBondContact O-N 3.5Å; D85-W89 WeakPolarHBondContact O-CB 3.39Å; D85-W89 PolarHBondContact O-N 3.18Å; D85-I101 HydrophobicContact CB-CG2 3.89Å; D85-I101 WeakPolarHBondContact O-CD1 3.3Å; D85-F122 HydrophobicContact CB-CD2 4.2Å; D85-F122 HydrophobicContact CB-CE2 3.97Å
86A95.6Very high94.1Very high1 Ų162.2 Ų62.21%0.00832%0.32CS..Hα-helixtrans-66.5-40.7175.200000112.6L82 N83 H84 M88 W89 I90 K125 V126L82-A86 VanDerWaalsContact O-CB 3.32Å; L82-A86 WeakPolarHBondContact O-CB 3.29Å; L82-A86 PolarHBondContact O-N 3.22Å; N83-A86 PolarHBondContact O-N 2.72Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.36Å; A86-M88 VanDerWaalsContact C-N 3.31Å; A86-M88 PolarHBondContact O-N 2.88Å; A86-W89 PolarHBondContact O-N 3.15Å; A86-I90 WeakPolarHBondContact O-CG2 3.35Å; A86-I90 PolarHBondContact O-N 2.86Å; A86-I90 VanDerWaalsContact O-N 3.08Å; A86-K125 HydrophobicContact CB-CB 3.69Å; A86-V126 HydrophobicContact CB-CG2 3.88Å
87E94.9Very high94.3Very high97 Ų9759.2 Ų59.245%0.45329%0.288SS..Hα-helixtrans-65.8-31.7172.7-74.5-178.9-176.600113.3N83 H84 I90 K91 N129N83-E87 WeakPolarHBondContact O-CG 3.35Å; N83-E87 PolarHBondContact O-N 3.07Å; H84-E87 WeakPolarHBondContact O-CB 3.42Å; H84-E87 PolarHBondContact O-N 2.69Å; E87-I90 VanDerWaalsContact O-CG2 3.29Å; E87-I90 WeakPolarHBondContact O-CG2 3.23Å; E87-K91 WeakPolarHBondContact O-CG 3.39Å; E87-N129 WeakPolarHBondContact CG-ND2 3.37Å
88M94.2Very high94.5Very high59 Ų5954.6 Ų54.629%0.29127%0.266SS..Hα-helixtrans-71.3-42.1172.2-74.9-172.36000111.5H84 D85 A86H84-M88 PolarHBondContact NE2-SD 3.32Å; H84-M88 WeakPolarHBondContact O-CG 3.39Å; H84-M88 PolarHBondContact O-N 3.02Å; D85-M88 PolarHBondContact O-N 3.5Å; A86-M88 VanDerWaalsContact C-N 3.31Å; A86-M88 PolarHBondContact O-N 2.88Å
89W94.5Very high94.5Very high1 Ų154.3 Ų54.30%0.00427%0.267CS..Hα-helixtrans-60.8-52-179.2178.979.5000111.8D85 A86 K91 S92 A93 T94 F98 I101 F122 V126 L138 I142 F145D85-W89 WeakPolarHBondContact O-CB 3.39Å; D85-W89 PolarHBondContact O-N 3.18Å; A86-W89 PolarHBondContact O-N 3.15Å; W89-K91 PolarHBondContact O-N 3.43Å; W89-S92 PolarHBondContact O-N 2.93Å; W89-S92 PolarHBondContact O-OG 3.36Å; W89-A93 HydrophobicContact CH2-CB 4.01Å; W89-A93 HydrophobicContact CZ2-CB 4.39Å; W89-A93 HydrophobicContact CZ3-CB 4.3Å; W89-A93 PolarHBondContact O-N 3.24Å; W89-T94 PolarHBondContact NE1-O 3.46Å; W89-F98 VanDerWaalsContact CD1-CA 3.5Å; W89-F98 VanDerWaalsContact CD1-N 3.27Å; W89-I101 HydrophobicContact CB-CD1 3.82Å; W89-F122 HydrophobicContact CB-CZ 4.24Å; W89-F122 HydrophobicContact CG-CZ 4.44Å; W89-V126 HydrophobicContact CB-CG2 4.43Å; W89-V126 HydrophobicContact CD2-CG1 3.86Å; W89-V126 HydrophobicContact CD2-CG2 4.38Å; W89-V126 HydrophobicContact CE3-CB 4.36Å; W89-V126 HydrophobicContact CE3-CG1 3.19Å; W89-V126 HydrophobicContact CE3-CG2 4.27Å; W89-V126 HydrophobicContact CG-CG2 4.45Å; W89-V126 HydrophobicContact CH2-CG1 4.03Å; W89-V126 HydrophobicContact CZ3-CG1 3.28Å; W89-L138 HydrophobicContact CH2-CD1 4.12Å; W89-L138 HydrophobicContact CZ3-CD1 4.24Å; W89-I142 HydrophobicContact CH2-CD1 3.45Å; W89-I142 VanDerWaalsContact CH2-CD1 3.45Å; W89-I142 HydrophobicContact CH2-CG1 4.37Å; W89-I142 HydrophobicContact CZ2-CD1 3.51Å; W89-I142 HydrophobicContact CZ3-CD1 4.02Å; W89-F145 HydrophobicContact CZ2-CE2 4.22Å
90I92.8Very high94.5Very high16 Ų1659 Ų598%0.08229%0.288CS..Hα-helixtrans-61.5-20.7-173.3-16664.2000113.9A86 E87 S92 N129 A130 K133 F135 L138A86-I90 WeakPolarHBondContact O-CG2 3.35Å; A86-I90 PolarHBondContact O-N 2.86Å; A86-I90 VanDerWaalsContact O-N 3.08Å; E87-I90 VanDerWaalsContact O-CG2 3.29Å; E87-I90 WeakPolarHBondContact O-CG2 3.23Å; I90-S92 PolarHBondContact O-N 3Å; I90-N129 WeakPolarHBondContact CG2-OD1 3.46Å; I90-A130 HydrophobicContact CD1-CB 4.21Å; I90-K133 HydrophobicContact CG1-CD 3.96Å; I90-F135 HydrophobicContact CD1-CD2 4.18Å; I90-L138 HydrophobicContact CD1-CD1 4.08Å
91K92.6Very high94.4Very high178 Ų17852.3 Ų52.377%0.77426%0.258SS*.THydrogen-bonded Turntrans-64.1-27.9173.3-69.4174.4-174.9-179.90112.7E87 W89E87-K91 WeakPolarHBondContact O-CG 3.39Å; W89-K91 PolarHBondContact O-N 3.43Å
92S91Very high94.4Very high53 Ų5348.8 Ų48.837%0.37124%0.244SC..THydrogen-bonded Turntrans-108.1-32.8176.863.30000112.4W89 I90 T94 K97W89-S92 PolarHBondContact O-N 2.93Å; W89-S92 PolarHBondContact O-OG 3.36Å; I90-S92 PolarHBondContact O-N 3Å; S92-T94 WeakPolarHBondContact O-CG2 3.25Å; S92-T94 PolarHBondContact O-N 3.1Å; S92-T94 VanDerWaalsContact O-N 3.15Å; S92-K97 WeakPolarHBondContact OG-CB 3.39Å; S92-K97 VanDerWaalsContact OG-CG 3.23Å; S92-K97 WeakPolarHBondContact OG-CG 3.29Å
93A92.9Very high94.3Very high41 Ų4153.6 Ų53.634%0.33927%0.265SS..  trans49.533.7-176.300000113.8W89 L138W89-A93 HydrophobicContact CH2-CB 4.01Å; W89-A93 HydrophobicContact CZ2-CB 4.39Å; W89-A93 HydrophobicContact CZ3-CB 4.3Å; W89-A93 PolarHBondContact O-N 3.24Å; A93-L138 HydrophobicContact CB-CD1 4.41Å
94T93.7Very high94.2Very high53 Ų5352.2 Ų52.233%0.32526%0.263SS..  trans-107.4156.9-178.373.50000113.4W89 S92 E96 K97 F98W89-T94 PolarHBondContact NE1-O 3.46Å; S92-T94 WeakPolarHBondContact O-CG2 3.25Å; S92-T94 PolarHBondContact O-N 3.1Å; S92-T94 VanDerWaalsContact O-N 3.15Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 WeakPolarHBondContact CB-OE2 3.41Å; T94-E96 PolarHBondContact O-N 3.12Å; T94-E96 PolarHBondContact OG1-OE2 3.13Å; T94-K97 PolarHBondContact O-N 2.87Å; T94-K97 PolarHBondContact OG1-N 3.08Å; T94-K97 VanDerWaalsContact OG1-N 3.16Å; T94-F98 PolarHBondContact O-N 2.93Å; T94-F98 VanDerWaalsContact O-N 3.11Å
95Y93.6Very high94.1Very high37 Ų3747.5 Ų47.515%0.14524%0.242CC..Hα-helixtrans-63.2-37.5172.3177.9-112.6000111.8K97 F98 L99 F145 K148Y95-K97 VanDerWaalsContact C-N 3.31Å; Y95-K97 PolarHBondContact O-N 3.4Å; Y95-F98 WeakPolarHBondContact O-CB 3.22Å; Y95-F98 PolarHBondContact O-N 3.47Å; Y95-L99 HydrophobicContact CE1-CD2 4.49Å; Y95-L99 VanDerWaalsContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CB 3.26Å; Y95-L99 PolarHBondContact O-N 2.94Å; Y95-F145 HydrophobicContact CD2-CB 4.04Å; Y95-F145 AromaticContact CD2-CD1 3.47Å; Y95-F145 HydrophobicContact CD2-CD1 3.47Å; Y95-F145 VanDerWaalsContact CD2-CD1 3.47Å; Y95-F145 HydrophobicContact CD2-CD2 4.06Å; Y95-F145 AromaticContact CD2-CE1 3.86Å; Y95-F145 HydrophobicContact CD2-CE1 3.86Å; Y95-F145 HydrophobicContact CD2-CE2 4.4Å; Y95-F145 AromaticContact CD2-CG 3.59Å; Y95-F145 HydrophobicContact CD2-CG 3.59Å; Y95-F145 HydrophobicContact CD2-CZ 4.31Å; Y95-F145 HydrophobicContact CE2-CB 4.22Å; Y95-F145 HydrophobicContact CE2-CD1 4.13Å; Y95-F145 HydrophobicContact CE2-CG 4.23Å; Y95-F145 HydrophobicContact CG-CD1 4.33Å; Y95-F145 HydrophobicContact CG-CE1 4.28Å; Y95-K148 HydrophobicContact CE1-CD 4.41Å; Y95-K148 HydrophobicContact CE2-CD 4.02Å
96E95.1Very high94Very high128 Ų12848 Ų4860%0.59824%0.243SC*.Hα-helixtrans-63-39.9179.6-64.566.9-143.300111T94 L99 Q100T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 WeakPolarHBondContact CB-OE2 3.41Å; T94-E96 PolarHBondContact O-N 3.12Å; T94-E96 PolarHBondContact OG1-OE2 3.13Å; E96-L99 PolarHBondContact O-N 3.49Å; E96-Q100 PolarHBondContact O-N 3.3Å
97K94.5Very high93.9Very high39 Ų3951.4 Ų51.417%0.1727%0.267CS..Hα-helixtrans-70.4-38.8176.2-171.264.7-179.8177.50111.7S92 T94 Y95 L99 Q100 I101S92-K97 WeakPolarHBondContact OG-CB 3.39Å; S92-K97 VanDerWaalsContact OG-CG 3.23Å; S92-K97 WeakPolarHBondContact OG-CG 3.29Å; T94-K97 PolarHBondContact O-N 2.87Å; T94-K97 PolarHBondContact OG1-N 3.08Å; T94-K97 VanDerWaalsContact OG1-N 3.16Å; Y95-K97 VanDerWaalsContact C-N 3.31Å; Y95-K97 PolarHBondContact O-N 3.4Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 3.33Å; K97-Q100 PolarHBondContact O-N 3.36Å; K97-I101 HydrophobicContact CG-CD1 4.25Å; K97-I101 WeakPolarHBondContact O-CG1 3.49Å; K97-I101 PolarHBondContact O-N 3.47Å
98F94.5Very high93.7Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-57.4-50.1173.8178.8-89.6000109.8W89 T94 Y95 Q100 I101 A102 L119 F122 I142 F145 V146 F149W89-F98 VanDerWaalsContact CD1-CA 3.5Å; W89-F98 VanDerWaalsContact CD1-N 3.27Å; T94-F98 PolarHBondContact O-N 2.93Å; T94-F98 VanDerWaalsContact O-N 3.11Å; Y95-F98 WeakPolarHBondContact O-CB 3.22Å; Y95-F98 PolarHBondContact O-N 3.47Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.28Å; F98-I101 PolarHBondContact O-N 2.99Å; F98-A102 HydrophobicContact CD1-CB 4.44Å; F98-A102 HydrophobicContact CE1-CB 4.15Å; F98-A102 WeakPolarHBondContact O-CB 3.42Å; F98-A102 PolarHBondContact O-N 3.12Å; F98-L119 HydrophobicContact CZ-CD1 4.23Å; F98-F122 HydrophobicContact CD2-CD1 4.35Å; F98-F122 AromaticContact CD2-CE1 3.56Å; F98-F122 HydrophobicContact CD2-CE1 3.56Å; F98-F122 HydrophobicContact CD2-CZ 4.33Å; F98-F122 AromaticContact CE2-CD1 3.89Å; F98-F122 HydrophobicContact CE2-CD1 3.89Å; F98-F122 AromaticContact CE2-CE1 3.56Å; F98-F122 HydrophobicContact CE2-CE1 3.56Å; F98-F122 HydrophobicContact CG-CE1 4.39Å; F98-F122 HydrophobicContact CZ-CD1 4.5Å; F98-F122 HydrophobicContact CZ-CE1 4.39Å; F98-I142 HydrophobicContact CD2-CD1 4.48Å; F98-F145 HydrophobicContact CB-CD2 4.14Å; F98-F145 HydrophobicContact CD1-CB 3.77Å; F98-F145 HydrophobicContact CD2-CB 4.3Å; F98-F145 HydrophobicContact CD2-CD2 4.41Å; F98-F145 HydrophobicContact CE1-CB 3.83Å; F98-F145 HydrophobicContact CE2-CB 4.35Å; F98-F145 HydrophobicContact CG-CB 4.02Å; F98-F145 HydrophobicContact CG-CD2 4.14Å; F98-F145 HydrophobicContact CZ-CB 4.13Å; F98-V146 HydrophobicContact CE2-CG2 4.16Å; F98-V146 HydrophobicContact CZ-CB 4.41Å; F98-V146 HydrophobicContact CZ-CG2 3.62Å; F98-F149 HydrophobicContact CE1-CB 4.2Å
99L95.8Very high93.6Very high32 Ų3250.4 Ų50.417%0.16828%0.28CS..Hα-helixtrans-58.2-43.3179-177.863.4000112.2Y95 E96 K97 I101 K103 F149 H153Y95-L99 HydrophobicContact CE1-CD2 4.49Å; Y95-L99 VanDerWaalsContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CB 3.26Å; Y95-L99 PolarHBondContact O-N 2.94Å; E96-L99 PolarHBondContact O-N 3.49Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 3.33Å; L99-I101 PolarHBondContact O-N 3.34Å; L99-K103 HydrophobicContact CD1-CD 4.33Å; L99-K103 HydrophobicContact CD1-CG 4.33Å; L99-K103 HydrophobicContact CG-CD 4.23Å; L99-K103 WeakPolarHBondContact O-CB 3.09Å; L99-K103 VanDerWaalsContact O-CG 3.26Å; L99-K103 WeakPolarHBondContact O-CG 3.42Å; L99-K103 PolarHBondContact O-N 2.9Å; L99-F149 HydrophobicContact CD1-CD2 3.6Å; L99-F149 HydrophobicContact CD1-CE2 3.71Å; L99-H153 VanDerWaalsContact CD1-NE2 3.29Å; L99-H153 WeakPolarHBondContact CD1-NE2 3.3Å
100Q95.1Very high93.5Very high100 Ų10054.5 Ų54.547%0.46730%0.301SS..Hα-helixtrans-58.4-47.2177.2-174.3-171.38.400111.6E96 K97 F98 G104E96-Q100 PolarHBondContact O-N 3.3Å; K97-Q100 PolarHBondContact O-N 3.36Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.28Å; Q100-G104 PolarHBondContact O-N 3.23Å
101I92.6Very high93.5Very high16 Ų1655.5 Ų55.58%0.08231%0.306CS..Hα-helixtrans-70.8-46.1-178-64.7167.2000110.4D85 W89 K97 F98 L99 K103 G104 V105 F122D85-I101 HydrophobicContact CB-CG2 3.89Å; D85-I101 WeakPolarHBondContact O-CD1 3.3Å; W89-I101 HydrophobicContact CB-CD1 3.82Å; K97-I101 HydrophobicContact CG-CD1 4.25Å; K97-I101 WeakPolarHBondContact O-CG1 3.49Å; K97-I101 PolarHBondContact O-N 3.47Å; F98-I101 PolarHBondContact O-N 2.99Å; L99-I101 PolarHBondContact O-N 3.34Å; I101-K103 VanDerWaalsContact C-N 3.33Å; I101-K103 PolarHBondContact O-N 2.98Å; I101-G104 WeakPolarHBondContact O-CA 3.4Å; I101-G104 PolarHBondContact O-N 2.87Å; I101-V105 PolarHBondContact O-N 3.2Å; I101-F122 HydrophobicContact CB-CE1 4.17Å; I101-F122 HydrophobicContact CB-CZ 3.91Å; I101-F122 HydrophobicContact CD1-CE2 4.21Å; I101-F122 HydrophobicContact CD1-CZ 3.82Å; I101-F122 HydrophobicContact CG1-CZ 4.49Å; I101-F122 HydrophobicContact CG2-CD1 4.32Å; I101-F122 HydrophobicContact CG2-CD2 4.17Å; I101-F122 HydrophobicContact CG2-CE1 3.87Å; I101-F122 HydrophobicContact CG2-CE2 3.73Å; I101-F122 HydrophobicContact CG2-CG 4.45Å; I101-F122 HydrophobicContact CG2-CZ 3.57Å
102A94.1Very high93.6Very high0 Ų048.5 Ų48.50%028%0.277CS..Hα-helixtrans-58.4-43.3178.500000111.8F98 G104 V105 F106 L119 F149F98-A102 HydrophobicContact CD1-CB 4.44Å; F98-A102 HydrophobicContact CE1-CB 4.15Å; F98-A102 WeakPolarHBondContact O-CB 3.42Å; F98-A102 PolarHBondContact O-N 3.12Å; A102-G104 PolarHBondContact O-N 3.39Å; A102-V105 WeakPolarHBondContact O-CB 3.06Å; A102-V105 PolarHBondContact O-N 3.18Å; A102-V105 VanDerWaalsContact O-N 3.12Å; A102-F106 WeakPolarHBondContact O-CD2 3.42Å; A102-L119 HydrophobicContact CB-CD1 3.72Å; A102-F149 HydrophobicContact CB-CD1 4.25Å; A102-F149 HydrophobicContact CB-CD2 3.8Å; A102-F149 HydrophobicContact CB-CE1 3.99Å; A102-F149 HydrophobicContact CB-CE2 3.55Å; A102-F149 HydrophobicContact CB-CG 4.15Å; A102-F149 HydrophobicContact CB-CZ 3.65Å
103K95.8Very high93.9Very high102 Ų10246.6 Ų46.644%0.44326%0.262SS..Hα-helixtrans-59.5-31.2172.8-76.8178.6176.2176.50113L99 I101 V105 F106 S107 F149 H153L99-K103 HydrophobicContact CD1-CD 4.33Å; L99-K103 HydrophobicContact CD1-CG 4.33Å; L99-K103 HydrophobicContact CG-CD 4.23Å; L99-K103 WeakPolarHBondContact O-CB 3.09Å; L99-K103 VanDerWaalsContact O-CG 3.26Å; L99-K103 WeakPolarHBondContact O-CG 3.42Å; L99-K103 PolarHBondContact O-N 2.9Å; I101-K103 VanDerWaalsContact C-N 3.33Å; I101-K103 PolarHBondContact O-N 2.98Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.48Å; K103-F106 CarbonylContact O-C 3.48Å; K103-F106 VanDerWaalsContact O-C 3.31Å; K103-F106 PolarHBondContact O-N 3.38Å; K103-F106 VanDerWaalsContact O-N 3.13Å; K103-S107 WeakPolarHBondContact O-CA 3.38Å; K103-S107 PolarHBondContact O-N 3.29Å; K103-S107 VanDerWaalsContact O-N 3.08Å; K103-F149 HydrophobicContact CG-CE2 3.99Å; K103-F149 HydrophobicContact CG-CZ 4.39Å; K103-H153 VanDerWaalsContact CE-CE1 3.42Å; K103-H153 WeakPolarHBondContact CE-CE1 3.43Å
104G93.7Very high94Very high22 Ų2244.9 Ų44.923%0.22725%0.248CC..Hα-helixtrans-60.6-35.2175.900000113.3Q100 I101 A102 F106 S107Q100-G104 PolarHBondContact O-N 3.23Å; I101-G104 WeakPolarHBondContact O-CA 3.4Å; I101-G104 PolarHBondContact O-N 2.87Å; A102-G104 PolarHBondContact O-N 3.39Å; G104-F106 PolarHBondContact O-N 2.95Å; G104-S107 WeakPolarHBondContact O-CB 3.26Å; G104-S107 PolarHBondContact O-N 2.95Å; G104-S107 PolarHBondContact O-OG 2.95Å
105V92.9Very high94.1Very high8 Ų843.1 Ų43.15%0.04824%0.235CC..Hα-helixtrans-64.3-30.4176.3-179.20000111.7I101 A102 K103 R115 V118I101-V105 PolarHBondContact O-N 3.2Å; A102-V105 WeakPolarHBondContact O-CB 3.06Å; A102-V105 PolarHBondContact O-N 3.18Å; A102-V105 VanDerWaalsContact O-N 3.12Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.48Å; V105-R115 HydrophobicContact CG1-CB 4.05Å; V105-R115 HydrophobicContact CG1-CG 4.47Å; V105-R115 PolarHBondContact O-NH1 2.93Å; V105-V118 HydrophobicContact CG1-CB 4.25Å; V105-V118 HydrophobicContact CG1-CG1 3.91Å; V105-V118 HydrophobicContact CG2-CG1 4.1Å
106F94.5Very high94.3Very high25 Ų2541.4 Ų41.411%0.1123%0.228CC..THydrogen-bonded Turntrans-113.928.4-177.7-56.2-86.5000112.2A102 K103 G104 D108 G109 I111 R115 I116 L119 F149 I155A102-F106 WeakPolarHBondContact O-CD2 3.42Å; K103-F106 CarbonylContact O-C 3.48Å; K103-F106 VanDerWaalsContact O-C 3.31Å; K103-F106 PolarHBondContact O-N 3.38Å; K103-F106 VanDerWaalsContact O-N 3.13Å; G104-F106 PolarHBondContact O-N 2.95Å; F106-D108 VanDerWaalsContact C-N 3.28Å; F106-D108 PolarHBondContact O-N 3.35Å; F106-G109 PolarHBondContact O-N 2.88Å; F106-I111 HydrophobicContact CD1-CG1 4.06Å; F106-I111 HydrophobicContact CE1-CG1 4.41Å; F106-I111 HydrophobicContact CE1-CG2 4.25Å; F106-R115 HydrophobicContact CD1-CB 4.15Å; F106-R115 HydrophobicContact CE1-CB 3.53Å; F106-R115 HydrophobicContact CZ-CB 3.99Å; F106-I116 HydrophobicContact CZ-CG1 4.48Å; F106-L119 HydrophobicContact CE2-CB 4.27Å; F106-L119 HydrophobicContact CE2-CD2 4.28Å; F106-L119 HydrophobicContact CZ-CB 4.48Å; F106-F149 AromaticContact CD2-CE1 3.82Å; F106-F149 HydrophobicContact CD2-CE1 3.82Å; F106-F149 HydrophobicContact CD2-CZ 4.05Å; F106-F149 AromaticContact CE2-CE1 3.76Å; F106-F149 HydrophobicContact CE2-CE1 3.76Å; F106-F149 HydrophobicContact CE2-CZ 4.42Å; F106-I155 HydrophobicContact CD2-CD1 4.4Å; F106-I155 HydrophobicContact CE1-CD1 4.14Å; F106-I155 HydrophobicContact CE2-CD1 3.76Å; F106-I155 HydrophobicContact CZ-CD1 3.61Å; F106-I155 HydrophobicContact CZ-CG1 4.45Å
107S92.6Very high94.4Very high72 Ų7235.3 Ų35.350%0.50320%0.2SC..THydrogen-bonded Turntrans-65.2-25.1-169.2490000115K103 G104K103-S107 WeakPolarHBondContact O-CA 3.38Å; K103-S107 PolarHBondContact O-N 3.29Å; K103-S107 VanDerWaalsContact O-N 3.08Å; G104-S107 WeakPolarHBondContact O-CB 3.26Å; G104-S107 PolarHBondContact O-N 2.95Å; G104-S107 PolarHBondContact O-OG 2.95Å
108D91.3Very high94.6Very high75 Ų7533.7 Ų33.740%0.40119%0.193SC..THydrogen-bonded Turntrans-91.64174.2669.4000113.3F106 I110 R115F106-D108 VanDerWaalsContact C-N 3.28Å; F106-D108 PolarHBondContact O-N 3.35Å; D108-I110 VanDerWaalsContact C-N 3.28Å; D108-I110 PolarHBondContact O-N 3.04Å; D108-I110 WeakPolarHBondContact OD1-CB 3.31Å; D108-I110 PolarHBondContact OD1-N 3.18Å; D108-R115 VanDerWaalsContact CG-NH2 3.34Å; D108-R115 IonicContact OD1-CZ 3.2Å; D108-R115 VanDerWaalsContact OD1-CZ 3.3Å; D108-R115 IonicContact OD1-NH1 2.82Å; D108-R115 PolarHBondContact OD1-NH1 3.32Å; D108-R115 IonicContact OD1-NH2 3.79Å; D108-R115 PolarHBondContact OD1-NH2 3.36Å; D108-R115 IonicContact OD2-CZ 2.69Å; D108-R115 IonicContact OD2-NH1 3.85Å; D108-R115 IonicContact OD2-NH2 3.37Å; D108-R115 PolarHBondContact OD2-NH2 3.27Å
109G91.7Very high94.7Very high60 Ų6033.7 Ų33.762%0.61919%0.193SC*.SBendtrans78.9-2.5-179.500000115.7F106F106-G109 PolarHBondContact O-N 2.88Å
110I92.8Very high94.9Very high88 Ų8832.2 Ų32.245%0.45119%0.185SC..  trans-81.3130.3179.1-60.1171.8000109.9D108 R115D108-I110 VanDerWaalsContact C-N 3.28Å; D108-I110 PolarHBondContact O-N 3.04Å; D108-I110 WeakPolarHBondContact OD1-CB 3.31Å; D108-I110 PolarHBondContact OD1-N 3.18Å; I110-R115 WeakPolarHBondContact O-CD 3.4Å; I110-R115 PolarHBondContact O-NE 3.47Å; I110-R115 PolarHBondContact O-NH1 2.88Å
111I93.8Very high95Very high37 Ų3727.5 Ų27.519%0.1916%0.163CC..  trans-110.8131.5172.7-55.1174.9000108.1F106 I116 I155 W158F106-I111 HydrophobicContact CD1-CG1 4.06Å; F106-I111 HydrophobicContact CE1-CG1 4.41Å; F106-I111 HydrophobicContact CE1-CG2 4.25Å; I111-I116 HydrophobicContact CG2-CD1 4.03Å; I111-I116 HydrophobicContact CG2-CG1 4.21Å; I111-I155 HydrophobicContact CD1-CG1 4.2Å; I111-I155 HydrophobicContact CG2-CG1 4.49Å; I111-I155 HydrophobicContact CG2-CG2 4.44Å; I111-W158 HydrophobicContact CB-CB 4.35Å; I111-W158 HydrophobicContact CB-CD2 4.1Å; I111-W158 HydrophobicContact CB-CG 3.84Å; I111-W158 HydrophobicContact CD1-CB 4.17Å; I111-W158 HydrophobicContact CG2-CB 3.95Å; I111-W158 HydrophobicContact CG2-CD2 3.53Å; I111-W158 HydrophobicContact CG2-CE3 3.81Å; I111-W158 HydrophobicContact CG2-CG 3.58Å; I111-W158 VanDerWaalsContact O-CE2 3.31Å; I111-W158 PolarHBondContact O-NE1 3.34Å
112N94.5Very high95.3Very high30 Ų3026.8 Ų26.816%0.1616%0.16CC..  trans-154.7165.817264.340.3000110.6S114 R115 I116 W158N112-S114 VanDerWaalsContact C-N 3.29Å; N112-S114 PolarHBondContact O-N 2.94Å; N112-S114 PolarHBondContact OD1-N 3.43Å; N112-R115 PolarHBondContact O-N 3.12Å; N112-R115 VanDerWaalsContact O-N 3.09Å; N112-R115 WeakPolarHBondContact OD1-CG 3.2Å; N112-R115 PolarHBondContact OD1-N 3.44Å; N112-I116 WeakPolarHBondContact O-CG1 3.24Å; N112-I116 PolarHBondContact O-N 3.37Å; N112-I116 VanDerWaalsContact O-N 3.07Å; N112-W158 HydrophobicContact CB-CZ2 4.42Å
113W96.2Very high95.5Very high13 Ų1326.8 Ų26.85%0.04916%0.16CC..Hα-helixtrans-52.2-43.7-178.3-69119.5000113.4R115 I116 V117 W158 V159 H162 W165 A167 V168 E171 Y172W113-R115 VanDerWaalsContact C-N 3.35Å; W113-R115 PolarHBondContact O-N 3.18Å; W113-I116 HydrophobicContact CE3-CD1 4.15Å; W113-I116 HydrophobicContact CZ3-CD1 4.37Å; W113-I116 PolarHBondContact O-N 2.93Å; W113-V117 WeakPolarHBondContact O-CG2 3.35Å; W113-V117 PolarHBondContact O-N 3.19Å; W113-W158 AromaticContact CD1-CH2 3.89Å; W113-W158 HydrophobicContact CD2-CH2 4Å; W113-W158 AromaticContact CD2-CZ3 3.87Å; W113-W158 HydrophobicContact CD2-CZ3 3.87Å; W113-W158 AromaticContact CE2-CH2 3.81Å; W113-W158 AromaticContact CE2-CZ3 3.75Å; W113-W158 HydrophobicContact CE3-CZ3 4.17Å; W113-W158 HydrophobicContact CG-CH2 4.04Å; W113-W158 HydrophobicContact CG-CZ3 4.35Å; W113-W158 HydrophobicContact CH2-CZ3 4.26Å; W113-W158 HydrophobicContact CZ2-CH2 4.36Å; W113-W158 AromaticContact CZ2-CZ3 3.94Å; W113-W158 HydrophobicContact CZ2-CZ3 3.94Å; W113-W158 HydrophobicContact CZ3-CZ3 4.36Å; W113-W158 AromaticContact NE1-CH2 3.72Å; W113-V159 HydrophobicContact CH2-CB 4.44Å; W113-V159 HydrophobicContact CH2-CG1 4.01Å; W113-V159 HydrophobicContact CH2-CG2 4.03Å; W113-V159 HydrophobicContact CZ3-CG2 4.05Å; W113-H162 HydrophobicContact CZ2-CB 4.38Å; W113-W165 HydrophobicContact CH2-CE3 4.49Å; W113-W165 AromaticContact CZ3-CE3 3.96Å; W113-W165 HydrophobicContact CZ3-CE3 3.96Å; W113-W165 HydrophobicContact CZ3-CZ3 4.19Å; W113-A167 HydrophobicContact CZ2-CB 3.98Å; W113-V168 HydrophobicContact CB-CG2 4.27Å; W113-V168 HydrophobicContact CD2-CB 3.88Å; W113-V168 HydrophobicContact CD2-CG2 3.75Å; W113-V168 HydrophobicContact CE3-CB 3.86Å; W113-V168 HydrophobicContact CE3-CG2 3.8Å; W113-V168 HydrophobicContact CG-CG2 3.96Å; W113-V168 HydrophobicContact CH2-CB 4.21Å; W113-V168 HydrophobicContact CZ2-CB 4.25Å; W113-V168 HydrophobicContact CZ3-CB 4.03Å; W113-V168 HydrophobicContact CZ3-CG2 4.44Å; W113-E171 PolarHBondContact NE1-OE2 3.37Å; W113-E171 VanDerWaalsContact NE1-OE2 3.08Å; W113-Y172 HydrophobicContact CB-CD2 3.98Å
114S95.3Very high95.6Very high6 Ų622.1 Ų22.14%0.04214%0.14CC..Hα-helixtrans-60.6-42.5179.7-52.80000112.3L74 N112 V117 V118 Y172 N177L74-S114 WeakPolarHBondContact CD1-O 3.27Å; N112-S114 VanDerWaalsContact C-N 3.29Å; N112-S114 PolarHBondContact O-N 2.94Å; N112-S114 PolarHBondContact OD1-N 3.43Å; S114-V117 PolarHBondContact O-N 2.63Å; S114-V118 VanDerWaalsContact O-CG2 3.31Å; S114-V118 WeakPolarHBondContact O-CG2 3.41Å; S114-V118 PolarHBondContact O-N 3.43Å; S114-Y172 WeakPolarHBondContact OG-CE2 3.45Å; S114-N177 WeakPolarHBondContact CB-ND2 3.09Å; S114-N177 PolarHBondContact OG-ND2 3.45Å
115R96Very high95.8Very high16 Ų1622.4 Ų22.46%0.0614%0.135CC..Hα-helixtrans-70.4-36.4178.5-67.8172.1-173.8-1373.9112.8V105 F106 D108 I110 N112 W113 V117 V118 L119V105-R115 HydrophobicContact CG1-CB 4.05Å; V105-R115 HydrophobicContact CG1-CG 4.47Å; V105-R115 PolarHBondContact O-NH1 2.93Å; F106-R115 HydrophobicContact CD1-CB 4.15Å; F106-R115 HydrophobicContact CE1-CB 3.53Å; F106-R115 HydrophobicContact CZ-CB 3.99Å; D108-R115 VanDerWaalsContact CG-NH2 3.34Å; D108-R115 IonicContact OD1-CZ 3.2Å; D108-R115 VanDerWaalsContact OD1-CZ 3.3Å; D108-R115 IonicContact OD1-NH1 2.82Å; D108-R115 PolarHBondContact OD1-NH1 3.32Å; D108-R115 IonicContact OD1-NH2 3.79Å; D108-R115 PolarHBondContact OD1-NH2 3.36Å; D108-R115 IonicContact OD2-CZ 2.69Å; D108-R115 IonicContact OD2-NH1 3.85Å; D108-R115 IonicContact OD2-NH2 3.37Å; D108-R115 PolarHBondContact OD2-NH2 3.27Å; I110-R115 WeakPolarHBondContact O-CD 3.4Å; I110-R115 PolarHBondContact O-NE 3.47Å; I110-R115 PolarHBondContact O-NH1 2.88Å; N112-R115 PolarHBondContact O-N 3.12Å; N112-R115 VanDerWaalsContact O-N 3.09Å; N112-R115 WeakPolarHBondContact OD1-CG 3.2Å; N112-R115 PolarHBondContact OD1-N 3.44Å; W113-R115 VanDerWaalsContact C-N 3.35Å; W113-R115 PolarHBondContact O-N 3.18Å; R115-V117 VanDerWaalsContact C-N 3.34Å; R115-V118 PolarHBondContact O-N 2.96Å; R115-L119 PolarHBondContact O-N 3.33Å
116I98Very high95.9Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-62.6-44.8173.8-62.4168.8000109.7F106 I111 N112 W113 V118 L119 F120 I155 W158 V159 W165F106-I116 HydrophobicContact CZ-CG1 4.48Å; I111-I116 HydrophobicContact CG2-CD1 4.03Å; I111-I116 HydrophobicContact CG2-CG1 4.21Å; N112-I116 WeakPolarHBondContact O-CG1 3.24Å; N112-I116 PolarHBondContact O-N 3.37Å; N112-I116 VanDerWaalsContact O-N 3.07Å; W113-I116 HydrophobicContact CE3-CD1 4.15Å; W113-I116 HydrophobicContact CZ3-CD1 4.37Å; W113-I116 PolarHBondContact O-N 2.93Å; I116-V118 PolarHBondContact O-N 3.34Å; I116-L119 WeakPolarHBondContact O-CB 3.37Å; I116-L119 PolarHBondContact O-N 3.47Å; I116-F120 HydrophobicContact CG2-CE1 4.1Å; I116-F120 HydrophobicContact CG2-CE2 4.2Å; I116-F120 HydrophobicContact CG2-CZ 3.86Å; I116-F120 PolarHBondContact O-N 3.12Å; I116-F120 VanDerWaalsContact O-N 3.09Å; I116-I155 HydrophobicContact CD1-CG2 3.73Å; I116-I155 HydrophobicContact CG1-CG2 3.73Å; I116-W158 HydrophobicContact CD1-CE3 3.64Å; I116-W158 HydrophobicContact CD1-CZ3 3.56Å; I116-V159 HydrophobicContact CD1-CG2 3.86Å; I116-W165 HydrophobicContact CG2-CH2 4.21Å; I116-W165 HydrophobicContact CG2-CZ3 3.9Å
117V97.6Very high96.1Very high0 Ų020.9 Ų20.90%013%0.127CC..Hα-helixtrans-65.2-38175.8176.80000111.6F37 L67 I70 L74 W113 S114 R115 L119 F120 M121F37-V117 HydrophobicContact CZ-CG1 4.46Å; L67-V117 HydrophobicContact CD2-CG2 3.72Å; I70-V117 HydrophobicContact CB-CG1 4.35Å; I70-V117 HydrophobicContact CB-CG2 4.26Å; I70-V117 HydrophobicContact CG2-CB 3.97Å; I70-V117 HydrophobicContact CG2-CG1 3.91Å; I70-V117 HydrophobicContact CG2-CG2 3.81Å; L74-V117 HydrophobicContact CD1-CB 4.16Å; L74-V117 HydrophobicContact CD1-CG1 4.13Å; W113-V117 WeakPolarHBondContact O-CG2 3.35Å; W113-V117 PolarHBondContact O-N 3.19Å; S114-V117 PolarHBondContact O-N 2.63Å; R115-V117 VanDerWaalsContact C-N 3.34Å; V117-L119 VanDerWaalsContact C-N 3.31Å; V117-L119 PolarHBondContact O-N 3.48Å; V117-F120 PolarHBondContact O-N 3.27Å; V117-F120 VanDerWaalsContact O-N 3.11Å; V117-M121 HydrophobicContact CG1-CG 4.23Å; V117-M121 HydrophobicContact CG1-SD 4.02Å; V117-M121 VanDerWaalsContact O-CG 3.24Å; V117-M121 WeakPolarHBondContact O-CG 3.39Å; V117-M121 PolarHBondContact O-N 3.02Å
118V97.2Very high96.2Very high6 Ų620 Ų204%0.03612%0.117CC..Hα-helixtrans-59.7-39.4172.6167.70000111.9L74 Y78 L82 V105 S114 R115 I116 M121 F122L74-V118 HydrophobicContact CD1-CG2 4.1Å; Y78-V118 HydrophobicContact CD2-CG2 3.61Å; Y78-V118 HydrophobicContact CE2-CG2 3.84Å; Y78-V118 HydrophobicContact CG-CG2 3.99Å; L82-V118 HydrophobicContact CD1-CG1 4.37Å; L82-V118 HydrophobicContact CD2-CG1 4.18Å; V105-V118 HydrophobicContact CG1-CB 4.25Å; V105-V118 HydrophobicContact CG1-CG1 3.91Å; V105-V118 HydrophobicContact CG2-CG1 4.1Å; S114-V118 VanDerWaalsContact O-CG2 3.31Å; S114-V118 WeakPolarHBondContact O-CG2 3.41Å; S114-V118 PolarHBondContact O-N 3.43Å; R115-V118 PolarHBondContact O-N 2.96Å; I116-V118 PolarHBondContact O-N 3.34Å; V118-M121 PolarHBondContact O-N 2.93Å; V118-F122 PolarHBondContact O-N 2.78Å
119L98.4Very high96.3Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-61.7-42.9173.1174.267.3000111.6F98 A102 F106 R115 I116 V117 F122 A123 V146 F149 V150 I155F98-L119 HydrophobicContact CZ-CD1 4.23Å; A102-L119 HydrophobicContact CB-CD1 3.72Å; F106-L119 HydrophobicContact CE2-CB 4.27Å; F106-L119 HydrophobicContact CE2-CD2 4.28Å; F106-L119 HydrophobicContact CZ-CB 4.48Å; R115-L119 PolarHBondContact O-N 3.33Å; I116-L119 WeakPolarHBondContact O-CB 3.37Å; I116-L119 PolarHBondContact O-N 3.47Å; V117-L119 VanDerWaalsContact C-N 3.31Å; V117-L119 PolarHBondContact O-N 3.48Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 3.5Å; L119-A123 PolarHBondContact O-N 2.99Å; L119-A123 VanDerWaalsContact O-N 3.1Å; L119-V146 HydrophobicContact CD2-CG1 4.36Å; L119-V146 HydrophobicContact CG-CG1 4.49Å; L119-F149 HydrophobicContact CD1-CD1 4.34Å; L119-F149 HydrophobicContact CD2-CD1 3.59Å; L119-F149 HydrophobicContact CD2-CE1 4.01Å; L119-V150 HydrophobicContact CD2-CG2 4.24Å; L119-I155 HydrophobicContact CD2-CD1 4.09Å
120F98.6Very high96.4Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-68.4-37.7177.6-63.8-4.9000111.7I33 V34 F37 L67 I116 V117 F122 A123 V124 V146 V150 W165I33-F120 HydrophobicContact CG2-CE2 4.32Å; V34-F120 HydrophobicContact CG2-CD1 4.32Å; V34-F120 HydrophobicContact CG2-CE1 3.71Å; V34-F120 HydrophobicContact CG2-CE2 4.34Å; V34-F120 HydrophobicContact CG2-CZ 3.71Å; F37-F120 HydrophobicContact CD1-CB 3.65Å; F37-F120 HydrophobicContact CD1-CD2 4.42Å; F37-F120 HydrophobicContact CD1-CG 4.45Å; F37-F120 HydrophobicContact CE1-CB 3.46Å; F37-F120 VanDerWaalsContact CE1-CB 3.46Å; F37-F120 HydrophobicContact CG-CB 4.33Å; F37-F120 HydrophobicContact CG-CD2 4.29Å; F37-F120 HydrophobicContact CZ-CB 3.97Å; L67-F120 HydrophobicContact CD1-CE2 4.37Å; I116-F120 HydrophobicContact CG2-CE1 4.1Å; I116-F120 HydrophobicContact CG2-CE2 4.2Å; I116-F120 HydrophobicContact CG2-CZ 3.86Å; I116-F120 PolarHBondContact O-N 3.12Å; I116-F120 VanDerWaalsContact O-N 3.09Å; V117-F120 PolarHBondContact O-N 3.27Å; V117-F120 VanDerWaalsContact O-N 3.11Å; F120-F122 VanDerWaalsContact C-N 3.34Å; F120-F122 PolarHBondContact O-N 3.28Å; F120-A123 WeakPolarHBondContact O-CB 3.34Å; F120-A123 PolarHBondContact O-N 3.44Å; F120-V124 WeakPolarHBondContact O-CG2 3.29Å; F120-V124 PolarHBondContact O-N 3.45Å; F120-V146 HydrophobicContact CD1-CG1 3.74Å; F120-V146 HydrophobicContact CE1-CG1 3.65Å; F120-V150 HydrophobicContact CE1-CG2 4.32Å; F120-W165 HydrophobicContact CE2-CZ3 4.2Å; F120-W165 AromaticContact CZ-CH2 3.79Å; F120-W165 HydrophobicContact CZ-CH2 3.79Å; F120-W165 AromaticContact CZ-CZ3 3.87Å; F120-W165 HydrophobicContact CZ-CZ3 3.87Å
121M98.3Very high96.5Very high2 Ų214.5 Ų14.51%0.017%0.073CC..Hα-helixtrans-61.5-42.3172.6-68.9167.370.300111.4F37 S71 L74 E75 L82 V117 V118 A123 V124 K125F37-M121 HydrophobicContact CZ-CG 4.27Å; S71-M121 WeakPolarHBondContact O-CE 3.37Å; L74-M121 HydrophobicContact CB-CE 4.14Å; L74-M121 HydrophobicContact CB-SD 3.85Å; E75-M121 HydrophobicContact CB-CE 4.25Å; E75-M121 WeakPolarHBondContact OE2-CE 3.32Å; L82-M121 HydrophobicContact CD1-CB 3.56Å; L82-M121 HydrophobicContact CD1-CE 4.16Å; V117-M121 HydrophobicContact CG1-CG 4.23Å; V117-M121 HydrophobicContact CG1-SD 4.02Å; V117-M121 VanDerWaalsContact O-CG 3.24Å; V117-M121 WeakPolarHBondContact O-CG 3.39Å; V117-M121 PolarHBondContact O-N 3.02Å; V118-M121 PolarHBondContact O-N 2.93Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 3.35Å; M121-V124 WeakPolarHBondContact O-CB 3.47Å; M121-V124 PolarHBondContact O-N 3.34Å; M121-K125 WeakPolarHBondContact O-CG 3.44Å; M121-K125 PolarHBondContact O-N 2.93Å
122F97.8Very high96.4Very high0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-56-47.5173.3172.2-122.5000111.2L82 D85 W89 F98 I101 V118 L119 F120 V124 K125 V126L82-F122 HydrophobicContact CD2-CB 3.84Å; L82-F122 HydrophobicContact CD2-CD2 4.41Å; D85-F122 HydrophobicContact CB-CD2 4.2Å; D85-F122 HydrophobicContact CB-CE2 3.97Å; W89-F122 HydrophobicContact CB-CZ 4.24Å; W89-F122 HydrophobicContact CG-CZ 4.44Å; F98-F122 HydrophobicContact CD2-CD1 4.35Å; F98-F122 AromaticContact CD2-CE1 3.56Å; F98-F122 HydrophobicContact CD2-CE1 3.56Å; F98-F122 HydrophobicContact CD2-CZ 4.33Å; F98-F122 AromaticContact CE2-CD1 3.89Å; F98-F122 HydrophobicContact CE2-CD1 3.89Å; F98-F122 AromaticContact CE2-CE1 3.56Å; F98-F122 HydrophobicContact CE2-CE1 3.56Å; F98-F122 HydrophobicContact CG-CE1 4.39Å; F98-F122 HydrophobicContact CZ-CD1 4.5Å; F98-F122 HydrophobicContact CZ-CE1 4.39Å; I101-F122 HydrophobicContact CB-CE1 4.17Å; I101-F122 HydrophobicContact CB-CZ 3.91Å; I101-F122 HydrophobicContact CD1-CE2 4.21Å; I101-F122 HydrophobicContact CD1-CZ 3.82Å; I101-F122 HydrophobicContact CG1-CZ 4.49Å; I101-F122 HydrophobicContact CG2-CD1 4.32Å; I101-F122 HydrophobicContact CG2-CD2 4.17Å; I101-F122 HydrophobicContact CG2-CE1 3.87Å; I101-F122 HydrophobicContact CG2-CE2 3.73Å; I101-F122 HydrophobicContact CG2-CG 4.45Å; I101-F122 HydrophobicContact CG2-CZ 3.57Å; V118-F122 PolarHBondContact O-N 2.78Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 3.5Å; F120-F122 VanDerWaalsContact C-N 3.34Å; F120-F122 PolarHBondContact O-N 3.28Å; F122-V124 VanDerWaalsContact C-N 3.32Å; F122-V124 PolarHBondContact O-N 2.86Å; F122-K125 PolarHBondContact O-N 3.31Å; F122-K125 VanDerWaalsContact O-N 3.14Å; F122-V126 HydrophobicContact CD2-CG2 3.99Å; F122-V126 HydrophobicContact CE1-CG2 4.24Å; F122-V126 HydrophobicContact CE2-CG2 3.47Å; F122-V126 VanDerWaalsContact CE2-CG2 3.47Å; F122-V126 HydrophobicContact CZ-CG2 3.61Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 3.39Å
123A98.1Very high96.4Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-57-44.9176.100000112L119 F120 M121 K125 V126 V127 I142 V146L119-A123 PolarHBondContact O-N 2.99Å; L119-A123 VanDerWaalsContact O-N 3.1Å; F120-A123 WeakPolarHBondContact O-CB 3.34Å; F120-A123 PolarHBondContact O-N 3.44Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 3.35Å; A123-K125 PolarHBondContact O-N 3.23Å; A123-V126 PolarHBondContact O-N 2.91Å; A123-V127 WeakPolarHBondContact O-CG2 3.22Å; A123-V127 PolarHBondContact O-N 3.45Å; A123-I142 HydrophobicContact CB-CG2 3.75Å; A123-V146 HydrophobicContact CB-CG2 3.48Å; A123-V146 VanDerWaalsContact CB-CG2 3.48Å
124V97.9Very high96.2Very high5 Ų522.7 Ų22.73%0.0314%0.136CC..Hα-helixtrans-58.2-47.5174.61710000111.7F37 V38 K41 F120 M121 F122 V126 V127 I128F37-V124 HydrophobicContact CD1-CG2 4.01Å; F37-V124 HydrophobicContact CE1-CG2 3.72Å; V38-V124 HydrophobicContact CB-CG2 4.28Å; V38-V124 HydrophobicContact CG1-CG2 4.46Å; V38-V124 HydrophobicContact CG2-CG2 3.91Å; K41-V124 HydrophobicContact CB-CB 4.37Å; K41-V124 HydrophobicContact CB-CG1 3.67Å; K41-V124 HydrophobicContact CB-CG2 3.75Å; K41-V124 HydrophobicContact CG-CG1 4.46Å; K41-V124 HydrophobicContact CG-CG2 4.01Å; F120-V124 WeakPolarHBondContact O-CG2 3.29Å; F120-V124 PolarHBondContact O-N 3.45Å; M121-V124 WeakPolarHBondContact O-CB 3.47Å; M121-V124 PolarHBondContact O-N 3.34Å; F122-V124 VanDerWaalsContact C-N 3.32Å; F122-V124 PolarHBondContact O-N 2.86Å; V124-V126 VanDerWaalsContact C-N 3.28Å; V124-V126 PolarHBondContact O-N 3.46Å; V124-V127 PolarHBondContact O-N 2.92Å; V124-I128 HydrophobicContact CG1-CD1 3.77Å; V124-I128 HydrophobicContact CG1-CG1 4.37Å; V124-I128 WeakPolarHBondContact O-CG1 3.42Å; V124-I128 PolarHBondContact O-N 3.45Å
125K97.5Very high96Very high28 Ų2827.8 Ų27.812%0.12216%0.157CC..Hα-helixtrans-59.8-41.4178.2-63.1-47.8-169.5157.90111.4E75 L82 N83 A86 M121 F122 A123 I128 N129E75-K125 VanDerWaalsContact OE1-CE 3.31Å; E75-K125 WeakPolarHBondContact OE1-CE 3.24Å; E75-K125 IonicContact OE1-NZ 3.55Å; E75-K125 PolarHBondContact OE1-NZ 2.87Å; L82-K125 HydrophobicContact CB-CG 3.77Å; N83-K125 WeakPolarHBondContact OD1-CD 3.46Å; N83-K125 VanDerWaalsContact OD1-CE 3.24Å; N83-K125 WeakPolarHBondContact OD1-CE 3.47Å; N83-K125 PolarHBondContact OD1-NZ 3.43Å; A86-K125 HydrophobicContact CB-CB 3.69Å; M121-K125 WeakPolarHBondContact O-CG 3.44Å; M121-K125 PolarHBondContact O-N 2.93Å; F122-K125 PolarHBondContact O-N 3.31Å; F122-K125 VanDerWaalsContact O-N 3.14Å; A123-K125 PolarHBondContact O-N 3.23Å; K125-I128 PolarHBondContact O-N 2.99Å; K125-N129 WeakPolarHBondContact O-CB 3.32Å; K125-N129 PolarHBondContact O-N 3.01Å
126V96.7Very high95.7Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-62.9-46.3176.1174.80000111.4A86 W89 F122 A123 V124 N129 A130 I142A86-V126 HydrophobicContact CB-CG2 3.88Å; W89-V126 HydrophobicContact CB-CG2 4.43Å; W89-V126 HydrophobicContact CD2-CG1 3.86Å; W89-V126 HydrophobicContact CD2-CG2 4.38Å; W89-V126 HydrophobicContact CE3-CB 4.36Å; W89-V126 HydrophobicContact CE3-CG1 3.19Å; W89-V126 HydrophobicContact CE3-CG2 4.27Å; W89-V126 HydrophobicContact CG-CG2 4.45Å; W89-V126 HydrophobicContact CH2-CG1 4.03Å; W89-V126 HydrophobicContact CZ3-CG1 3.28Å; F122-V126 HydrophobicContact CD2-CG2 3.99Å; F122-V126 HydrophobicContact CE1-CG2 4.24Å; F122-V126 HydrophobicContact CE2-CG2 3.47Å; F122-V126 VanDerWaalsContact CE2-CG2 3.47Å; F122-V126 HydrophobicContact CZ-CG2 3.61Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 3.39Å; A123-V126 PolarHBondContact O-N 2.91Å; V124-V126 VanDerWaalsContact C-N 3.28Å; V124-V126 PolarHBondContact O-N 3.46Å; V126-N129 PolarHBondContact O-N 2.74Å; V126-A130 WeakPolarHBondContact O-CB 3.38Å; V126-A130 PolarHBondContact O-N 3.24Å; V126-I142 HydrophobicContact CB-CD1 4.45Å; V126-I142 HydrophobicContact CG1-CD1 3.49Å; V126-I142 VanDerWaalsContact CG1-CD1 3.49Å; V126-I142 HydrophobicContact CG1-CG1 3.71Å
127V97Very high95.4Very high0 Ų033.9 Ų33.90%021%0.213CC..Hα-helixtrans-64-43179.4175.80000111.5V38 L42 A123 V124 N129 A130 I131 A139 I142V38-V127 HydrophobicContact CG1-CB 4.45Å; V38-V127 HydrophobicContact CG1-CG1 4.42Å; V38-V127 HydrophobicContact CG1-CG2 4.25Å; L42-V127 HydrophobicContact CD1-CG1 3.79Å; L42-V127 HydrophobicContact CD2-CG1 4.17Å; A123-V127 WeakPolarHBondContact O-CG2 3.22Å; A123-V127 PolarHBondContact O-N 3.45Å; V124-V127 PolarHBondContact O-N 2.92Å; V127-N129 VanDerWaalsContact C-N 3.34Å; V127-N129 PolarHBondContact O-N 3.3Å; V127-A130 PolarHBondContact O-N 3.04Å; V127-I131 HydrophobicContact CG1-CD1 3.73Å; V127-I131 HydrophobicContact CG1-CG1 4.35Å; V127-I131 WeakPolarHBondContact O-CB 3.33Å; V127-I131 VanDerWaalsContact O-CG1 3.26Å; V127-I131 WeakPolarHBondContact O-CG1 3.26Å; V127-I131 PolarHBondContact O-N 2.94Å; V127-A139 HydrophobicContact CG1-CB 3.84Å; V127-A139 HydrophobicContact CG2-CB 4.32Å; V127-I142 HydrophobicContact CG2-CB 3.99Å; V127-I142 HydrophobicContact CG2-CG1 4.29Å; V127-I142 HydrophobicContact CG2-CG2 3.92Å
128I95.7Very high95.2Very high55 Ų5535.7 Ų35.728%0.28222%0.222SC..Hα-helixtrans-59-47.4174.1-68.3171.1000110.4L42 V124 K125 A130 I131 S132L42-I128 HydrophobicContact CD2-CD1 4.16Å; L42-I128 HydrophobicContact CD2-CG1 3.34Å; V124-I128 HydrophobicContact CG1-CD1 3.77Å; V124-I128 HydrophobicContact CG1-CG1 4.37Å; V124-I128 WeakPolarHBondContact O-CG1 3.42Å; V124-I128 PolarHBondContact O-N 3.45Å; K125-I128 PolarHBondContact O-N 2.99Å; I128-A130 PolarHBondContact O-N 3.27Å; I128-I131 PolarHBondContact O-N 3.33Å; I128-S132 WeakPolarHBondContact O-CB 3.29Å; I128-S132 PolarHBondContact O-N 3.02Å; I128-S132 PolarHBondContact O-OG 2.96Å
129N94.3Very high95Very high22 Ų2236.6 Ų36.612%0.11823%0.23CC..Hα-helixtrans-62.2-44.6-179.9-158.6-74.4000111.3E87 I90 K125 V126 V127 S132 K133E87-N129 WeakPolarHBondContact CG-ND2 3.37Å; I90-N129 WeakPolarHBondContact CG2-OD1 3.46Å; K125-N129 WeakPolarHBondContact O-CB 3.32Å; K125-N129 PolarHBondContact O-N 3.01Å; V126-N129 PolarHBondContact O-N 2.74Å; V127-N129 VanDerWaalsContact C-N 3.34Å; V127-N129 PolarHBondContact O-N 3.3Å; N129-S132 PolarHBondContact O-N 3.44Å; N129-S132 PolarHBondContact O-OG 2.9Å; N129-K133 WeakPolarHBondContact O-CG 3.45Å; N129-K133 PolarHBondContact O-N 3.5Å; N129-K133 WeakPolarHBondContact OD1-CD 3.4Å; N129-K133 WeakPolarHBondContact OD1-CE 3.28Å; N129-K133 PolarHBondContact OD1-NZ 3.24Å
130A93.9Very high94.8Very high1 Ų138 Ų381%0.00824%0.244CC..Hα-helixtrans-60.5-47.7176.700000111.8I90 V126 V127 I128 S132 K133 G134 F135 L138I90-A130 HydrophobicContact CD1-CB 4.21Å; V126-A130 WeakPolarHBondContact O-CB 3.38Å; V126-A130 PolarHBondContact O-N 3.24Å; V127-A130 PolarHBondContact O-N 3.04Å; I128-A130 PolarHBondContact O-N 3.27Å; A130-S132 PolarHBondContact O-N 2.68Å; A130-K133 CarbonylContact O-C 3.6Å; A130-K133 PolarHBondContact O-N 3.49Å; A130-G134 PolarHBondContact O-N 3Å; A130-F135 HydrophobicContact CB-CB 4.2Å; A130-F135 CarbonylContact O-C 3.6Å; A130-F135 WeakPolarHBondContact O-CA 3.31Å; A130-F135 PolarHBondContact O-N 3.35Å; A130-L138 HydrophobicContact CB-CB 4.26Å; A130-L138 HydrophobicContact CB-CD1 4.25Å
131I93.8Very high94.7Very high83 Ų8340.4 Ų40.443%0.42626%0.257SS..Hα-helixtrans-59.7-46.2176.6-68.9167.3000110.7L42 V127 I128 K133 G134L42-I131 HydrophobicContact CD1-CD1 4.27Å; L42-I131 HydrophobicContact CD2-CD1 4.42Å; V127-I131 HydrophobicContact CG1-CD1 3.73Å; V127-I131 HydrophobicContact CG1-CG1 4.35Å; V127-I131 WeakPolarHBondContact O-CB 3.33Å; V127-I131 VanDerWaalsContact O-CG1 3.26Å; V127-I131 WeakPolarHBondContact O-CG1 3.26Å; V127-I131 PolarHBondContact O-N 2.94Å; I128-I131 PolarHBondContact O-N 3.33Å; I131-K133 PolarHBondContact O-N 2.86Å; I131-K133 VanDerWaalsContact O-N 3.14Å; I131-G134 PolarHBondContact O-N 2.89Å
132S92.3Very high94.6Very high90 Ų9040.3 Ų40.363%0.62926%0.257SS*.Hα-helixtrans-61.1-24.3-179.974.20000113.6I128 N129 A130I128-S132 WeakPolarHBondContact O-CB 3.29Å; I128-S132 PolarHBondContact O-N 3.02Å; I128-S132 PolarHBondContact O-OG 2.96Å; N129-S132 PolarHBondContact O-N 3.44Å; N129-S132 PolarHBondContact O-OG 2.9Å; A130-S132 PolarHBondContact O-N 2.68Å
133K93.1Very high94.6Very high100 Ų10041.1 Ų41.144%0.43526%0.261SS..THydrogen-bonded Turntrans-99.57178.6-69.1176.1177.5169.50113.8I90 N129 A130 I131 F135I90-K133 HydrophobicContact CG1-CD 3.96Å; N129-K133 WeakPolarHBondContact O-CG 3.45Å; N129-K133 PolarHBondContact O-N 3.5Å; N129-K133 WeakPolarHBondContact OD1-CD 3.4Å; N129-K133 WeakPolarHBondContact OD1-CE 3.28Å; N129-K133 PolarHBondContact OD1-NZ 3.24Å; A130-K133 CarbonylContact O-C 3.6Å; A130-K133 PolarHBondContact O-N 3.49Å; I131-K133 PolarHBondContact O-N 2.86Å; I131-K133 VanDerWaalsContact O-N 3.14Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-F135 HydrophobicContact CB-CD2 3.59Å; K133-F135 HydrophobicContact CB-CE2 3.72Å
134G92.2Very high94.5Very high63 Ų6347.2 Ų47.265%0.64928%0.284SS*.THydrogen-bonded Turntrans79.811.6-179.900000115A130 I131A130-G134 PolarHBondContact O-N 3Å; I131-G134 PolarHBondContact O-N 2.89Å
135F92.5Very high94.5Very high113 Ų11348.9 Ų48.950%0.49629%0.291SS..  trans-99.443.2177.8-53.8-60.5000112.4I90 A130 K133 G137 L138I90-F135 HydrophobicContact CD1-CD2 4.18Å; A130-F135 HydrophobicContact CB-CB 4.2Å; A130-F135 CarbonylContact O-C 3.6Å; A130-F135 WeakPolarHBondContact O-CA 3.31Å; A130-F135 PolarHBondContact O-N 3.35Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-F135 HydrophobicContact CB-CD2 3.59Å; K133-F135 HydrophobicContact CB-CE2 3.72Å; F135-G137 PolarHBondContact O-N 3.48Å; F135-G137 VanDerWaalsContact O-N 3.12Å; F135-L138 HydrophobicContact CB-CD1 3.66Å; F135-L138 HydrophobicContact CB-CG 4.08Å; F135-L138 HydrophobicContact CG-CD1 4.36Å; F135-L138 WeakPolarHBondContact O-CB 3.49Å; F135-L138 PolarHBondContact O-N 3.29Å
136S89Confident94.6Very high79 Ų7947.5 Ų47.555%0.55229%0.285SS*.THydrogen-bonded Turntrans-58.7-26.8-176.655.40000113.9L138 A139S136-L138 PolarHBondContact O-N 3.2Å; S136-A139 WeakPolarHBondContact O-CB 3.32Å; S136-A139 PolarHBondContact O-N 3.44Å
137G91.5Very high94.6Very high65 Ų6548 Ų4867%0.6729%0.288SS*.THydrogen-bonded Turntrans-61-20.7175.800000114.5F135 A139F135-G137 PolarHBondContact O-N 3.48Å; F135-G137 VanDerWaalsContact O-N 3.12Å; G137-A139 PolarHBondContact O-N 2.88Å
138L92.6Very high94.7Very high37 Ų3752.8 Ų52.819%0.19431%0.308CS..Hα-helixtrans-72.4-15178.2-64.9177.3000113.2W89 I90 A93 A130 F135 S136 G140 D141 I142W89-L138 HydrophobicContact CH2-CD1 4.12Å; W89-L138 HydrophobicContact CZ3-CD1 4.24Å; I90-L138 HydrophobicContact CD1-CD1 4.08Å; A93-L138 HydrophobicContact CB-CD1 4.41Å; A130-L138 HydrophobicContact CB-CB 4.26Å; A130-L138 HydrophobicContact CB-CD1 4.25Å; F135-L138 HydrophobicContact CB-CD1 3.66Å; F135-L138 HydrophobicContact CB-CG 4.08Å; F135-L138 HydrophobicContact CG-CD1 4.36Å; F135-L138 WeakPolarHBondContact O-CB 3.49Å; F135-L138 PolarHBondContact O-N 3.29Å; S136-L138 PolarHBondContact O-N 3.2Å; L138-G140 VanDerWaalsContact C-N 3.3Å; L138-G140 PolarHBondContact O-N 3.46Å; L138-D141 WeakPolarHBondContact O-CB 3.36Å; L138-D141 PolarHBondContact O-N 2.8Å; L138-I142 WeakPolarHBondContact O-CG1 3.36Å; L138-I142 PolarHBondContact O-N 3.32Å
139A93.3Very high94.7Very high25 Ų2550.3 Ų50.321%0.20730%0.296CS..Hα-helixtrans-57.2-43.4-175.500000112.6V127 S136 G137 I142 I143V127-A139 HydrophobicContact CG1-CB 3.84Å; V127-A139 HydrophobicContact CG2-CB 4.32Å; S136-A139 WeakPolarHBondContact O-CB 3.32Å; S136-A139 PolarHBondContact O-N 3.44Å; G137-A139 PolarHBondContact O-N 2.88Å; A139-I142 PolarHBondContact O-N 2.92Å; A139-I143 WeakPolarHBondContact O-CG1 3.16Å; A139-I143 PolarHBondContact O-N 2.86Å; A139-I143 VanDerWaalsContact O-N 3.16Å
140G94.8Very high94.9Very high29 Ų2949.2 Ų49.230%0.29929%0.29SS..Hα-helixtrans-66.8-36.4176.100000113.1L138 I142 I143 R144L138-G140 VanDerWaalsContact C-N 3.3Å; L138-G140 PolarHBondContact O-N 3.46Å; G140-I142 VanDerWaalsContact C-N 3.34Å; G140-I143 PolarHBondContact O-N 3.26Å; G140-R144 WeakPolarHBondContact O-CG 3.49Å; G140-R144 PolarHBondContact O-N 3.3Å
141D95.6Very high95.1Very high51 Ų5152 Ų5227%0.27330%0.302SS..Hα-helixtrans-63.4-41.8174.7-68.8-44.9000111.5L138 R144 F145L138-D141 WeakPolarHBondContact O-CB 3.36Å; L138-D141 PolarHBondContact O-N 2.8Å; D141-R144 PolarHBondContact O-N 2.89Å; D141-R144 IonicContact OD1-CZ 2.72Å; D141-R144 IonicContact OD1-NE 2.69Å; D141-R144 IonicContact OD1-NH2 3.85Å; D141-R144 PolarHBondContact OD1-NH2 3.34Å; D141-F145 HydrophobicContact CB-CE1 4.47Å; D141-F145 HydrophobicContact CB-CE2 4.44Å; D141-F145 HydrophobicContact CB-CZ 4.2Å; D141-F145 WeakPolarHBondContact O-CB 3.33Å; D141-F145 WeakPolarHBondContact O-CD1 3.23Å; D141-F145 WeakPolarHBondContact O-CG 3.3Å; D141-F145 PolarHBondContact O-N 2.99Å
142I97.2Very high95.2Very high0 Ų053.1 Ų53.10%031%0.308CS..Hα-helixtrans-64.1-42.8178.7-64.2-55.6000111.9W89 F98 A123 V126 V127 L138 A139 G140 R144 F145 V146W89-I142 HydrophobicContact CH2-CD1 3.45Å; W89-I142 VanDerWaalsContact CH2-CD1 3.45Å; W89-I142 HydrophobicContact CH2-CG1 4.37Å; W89-I142 HydrophobicContact CZ2-CD1 3.51Å; W89-I142 HydrophobicContact CZ3-CD1 4.02Å; F98-I142 HydrophobicContact CD2-CD1 4.48Å; A123-I142 HydrophobicContact CB-CG2 3.75Å; V126-I142 HydrophobicContact CB-CD1 4.45Å; V126-I142 HydrophobicContact CG1-CD1 3.49Å; V126-I142 VanDerWaalsContact CG1-CD1 3.49Å; V126-I142 HydrophobicContact CG1-CG1 3.71Å; V127-I142 HydrophobicContact CG2-CB 3.99Å; V127-I142 HydrophobicContact CG2-CG1 4.29Å; V127-I142 HydrophobicContact CG2-CG2 3.92Å; L138-I142 WeakPolarHBondContact O-CG1 3.36Å; L138-I142 PolarHBondContact O-N 3.32Å; A139-I142 PolarHBondContact O-N 2.92Å; G140-I142 VanDerWaalsContact C-N 3.34Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-F145 HydrophobicContact CD1-CD2 4.03Å; I142-F145 HydrophobicContact CD1-CE2 4.48Å; I142-F145 PolarHBondContact O-N 3.23Å; I142-V146 WeakPolarHBondContact O-CG2 3.22Å; I142-V146 PolarHBondContact O-N 2.94Å
143I97.2Very high95.4Very high17 Ų1752.1 Ų52.19%0.08729%0.293CS..Hα-helixtrans-59.5-49.2175.4-66.7163.8000109.4E31 V34 E35 A139 G140 F145 V146 V147E31-I143 HydrophobicContact CG-CG2 4.09Å; V34-I143 HydrophobicContact CB-CG2 4.46Å; V34-I143 HydrophobicContact CG1-CG1 4.45Å; V34-I143 HydrophobicContact CG1-CG2 4.1Å; E35-I143 HydrophobicContact CB-CD1 4.13Å; E35-I143 HydrophobicContact CB-CG2 4.47Å; E35-I143 HydrophobicContact CG-CD1 4.04Å; A139-I143 WeakPolarHBondContact O-CG1 3.16Å; A139-I143 PolarHBondContact O-N 2.86Å; A139-I143 VanDerWaalsContact O-N 3.16Å; G140-I143 PolarHBondContact O-N 3.26Å; I143-F145 VanDerWaalsContact C-N 3.28Å; I143-F145 PolarHBondContact O-N 3.04Å; I143-V146 PolarHBondContact O-N 2.87Å; I143-V147 HydrophobicContact CG2-CG2 4.43Å; I143-V147 WeakPolarHBondContact O-CG2 3.23Å; I143-V147 PolarHBondContact O-N 3.29Å
144R97Very high95.5Very high129 Ų12948.5 Ų48.549%0.48728%0.284SS..Hα-helixtrans-57.8-38.6175.1-74.2-171.9-71.4-93.86.4112.9G140 D141 I142 K148G140-R144 WeakPolarHBondContact O-CG 3.49Å; G140-R144 PolarHBondContact O-N 3.3Å; D141-R144 PolarHBondContact O-N 2.89Å; D141-R144 IonicContact OD1-CZ 2.72Å; D141-R144 IonicContact OD1-NE 2.69Å; D141-R144 IonicContact OD1-NH2 3.85Å; D141-R144 PolarHBondContact OD1-NH2 3.34Å; I142-R144 VanDerWaalsContact C-N 3.34Å; R144-K148 WeakPolarHBondContact O-CB 3.48Å; R144-K148 PolarHBondContact O-N 2.8Å
145F98.1Very high95.8Very high39 Ų3945.6 Ų45.617%0.17125%0.254CS..Hα-helixtrans-66.8-41178.3-66.6-8.4000112.2W89 Y95 F98 D141 I142 I143 F149W89-F145 HydrophobicContact CZ2-CE2 4.22Å; Y95-F145 HydrophobicContact CD2-CB 4.04Å; Y95-F145 AromaticContact CD2-CD1 3.47Å; Y95-F145 HydrophobicContact CD2-CD1 3.47Å; Y95-F145 VanDerWaalsContact CD2-CD1 3.47Å; Y95-F145 HydrophobicContact CD2-CD2 4.06Å; Y95-F145 AromaticContact CD2-CE1 3.86Å; Y95-F145 HydrophobicContact CD2-CE1 3.86Å; Y95-F145 HydrophobicContact CD2-CE2 4.4Å; Y95-F145 AromaticContact CD2-CG 3.59Å; Y95-F145 HydrophobicContact CD2-CG 3.59Å; Y95-F145 HydrophobicContact CD2-CZ 4.31Å; Y95-F145 HydrophobicContact CE2-CB 4.22Å; Y95-F145 HydrophobicContact CE2-CD1 4.13Å; Y95-F145 HydrophobicContact CE2-CG 4.23Å; Y95-F145 HydrophobicContact CG-CD1 4.33Å; Y95-F145 HydrophobicContact CG-CE1 4.28Å; F98-F145 HydrophobicContact CB-CD2 4.14Å; F98-F145 HydrophobicContact CD1-CB 3.77Å; F98-F145 HydrophobicContact CD2-CB 4.3Å; F98-F145 HydrophobicContact CD2-CD2 4.41Å; F98-F145 HydrophobicContact CE1-CB 3.83Å; F98-F145 HydrophobicContact CE2-CB 4.35Å; F98-F145 HydrophobicContact CG-CB 4.02Å; F98-F145 HydrophobicContact CG-CD2 4.14Å; F98-F145 HydrophobicContact CZ-CB 4.13Å; D141-F145 HydrophobicContact CB-CE1 4.47Å; D141-F145 HydrophobicContact CB-CE2 4.44Å; D141-F145 HydrophobicContact CB-CZ 4.2Å; D141-F145 WeakPolarHBondContact O-CB 3.33Å; D141-F145 WeakPolarHBondContact O-CD1 3.23Å; D141-F145 WeakPolarHBondContact O-CG 3.3Å; D141-F145 PolarHBondContact O-N 2.99Å; I142-F145 HydrophobicContact CD1-CD2 4.03Å; I142-F145 HydrophobicContact CD1-CE2 4.48Å; I142-F145 PolarHBondContact O-N 3.23Å; I143-F145 VanDerWaalsContact C-N 3.28Å; I143-F145 PolarHBondContact O-N 3.04Å; F145-F149 VanDerWaalsContact O-CB 3.29Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.96Å
146V98.4Very high96Very high0 Ų041.2 Ų41.20%023%0.234CC..Hα-helixtrans-62.8-50.7174.4175.40000110.3V34 F98 L119 F120 A123 I142 I143 K148 F149 V150V34-V146 HydrophobicContact CG1-CB 4Å; V34-V146 HydrophobicContact CG1-CG1 3.83Å; V34-V146 HydrophobicContact CG1-CG2 4.41Å; V34-V146 HydrophobicContact CG2-CG1 3.79Å; F98-V146 HydrophobicContact CE2-CG2 4.16Å; F98-V146 HydrophobicContact CZ-CB 4.41Å; F98-V146 HydrophobicContact CZ-CG2 3.62Å; L119-V146 HydrophobicContact CD2-CG1 4.36Å; L119-V146 HydrophobicContact CG-CG1 4.49Å; F120-V146 HydrophobicContact CD1-CG1 3.74Å; F120-V146 HydrophobicContact CE1-CG1 3.65Å; A123-V146 HydrophobicContact CB-CG2 3.48Å; A123-V146 VanDerWaalsContact CB-CG2 3.48Å; I142-V146 WeakPolarHBondContact O-CG2 3.22Å; I142-V146 PolarHBondContact O-N 2.94Å; I143-V146 PolarHBondContact O-N 2.87Å; V146-K148 PolarHBondContact O-N 3.37Å; V146-F149 WeakPolarHBondContact O-CB 3.37Å; V146-F149 PolarHBondContact O-N 2.93Å; V146-F149 VanDerWaalsContact O-N 3.12Å; V146-V150 HydrophobicContact CG1-CG2 4.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.49Å; V146-V150 PolarHBondContact O-N 2.93Å
147V98.1Very high96.4Very high10 Ų1044.7 Ų44.76%0.06124%0.239CC..Hα-helixtrans-57.8-51.2-180175.20000109.8T27 T30 E31 V34 I143 F149 V150 F151T27-V147 HydrophobicContact CG2-CG1 4.11Å; T30-V147 HydrophobicContact CG2-CG1 4.47Å; T30-V147 HydrophobicContact CG2-CG2 4.48Å; E31-V147 HydrophobicContact CB-CG2 3.89Å; E31-V147 HydrophobicContact CG-CG2 4.25Å; V34-V147 HydrophobicContact CG2-CG2 4.41Å; I143-V147 HydrophobicContact CG2-CG2 4.43Å; I143-V147 WeakPolarHBondContact O-CG2 3.23Å; I143-V147 PolarHBondContact O-N 3.29Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 3.02Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 2.83Å; V147-V150 VanDerWaalsContact O-N 3.08Å; V147-F151 HydrophobicContact CG1-CD2 4.01Å; V147-F151 HydrophobicContact CG1-CE2 4Å; V147-F151 WeakPolarHBondContact O-CD2 3.28Å; V147-F151 PolarHBondContact O-N 2.97Å; V147-F151 VanDerWaalsContact O-N 3.13Å
148K97.3Very high96.7Very high100 Ų10043.9 Ų43.944%0.43522%0.216SC..Hα-helixtrans-55.9-42.2176.3-175.8174180-1800112.3Y95 R144 V146 I152Y95-K148 HydrophobicContact CE1-CD 4.41Å; Y95-K148 HydrophobicContact CE2-CD 4.02Å; R144-K148 WeakPolarHBondContact O-CB 3.48Å; R144-K148 PolarHBondContact O-N 2.8Å; V146-K148 PolarHBondContact O-N 3.37Å; K148-I152 HydrophobicContact CD-CD1 4.12Å; K148-I152 VanDerWaalsContact CE-CD1 3.49Å; K148-I152 HydrophobicContact CG-CD1 3.46Å; K148-I152 VanDerWaalsContact CG-CD1 3.46Å; K148-I152 HydrophobicContact CG-CG1 4.22Å; K148-I152 WeakPolarHBondContact O-CB 3.3Å; K148-I152 VanDerWaalsContact O-CG1 3.26Å; K148-I152 WeakPolarHBondContact O-CG1 3.48Å; K148-I152 PolarHBondContact O-N 3.14Å
149F97.7Very high96.9Very high3 Ų342.1 Ų42.11%0.01321%0.207CC..Hα-helixtrans-64.3-43.2177.3-174.6-93.2000112F98 L99 A102 K103 F106 L119 F145 V146 V147 F151 H153 I155F98-F149 HydrophobicContact CE1-CB 4.2Å; L99-F149 HydrophobicContact CD1-CD2 3.6Å; L99-F149 HydrophobicContact CD1-CE2 3.71Å; A102-F149 HydrophobicContact CB-CD1 4.25Å; A102-F149 HydrophobicContact CB-CD2 3.8Å; A102-F149 HydrophobicContact CB-CE1 3.99Å; A102-F149 HydrophobicContact CB-CE2 3.55Å; A102-F149 HydrophobicContact CB-CG 4.15Å; A102-F149 HydrophobicContact CB-CZ 3.65Å; K103-F149 HydrophobicContact CG-CE2 3.99Å; K103-F149 HydrophobicContact CG-CZ 4.39Å; F106-F149 AromaticContact CD2-CE1 3.82Å; F106-F149 HydrophobicContact CD2-CE1 3.82Å; F106-F149 HydrophobicContact CD2-CZ 4.05Å; F106-F149 AromaticContact CE2-CE1 3.76Å; F106-F149 HydrophobicContact CE2-CE1 3.76Å; F106-F149 HydrophobicContact CE2-CZ 4.42Å; L119-F149 HydrophobicContact CD1-CD1 4.34Å; L119-F149 HydrophobicContact CD2-CD1 3.59Å; L119-F149 HydrophobicContact CD2-CE1 4.01Å; F145-F149 VanDerWaalsContact O-CB 3.29Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.96Å; V146-F149 WeakPolarHBondContact O-CB 3.37Å; V146-F149 PolarHBondContact O-N 2.93Å; V146-F149 VanDerWaalsContact O-N 3.12Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 3.02Å; F149-F151 VanDerWaalsContact C-N 3.32Å; F149-F151 PolarHBondContact O-N 2.95Å; F149-H153 AromaticContact CD2-CD2 3.22Å; F149-H153 WeakPolarHBondContact CD2-CD2 3.38Å; F149-H153 AromaticContact CD2-NE2 3.88Å; F149-H153 HydrophobicContact CE1-CB 4.35Å; F149-H153 HydrophobicContact CE2-CB 4.31Å; F149-H153 AromaticContact CE2-CD2 3.33Å; F149-H153 WeakPolarHBondContact CE2-CD2 3.44Å; F149-H153 AromaticContact CE2-CG 3.74Å; F149-H153 AromaticContact CE2-NE2 3.89Å; F149-H153 AromaticContact CG-CD2 3.86Å; F149-H153 HydrophobicContact CZ-CB 4.19Å; F149-H153 WeakPolarHBondContact O-CB 3.36Å; F149-H153 PolarHBondContact O-N 3.46Å; F149-I155 HydrophobicContact CD1-CD1 3.72Å; F149-I155 HydrophobicContact CE1-CD1 3.55Å
150V98.2Very high97.1Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-58.7-42.9179.8164.20000111.7T30 L119 F120 V146 V147 I155 Y156 W165T30-V150 HydrophobicContact CG2-CB 4.46Å; T30-V150 HydrophobicContact CG2-CG1 3.95Å; L119-V150 HydrophobicContact CD2-CG2 4.24Å; F120-V150 HydrophobicContact CE1-CG2 4.32Å; V146-V150 HydrophobicContact CG1-CG2 4.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.49Å; V146-V150 PolarHBondContact O-N 2.93Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 2.83Å; V147-V150 VanDerWaalsContact O-N 3.08Å; V150-I155 HydrophobicContact CB-CB 4.4Å; V150-I155 HydrophobicContact CG1-CB 4.16Å; V150-I155 HydrophobicContact CG1-CG2 4.17Å; V150-I155 HydrophobicContact CG2-CB 4.47Å; V150-I155 HydrophobicContact CG2-CD1 4.44Å; V150-I155 HydrophobicContact CG2-CG2 4.31Å; V150-I155 WeakPolarHBondContact O-CB 3.38Å; V150-I155 PolarHBondContact O-N 2.9Å; V150-I155 VanDerWaalsContact O-N 3.08Å; V150-Y156 PolarHBondContact O-N 3.23Å; V150-W165 HydrophobicContact CG1-CH2 4.25Å; V150-W165 HydrophobicContact CG1-CZ2 4Å
151F97.6Very high97.1Very high60 Ų6048 Ų4826%0.26323%0.232SC..Hα-helixtrans-75.6-50.2177.8-78-85.2000112.9K26 T27 T30 V147 F149 H153 G154 Y156K26-F151 HydrophobicContact CB-CE1 4.47Å; K26-F151 HydrophobicContact CB-CZ 4.38Å; T27-F151 HydrophobicContact CG2-CE2 4.38Å; T30-F151 HydrophobicContact CG2-CE2 3.93Å; V147-F151 HydrophobicContact CG1-CD2 4.01Å; V147-F151 HydrophobicContact CG1-CE2 4Å; V147-F151 WeakPolarHBondContact O-CD2 3.28Å; V147-F151 PolarHBondContact O-N 2.97Å; V147-F151 VanDerWaalsContact O-N 3.13Å; F149-F151 VanDerWaalsContact C-N 3.32Å; F149-F151 PolarHBondContact O-N 2.95Å; F151-H153 VanDerWaalsContact C-N 3.32Å; F151-H153 PolarHBondContact O-N 2.91Å; F151-G154 PolarHBondContact O-N 3.22Å; F151-Y156 HydrophobicContact CD1-CD1 4.27Å; F151-Y156 AromaticContact CD1-CG 3.95Å; F151-Y156 HydrophobicContact CD1-CG 3.95Å; F151-Y156 AromaticContact CE1-CD1 3.76Å; F151-Y156 HydrophobicContact CE1-CD1 3.76Å; F151-Y156 AromaticContact CE1-CD2 3.71Å; F151-Y156 HydrophobicContact CE1-CD2 3.71Å; F151-Y156 HydrophobicContact CE1-CE1 4.27Å; F151-Y156 HydrophobicContact CE1-CE2 4.21Å; F151-Y156 AromaticContact CE1-CG 3.48Å; F151-Y156 HydrophobicContact CE1-CG 3.48Å; F151-Y156 VanDerWaalsContact CE1-CG 3.48Å; F151-Y156 HydrophobicContact CE2-CD2 4.32Å; F151-Y156 HydrophobicContact CZ-CD1 4.46Å; F151-Y156 AromaticContact CZ-CD2 3.58Å; F151-Y156 HydrophobicContact CZ-CD2 3.58Å; F151-Y156 HydrophobicContact CZ-CE2 4.01Å; F151-Y156 AromaticContact CZ-CG 3.86Å; F151-Y156 HydrophobicContact CZ-CG 3.86Å
152I96.1Very high97.1Very high106 Ų10648.3 Ų48.354%0.54423%0.232SC..Hα-helixtrans-66.5-33.9-173.7-67.2-179.7000112K148K148-I152 HydrophobicContact CD-CD1 4.12Å; K148-I152 VanDerWaalsContact CE-CD1 3.49Å; K148-I152 HydrophobicContact CG-CD1 3.46Å; K148-I152 VanDerWaalsContact CG-CD1 3.46Å; K148-I152 HydrophobicContact CG-CG1 4.22Å; K148-I152 WeakPolarHBondContact O-CB 3.3Å; K148-I152 VanDerWaalsContact O-CG1 3.26Å; K148-I152 WeakPolarHBondContact O-CG1 3.48Å; K148-I152 PolarHBondContact O-N 3.14Å
153H95.6Very high97Very high68 Ų6850.3 Ų50.332%0.31525%0.252SS..THydrogen-bonded Turntrans-98.217.4-175.2-67.6-72.8000114.3L99 K103 F149 F151 I155L99-H153 VanDerWaalsContact CD1-NE2 3.29Å; L99-H153 WeakPolarHBondContact CD1-NE2 3.3Å; K103-H153 VanDerWaalsContact CE-CE1 3.42Å; K103-H153 WeakPolarHBondContact CE-CE1 3.43Å; F149-H153 AromaticContact CD2-CD2 3.22Å; F149-H153 WeakPolarHBondContact CD2-CD2 3.38Å; F149-H153 AromaticContact CD2-NE2 3.88Å; F149-H153 HydrophobicContact CE1-CB 4.35Å; F149-H153 HydrophobicContact CE2-CB 4.31Å; F149-H153 AromaticContact CE2-CD2 3.33Å; F149-H153 WeakPolarHBondContact CE2-CD2 3.44Å; F149-H153 AromaticContact CE2-CG 3.74Å; F149-H153 AromaticContact CE2-NE2 3.89Å; F149-H153 AromaticContact CG-CD2 3.86Å; F149-H153 HydrophobicContact CZ-CB 4.19Å; F149-H153 WeakPolarHBondContact O-CB 3.36Å; F149-H153 PolarHBondContact O-N 3.46Å; F151-H153 VanDerWaalsContact C-N 3.32Å; F151-H153 PolarHBondContact O-N 2.91Å; H153-I155 PolarHBondContact O-N 3.38Å
154G95.5Very high96.9Very high25 Ų2550.4 Ų50.426%0.25826%0.258SS..THydrogen-bonded Turntrans73.89.1171.300000115F151 K157 W158F151-G154 PolarHBondContact O-N 3.22Å; G154-K157 PolarHBondContact O-N 3.39Å; G154-W158 PolarHBondContact O-N 2.96Å; G154-W158 VanDerWaalsContact O-N 3.08Å
155I97.8Very high96.9Very high1 Ų144.3 Ų44.31%0.00524%0.235CC..Hα-helixtrans-65.8-42.9175.4-61175.2000109.8F106 I111 I116 L119 F149 V150 H153 K157 W158 V159F106-I155 HydrophobicContact CD2-CD1 4.4Å; F106-I155 HydrophobicContact CE1-CD1 4.14Å; F106-I155 HydrophobicContact CE2-CD1 3.76Å; F106-I155 HydrophobicContact CZ-CD1 3.61Å; F106-I155 HydrophobicContact CZ-CG1 4.45Å; I111-I155 HydrophobicContact CD1-CG1 4.2Å; I111-I155 HydrophobicContact CG2-CG1 4.49Å; I111-I155 HydrophobicContact CG2-CG2 4.44Å; I116-I155 HydrophobicContact CD1-CG2 3.73Å; I116-I155 HydrophobicContact CG1-CG2 3.73Å; L119-I155 HydrophobicContact CD2-CD1 4.09Å; F149-I155 HydrophobicContact CD1-CD1 3.72Å; F149-I155 HydrophobicContact CE1-CD1 3.55Å; V150-I155 HydrophobicContact CB-CB 4.4Å; V150-I155 HydrophobicContact CG1-CB 4.16Å; V150-I155 HydrophobicContact CG1-CG2 4.17Å; V150-I155 HydrophobicContact CG2-CB 4.47Å; V150-I155 HydrophobicContact CG2-CD1 4.44Å; V150-I155 HydrophobicContact CG2-CG2 4.31Å; V150-I155 WeakPolarHBondContact O-CB 3.38Å; V150-I155 PolarHBondContact O-N 2.9Å; V150-I155 VanDerWaalsContact O-N 3.08Å; H153-I155 PolarHBondContact O-N 3.38Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 2.9Å; I155-W158 WeakPolarHBondContact O-CB 3.21Å; I155-W158 PolarHBondContact O-N 2.97Å; I155-W158 VanDerWaalsContact O-N 3.15Å; I155-V159 HydrophobicContact CG2-CG2 4.35Å; I155-V159 WeakPolarHBondContact O-CG2 3.34Å; I155-V159 PolarHBondContact O-N 3.26Å
156Y98Very high96.7Very high21 Ų2143.9 Ų43.98%0.08224%0.235CC..Hα-helixtrans-59.2-45.9177-174.2-92.5000111.6K26 V150 F151 W158 V159 E160 W165K26-Y156 HydrophobicContact CB-CE1 4.27Å; K26-Y156 HydrophobicContact CB-CE2 4.12Å; K26-Y156 WeakPolarHBondContact CB-OH 3.28Å; K26-Y156 HydrophobicContact CD-CE1 3.77Å; K26-Y156 VanDerWaalsContact CD-OH 3.26Å; K26-Y156 WeakPolarHBondContact CD-OH 3.4Å; K26-Y156 HydrophobicContact CG-CE1 4.3Å; K26-Y156 WeakPolarHBondContact CG-OH 3.22Å; V150-Y156 PolarHBondContact O-N 3.23Å; F151-Y156 HydrophobicContact CD1-CD1 4.27Å; F151-Y156 AromaticContact CD1-CG 3.95Å; F151-Y156 HydrophobicContact CD1-CG 3.95Å; F151-Y156 AromaticContact CE1-CD1 3.76Å; F151-Y156 HydrophobicContact CE1-CD1 3.76Å; F151-Y156 AromaticContact CE1-CD2 3.71Å; F151-Y156 HydrophobicContact CE1-CD2 3.71Å; F151-Y156 HydrophobicContact CE1-CE1 4.27Å; F151-Y156 HydrophobicContact CE1-CE2 4.21Å; F151-Y156 AromaticContact CE1-CG 3.48Å; F151-Y156 HydrophobicContact CE1-CG 3.48Å; F151-Y156 VanDerWaalsContact CE1-CG 3.48Å; F151-Y156 HydrophobicContact CE2-CD2 4.32Å; F151-Y156 HydrophobicContact CZ-CD1 4.46Å; F151-Y156 AromaticContact CZ-CD2 3.58Å; F151-Y156 HydrophobicContact CZ-CD2 3.58Å; F151-Y156 HydrophobicContact CZ-CE2 4.01Å; F151-Y156 AromaticContact CZ-CG 3.86Å; F151-Y156 HydrophobicContact CZ-CG 3.86Å; Y156-W158 VanDerWaalsContact C-N 3.26Å; Y156-W158 PolarHBondContact O-N 3.18Å; Y156-V159 WeakPolarHBondContact O-CB 3.33Å; Y156-V159 PolarHBondContact O-N 3.08Å; Y156-V159 VanDerWaalsContact O-N 3.08Å; Y156-E160 HydrophobicContact CE1-CB 4.24Å; Y156-E160 WeakPolarHBondContact O-CB 3.39Å; Y156-E160 PolarHBondContact O-N 2.94Å; Y156-W165 AromaticContact CE2-NE1 3.99Å
157K97.4Very high96.6Very high153 Ų15343.9 Ų43.967%0.66524%0.235SC*.Hα-helixtrans-60.1-36.9176.6-67.5-175.2177-176.90112.5G154 I155 S161G154-K157 PolarHBondContact O-N 3.39Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 2.9Å; K157-S161 PolarHBondContact O-N 3.49Å
158W97.7Very high96.5Very high47 Ų4743.4 Ų43.418%0.17823%0.232CC..Hα-helixtrans-66.8-44.6173.5-178.593.7000111.3I111 N112 W113 I116 G154 I155 Y156 E160 S161 H162I111-W158 HydrophobicContact CB-CB 4.35Å; I111-W158 HydrophobicContact CB-CD2 4.1Å; I111-W158 HydrophobicContact CB-CG 3.84Å; I111-W158 HydrophobicContact CD1-CB 4.17Å; I111-W158 HydrophobicContact CG2-CB 3.95Å; I111-W158 HydrophobicContact CG2-CD2 3.53Å; I111-W158 HydrophobicContact CG2-CE3 3.81Å; I111-W158 HydrophobicContact CG2-CG 3.58Å; I111-W158 VanDerWaalsContact O-CE2 3.31Å; I111-W158 PolarHBondContact O-NE1 3.34Å; N112-W158 HydrophobicContact CB-CZ2 4.42Å; W113-W158 AromaticContact CD1-CH2 3.89Å; W113-W158 HydrophobicContact CD2-CH2 4Å; W113-W158 AromaticContact CD2-CZ3 3.87Å; W113-W158 HydrophobicContact CD2-CZ3 3.87Å; W113-W158 AromaticContact CE2-CH2 3.81Å; W113-W158 AromaticContact CE2-CZ3 3.75Å; W113-W158 HydrophobicContact CE3-CZ3 4.17Å; W113-W158 HydrophobicContact CG-CH2 4.04Å; W113-W158 HydrophobicContact CG-CZ3 4.35Å; W113-W158 HydrophobicContact CH2-CZ3 4.26Å; W113-W158 HydrophobicContact CZ2-CH2 4.36Å; W113-W158 AromaticContact CZ2-CZ3 3.94Å; W113-W158 HydrophobicContact CZ2-CZ3 3.94Å; W113-W158 HydrophobicContact CZ3-CZ3 4.36Å; W113-W158 AromaticContact NE1-CH2 3.72Å; I116-W158 HydrophobicContact CD1-CE3 3.64Å; I116-W158 HydrophobicContact CD1-CZ3 3.56Å; G154-W158 PolarHBondContact O-N 2.96Å; G154-W158 VanDerWaalsContact O-N 3.08Å; I155-W158 WeakPolarHBondContact O-CB 3.21Å; I155-W158 PolarHBondContact O-N 2.97Å; I155-W158 VanDerWaalsContact O-N 3.15Å; Y156-W158 VanDerWaalsContact C-N 3.26Å; Y156-W158 PolarHBondContact O-N 3.18Å; W158-E160 VanDerWaalsContact C-N 3.33Å; W158-E160 PolarHBondContact O-N 2.89Å; W158-S161 PolarHBondContact O-N 3.29Å; W158-S161 PolarHBondContact O-OG 3.18Å; W158-H162 AromaticContact CD1-CE1 3.69Å; W158-H162 AromaticContact CD2-CE1 3.82Å; W158-H162 AromaticContact CD2-ND1 3.79Å; W158-H162 AromaticContact CE2-CE1 3.22Å; W158-H162 AromaticContact CE2-ND1 3.62Å; W158-H162 AromaticContact CE2-NE2 3.56Å; W158-H162 AromaticContact CH2-CD2 3.98Å; W158-H162 AromaticContact CZ2-CD2 3.68Å; W158-H162 AromaticContact CZ2-CE1 3.53Å; W158-H162 AromaticContact CZ2-ND1 3.9Å; W158-H162 AromaticContact CZ2-NE2 3.36Å; W158-H162 WeakPolarHBondContact CZ2-NE2 3.33Å; W158-H162 AromaticContact NE1-CE1 3.17Å; W158-H162 PolarHBondContact NE1-CE1 3.08Å; W158-H162 AromaticContact NE1-ND1 3.9Å; W158-H162 AromaticContact NE1-NE2 3.7Å; W158-H162 PolarHBondContact O-N 2.87Å; W158-H162 PolarHBondContact O-ND1 2.99Å
159V97.3Very high96.3Very high0 Ų042.1 Ų42.10%023%0.23CC..Hα-helixtrans-60.2-44.9176.1166.80000110.9W113 I116 I155 Y156 S161 H162 G163 G164 W165W113-V159 HydrophobicContact CH2-CB 4.44Å; W113-V159 HydrophobicContact CH2-CG1 4.01Å; W113-V159 HydrophobicContact CH2-CG2 4.03Å; W113-V159 HydrophobicContact CZ3-CG2 4.05Å; I116-V159 HydrophobicContact CD1-CG2 3.86Å; I155-V159 HydrophobicContact CG2-CG2 4.35Å; I155-V159 WeakPolarHBondContact O-CG2 3.34Å; I155-V159 PolarHBondContact O-N 3.26Å; Y156-V159 WeakPolarHBondContact O-CB 3.33Å; Y156-V159 PolarHBondContact O-N 3.08Å; Y156-V159 VanDerWaalsContact O-N 3.08Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 2.95Å; V159-H162 PolarHBondContact O-N 3.31Å; V159-H162 VanDerWaalsContact O-N 3.14Å; V159-G163 PolarHBondContact O-N 3.31Å; V159-G164 VanDerWaalsContact CG1-C 3.46Å; V159-G164 WeakPolarHBondContact O-CA 3.19Å; V159-G164 PolarHBondContact O-N 3.31Å; V159-W165 HydrophobicContact CG1-CD2 3.73Å; V159-W165 HydrophobicContact CG1-CE3 4.07Å; V159-W165 HydrophobicContact CG1-CG 3.94Å; V159-W165 HydrophobicContact CG1-CZ2 4.43Å; V159-W165 HydrophobicContact CG2-CE3 4.2Å; V159-W165 HydrophobicContact CG2-CH2 3.94Å; V159-W165 HydrophobicContact CG2-CZ2 4.28Å; V159-W165 HydrophobicContact CG2-CZ3 3.91Å
160E96.2Very high95.9Very high87 Ų8749.6 Ų49.641%0.40726%0.258SS..Hα-helixtrans-59.9-43.5177.5-171.3178.2-122.500111.4K26 Y156 W158 H162 G163K26-E160 WeakPolarHBondContact CE-OE1 3.34Å; K26-E160 IonicContact NZ-OE1 3.51Å; K26-E160 PolarHBondContact NZ-OE1 2.93Å; Y156-E160 HydrophobicContact CE1-CB 4.24Å; Y156-E160 WeakPolarHBondContact O-CB 3.39Å; Y156-E160 PolarHBondContact O-N 2.94Å; W158-E160 VanDerWaalsContact C-N 3.33Å; W158-E160 PolarHBondContact O-N 2.89Å; E160-H162 PolarHBondContact O-N 3.2Å; E160-G163 PolarHBondContact O-N 3.37Å
161S96.2Very high95.5Very high90 Ų9052.8 Ų52.863%0.62927%0.273SS*.Hα-helixtrans-68.1-15.5178.274.20000114.6K157 W158 V159K157-S161 PolarHBondContact O-N 3.49Å; W158-S161 PolarHBondContact O-N 3.29Å; W158-S161 PolarHBondContact O-OG 3.18Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 2.95Å
162H94.4Very high95Very high58 Ų5850.7 Ų50.727%0.26926%0.263SS..THydrogen-bonded Turntrans-96.85.9174.4-68.265.1000112.3W113 W158 V159 E160 A167 R170 E171W113-H162 HydrophobicContact CZ2-CB 4.38Å; W158-H162 AromaticContact CD1-CE1 3.69Å; W158-H162 AromaticContact CD2-CE1 3.82Å; W158-H162 AromaticContact CD2-ND1 3.79Å; W158-H162 AromaticContact CE2-CE1 3.22Å; W158-H162 AromaticContact CE2-ND1 3.62Å; W158-H162 AromaticContact CE2-NE2 3.56Å; W158-H162 AromaticContact CH2-CD2 3.98Å; W158-H162 AromaticContact CZ2-CD2 3.68Å; W158-H162 AromaticContact CZ2-CE1 3.53Å; W158-H162 AromaticContact CZ2-ND1 3.9Å; W158-H162 AromaticContact CZ2-NE2 3.36Å; W158-H162 WeakPolarHBondContact CZ2-NE2 3.33Å; W158-H162 AromaticContact NE1-CE1 3.17Å; W158-H162 PolarHBondContact NE1-CE1 3.08Å; W158-H162 AromaticContact NE1-ND1 3.9Å; W158-H162 AromaticContact NE1-NE2 3.7Å; W158-H162 PolarHBondContact O-N 2.87Å; W158-H162 PolarHBondContact O-ND1 2.99Å; V159-H162 PolarHBondContact O-N 3.31Å; V159-H162 VanDerWaalsContact O-N 3.14Å; E160-H162 PolarHBondContact O-N 3.2Å; H162-A167 WeakPolarHBondContact O-CB 3.38Å; H162-R170 PolarHBondContact O-NH2 2.77Å; H162-E171 WeakPolarHBondContact CB-OE2 3.39Å; H162-E171 IonicContact CD2-OE2 3.43Å; H162-E171 PolarHBondContact CD2-OE2 3.48Å; H162-E171 IonicContact CG-OE2 2.63Å
163G94.4Very high94.1Very high42 Ų4249 Ų4943%0.43326%0.259SS..THydrogen-bonded Turntrans8933.7178.800000113.6V159 E160V159-G163 PolarHBondContact O-N 3.31Å; E160-G163 PolarHBondContact O-N 3.37Å
164G95.6Very high92.8Very high20 Ų2048.5 Ų48.521%0.20626%0.261CS..SBendtrans81.2-179.9172.500000113.8V159 V166 A167V159-G164 VanDerWaalsContact CG1-C 3.46Å; V159-G164 WeakPolarHBondContact O-CA 3.19Å; V159-G164 PolarHBondContact O-N 3.31Å; G164-V166 PolarHBondContact O-N 2.88Å; G164-A167 WeakPolarHBondContact O-CB 3.46Å; G164-A167 PolarHBondContact O-N 3.5Å; G164-A167 VanDerWaalsContact O-N 3.1Å
165W97Very high90.9Very high1 Ų154.7 Ų54.70%0.00428%0.283CS..G310 helixtrans-58.2-36.8-176.6-70.1109.6000113T30 I33 L63 W113 I116 F120 V150 Y156 V159 A167 V168T30-W165 HydrophobicContact CG2-CZ2 3.71Å; T30-W165 PolarHBondContact OG1-NE1 3.11Å; T30-W165 VanDerWaalsContact OG1-NE1 3.15Å; I33-W165 HydrophobicContact CD1-CB 3.6Å; I33-W165 HydrophobicContact CD1-CD2 3.88Å; I33-W165 HydrophobicContact CD1-CG 3.32Å; L63-W165 HydrophobicContact CD1-CB 4.26Å; L63-W165 VanDerWaalsContact CD1-O 3.22Å; L63-W165 WeakPolarHBondContact CD1-O 3.34Å; L63-W165 HydrophobicContact CD2-CB 3.65Å; W113-W165 HydrophobicContact CH2-CE3 4.49Å; W113-W165 AromaticContact CZ3-CE3 3.96Å; W113-W165 HydrophobicContact CZ3-CE3 3.96Å; W113-W165 HydrophobicContact CZ3-CZ3 4.19Å; I116-W165 HydrophobicContact CG2-CH2 4.21Å; I116-W165 HydrophobicContact CG2-CZ3 3.9Å; F120-W165 HydrophobicContact CE2-CZ3 4.2Å; F120-W165 AromaticContact CZ-CH2 3.79Å; F120-W165 HydrophobicContact CZ-CH2 3.79Å; F120-W165 AromaticContact CZ-CZ3 3.87Å; F120-W165 HydrophobicContact CZ-CZ3 3.87Å; V150-W165 HydrophobicContact CG1-CH2 4.25Å; V150-W165 HydrophobicContact CG1-CZ2 4Å; Y156-W165 AromaticContact CE2-NE1 3.99Å; V159-W165 HydrophobicContact CG1-CD2 3.73Å; V159-W165 HydrophobicContact CG1-CE3 4.07Å; V159-W165 HydrophobicContact CG1-CG 3.94Å; V159-W165 HydrophobicContact CG1-CZ2 4.43Å; V159-W165 HydrophobicContact CG2-CE3 4.2Å; V159-W165 HydrophobicContact CG2-CH2 3.94Å; V159-W165 HydrophobicContact CG2-CZ2 4.28Å; V159-W165 HydrophobicContact CG2-CZ3 3.91Å; W165-A167 PolarHBondContact O-N 2.83Å; W165-A167 VanDerWaalsContact O-N 3.14Å; W165-V168 VanDerWaalsContact O-CG1 3.3Å; W165-V168 WeakPolarHBondContact O-CG1 3.26Å; W165-V168 PolarHBondContact O-N 3.46Å
166V95.2Very high88.7Confident29 Ų2958 Ų5818%0.17631%0.306CS..G310 helixtrans-63.1-18.6-179.3-57.40000113.3E59 L63 G164 V168 L169E59-V166 VanDerWaalsContact CD-CG1 3.44Å; E59-V166 HydrophobicContact CG-CB 4.3Å; E59-V166 HydrophobicContact CG-CG1 3.6Å; L63-V166 HydrophobicContact CD2-CG1 4.4Å; G164-V166 PolarHBondContact O-N 2.88Å; V166-V168 PolarHBondContact O-N 3.19Å; V166-L169 VanDerWaalsContact O-CB 3.28Å; V166-L169 WeakPolarHBondContact O-CB 3.47Å; V166-L169 VanDerWaalsContact O-CG 3.3Å; V166-L169 WeakPolarHBondContact O-CG 3.49Å; V166-L169 PolarHBondContact O-N 3.34Å; V166-L169 VanDerWaalsContact O-N 3.15Å
167A95.1Very high86.4Confident0 Ų059.2 Ų59.20%031%0.314CS..G310 helixtrans-62.6-24.8176.600000113.4W113 H162 G164 W165 L169 R170 E171W113-A167 HydrophobicContact CZ2-CB 3.98Å; H162-A167 WeakPolarHBondContact O-CB 3.38Å; G164-A167 WeakPolarHBondContact O-CB 3.46Å; G164-A167 PolarHBondContact O-N 3.5Å; G164-A167 VanDerWaalsContact O-N 3.1Å; W165-A167 PolarHBondContact O-N 2.83Å; W165-A167 VanDerWaalsContact O-N 3.14Å; A167-L169 PolarHBondContact O-N 3.39Å; A167-L169 VanDerWaalsContact O-N 3.07Å; A167-R170 VanDerWaalsContact O-CG 3.22Å; A167-R170 WeakPolarHBondContact O-CG 3.42Å; A167-R170 PolarHBondContact O-N 3.16Å; A167-E171 HydrophobicContact CB-CG 4.36Å; A167-E171 WeakPolarHBondContact O-CB 3.41Å; A167-E171 WeakPolarHBondContact O-CG 3.47Å; A167-E171 PolarHBondContact O-N 2.95Å
168V95.4Very high84Confident0 Ų056 Ų560%031%0.31CS..Hα-helixtrans-57.8-25.4175.577.20000112.9L63 R66 L67 I70 W113 W165 V166 R170 Y172L63-V168 HydrophobicContact CD1-CG1 3.3Å; R66-V168 HydrophobicContact CG-CG1 4.37Å; L67-V168 HydrophobicContact CD2-CG1 4.2Å; L67-V168 HydrophobicContact CD2-CG2 4.09Å; L67-V168 HydrophobicContact CG-CG1 4.48Å; I70-V168 HydrophobicContact CD1-CG2 3.54Å; W113-V168 HydrophobicContact CB-CG2 4.27Å; W113-V168 HydrophobicContact CD2-CB 3.88Å; W113-V168 HydrophobicContact CD2-CG2 3.75Å; W113-V168 HydrophobicContact CE3-CB 3.86Å; W113-V168 HydrophobicContact CE3-CG2 3.8Å; W113-V168 HydrophobicContact CG-CG2 3.96Å; W113-V168 HydrophobicContact CH2-CB 4.21Å; W113-V168 HydrophobicContact CZ2-CB 4.25Å; W113-V168 HydrophobicContact CZ3-CB 4.03Å; W113-V168 HydrophobicContact CZ3-CG2 4.44Å; W165-V168 VanDerWaalsContact O-CG1 3.3Å; W165-V168 WeakPolarHBondContact O-CG1 3.26Å; W165-V168 PolarHBondContact O-N 3.46Å; V166-V168 PolarHBondContact O-N 3.19Å; V168-R170 VanDerWaalsContact C-N 3.25Å; V168-R170 PolarHBondContact O-N 3.25Å; V168-Y172 WeakPolarHBondContact O-CB 3.3Å; V168-Y172 PolarHBondContact O-N 3.47Å
169L93.6Very high81.6Confident73 Ų7358.3 Ų58.338%0.38233%0.334SS..Hα-helixtrans-61.4-33.5176.5-64178.9000112.8A62 R66 V166 A167A62-L169 HydrophobicContact CB-CD1 4.21Å; A62-L169 HydrophobicContact CB-CD2 4.22Å; A62-L169 WeakPolarHBondContact O-CD2 3.43Å; R66-L169 HydrophobicContact CB-CD2 3.61Å; R66-L169 HydrophobicContact CG-CD2 4.09Å; V166-L169 VanDerWaalsContact O-CB 3.28Å; V166-L169 WeakPolarHBondContact O-CB 3.47Å; V166-L169 VanDerWaalsContact O-CG 3.3Å; V166-L169 WeakPolarHBondContact O-CG 3.49Å; V166-L169 PolarHBondContact O-N 3.34Å; V166-L169 VanDerWaalsContact O-N 3.15Å; A167-L169 PolarHBondContact O-N 3.39Å; A167-L169 VanDerWaalsContact O-N 3.07Å
170R90.6Very high79.3Confident161 Ų16159.2 Ų59.261%0.60834%0.344SS*.Hα-helixtrans-109.8-31.9-175.161.3177.4-177.5-108.3-4.3113.3H162 A167 V168H162-R170 PolarHBondContact O-NH2 2.77Å; A167-R170 VanDerWaalsContact O-CG 3.22Å; A167-R170 WeakPolarHBondContact O-CG 3.42Å; A167-R170 PolarHBondContact O-N 3.16Å; V168-R170 VanDerWaalsContact C-N 3.25Å; V168-R170 PolarHBondContact O-N 3.25Å
171E88.5Confident77.1Confident67 Ų6760.3 Ų60.331%0.31335%0.352SS..Hα-helixtrans-91.6-23.1-171-64.5-168.616900114.1W113 H162 A167 T173W113-E171 PolarHBondContact NE1-OE2 3.37Å; W113-E171 VanDerWaalsContact NE1-OE2 3.08Å; H162-E171 WeakPolarHBondContact CB-OE2 3.39Å; H162-E171 IonicContact CD2-OE2 3.43Å; H162-E171 PolarHBondContact CD2-OE2 3.48Å; H162-E171 IonicContact CG-OE2 2.63Å; A167-E171 HydrophobicContact CB-CG 4.36Å; A167-E171 WeakPolarHBondContact O-CB 3.41Å; A167-E171 WeakPolarHBondContact O-CG 3.47Å; A167-E171 PolarHBondContact O-N 2.95Å; E171-T173 PolarHBondContact O-N 2.93Å
172Y86.9Confident74.7Confident15 Ų1563.7 Ų63.76%0.05936%0.355CS..  trans-65.8112.4-179-177.5-94.1000110.6I70 E73 W113 S114 V168 P174I70-Y172 HydrophobicContact CB-CE1 4.45Å; I70-Y172 HydrophobicContact CB-CE2 4.24Å; I70-Y172 HydrophobicContact CD1-CD1 3.85Å; I70-Y172 HydrophobicContact CD1-CD2 3.44Å; I70-Y172 VanDerWaalsContact CD1-CD2 3.44Å; I70-Y172 HydrophobicContact CD1-CE1 4.29Å; I70-Y172 HydrophobicContact CD1-CE2 3.92Å; I70-Y172 HydrophobicContact CD1-CG 3.38Å; I70-Y172 HydrophobicContact CG1-CD1 3.61Å; I70-Y172 HydrophobicContact CG1-CD2 3.8Å; I70-Y172 HydrophobicContact CG1-CE1 3.62Å; I70-Y172 HydrophobicContact CG1-CE2 3.81Å; I70-Y172 HydrophobicContact CG1-CG 3.69Å; I70-Y172 HydrophobicContact CG2-CD2 4.1Å; I70-Y172 HydrophobicContact CG2-CE1 4.33Å; I70-Y172 HydrophobicContact CG2-CE2 3.42Å; I70-Y172 VanDerWaalsContact CG2-CE2 3.42Å; E73-Y172 PolarHBondContact OE2-OH 3.26Å; W113-Y172 HydrophobicContact CB-CD2 3.98Å; S114-Y172 WeakPolarHBondContact OG-CE2 3.45Å; V168-Y172 WeakPolarHBondContact O-CB 3.3Å; V168-Y172 PolarHBondContact O-N 3.47Å; Y172-P174 HydrophobicContact CE1-CB 4.48Å; Y172-P174 HydrophobicContact CE1-CG 4Å
173T77.8Confident72.7Confident72 Ų7264.8 Ų64.844%0.44237%0.366SS..  trans-111.5119172.251.20000109.2E171 H175 S176E171-T173 PolarHBondContact O-N 2.93Å; T173-H175 PolarHBondContact O-N 3.37Å; T173-S176 PolarHBondContact O-N 3.47Å; T173-S176 PolarHBondContact O-OG 3.5Å; T173-S176 WeakPolarHBondContact OG1-CB 3.23Å; T173-S176 PolarHBondContact OG1-OG 2.92Å
174P68.4Low70.7Confident56 Ų5664.5 Ų64.536%0.36435%0.353SS..G310 helixtrans-50.6-33.5177.6-30.735.4000113.7E73 Y172E73-P174 WeakPolarHBondContact OE1-CB 3.41Å; Y172-P174 HydrophobicContact CE1-CB 4.48Å; Y172-P174 HydrophobicContact CE1-CG 4Å
175H56.3Low69Low156 Ų15665.5 Ų65.572%0.72236%0.363SS*.G310 helixtrans-93.9-1.8-168.2-64.789000115.4T173 N177 S178T173-H175 PolarHBondContact O-N 3.37Å; H175-N177 PolarHBondContact O-N 3.16Å; H175-N177 VanDerWaalsContact O-N 3.13Å; H175-S178 PolarHBondContact O-OG 3.36Å
176S50.6Low67.3Low71 Ų7170.6 Ų70.650%0.49739%0.39SS..G310 helixtrans-72.8-0.7179.557.30000114.5T173T173-S176 PolarHBondContact O-N 3.47Å; T173-S176 PolarHBondContact O-OG 3.5Å; T173-S176 WeakPolarHBondContact OG1-CB 3.23Å; T173-S176 PolarHBondContact OG1-OG 2.92Å
177N50.1Low65.8Low46 Ų4671.7 Ų71.725%0.24640%0.397CS..G310 helixtrans-117.88-179.5-70.2-23.8000115.4S114 H175 S179 G180S114-N177 WeakPolarHBondContact CB-ND2 3.09Å; S114-N177 PolarHBondContact OG-ND2 3.45Å; H175-N177 PolarHBondContact O-N 3.16Å; H175-N177 VanDerWaalsContact O-N 3.13Å; N177-S179 PolarHBondContact O-N 3.07Å; N177-S179 VanDerWaalsContact O-N 3.11Å; N177-G180 PolarHBondContact O-N 3.29Å
178S45.9Very low64.1Low84 Ų8472.9 Ų72.959%0.58740%0.403SS*.THydrogen-bonded Turntrans-62.9-16.5175.643.40000113.6H175H175-S178 PolarHBondContact O-OG 3.36Å
179S47.7Very low63Low97 Ų9778.2 Ų78.268%0.67843%0.431SS*.THydrogen-bonded Turntrans-86-8.4171.714.90000114.3N177N177-S179 PolarHBondContact O-N 3.07Å; N177-S179 VanDerWaalsContact O-N 3.11Å
180G48.7Very low62.1Low19 Ų1979 Ų7920%0.19643%0.434CS..THydrogen-bonded Turntrans-85.7-18.4-179.400000115.1N177 F182 V183 F184N177-G180 PolarHBondContact O-N 3.29Å; G180-F182 PolarHBondContact O-N 2.71Å; G180-F182 VanDerWaalsContact O-N 3.15Å; G180-V183 PolarHBondContact O-N 2.83Å; G180-V183 VanDerWaalsContact O-N 3.16Å; G180-F184 WeakPolarHBondContact O-CD2 3.44Å; G180-F184 PolarHBondContact O-N 3.17Å; G180-F184 VanDerWaalsContact O-N 3.11Å
181L50.1Low61.3Low110 Ų11074.4 Ų74.458%0.57642%0.424SS*.Hα-helixtrans-53.2-38.7-177.3-108.699.3000112.7
182F46.6Very low60.4Low160 Ų16074.5 Ų74.570%0.70243%0.431SS*.Hα-helixtrans-80.7-31.3-176.3-67.9-78.6000113.1G180 L186G180-F182 PolarHBondContact O-N 2.71Å; G180-F182 VanDerWaalsContact O-N 3.15Å; F182-L186 VanDerWaalsContact O-CD1 3.3Å; F182-L186 WeakPolarHBondContact O-CD1 3.49Å
183V53Low59.8Low81 Ų8178.7 Ų78.749%0.49145%0.454SS..Hα-helixtrans-81.8-45-176.7-175.70000110.6G180 L186 T187G180-V183 PolarHBondContact O-N 2.83Å; G180-V183 VanDerWaalsContact O-N 3.16Å; V183-L186 PolarHBondContact O-N 3.36Å; V183-T187 HydrophobicContact CG1-CG2 3.96Å; V183-T187 WeakPolarHBondContact O-CB 3.48Å; V183-T187 VanDerWaalsContact O-CG2 3.26Å; V183-T187 WeakPolarHBondContact O-CG2 3.35Å; V183-T187 PolarHBondContact O-N 3.06Å; V183-T187 PolarHBondContact O-OG1 3.5Å
184F51.5Low59.5Low36 Ų3680.4 Ų80.416%0.15846%0.46CS..Hα-helixtrans-72.4-38.3-174.8-81.6-76.2000114.9G180 L186 T187 L188G180-F184 WeakPolarHBondContact O-CD2 3.44Å; G180-F184 PolarHBondContact O-N 3.17Å; G180-F184 VanDerWaalsContact O-N 3.11Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 3.25Å; F184-T187 WeakPolarHBondContact CA-OG1 3.46Å; F184-T187 PolarHBondContact O-OG1 2.82Å; F184-L188 HydrophobicContact CD1-CD1 4.38Å; F184-L188 VanDerWaalsContact O-CB 3.3Å; F184-L188 WeakPolarHBondContact O-CB 3.23Å; F184-L188 PolarHBondContact O-N 2.85Å
185G61Low59.6Low41 Ų4182 Ų8242%0.42347%0.465SS..Hα-helixtrans-61.1-42.9174.700000111.2L189G185-L189 WeakPolarHBondContact O-CB 3.26Å; G185-L189 WeakPolarHBondContact O-CD1 3.09Å; G185-L189 WeakPolarHBondContact O-CG 3.48Å; G185-L189 PolarHBondContact O-N 2.85Å
186L59.3Low60.7Low108 Ų10879.1 Ų79.157%0.56546%0.459SS*.Hα-helixtrans-73.7-45.4178.6-89150.4000112.9F182 V183 F184 L188 I190F182-L186 VanDerWaalsContact O-CD1 3.3Å; F182-L186 WeakPolarHBondContact O-CD1 3.49Å; V183-L186 PolarHBondContact O-N 3.36Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 3.25Å; L186-L188 PolarHBondContact O-N 2.9Å; L186-I190 WeakPolarHBondContact O-CB 3.44Å; L186-I190 VanDerWaalsContact O-CD1 3.31Å; L186-I190 WeakPolarHBondContact O-CD1 3.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.46Å; L186-I190 PolarHBondContact O-N 2.93Å
187T65.5Low61.5Low52 Ų5286 Ų8632%0.31947%0.474SS..Hα-helixtrans-66.4-38.3-17953.90000112.2V183 F184 I190 V191V183-T187 HydrophobicContact CG1-CG2 3.96Å; V183-T187 WeakPolarHBondContact O-CB 3.48Å; V183-T187 VanDerWaalsContact O-CG2 3.26Å; V183-T187 WeakPolarHBondContact O-CG2 3.35Å; V183-T187 PolarHBondContact O-N 3.06Å; V183-T187 PolarHBondContact O-OG1 3.5Å; F184-T187 WeakPolarHBondContact CA-OG1 3.46Å; F184-T187 PolarHBondContact O-OG1 2.82Å; T187-I190 PolarHBondContact O-N 2.88Å; T187-V191 WeakPolarHBondContact O-CG2 3.36Å; T187-V191 PolarHBondContact O-N 3.4Å
188L59.5Low61.6Low25 Ų2592.9 Ų92.913%0.13150%0.502CS..Hα-helixtrans-80.1-33178.5-69.4167.4000112.9R81 F184 L186 I190 V191 C192R81-L188 VanDerWaalsContact CZ-CD1 3.48Å; F184-L188 HydrophobicContact CD1-CD1 4.38Å; F184-L188 VanDerWaalsContact O-CB 3.3Å; F184-L188 WeakPolarHBondContact O-CB 3.23Å; F184-L188 PolarHBondContact O-N 2.85Å; L186-L188 PolarHBondContact O-N 2.9Å; L188-I190 VanDerWaalsContact C-N 3.25Å; L188-I190 PolarHBondContact O-N 3.15Å; L188-V191 PolarHBondContact O-N 3.43Å; L188-C192 VanDerWaalsContact O-CB 3.3Å; L188-C192 WeakPolarHBondContact O-CB 3.16Å; L188-C192 PolarHBondContact O-N 3.45Å; L188-C192 PolarHBondContact O-SG 3.33Å; L188-C192 VanDerWaalsContact O-SG 3.37Å
189L70.9Confident62.3Low113 Ų11398.6 Ų98.659%0.59252%0.523SS*.Hα-helixtrans-58.5-41.8165.9-82.5171.5000110.6G185 C192 L193G185-L189 WeakPolarHBondContact O-CB 3.26Å; G185-L189 WeakPolarHBondContact O-CD1 3.09Å; G185-L189 WeakPolarHBondContact O-CG 3.48Å; G185-L189 PolarHBondContact O-N 2.85Å; L189-C192 PolarHBondContact O-N 3.03Å; L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.2Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.14Å
190I75.6Confident63Low88 Ų8898.7 Ų98.745%0.45152%0.516SS..Hα-helixtrans-63-47.4175.2-68.7162.8000110.5L186 T187 L188 C192 L193 L194L186-I190 WeakPolarHBondContact O-CB 3.44Å; L186-I190 VanDerWaalsContact O-CD1 3.31Å; L186-I190 WeakPolarHBondContact O-CD1 3.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.46Å; L186-I190 PolarHBondContact O-N 2.93Å; T187-I190 PolarHBondContact O-N 2.88Å; L188-I190 VanDerWaalsContact C-N 3.25Å; L188-I190 PolarHBondContact O-N 3.15Å; I190-C192 PolarHBondContact O-N 3.18Å; I190-L193 PolarHBondContact O-N 3.19Å; I190-L194 HydrophobicContact CG2-CD1 3.8Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.14Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.06Å
191V72.4Confident63.8Low65 Ų65102.8 Ų102.839%0.39453%0.532SS..Hα-helixtrans-62.9-43.6177.3172.30000111.7T187 L188 L194 L195T187-V191 WeakPolarHBondContact O-CG2 3.36Å; T187-V191 PolarHBondContact O-N 3.4Å; L188-V191 PolarHBondContact O-N 3.43Å; V191-L194 PolarHBondContact O-N 3.29Å; V191-L195 HydrophobicContact CG1-CD1 3.81Å; V191-L195 HydrophobicContact CG1-CG 4.21Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 VanDerWaalsContact O-CG 3.23Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.17Å
192C71.2Confident64.6Low69 Ų69102.4 Ų102.447%0.46653%0.53SS..Hα-helixtrans-59.3-47.3174-76.10000111.3L188 L189 I190 L194 L195 T196L188-C192 VanDerWaalsContact O-CB 3.3Å; L188-C192 WeakPolarHBondContact O-CB 3.16Å; L188-C192 PolarHBondContact O-N 3.45Å; L188-C192 PolarHBondContact O-SG 3.33Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; L189-C192 PolarHBondContact O-N 3.03Å; I190-C192 PolarHBondContact O-N 3.18Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.34Å; C192-L195 PolarHBondContact O-N 2.96Å; C192-T196 WeakPolarHBondContact O-CG2 3.37Å; C192-T196 PolarHBondContact O-N 2.65Å; C192-T196 PolarHBondContact O-OG1 2.8Å
193L73.7Confident65.6Low104 Ų10499.1 Ų99.155%0.54552%0.52SS..Hα-helixtrans-61.8-37.2176.2-73.5169.6000112.4L189 I190 T196 R197L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.2Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.14Å; I190-L193 PolarHBondContact O-N 3.19Å; L193-T196 WeakPolarHBondContact CA-OG1 3.29Å; L193-T196 PolarHBondContact O-OG1 3.06Å; L193-T196 VanDerWaalsContact O-OG1 3.14Å; L193-R197 WeakPolarHBondContact O-CB 3.42Å; L193-R197 VanDerWaalsContact O-CG 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.43Å; L193-R197 PolarHBondContact O-N 3.12Å; L193-R197 VanDerWaalsContact O-N 3.12Å
194L71.6Confident66.4Low108 Ų108100.2 Ų100.257%0.56552%0.522SS*.Hα-helixtrans-71.4-36.6176.8-69.8174.3000111.8I190 V191 C192 K198I190-L194 HydrophobicContact CG2-CD1 3.8Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.14Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.06Å; V191-L194 PolarHBondContact O-N 3.29Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.34Å; L194-K198 PolarHBondContact O-N 3.23Å
195L71.1Confident67.4Low88 Ų88104.5 Ų104.546%0.46155%0.546SS..Hα-helixtrans-72.8-36.2176.4-69.3174.8000112.1V191 C192V191-L195 HydrophobicContact CG1-CD1 3.81Å; V191-L195 HydrophobicContact CG1-CG 4.21Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 VanDerWaalsContact O-CG 3.23Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.17Å; C192-L195 PolarHBondContact O-N 2.96Å
196T77.9Confident67.8Low97 Ų97109 Ų10960%0.59556%0.555SS**Hα-helixtrans-74.4-22.5174.957.50000113.6C192 L193C192-T196 WeakPolarHBondContact O-CG2 3.37Å; C192-T196 PolarHBondContact O-N 2.65Å; C192-T196 PolarHBondContact O-OG1 2.8Å; L193-T196 WeakPolarHBondContact CA-OG1 3.29Å; L193-T196 PolarHBondContact O-OG1 3.06Å; L193-T196 VanDerWaalsContact O-OG1 3.14Å
197R68.1Low68.5Low216 Ų216109.1 Ų109.182%0.81555%0.554SS**THydrogen-bonded Turntrans-84.2-14.3176.1-77.4-178.7109.2142.45.6114.1L193L193-R197 WeakPolarHBondContact O-CB 3.42Å; L193-R197 VanDerWaalsContact O-CG 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.43Å; L193-R197 PolarHBondContact O-N 3.12Å; L193-R197 VanDerWaalsContact O-N 3.12Å
198K51.9Low68.8Low189 Ų189113.8 Ų113.882%0.82257%0.574SS**  trans-101.69.7-176.3-146.3-179.9180-177.10113.3L194L194-K198 PolarHBondContact O-N 3.23Å
199I61.2Low69.6Low204 Ų204121.9 Ų121.9100%1.04661%0.614SS**  trans-112.90168.6-67.3169000106.5

Retrieved 199 of 199 residues in 112.8 ms (Link to these results)

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