A0A087WXJ5_HUMAN Loading...

Growth hormone 2

AlphaFold DB , UniProt , Accession A0A087WXJ5, Species HUMAN (Homo sapiens, Human), Gene GH2, Length 177 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
1M39.3Very low62.3Low250 Ų250121.8 Ų121.8100%1.23272%0.717SS**  01300-66177.1-162.800107.5
2A46.1Very low63.7Low98 Ų98115.4 Ų115.481%0.8169%0.688SS**  trans-72.7125-146.100000115.2G4A2-G4 PolarHBondContact O-N 2.95Å; A2-G4 VanDerWaalsContact O-N 3.09Å
3A53Low64.6Low115 Ų115117.7 Ų117.795%0.9568%0.684SS**  trans-78.672.916100000109
4G60.2Low65.7Low51 Ų51111.6 Ų111.653%0.52666%0.659SS.*  trans-152.781.6-178.800000109.8A2A2-G4 PolarHBondContact O-N 2.95Å; A2-G4 VanDerWaalsContact O-N 3.09Å
5S65.3Low66.5Low76 Ų76111.9 Ų111.953%0.53166%0.656SS.*SBendtrans-153.2-45.2177.5-179.30000112.2L9S5-L9 WeakPolarHBondContact O-CD1 3.25Å; S5-L9 WeakPolarHBondContact O-CG 3.3Å; S5-L9 PolarHBondContact O-N 3.17Å
6R61.1Low67Low215 Ų215112.1 Ų112.181%0.81165%0.652SS**Hα-helixtrans-73.9-39.7-178.3-70.9-178.2135.8-176.9-5.1114.2L10R6-L10 VanDerWaalsContact O-CG 3.31Å; R6-L10 WeakPolarHBondContact O-CG 2.9Å; R6-L10 PolarHBondContact O-N 2.74Å; R6-L10 VanDerWaalsContact O-N 3.17Å
7T65.4Low67.2Low95 Ų95109.1 Ų109.158%0.58364%0.638SS**Hα-helixtrans-70-37.1178.245.50000112.2L10 L11T7-L10 PolarHBondContact O-N 3.12Å; T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.16Å; T7-L11 PolarHBondContact O-N 3.36Å
8S71.1Confident67.3Low79 Ų79109.1 Ų109.155%0.55263%0.634SS**Hα-helixtrans-67-41.3176.7-170.10000112.3L11 A12S8-L11 PolarHBondContact O-N 3.33Å; S8-A12 WeakPolarHBondContact O-CB 3.44Å; S8-A12 PolarHBondContact O-N 2.98Å
9L71.6Confident67Low116 Ų116106.2 Ų106.261%0.60762%0.621SS**Hα-helixtrans-65.3-41.3175.8-81.8162.2000112.6S5 A12 F13S5-L9 WeakPolarHBondContact O-CD1 3.25Å; S5-L9 WeakPolarHBondContact O-CG 3.3Å; S5-L9 PolarHBondContact O-N 3.17Å; L9-A12 PolarHBondContact O-N 3.34Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.14Å
10L75.2Confident66.5Low129 Ų129111.5 Ų111.568%0.67563%0.63SS**Hα-helixtrans-67.1-37177.1-70.9170.8000112.2R6 T7 G14R6-L10 VanDerWaalsContact O-CG 3.31Å; R6-L10 WeakPolarHBondContact O-CG 2.9Å; R6-L10 PolarHBondContact O-N 2.74Å; R6-L10 VanDerWaalsContact O-N 3.17Å; T7-L10 PolarHBondContact O-N 3.12Å; L10-G14 PolarHBondContact O-N 3.47Å
11L77.3Confident66Low116 Ų116112.7 Ų112.761%0.60763%0.634SS**Hα-helixtrans-69.1-41.6174.3-71.9171000111.6T7 S8 G14 L15T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.16Å; T7-L11 PolarHBondContact O-N 3.36Å; S8-L11 PolarHBondContact O-N 3.33Å; L11-G14 PolarHBondContact O-N 3Å; L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.22Å
12A78.2Confident66.8Low45 Ų45107.5 Ų107.537%0.37261%0.607SS.*Hα-helixtrans-63.6-42.4175.500000111.8S8 L9 L15 L16S8-A12 WeakPolarHBondContact O-CB 3.44Å; S8-A12 PolarHBondContact O-N 2.98Å; L9-A12 PolarHBondContact O-N 3.34Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CD1 3.45Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å
13F76.4Confident67.1Low145 Ų145109.5 Ų109.564%0.63660%0.599SS**Hα-helixtrans-67.6-40.8176-144.1-89.4000111.5L9 L16 C17L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.14Å; F13-L16 PolarHBondContact O-N 3.22Å; F13-C17 VanDerWaalsContact O-CB 3.32Å; F13-C17 WeakPolarHBondContact O-CB 3.43Å; F13-C17 PolarHBondContact O-N 3.48Å; F13-C17 PolarHBondContact O-SG 3.45Å
14G79Confident66.9Low32 Ų32106.3 Ų106.333%0.3358%0.578SS.*Hα-helixtrans-60.5-45.217400000112.4L10 L11 C17 L18L10-G14 PolarHBondContact O-N 3.47Å; L11-G14 PolarHBondContact O-N 3Å; G14-C17 PolarHBondContact O-N 2.99Å; G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 WeakPolarHBondContact O-CD1 3.16Å; G14-L18 PolarHBondContact O-N 2.89Å
15L78.9Confident66.3Low117 Ų117108.2 Ų108.261%0.61358%0.583SS**Hα-helixtrans-66.5-42.3177.3-72.1168.3000112.1L11 A12 L18 S19L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.22Å; A12-L15 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.98Å
16L73.9Confident65.7Low115 Ų115108.5 Ų108.560%0.60259%0.59SS**Hα-helixtrans-62-43.1174.5-79.4163.4000111.7A12 F13 S19 W20A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CD1 3.45Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å; F13-L16 PolarHBondContact O-N 3.22Å; L16-S19 VanDerWaalsContact CA-OG 3.32Å; L16-S19 WeakPolarHBondContact CA-OG 3.38Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 PolarHBondContact O-OG 2.95Å; L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.36Å
17C69.7Low65.1Low61 Ų61106.1 Ų106.141%0.41259%0.586SS.*Hα-helixtrans-65.4-36.8174.3-73.70000112.5F13 G14 W20 L21F13-C17 VanDerWaalsContact O-CB 3.32Å; F13-C17 WeakPolarHBondContact O-CB 3.43Å; F13-C17 PolarHBondContact O-N 3.48Å; F13-C17 PolarHBondContact O-SG 3.45Å; G14-C17 PolarHBondContact O-N 2.99Å; C17-W20 PolarHBondContact O-N 3.29Å; C17-L21 WeakPolarHBondContact O-CB 3.32Å; C17-L21 PolarHBondContact O-N 3.32Å
18L70.1Confident65Low108 Ų108107 Ų10757%0.56559%0.593SS**Hα-helixtrans-66.6-42.6175.5-96.6141.3000112.1G14 L15 W20 L21 Q22G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 WeakPolarHBondContact O-CD1 3.16Å; G14-L18 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-W20 VanDerWaalsContact C-N 3.35Å; L18-L21 PolarHBondContact O-N 2.69Å; L18-Q22 WeakPolarHBondContact O-CB 3.25Å; L18-Q22 PolarHBondContact O-N 3.15Å
19S61.7Low64.9Low54 Ų54109.5 Ų109.538%0.37861%0.605SS.*Hα-helixtrans-60.6-44.4171.935.40000111.6L15 L16 L21 Q22 E23L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.98Å; L16-S19 VanDerWaalsContact CA-OG 3.32Å; L16-S19 WeakPolarHBondContact CA-OG 3.38Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 PolarHBondContact O-OG 2.95Å; S19-L21 PolarHBondContact O-N 2.96Å; S19-Q22 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 VanDerWaalsContact O-OE2 3.09Å
20W57Low65.4Low213 Ų213109 Ų10981%0.80760%0.602SS**Hα-helixtrans-66.9-35.7178.7-134.858.8000113.1L16 C17 L18 Q22 G24L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.36Å; C17-W20 PolarHBondContact O-N 3.29Å; L18-W20 VanDerWaalsContact C-N 3.35Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; W20-G24 PolarHBondContact O-N 3.3Å; W20-G24 VanDerWaalsContact O-N 3.09Å
21L55.3Low66.1Low136 Ų136105.8 Ų105.871%0.71259%0.589SS**Hα-helixtrans-68.5-34.8174.2-130.591.2000111.7C17 L18 S19 G24 S25C17-L21 WeakPolarHBondContact O-CB 3.32Å; C17-L21 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 2.69Å; S19-L21 PolarHBondContact O-N 2.96Å; L21-G24 PolarHBondContact O-N 3.4Å; L21-S25 PolarHBondContact O-N 3.25Å
22Q56.5Low66.6Low142 Ų142105.9 Ų105.966%0.66459%0.589SS**Hα-helixtrans-73.9-37.6179.8-159.6144.1-32.300111.3L18 S19 W20 G24 S25L18-Q22 WeakPolarHBondContact O-CB 3.25Å; L18-Q22 PolarHBondContact O-N 3.15Å; S19-Q22 PolarHBondContact O-N 3.34Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-G24 VanDerWaalsContact C-N 3.32Å; Q22-G24 PolarHBondContact O-N 3.01Å; Q22-S25 PolarHBondContact O-N 3.2Å; Q22-S25 PolarHBondContact O-OG 3.48Å
23E52Low67.1Low140 Ų140107.1 Ų107.165%0.65460%0.595SS**Hα-helixtrans-64.4-32.1169.5-103104.1-142.800113S19 S25S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 VanDerWaalsContact O-OE2 3.09Å; E23-S25 VanDerWaalsContact C-N 3.33Å; E23-S25 PolarHBondContact O-N 3.38Å
24G49.9Very low67.7Low48 Ų48108 Ų10850%0.49559%0.594SS.*THydrogen-bonded Turntrans-78.6-10.2178.300000115.3W20 L21 Q22W20-G24 PolarHBondContact O-N 3.3Å; W20-G24 VanDerWaalsContact O-N 3.09Å; L21-G24 PolarHBondContact O-N 3.4Å; Q22-G24 VanDerWaalsContact C-N 3.32Å; Q22-G24 PolarHBondContact O-N 3.01Å
25S47.5Very low68.3Low91 Ų91110.8 Ų110.864%0.63660%0.601SS**THydrogen-bonded Turntrans-101.6-4.9-173.269.90000114.7L21 Q22 E23L21-S25 PolarHBondContact O-N 3.25Å; Q22-S25 PolarHBondContact O-N 3.2Å; Q22-S25 PolarHBondContact O-OG 3.48Å; E23-S25 VanDerWaalsContact C-N 3.33Å; E23-S25 PolarHBondContact O-N 3.38Å
26A51.5Low69.1Low81 Ų81111.2 Ų111.267%0.66960%0.598SS**  trans-106.133176.100000112.7P28A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.42Å
27F49.8Very low70Confident166 Ų166110.9 Ų110.973%0.72860%0.597SS**  trans-73.8115.9158.9-83.8-83.4000107.3T29F27-T29 PolarHBondContact O-N 3.09Å
28P61.4Low71.2Confident113 Ų113112 Ų11273%0.73460%0.599SS**  trans-61.4108.2174.424.7-30.7000107.2A26 I30A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-I30 PolarHBondContact O-N 3.35Å
29T70.8Confident72.3Confident132 Ų132109.4 Ų109.481%0.8159%0.593SS**  trans-59.2114.6170.445.40000106.2F27 P31F27-T29 PolarHBondContact O-N 3.09Å; T29-P31 WeakPolarHBondContact O-CD 3.41Å; T29-P31 VanDerWaalsContact O-N 3.1Å
30I80.4Confident74Confident106 Ų106112.4 Ų112.454%0.54460%0.603SS.*  trans-60.5120.6-178.8-59.9173.1000106.4P28 R34 L35P28-I30 PolarHBondContact O-N 3.35Å; I30-R34 HydrophobicContact CG2-CB 3.87Å; I30-L35 HydrophobicContact CB-CD2 4.33Å; I30-L35 HydrophobicContact CG2-CD2 3.8Å; I30-L35 HydrophobicContact CG2-CG 3.93Å
31P90.3Very high75.9Confident61 Ų61106.1 Ų106.140%0.39658%0.584SS.*  trans-63143.3-177.824.6-33.3000109.8T29 S33 R34 L35T29-P31 WeakPolarHBondContact O-CD 3.41Å; T29-P31 VanDerWaalsContact O-N 3.1Å; P31-S33 PolarHBondContact O-N 2.93Å; P31-S33 VanDerWaalsContact O-N 3.1Å; P31-R34 HydrophobicContact CG-CB 4.08Å; P31-R34 HydrophobicContact CG-CG 3.85Å; P31-R34 WeakPolarHBondContact O-CB 3.49Å; P31-R34 PolarHBondContact O-N 3.43Å; P31-L35 PolarHBondContact O-N 3.2Å
32L87.4Confident77.8Confident117 Ų117108 Ų10861%0.61358%0.582SS**Hα-helixtrans-53.5-34.7-177.9-178.161.2000112.6R34 L35 F36L32-R34 PolarHBondContact O-N 2.99Å; L32-L35 WeakPolarHBondContact O-CB 3.45Å; L32-L35 PolarHBondContact O-N 2.98Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-F36 HydrophobicContact CD1-CD2 3.96Å; L32-F36 HydrophobicContact CD1-CE2 3.63Å; L32-F36 HydrophobicContact CD2-CE2 3.96Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.59Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.45Å
33S89.4Confident79.7Confident72 Ų72103.8 Ų103.850%0.50357%0.571SS.*Hα-helixtrans-57.3-46.7173.752.60000112.7P31 L35 F36 D37P31-S33 PolarHBondContact O-N 2.93Å; P31-S33 VanDerWaalsContact O-N 3.1Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.45Å; S33-F36 PolarHBondContact O-N 3.45Å; S33-D37 VanDerWaalsContact O-CG 3.24Å; S33-D37 PolarHBondContact O-N 2.98Å
34R90.1Very high81.8Confident164 Ų164104.8 Ų104.862%0.61957%0.569SS**Hα-helixtrans-65-32.3176.3-78.2-171.3179.4-175.30.7112.4I30 P31 L32 N38I30-R34 HydrophobicContact CG2-CB 3.87Å; P31-R34 HydrophobicContact CG-CB 4.08Å; P31-R34 HydrophobicContact CG-CG 3.85Å; P31-R34 WeakPolarHBondContact O-CB 3.49Å; P31-R34 PolarHBondContact O-N 3.43Å; L32-R34 PolarHBondContact O-N 2.99Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.32Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.13Å; R34-N38 PolarHBondContact O-ND2 2.85Å
35L89.9Confident83.9Confident89 Ų89110 Ų11047%0.46657%0.574SS.*Hα-helixtrans-67.1-45.2174.3-64.8175.4000110.7I30 P31 L32 S33 N38 A39I30-L35 HydrophobicContact CB-CD2 4.33Å; I30-L35 HydrophobicContact CG2-CD2 3.8Å; I30-L35 HydrophobicContact CG2-CG 3.93Å; P31-L35 PolarHBondContact O-N 3.2Å; L32-L35 WeakPolarHBondContact O-CB 3.45Å; L32-L35 PolarHBondContact O-N 2.98Å; L32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.45Å; L35-N38 PolarHBondContact O-N 2.89Å; L35-A39 WeakPolarHBondContact O-CB 3.2Å; L35-A39 PolarHBondContact O-N 3.31Å
36F95.7Very high86.2Confident127 Ų127111.3 Ų111.356%0.55757%0.573SS**Hα-helixtrans-63.7-44.3175.5-83.7-65.1000113L32 S33 N38 A39 M40L32-F36 HydrophobicContact CD1-CD2 3.96Å; L32-F36 HydrophobicContact CD1-CE2 3.63Å; L32-F36 HydrophobicContact CD2-CE2 3.96Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.59Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.45Å; S33-F36 PolarHBondContact O-N 3.45Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 2.97Å; F36-A39 PolarHBondContact O-N 3.39Å; F36-M40 WeakPolarHBondContact O-CB 3.47Å; F36-M40 WeakPolarHBondContact O-CG 3.01Å; F36-M40 PolarHBondContact O-N 3.48Å
37D93.8Very high88.1Confident108 Ų108115 Ų11558%0.57857%0.571SS**Hα-helixtrans-58.7-44.6177.5-69.5-26.3000111S33 L41S33-D37 VanDerWaalsContact O-CG 3.24Å; S33-D37 PolarHBondContact O-N 2.98Å; D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.25Å
38N94.1Very high89.9Confident83 Ų83111.9 Ų111.944%0.44456%0.558SS.*Hα-helixtrans-64.5-42.6176.3-80-50.7000112.2R34 L35 F36 R42R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.32Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.13Å; R34-N38 PolarHBondContact O-ND2 2.85Å; L35-N38 PolarHBondContact O-N 2.89Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 2.97Å; N38-R42 WeakPolarHBondContact O-CB 3.19Å; N38-R42 VanDerWaalsContact O-CG 3.27Å; N38-R42 WeakPolarHBondContact O-CG 3.34Å; N38-R42 PolarHBondContact O-N 3.47Å
39A94.9Very high91.2Very high54 Ų54111.7 Ų111.745%0.44655%0.551SS.*Hα-helixtrans-63.6-47.4177.500000111.4L35 F36 R42 A43L35-A39 WeakPolarHBondContact O-CB 3.2Å; L35-A39 PolarHBondContact O-N 3.31Å; F36-A39 PolarHBondContact O-N 3.39Å; A39-R42 PolarHBondContact O-N 2.99Å; A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.4Å
40M96.4Very high91.9Very high118 Ų118108.3 Ų108.358%0.58154%0.536SS*.Hα-helixtrans-64.6-40.7178.4-75.1-59-6300112.3F36 R42 A43 R44F36-M40 WeakPolarHBondContact O-CB 3.47Å; F36-M40 WeakPolarHBondContact O-CG 3.01Å; F36-M40 PolarHBondContact O-N 3.48Å; M40-R42 VanDerWaalsContact C-N 3.33Å; M40-R42 PolarHBondContact O-N 3.32Å; M40-A43 PolarHBondContact O-N 3.36Å; M40-R44 WeakPolarHBondContact O-CB 3.04Å; M40-R44 PolarHBondContact O-N 2.92Å
41L96.4Very high92.2Very high81 Ų81108.5 Ų108.542%0.42453%0.531SS..Hα-helixtrans-60.3-44.7174.6178.964.7000111.1D37 R44 R45D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.25Å; L41-R44 PolarHBondContact O-N 3.03Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3.24Å
42R96.4Very high91.8Very high176 Ų176109.6 Ų109.666%0.66453%0.533SS*.Hα-helixtrans-65.5-46.1177.4-72.4175.5-175.1-152.62.2111.6N38 A39 M40 R44 R45 L46N38-R42 WeakPolarHBondContact O-CB 3.19Å; N38-R42 VanDerWaalsContact O-CG 3.27Å; N38-R42 WeakPolarHBondContact O-CG 3.34Å; N38-R42 PolarHBondContact O-N 3.47Å; A39-R42 PolarHBondContact O-N 2.99Å; M40-R42 VanDerWaalsContact C-N 3.33Å; M40-R42 PolarHBondContact O-N 3.32Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 2.79Å; R42-R45 PolarHBondContact O-N 3.46Å; R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.31Å
43A96.5Very high91.4Very high53 Ų53107.7 Ų107.744%0.43853%0.526SS..Hα-helixtrans-58.3-45.1176.800000111.4A39 M40 L46 Y47A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.4Å; M40-A43 PolarHBondContact O-N 3.36Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.06Å
44R94.9Very high91Very high160 Ų160108.6 Ų108.660%0.60452%0.52SS*.Hα-helixtrans-62.8-43.3176.7-174.1177.7-66.4-169.4-0.8112.4M40 L41 R42 Y47 Q48M40-R44 WeakPolarHBondContact O-CB 3.04Å; M40-R44 PolarHBondContact O-N 2.92Å; L41-R44 PolarHBondContact O-N 3.03Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 2.79Å; R44-Y47 PolarHBondContact O-N 3.49Å; R44-Q48 HydrophobicContact CG-CG 4.46Å; R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 WeakPolarHBondContact O-CG 3.25Å; R44-Q48 PolarHBondContact O-N 3.22Å
45R94.3Very high90.7Very high157 Ų157102.4 Ų102.459%0.59250%0.498SS*.Hα-helixtrans-62.2-43.4176.4-76.5179.1-174.5-176.91.7112L41 R42 Q48 L49L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3.24Å; R42-R45 PolarHBondContact O-N 3.46Å; R45-Q48 PolarHBondContact O-N 2.94Å; R45-L49 WeakPolarHBondContact O-CB 3.4Å; R45-L49 PolarHBondContact O-N 3.28Å
46L95.2Very high90.5Very high120 Ų120104.1 Ų104.163%0.62850%0.503SS*.Hα-helixtrans-63.8-43176.7-71172.5000111.2R42 A43 L49 A50R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.31Å; A43-L46 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 2.81Å; L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 3.02Å
47Y92.1Very high90.2Very high159 Ų159103 Ų10362%0.62450%0.498SS*.Hα-helixtrans-59.6-48.4174.3174.2-92.5000111.8A43 R44 A50 Y51A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.06Å; R44-Y47 PolarHBondContact O-N 3.49Å; Y47-A50 PolarHBondContact O-N 3.41Å; Y47-Y51 VanDerWaalsContact O-CB 3.28Å; Y47-Y51 WeakPolarHBondContact O-CB 3.48Å; Y47-Y51 PolarHBondContact O-N 3.19Å
48Q88.1Confident90.1Very high99 Ų9997.8 Ų97.846%0.46347%0.471SS..Hα-helixtrans-61.1-47.1178.3-76.1175.6-39.600111.6R44 R45 A50 Y51 D52R44-Q48 HydrophobicContact CG-CG 4.46Å; R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 WeakPolarHBondContact O-CG 3.25Å; R44-Q48 PolarHBondContact O-N 3.22Å; R45-Q48 PolarHBondContact O-N 2.94Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; Q48-A50 PolarHBondContact O-N 3.34Å; Q48-Y51 PolarHBondContact O-N 2.99Å; Q48-D52 WeakPolarHBondContact O-CB 3.1Å; Q48-D52 PolarHBondContact O-N 2.01Å
49L88.8Confident89.9Confident110 Ų11095.6 Ų95.658%0.57646%0.459SS*.Hα-helixtrans-58.6-47.1176.6-179.964.7000111.5R45 L46 Y51 D52 T53R45-L49 WeakPolarHBondContact O-CB 3.4Å; R45-L49 PolarHBondContact O-N 3.28Å; L46-L49 PolarHBondContact O-N 2.81Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.02Å; L49-D52 PolarHBondContact O-N 3.47Å; L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.98Å; L49-T53 PolarHBondContact O-OG1 3.22Å
50A85.8Confident89.8Confident60 Ų6095.8 Ų95.850%0.49645%0.45SS..Hα-helixtrans-62-42.2177.600000111.6L46 Y47 Q48 Y54L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 3.02Å; Y47-A50 PolarHBondContact O-N 3.41Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; Q48-A50 PolarHBondContact O-N 3.34Å; A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.46Å
51Y84.9Confident89.7Confident111 Ų11190.7 Ų90.744%0.43543%0.425SS..Hα-helixtrans-63.4-47.6177.5-178-92.3000111.7Y47 Q48 L49 Y54 Q55Y47-Y51 VanDerWaalsContact O-CB 3.28Å; Y47-Y51 WeakPolarHBondContact O-CB 3.48Å; Y47-Y51 PolarHBondContact O-N 3.19Å; Q48-Y51 PolarHBondContact O-N 2.99Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.02Å; Y51-Y54 WeakPolarHBondContact O-CB 3.42Å; Y51-Y54 PolarHBondContact O-N 3.35Å; Y51-Q55 HydrophobicContact CD1-CG 4.15Å; Y51-Q55 HydrophobicContact CE1-CG 3.72Å; Y51-Q55 HydrophobicContact CE2-CG 4.48Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.44Å; Y51-Q55 PolarHBondContact OH-NE2 2.88Å
52D81.9Confident89.7Confident83 Ų8386.8 Ų86.844%0.44441%0.405SS..Hα-helixtrans-63-48.4-179.6-67.3-18.9000111Q48 L49 Y54 Q55 E56Q48-D52 WeakPolarHBondContact O-CB 3.1Å; Q48-D52 PolarHBondContact O-N 2.01Å; L49-D52 PolarHBondContact O-N 3.47Å; D52-Y54 PolarHBondContact O-N 3Å; D52-Q55 PolarHBondContact O-N 3.26Å; D52-E56 PolarHBondContact O-N 2.91Å
53T80.2Confident89.6Confident77 Ų7781.6 Ų81.647%0.47239%0.385SS..Hα-helixtrans-60.4-37175.3-59.50000111.8L49 F57L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.98Å; L49-T53 PolarHBondContact O-OG1 3.22Å; T53-F57 PolarHBondContact O-N 3.23Å; T53-F57 VanDerWaalsContact O-N 3.17Å
54Y80.6Confident89.4Confident92 Ų9281.5 Ų81.536%0.36138%0.377SS..Hα-helixtrans-67.9-41177.8179.2-94.8000112.6A50 Y51 D52 F57 N58 R169A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.46Å; Y51-Y54 WeakPolarHBondContact O-CB 3.42Å; Y51-Y54 PolarHBondContact O-N 3.35Å; D52-Y54 PolarHBondContact O-N 3Å; Y54-F57 PolarHBondContact O-N 3.21Å; Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.27Å; Y54-R169 HydrophobicContact CE1-CB 4.07Å; Y54-R169 HydrophobicContact CE2-CG 4.22Å; Y54-R169 WeakPolarHBondContact OH-CA 3.35Å; Y54-R169 WeakPolarHBondContact OH-CB 3.27Å; Y54-R169 WeakPolarHBondContact OH-CD 3.36Å; Y54-R169 WeakPolarHBondContact OH-CG 3.22Å; Y54-R169 PolarHBondContact OH-O 3.46Å
55Q83.9Confident89.5Confident34 Ų3473.9 Ų73.916%0.15935%0.348CS..Hα-helixtrans-64.8-42.2175-69.7-58.7-26.900111.8Y51 D52 F57 N58 L59Y51-Q55 HydrophobicContact CD1-CG 4.15Å; Y51-Q55 HydrophobicContact CE1-CG 3.72Å; Y51-Q55 HydrophobicContact CE2-CG 4.48Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.44Å; Y51-Q55 PolarHBondContact OH-NE2 2.88Å; D52-Q55 PolarHBondContact O-N 3.26Å; Q55-F57 VanDerWaalsContact C-N 3.28Å; Q55-F57 PolarHBondContact O-N 3.1Å; Q55-N58 PolarHBondContact O-N 2.88Å; Q55-N58 VanDerWaalsContact O-N 3.1Å; Q55-L59 PolarHBondContact O-N 2.87Å; Q55-L59 VanDerWaalsContact O-N 3.09Å
56E86.3Confident89.6Confident125 Ų12567.4 Ų67.458%0.58433%0.325SS*.Hα-helixtrans-56.6-43175.9-174.9175.5-167.800111.6D52 N58 L59 E60D52-E56 PolarHBondContact O-N 2.91Å; E56-N58 VanDerWaalsContact C-N 3.35Å; E56-N58 PolarHBondContact O-N 2.93Å; E56-L59 PolarHBondContact O-N 2.99Å; E56-E60 PolarHBondContact O-N 3.29Å
57F88.8Confident89.6Confident102 Ų10263.9 Ų63.945%0.44731%0.307SS..Hα-helixtrans-64.1-38176.9-173.6-90.6000112.9T53 Y54 Q55 E60 L61T53-F57 PolarHBondContact O-N 3.23Å; T53-F57 VanDerWaalsContact O-N 3.17Å; Y54-F57 PolarHBondContact O-N 3.21Å; Q55-F57 VanDerWaalsContact C-N 3.28Å; Q55-F57 PolarHBondContact O-N 3.1Å; F57-E60 PolarHBondContact O-N 2.9Å; F57-L61 HydrophobicContact CD1-CD1 3.97Å; F57-L61 HydrophobicContact CD1-CG 4.08Å; F57-L61 HydrophobicContact CE1-CD1 3.48Å; F57-L61 VanDerWaalsContact CE1-CD1 3.48Å; F57-L61 HydrophobicContact CE1-CD2 4.09Å; F57-L61 HydrophobicContact CE1-CG 3.71Å; F57-L61 HydrophobicContact CZ-CD1 4.31Å; F57-L61 HydrophobicContact CZ-CD2 4.11Å; F57-L61 HydrophobicContact CZ-CG 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.13Å
58N90.8Very high89.7Confident0 Ų056.7 Ų56.70%028%0.279CS..Hα-helixtrans-65.3-42177.5-67.7-27000111.4Y54 Q55 E56 E60 L61 L62 V166 R169Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.27Å; Q55-N58 PolarHBondContact O-N 2.88Å; Q55-N58 VanDerWaalsContact O-N 3.1Å; E56-N58 VanDerWaalsContact C-N 3.35Å; E56-N58 PolarHBondContact O-N 2.93Å; N58-E60 VanDerWaalsContact C-N 3.34Å; N58-L61 PolarHBondContact O-N 3.47Å; N58-L62 WeakPolarHBondContact O-CG 3.28Å; N58-L62 PolarHBondContact O-N 3.38Å; N58-V166 HydrophobicContact CB-CG1 4.41Å; N58-V166 HydrophobicContact CB-CG2 4.28Å; N58-R169 VanDerWaalsContact OD1-CD 3.3Å; N58-R169 WeakPolarHBondContact OD1-CD 3.48Å
59L91.3Very high90Very high37 Ų3752 Ų5219%0.19426%0.257CS..Hα-helixtrans-63.6-39.8175.3-70.8175000111.8Q55 E56 L61 L62 R63 L114 E115Q55-L59 PolarHBondContact O-N 2.87Å; Q55-L59 VanDerWaalsContact O-N 3.09Å; E56-L59 PolarHBondContact O-N 2.99Å; L59-L61 PolarHBondContact O-N 2.68Å; L59-L62 PolarHBondContact O-N 2.91Å; L59-R63 WeakPolarHBondContact O-CB 3.41Å; L59-R63 PolarHBondContact O-N 3Å; L59-L114 HydrophobicContact CD2-CB 3.77Å; L59-E115 HydrophobicContact CD1-CG 3.81Å; L59-E115 HydrophobicContact CD2-CG 3.87Å
60E92.6Very high90.2Very high57 Ų5750.3 Ų50.327%0.26625%0.246SC..Hα-helixtrans-66.1-38.5178.1-169.857.5-15600112.2E56 F57 N58 L62 R63 I64E56-E60 PolarHBondContact O-N 3.29Å; F57-E60 PolarHBondContact O-N 2.9Å; N58-E60 VanDerWaalsContact C-N 3.34Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.27Å; E60-I64 PolarHBondContact O-N 3.46Å
61L95Very high90.5Very high11 Ų1149 Ų496%0.05823%0.233CC..Hα-helixtrans-61.2-39.7172.5-73.8-174.3000112.7F57 N58 L59 S65 F162 I165 V166F57-L61 HydrophobicContact CD1-CD1 3.97Å; F57-L61 HydrophobicContact CD1-CG 4.08Å; F57-L61 HydrophobicContact CE1-CD1 3.48Å; F57-L61 VanDerWaalsContact CE1-CD1 3.48Å; F57-L61 HydrophobicContact CE1-CD2 4.09Å; F57-L61 HydrophobicContact CE1-CG 3.71Å; F57-L61 HydrophobicContact CZ-CD1 4.31Å; F57-L61 HydrophobicContact CZ-CD2 4.11Å; F57-L61 HydrophobicContact CZ-CG 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.13Å; N58-L61 PolarHBondContact O-N 3.47Å; L59-L61 PolarHBondContact O-N 2.68Å; L61-S65 WeakPolarHBondContact O-CB 3.26Å; L61-S65 PolarHBondContact O-N 2.98Å; L61-S65 PolarHBondContact O-OG 3.14Å; L61-F162 HydrophobicContact CB-CB 4.32Å; L61-F162 HydrophobicContact CD2-CB 4.41Å; L61-F162 HydrophobicContact CD2-CD1 3.74Å; L61-F162 HydrophobicContact CD2-CD2 4.43Å; L61-F162 HydrophobicContact CD2-CE1 4.03Å; L61-F162 HydrophobicContact CD2-CG 3.95Å; L61-I165 HydrophobicContact CD1-CB 4.06Å; L61-I165 HydrophobicContact CD1-CG2 3.58Å; L61-V166 HydrophobicContact CB-CG2 3.83Å; L61-V166 HydrophobicContact CD1-CG2 4Å
62L95.4Very high90.9Very high0 Ų044.3 Ų44.30%022%0.215CC..Hα-helixtrans-67.3-41174.3-67.7-178.2000111.3N58 L59 E60 S65 L66 I107 L110 M111 L114 L163 V166N58-L62 WeakPolarHBondContact O-CG 3.28Å; N58-L62 PolarHBondContact O-N 3.38Å; L59-L62 PolarHBondContact O-N 2.91Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.35Å; L62-S65 WeakPolarHBondContact O-CB 3.48Å; L62-S65 PolarHBondContact O-N 2.97Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 2.87Å; L62-I107 HydrophobicContact CB-CG2 4.19Å; L62-I107 HydrophobicContact CD2-CG2 4.45Å; L62-I107 WeakPolarHBondContact O-CG2 3.34Å; L62-L110 HydrophobicContact CD1-CB 3.92Å; L62-L110 HydrophobicContact CD2-CD1 4.48Å; L62-M111 HydrophobicContact CB-CG 3.54Å; L62-M111 HydrophobicContact CB-SD 4.1Å; L62-M111 HydrophobicContact CD1-CG 3.77Å; L62-M111 HydrophobicContact CG-CG 4.31Å; L62-L114 HydrophobicContact CD1-CD1 3.7Å; L62-L163 HydrophobicContact CD2-CD2 3.56Å; L62-V166 HydrophobicContact CD1-CG1 4.27Å; L62-V166 HydrophobicContact CD2-CB 4.33Å; L62-V166 HydrophobicContact CD2-CG1 4.14Å; L62-V166 HydrophobicContact CD2-CG2 4.15Å; L62-V166 HydrophobicContact CG-CG1 4.22Å; L62-V166 HydrophobicContact CG-CG2 4.17Å
63R94.5Very high91.2Very high67 Ų6741.2 Ų41.225%0.25320%0.198SC..Hα-helixtrans-61.3-46.9176.7-171.9-177.4-177.8105.15.2111.9L59 E60 S65 L66 L67 M111L59-R63 WeakPolarHBondContact O-CB 3.41Å; L59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.44Å; R63-L66 WeakPolarHBondContact O-CB 3.49Å; R63-L66 PolarHBondContact O-N 2.71Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 3.31Å; R63-M111 HydrophobicContact CB-CE 4.19Å
64I92.9Very high91.4Very high50 Ų5043.3 Ų43.326%0.25620%0.203SC..Hα-helixtrans-62.2-43.8176.1-66.5165.4000110.2E60 L66 L67 L68 F162E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.27Å; E60-I64 PolarHBondContact O-N 3.46Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.04Å; I64-L67 PolarHBondContact O-N 2.96Å; I64-L68 HydrophobicContact CG2-CD1 4.31Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 3.07Å; I64-F162 HydrophobicContact CB-CE2 4.43Å; I64-F162 HydrophobicContact CG2-CD2 4.25Å; I64-F162 HydrophobicContact CG2-CE2 3.69Å
65S96.6Very high91.5Very high0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-57.8-45.4175.6-61.70000111.6L61 L62 R63 L67 L68 I69 F162L61-S65 WeakPolarHBondContact O-CB 3.26Å; L61-S65 PolarHBondContact O-N 2.98Å; L61-S65 PolarHBondContact O-OG 3.14Å; L62-S65 WeakPolarHBondContact O-CB 3.48Å; L62-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.44Å; S65-L67 PolarHBondContact O-N 3.02Å; S65-L68 PolarHBondContact O-N 3.47Å; S65-I69 WeakPolarHBondContact O-CG1 3.26Å; S65-I69 PolarHBondContact O-N 3.04Å; S65-F162 WeakPolarHBondContact OG-CB 3.47Å
66L96.1Very high91.5Very high21 Ų2138.9 Ų38.911%0.1119%0.188CC..Hα-helixtrans-59.8-45.8177.2-174.964.8000111.8L62 R63 I64 L68 I69 Q70 E104 I107 Q108 M111L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 2.87Å; R63-L66 WeakPolarHBondContact O-CB 3.49Å; R63-L66 PolarHBondContact O-N 2.71Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.04Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.18Å; L66-I69 PolarHBondContact O-N 3.28Å; L66-Q70 HydrophobicContact CD1-CG 4.45Å; L66-Q70 HydrophobicContact CG-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.12Å; L66-E104 HydrophobicContact CD1-CB 4.42Å; L66-E104 HydrophobicContact CD1-CG 3.56Å; L66-I107 HydrophobicContact CB-CG2 3.99Å; L66-I107 HydrophobicContact CD1-CG2 4.36Å; L66-Q108 HydrophobicContact CD1-CG 3.92Å; L66-Q108 HydrophobicContact CD2-CG 4.06Å; L66-M111 HydrophobicContact CD2-SD 4.15Å
67L94.3Very high91.1Very high46 Ų4637.1 Ų37.124%0.24118%0.18CC..Hα-helixtrans-61.5-41.5177.8-70.7173.5000112.1R63 I64 S65 Q70 S71R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 3.31Å; I64-L67 PolarHBondContact O-N 2.96Å; S65-L67 PolarHBondContact O-N 3.02Å; L67-Q70 PolarHBondContact O-N 3.3Å; L67-S71 WeakPolarHBondContact O-CB 3.08Å; L67-S71 PolarHBondContact O-N 2.96Å
68L94.8Very high90.4Very high9 Ų937.9 Ų37.95%0.04719%0.188CC..Hα-helixtrans-61.7-49.6175.5-71.8172.8000110.7I64 S65 L66 Q70 S71 W72 Y129 D155 K158 V159I64-L68 HydrophobicContact CG2-CD1 4.31Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 3.07Å; S65-L68 PolarHBondContact O-N 3.47Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.18Å; L68-Q70 PolarHBondContact O-N 3.5Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 PolarHBondContact O-OG 3.4Å; L68-W72 PolarHBondContact O-N 2.92Å; L68-Y129 HydrophobicContact CD2-CE2 4.11Å; L68-D155 HydrophobicContact CD2-CB 4.22Å; L68-K158 HydrophobicContact CD1-CB 4.34Å; L68-K158 HydrophobicContact CD1-CD 4.46Å; L68-V159 HydrophobicContact CB-CG2 3.87Å; L68-V159 HydrophobicContact CD1-CG2 3.88Å
69I94.7Very high89.5Confident0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-57.6-48.9178-66.2-61.4000111.3S65 L66 S71 W72 L73 L100 L103 E104 I107 M156 V159S65-I69 WeakPolarHBondContact O-CG1 3.26Å; S65-I69 PolarHBondContact O-N 3.04Å; L66-I69 PolarHBondContact O-N 3.28Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.34Å; I69-W72 PolarHBondContact O-N 2.82Å; I69-W72 VanDerWaalsContact O-N 3.08Å; I69-L73 PolarHBondContact O-N 3.44Å; I69-L100 HydrophobicContact CD1-CD2 3.61Å; I69-L100 HydrophobicContact CG2-CB 4.25Å; I69-L100 HydrophobicContact CG2-CD2 4.42Å; I69-L100 WeakPolarHBondContact CG2-O 3.3Å; I69-L103 HydrophobicContact CD1-CD2 3.57Å; I69-L103 HydrophobicContact CD1-CG 4.23Å; I69-L103 HydrophobicContact CG1-CD2 4.17Å; I69-L103 HydrophobicContact CG1-CG 4.36Å; I69-E104 HydrophobicContact CG2-CB 3.96Å; I69-I107 HydrophobicContact CG1-CD1 4.2Å; I69-M156 HydrophobicContact CD1-CE 3.93Å; I69-M156 HydrophobicContact CD1-SD 3.75Å; I69-V159 HydrophobicContact CD1-CG1 4.23Å; I69-V159 HydrophobicContact CD1-CG2 4.24Å; I69-V159 HydrophobicContact CG1-CG1 4.37Å; I69-V159 HydrophobicContact CG1-CG2 4.34Å
70Q93.4Very high88.5Confident75 Ų7545.6 Ų45.635%0.3521%0.214SC..Hα-helixtrans-61.3-38.6179.1-73.4176.9-21.500112.5L66 L67 L68 W72 L73 E104L66-Q70 HydrophobicContact CD1-CG 4.45Å; L66-Q70 HydrophobicContact CG-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.12Å; L67-Q70 PolarHBondContact O-N 3.3Å; L68-Q70 PolarHBondContact O-N 3.5Å; Q70-W72 PolarHBondContact O-N 3.27Å; Q70-L73 PolarHBondContact O-N 3.49Å; Q70-E104 HydrophobicContact CG-CG 4.3Å; Q70-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E104 PolarHBondContact NE2-OE1 2.87Å
71S92.4Very high87.2Confident32 Ų3246.3 Ų46.322%0.22423%0.226CC..Hα-helixtrans-63.8-23.5177.578.30000113.5L67 L68 I69 P75 Y129L67-S71 WeakPolarHBondContact O-CB 3.08Å; L67-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 PolarHBondContact O-OG 3.4Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-P75 WeakPolarHBondContact O-CD 3.34Å; S71-P75 WeakPolarHBondContact O-CG 3.41Å; S71-Y129 VanDerWaalsContact CB-CD1 3.45Å
72W92Very high85.9Confident13 Ų1347.7 Ų47.75%0.04924%0.235CC..Hα-helixtrans-94.7-10.5-178.2-80108000114.3L68 I69 Q70 E74 P75 V76 L100 L148 C151 F152 D155 M156L68-W72 PolarHBondContact O-N 2.92Å; I69-W72 PolarHBondContact O-N 2.82Å; I69-W72 VanDerWaalsContact O-N 3.08Å; Q70-W72 PolarHBondContact O-N 3.27Å; W72-E74 VanDerWaalsContact C-N 3.32Å; W72-E74 PolarHBondContact O-N 2.95Å; W72-P75 HydrophobicContact CE3-CB 3.72Å; W72-P75 HydrophobicContact CE3-CG 4.26Å; W72-P75 HydrophobicContact CZ3-CB 3.82Å; W72-P75 WeakPolarHBondContact O-CD 3.28Å; W72-V76 VanDerWaalsContact O-CB 3.25Å; W72-V76 WeakPolarHBondContact O-CB 3.39Å; W72-V76 WeakPolarHBondContact O-CG1 3.46Å; W72-V76 PolarHBondContact O-N 3.38Å; W72-L100 HydrophobicContact CB-CD1 4.17Å; W72-L148 HydrophobicContact CH2-CD2 4.24Å; W72-L148 VanDerWaalsContact CH2-O 3.25Å; W72-L148 WeakPolarHBondContact CH2-O 3.43Å; W72-L148 HydrophobicContact CZ3-CD2 4.29Å; W72-C151 HydrophobicContact CH2-CB 3.77Å; W72-C151 VanDerWaalsContact CZ2-C 3.47Å; W72-C151 HydrophobicContact CZ2-CB 3.65Å; W72-F152 HydrophobicContact CB-CD2 4.29Å; W72-F152 HydrophobicContact CB-CE2 4.32Å; W72-F152 HydrophobicContact CD2-CB 4.35Å; W72-F152 AromaticContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CE2 4.5Å; W72-F152 HydrophobicContact CD2-CG 4.5Å; W72-F152 HydrophobicContact CE3-CB 4.08Å; W72-F152 AromaticContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CG 4.32Å; W72-F152 AromaticContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CE2 4.35Å; W72-F152 HydrophobicContact CH2-CB 3.83Å; W72-F152 VanDerWaalsContact CZ2-CA 3.49Å; W72-F152 HydrophobicContact CZ2-CB 4.09Å; W72-F152 VanDerWaalsContact CZ2-N 3.25Å; W72-F152 HydrophobicContact CZ3-CB 3.82Å; W72-F152 HydrophobicContact CZ3-CD2 4.26Å; W72-D155 PolarHBondContact NE1-OD2 3.43Å; W72-M156 HydrophobicContact CG-CE 4.26Å
73L88.3Confident84.4Confident18 Ų1850.6 Ų50.69%0.09425%0.248CC..THydrogen-bonded Turntrans-59.8-37.9-179.8-70175.4000113.6I69 Q70 Q77 Y97 L100 K101I69-L73 PolarHBondContact O-N 3.44Å; Q70-L73 PolarHBondContact O-N 3.49Å; L73-Q77 WeakPolarHBondContact O-CG 3.4Å; L73-Q77 PolarHBondContact O-NE2 2.78Å; L73-Y97 HydrophobicContact CB-CE2 4.33Å; L73-Y97 HydrophobicContact CD2-CD2 4.4Å; L73-Y97 HydrophobicContact CD2-CE2 4.12Å; L73-L100 HydrophobicContact CD2-CB 3.91Å; L73-K101 HydrophobicContact CD1-CD 4.34Å; L73-K101 HydrophobicContact CD2-CD 3.91Å; L73-K101 HydrophobicContact CD2-CG 4.08Å
74E85.1Confident82.7Confident120 Ų12050.9 Ų50.956%0.56126%0.264SS*.THydrogen-bonded Turntrans-82.4-52176.5-66.2-63.9159.800112.1W72 V76 Q77W72-E74 VanDerWaalsContact C-N 3.32Å; W72-E74 PolarHBondContact O-N 2.95Å; E74-V76 VanDerWaalsContact C-N 3.28Å; E74-V76 PolarHBondContact O-N 2.95Å; E74-Q77 WeakPolarHBondContact O-CB 3.32Å; E74-Q77 PolarHBondContact O-N 3.32Å; E74-Q77 VanDerWaalsContact O-N 3.1Å
75P82.9Confident80.9Confident29 Ų2954.7 Ų54.719%0.18829%0.285CS..Hα-helixtrans-60.1-32.2-179-24.334000114.5S71 W72 Q77 L78 L79S71-P75 WeakPolarHBondContact O-CD 3.34Å; S71-P75 WeakPolarHBondContact O-CG 3.41Å; W72-P75 HydrophobicContact CE3-CB 3.72Å; W72-P75 HydrophobicContact CE3-CG 4.26Å; W72-P75 HydrophobicContact CZ3-CB 3.82Å; W72-P75 WeakPolarHBondContact O-CD 3.28Å; P75-Q77 PolarHBondContact O-N 2.86Å; P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 3.47Å; P75-L78 VanDerWaalsContact O-N 3.09Å; P75-L79 PolarHBondContact O-N 3.28Å
76V83.8Confident79.1Confident4 Ų457.4 Ų57.42%0.02430%0.304CS..Hα-helixtrans-65.8-25.418081.80000112.4W72 E74 L78 L79 R80 F83 V96 Y97 L100W72-V76 VanDerWaalsContact O-CB 3.25Å; W72-V76 WeakPolarHBondContact O-CB 3.39Å; W72-V76 WeakPolarHBondContact O-CG1 3.46Å; W72-V76 PolarHBondContact O-N 3.38Å; E74-V76 VanDerWaalsContact C-N 3.28Å; E74-V76 PolarHBondContact O-N 2.95Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 3Å; V76-L79 PolarHBondContact O-N 3.43Å; V76-R80 PolarHBondContact O-N 3.49Å; V76-F83 HydrophobicContact CG2-CE2 3.96Å; V76-V96 HydrophobicContact CG2-CB 3.94Å; V76-V96 HydrophobicContact CG2-CG1 3.6Å; V76-Y97 HydrophobicContact CG1-CD2 4.04Å; V76-L100 HydrophobicContact CB-CD1 4.09Å; V76-L100 HydrophobicContact CG1-CD1 3.92Å; V76-L100 HydrophobicContact CG2-CD1 4.22Å
77Q77.7Confident76.9Confident89 Ų8965 Ų6542%0.41634%0.343SS..Hα-helixtrans-68.6-32.4176.2-60.7175.535.800111L73 E74 P75 L79 R80 Y97L73-Q77 WeakPolarHBondContact O-CG 3.4Å; L73-Q77 PolarHBondContact O-NE2 2.78Å; E74-Q77 WeakPolarHBondContact O-CB 3.32Å; E74-Q77 PolarHBondContact O-N 3.32Å; E74-Q77 VanDerWaalsContact O-N 3.1Å; P75-Q77 PolarHBondContact O-N 2.86Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; Q77-R80 WeakPolarHBondContact O-CB 3.38Å; Q77-R80 PolarHBondContact O-N 2.9Å; Q77-Y97 HydrophobicContact CG-CD2 4.08Å; Q77-Y97 HydrophobicContact CG-CE2 4.44Å
78L73.6Confident75Confident118 Ų11869.2 Ų69.262%0.61837%0.371SS*.Hα-helixtrans-69.4-29.1173.5-61170.4000112.1P75 V76 R80P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 3.47Å; P75-L78 VanDerWaalsContact O-N 3.09Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 3Å; L78-R80 VanDerWaalsContact C-N 3.3Å
79L72Confident72.7Confident0 Ų078.4 Ų78.40%041%0.406CS..THydrogen-bonded Turntrans-84.5-2.3176.7-64.7176.5000113.4P75 V76 Q77 S81 V82 F83 L148 L149P75-L79 PolarHBondContact O-N 3.28Å; V76-L79 PolarHBondContact O-N 3.43Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.38Å; L79-V82 WeakPolarHBondContact O-CB 3.49Å; L79-V82 PolarHBondContact O-N 3.08Å; L79-F83 HydrophobicContact CB-CD2 3.73Å; L79-F83 HydrophobicContact CB-CE2 3.38Å; L79-F83 HydrophobicContact CB-CZ 4.31Å; L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 HydrophobicContact CD1-CZ 4.23Å; L79-F83 HydrophobicContact CG-CE2 4.33Å; L79-F83 WeakPolarHBondContact O-CD2 3Å; L79-F83 PolarHBondContact O-N 3.29Å; L79-L148 HydrophobicContact CD1-CB 4.15Å; L79-L148 HydrophobicContact CD2-CB 3.98Å; L79-L148 HydrophobicContact CD2-CD1 4.32Å; L79-L148 HydrophobicContact CG-CB 4.43Å; L79-L149 HydrophobicContact CD1-CD2 4.07Å; L79-L149 HydrophobicContact CD1-CG 4.43Å; L79-L149 HydrophobicContact CD2-CG 4.29Å
80R70.8Confident70.2Confident198 Ų19881.7 Ų81.775%0.74744%0.44SS*.Hα-helixtrans-53.2-43.2-176.2-177.9179.5177.3-179.3-0113.1V76 Q77 L78 A84V76-R80 PolarHBondContact O-N 3.49Å; Q77-R80 WeakPolarHBondContact O-CB 3.38Å; Q77-R80 PolarHBondContact O-N 2.9Å; L78-R80 VanDerWaalsContact C-N 3.3Å; R80-A84 VanDerWaalsContact O-CB 3.3Å; R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.31Å
81S64.8Low67.9Low72 Ų7283.2 Ų83.250%0.50347%0.465SS..Hα-helixtrans-68.1-35.1178.858.30000112.4L79 N85L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.38Å; S81-N85 PolarHBondContact O-N 3.23Å; S81-N85 PolarHBondContact O-ND2 3.45Å; S81-N85 VanDerWaalsContact O-ND2 3.14Å
82V66.9Low65.7Low41 Ų4186.5 Ų86.525%0.24849%0.489CS..Hα-helixtrans-68.4-43.6178-175.20000110.7L79 N85 N145 L149L79-V82 WeakPolarHBondContact O-CB 3.49Å; L79-V82 PolarHBondContact O-N 3.08Å; V82-N85 PolarHBondContact O-N 3.37Å; V82-N145 HydrophobicContact CG2-CB 4.32Å; V82-L149 HydrophobicContact CG1-CD1 3.86Å
83F64.3Low63.7Low61 Ų6192.8 Ų92.827%0.26852%0.523SS..Hα-helixtrans-68.2-37.1175.7-68.2-60.2000112.9V76 L79 N85 S86 V96 L149 F152V76-F83 HydrophobicContact CG2-CE2 3.96Å; L79-F83 HydrophobicContact CB-CD2 3.73Å; L79-F83 HydrophobicContact CB-CE2 3.38Å; L79-F83 HydrophobicContact CB-CZ 4.31Å; L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 HydrophobicContact CD1-CZ 4.23Å; L79-F83 HydrophobicContact CG-CE2 4.33Å; L79-F83 WeakPolarHBondContact O-CD2 3Å; L79-F83 PolarHBondContact O-N 3.29Å; F83-N85 PolarHBondContact O-N 2.69Å; F83-S86 PolarHBondContact O-N 3Å; F83-S86 PolarHBondContact O-OG 3.33Å; F83-V96 HydrophobicContact CD1-CG2 4.46Å; F83-V96 HydrophobicContact CD2-CG2 4.23Å; F83-V96 HydrophobicContact CE2-CG2 4.4Å; F83-V96 HydrophobicContact CG-CG2 4.26Å; F83-L149 HydrophobicContact CD1-CD2 4.46Å; F83-L149 HydrophobicContact CE1-CD2 3.53Å; F83-L149 HydrophobicContact CE2-CD2 4.24Å; F83-L149 HydrophobicContact CZ-CD2 3.4Å; F83-F152 HydrophobicContact CZ-CD1 4.33Å; F83-F152 HydrophobicContact CZ-CE1 4.44Å
84A59.5Low62.2Low72 Ų7294 Ų9460%0.59553%0.533SS*.Hα-helixtrans-64.8-27.3176.800000113.2R80R80-A84 VanDerWaalsContact O-CB 3.3Å; R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.31Å
85N55.6Low61.7Low131 Ų13192 Ų9270%0.70153%0.526SS*.THydrogen-bonded Turntrans-88-9-179.4-69.6-20.1000113.8S81 V82 F83 L87S81-N85 PolarHBondContact O-N 3.23Å; S81-N85 PolarHBondContact O-ND2 3.45Å; S81-N85 VanDerWaalsContact O-ND2 3.14Å; V82-N85 PolarHBondContact O-N 3.37Å; F83-N85 PolarHBondContact O-N 2.69Å; N85-L87 PolarHBondContact O-N 3.23Å
86S57.7Low61.8Low56 Ų5692.5 Ų92.539%0.39253%0.529SS..  trans-78.8105179.6870000109.8F83 V88F83-S86 PolarHBondContact O-N 3Å; F83-S86 PolarHBondContact O-OG 3.33Å; S86-V88 PolarHBondContact O-N 2.93Å
87L51.4Low61.9Low180 Ų18096.5 Ų96.594%0.94254%0.544SS*.THydrogen-bonded Turntrans-62.72.8173.5-74.5161.1000114N85N85-L87 PolarHBondContact O-N 3.23Å
88V53.4Low62.4Low135 Ų13598.2 Ų98.282%0.81855%0.546SS*.THydrogen-bonded Turntrans-92.4-12.9-170.3178.80000112.4S86S86-V88 PolarHBondContact O-N 2.93Å
89Y47.4Very low63.2Low203 Ų20397.4 Ų97.480%0.79654%0.539SS*.SBendtrans-136.4106.9172-139.2-102.6000107.9A91Y89-A91 PolarHBondContact O-N 3.07Å; Y89-A91 VanDerWaalsContact O-N 3.12Å
90G41.8Very low64.2Low68 Ų6897.7 Ų97.770%0.70154%0.541SS*.  trans-43.8122.8178.700000110.5S92G90-S92 PolarHBondContact O-N 3Å
91A44.5Very low65.2Low107 Ų10791.2 Ų91.288%0.88452%0.518SS*.THydrogen-bonded Turntrans-68.341-166.100000115.3Y89Y89-A91 PolarHBondContact O-N 3.07Å; Y89-A91 VanDerWaalsContact O-N 3.12Å
92S47.1Very low66.6Low102 Ų10292.1 Ų92.171%0.71352%0.517SS*.THydrogen-bonded Turntrans-108.3-39.4-173.4-166.60000115.9G90G90-S92 PolarHBondContact O-N 3Å
93D48.7Very low68Low145 Ų14593 Ų9378%0.77552%0.52SS*.SBendtrans-120.14.6-152.2-108.4-1.7000121.4
94S57Low69.4Low43 Ų4390.9 Ų90.930%0.30151%0.511SS..  trans-178.8131.9151.4-98.10000112.5V96 H99S94-V96 PolarHBondContact O-N 3.31Å; S94-H99 WeakPolarHBondContact CB-CE1 3.41Å; S94-H99 WeakPolarHBondContact CB-ND1 3.34Å; S94-H99 WeakPolarHBondContact CB-NE2 3.49Å; S94-H99 PolarHBondContact O-CE1 2.86Å
95N75.4Confident71.1Confident78 Ų7893 Ų9342%0.41751%0.509SS..  trans-63.5137.1168.967.263.5000109.4Y97 R98 H99N95-Y97 PolarHBondContact O-N 3.4Å; N95-Y97 VanDerWaalsContact O-N 3.15Å; N95-R98 WeakPolarHBondContact O-CB 3.45Å; N95-R98 PolarHBondContact O-N 3.01Å; N95-R98 WeakPolarHBondContact OD1-CA 3.44Å; N95-R98 WeakPolarHBondContact OD1-CB 3.4Å; N95-R98 PolarHBondContact OD1-N 3.14Å; N95-H99 PolarHBondContact O-N 3.02Å; N95-H99 PolarHBondContact O-ND1 2.91Å
96V84.4Confident72.9Confident40 Ų4088.3 Ų88.324%0.24249%0.491CS..Hα-helixtrans-54.6-35.5-177.4-177.70000111.5V76 F83 S94 R98 H99 L100 F152V76-V96 HydrophobicContact CG2-CB 3.94Å; V76-V96 HydrophobicContact CG2-CG1 3.6Å; F83-V96 HydrophobicContact CD1-CG2 4.46Å; F83-V96 HydrophobicContact CD2-CG2 4.23Å; F83-V96 HydrophobicContact CE2-CG2 4.4Å; F83-V96 HydrophobicContact CG-CG2 4.26Å; S94-V96 PolarHBondContact O-N 3.31Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 3.07Å; V96-H99 PolarHBondContact O-N 2.9Å; V96-L100 HydrophobicContact CG1-CD1 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.3Å; V96-F152 HydrophobicContact CG1-CE1 4.08Å; V96-F152 HydrophobicContact CG1-CE2 4.4Å; V96-F152 HydrophobicContact CG1-CZ 3.57Å
97Y86.5Confident74.7Confident88 Ų8885.7 Ų85.735%0.34547%0.473SS..Hα-helixtrans-56.7-43.2174.7178.8-88.2000113.1L73 V76 Q77 N95 L100 K101L73-Y97 HydrophobicContact CB-CE2 4.33Å; L73-Y97 HydrophobicContact CD2-CD2 4.4Å; L73-Y97 HydrophobicContact CD2-CE2 4.12Å; V76-Y97 HydrophobicContact CG1-CD2 4.04Å; Q77-Y97 HydrophobicContact CG-CD2 4.08Å; Q77-Y97 HydrophobicContact CG-CE2 4.44Å; N95-Y97 PolarHBondContact O-N 3.4Å; N95-Y97 VanDerWaalsContact O-N 3.15Å; Y97-L100 PolarHBondContact O-N 3.47Å; Y97-K101 HydrophobicContact CD1-CG 4.24Å; Y97-K101 HydrophobicContact CE1-CG 3.71Å; Y97-K101 PolarHBondContact O-N 3.47Å
98R88.6Confident76.8Confident124 Ų12481.1 Ų81.147%0.46845%0.447SS..Hα-helixtrans-65.4-45.1178.5-176.8-175-64153.9-3.6110.3N95 V96 L100 K101 D102N95-R98 WeakPolarHBondContact O-CB 3.45Å; N95-R98 PolarHBondContact O-N 3.01Å; N95-R98 WeakPolarHBondContact OD1-CA 3.44Å; N95-R98 WeakPolarHBondContact OD1-CB 3.4Å; N95-R98 PolarHBondContact OD1-N 3.14Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 3.07Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.36Å; R98-K101 WeakPolarHBondContact O-CA 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.3Å; R98-K101 PolarHBondContact O-N 3.14Å; R98-D102 PolarHBondContact O-N 3.43Å
99H89.8Confident78.6Confident101 Ų10178.1 Ų78.147%0.46843%0.429SS..Hα-helixtrans-58.4-41.4174.2-64.7111.3000112.5S94 N95 V96 K101 L103S94-H99 WeakPolarHBondContact CB-CE1 3.41Å; S94-H99 WeakPolarHBondContact CB-ND1 3.34Å; S94-H99 WeakPolarHBondContact CB-NE2 3.49Å; S94-H99 PolarHBondContact O-CE1 2.86Å; N95-H99 PolarHBondContact O-N 3.02Å; N95-H99 PolarHBondContact O-ND1 2.91Å; V96-H99 PolarHBondContact O-N 2.9Å; H99-K101 VanDerWaalsContact C-N 3.32Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.17Å
100L92Very high80.7Confident6 Ų672.2 Ų72.23%0.03141%0.41CS..Hα-helixtrans-64.1-38.8175.8-68.1174.3000111.4I69 W72 L73 V76 V96 Y97 R98 E104 F152 M156I69-L100 HydrophobicContact CD1-CD2 3.61Å; I69-L100 HydrophobicContact CG2-CB 4.25Å; I69-L100 HydrophobicContact CG2-CD2 4.42Å; I69-L100 WeakPolarHBondContact CG2-O 3.3Å; W72-L100 HydrophobicContact CB-CD1 4.17Å; L73-L100 HydrophobicContact CD2-CB 3.91Å; V76-L100 HydrophobicContact CB-CD1 4.09Å; V76-L100 HydrophobicContact CG1-CD1 3.92Å; V76-L100 HydrophobicContact CG2-CD1 4.22Å; V96-L100 HydrophobicContact CG1-CD1 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.3Å; Y97-L100 PolarHBondContact O-N 3.47Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.36Å; L100-E104 WeakPolarHBondContact O-CB 2.99Å; L100-E104 PolarHBondContact O-N 3.4Å; L100-F152 HydrophobicContact CD1-CE2 4.01Å; L100-F152 HydrophobicContact CD2-CE2 4.09Å; L100-F152 HydrophobicContact CD2-CZ 4.34Å; L100-M156 HydrophobicContact CD2-CE 4.33Å; L100-M156 HydrophobicContact CD2-SD 3.66Å
101K92.6Very high83.1Confident63 Ų6370.1 Ų70.127%0.27438%0.383SS..Hα-helixtrans-66.8-48.4175.8-84-55.4-156.1176.10113.2L73 Y97 R98 H99 L103 E104 E105L73-K101 HydrophobicContact CD1-CD 4.34Å; L73-K101 HydrophobicContact CD2-CD 3.91Å; L73-K101 HydrophobicContact CD2-CG 4.08Å; Y97-K101 HydrophobicContact CD1-CG 4.24Å; Y97-K101 HydrophobicContact CE1-CG 3.71Å; Y97-K101 PolarHBondContact O-N 3.47Å; R98-K101 WeakPolarHBondContact O-CA 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.3Å; R98-K101 PolarHBondContact O-N 3.14Å; H99-K101 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.22Å; K101-E104 VanDerWaalsContact CD-OE2 3.27Å; K101-E104 WeakPolarHBondContact CD-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 3.97Å; K101-E104 PolarHBondContact NZ-OE2 2.84Å; K101-E104 WeakPolarHBondContact O-CB 3.47Å; K101-E104 PolarHBondContact O-N 3.5Å; K101-E104 VanDerWaalsContact O-N 3.14Å; K101-E105 PolarHBondContact O-N 3.22Å
102D93.8Very high85.1Confident90 Ų9073.4 Ų73.448%0.48137%0.372SS..Hα-helixtrans-60.4-37.8177.2-61.3-14.2000110.4R98 G106R98-D102 PolarHBondContact O-N 3.43Å; D102-G106 PolarHBondContact O-N 2.85Å
103L95.9Very high87Confident59 Ų5977.4 Ų77.431%0.30937%0.372SS..Hα-helixtrans-70.5-39.2175.6-175.356.1000112.8I69 H99 K101 E105 G106 I107 V159 L163I69-L103 HydrophobicContact CD1-CD2 3.57Å; I69-L103 HydrophobicContact CD1-CG 4.23Å; I69-L103 HydrophobicContact CG1-CD2 4.17Å; I69-L103 HydrophobicContact CG1-CG 4.36Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.17Å; K101-L103 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.03Å; L103-G106 PolarHBondContact O-N 3.49Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.1Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.99Å; L103-V159 HydrophobicContact CD2-CG1 4.12Å; L103-L163 HydrophobicContact CD1-CD1 3.93Å
104E95.6Very high88.7Confident18 Ų1872.6 Ų72.68%0.08435%0.346CS..Hα-helixtrans-54.3-50.7172.5-171.7-172.8-174.700110.5L66 I69 Q70 L100 K101 I107 Q108L66-E104 HydrophobicContact CD1-CB 4.42Å; L66-E104 HydrophobicContact CD1-CG 3.56Å; I69-E104 HydrophobicContact CG2-CB 3.96Å; Q70-E104 HydrophobicContact CG-CG 4.3Å; Q70-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E104 PolarHBondContact NE2-OE1 2.87Å; L100-E104 WeakPolarHBondContact O-CB 2.99Å; L100-E104 PolarHBondContact O-N 3.4Å; K101-E104 VanDerWaalsContact CD-OE2 3.27Å; K101-E104 WeakPolarHBondContact CD-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 3.97Å; K101-E104 PolarHBondContact NZ-OE2 2.84Å; K101-E104 WeakPolarHBondContact O-CB 3.47Å; K101-E104 PolarHBondContact O-N 3.5Å; K101-E104 VanDerWaalsContact O-N 3.14Å; E104-I107 PolarHBondContact O-N 2.85Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.4Å; E104-Q108 PolarHBondContact O-N 3.06Å
105E94.6Very high89.9Confident117 Ų11774.9 Ų74.955%0.54735%0.352SS..Hα-helixtrans-64.4-40.9178.8-67.9178.8-166.700112.2K101 L103 Q108 T109K101-E105 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.03Å; E105-Q108 PolarHBondContact O-N 3.43Å; E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 PolarHBondContact O-N 3.26Å; E105-T109 PolarHBondContact O-OG1 3.47Å
106G93.9Very high89.5Confident32 Ų3277.8 Ų77.833%0.3337%0.367SS..Hα-helixtrans-61.2-44.7175.700000112.7D102 L103 T109 L110D102-G106 PolarHBondContact O-N 2.85Å; L103-G106 PolarHBondContact O-N 3.49Å; G106-T109 PolarHBondContact O-N 3.27Å; G106-L110 WeakPolarHBondContact O-CG 3.09Å; G106-L110 PolarHBondContact O-N 3.27Å
107I95.5Very high88.4Confident1 Ų179.4 Ų79.41%0.00539%0.392CS..Hα-helixtrans-65.8-44.6177.8-68.2170.3000110.8L62 L66 I69 L103 E104 T109 L110 M111 L163L62-I107 HydrophobicContact CB-CG2 4.19Å; L62-I107 HydrophobicContact CD2-CG2 4.45Å; L62-I107 WeakPolarHBondContact O-CG2 3.34Å; L66-I107 HydrophobicContact CB-CG2 3.99Å; L66-I107 HydrophobicContact CD1-CG2 4.36Å; I69-I107 HydrophobicContact CG1-CD1 4.2Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.1Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.99Å; E104-I107 PolarHBondContact O-N 2.85Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3Å; I107-L110 WeakPolarHBondContact O-CB 3.4Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-L110 VanDerWaalsContact O-N 3.14Å; I107-M111 HydrophobicContact CG2-CG 4.42Å; I107-M111 HydrophobicContact CG2-SD 4.2Å; I107-M111 WeakPolarHBondContact O-CG 3.35Å; I107-M111 PolarHBondContact O-N 3.33Å; I107-L163 HydrophobicContact CD1-CD1 4.44Å; I107-L163 HydrophobicContact CD1-CD2 4.31Å; I107-L163 HydrophobicContact CG1-CD2 3.97Å
108Q93.7Very high86.5Confident84 Ų8478.4 Ų78.439%0.39340%0.398SS..Hα-helixtrans-58.9-40.9176.2-73.3172-7.600111.7L66 E104 E105 M111 W112L66-Q108 HydrophobicContact CD1-CG 3.92Å; L66-Q108 HydrophobicContact CD2-CG 4.06Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.4Å; E104-Q108 PolarHBondContact O-N 3.06Å; E105-Q108 PolarHBondContact O-N 3.43Å; Q108-M111 PolarHBondContact O-N 3.26Å; Q108-W112 PolarHBondContact O-N 3.06Å
109T91.9Very high84.8Confident71 Ų7178.6 Ų78.644%0.43642%0.416SS..Hα-helixtrans-64.3-40.7175.7-58.20000111.9E105 G106 I107 R113E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 PolarHBondContact O-N 3.26Å; E105-T109 PolarHBondContact O-OG1 3.47Å; G106-T109 PolarHBondContact O-N 3.27Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3Å; T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.39Å
110L91.8Very high83.1Confident79 Ų7984.6 Ų84.641%0.41443%0.434SS..Hα-helixtrans-64.6-43.6176-73.6172.4000111.9L62 G106 I107 R113 L114L62-L110 HydrophobicContact CD1-CB 3.92Å; L62-L110 HydrophobicContact CD2-CD1 4.48Å; G106-L110 WeakPolarHBondContact O-CG 3.09Å; G106-L110 PolarHBondContact O-N 3.27Å; I107-L110 WeakPolarHBondContact O-CB 3.4Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-L110 VanDerWaalsContact O-N 3.14Å; L110-R113 PolarHBondContact O-N 3.39Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.91Å
111M91.3Very high80.8Confident25 Ų2591 Ų9112%0.12347%0.473CS..Hα-helixtrans-58.3-50.3176-70.4178.167.100110.7L62 R63 L66 I107 Q108 R113 L114 E115L62-M111 HydrophobicContact CB-CG 3.54Å; L62-M111 HydrophobicContact CB-SD 4.1Å; L62-M111 HydrophobicContact CD1-CG 3.77Å; L62-M111 HydrophobicContact CG-CG 4.31Å; R63-M111 HydrophobicContact CB-CE 4.19Å; L66-M111 HydrophobicContact CD2-SD 4.15Å; I107-M111 HydrophobicContact CG2-CG 4.42Å; I107-M111 HydrophobicContact CG2-SD 4.2Å; I107-M111 WeakPolarHBondContact O-CG 3.35Å; I107-M111 PolarHBondContact O-N 3.33Å; Q108-M111 PolarHBondContact O-N 3.26Å; M111-R113 VanDerWaalsContact C-N 3.32Å; M111-R113 PolarHBondContact O-N 3.33Å; M111-L114 PolarHBondContact O-N 3.1Å; M111-E115 WeakPolarHBondContact O-CB 3.44Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.24Å
112W87.6Confident78.3Confident176 Ų17690.5 Ų90.567%0.66749%0.487SS*.Hα-helixtrans-55-45.8176.7174.8-99.6000112.7Q108 L114 E115 D116Q108-W112 PolarHBondContact O-N 3.06Å; W112-L114 PolarHBondContact O-N 3.34Å; W112-E115 PolarHBondContact O-N 3.25Å; W112-D116 PolarHBondContact O-N 3.09Å
113R87.7Confident75.8Confident186 Ų18694 Ų9470%0.70250%0.5SS*.Hα-helixtrans-67.7-32.6-179.7-74.7-175.7-179.7-1701.9113.6T109 L110 M111T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.39Å; L110-R113 PolarHBondContact O-N 3.39Å; M111-R113 VanDerWaalsContact C-N 3.32Å; M111-R113 PolarHBondContact O-N 3.33Å
114L84.1Confident73.2Confident44 Ų4496.7 Ų96.723%0.2351%0.514CS..Hα-helixtrans-81.6-26.4178.1-69.3173.9000112.1L59 L62 L110 M111 W112 V166L59-L114 HydrophobicContact CD2-CB 3.77Å; L62-L114 HydrophobicContact CD1-CD1 3.7Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.91Å; M111-L114 PolarHBondContact O-N 3.1Å; W112-L114 PolarHBondContact O-N 3.34Å; L114-V166 HydrophobicContact CD1-CG1 4.01Å
115E81.4Confident70.5Confident91 Ų91101 Ų10143%0.42553%0.533SS..Hα-helixtrans-72.4-32175-77.4177.7176.800113.3L59 M111 W112 G117 S118L59-E115 HydrophobicContact CD1-CG 3.81Å; L59-E115 HydrophobicContact CD2-CG 3.87Å; M111-E115 WeakPolarHBondContact O-CB 3.44Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.24Å; W112-E115 PolarHBondContact O-N 3.25Å; E115-G117 PolarHBondContact O-N 3.39Å; E115-S118 PolarHBondContact O-N 3.43Å; E115-S118 VanDerWaalsContact O-N 3.08Å
116D68Low67.8Low138 Ų138102.7 Ų102.774%0.73855%0.545SS*.THydrogen-bonded Turntrans-65.5-0.3-177.9-156.425.6000114.2W112W112-D116 PolarHBondContact O-N 3.09Å
117G59.4Low65.5Low75 Ų75106.5 Ų106.577%0.77355%0.554SS**THydrogen-bonded Turntrans-97.7-9.4172.800000116.3E115E115-G117 PolarHBondContact O-N 3.39Å
118S47.2Very low63Low67 Ų67111.8 Ų111.847%0.46959%0.592SS.*  trans-162.9119.8178.7-1740000112.7E115 R120E115-S118 PolarHBondContact O-N 3.43Å; E115-S118 VanDerWaalsContact O-N 3.08Å; S118-R120 PolarHBondContact O-N 3.37Å
119P53.5Low60.8Low128 Ų128112.9 Ų112.983%0.83159%0.593SS**  trans-91.488.6179.933.8-29.3000110.4
120R53.4Low58.8Low226 Ų226113.6 Ų113.685%0.85360%0.601SS**  trans-144.6110.6158.8-72.4-158.8174.6-167.9-1.4113.5S118 G122S118-R120 PolarHBondContact O-N 3.37Å; R120-G122 PolarHBondContact O-N 3.01Å
121T44Very low56.9Low140 Ų140117.6 Ų117.686%0.85962%0.615SS**  trans20.982141.1-45.80000114.9Q123T121-Q123 PolarHBondContact O-N 3.17Å; T121-Q123 VanDerWaalsContact O-N 3.16Å
122G40.7Very low55.1Low54 Ų54123.5 Ų123.556%0.55764%0.64SS**  trans-54.4121.7161.700000108.7R120 I124R120-G122 PolarHBondContact O-N 3.01Å; G122-I124 PolarHBondContact O-N 2.86Å
123Q41.3Very low53Low162 Ų162121.6 Ų121.676%0.75764%0.643SS**  trans-56.6114.1155.4-81.1-174.9-20.200105.4T121 F125T121-Q123 PolarHBondContact O-N 3.17Å; T121-Q123 VanDerWaalsContact O-N 3.16Å; Q123-F125 PolarHBondContact O-N 3.3Å
124I41.5Very low51.3Low116 Ų116116.9 Ų116.960%0.59564%0.635SS**  trans-60.193.7169.5-62.9171.6000104.5G122 N126G122-I124 PolarHBondContact O-N 2.86Å; I124-N126 HydrophobicContact CG2-CB 4.26Å; I124-N126 PolarHBondContact O-N 3.09Å
125F37.8Very low49.8Very low110 Ų110124.7 Ų124.748%0.48267%0.667SS.*  trans-65.295.7166.3-143.7-95.5000104.3Q123 Q127Q123-F125 PolarHBondContact O-N 3.3Å; F125-Q127 HydrophobicContact CD1-CB 4.24Å; F125-Q127 HydrophobicContact CD1-CG 3.86Å; F125-Q127 HydrophobicContact CE1-CG 3.96Å; F125-Q127 PolarHBondContact O-N 3.28Å
126N39.1Very low48.3Very low151 Ų151123.3 Ų123.381%0.80767%0.667SS**  trans-79.962-174.3-138.78.8000107I124 S128I124-N126 HydrophobicContact CG2-CB 4.26Å; I124-N126 PolarHBondContact O-N 3.09Å; N126-S128 PolarHBondContact O-N 3.08Å
127Q45.8Very low47.8Very low112 Ų112125.7 Ų125.752%0.52367%0.674SS.*  trans-85.990.8169.9-103.9178.4-9.200107.6F125 Y129F125-Q127 HydrophobicContact CD1-CB 4.24Å; F125-Q127 HydrophobicContact CD1-CG 3.86Å; F125-Q127 HydrophobicContact CE1-CG 3.96Å; F125-Q127 PolarHBondContact O-N 3.28Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.21Å
128S42.7Very low47.9Very low113 Ų113129.3 Ų129.379%0.7968%0.675SS**  trans-65.798.1160.6-177.10000107.1N126 S130N126-S128 PolarHBondContact O-N 3.08Å; S128-S130 PolarHBondContact O-N 2.9Å; S128-S130 VanDerWaalsContact O-N 3.09Å
129Y47.7Very low48.3Very low107 Ų107131.4 Ų131.442%0.4268%0.681SS.*  trans-60.5113.6170.3-161.5-99.6000106.9L68 S71 Q127 K131 D155L68-Y129 HydrophobicContact CD2-CE2 4.11Å; S71-Y129 VanDerWaalsContact CB-CD1 3.45Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.21Å; Y129-K131 PolarHBondContact O-N 3.43Å; Y129-D155 PolarHBondContact OH-OD2 2.95Å
130S49.1Very low48.9Very low86 Ų86130.2 Ų130.260%0.60167%0.668SS**  trans-61.7116.9-171.962.20000109.8S128 F132S128-S130 PolarHBondContact O-N 2.9Å; S128-S130 VanDerWaalsContact O-N 3.09Å; S130-F132 PolarHBondContact O-N 2.83Å
131K51.2Low49.6Very low162 Ų162122.6 Ų122.670%0.70465%0.653SS**  trans-53.4126.3172.3-172.6173.6-178.9172.70109.4Y129 D133Y129-K131 PolarHBondContact O-N 3.43Å; K131-D133 PolarHBondContact O-N 3.21Å
132F54.5Low50.7Low150 Ų150121.9 Ų121.966%0.65864%0.643SS**  trans-72.494173.4-86.3-86.5000109.5S130 T134S130-F132 PolarHBondContact O-N 2.83Å; F132-T134 PolarHBondContact O-N 3.43Å; F132-T134 VanDerWaalsContact O-N 3.07Å; F132-T134 PolarHBondContact O-OG1 2.91Å
133D43.1Very low52.1Low136 Ų136125 Ų12573%0.72765%0.647SS**  trans-74.496.1170.7-79.3-27.1000109.7K131 K135K131-D133 PolarHBondContact O-N 3.21Å; D133-K135 PolarHBondContact O-N 2.83Å; D133-K135 VanDerWaalsContact O-N 3.13Å
134T52.2Low53.5Low86 Ų86120.2 Ų120.253%0.52862%0.623SS.*  trans-88.277.7-179.3-44.70000109.7F132F132-T134 PolarHBondContact O-N 3.43Å; F132-T134 VanDerWaalsContact O-N 3.07Å; F132-T134 PolarHBondContact O-OG1 2.91Å
135K51.7Low55.1Low209 Ų209117 Ų11791%0.90961%0.607SS**  trans-118.875.3161.6-74.5-174-178.61760109.5D133D133-K135 PolarHBondContact O-N 2.83Å; D133-K135 VanDerWaalsContact O-N 3.13Å
136S49.9Very low57.1Low61 Ų61119 Ų11943%0.42761%0.613SS.*  trans-120.2114.8160.580.80000109.7N138 K144S136-N138 PolarHBondContact O-N 3.47Å; S136-K144 PolarHBondContact O-NZ 3Å; S136-K144 WeakPolarHBondContact OG-CE 3.44Å; S136-K144 PolarHBondContact OG-NZ 3Å
137H58.6Low59.2Low189 Ų189113.2 Ų113.288%0.87559%0.588SS**SBendtrans-67.2126.9170.7-137.7-81.6000107.3
138N60.3Low60.9Low150 Ų150109.7 Ų109.780%0.80257%0.573SS**SBendtrans93.714.9156.5-129.936.8000123S136S136-N138 PolarHBondContact O-N 3.47Å
139D56.3Low62.9Low112 Ų112106.8 Ų106.860%0.59955%0.549SS*.SBendtrans-100.1135.3161.4-69.4-38.4000111.3A141 K144D139-A141 PolarHBondContact O-N 3.33Å; D139-K144 PolarHBondContact O-NZ 3Å
140D66.4Low64.8Low103 Ų103106.5 Ų106.555%0.55155%0.547SS*.  trans-41.7120.8-170-17010.8000113L142 L143 K144D140-L142 PolarHBondContact O-N 3.46Å; D140-L142 VanDerWaalsContact O-N 3.08Å; D140-L143 HydrophobicContact CB-CB 4.46Å; D140-L143 PolarHBondContact O-N 2.93Å; D140-K144 PolarHBondContact O-N 3.03Å
141A67.5Low66.7Low65 Ų65105 Ų10554%0.53754%0.536SS..Hα-helixtrans-56.9-29.3-17600000112.1D139 N145D139-A141 PolarHBondContact O-N 3.33Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å; A141-N145 PolarHBondContact O-N 2.92Å; A141-N145 PolarHBondContact O-ND2 2.79Å; A141-N145 VanDerWaalsContact O-ND2 3.14Å
142L68Low68.6Low126 Ų12698.6 Ų98.666%0.6651%0.508SS*.Hα-helixtrans-64.1-43.9174.5-71170.9000112.6D140 N145 Y146D140-L142 PolarHBondContact O-N 3.46Å; D140-L142 VanDerWaalsContact O-N 3.08Å; L142-N145 PolarHBondContact O-N 3.34Å; L142-Y146 WeakPolarHBondContact O-CB 3.32Å; L142-Y146 PolarHBondContact O-N 3.4Å
143L69.7Low70.3Confident120 Ų12099.3 Ų99.363%0.62851%0.507SS*.Hα-helixtrans-68.2-38.3-179.4-168.768.6000111.2D140 Y146 G147D140-L143 HydrophobicContact CB-CB 4.46Å; D140-L143 PolarHBondContact O-N 2.93Å; L143-Y146 PolarHBondContact O-N 3.48Å; L143-G147 PolarHBondContact O-N 2.87Å
144K70.8Confident72.8Confident61 Ų6197.7 Ų97.727%0.26549%0.493SS..Hα-helixtrans-64.1-43.8173.2-72.1176.6174.2165.10112S136 D139 D140 G147 L148S136-K144 PolarHBondContact O-NZ 3Å; S136-K144 WeakPolarHBondContact OG-CE 3.44Å; S136-K144 PolarHBondContact OG-NZ 3Å; D139-K144 PolarHBondContact O-NZ 3Å; D140-K144 PolarHBondContact O-N 3.03Å; K144-G147 PolarHBondContact O-N 2.99Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.34Å
145N75Confident74.8Confident48 Ų4894 Ų9426%0.25747%0.47SS..Hα-helixtrans-63.5-42.6176.2-71.9-21.5000111.8V82 A141 L142 L148 L149V82-N145 HydrophobicContact CG2-CB 4.32Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å; A141-N145 PolarHBondContact O-N 2.92Å; A141-N145 PolarHBondContact O-ND2 2.79Å; A141-N145 VanDerWaalsContact O-ND2 3.14Å; L142-N145 PolarHBondContact O-N 3.34Å; N145-L148 PolarHBondContact O-N 2.75Å; N145-L149 WeakPolarHBondContact O-CB 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.4Å; N145-L149 PolarHBondContact O-N 3.39Å
146Y79.1Confident76.9Confident152 Ų15285.8 Ų85.860%0.59644%0.436SS*.Hα-helixtrans-62.3-45.6174.9177.1-97.2000112L142 L143 L148 L149 Y150L142-Y146 WeakPolarHBondContact O-CB 3.32Å; L142-Y146 PolarHBondContact O-N 3.4Å; L143-Y146 PolarHBondContact O-N 3.48Å; Y146-L148 PolarHBondContact O-N 2.85Å; Y146-L149 PolarHBondContact O-N 3.17Å; Y146-Y150 WeakPolarHBondContact O-CB 3.32Å; Y146-Y150 PolarHBondContact O-N 2.86Å
147G82.7Confident79.1Confident29 Ų2987.5 Ų87.530%0.29944%0.44SS..Hα-helixtrans-59.5-45.4177.300000112.6L143 K144 Y150 C151L143-G147 PolarHBondContact O-N 2.87Å; K144-G147 PolarHBondContact O-N 2.99Å; G147-Y150 PolarHBondContact O-N 3.26Å; G147-C151 PolarHBondContact O-N 2.88Å; G147-C151 PolarHBondContact O-SG 3.25Å
148L82.8Confident80.9Confident39 Ų3982 Ų8220%0.20441%0.413CS..Hα-helixtrans-63.7-43.1176.2-75.5172.1000112.3W72 L79 K144 N145 Y146 Y150 C151 F152W72-L148 HydrophobicContact CH2-CD2 4.24Å; W72-L148 VanDerWaalsContact CH2-O 3.25Å; W72-L148 WeakPolarHBondContact CH2-O 3.43Å; W72-L148 HydrophobicContact CZ3-CD2 4.29Å; L79-L148 HydrophobicContact CD1-CB 4.15Å; L79-L148 HydrophobicContact CD2-CB 3.98Å; L79-L148 HydrophobicContact CD2-CD1 4.32Å; L79-L148 HydrophobicContact CG-CB 4.43Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.34Å; N145-L148 PolarHBondContact O-N 2.75Å; Y146-L148 PolarHBondContact O-N 2.85Å; L148-Y150 VanDerWaalsContact C-N 3.35Å; L148-Y150 PolarHBondContact O-N 3.49Å; L148-C151 PolarHBondContact O-N 3.43Å; L148-F152 WeakPolarHBondContact O-CB 3.42Å; L148-F152 PolarHBondContact O-N 3.34Å
149L84.2Confident82.7Confident52 Ų5275 Ų7527%0.27238%0.376SS..Hα-helixtrans-62.5-41.3175.6-76.5171.6000112.4L79 V82 F83 N145 Y146 F152 R153L79-L149 HydrophobicContact CD1-CD2 4.07Å; L79-L149 HydrophobicContact CD1-CG 4.43Å; L79-L149 HydrophobicContact CD2-CG 4.29Å; V82-L149 HydrophobicContact CG1-CD1 3.86Å; F83-L149 HydrophobicContact CD1-CD2 4.46Å; F83-L149 HydrophobicContact CE1-CD2 3.53Å; F83-L149 HydrophobicContact CE2-CD2 4.24Å; F83-L149 HydrophobicContact CZ-CD2 3.4Å; N145-L149 WeakPolarHBondContact O-CB 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.4Å; N145-L149 PolarHBondContact O-N 3.39Å; Y146-L149 PolarHBondContact O-N 3.17Å; L149-F152 PolarHBondContact O-N 2.94Å; L149-R153 WeakPolarHBondContact O-CB 3.37Å; L149-R153 PolarHBondContact O-N 2.9Å
150Y86.8Confident84.6Confident101 Ų10174.5 Ų74.540%0.39637%0.37SS..Hα-helixtrans-62.6-46.8177174-96.1000111.5Y146 G147 L148 R153 K154Y146-Y150 WeakPolarHBondContact O-CB 3.32Å; Y146-Y150 PolarHBondContact O-N 2.86Å; G147-Y150 PolarHBondContact O-N 3.26Å; L148-Y150 VanDerWaalsContact C-N 3.35Å; L148-Y150 PolarHBondContact O-N 3.49Å; Y150-R153 PolarHBondContact O-N 3.16Å; Y150-K154 HydrophobicContact CE1-CD 4.42Å; Y150-K154 WeakPolarHBondContact O-CB 3.44Å; Y150-K154 PolarHBondContact O-N 2.85Å
151C90.1Very high86.1Confident54 Ų5472.6 Ų72.637%0.36536%0.362SS..Hα-helixtrans-63.4-44176.5-68.60000111.3W72 G147 L148 R153 K154 D155W72-C151 HydrophobicContact CH2-CB 3.77Å; W72-C151 VanDerWaalsContact CZ2-C 3.47Å; W72-C151 HydrophobicContact CZ2-CB 3.65Å; G147-C151 PolarHBondContact O-N 2.88Å; G147-C151 PolarHBondContact O-SG 3.25Å; L148-C151 PolarHBondContact O-N 3.43Å; C151-R153 PolarHBondContact O-N 3.48Å; C151-K154 PolarHBondContact O-N 3.17Å; C151-D155 WeakPolarHBondContact O-CB 3.38Å; C151-D155 PolarHBondContact O-N 3.38Å
152F90Very high87.5Confident27 Ų2771.7 Ų71.712%0.11835%0.346CS..Hα-helixtrans-56.5-51.9176.5179.5-106.2000110.8W72 F83 V96 L100 L148 L149 K154 D155 M156W72-F152 HydrophobicContact CB-CD2 4.29Å; W72-F152 HydrophobicContact CB-CE2 4.32Å; W72-F152 HydrophobicContact CD2-CB 4.35Å; W72-F152 AromaticContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CE2 4.5Å; W72-F152 HydrophobicContact CD2-CG 4.5Å; W72-F152 HydrophobicContact CE3-CB 4.08Å; W72-F152 AromaticContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CG 4.32Å; W72-F152 AromaticContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CE2 4.35Å; W72-F152 HydrophobicContact CH2-CB 3.83Å; W72-F152 VanDerWaalsContact CZ2-CA 3.49Å; W72-F152 HydrophobicContact CZ2-CB 4.09Å; W72-F152 VanDerWaalsContact CZ2-N 3.25Å; W72-F152 HydrophobicContact CZ3-CB 3.82Å; W72-F152 HydrophobicContact CZ3-CD2 4.26Å; F83-F152 HydrophobicContact CZ-CD1 4.33Å; F83-F152 HydrophobicContact CZ-CE1 4.44Å; V96-F152 HydrophobicContact CG1-CE1 4.08Å; V96-F152 HydrophobicContact CG1-CE2 4.4Å; V96-F152 HydrophobicContact CG1-CZ 3.57Å; L100-F152 HydrophobicContact CD1-CE2 4.01Å; L100-F152 HydrophobicContact CD2-CE2 4.09Å; L100-F152 HydrophobicContact CD2-CZ 4.34Å; L148-F152 WeakPolarHBondContact O-CB 3.42Å; L148-F152 PolarHBondContact O-N 3.34Å; L149-F152 PolarHBondContact O-N 2.94Å; F152-K154 VanDerWaalsContact C-N 3.32Å; F152-K154 PolarHBondContact O-N 2.82Å; F152-D155 PolarHBondContact O-N 2.88Å; F152-M156 HydrophobicContact CD1-CG 4.29Å; F152-M156 HydrophobicContact CD2-CE 4.31Å; F152-M156 HydrophobicContact CD2-CG 4.14Å; F152-M156 HydrophobicContact CE1-CG 3.91Å; F152-M156 HydrophobicContact CE2-CE 4.06Å; F152-M156 HydrophobicContact CE2-CG 3.75Å; F152-M156 HydrophobicContact CE2-SD 3.88Å; F152-M156 HydrophobicContact CG-CG 4.4Å; F152-M156 HydrophobicContact CZ-CG 3.62Å; F152-M156 HydrophobicContact CZ-SD 4.05Å; F152-M156 VanDerWaalsContact O-CG 3.28Å; F152-M156 WeakPolarHBondContact O-CG 3.45Å; F152-M156 PolarHBondContact O-N 3.05Å
153R91.9Very high88.8Confident166 Ų16667.5 Ų67.563%0.62632%0.324SS*.Hα-helixtrans-56.1-46.5177-176.2-175.668.1166.41.8111.9L149 Y150 C151 M156 D157L149-R153 WeakPolarHBondContact O-CB 3.37Å; L149-R153 PolarHBondContact O-N 2.9Å; Y150-R153 PolarHBondContact O-N 3.16Å; C151-R153 PolarHBondContact O-N 3.48Å; R153-M156 PolarHBondContact O-N 3.16Å; R153-D157 WeakPolarHBondContact O-CB 3.21Å; R153-D157 PolarHBondContact O-N 2.96Å
154K94.8Very high90Very high102 Ų10268.5 Ų68.544%0.44332%0.32SS..Hα-helixtrans-65.2-39.4-178.3-176.2177179.7177.70112.2Y150 C151 F152 K158Y150-K154 HydrophobicContact CE1-CD 4.42Å; Y150-K154 WeakPolarHBondContact O-CB 3.44Å; Y150-K154 PolarHBondContact O-N 2.85Å; C151-K154 PolarHBondContact O-N 3.17Å; F152-K154 VanDerWaalsContact C-N 3.32Å; F152-K154 PolarHBondContact O-N 2.82Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.92Å
155D94.9Very high91Very high8 Ų868 Ų684%0.04332%0.319CS..Hα-helixtrans-75.2-35.6179.4-71.6-20.1000111.4L68 W72 Y129 C151 F152 K158 V159L68-D155 HydrophobicContact CD2-CB 4.22Å; W72-D155 PolarHBondContact NE1-OD2 3.43Å; Y129-D155 PolarHBondContact OH-OD2 2.95Å; C151-D155 WeakPolarHBondContact O-CB 3.38Å; C151-D155 PolarHBondContact O-N 3.38Å; F152-D155 PolarHBondContact O-N 2.88Å; D155-K158 WeakPolarHBondContact O-CB 3.35Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 IonicContact OD1-NZ 2.71Å; D155-K158 PolarHBondContact OD1-NZ 3.13Å; D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.2Å
156M95.7Very high91.8Very high37 Ų3766 Ų6618%0.18231%0.309CS..Hα-helixtrans-66.2-37.2173.2-65.1-50.59800112.3I69 W72 L100 F152 R153 K158 V159 E160I69-M156 HydrophobicContact CD1-CE 3.93Å; I69-M156 HydrophobicContact CD1-SD 3.75Å; W72-M156 HydrophobicContact CG-CE 4.26Å; L100-M156 HydrophobicContact CD2-CE 4.33Å; L100-M156 HydrophobicContact CD2-SD 3.66Å; F152-M156 HydrophobicContact CD1-CG 4.29Å; F152-M156 HydrophobicContact CD2-CE 4.31Å; F152-M156 HydrophobicContact CD2-CG 4.14Å; F152-M156 HydrophobicContact CE1-CG 3.91Å; F152-M156 HydrophobicContact CE2-CE 4.06Å; F152-M156 HydrophobicContact CE2-CG 3.75Å; F152-M156 HydrophobicContact CE2-SD 3.88Å; F152-M156 HydrophobicContact CG-CG 4.4Å; F152-M156 HydrophobicContact CZ-CG 3.62Å; F152-M156 HydrophobicContact CZ-SD 4.05Å; F152-M156 VanDerWaalsContact O-CG 3.28Å; F152-M156 WeakPolarHBondContact O-CG 3.45Å; F152-M156 PolarHBondContact O-N 3.05Å; R153-M156 PolarHBondContact O-N 3.16Å; M156-K158 VanDerWaalsContact C-N 3.32Å; M156-K158 PolarHBondContact O-N 3.1Å; M156-V159 HydrophobicContact CE-CG2 4.46Å; M156-V159 PolarHBondContact O-N 3.26Å; M156-E160 PolarHBondContact O-N 2.8Å
157D96.5Very high92.3Very high97 Ų9764 Ų6452%0.51931%0.305SS..Hα-helixtrans-60.1-40.2172.8177.876.4000112.2R153 T161R153-D157 WeakPolarHBondContact O-CB 3.21Å; R153-D157 PolarHBondContact O-N 2.96Å; D157-T161 WeakPolarHBondContact O-CB 3.27Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.18Å
158K96.5Very high92.5Very high72 Ų7264.6 Ų64.631%0.31330%0.304SS..Hα-helixtrans-65-45.8172.1-69.3172.9-168.8156.30112.2L68 K154 D155 M156 E160 T161 F162L68-K158 HydrophobicContact CD1-CB 4.34Å; L68-K158 HydrophobicContact CD1-CD 4.46Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.92Å; D155-K158 WeakPolarHBondContact O-CB 3.35Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 IonicContact OD1-NZ 2.71Å; D155-K158 PolarHBondContact OD1-NZ 3.13Å; M156-K158 VanDerWaalsContact C-N 3.32Å; M156-K158 PolarHBondContact O-N 3.1Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.02Å; K158-T161 WeakPolarHBondContact O-CB 3.49Å; K158-T161 PolarHBondContact O-N 3.33Å; K158-F162 HydrophobicContact CB-CE2 4.33Å; K158-F162 VanDerWaalsContact O-CG 3.28Å; K158-F162 WeakPolarHBondContact O-CG 3.36Å; K158-F162 PolarHBondContact O-N 2.97Å
159V97.7Very high92.6Very high3 Ų367 Ų672%0.01831%0.311CS..Hα-helixtrans-58.7-47179171.60000110L68 I69 L103 D155 M156 T161 F162 L163L68-V159 HydrophobicContact CB-CG2 3.87Å; L68-V159 HydrophobicContact CD1-CG2 3.88Å; I69-V159 HydrophobicContact CD1-CG1 4.23Å; I69-V159 HydrophobicContact CD1-CG2 4.24Å; I69-V159 HydrophobicContact CG1-CG1 4.37Å; I69-V159 HydrophobicContact CG1-CG2 4.34Å; L103-V159 HydrophobicContact CD2-CG1 4.12Å; D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.2Å; M156-V159 HydrophobicContact CE-CG2 4.46Å; M156-V159 PolarHBondContact O-N 3.26Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.47Å; V159-F162 PolarHBondContact O-N 3.38Å; V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.29Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.45Å
160E96.4Very high92.5Very high103 Ų10367 Ų6748%0.48131%0.314SS..Hα-helixtrans-57.2-47.9175.3-171-167155.500111.2M156 K158 F162 L163 R164M156-E160 PolarHBondContact O-N 2.8Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.02Å; E160-F162 PolarHBondContact O-N 2.86Å; E160-L163 PolarHBondContact O-N 2.99Å; E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 IonicContact OE1-CZ 3.81Å; E160-R164 IonicContact OE1-NE 2.93Å; E160-R164 IonicContact OE1-NH2 2.81Å; E160-R164 PolarHBondContact OE1-NH2 3.03Å
161T96.6Very high92.2Very high62 Ų6265.9 Ų65.938%0.3832%0.318SS..Hα-helixtrans-59.6-46.2179.9-62.60000111.8D157 K158 V159 R164 I165D157-T161 WeakPolarHBondContact O-CB 3.27Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.18Å; K158-T161 WeakPolarHBondContact O-CB 3.49Å; K158-T161 PolarHBondContact O-N 3.33Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.47Å; T161-R164 PolarHBondContact O-N 3.09Å; T161-I165 HydrophobicContact CG2-CD1 4.01Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.78Å
162F96.4Very high91.4Very high47 Ų4772.9 Ų72.921%0.20635%0.346CS..Hα-helixtrans-65.2-43179.1-66.5-18.3000112.1L61 I64 S65 K158 V159 E160 R164 I165 V166L61-F162 HydrophobicContact CB-CB 4.32Å; L61-F162 HydrophobicContact CD2-CB 4.41Å; L61-F162 HydrophobicContact CD2-CD1 3.74Å; L61-F162 HydrophobicContact CD2-CD2 4.43Å; L61-F162 HydrophobicContact CD2-CE1 4.03Å; L61-F162 HydrophobicContact CD2-CG 3.95Å; I64-F162 HydrophobicContact CB-CE2 4.43Å; I64-F162 HydrophobicContact CG2-CD2 4.25Å; I64-F162 HydrophobicContact CG2-CE2 3.69Å; S65-F162 WeakPolarHBondContact OG-CB 3.47Å; K158-F162 HydrophobicContact CB-CE2 4.33Å; K158-F162 VanDerWaalsContact O-CG 3.28Å; K158-F162 WeakPolarHBondContact O-CG 3.36Å; K158-F162 PolarHBondContact O-N 2.97Å; V159-F162 PolarHBondContact O-N 3.38Å; E160-F162 PolarHBondContact O-N 2.86Å; F162-R164 VanDerWaalsContact C-N 3.34Å; F162-R164 PolarHBondContact O-N 2.95Å; F162-I165 PolarHBondContact O-N 2.98Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.47Å
163L95.9Very high90.4Very high38 Ų3875.4 Ų75.420%0.19938%0.379CS..Hα-helixtrans-63.6-40.8176-67.5173.4000111.9L62 L103 I107 V159 E160 I165 V166 Q167L62-L163 HydrophobicContact CD2-CD2 3.56Å; L103-L163 HydrophobicContact CD1-CD1 3.93Å; I107-L163 HydrophobicContact CD1-CD1 4.44Å; I107-L163 HydrophobicContact CD1-CD2 4.31Å; I107-L163 HydrophobicContact CG1-CD2 3.97Å; V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.29Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.45Å; E160-L163 PolarHBondContact O-N 2.99Å; L163-I165 VanDerWaalsContact C-N 3.35Å; L163-I165 PolarHBondContact O-N 3.39Å; L163-V166 PolarHBondContact O-N 2.85Å; L163-Q167 WeakPolarHBondContact O-CB 3.32Å; L163-Q167 PolarHBondContact O-N 2.94Å
164R94.2Very high89.5Confident140 Ų14069.5 Ų69.553%0.52836%0.363SS..Hα-helixtrans-61.5-44174.9-172.2-178-65.4-99.72.7111.1E160 T161 F162 Q167 C168E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 IonicContact OE1-CZ 3.81Å; E160-R164 IonicContact OE1-NE 2.93Å; E160-R164 IonicContact OE1-NH2 2.81Å; E160-R164 PolarHBondContact OE1-NH2 3.03Å; T161-R164 PolarHBondContact O-N 3.09Å; F162-R164 VanDerWaalsContact C-N 3.34Å; F162-R164 PolarHBondContact O-N 2.95Å; R164-Q167 PolarHBondContact O-N 2.87Å; R164-C168 WeakPolarHBondContact O-CB 3.47Å; R164-C168 PolarHBondContact O-N 3.41Å; R164-C168 PolarHBondContact O-SG 3.4Å
165I92Very high88.6Confident51 Ų5166.2 Ų66.226%0.26235%0.353SS..Hα-helixtrans-58.8-50.3175.2-70.3165.6000110.2L61 T161 F162 L163 Q167 C168 R169L61-I165 HydrophobicContact CD1-CB 4.06Å; L61-I165 HydrophobicContact CD1-CG2 3.58Å; T161-I165 HydrophobicContact CG2-CD1 4.01Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.78Å; F162-I165 PolarHBondContact O-N 2.98Å; L163-I165 VanDerWaalsContact C-N 3.35Å; L163-I165 PolarHBondContact O-N 3.39Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.25Å; I165-C168 PolarHBondContact O-N 3.36Å; I165-R169 HydrophobicContact CG2-CG 4.46Å; I165-R169 VanDerWaalsContact O-CB 3.3Å; I165-R169 WeakPolarHBondContact O-CB 3.48Å; I165-R169 WeakPolarHBondContact O-CD 3.4Å; I165-R169 WeakPolarHBondContact O-CG 3.36Å; I165-R169 PolarHBondContact O-N 2.84Å
166V92Very high86.7Confident7 Ų770 Ų704%0.04239%0.393CS..Hα-helixtrans-62-42.1179.3174.50000111.2N58 L61 L62 L114 F162 L163 R169 S170N58-V166 HydrophobicContact CB-CG1 4.41Å; N58-V166 HydrophobicContact CB-CG2 4.28Å; L61-V166 HydrophobicContact CB-CG2 3.83Å; L61-V166 HydrophobicContact CD1-CG2 4Å; L62-V166 HydrophobicContact CD1-CG1 4.27Å; L62-V166 HydrophobicContact CD2-CB 4.33Å; L62-V166 HydrophobicContact CD2-CG1 4.14Å; L62-V166 HydrophobicContact CD2-CG2 4.15Å; L62-V166 HydrophobicContact CG-CG1 4.22Å; L62-V166 HydrophobicContact CG-CG2 4.17Å; L114-V166 HydrophobicContact CD1-CG1 4.01Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.47Å; L163-V166 PolarHBondContact O-N 2.85Å; V166-R169 PolarHBondContact O-N 3.42Å; V166-S170 WeakPolarHBondContact O-CB 3.32Å; V166-S170 PolarHBondContact O-N 2.85Å; V166-S170 PolarHBondContact O-OG 2.92Å; V166-S170 VanDerWaalsContact O-OG 3.14Å
167Q89.9Confident84.6Confident110 Ų11080.5 Ų80.551%0.51444%0.439SS..Hα-helixtrans-58.6-53.3176.5-177-178.127.400111.7L163 R164 I165 R169 S170 V171 S174L163-Q167 WeakPolarHBondContact O-CB 3.32Å; L163-Q167 PolarHBondContact O-N 2.94Å; R164-Q167 PolarHBondContact O-N 2.87Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.25Å; Q167-R169 PolarHBondContact O-N 2.87Å; Q167-R169 VanDerWaalsContact O-N 3.07Å; Q167-S170 PolarHBondContact O-N 3.28Å; Q167-V171 PolarHBondContact O-N 2.89Å; Q167-S174 PolarHBondContact O-OG 2.88Å
168C86.8Confident84Confident41 Ų4179.7 Ų79.728%0.27744%0.435SS..Hα-helixtrans-53.8-31.3177.9-66.70000112.9R164 I165 S174 C175R164-C168 WeakPolarHBondContact O-CB 3.47Å; R164-C168 PolarHBondContact O-N 3.41Å; R164-C168 PolarHBondContact O-SG 3.4Å; I165-C168 PolarHBondContact O-N 3.36Å; C168-S174 VanDerWaalsContact CA-OG 3.28Å; C168-S174 WeakPolarHBondContact CA-OG 3.31Å; C168-C175 WeakPolarHBondContact CA-SG 3.46Å; C168-C175 HydrophobicContact CB-CB 3.56Å; C168-C175 WeakPolarHBondContact CB-SG 3.48Å; C168-C175 WeakPolarHBondContact SG-CB 3.36Å; C168-C175 CovalentContact SG-SG 2.01Å; C168-C175 PolarHBondContact SG-SG 3.21Å
169R84.9Confident83.3Confident90 Ų9080.1 Ų80.134%0.3444%0.441SS..Hα-helixtrans-93-27-171.3-73.2-174.7178.6177.33.5113.8Y54 N58 I165 V166 Q167Y54-R169 HydrophobicContact CE1-CB 4.07Å; Y54-R169 HydrophobicContact CE2-CG 4.22Å; Y54-R169 WeakPolarHBondContact OH-CA 3.35Å; Y54-R169 WeakPolarHBondContact OH-CB 3.27Å; Y54-R169 WeakPolarHBondContact OH-CD 3.36Å; Y54-R169 WeakPolarHBondContact OH-CG 3.22Å; Y54-R169 PolarHBondContact OH-O 3.46Å; N58-R169 VanDerWaalsContact OD1-CD 3.3Å; N58-R169 WeakPolarHBondContact OD1-CD 3.48Å; I165-R169 HydrophobicContact CG2-CG 4.46Å; I165-R169 VanDerWaalsContact O-CB 3.3Å; I165-R169 WeakPolarHBondContact O-CB 3.48Å; I165-R169 WeakPolarHBondContact O-CD 3.4Å; I165-R169 WeakPolarHBondContact O-CG 3.36Å; I165-R169 PolarHBondContact O-N 2.84Å; V166-R169 PolarHBondContact O-N 3.42Å; Q167-R169 PolarHBondContact O-N 2.87Å; Q167-R169 VanDerWaalsContact O-N 3.07Å
170S82.8Confident82.5Confident50 Ų5084.4 Ų84.435%0.3547%0.465SS..Hα-helixtrans-102.8-18-176.5-60.20000113.3V166 Q167V166-S170 WeakPolarHBondContact O-CB 3.32Å; V166-S170 PolarHBondContact O-N 2.85Å; V166-S170 PolarHBondContact O-OG 2.92Å; V166-S170 VanDerWaalsContact O-OG 3.14Å; Q167-S170 PolarHBondContact O-N 3.28Å
171V80.9Confident81.7Confident79 Ų7983.3 Ų83.348%0.47946%0.464SS..SBendtrans-118116.1-179.2-176.10000110.1Q167 G173 S174Q167-V171 PolarHBondContact O-N 2.89Å; V171-G173 PolarHBondContact O-N 3.05Å; V171-S174 VanDerWaalsContact O-CB 3.31Å; V171-S174 WeakPolarHBondContact O-CB 3.35Å; V171-S174 PolarHBondContact O-N 3.49Å; V171-S174 PolarHBondContact O-OG 3.4Å
172E72.4Confident80.8Confident201 Ų20184.6 Ų84.694%0.93947%0.469SS*.THydrogen-bonded Turntrans-61.2132.2178.6-165.7168.1-163.400111.1S174E172-S174 PolarHBondContact O-N 3.17Å
173G69.1Low79.7Confident79 Ų7987.1 Ų87.181%0.81449%0.486SS*.THydrogen-bonded Turntrans71.44.3-178.700000115.8V171 C175V171-G173 PolarHBondContact O-N 3.05Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 3.41Å
174S72.1Confident78.6Confident42 Ų4290.6 Ų90.629%0.29451%0.507SS..SBendtrans-73.1-22.4-179.363.20000114.1Q167 C168 V171 E172Q167-S174 PolarHBondContact O-OG 2.88Å; C168-S174 VanDerWaalsContact CA-OG 3.28Å; C168-S174 WeakPolarHBondContact CA-OG 3.31Å; V171-S174 VanDerWaalsContact O-CB 3.31Å; V171-S174 WeakPolarHBondContact O-CB 3.35Å; V171-S174 PolarHBondContact O-N 3.49Å; V171-S174 PolarHBondContact O-OG 3.4Å; E172-S174 PolarHBondContact O-N 3.17Å
175C76Confident77.4Confident33 Ų3386.8 Ų86.822%0.22351%0.505CS..SBendtrans-131.9131176.2-63.40000108.9C168 G173 F177C168-C175 WeakPolarHBondContact CA-SG 3.46Å; C168-C175 HydrophobicContact CB-CB 3.56Å; C168-C175 WeakPolarHBondContact CB-SG 3.48Å; C168-C175 WeakPolarHBondContact SG-CB 3.36Å; C168-C175 CovalentContact SG-SG 2.01Å; C168-C175 PolarHBondContact SG-SG 3.21Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 3.41Å; C175-F177 PolarHBondContact O-N 3.09Å
176G56Low76.1Confident87 Ų8789.8 Ų89.890%0.89753%0.525SS*.  trans-61.6106-174.100000111.7
177F50.9Low74.7Confident259 Ų25997.4 Ų97.4100%1.13657%0.569SS**  trans-125.70162.4-72.6-74.2000108.3C175C175-F177 PolarHBondContact O-N 3.09Å

Retrieved 177 of 177 residues in 887.5 ms (Link to these results)