A0A3Q0KM90_SCHMA Loading...

[heparan sulfate]-glucosamine N-sulfotransferase

AlphaFold DB , UniProt , Accession A0A3Q0KM90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,028 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
1M67.1Low83.1Confident214 Ų214144.8 Ų144.8100%1.05467%0.668SS**  0-49.90-92168.468.900113.9L3 K4 L5M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.14Å; M1-K4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 3.23Å
2H76.3Confident83.5Confident153 Ų153139.4 Ų139.471%0.70865%0.653SS**Hα-helixtrans-55.2-37.2-177.2-83.3-74.4000115.7L5 R6H2-L5 PolarHBondContact O-N 2.79Å; H2-R6 PolarHBondContact O-N 3.47Å
3L78.9Confident83.9Confident131 Ų131134.5 Ų134.569%0.68663%0.633SS**Hα-helixtrans-66.1-40.7178.5-16967.4000112.6M1 L5 R6 I7M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.14Å; L3-L5 VanDerWaalsContact C-N 3.28Å; L3-L5 PolarHBondContact O-N 2.88Å; L3-R6 PolarHBondContact O-N 2.96Å; L3-I7 HydrophobicContact CG-CD1 4.11Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.02Å
4K83.7Confident84.2Confident170 Ų170132.4 Ų132.474%0.73963%0.626SS**Hα-helixtrans-62.6-35.7174.6-79-173.7175.3-179.70111.8M1 R8M1-K4 PolarHBondContact O-N 3.36Å; K4-R8 WeakPolarHBondContact O-CG 3.16Å; K4-R8 PolarHBondContact O-N 2.94Å; K4-R8 VanDerWaalsContact O-N 3.11Å
5L85.2Confident84.4Confident122 Ų122129.7 Ų129.764%0.63962%0.617SS**Hα-helixtrans-69.3-43177.4-141.186.9000111.7M1 H2 L3 R8 F9M1-L5 PolarHBondContact O-N 3.23Å; H2-L5 PolarHBondContact O-N 2.79Å; L3-L5 VanDerWaalsContact C-N 3.28Å; L3-L5 PolarHBondContact O-N 2.88Å; L5-R8 PolarHBondContact O-N 3.47Å; L5-F9 PolarHBondContact O-N 3.27Å
6R85.6Confident84.5Confident187 Ų187126.8 Ų126.871%0.70661%0.61SS**Hα-helixtrans-64.5-42.2177.1-73.5-176.9178.3178.20.1112.5H2 L3 F9 L10H2-R6 PolarHBondContact O-N 3.47Å; L3-R6 PolarHBondContact O-N 2.96Å; R6-F9 PolarHBondContact O-N 3.2Å; R6-L10 PolarHBondContact O-N 2.89Å
7I87.3Confident84.6Confident90 Ų90124.7 Ų124.746%0.46260%0.602SS.*Hα-helixtrans-62.7-44.9176-68.4168.7000110.4L3 F9 L10 I11L3-I7 HydrophobicContact CG-CD1 4.11Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.02Å; I7-F9 PolarHBondContact O-N 2.91Å; I7-L10 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CD1 3.68Å; I7-I11 HydrophobicContact CG2-CG1 4.39Å; I7-I11 WeakPolarHBondContact O-CB 2.95Å; I7-I11 VanDerWaalsContact O-CG1 3.25Å; I7-I11 WeakPolarHBondContact O-CG1 3.09Å; I7-I11 PolarHBondContact O-N 3.22Å
8R85.6Confident84.4Confident186 Ų186121.1 Ų121.170%0.70259%0.592SS**Hα-helixtrans-59.5-46174.9-79.3-177.4175.7-176.6-1.9111.7K4 L5 L10 I11 T12K4-R8 WeakPolarHBondContact O-CG 3.16Å; K4-R8 PolarHBondContact O-N 2.94Å; K4-R8 VanDerWaalsContact O-N 3.11Å; L5-R8 PolarHBondContact O-N 3.47Å; R8-L10 PolarHBondContact O-N 3.47Å; R8-I11 PolarHBondContact O-N 3.46Å; R8-T12 PolarHBondContact O-N 2.71Å; R8-T12 PolarHBondContact O-OG1 2.92Å
9F87.5Confident84.2Confident142 Ų142120.3 Ų120.362%0.62359%0.589SS**Hα-helixtrans-61.3-42178.8-166.3-105.1000112.6L5 R6 I7 T12 I13L5-F9 PolarHBondContact O-N 3.27Å; R6-F9 PolarHBondContact O-N 3.2Å; I7-F9 PolarHBondContact O-N 2.91Å; F9-T12 PolarHBondContact O-N 3.14Å; F9-I13 HydrophobicContact CD1-CD1 3.62Å; F9-I13 HydrophobicContact CD1-CG1 4.43Å; F9-I13 HydrophobicContact CE1-CD1 3.33Å; F9-I13 HydrophobicContact CE1-CG1 4.26Å; F9-I13 HydrophobicContact CZ-CD1 4.03Å; F9-I13 WeakPolarHBondContact O-CG1 3.01Å; F9-I13 PolarHBondContact O-N 2.83Å
10L88.3Confident84Confident109 Ų109116.9 Ų116.957%0.57158%0.578SS**Hα-helixtrans-64.9-42.4176.9-151.195.5000111.8R6 I7 R8 T12 I13 L14R6-L10 PolarHBondContact O-N 2.89Å; I7-L10 PolarHBondContact O-N 3.22Å; R8-L10 PolarHBondContact O-N 3.47Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.1Å; L10-I13 PolarHBondContact O-N 2.68Å; L10-L14 HydrophobicContact CD2-CD1 4.27Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.28Å
11I89Confident83.7Confident89 Ų89116.4 Ų116.446%0.45658%0.577SS.*Hα-helixtrans-61.9-42175-69.2168.1000110.4I7 R8 L14 L15I7-I11 HydrophobicContact CG2-CD1 3.68Å; I7-I11 HydrophobicContact CG2-CG1 4.39Å; I7-I11 WeakPolarHBondContact O-CB 2.95Å; I7-I11 VanDerWaalsContact O-CG1 3.25Å; I7-I11 WeakPolarHBondContact O-CG1 3.09Å; I7-I11 PolarHBondContact O-N 3.22Å; R8-I11 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 2.9Å; I11-L15 HydrophobicContact CG2-CD1 3.88Å; I11-L15 WeakPolarHBondContact O-CB 3.02Å; I11-L15 PolarHBondContact O-N 3.01Å
12T87.9Confident84.1Confident80 Ų80108.8 Ų108.849%0.49155%0.547SS..Hα-helixtrans-64-43.2176.7-440000111.6R8 F9 L10 L15 V16R8-T12 PolarHBondContact O-N 2.71Å; R8-T12 PolarHBondContact O-OG1 2.92Å; F9-T12 PolarHBondContact O-N 3.14Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.1Å; T12-L15 PolarHBondContact O-N 3.42Å; T12-V16 VanDerWaalsContact O-CG2 3.28Å; T12-V16 WeakPolarHBondContact O-CG2 3.45Å; T12-V16 PolarHBondContact O-N 3.19Å
13I88.8Confident84.2Confident76 Ų76107.7 Ų107.739%0.3954%0.541SS..Hα-helixtrans-62-45.5176.1-73.1171.1000111F9 L10 L15 V16 L17F9-I13 HydrophobicContact CD1-CD1 3.62Å; F9-I13 HydrophobicContact CD1-CG1 4.43Å; F9-I13 HydrophobicContact CE1-CD1 3.33Å; F9-I13 HydrophobicContact CE1-CG1 4.26Å; F9-I13 HydrophobicContact CZ-CD1 4.03Å; F9-I13 WeakPolarHBondContact O-CG1 3.01Å; F9-I13 PolarHBondContact O-N 2.83Å; L10-I13 PolarHBondContact O-N 2.68Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-V16 PolarHBondContact O-N 2.86Å; I13-L17 HydrophobicContact CG2-CD1 3.84Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 PolarHBondContact O-N 3.09Å
14L88.1Confident83.9Confident104 Ų104105.9 Ų105.955%0.54553%0.531SS..Hα-helixtrans-64.3-37.1178.5-74.6167.9000111.9L10 I11 S18L10-L14 HydrophobicContact CD2-CD1 4.27Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.28Å; I11-L14 PolarHBondContact O-N 2.9Å; L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 2.85Å; L14-S18 PolarHBondContact O-OG 3.26Å
15L87.2Confident82.7Confident93 Ų93105.1 Ų105.149%0.48752%0.523SS..Hα-helixtrans-66.6-42.8172.5-85.8162.8000112.2I11 T12 I13 L17 S18 I19I11-L15 HydrophobicContact CG2-CD1 3.88Å; I11-L15 WeakPolarHBondContact O-CB 3.02Å; I11-L15 PolarHBondContact O-N 3.01Å; T12-L15 PolarHBondContact O-N 3.42Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-S18 PolarHBondContact O-N 2.68Å; L15-S18 PolarHBondContact O-OG 2.98Å; L15-S18 VanDerWaalsContact O-OG 3.04Å; L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 WeakPolarHBondContact O-CD1 3.44Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.94Å
16V86.1Confident81.6Confident83 Ų83108.1 Ų108.150%0.50353%0.526SS..Hα-helixtrans-65.4-40.5177.1171.40000110.8T12 I13 S20T12-V16 VanDerWaalsContact O-CG2 3.28Å; T12-V16 WeakPolarHBondContact O-CG2 3.45Å; T12-V16 PolarHBondContact O-N 3.19Å; I13-V16 PolarHBondContact O-N 2.86Å; V16-S20 VanDerWaalsContact O-CB 3.27Å; V16-S20 WeakPolarHBondContact O-CB 3.45Å; V16-S20 PolarHBondContact O-N 3.15Å; V16-S20 PolarHBondContact O-OG 3.05Å
17L85.2Confident80.3Confident91 Ų91103.3 Ų103.348%0.47651%0.514SS..Hα-helixtrans-65.7-42.6174.3-86.2160.9000111.8I13 L15 S20 I21I13-L17 HydrophobicContact CG2-CD1 3.84Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 PolarHBondContact O-N 3.09Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L17-S20 PolarHBondContact O-N 3.46Å; L17-I21 WeakPolarHBondContact O-CB 3.15Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.1Å; L17-I21 PolarHBondContact O-N 3.11Å
18S81Confident78.4Confident59 Ų59103.3 Ų103.341%0.41351%0.512SS..Hα-helixtrans-67-39.6177.978.80000111.7L14 L15 I21 A22L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 2.85Å; L14-S18 PolarHBondContact O-OG 3.26Å; L15-S18 PolarHBondContact O-N 2.68Å; L15-S18 PolarHBondContact O-OG 2.98Å; L15-S18 VanDerWaalsContact O-OG 3.04Å; S18-I21 PolarHBondContact O-N 3.21Å; S18-A22 WeakPolarHBondContact O-CB 3.19Å; S18-A22 PolarHBondContact O-N 2.72Å
19I81.2Confident76.3Confident106 Ų10699.9 Ų99.954%0.54450%0.502SS..Hα-helixtrans-65.4-41.1173.3-67.7165000110.2L15 A22 F23L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 WeakPolarHBondContact O-CD1 3.44Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.94Å; I19-A22 PolarHBondContact O-N 3.09Å; I19-F23 WeakPolarHBondContact O-CB 3.35Å; I19-F23 PolarHBondContact O-N 2.73Å
20S79.7Confident74.1Confident52 Ų5297.4 Ų97.436%0.36450%0.495SS..Hα-helixtrans-66.4-43.7177.9-60.70000111.6V16 L17 F23 I24V16-S20 VanDerWaalsContact O-CB 3.27Å; V16-S20 WeakPolarHBondContact O-CB 3.45Å; V16-S20 PolarHBondContact O-N 3.15Å; V16-S20 PolarHBondContact O-OG 3.05Å; L17-S20 PolarHBondContact O-N 3.46Å; S20-F23 PolarHBondContact O-N 2.81Å; S20-I24 WeakPolarHBondContact O-CB 3.48Å; S20-I24 WeakPolarHBondContact O-CD1 3.48Å; S20-I24 WeakPolarHBondContact O-CG1 3.47Å; S20-I24 PolarHBondContact O-N 3.17Å
21I78.7Confident71.7Confident108 Ų108101 Ų10155%0.55451%0.506SS*.Hα-helixtrans-65.3-44.9175.1-68165.4000110.1L17 S18 F23 I24 W25L17-I21 WeakPolarHBondContact O-CB 3.15Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.1Å; L17-I21 PolarHBondContact O-N 3.11Å; S18-I21 PolarHBondContact O-N 3.21Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.35Å; I21-I24 PolarHBondContact O-N 2.87Å; I21-W25 WeakPolarHBondContact O-CB 3.23Å; I21-W25 PolarHBondContact O-N 2.8Å
22A74.9Confident69.2Low53 Ų53104.5 Ų104.544%0.43852%0.515SS..Hα-helixtrans-63.9-37176.200000111.5S18 I19 W25 R26S18-A22 WeakPolarHBondContact O-CB 3.19Å; S18-A22 PolarHBondContact O-N 2.72Å; I19-A22 PolarHBondContact O-N 3.09Å; A22-W25 PolarHBondContact O-N 3.32Å; A22-R26 WeakPolarHBondContact O-CA 3.39Å; A22-R26 WeakPolarHBondContact O-CB 3.2Å; A22-R26 PolarHBondContact O-N 3.04Å
23F77.9Confident66.6Low130 Ų130104.5 Ų104.557%0.5752%0.515SS*.Hα-helixtrans-70.6-42.4176.7-170.8-105.2000111.5I19 S20 I21 R26 L27I19-F23 WeakPolarHBondContact O-CB 3.35Å; I19-F23 PolarHBondContact O-N 2.73Å; S20-F23 PolarHBondContact O-N 2.81Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.35Å; F23-R26 PolarHBondContact O-N 2.78Å; F23-L27 HydrophobicContact CD1-CD1 3.52Å; F23-L27 HydrophobicContact CD1-CG 4.43Å; F23-L27 HydrophobicContact CE1-CD1 3.26Å; F23-L27 HydrophobicContact CE1-CG 4.19Å; F23-L27 HydrophobicContact CG-CD1 4.36Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CG 4.42Å; F23-L27 VanDerWaalsContact O-CB 3.25Å; F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 WeakPolarHBondContact O-CG 3.48Å; F23-L27 PolarHBondContact O-N 2.84Å
24I72.6Confident64.1Low94 Ų94109 Ų10948%0.48254%0.54SS..Hα-helixtrans-62.4-43.9172-69.5164.3000110.2S20 I21 L27 Q28S20-I24 WeakPolarHBondContact O-CB 3.48Å; S20-I24 WeakPolarHBondContact O-CD1 3.48Å; S20-I24 WeakPolarHBondContact O-CG1 3.47Å; S20-I24 PolarHBondContact O-N 3.17Å; I21-I24 PolarHBondContact O-N 2.87Å; I24-L27 PolarHBondContact O-N 2.91Å; I24-Q28 WeakPolarHBondContact O-CB 2.98Å; I24-Q28 WeakPolarHBondContact O-CG 3.06Å; I24-Q28 PolarHBondContact O-N 3.48Å
25W58.8Low61.3Low153 Ų153110.1 Ų110.158%0.5855%0.546SS*.Hα-helixtrans-68-37.5178.7-160.171.2000111.5I21 A22 Q28 K29I21-W25 WeakPolarHBondContact O-CB 3.23Å; I21-W25 PolarHBondContact O-N 2.8Å; A22-W25 PolarHBondContact O-N 3.32Å; W25-Q28 PolarHBondContact O-N 2.67Å; W25-K29 HydrophobicContact CE3-CD 4.48Å; W25-K29 HydrophobicContact CH2-CD 4.3Å; W25-K29 HydrophobicContact CZ3-CD 4.1Å; W25-K29 WeakPolarHBondContact O-CB 3.46Å; W25-K29 PolarHBondContact O-N 3.33Å
26R62.4Low58.6Low185 Ų185111.2 Ų111.270%0.69856%0.559SS**Hα-helixtrans-72.6-35.3175.4-157.8175.1-166.1-178.33.3111.5A22 F23 K29 L30A22-R26 WeakPolarHBondContact O-CA 3.39Å; A22-R26 WeakPolarHBondContact O-CB 3.2Å; A22-R26 PolarHBondContact O-N 3.04Å; F23-R26 PolarHBondContact O-N 2.78Å; R26-K29 PolarHBondContact O-N 3.5Å; R26-L30 HydrophobicContact CG-CD1 4.41Å; R26-L30 VanDerWaalsContact O-CB 3.23Å; R26-L30 WeakPolarHBondContact O-CB 3.47Å; R26-L30 WeakPolarHBondContact O-CD1 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 2.85Å
27L57.4Low56.3Low87 Ų87110.1 Ų110.146%0.45556%0.564SS.*Hα-helixtrans-65.7-39.6169-89.4162.7000111.8F23 I24 L30 K31F23-L27 HydrophobicContact CD1-CD1 3.52Å; F23-L27 HydrophobicContact CD1-CG 4.43Å; F23-L27 HydrophobicContact CE1-CD1 3.26Å; F23-L27 HydrophobicContact CE1-CG 4.19Å; F23-L27 HydrophobicContact CG-CD1 4.36Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CG 4.42Å; F23-L27 VanDerWaalsContact O-CB 3.25Å; F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 WeakPolarHBondContact O-CG 3.48Å; F23-L27 PolarHBondContact O-N 2.84Å; I24-L27 PolarHBondContact O-N 2.91Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-K31 PolarHBondContact O-N 2.69Å
28Q47.4Very low53.6Low90 Ų90112.9 Ų112.942%0.42158%0.578SS.*Hα-helixtrans-66.8-41.5173-78.6-179.9-22.900111I24 W25 K31 Y32I24-Q28 WeakPolarHBondContact O-CB 2.98Å; I24-Q28 WeakPolarHBondContact O-CG 3.06Å; I24-Q28 PolarHBondContact O-N 3.48Å; W25-Q28 PolarHBondContact O-N 2.67Å; Q28-K31 WeakPolarHBondContact O-CB 3.34Å; Q28-K31 PolarHBondContact O-N 2.72Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y32 PolarHBondContact O-N 3.25Å
29K41.5Very low51Low113 Ų113120 Ų12049%0.49160%0.595SS.*Hα-helixtrans-66.4-37.4173.8-119.9-177.4178.1-176.70112.4W25 R26 K31 Y32 T33W25-K29 HydrophobicContact CE3-CD 4.48Å; W25-K29 HydrophobicContact CH2-CD 4.3Å; W25-K29 HydrophobicContact CZ3-CD 4.1Å; W25-K29 WeakPolarHBondContact O-CB 3.46Å; W25-K29 PolarHBondContact O-N 3.33Å; R26-K29 PolarHBondContact O-N 3.5Å; K29-K31 PolarHBondContact O-N 3.14Å; K29-Y32 CarbonylContact O-C 3.59Å; K29-Y32 PolarHBondContact O-N 3.01Å; K29-T33 PolarHBondContact O-N 2.85Å; K29-T33 PolarHBondContact O-OG1 2.89Å
30L41.4Very low48.8Very low90 Ų90120.1 Ų120.147%0.47160%0.602SS.*Hα-helixtrans-67.6-23.4173.3-78.8161.2000112.4R26 L27 Y32 L35R26-L30 HydrophobicContact CG-CD1 4.41Å; R26-L30 VanDerWaalsContact O-CB 3.23Å; R26-L30 WeakPolarHBondContact O-CB 3.47Å; R26-L30 WeakPolarHBondContact O-CD1 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 2.85Å; L27-L30 PolarHBondContact O-N 2.86Å; L30-Y32 VanDerWaalsContact C-N 3.34Å; L30-L35 HydrophobicContact CD2-CD1 3.99Å
31K39.1Very low46.9Very low185 Ų185125.5 Ų125.580%0.80462%0.619SS**Hα-helixtrans-77-17.2167.6-86.4-173.1173.3-175.20113.9L27 Q28 K29L27-K31 PolarHBondContact O-N 2.69Å; Q28-K31 WeakPolarHBondContact O-CB 3.34Å; Q28-K31 PolarHBondContact O-N 2.72Å; K29-K31 PolarHBondContact O-N 3.14Å
32Y37Very low45.5Very low162 Ų162128.4 Ų128.464%0.63563%0.627SS**Hα-helixtrans-116.1-3.8-172.9-89.3-79.9000114.8Q28 K29 L30Q28-Y32 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y32 PolarHBondContact O-N 3.25Å; K29-Y32 CarbonylContact O-C 3.59Å; K29-Y32 PolarHBondContact O-N 3.01Å; L30-Y32 VanDerWaalsContact C-N 3.34Å
33T32.6Very low45.1Very low81 Ų81127.8 Ų127.850%0.49761%0.614SS.*SBendtrans-119.1108.717745.50000109.5K29 L35K29-T33 PolarHBondContact O-N 2.85Å; K29-T33 PolarHBondContact O-OG1 2.89Å; T33-L35 PolarHBondContact O-N 2.68Å
34D36.9Very low44.5Very low169 Ų169125.9 Ų125.990%0.90461%0.605SS**  trans-0.476.6165.6-61.5-40.3000116.5
35L28.7Very low43.8Very low128 Ų128121.6 Ų121.667%0.6758%0.583SS**  trans-91.2115.5157.4-95158.6000107.5L30 T33 G37L30-L35 HydrophobicContact CD2-CD1 3.99Å; T33-L35 PolarHBondContact O-N 2.68Å; L35-G37 PolarHBondContact O-N 2.83Å
36P29.9Very low44.1Very low117 Ų117119 Ų11976%0.7658%0.581SS**  trans-70.1121.8-177.826.7-30.8000110.9I38P36-I38 PolarHBondContact O-N 3.08Å
37G37.6Very low44Very low60 Ų60117.8 Ų117.862%0.61958%0.581SS**SBendtrans82.18.313800000121.3L35L35-G37 PolarHBondContact O-N 2.83Å
38I29.5Very low44Very low148 Ų148117 Ų11776%0.75957%0.574SS**SBendtrans-99.2-17.5179.9-60.3178.6000114.1P36P36-I38 PolarHBondContact O-N 3.08Å
39W26.7Very low44.4Very low208 Ų208121.4 Ų121.479%0.78859%0.591SS**  trans-13546.1174.5-72.677.4000112.4F41W39-F41 HydrophobicContact CE3-CD2 4.04Å; W39-F41 AromaticContact CE3-CE2 3.46Å; W39-F41 HydrophobicContact CE3-CE2 3.46Å; W39-F41 VanDerWaalsContact CE3-CE2 3.46Å; W39-F41 HydrophobicContact CE3-CZ 4.14Å; W39-F41 AromaticContact CZ3-CE2 3.66Å; W39-F41 HydrophobicContact CZ3-CE2 3.66Å; W39-F41 AromaticContact CZ3-CZ 3.92Å; W39-F41 HydrophobicContact CZ3-CZ 3.92Å; W39-F41 PolarHBondContact O-N 2.96Å
40T33.6Very low44.9Very low110 Ų110118.6 Ų118.668%0.67559%0.585SS**  trans-67.291.215555.60000106.3K42T40-K42 PolarHBondContact O-N 3.07Å
41F39.6Very low45.4Very low164 Ų164117.4 Ų117.472%0.71958%0.582SS**  trans-54.1101.3160.2-96.9-85.4000105.6W39 R43W39-F41 HydrophobicContact CE3-CD2 4.04Å; W39-F41 AromaticContact CE3-CE2 3.46Å; W39-F41 HydrophobicContact CE3-CE2 3.46Å; W39-F41 VanDerWaalsContact CE3-CE2 3.46Å; W39-F41 HydrophobicContact CE3-CZ 4.14Å; W39-F41 AromaticContact CZ3-CE2 3.66Å; W39-F41 HydrophobicContact CZ3-CE2 3.66Å; W39-F41 AromaticContact CZ3-CZ 3.92Å; W39-F41 HydrophobicContact CZ3-CZ 3.92Å; W39-F41 PolarHBondContact O-N 2.96Å; F41-R43 PolarHBondContact O-N 3.16Å; F41-R43 VanDerWaalsContact O-N 3.09Å
42K51.1Low45.8Very low170 Ų170115.4 Ų115.474%0.73958%0.579SS**  trans-56.3118.8168.7-84.3-177.1175.9175.80105.6T40T40-K42 PolarHBondContact O-N 3.07Å
43R65.4Low46.5Very low40 Ų40109.9 Ų109.915%0.15156%0.56CS.*  trans-62.7143.8179.5-62.2176.5-176.3-126.4-0.7107.3F41 S45 D46 D412 D413 N613 R615F41-R43 PolarHBondContact O-N 3.16Å; F41-R43 VanDerWaalsContact O-N 3.09Å; R43-S45 PolarHBondContact O-N 2.74Å; R43-D46 WeakPolarHBondContact CB-OD2 3.46Å; R43-D46 PolarHBondContact N-OD2 2.74Å; R43-D46 WeakPolarHBondContact O-CB 3.21Å; R43-D46 PolarHBondContact O-N 2.83Å; R43-D46 VanDerWaalsContact O-N 3.14Å; R43-D412 IonicContact CZ-OD2 2.84Å; R43-D412 IonicContact NH2-OD2 2.67Å; R43-D412 PolarHBondContact NH2-OD2 2.75Å; R43-D413 IonicContact CZ-OD1 3.64Å; R43-D413 VanDerWaalsContact CZ-OD1 3.26Å; R43-D413 IonicContact NH1-OD1 3.46Å; R43-D413 PolarHBondContact NH1-OD1 2.93Å; R43-D413 IonicContact NH2-OD1 3.68Å; R43-D413 PolarHBondContact NH2-OD1 2.63Å; R43-N613 PolarHBondContact NH1-O 2.9Å; R43-R615 VanDerWaalsContact NH1-CZ 3.33Å
44K65.4Low47.6Very low89 Ų89112 Ų11239%0.38756%0.562SS.*SBendtrans-64.1-33.2-177.6-72.3175.6178.3175.10110.2D46 K47 F48 P573 E574 D614K44-D46 VanDerWaalsContact C-N 3.3Å; K44-D46 PolarHBondContact O-N 3.27Å; K44-K47 WeakPolarHBondContact O-CB 3.38Å; K44-K47 PolarHBondContact O-N 3.3Å; K44-F48 WeakPolarHBondContact O-CD2 3.43Å; K44-F48 WeakPolarHBondContact O-CE2 3.08Å; K44-P573 HydrophobicContact CB-CG 3.96Å; K44-P573 HydrophobicContact CD-CG 4.49Å; K44-E574 IonicContact NZ-OE1 3.34Å; K44-E574 PolarHBondContact NZ-OE1 2.83Å; K44-E574 IonicContact NZ-OE2 3.3Å; K44-E574 PolarHBondContact NZ-OE2 2.94Å; K44-D614 WeakPolarHBondContact CB-OD1 3.25Å; K44-D614 PolarHBondContact N-OD1 2.79Å
45S58.9Low48.3Very low4 Ų4108.3 Ų108.33%0.02855%0.549CS..G310 helixtrans-58.2-36.4173.854.10000113.3R43 K47 F48 D614R43-S45 PolarHBondContact O-N 2.74Å; S45-K47 PolarHBondContact O-N 3.4Å; S45-F48 WeakPolarHBondContact O-CD2 3.41Å; S45-F48 PolarHBondContact O-N 3.06Å; S45-D614 VanDerWaalsContact CB-O 3.28Å; S45-D614 WeakPolarHBondContact CB-O 3.38Å; S45-D614 PolarHBondContact OG-O 2.66Å
46D64.8Low49.3Very low98 Ų98104.1 Ų104.152%0.52453%0.529SS..G310 helixtrans-62.6-18.2179.7-63.4-28.9000113.4R43 K44 F48R43-D46 WeakPolarHBondContact CB-OD2 3.46Å; R43-D46 PolarHBondContact N-OD2 2.74Å; R43-D46 WeakPolarHBondContact O-CB 3.21Å; R43-D46 PolarHBondContact O-N 2.83Å; R43-D46 VanDerWaalsContact O-N 3.14Å; K44-D46 VanDerWaalsContact C-N 3.3Å; K44-D46 PolarHBondContact O-N 3.27Å; D46-F48 VanDerWaalsContact C-N 3.28Å
47K59.5Low50Low161 Ų161101.4 Ų101.470%0.752%0.522SS*.G310 helixtrans-71.5-24.3175.8-63.1-177.6-179.8179.50112.4K44 S45 K49K44-K47 WeakPolarHBondContact O-CB 3.38Å; K44-K47 PolarHBondContact O-N 3.3Å; S45-K47 PolarHBondContact O-N 3.4Å; K47-K49 PolarHBondContact O-N 3.4Å
48F58.5Low50.7Low70 Ų70100.8 Ų100.831%0.30750%0.502SS..  trans-88.884.1-179.9-56.1-81.8000108.4K44 S45 D46 M580 I584 Y619K44-F48 WeakPolarHBondContact O-CD2 3.43Å; K44-F48 WeakPolarHBondContact O-CE2 3.08Å; S45-F48 WeakPolarHBondContact O-CD2 3.41Å; S45-F48 PolarHBondContact O-N 3.06Å; D46-F48 VanDerWaalsContact C-N 3.28Å; F48-M580 HydrophobicContact CB-CE 4.11Å; F48-M580 HydrophobicContact CD1-CB 4.42Å; F48-M580 HydrophobicContact CD1-CE 4.11Å; F48-M580 HydrophobicContact CD2-CE 3.31Å; F48-M580 HydrophobicContact CD2-CG 4.36Å; F48-M580 HydrophobicContact CD2-SD 4.47Å; F48-M580 HydrophobicContact CE1-CB 3.77Å; F48-M580 HydrophobicContact CE1-CE 4.38Å; F48-M580 HydrophobicContact CE1-CG 4.13Å; F48-M580 HydrophobicContact CE2-CB 4.24Å; F48-M580 HydrophobicContact CE2-CE 3.64Å; F48-M580 HydrophobicContact CE2-CG 3.67Å; F48-M580 HydrophobicContact CE2-SD 4.25Å; F48-M580 HydrophobicContact CG-CE 3.56Å; F48-M580 HydrophobicContact CZ-CB 3.67Å; F48-M580 HydrophobicContact CZ-CE 4.17Å; F48-M580 HydrophobicContact CZ-CG 3.54Å; F48-I584 HydrophobicContact CB-CD1 4.49Å; F48-I584 HydrophobicContact CD1-CD1 3.82Å; F48-I584 HydrophobicContact CG-CD1 4.43Å; F48-Y619 HydrophobicContact CB-CE2 4.08Å; F48-Y619 VanDerWaalsContact O-CE2 3.3Å; F48-Y619 WeakPolarHBondContact O-CE2 3.46Å
49K54.3Low51.7Low182 Ų18297.6 Ų97.679%0.79148%0.484SS*.PPolyproline II helixtrans-77.1135.5172.4-73.1-171.2176.4-175.20109.8K47K47-K49 PolarHBondContact O-N 3.4Å
50P52.3Low53Low54 Ų5487.9 Ų87.935%0.35145%0.447SS..PPolyproline II helixtrans-56149.1170.1-20.329.9000111.1L52 F588P50-L52 PolarHBondContact O-N 3.42Å; P50-F588 HydrophobicContact CB-CZ 4.12Å
51T52.4Low53.8Low66 Ų6686.2 Ų86.241%0.40543%0.434SS..PPolyproline II helixtrans-59.3129.6172.6-36.80000109.5I53 N234T51-I53 PolarHBondContact O-N 3.38Å; T51-I53 VanDerWaalsContact O-N 3.15Å; T51-N234 WeakPolarHBondContact CG2-ND2 3.32Å
52L47.4Very low54.2Low142 Ų14279.9 Ų79.974%0.74341%0.41SS*.  trans-65.3114.8178.1-108.9112.6000110.3P50P50-L52 PolarHBondContact O-N 3.42Å
53I52.4Low53.7Low47 Ų4777.9 Ų77.924%0.24140%0.403CS..  trans-87.4128.7173.2-59.5160.7000107.9T51 F627 N630 W631T51-I53 PolarHBondContact O-N 3.38Å; T51-I53 VanDerWaalsContact O-N 3.15Å; I53-F627 HydrophobicContact CD1-CD2 4.48Å; I53-N630 HydrophobicContact CD1-CB 3.6Å; I53-W631 HydrophobicContact CG1-CZ2 4.49Å; I53-W631 HydrophobicContact CG2-CZ2 4.24Å
54K55.6Low52.5Low124 Ų12480.6 Ų80.654%0.53942%0.421SS..EExtended strand (participates in β ladder)trans-111.2142.2175.3-64.1-177.5-178.6-179.30109.7M231K54-M231 HydrophobicContact CB-CG 3.98Å; K54-M231 HydrophobicContact CB-SD 4.17Å; K54-M231 WeakPolarHBondContact O-CG 3.35Å; K54-M231 PolarHBondContact O-N 3.25Å
55S50Low51.4Low92 Ų9280.9 Ų80.964%0.64343%0.426SS*.EExtended strand (participates in β ladder)trans-83.1137.7163.549.80000109.1
56V50.6Low50.7Low40 Ų4084.6 Ų84.624%0.24245%0.452CS..  trans-133.5145.3172.6-154.90000112.4Y58 G229 M231V56-Y58 HydrophobicContact CB-CD2 3.56Å; V56-Y58 HydrophobicContact CB-CE2 3.87Å; V56-Y58 HydrophobicContact CB-CG 4.39Å; V56-Y58 HydrophobicContact CG1-CD1 4.47Å; V56-Y58 HydrophobicContact CG1-CD2 3.23Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 3.21Å; V56-Y58 HydrophobicContact CG1-CG 3.9Å; V56-Y58 HydrophobicContact CG2-CD2 4.08Å; V56-Y58 HydrophobicContact CG2-CE2 4.06Å; V56-Y58 PolarHBondContact O-N 3.11Å; V56-G229 PolarHBondContact N-O 2.94Å; V56-G229 VanDerWaalsContact N-O 3.17Å; V56-M231 HydrophobicContact CG2-CB 4.08Å; V56-M231 HydrophobicContact CG2-CG 3.49Å; V56-M231 VanDerWaalsContact CG2-CG 3.49Å; V56-M231 HydrophobicContact CG2-SD 3.1Å; V56-M231 WeakPolarHBondContact CG2-SD 3.42Å
57G44.2Very low49.7Very low60 Ų6083.4 Ų83.462%0.61945%0.448SS*.  trans-78.728.6172.700000115Q59G57-Q59 PolarHBondContact O-N 2.87Å
58Y52.5Low48.9Very low48 Ų4878.2 Ų78.219%0.18843%0.425CS..  trans-75.5112.2177-68.1-60.4000110.1V56 Y215 L218 Y301 Y313V56-Y58 HydrophobicContact CB-CD2 3.56Å; V56-Y58 HydrophobicContact CB-CE2 3.87Å; V56-Y58 HydrophobicContact CB-CG 4.39Å; V56-Y58 HydrophobicContact CG1-CD1 4.47Å; V56-Y58 HydrophobicContact CG1-CD2 3.23Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 3.21Å; V56-Y58 HydrophobicContact CG1-CG 3.9Å; V56-Y58 HydrophobicContact CG2-CD2 4.08Å; V56-Y58 HydrophobicContact CG2-CE2 4.06Å; V56-Y58 PolarHBondContact O-N 3.11Å; Y58-Y215 HydrophobicContact CD2-CD1 4.1Å; Y58-Y215 HydrophobicContact CD2-CE1 4.19Å; Y58-Y215 HydrophobicContact CE2-CD1 4.46Å; Y58-Y215 HydrophobicContact CE2-CE1 4.09Å; Y58-L218 WeakPolarHBondContact O-CD1 3.33Å; Y58-Y301 HydrophobicContact CE1-CD2 4.25Å; Y58-Y313 HydrophobicContact CE1-CE2 4.46Å
59Q50.9Low48.1Very low81 Ų8184.2 Ų84.238%0.37945%0.446SS..EExtended strand (participates in β ladder)trans-97.8123.9173.7178.7172.4-1100108.7G57 L218 A299 N300G57-Q59 PolarHBondContact O-N 2.87Å; Q59-L218 HydrophobicContact CB-CD1 4.32Å; Q59-A299 CarbonylContact O-C 3.45Å; Q59-A299 WeakPolarHBondContact O-CA 3.44Å; Q59-N300 PolarHBondContact O-N 3.44Å
60C54.1Low47.6Very low3 Ų379.5 Ų79.52%0.0243%0.433CS..EExtended strand (participates in β ladder)trans-75.1136.7162.4-69.10000109.9S62 T272 C298C60-S62 PolarHBondContact O-N 3.46Å; C60-S62 PolarHBondContact O-OG 2.9Å; C60-T272 HydrophobicContact CB-CG2 4.37Å; C60-C298 CarbonylContact C-O 3.38Å; C60-C298 WeakPolarHBondContact CA-O 3.24Å; C60-C298 WeakPolarHBondContact CB-O 3.45Å; C60-C298 VanDerWaalsContact SG-C 3.57Å; C60-C298 PolarHBondContact SG-O 3.42Å; C60-C298 VanDerWaalsContact SG-O 3.32Å
61D50.2Low47Very low75 Ų7580.4 Ų80.440%0.40143%0.432SS..  trans-55.9103.9174.4-98.4-23.4000108.5C298 N300D61-C298 PolarHBondContact N-O 3.08Å; D61-C298 VanDerWaalsContact N-O 3.11Å; D61-N300 PolarHBondContact OD1-ND2 2.9Å; D61-N300 PolarHBondContact OD2-OD1 2.68Å
62S47Very low46.4Very low31 Ų3182.3 Ų82.322%0.21744%0.439CS..  trans-114.592170.739.10000105.5C60 N64C60-S62 PolarHBondContact O-N 3.46Å; C60-S62 PolarHBondContact O-OG 2.9Å; S62-N64 PolarHBondContact O-N 2.9Å
63H40.6Very low45.9Very low128 Ų12880.7 Ų80.759%0.59343%0.431SS*.  trans-67.4131.9171-71.3-68.3000108.8
64N41Very low45.2Very low98 Ų9882.9 Ų82.952%0.52444%0.442SS..  trans79.665.9172.9-75.1-25.7000119.7S62 S66 V67 F68S62-N64 PolarHBondContact O-N 2.9Å; N64-S66 PolarHBondContact O-N 3.18Å; N64-V67 HydrophobicContact CB-CB 4.41Å; N64-V67 HydrophobicContact CB-CG2 3.99Å; N64-F68 WeakPolarHBondContact O-CD2 3.45Å
65I41.4Very low44.4Very low94 Ų9482.3 Ų82.348%0.48244%0.437SS..Hα-helixtrans-64.9-24.7158.3-68.7168.5000112.2F68 N219I65-F68 PolarHBondContact O-N 2.86Å; I65-N219 HydrophobicContact CD1-CB 4.39Å
66S44Very low43.6Very low82 Ų8282.3 Ų82.357%0.57343%0.433SS*.Hα-helixtrans-70.5-35.5-175.656.40000114N64 F68N64-S66 PolarHBondContact O-N 3.18Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.79Å
67V44.5Very low42.7Very low74 Ų7489 Ų8945%0.44846%0.46SS..Hα-helixtrans-68.8-27.1178.1-178.90000111.4N64 Q71N64-V67 HydrophobicContact CB-CB 4.41Å; N64-V67 HydrophobicContact CB-CG2 3.99Å; V67-Q71 PolarHBondContact O-N 3.12Å
68F43.1Very low42.2Very low51 Ų5189.1 Ų89.122%0.22445%0.448CS..Hα-helixtrans-71.7-36.7-178.3-90.5-86.3000114.7N64 I65 S66 T70 Q71 I72 V321N64-F68 WeakPolarHBondContact O-CD2 3.45Å; I65-F68 PolarHBondContact O-N 2.86Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.79Å; F68-T70 PolarHBondContact O-N 2.9Å; F68-Q71 PolarHBondContact O-N 2.84Å; F68-I72 WeakPolarHBondContact O-CG1 3.35Å; F68-I72 PolarHBondContact O-N 3.37Å; F68-V321 HydrophobicContact CZ-CG1 3.83Å
69R41.7Very low41.3Very low196 Ų19696.5 Ų96.574%0.7448%0.475SS*.Hα-helixtrans-61.8-36.1177.1-82.2-174.1176.8170.90.2111.5N73R69-N73 WeakPolarHBondContact O-CB 3.5Å; R69-N73 PolarHBondContact O-N 2.83Å; R69-N73 PolarHBondContact O-ND2 3.34Å
70T43.2Very low40.5Very low84 Ų84101 Ų10152%0.51550%0.496SS..Hα-helixtrans-71.1-40.7177.9-36.80000111.1F68 N73 I74F68-T70 PolarHBondContact O-N 2.9Å; T70-N73 PolarHBondContact O-N 3.42Å; T70-I74 HydrophobicContact CG2-CD1 4.07Å; T70-I74 WeakPolarHBondContact O-CD1 3.04Å; T70-I74 VanDerWaalsContact O-CG1 3.22Å; T70-I74 WeakPolarHBondContact O-CG1 3.17Å; T70-I74 PolarHBondContact O-N 2.92Å
71Q39.7Very low39.5Very low73 Ų73107.9 Ų107.934%0.34153%0.528SS..Hα-helixtrans-67.6-44.8177-87.1-166.62.300112.8V67 F68 N73 I74 Y75V67-Q71 PolarHBondContact O-N 3.12Å; F68-Q71 PolarHBondContact O-N 2.84Å; Q71-N73 PolarHBondContact O-N 2.71Å; Q71-I74 CarbonylContact O-C 3.58Å; Q71-I74 PolarHBondContact O-N 3.4Å; Q71-Y75 VanDerWaalsContact C-CD2 3.48Å; Q71-Y75 HydrophobicContact CB-CD2 4.02Å; Q71-Y75 HydrophobicContact CB-CE2 3.76Å; Q71-Y75 HydrophobicContact CG-CE2 4.04Å; Q71-Y75 WeakPolarHBondContact O-CB 3.47Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.78Å
72I40.3Very low38.7Very low106 Ų106109.9 Ų109.954%0.54455%0.548SS..Hα-helixtrans-56.8-39.5175.3-67.8170.8000111F68 Y75 T76F68-I72 WeakPolarHBondContact O-CG1 3.35Å; F68-I72 PolarHBondContact O-N 3.37Å; I72-Y75 PolarHBondContact O-N 2.96Å; I72-T76 PolarHBondContact O-N 3.01Å; I72-T76 PolarHBondContact O-OG1 3.21Å
73N36.5Very low38.5Very low107 Ų107111.9 Ų111.957%0.57256%0.556SS**Hα-helixtrans-73.9-27.7176.2-77.3-17.2000114.4R69 T70 Q71 T76R69-N73 WeakPolarHBondContact O-CB 3.5Å; R69-N73 PolarHBondContact O-N 2.83Å; R69-N73 PolarHBondContact O-ND2 3.34Å; T70-N73 PolarHBondContact O-N 3.42Å; Q71-N73 PolarHBondContact O-N 2.71Å; N73-T76 PolarHBondContact O-OG1 3.4Å; N73-T76 VanDerWaalsContact O-OG1 3.1Å
74I37.4Very low38.8Very low93 Ų93112.3 Ų112.348%0.47757%0.573SS.*Hα-helixtrans-74.8-34.2170.3-68.9163.9000110T70 Q71 K77 V78T70-I74 HydrophobicContact CG2-CD1 4.07Å; T70-I74 WeakPolarHBondContact O-CD1 3.04Å; T70-I74 VanDerWaalsContact O-CG1 3.22Å; T70-I74 WeakPolarHBondContact O-CG1 3.17Å; T70-I74 PolarHBondContact O-N 2.92Å; Q71-I74 CarbonylContact O-C 3.58Å; Q71-I74 PolarHBondContact O-N 3.4Å; I74-K77 VanDerWaalsContact O-CB 3.31Å; I74-K77 WeakPolarHBondContact O-CB 3.39Å; I74-K77 PolarHBondContact O-N 2.85Å; I74-K77 VanDerWaalsContact O-N 3.16Å; I74-V78 PolarHBondContact O-N 2.8Å
75Y38.7Very low39.1Very low112 Ų112110.2 Ų110.244%0.43957%0.566SS.*Hα-helixtrans-78.5-29.7-177.8-73.4-59.7000114Q71 I72 K77 V78Q71-Y75 VanDerWaalsContact C-CD2 3.48Å; Q71-Y75 HydrophobicContact CB-CD2 4.02Å; Q71-Y75 HydrophobicContact CB-CE2 3.76Å; Q71-Y75 HydrophobicContact CG-CE2 4.04Å; Q71-Y75 WeakPolarHBondContact O-CB 3.47Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.78Å; I72-Y75 PolarHBondContact O-N 2.96Å; Y75-K77 PolarHBondContact O-N 2.83Å; Y75-V78 PolarHBondContact O-N 2.98Å
76T34.8Very low39.4Very low92 Ų92114.1 Ų114.156%0.56459%0.586SS**G310 helixtrans-60.4-24165.740.90000112.1I72 N73I72-T76 PolarHBondContact O-N 3.01Å; I72-T76 PolarHBondContact O-OG1 3.21Å; N73-T76 PolarHBondContact O-OG1 3.4Å; N73-T76 VanDerWaalsContact O-OG1 3.1Å
77K30.8Very low39.8Very low182 Ų182117.8 Ų117.879%0.79160%0.599SS**G310 helixtrans-79.7-21.1171.3-75-180172-1800114.6I74 Y75 R79I74-K77 VanDerWaalsContact O-CB 3.31Å; I74-K77 WeakPolarHBondContact O-CB 3.39Å; I74-K77 PolarHBondContact O-N 2.85Å; I74-K77 VanDerWaalsContact O-N 3.16Å; Y75-K77 PolarHBondContact O-N 2.83Å; K77-R79 PolarHBondContact O-N 3.21Å
78V33.3Very low40.7Very low62 Ų62115.8 Ų115.838%0.37659%0.588SS.*G310 helixtrans-86.716.3-179.6-170.50000112.4I74 Y75 H80 Q81I74-V78 PolarHBondContact O-N 2.8Å; Y75-V78 PolarHBondContact O-N 2.98Å; V78-H80 PolarHBondContact O-N 3.33Å; V78-H80 VanDerWaalsContact O-N 3.1Å; V78-Q81 HydrophobicContact CG1-CG 4.39Å
79R33.8Very low42.3Very low202 Ų202119.7 Ų119.776%0.76261%0.605SS**G310 helixtrans-64.4-10.2173.6-110.8-179-179.7177.4-0.3114.4K77K77-R79 PolarHBondContact O-N 3.21Å
80H34Very low44.5Very low175 Ų175111.4 Ų111.481%0.8158%0.577SS**  trans-136.975.6-178.5-63-69.9000111.2V78V78-H80 PolarHBondContact O-N 3.33Å; V78-H80 VanDerWaalsContact O-N 3.1Å
81Q33.6Very low46.8Very low148 Ų148107.4 Ų107.469%0.69255%0.552SS**  trans-108.6115155.8-82.4-174.2-13.200109.3V78 N83V78-Q81 HydrophobicContact CG1-CG 4.39Å; Q81-N83 PolarHBondContact O-N 3.42Å
82S32.3Very low49.4Very low118 Ų118103.9 Ų103.983%0.82554%0.536SS*.  trans-53.2110.1176.752.20000111.2
83N43.1Very low52Low72 Ų7298.9 Ų98.939%0.38551%0.51SS..  trans-122.9145.7161.1-84.6-15.5000107.6Q81 C85Q81-N83 PolarHBondContact O-N 3.42Å; N83-C85 PolarHBondContact O-N 3Å
84S47.8Very low54.8Low137 Ų13793.8 Ų93.896%0.95848%0.483SS*.SBendtrans-60.57.2-16456.30000117.9
85C46.7Very low57.4Low54 Ų5489.3 Ų89.337%0.36546%0.46SS..  trans-126.1102.9173.1-170.80000110N83 D87 C88N83-C85 PolarHBondContact O-N 3Å; C85-D87 VanDerWaalsContact C-N 3.28Å; C85-C88 HydrophobicContact CB-CB 3.96Å; C85-C88 WeakPolarHBondContact CB-SG 3.5Å; C85-C88 VanDerWaalsContact SG-CA 3.58Å; C85-C88 WeakPolarHBondContact SG-CB 3.27Å; C85-C88 PolarHBondContact SG-N 3.32Å; C85-C88 CovalentContact SG-SG 2.03Å; C85-C88 PolarHBondContact SG-SG 2.95Å
86I47.3Very low59.9Low177 Ų17784 Ų8491%0.90844%0.439SS*.SBendtrans-73.9-22.7-178.4-66167.8000111.1
87D52.2Low62.2Low159 Ų15983.5 Ų83.585%0.8543%0.433SS*.SBendtrans-12720.7-167.2-127.81.6000114.8C85C85-D87 VanDerWaalsContact C-N 3.28Å
88C63.9Low64.8Low31 Ų3177 Ų7721%0.20941%0.411CS..PPolyproline II helixtrans-75130.7-178-81.50000112.4C85 S90 R143C85-C88 HydrophobicContact CB-CB 3.96Å; C85-C88 WeakPolarHBondContact CB-SG 3.5Å; C85-C88 VanDerWaalsContact SG-CA 3.58Å; C85-C88 WeakPolarHBondContact SG-CB 3.27Å; C85-C88 PolarHBondContact SG-N 3.32Å; C85-C88 CovalentContact SG-SG 2.03Å; C85-C88 PolarHBondContact SG-SG 2.95Å; C88-S90 PolarHBondContact O-N 2.54Å; C88-R143 HydrophobicContact CB-CB 4.32Å
89K77.9Confident66.8Low133 Ų13380.8 Ų80.858%0.57842%0.422SS*.PPolyproline II helixtrans-57.7132170.2-158.9-173.3-159.7-167.60109.9P117 R143K89-P117 HydrophobicContact CD-CB 3.92Å; K89-P117 HydrophobicContact CD-CG 3.61Å; K89-P117 HydrophobicContact CG-CB 4.41Å; K89-P117 HydrophobicContact CG-CG 3.87Å; K89-R143 PolarHBondContact O-N 2.8Å
90S87.1Confident68.9Low22 Ų2275.3 Ų75.315%0.15441%0.414CS..EExtended strand (participates in β ladder)trans-83.9139.9175.3-69.70000110.9C88 P117 R143 R145C88-S90 PolarHBondContact O-N 2.54Å; S90-P117 WeakPolarHBondContact O-CG 3.38Å; S90-R143 WeakPolarHBondContact CA-O 3.48Å; S90-R145 PolarHBondContact OG-NE 2.86Å; S90-R145 VanDerWaalsContact OG-NE 3.08Å
91S91.6Very high71.2Confident0 Ų068 Ų680%038%0.383CS..EExtended strand (participates in β ladder)trans-142165.9-175.962.50000115P117 E142 R143 R145S91-P117 CarbonylContact C-O 3.44Å; S91-P117 WeakPolarHBondContact CA-O 3.35Å; S91-P117 VanDerWaalsContact CB-O 3.27Å; S91-P117 WeakPolarHBondContact CB-O 3.44Å; S91-E142 WeakPolarHBondContact CB-OE2 3.22Å; S91-E142 PolarHBondContact OG-OE2 2.95Å; S91-R143 PolarHBondContact N-O 3.33Å; S91-R145 PolarHBondContact O-N 3.14Å
92I94.8Very high73.5Confident0 Ų065.3 Ų65.30%038%0.379CS..EExtended strand (participates in β ladder)trans-112135.8174.3-61.9-177.6000109.5V94 I111 I116 P117 H118 H119 I146 I148 I350 F358I92-V94 HydrophobicContact CG2-CG2 4.15Å; I92-I111 HydrophobicContact CG2-CD1 4.25Å; I92-I116 HydrophobicContact CB-CG2 4.44Å; I92-I116 HydrophobicContact CD1-CB 4.49Å; I92-I116 HydrophobicContact CD1-CD1 4Å; I92-I116 HydrophobicContact CD1-CG2 3.7Å; I92-I116 HydrophobicContact CG1-CG2 3.72Å; I92-P117 PolarHBondContact N-O 2.83Å; I92-H118 HydrophobicContact CB-CB 4.46Å; I92-H118 CarbonylContact O-C 3.5Å; I92-H118 WeakPolarHBondContact O-CA 3.37Å; I92-H118 WeakPolarHBondContact O-CB 3.35Å; I92-H119 PolarHBondContact O-N 3.49Å; I92-I146 WeakPolarHBondContact CA-O 2.9Å; I92-I146 HydrophobicContact CD1-CD1 4.4Å; I92-I146 HydrophobicContact CG1-CB 4.17Å; I92-I146 HydrophobicContact CG2-CB 4.38Å; I92-I148 HydrophobicContact CG2-CD1 3.78Å; I92-I148 HydrophobicContact CG2-CG1 3.89Å; I92-I350 HydrophobicContact CD1-CD1 4.44Å; I92-I350 HydrophobicContact CD1-CG1 4.43Å; I92-I350 HydrophobicContact CD1-CG2 4.04Å; I92-F358 HydrophobicContact CD1-CD2 4.09Å; I92-F358 HydrophobicContact CD1-CE2 3.8Å; I92-F358 HydrophobicContact CG1-CD2 4.32Å; I92-F358 HydrophobicContact CG1-CE2 3.52Å; I92-F358 HydrophobicContact CG1-CZ 4.06Å
93V94.8Very high76.1Confident0 Ų060.2 Ų60.20%034%0.342CS..EExtended strand (participates in β ladder)trans-104.4129.9171178.30000109.3F95 H119 I121 L135 I138 I144 I146 I147 I148V93-F95 HydrophobicContact CG1-CD2 4.35Å; V93-F95 HydrophobicContact CG1-CE2 3.94Å; V93-F95 HydrophobicContact CG1-CZ 4.09Å; V93-H119 HydrophobicContact CG2-CB 4.31Å; V93-I121 HydrophobicContact CG1-CD1 3.46Å; V93-I121 VanDerWaalsContact CG1-CD1 3.46Å; V93-I121 HydrophobicContact CG1-CG1 4.3Å; V93-L135 HydrophobicContact CB-CD2 4.43Å; V93-L135 HydrophobicContact CG1-CD2 4.02Å; V93-L135 HydrophobicContact CG2-CD2 4.14Å; V93-I138 HydrophobicContact CG2-CD1 4.24Å; V93-I144 HydrophobicContact CG2-CD1 3.87Å; V93-I144 HydrophobicContact CG2-CG1 3.99Å; V93-I144 HydrophobicContact CG2-CG2 3.94Å; V93-I146 PolarHBondContact N-O 3.47Å; V93-I147 HydrophobicContact CB-CG1 4.33Å; V93-I147 CarbonylContact O-C 3.53Å; V93-I147 WeakPolarHBondContact O-CA 3.43Å; V93-I148 PolarHBondContact O-N 3.26Å
94V94.3Very high78.3Confident0 Ų056.8 Ų56.80%032%0.324CS..EExtended strand (participates in β ladder)trans-115.5115.9178.1-168.80000109.1I92 T96 L107 I111 H119 V120 I121 I148I92-V94 HydrophobicContact CG2-CG2 4.15Å; V94-T96 HydrophobicContact CG1-CG2 3.74Å; V94-L107 HydrophobicContact CG1-CD1 4.23Å; V94-I111 HydrophobicContact CG2-CD1 3.36Å; V94-H119 PolarHBondContact N-O 3.47Å; V94-V120 WeakPolarHBondContact O-CA 3.42Å; V94-I121 PolarHBondContact O-N 3.22Å; V94-I148 CarbonylContact C-O 3.53Å; V94-I148 WeakPolarHBondContact CA-O 3.25Å; V94-I148 HydrophobicContact CG1-CB 4.3Å; V94-I148 HydrophobicContact CG1-CG2 4.43Å; V94-I148 HydrophobicContact CG2-CB 4.38Å
95F93.4Very high80.1Confident0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-89.4119.6171.3-71.3-71.5000109.9V93 I121 M123 I131 L135 I147 I148 F149 E150V93-F95 HydrophobicContact CG1-CD2 4.35Å; V93-F95 HydrophobicContact CG1-CE2 3.94Å; V93-F95 HydrophobicContact CG1-CZ 4.09Å; F95-I121 WeakPolarHBondContact CA-O 3.43Å; F95-I121 HydrophobicContact CD1-CB 3.78Å; F95-I121 HydrophobicContact CD1-CD1 4.28Å; F95-I121 HydrophobicContact CD1-CG2 3.88Å; F95-I121 HydrophobicContact CE1-CB 3.9Å; F95-I121 HydrophobicContact CE1-CD1 3.63Å; F95-I121 HydrophobicContact CE1-CG1 4.39Å; F95-I121 HydrophobicContact CE1-CG2 3.8Å; F95-I121 HydrophobicContact CZ-CD1 3.97Å; F95-M123 HydrophobicContact CB-CG 4.39Å; F95-M123 HydrophobicContact CD1-CG 3.51Å; F95-M123 HydrophobicContact CD1-SD 3.47Å; F95-M123 WeakPolarHBondContact CD1-SD 3.17Å; F95-M123 HydrophobicContact CE1-CG 4.24Å; F95-M123 HydrophobicContact CE1-SD 3.67Å; F95-M123 HydrophobicContact CG-CG 4.36Å; F95-M123 HydrophobicContact CG-SD 4.4Å; F95-I131 HydrophobicContact CE1-CG1 4.48Å; F95-I131 HydrophobicContact CE1-CG2 4.47Å; F95-I131 HydrophobicContact CZ-CG2 3.96Å; F95-L135 HydrophobicContact CE2-CD2 4.39Å; F95-L135 HydrophobicContact CZ-CD1 4.27Å; F95-L135 HydrophobicContact CZ-CD2 3.99Å; F95-L135 HydrophobicContact CZ-CG 4.29Å; F95-I147 HydrophobicContact CD2-CG2 3.54Å; F95-I147 HydrophobicContact CE2-CG2 3.56Å; F95-I148 PolarHBondContact N-O 3.03Å; F95-F149 HydrophobicContact CB-CD1 3.78Å; F95-F149 HydrophobicContact CB-CE1 4.03Å; F95-F149 AromaticContact CD2-CD1 3.97Å; F95-F149 HydrophobicContact CD2-CD1 3.97Å; F95-F149 AromaticContact CD2-CE1 3.45Å; F95-F149 HydrophobicContact CD2-CE1 3.45Å; F95-F149 VanDerWaalsContact CD2-CE1 3.45Å; F95-F149 HydrophobicContact CD2-CE2 4.46Å; F95-F149 AromaticContact CD2-CZ 3.73Å; F95-F149 HydrophobicContact CD2-CZ 3.73Å; F95-F149 HydrophobicContact CE2-CE1 4.13Å; F95-F149 HydrophobicContact CE2-CZ 4.09Å; F95-F149 HydrophobicContact CG-CD1 4.18Å; F95-F149 AromaticContact CG-CE1 3.91Å; F95-F149 HydrophobicContact CG-CE1 3.91Å; F95-E150 WeakPolarHBondContact O-CB 3.13Å; F95-E150 PolarHBondContact O-N 3.29Å
96T90.1Very high82Confident0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-120.6152.9-176.165.90000111.5V94 V120 I121 S122 M123 E150V94-T96 HydrophobicContact CG1-CG2 3.74Å; T96-V120 HydrophobicContact CG2-CG1 3.8Å; T96-I121 PolarHBondContact N-O 3.36Å; T96-S122 CarbonylContact O-C 3.42Å; T96-S122 WeakPolarHBondContact O-CA 3.44Å; T96-M123 PolarHBondContact O-N 3.37Å; T96-E150 WeakPolarHBondContact CA-OE2 3.48Å; T96-E150 WeakPolarHBondContact CB-OE2 3.39Å; T96-E150 HydrophobicContact CG2-CB 4.46Å
97L84.1Confident84.1Confident82 Ų8248 Ų4843%0.42925%0.251SS..SBendtrans-72-39.9172.4-66.5172.2000110.5S122 E150 N151 I154 L182L97-S122 PolarHBondContact O-OG 2.93Å; L97-E150 PolarHBondContact N-OE2 3.44Å; L97-N151 HydrophobicContact CD1-CB 4.11Å; L97-N151 HydrophobicContact CD2-CB 4.19Å; L97-N151 HydrophobicContact CG-CB 4.15Å; L97-I154 HydrophobicContact CD2-CD1 3.93Å; L97-I154 HydrophobicContact CD2-CG1 4.47Å; L97-L182 HydrophobicContact CD1-CD1 4.21Å
98S84Confident85.9Confident46 Ų4641.3 Ų41.332%0.32222%0.216SC..  trans-150139.1175.5172.60000110S100 S101 S104 S122S98-S100 PolarHBondContact O-N 3.16Å; S98-S100 VanDerWaalsContact O-N 3.1Å; S98-S100 PolarHBondContact OG-N 3.19Å; S98-S100 PolarHBondContact OG-OG 3.46Å; S98-S100 VanDerWaalsContact OG-OG 3.07Å; S98-S101 PolarHBondContact O-N 3.42Å; S98-S101 PolarHBondContact O-OG 3.08Å; S98-S104 VanDerWaalsContact O-CB 3.24Å; S98-S104 WeakPolarHBondContact O-CB 3.2Å; S98-S104 PolarHBondContact O-OG 3.45Å; S98-S122 WeakPolarHBondContact CA-OG 3.21Å
99K75.8Confident87Confident140 Ų14042 Ų4261%0.60922%0.216SC*.THydrogen-bonded Turntrans-58.4-24.3175.3-66.8-171.8176.9-177.20113.2S104 V120K99-S104 PolarHBondContact O-OG 3.34Å; K99-V120 HydrophobicContact CG-CG1 4.47Å
100S78.2Confident87.5Confident87 Ų8735.6 Ų35.661%0.60819%0.188SC*.THydrogen-bonded Turntrans-99.8-4.6-175.358.60000115S98S98-S100 PolarHBondContact O-N 3.16Å; S98-S100 VanDerWaalsContact O-N 3.1Å; S98-S100 PolarHBondContact OG-N 3.19Å; S98-S100 PolarHBondContact OG-OG 3.46Å; S98-S100 VanDerWaalsContact OG-OG 3.07Å
101S82.3Confident87.7Confident21 Ų2134.6 Ų34.615%0.14718%0.181CC..SBendtrans-60.3147.6-179.472.70000111.1S98 T103 S104 R105 E150S98-S101 PolarHBondContact O-N 3.42Å; S98-S101 PolarHBondContact O-OG 3.08Å; S101-T103 VanDerWaalsContact C-N 3.26Å; S101-T103 PolarHBondContact O-N 3Å; S101-T103 PolarHBondContact OG-OG1 3.29Å; S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 WeakPolarHBondContact OG-CB 3.47Å; S101-S104 PolarHBondContact OG-N 2.9Å; S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 3.18Å; S101-E150 PolarHBondContact OG-OE1 3.47Å
102P82.7Confident87.4Confident93 Ų9340.2 Ų40.260%0.60421%0.206SC*.Hα-helixtrans-55.8-39.3176.1-26.335000113.4R105 Y106P102-R105 PolarHBondContact O-N 3.04Å; P102-Y106 WeakPolarHBondContact O-CB 3.22Å; P102-Y106 PolarHBondContact O-N 2.94Å
103T86.7Confident86.9Confident10 Ų1040.6 Ų40.66%0.06121%0.208CC..Hα-helixtrans-67.7-44.1178.435.10000112.6S101 Y106 L107 E150 R335 P336S101-T103 VanDerWaalsContact C-N 3.26Å; S101-T103 PolarHBondContact O-N 3Å; S101-T103 PolarHBondContact OG-OG1 3.29Å; T103-Y106 PolarHBondContact O-N 3.2Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-E150 VanDerWaalsContact CB-OE1 3.3Å; T103-E150 WeakPolarHBondContact CB-OE1 3.15Å; T103-E150 PolarHBondContact OG1-OE1 3.45Å; T103-R335 HydrophobicContact CG2-CB 4.19Å; T103-P336 HydrophobicContact CG2-CB 4.25Å; T103-P336 HydrophobicContact CG2-CG 4.23Å
104S88Confident86.4Confident1 Ų141 Ų411%0.00721%0.21CC..Hα-helixtrans-59.1-47.8171.2168.70000111S98 K99 S101 Y106 L107 V108 E150S98-S104 VanDerWaalsContact O-CB 3.24Å; S98-S104 WeakPolarHBondContact O-CB 3.2Å; S98-S104 PolarHBondContact O-OG 3.45Å; K99-S104 PolarHBondContact O-OG 3.34Å; S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 WeakPolarHBondContact OG-CB 3.47Å; S101-S104 PolarHBondContact OG-N 2.9Å; S104-Y106 VanDerWaalsContact C-N 3.29Å; S104-Y106 PolarHBondContact O-N 3.08Å; S104-L107 PolarHBondContact O-N 3.46Å; S104-V108 WeakPolarHBondContact O-CB 3.22Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.48Å; S104-V108 PolarHBondContact O-N 2.79Å; S104-E150 PolarHBondContact N-OE1 2.92Å
105R87Confident85.9Confident142 Ų14242.7 Ų42.754%0.53622%0.219SC..Hα-helixtrans-59.1-41178.1-74-169.4-68.8134.2-4.5112.1S101 P102 H109S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 3.18Å; P102-R105 PolarHBondContact O-N 3.04Å; R105-H109 WeakPolarHBondContact O-CB 3.38Å; R105-H109 PolarHBondContact O-N 3.44Å
106Y87.1Confident85.6Confident41 Ų4143.3 Ų43.316%0.16122%0.222CC..Hα-helixtrans-62.4-49.5176.6173.3-91.1000112.4P102 T103 S104 H109 I110 P336 G337 S343P102-Y106 WeakPolarHBondContact O-CB 3.22Å; P102-Y106 PolarHBondContact O-N 2.94Å; T103-Y106 PolarHBondContact O-N 3.2Å; S104-Y106 VanDerWaalsContact C-N 3.29Å; S104-Y106 PolarHBondContact O-N 3.08Å; Y106-H109 PolarHBondContact O-N 3.05Å; Y106-I110 HydrophobicContact CD1-CD1 4.16Å; Y106-I110 HydrophobicContact CE1-CD1 3.49Å; Y106-I110 VanDerWaalsContact CE1-CD1 3.49Å; Y106-I110 HydrophobicContact CE2-CD1 3.95Å; Y106-I110 PolarHBondContact O-N 3.1Å; Y106-I110 VanDerWaalsContact O-N 3.11Å; Y106-I110 WeakPolarHBondContact OH-CD1 3.29Å; Y106-P336 HydrophobicContact CD1-CB 3.76Å; Y106-P336 HydrophobicContact CE1-CB 4.25Å; Y106-G337 VanDerWaalsContact CZ-CA 3.41Å; Y106-S343 WeakPolarHBondContact OH-CA 3.49Å; Y106-S343 PolarHBondContact OH-N 2.75Å; Y106-S343 VanDerWaalsContact OH-N 3.13Å; Y106-S343 PolarHBondContact OH-OG 3.13Å
107L91.3Very high85.4Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-61.1-48.9178.2-71175.8000111.9V94 T103 S104 H109 I110 I111 I148 E150 F180 P336 L346V94-L107 HydrophobicContact CG1-CD1 4.23Å; T103-L107 PolarHBondContact O-N 3.19Å; S104-L107 PolarHBondContact O-N 3.46Å; L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 3.35Å; L107-I110 PolarHBondContact O-N 3.25Å; L107-I111 WeakPolarHBondContact O-CD1 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.27Å; L107-I111 PolarHBondContact O-N 3.25Å; L107-I111 VanDerWaalsContact O-N 3.12Å; L107-I148 HydrophobicContact CD1-CG2 4.09Å; L107-I148 HydrophobicContact CD2-CG2 4.44Å; L107-E150 HydrophobicContact CD1-CB 4.15Å; L107-E150 HydrophobicContact CD1-CG 4.41Å; L107-F180 HydrophobicContact CD1-CE2 4.41Å; L107-F180 HydrophobicContact CD2-CD2 4.44Å; L107-F180 HydrophobicContact CD2-CE2 3.61Å; L107-F180 HydrophobicContact CD2-CZ 3.84Å; L107-P336 HydrophobicContact CD1-CB 4.19Å; L107-P336 HydrophobicContact CD1-CG 3.8Å; L107-P336 HydrophobicContact CD2-CB 3.86Å; L107-P336 HydrophobicContact CD2-CG 4.18Å; L107-P336 HydrophobicContact CG-CB 3.75Å; L107-P336 HydrophobicContact CG-CG 3.94Å; L107-L346 HydrophobicContact CD2-CD2 3.69Å
108V90Very high85.8Confident19 Ų1943.1 Ų43.112%0.11522%0.221CC..Hα-helixtrans-63.3-37.5-179.6173.40000110.9S104 I111 K112 V120S104-V108 WeakPolarHBondContact O-CB 3.22Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.48Å; S104-V108 PolarHBondContact O-N 2.79Å; V108-I111 PolarHBondContact O-N 3.34Å; V108-K112 HydrophobicContact CG1-CD 4Å; V108-K112 HydrophobicContact CG1-CG 4.35Å; V108-K112 WeakPolarHBondContact O-CB 3.4Å; V108-K112 VanDerWaalsContact O-CG 3.27Å; V108-K112 WeakPolarHBondContact O-CG 3.38Å; V108-K112 PolarHBondContact O-N 3.16Å; V108-V120 HydrophobicContact CG1-CG2 4.45Å; V108-V120 HydrophobicContact CG2-CG1 4.27Å; V108-V120 HydrophobicContact CG2-CG2 3.54Å
109H86.4Confident86.2Confident44 Ų4443.4 Ų43.420%0.20422%0.217CC..Hα-helixtrans-60.8-50.6175.7175.473.6000111.6R105 Y106 L107 I111 K112 V113 S545R105-H109 WeakPolarHBondContact O-CB 3.38Å; R105-H109 PolarHBondContact O-N 3.44Å; Y106-H109 PolarHBondContact O-N 3.05Å; L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 3.35Å; H109-I111 VanDerWaalsContact C-N 3.34Å; H109-I111 PolarHBondContact O-N 3.28Å; H109-K112 WeakPolarHBondContact O-CB 3.24Å; H109-K112 PolarHBondContact O-N 2.72Å; H109-K112 VanDerWaalsContact O-N 3.16Å; H109-V113 WeakPolarHBondContact O-CG2 3.33Å; H109-V113 PolarHBondContact O-N 2.87Å; H109-S545 PolarHBondContact CE1-O 2.91Å; H109-S545 VanDerWaalsContact CE1-O 3.23Å
110I88.3Confident86.9Confident0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-57.5-46.9178.1-69.9174.8000111.1Y106 L107 K112 V113 L114 L346 F598Y106-I110 HydrophobicContact CD1-CD1 4.16Å; Y106-I110 HydrophobicContact CE1-CD1 3.49Å; Y106-I110 VanDerWaalsContact CE1-CD1 3.49Å; Y106-I110 HydrophobicContact CE2-CD1 3.95Å; Y106-I110 PolarHBondContact O-N 3.1Å; Y106-I110 VanDerWaalsContact O-N 3.11Å; Y106-I110 WeakPolarHBondContact OH-CD1 3.29Å; L107-I110 PolarHBondContact O-N 3.25Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 3.39Å; I110-V113 PolarHBondContact O-N 3.28Å; I110-L114 HydrophobicContact CG2-CD1 4.03Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.27Å; I110-L114 PolarHBondContact O-N 2.96Å; I110-L346 HydrophobicContact CB-CD2 4.44Å; I110-L346 HydrophobicContact CD1-CD2 3.92Å; I110-L346 HydrophobicContact CG2-CD2 4.14Å; I110-F598 HydrophobicContact CB-CZ 4.48Å; I110-F598 HydrophobicContact CD1-CZ 4.38Å; I110-F598 HydrophobicContact CG1-CE2 4.25Å; I110-F598 HydrophobicContact CG1-CZ 4.03Å; I110-F598 HydrophobicContact CG2-CE1 4.08Å; I110-F598 HydrophobicContact CG2-CZ 3.88Å
111I90.5Very high87.4Confident0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-63.8-36.8-179.3-62.4164.2000111.6I92 V94 L107 V108 H109 L114 L115 I116 H118 I148I92-I111 HydrophobicContact CG2-CD1 4.25Å; V94-I111 HydrophobicContact CG2-CD1 3.36Å; L107-I111 WeakPolarHBondContact O-CD1 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.27Å; L107-I111 PolarHBondContact O-N 3.25Å; L107-I111 VanDerWaalsContact O-N 3.12Å; V108-I111 PolarHBondContact O-N 3.34Å; H109-I111 VanDerWaalsContact C-N 3.34Å; H109-I111 PolarHBondContact O-N 3.28Å; I111-L114 PolarHBondContact O-N 3.32Å; I111-L115 PolarHBondContact O-N 2.94Å; I111-I116 HydrophobicContact CG2-CB 4.03Å; I111-I116 HydrophobicContact CG2-CG2 4.4Å; I111-I116 PolarHBondContact O-N 3.25Å; I111-H118 HydrophobicContact CG2-CB 3.66Å; I111-I148 HydrophobicContact CD1-CD1 3.96Å
112K86.1Confident87.6Confident118 Ų11836 Ų3651%0.51318%0.18SC..Hα-helixtrans-66.3-45.3175.6-80.1177.7175.9-173.90112.5V108 H109 I110 L114 L115V108-K112 HydrophobicContact CG1-CD 4Å; V108-K112 HydrophobicContact CG1-CG 4.35Å; V108-K112 WeakPolarHBondContact O-CB 3.4Å; V108-K112 VanDerWaalsContact O-CG 3.27Å; V108-K112 WeakPolarHBondContact O-CG 3.38Å; V108-K112 PolarHBondContact O-N 3.16Å; H109-K112 WeakPolarHBondContact O-CB 3.24Å; H109-K112 PolarHBondContact O-N 2.72Å; H109-K112 VanDerWaalsContact O-N 3.16Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 3.39Å; K112-L114 PolarHBondContact O-N 3.04Å; K112-L115 WeakPolarHBondContact O-CA 3.33Å; K112-L115 PolarHBondContact O-N 2.56Å
113V83.2Confident87.4Confident9 Ų932.2 Ų32.26%0.05516%0.155CC..Hα-helixtrans-65-30.4177.4-176.80000110.4H109 I110 L115 F598H109-V113 WeakPolarHBondContact O-CG2 3.33Å; H109-V113 PolarHBondContact O-N 2.87Å; I110-V113 PolarHBondContact O-N 3.28Å; V113-L115 PolarHBondContact O-N 3.24Å; V113-F598 HydrophobicContact CB-CB 4.37Å; V113-F598 HydrophobicContact CG1-CB 3.36Å; V113-F598 HydrophobicContact CG1-CD2 4.11Å; V113-F598 HydrophobicContact CG1-CG 3.99Å
114L85.6Confident86.8Confident7 Ų735.8 Ų35.84%0.03717%0.173CC..THydrogen-bonded Turntrans-72.1-3.5170.9-65.4175.5000114.7I110 I111 K112 I116 L347 I350 P362 F598I110-L114 HydrophobicContact CG2-CD1 4.03Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.27Å; I110-L114 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 3.32Å; K112-L114 PolarHBondContact O-N 3.04Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.85Å; L114-I116 HydrophobicContact CD1-CD1 4.03Å; L114-I116 HydrophobicContact CG-CD1 4.5Å; L114-I116 PolarHBondContact O-N 3.38Å; L114-L347 HydrophobicContact CD1-CD1 3.97Å; L114-L347 HydrophobicContact CD2-CD1 3.54Å; L114-L347 HydrophobicContact CG-CD1 4.4Å; L114-I350 HydrophobicContact CD1-CD1 3.94Å; L114-P362 HydrophobicContact CB-CG 4.24Å; L114-P362 HydrophobicContact CD2-CG 3.65Å; L114-P362 WeakPolarHBondContact O-CB 3.35Å; L114-F598 HydrophobicContact CD2-CD1 3.74Å; L114-F598 HydrophobicContact CD2-CE1 4.3Å; L114-F598 HydrophobicContact CG-CD1 4.34Å
115L83.2Confident85.6Confident36 Ų3643.9 Ų43.919%0.18821%0.21CC..THydrogen-bonded Turntrans55.531.1-178.4-60173.7000113.2I111 K112 V113 P362 P363 F547 F652 Y655I111-L115 PolarHBondContact O-N 2.94Å; K112-L115 WeakPolarHBondContact O-CA 3.33Å; K112-L115 PolarHBondContact O-N 2.56Å; V113-L115 PolarHBondContact O-N 3.24Å; L115-P362 HydrophobicContact CB-CB 4.34Å; L115-P362 HydrophobicContact CD1-CB 4.2Å; L115-P362 HydrophobicContact CG-CB 4.36Å; L115-P363 HydrophobicContact CB-CB 4.42Å; L115-P363 HydrophobicContact CD1-CB 3.88Å; L115-P363 HydrophobicContact CD1-CG 4.43Å; L115-F547 HydrophobicContact CD1-CE2 4.47Å; L115-F547 HydrophobicContact CD1-CZ 4.42Å; L115-F547 HydrophobicContact CD2-CD1 4.48Å; L115-F652 HydrophobicContact CD1-CD1 4.3Å; L115-F652 HydrophobicContact CD1-CE1 3.94Å; L115-Y655 HydrophobicContact CB-CE1 3.73Å; L115-Y655 HydrophobicContact CD1-CD1 3.96Å; L115-Y655 HydrophobicContact CD1-CE1 3.8Å; L115-Y655 HydrophobicContact CD1-CG 4.43Å; L115-Y655 HydrophobicContact CD2-CD1 4.24Å; L115-Y655 HydrophobicContact CD2-CE1 4.07Å; L115-Y655 HydrophobicContact CG-CE1 4.08Å; L115-Y655 PolarHBondContact O-OH 3.42Å
116I86.3Confident84.6Confident13 Ų1340.8 Ų40.87%0.06722%0.216CC..  trans-91.9129.8-179.2-61.5169.4000110I92 I111 L114 H118 I350 F358I92-I116 HydrophobicContact CB-CG2 4.44Å; I92-I116 HydrophobicContact CD1-CB 4.49Å; I92-I116 HydrophobicContact CD1-CD1 4Å; I92-I116 HydrophobicContact CD1-CG2 3.7Å; I92-I116 HydrophobicContact CG1-CG2 3.72Å; I111-I116 HydrophobicContact CG2-CB 4.03Å; I111-I116 HydrophobicContact CG2-CG2 4.4Å; I111-I116 PolarHBondContact O-N 3.25Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.85Å; L114-I116 HydrophobicContact CD1-CD1 4.03Å; L114-I116 HydrophobicContact CG-CD1 4.5Å; L114-I116 PolarHBondContact O-N 3.38Å; I116-H118 PolarHBondContact O-N 2.97Å; I116-H118 PolarHBondContact O-ND1 3.19Å; I116-I350 HydrophobicContact CD1-CG2 3.73Å; I116-F358 HydrophobicContact CD1-CB 3.95Å; I116-F358 HydrophobicContact CD1-CD1 4.14Å; I116-F358 HydrophobicContact CD1-CD2 4.05Å; I116-F358 HydrophobicContact CD1-CG 3.79Å; I116-F358 HydrophobicContact CG1-CD1 4Å; I116-F358 HydrophobicContact CG1-CE1 4.38Å; I116-F358 HydrophobicContact CG1-CG 4.18Å; I116-F358 HydrophobicContact CG2-CD1 4.09Å; I116-F358 HydrophobicContact CG2-CD2 4.39Å; I116-F358 HydrophobicContact CG2-CE1 3.63Å; I116-F358 HydrophobicContact CG2-CE2 3.98Å; I116-F358 HydrophobicContact CG2-CG 4.47Å; I116-F358 HydrophobicContact CG2-CZ 3.57Å
117P87.4Confident83.8Confident27 Ų2742.9 Ų42.918%0.17523%0.227CC..  trans-59.8133.2171.7-22.835.8000110.7K89 S90 S91 I92K89-P117 HydrophobicContact CD-CB 3.92Å; K89-P117 HydrophobicContact CD-CG 3.61Å; K89-P117 HydrophobicContact CG-CB 4.41Å; K89-P117 HydrophobicContact CG-CG 3.87Å; S90-P117 WeakPolarHBondContact O-CG 3.38Å; S91-P117 CarbonylContact C-O 3.44Å; S91-P117 WeakPolarHBondContact CA-O 3.35Å; S91-P117 VanDerWaalsContact CB-O 3.27Å; S91-P117 WeakPolarHBondContact CB-O 3.44Å; I92-P117 PolarHBondContact N-O 2.83Å
118H92.4Very high82.8Confident51 Ų5143.8 Ų43.824%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-149.3155.1-174.162.1-80.4000113.9I92 I111 I116I92-H118 HydrophobicContact CB-CB 4.46Å; I92-H118 CarbonylContact O-C 3.5Å; I92-H118 WeakPolarHBondContact O-CA 3.37Å; I92-H118 WeakPolarHBondContact O-CB 3.35Å; I111-H118 HydrophobicContact CG2-CB 3.66Å; I116-H118 PolarHBondContact O-N 2.97Å; I116-H118 PolarHBondContact O-ND1 3.19Å
119H91.3Very high82.1Confident52 Ų5246.1 Ų46.124%0.24125%0.248CC..EExtended strand (participates in β ladder)trans-119.6127.9174.6-62.7-85.3000109.6I92 V93 V94 I138 E142I92-H119 PolarHBondContact O-N 3.49Å; V93-H119 HydrophobicContact CG2-CB 4.31Å; V94-H119 PolarHBondContact N-O 3.47Å; H119-I138 HydrophobicContact CB-CD1 4.06Å; H119-E142 IonicContact CD2-OE2 3.77Å; H119-E142 IonicContact CE1-OE1 3.7Å; H119-E142 IonicContact CE1-OE2 3.64Å; H119-E142 VanDerWaalsContact NE2-CD 3.29Å; H119-E142 IonicContact NE2-OE1 2.85Å; H119-E142 PolarHBondContact NE2-OE1 3.28Å; H119-E142 IonicContact NE2-OE2 3.71Å; H119-E142 PolarHBondContact NE2-OE2 3.4Å
120V91Very high81.8Confident39 Ų3950.4 Ų50.424%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-106.8110.8176.2-172.10000109.3V94 T96 K99 V108V94-V120 WeakPolarHBondContact O-CA 3.42Å; T96-V120 HydrophobicContact CG2-CG1 3.8Å; K99-V120 HydrophobicContact CG-CG1 4.47Å; V108-V120 HydrophobicContact CG1-CG2 4.45Å; V108-V120 HydrophobicContact CG2-CG1 4.27Å; V108-V120 HydrophobicContact CG2-CG2 3.54Å
121I88.9Confident81.5Confident18 Ų1850.5 Ų50.59%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-108.4107.7-178.2-56.7166.6000107.8V93 V94 F95 T96 M123 L134 I138V93-I121 HydrophobicContact CG1-CD1 3.46Å; V93-I121 VanDerWaalsContact CG1-CD1 3.46Å; V93-I121 HydrophobicContact CG1-CG1 4.3Å; V94-I121 PolarHBondContact O-N 3.22Å; F95-I121 WeakPolarHBondContact CA-O 3.43Å; F95-I121 HydrophobicContact CD1-CB 3.78Å; F95-I121 HydrophobicContact CD1-CD1 4.28Å; F95-I121 HydrophobicContact CD1-CG2 3.88Å; F95-I121 HydrophobicContact CE1-CB 3.9Å; F95-I121 HydrophobicContact CE1-CD1 3.63Å; F95-I121 HydrophobicContact CE1-CG1 4.39Å; F95-I121 HydrophobicContact CE1-CG2 3.8Å; F95-I121 HydrophobicContact CZ-CD1 3.97Å; T96-I121 PolarHBondContact N-O 3.36Å; I121-M123 HydrophobicContact CG2-CG 4.31Å; I121-L134 HydrophobicContact CB-CD2 4.28Å; I121-L134 HydrophobicContact CD1-CD2 3.46Å; I121-L134 VanDerWaalsContact CD1-CD2 3.46Å; I121-L134 HydrophobicContact CD1-CG 3.85Å; I121-L134 HydrophobicContact CG1-CD2 3.8Å; I121-L134 HydrophobicContact CG2-CD2 3.48Å; I121-L134 VanDerWaalsContact CG2-CD2 3.48Å; I121-I138 HydrophobicContact CD1-CD1 4.18Å
122S86.1Confident81.1Confident36 Ų3651.4 Ų51.425%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-72.7129168.6-153.70000108.1T96 L97 S98 Q127T96-S122 CarbonylContact O-C 3.42Å; T96-S122 WeakPolarHBondContact O-CA 3.44Å; L97-S122 PolarHBondContact O-OG 2.93Å; S98-S122 WeakPolarHBondContact CA-OG 3.21Å; S122-Q127 PolarHBondContact O-OE1 2.85Å
123M78.8Confident80.9Confident14 Ų1451 Ų517%0.06928%0.277CS..  trans-110124.5178.5-62.3-121.372.400110.4F95 T96 I121 Q127 L128 I131 I154F95-M123 HydrophobicContact CB-CG 4.39Å; F95-M123 HydrophobicContact CD1-CG 3.51Å; F95-M123 HydrophobicContact CD1-SD 3.47Å; F95-M123 WeakPolarHBondContact CD1-SD 3.17Å; F95-M123 HydrophobicContact CE1-CG 4.24Å; F95-M123 HydrophobicContact CE1-SD 3.67Å; F95-M123 HydrophobicContact CG-CG 4.36Å; F95-M123 HydrophobicContact CG-SD 4.4Å; T96-M123 PolarHBondContact O-N 3.37Å; I121-M123 HydrophobicContact CG2-CG 4.31Å; M123-Q127 HydrophobicContact CE-CB 3.78Å; M123-Q127 WeakPolarHBondContact CE-O 3.48Å; M123-L128 HydrophobicContact CB-CD2 4.38Å; M123-L128 HydrophobicContact CE-CD2 4.1Å; M123-L128 HydrophobicContact SD-CD2 3.77Å; M123-I131 HydrophobicContact CE-CD1 3.9Å; M123-I131 HydrophobicContact CE-CG1 3.49Å; M123-I131 VanDerWaalsContact CE-CG1 3.49Å; M123-I131 HydrophobicContact SD-CD1 3.47Å; M123-I131 WeakPolarHBondContact SD-CD1 3.16Å; M123-I131 HydrophobicContact SD-CG1 3.61Å; M123-I154 HydrophobicContact SD-CG2 4.45Å
124N73.5Confident80.9Confident85 Ų8553.8 Ų53.846%0.45529%0.291SS..  trans-103.6166.5156.866.825.9000109.9A126 Q127N124-A126 PolarHBondContact O-N 3Å; N124-A126 VanDerWaalsContact O-N 3.16Å; N124-A126 PolarHBondContact OD1-N 3.4Å; N124-Q127 PolarHBondContact O-N 2.89Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.22Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.32Å; N124-Q127 PolarHBondContact OD1-N 3.5Å; N124-Q127 PolarHBondContact OD1-OE1 2.9Å
125H64Low80.8Confident170 Ų17053.4 Ų53.479%0.78729%0.289SS*.G310 helixtrans-53.8-36.1179.3-90-72.9000113.3Q127 L128H125-Q127 VanDerWaalsContact C-N 3.29Å; H125-Q127 PolarHBondContact O-N 2.93Å; H125-L128 PolarHBondContact O-N 3.04Å
126A65.3Low80.8Confident78 Ų7855.1 Ų55.165%0.64530%0.298SS*.G310 helixtrans-69.7-22.5179.900000113.9N124 S129N124-A126 PolarHBondContact O-N 3Å; N124-A126 VanDerWaalsContact O-N 3.16Å; N124-A126 PolarHBondContact OD1-N 3.4Å; A126-S129 PolarHBondContact O-OG 2.92Å
127Q71.2Confident80.5Confident85 Ų8557.6 Ų57.640%0.39732%0.317SS..G310 helixtrans-90.8-13.1-178.9-75.3170.9-3000113.6S122 M123 N124 H125 S129 K130S122-Q127 PolarHBondContact O-OE1 2.85Å; M123-Q127 HydrophobicContact CE-CB 3.78Å; M123-Q127 WeakPolarHBondContact CE-O 3.48Å; N124-Q127 PolarHBondContact O-N 2.89Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.22Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.32Å; N124-Q127 PolarHBondContact OD1-N 3.5Å; N124-Q127 PolarHBondContact OD1-OE1 2.9Å; H125-Q127 VanDerWaalsContact C-N 3.29Å; H125-Q127 PolarHBondContact O-N 2.93Å; Q127-S129 PolarHBondContact O-N 3.19Å; Q127-K130 PolarHBondContact O-N 2.97Å
128L70.3Confident80.2Confident18 Ų1857 Ų579%0.09431%0.312CS..G310 helixtrans-58.7-31.7-179.4-64.4176.2000112.7M123 H125 K130 I131 I154 L158M123-L128 HydrophobicContact CB-CD2 4.38Å; M123-L128 HydrophobicContact CE-CD2 4.1Å; M123-L128 HydrophobicContact SD-CD2 3.77Å; H125-L128 PolarHBondContact O-N 3.04Å; L128-K130 PolarHBondContact O-N 2.92Å; L128-I131 HydrophobicContact CD2-CD1 3.98Å; L128-I131 WeakPolarHBondContact O-CG1 3.38Å; L128-I154 HydrophobicContact CD2-CG2 3.77Å; L128-L158 HydrophobicContact CB-CD2 4.35Å; L128-L158 HydrophobicContact CD2-CD2 3.95Å
129S74.4Confident79.6Confident68 Ų6856.4 Ų56.448%0.47631%0.314SS..G310 helixtrans-66.7-18.8177.958.70000114A126 Q127A126-S129 PolarHBondContact O-OG 2.92Å; Q127-S129 PolarHBondContact O-N 3.19Å
130K79.7Confident78.7Confident134 Ų13461.5 Ų61.558%0.58334%0.338SS*.G310 helixtrans-105.27-174.5-60.9-174.5179.4-1770114.2Q127 L128 S132 D133 L134Q127-K130 PolarHBondContact O-N 2.97Å; L128-K130 PolarHBondContact O-N 2.92Å; K130-S132 VanDerWaalsContact C-N 3.35Å; K130-S132 PolarHBondContact O-N 2.87Å; K130-D133 PolarHBondContact O-N 2.95Å; K130-L134 PolarHBondContact O-N 2.9Å
131I83.3Confident77.7Confident2 Ų265.2 Ų65.21%0.0135%0.352CS..Hα-helixtrans-58.1-47-176.3-70.1172.8000111.4F95 M123 L128 D133 L134 L135 L158F95-I131 HydrophobicContact CE1-CG1 4.48Å; F95-I131 HydrophobicContact CE1-CG2 4.47Å; F95-I131 HydrophobicContact CZ-CG2 3.96Å; M123-I131 HydrophobicContact CE-CD1 3.9Å; M123-I131 HydrophobicContact CE-CG1 3.49Å; M123-I131 VanDerWaalsContact CE-CG1 3.49Å; M123-I131 HydrophobicContact SD-CD1 3.47Å; M123-I131 WeakPolarHBondContact SD-CD1 3.16Å; M123-I131 HydrophobicContact SD-CG1 3.61Å; L128-I131 HydrophobicContact CD2-CD1 3.98Å; L128-I131 WeakPolarHBondContact O-CG1 3.38Å; I131-D133 VanDerWaalsContact C-N 3.32Å; I131-D133 PolarHBondContact O-N 3.35Å; I131-L134 PolarHBondContact O-N 2.87Å; I131-L135 HydrophobicContact CG2-CD1 3.68Å; I131-L135 HydrophobicContact CG2-CG 4.23Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 3Å; I131-L158 HydrophobicContact CD1-CD1 4.36Å; I131-L158 HydrophobicContact CD1-CD2 3.39Å
132S80.8Confident77.4Confident19 Ų1966.1 Ų66.113%0.13336%0.356CS..Hα-helixtrans-60.8-42.8-179-172.80000111.5K130 L134 L135 N136K130-S132 VanDerWaalsContact C-N 3.35Å; K130-S132 PolarHBondContact O-N 2.87Å; S132-L134 PolarHBondContact O-N 2.98Å; S132-L135 PolarHBondContact O-N 3.15Å; S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.23Å; S132-N136 PolarHBondContact O-N 2.78Å; S132-N136 PolarHBondContact O-ND2 3.36Å; S132-N136 VanDerWaalsContact O-ND2 3.15Å; S132-N136 PolarHBondContact OG-ND2 2.92Å
133D81.8Confident77.4Confident110 Ų11067.9 Ų67.959%0.58836%0.357SS*.Hα-helixtrans-64.3-42.4179.5-61.5-26000111.5K130 I131 N136 S137K130-D133 PolarHBondContact O-N 2.95Å; I131-D133 VanDerWaalsContact C-N 3.32Å; I131-D133 PolarHBondContact O-N 3.35Å; D133-N136 PolarHBondContact O-N 2.57Å; D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 2.92Å
134L82.8Confident78Confident67 Ų6767.5 Ų67.535%0.35136%0.355SS..Hα-helixtrans-65.2-44.7178.9-177.556000111.8I121 K130 I131 S132 S137 I138I121-L134 HydrophobicContact CB-CD2 4.28Å; I121-L134 HydrophobicContact CD1-CD2 3.46Å; I121-L134 VanDerWaalsContact CD1-CD2 3.46Å; I121-L134 HydrophobicContact CD1-CG 3.85Å; I121-L134 HydrophobicContact CG1-CD2 3.8Å; I121-L134 HydrophobicContact CG2-CD2 3.48Å; I121-L134 VanDerWaalsContact CG2-CD2 3.48Å; K130-L134 PolarHBondContact O-N 2.9Å; I131-L134 PolarHBondContact O-N 2.87Å; S132-L134 PolarHBondContact O-N 2.98Å; L134-S137 WeakPolarHBondContact O-CB 3.28Å; L134-S137 PolarHBondContact O-N 3.44Å; L134-I138 HydrophobicContact CG-CD1 4.49Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.15Å
135L85.3Confident78.9Confident0 Ų065.5 Ų65.50%034%0.342CS..Hα-helixtrans-68.4-37.8177.2-67.1175.8000112.1V93 F95 I131 S132 S137 I138 S139 I144 I147 L166 L169V93-L135 HydrophobicContact CB-CD2 4.43Å; V93-L135 HydrophobicContact CG1-CD2 4.02Å; V93-L135 HydrophobicContact CG2-CD2 4.14Å; F95-L135 HydrophobicContact CE2-CD2 4.39Å; F95-L135 HydrophobicContact CZ-CD1 4.27Å; F95-L135 HydrophobicContact CZ-CD2 3.99Å; F95-L135 HydrophobicContact CZ-CG 4.29Å; I131-L135 HydrophobicContact CG2-CD1 3.68Å; I131-L135 HydrophobicContact CG2-CG 4.23Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 3Å; S132-L135 PolarHBondContact O-N 3.15Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-I138 PolarHBondContact O-N 3.06Å; L135-S139 VanDerWaalsContact O-CB 3.28Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 2.88Å; L135-S139 PolarHBondContact O-OG 3.17Å; L135-I144 HydrophobicContact CB-CD1 4.42Å; L135-I144 HydrophobicContact CD2-CD1 3.87Å; L135-I147 HydrophobicContact CD1-CD1 4.29Å; L135-L166 HydrophobicContact CD1-CD1 3.46Å; L135-L166 VanDerWaalsContact CD1-CD1 3.46Å; L135-L169 HydrophobicContact CB-CD2 3.78Å; L135-L169 HydrophobicContact CD1-CD2 3.81Å; L135-L169 HydrophobicContact CG-CD2 4.38Å
136N82.2Confident80.5Confident71 Ų7157.4 Ų57.438%0.3830%0.304SS..Hα-helixtrans-63.2-40.9173.4-76.1-26.8000111S132 D133 I138 S139 Q140S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.23Å; S132-N136 PolarHBondContact O-N 2.78Å; S132-N136 PolarHBondContact O-ND2 3.36Å; S132-N136 VanDerWaalsContact O-ND2 3.15Å; S132-N136 PolarHBondContact OG-ND2 2.92Å; D133-N136 PolarHBondContact O-N 2.57Å; N136-I138 PolarHBondContact O-N 3.06Å; N136-S139 PolarHBondContact O-N 2.85Å; N136-Q140 WeakPolarHBondContact O-CG 3.49Å; N136-Q140 PolarHBondContact O-N 3.17Å
137S80.9Confident82Confident66 Ų6653.7 Ų53.746%0.46227%0.273SS..Hα-helixtrans-62.1-41.5175.3-1780000112.2D133 L134 L135D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 2.92Å; L134-S137 WeakPolarHBondContact O-CB 3.28Å; L134-S137 PolarHBondContact O-N 3.44Å; L135-S137 VanDerWaalsContact C-N 3.33Å
138I80.3Confident83.2Confident15 Ų1549.7 Ų49.78%0.07726%0.255CS..Hα-helixtrans-67.5-42175.6-65.5164.9000110.1V93 H119 I121 L134 L135 N136 Q140 E141 E142 I144V93-I138 HydrophobicContact CG2-CD1 4.24Å; H119-I138 HydrophobicContact CB-CD1 4.06Å; I121-I138 HydrophobicContact CD1-CD1 4.18Å; L134-I138 HydrophobicContact CG-CD1 4.49Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.15Å; L135-I138 PolarHBondContact O-N 3.06Å; N136-I138 PolarHBondContact O-N 3.06Å; I138-Q140 PolarHBondContact O-N 3.02Å; I138-Q140 VanDerWaalsContact O-N 3.1Å; I138-E141 PolarHBondContact O-N 2.83Å; I138-E142 HydrophobicContact CG2-CB 4.38Å; I138-E142 PolarHBondContact O-N 3.4Å; I138-I144 HydrophobicContact CB-CD1 4.19Å; I138-I144 HydrophobicContact CG2-CD1 3.92Å; I138-I144 HydrophobicContact CG2-CG1 3.87Å
139S78.6Confident84.4Confident37 Ų3748.9 Ų48.926%0.25925%0.25SS..Hα-helixtrans-65.1-14.1-177.8-59.20000114.2L135 N136 E142L135-S139 VanDerWaalsContact O-CB 3.28Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 2.88Å; L135-S139 PolarHBondContact O-OG 3.17Å; N136-S139 PolarHBondContact O-N 2.85Å; S139-E142 CarbonylContact C-O 3.56Å; S139-E142 VanDerWaalsContact CA-O 3.29Å; S139-E142 WeakPolarHBondContact CA-O 3.22Å
140Q73.1Confident85.3Confident160 Ų16045.7 Ų45.775%0.74823%0.228SC*.THydrogen-bonded Turntrans-75.2-32.3173-75.2176.1-3.200112.8N136 I138N136-Q140 WeakPolarHBondContact O-CG 3.49Å; N136-Q140 PolarHBondContact O-N 3.17Å; I138-Q140 PolarHBondContact O-N 3.02Å; I138-Q140 VanDerWaalsContact O-N 3.1Å
141E71.3Confident85.9Confident117 Ų11740.4 Ų40.455%0.54721%0.206SC..THydrogen-bonded Turntrans-106.2-27.9-175.7-63.1-176.5175.300111.8I138 R897I138-E141 PolarHBondContact O-N 2.83Å; E141-R897 IonicContact OE1-CZ 3.32Å; E141-R897 IonicContact OE1-NH1 3.02Å; E141-R897 PolarHBondContact OE1-NH1 3.4Å; E141-R897 IonicContact OE1-NH2 2.76Å; E141-R897 IonicContact OE2-NH1 3.88Å
142E81.5Confident86.4Confident37 Ų3740.3 Ų40.317%0.17321%0.205CC..SBendtrans-138.4160.7-173-63-175.2-177.400112.7S91 H119 I138 S139S91-E142 WeakPolarHBondContact CB-OE2 3.22Å; S91-E142 PolarHBondContact OG-OE2 2.95Å; H119-E142 IonicContact CD2-OE2 3.77Å; H119-E142 IonicContact CE1-OE1 3.7Å; H119-E142 IonicContact CE1-OE2 3.64Å; H119-E142 VanDerWaalsContact NE2-CD 3.29Å; H119-E142 IonicContact NE2-OE1 2.85Å; H119-E142 PolarHBondContact NE2-OE1 3.28Å; H119-E142 IonicContact NE2-OE2 3.71Å; H119-E142 PolarHBondContact NE2-OE2 3.4Å; I138-E142 HydrophobicContact CG2-CB 4.38Å; I138-E142 PolarHBondContact O-N 3.4Å; S139-E142 CarbonylContact C-O 3.56Å; S139-E142 VanDerWaalsContact CA-O 3.29Å; S139-E142 WeakPolarHBondContact CA-O 3.22Å
143R86.7Confident86.9Confident73 Ų7339.6 Ų39.628%0.27520%0.201SC..EExtended strand (participates in β ladder)trans-102.9103.4176.4-162160.2-175.6-1718111.2C88 K89 S90 S91 R145C88-R143 HydrophobicContact CB-CB 4.32Å; K89-R143 PolarHBondContact O-N 2.8Å; S90-R143 WeakPolarHBondContact CA-O 3.48Å; S91-R143 PolarHBondContact N-O 3.33Å; R143-R145 VanDerWaalsContact CD-CZ 3.45Å; R143-R145 VanDerWaalsContact CD-NH2 3.34Å; R143-R145 VanDerWaalsContact NE-NH1 3.14Å; R143-R145 PolarHBondContact O-N 3Å
144I91.8Very high87.3Confident5 Ų535.2 Ų35.23%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-65.6125.5176.5-55.2171.9000109.1V93 L135 I138 I147 I175V93-I144 HydrophobicContact CG2-CD1 3.87Å; V93-I144 HydrophobicContact CG2-CG1 3.99Å; V93-I144 HydrophobicContact CG2-CG2 3.94Å; L135-I144 HydrophobicContact CB-CD1 4.42Å; L135-I144 HydrophobicContact CD2-CD1 3.87Å; I138-I144 HydrophobicContact CB-CD1 4.19Å; I138-I144 HydrophobicContact CG2-CD1 3.92Å; I138-I144 HydrophobicContact CG2-CG1 3.87Å; I144-I147 HydrophobicContact CG2-CG1 4.01Å; I144-I175 HydrophobicContact CB-CD1 4.18Å; I144-I175 HydrophobicContact CG2-CD1 4.08Å; I144-I175 HydrophobicContact CG2-CG2 4.15Å
145R92.4Very high87.7Confident44 Ų4432.2 Ų32.217%0.16616%0.161CC..EExtended strand (participates in β ladder)trans-106.3-38178.2-61.4-54.4-174.7-179.68.5113.1S90 S91 R143 I175 G176 I357 F358S90-R145 PolarHBondContact OG-NE 2.86Å; S90-R145 VanDerWaalsContact OG-NE 3.08Å; S91-R145 PolarHBondContact O-N 3.14Å; R143-R145 VanDerWaalsContact CD-CZ 3.45Å; R143-R145 VanDerWaalsContact CD-NH2 3.34Å; R143-R145 VanDerWaalsContact NE-NH1 3.14Å; R143-R145 PolarHBondContact O-N 3Å; R145-I175 WeakPolarHBondContact O-CA 3.38Å; R145-G176 PolarHBondContact O-N 2.94Å; R145-I357 HydrophobicContact CG-CG2 4.47Å; R145-F358 HydrophobicContact CB-CE2 3.9Å; R145-F358 HydrophobicContact CB-CZ 4.23Å; R145-F358 HydrophobicContact CG-CE2 4.27Å; R145-F358 HydrophobicContact CG-CZ 4.14Å
146I96.2Very high88Confident0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-137.4139.4-176.4-56.6176.9000109I92 V93 I148 G176 V178 I350 L353 F358I92-I146 WeakPolarHBondContact CA-O 2.9Å; I92-I146 HydrophobicContact CD1-CD1 4.4Å; I92-I146 HydrophobicContact CG1-CB 4.17Å; I92-I146 HydrophobicContact CG2-CB 4.38Å; V93-I146 PolarHBondContact N-O 3.47Å; I146-I148 HydrophobicContact CG2-CG1 3.89Å; I146-G176 CarbonylContact C-O 3.55Å; I146-G176 VanDerWaalsContact CA-O 3.25Å; I146-G176 WeakPolarHBondContact CA-O 3.31Å; I146-V178 HydrophobicContact CG2-CG2 3.86Å; I146-I350 HydrophobicContact CD1-CB 4.31Å; I146-I350 HydrophobicContact CD1-CG1 4.43Å; I146-I350 HydrophobicContact CD1-CG2 4.15Å; I146-I350 WeakPolarHBondContact CD1-O 3.25Å; I146-L353 HydrophobicContact CD1-CB 3.96Å; I146-L353 HydrophobicContact CG1-CB 4.19Å; I146-F358 HydrophobicContact CD1-CD2 4.29Å; I146-F358 HydrophobicContact CD1-CE2 4.46Å
147I96.8Very high88.3Confident0 Ų034.5 Ų34.50%017%0.174CC..EExtended strand (participates in β ladder)trans-112.7125.2167.6-64.5170.8000108.4V93 F95 L135 I144 F149 L166 I175 G176 V177 V178V93-I147 HydrophobicContact CB-CG1 4.33Å; V93-I147 CarbonylContact O-C 3.53Å; V93-I147 WeakPolarHBondContact O-CA 3.43Å; F95-I147 HydrophobicContact CD2-CG2 3.54Å; F95-I147 HydrophobicContact CE2-CG2 3.56Å; L135-I147 HydrophobicContact CD1-CD1 4.29Å; I144-I147 HydrophobicContact CG2-CG1 4.01Å; I147-F149 HydrophobicContact CB-CE2 4.44Å; I147-F149 HydrophobicContact CG2-CD2 4.01Å; I147-F149 HydrophobicContact CG2-CE2 3.41Å; I147-F149 VanDerWaalsContact CG2-CE2 3.41Å; I147-F149 HydrophobicContact CG2-CZ 3.73Å; I147-L166 HydrophobicContact CD1-CD1 3.84Å; I147-I175 HydrophobicContact CB-CG2 4.44Å; I147-I175 HydrophobicContact CD1-CG2 3.96Å; I147-I175 HydrophobicContact CG1-CG2 3.78Å; I147-G176 PolarHBondContact N-O 2.97Å; I147-V177 CarbonylContact O-C 3.43Å; I147-V177 WeakPolarHBondContact O-CA 3.36Å; I147-V178 PolarHBondContact O-N 3.24Å
148I97Very high88.7Confident0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-110.4124.7178.6-53.7-175.6000108.8I92 V93 V94 F95 L107 I111 I146 V178 F180I92-I148 HydrophobicContact CG2-CD1 3.78Å; I92-I148 HydrophobicContact CG2-CG1 3.89Å; V93-I148 PolarHBondContact O-N 3.26Å; V94-I148 CarbonylContact C-O 3.53Å; V94-I148 WeakPolarHBondContact CA-O 3.25Å; V94-I148 HydrophobicContact CG1-CB 4.3Å; V94-I148 HydrophobicContact CG1-CG2 4.43Å; V94-I148 HydrophobicContact CG2-CB 4.38Å; F95-I148 PolarHBondContact N-O 3.03Å; L107-I148 HydrophobicContact CD1-CG2 4.09Å; L107-I148 HydrophobicContact CD2-CG2 4.44Å; I111-I148 HydrophobicContact CD1-CD1 3.96Å; I146-I148 HydrophobicContact CG2-CG1 3.89Å; I148-V178 CarbonylContact C-O 3.58Å; I148-V178 WeakPolarHBondContact CA-O 3.45Å; I148-V178 HydrophobicContact CB-CB 4.36Å; I148-V178 HydrophobicContact CG1-CB 4.02Å; I148-V178 HydrophobicContact CG1-CG2 4.2Å; I148-V178 HydrophobicContact CG2-CB 4.19Å; I148-V178 HydrophobicContact CG2-CG1 4.39Å; I148-F180 HydrophobicContact CG2-CD2 4.48Å; I148-F180 HydrophobicContact CG2-CE2 4.18Å
149F95.2Very high89.1Confident1 Ų133.8 Ų33.80%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-102.1113.8172.1-68.3-87.1000109.7F95 I147 N151 F152 I154 Y155 L166 V177 V178 F180F95-F149 HydrophobicContact CB-CD1 3.78Å; F95-F149 HydrophobicContact CB-CE1 4.03Å; F95-F149 AromaticContact CD2-CD1 3.97Å; F95-F149 HydrophobicContact CD2-CD1 3.97Å; F95-F149 AromaticContact CD2-CE1 3.45Å; F95-F149 HydrophobicContact CD2-CE1 3.45Å; F95-F149 VanDerWaalsContact CD2-CE1 3.45Å; F95-F149 HydrophobicContact CD2-CE2 4.46Å; F95-F149 AromaticContact CD2-CZ 3.73Å; F95-F149 HydrophobicContact CD2-CZ 3.73Å; F95-F149 HydrophobicContact CE2-CE1 4.13Å; F95-F149 HydrophobicContact CE2-CZ 4.09Å; F95-F149 HydrophobicContact CG-CD1 4.18Å; F95-F149 AromaticContact CG-CE1 3.91Å; F95-F149 HydrophobicContact CG-CE1 3.91Å; I147-F149 HydrophobicContact CB-CE2 4.44Å; I147-F149 HydrophobicContact CG2-CD2 4.01Å; I147-F149 HydrophobicContact CG2-CE2 3.41Å; I147-F149 VanDerWaalsContact CG2-CE2 3.41Å; I147-F149 HydrophobicContact CG2-CZ 3.73Å; F149-N151 PolarHBondContact O-N 3.38Å; F149-F152 HydrophobicContact CB-CD2 4.25Å; F149-F152 HydrophobicContact CD2-CD2 4.24Å; F149-F152 HydrophobicContact CD2-CE2 4.49Å; F149-F152 HydrophobicContact CG-CD2 4.43Å; F149-I154 HydrophobicContact CD1-CB 4.28Å; F149-I154 HydrophobicContact CD1-CG2 4.31Å; F149-I154 HydrophobicContact CE1-CG2 4.28Å; F149-Y155 AromaticContact CE2-CD2 3.96Å; F149-Y155 HydrophobicContact CE2-CD2 3.96Å; F149-Y155 HydrophobicContact CE2-CG 4.23Å; F149-Y155 AromaticContact CZ-CD2 3.87Å; F149-Y155 HydrophobicContact CZ-CD2 3.87Å; F149-Y155 HydrophobicContact CZ-CG 4.3Å; F149-L166 HydrophobicContact CZ-CD2 4.02Å; F149-V177 HydrophobicContact CD2-CG1 3.82Å; F149-V177 HydrophobicContact CE2-CG1 3.88Å; F149-V178 PolarHBondContact N-O 3.2Å; F149-F180 PolarHBondContact O-N 3.28Å
150E93.1Very high89.6Confident2 Ų237.5 Ų37.51%0.00919%0.192CC..SBendtrans-57.8-34.6170.1-176.9-169-176.600111.3F95 T96 L97 S101 T103 S104 L107 F180 L182 P336F95-E150 WeakPolarHBondContact O-CB 3.13Å; F95-E150 PolarHBondContact O-N 3.29Å; T96-E150 WeakPolarHBondContact CA-OE2 3.48Å; T96-E150 WeakPolarHBondContact CB-OE2 3.39Å; T96-E150 HydrophobicContact CG2-CB 4.46Å; L97-E150 PolarHBondContact N-OE2 3.44Å; S101-E150 PolarHBondContact OG-OE1 3.47Å; T103-E150 VanDerWaalsContact CB-OE1 3.3Å; T103-E150 WeakPolarHBondContact CB-OE1 3.15Å; T103-E150 PolarHBondContact OG1-OE1 3.45Å; S104-E150 PolarHBondContact N-OE1 2.92Å; L107-E150 HydrophobicContact CD1-CB 4.15Å; L107-E150 HydrophobicContact CD1-CG 4.41Å; E150-F180 WeakPolarHBondContact O-CB 3.45Å; E150-L182 WeakPolarHBondContact O-CD2 3.16Å; E150-P336 HydrophobicContact CG-CG 4.4Å
151N92.3Very high90.4Very high22 Ų2235 Ų3512%0.11818%0.183CC..SBendtrans-130.1106.6171-177-2.1000109.2L97 F149 A153 I154 F180 L182L97-N151 HydrophobicContact CD1-CB 4.11Å; L97-N151 HydrophobicContact CD2-CB 4.19Å; L97-N151 HydrophobicContact CG-CB 4.15Å; F149-N151 PolarHBondContact O-N 3.38Å; N151-A153 PolarHBondContact O-N 3.01Å; N151-A153 WeakPolarHBondContact OD1-CB 3.37Å; N151-A153 PolarHBondContact OD1-N 3.16Å; N151-I154 HydrophobicContact CB-CD1 4.16Å; N151-I154 HydrophobicContact CB-CG1 4.28Å; N151-I154 VanDerWaalsContact O-CB 3.3Å; N151-I154 WeakPolarHBondContact O-CB 3.1Å; N151-I154 WeakPolarHBondContact O-CG1 3.06Å; N151-I154 PolarHBondContact O-N 3.04Å; N151-I154 VanDerWaalsContact O-N 3.08Å; N151-F180 CarbonylContact C-O 3.6Å; N151-F180 WeakPolarHBondContact CA-O 3.1Å; N151-L182 HydrophobicContact CB-CD1 3.73Å; N151-L182 HydrophobicContact CB-CG 4.34Å
152F94.9Very high91.2Very high0 Ų031.1 Ų31.10%017%0.165CC..THydrogen-bonded Turntrans-66.3-18.1-178.2-165.1-112.7000113.1F149 I154 Y155 T156 V177 F180 L181 I197 L200 L331F149-F152 HydrophobicContact CB-CD2 4.25Å; F149-F152 HydrophobicContact CD2-CD2 4.24Å; F149-F152 HydrophobicContact CD2-CE2 4.49Å; F149-F152 HydrophobicContact CG-CD2 4.43Å; F152-I154 PolarHBondContact O-N 3.29Å; F152-Y155 HydrophobicContact CD2-CD1 4.29Å; F152-Y155 HydrophobicContact CD2-CG 4.45Å; F152-Y155 AromaticContact CE1-CD1 3.96Å; F152-Y155 HydrophobicContact CE1-CD1 3.96Å; F152-Y155 AromaticContact CE2-CD1 3.46Å; F152-Y155 HydrophobicContact CE2-CD1 3.46Å; F152-Y155 VanDerWaalsContact CE2-CD1 3.46Å; F152-Y155 HydrophobicContact CE2-CE1 4.16Å; F152-Y155 AromaticContact CE2-CG 3.89Å; F152-Y155 HydrophobicContact CE2-CG 3.89Å; F152-Y155 AromaticContact CZ-CD1 3.27Å; F152-Y155 HydrophobicContact CZ-CD1 3.27Å; F152-Y155 AromaticContact CZ-CE1 3.74Å; F152-Y155 HydrophobicContact CZ-CE1 3.74Å; F152-Y155 HydrophobicContact CZ-CG 4.17Å; F152-Y155 WeakPolarHBondContact O-CB 3.13Å; F152-Y155 PolarHBondContact O-N 3.24Å; F152-T156 HydrophobicContact CD1-CG2 4.01Å; F152-T156 HydrophobicContact CE1-CG2 3.89Å; F152-T156 PolarHBondContact O-N 3.04Å; F152-V177 HydrophobicContact CE2-CG1 3.98Å; F152-F180 WeakPolarHBondContact CB-O 3.29Å; F152-F180 PolarHBondContact N-O 3.13Å; F152-L181 HydrophobicContact CB-CG 4.27Å; F152-I197 HydrophobicContact CD1-CG2 4.04Å; F152-I197 HydrophobicContact CE1-CG2 3.98Å; F152-L200 HydrophobicContact CE1-CD1 3.98Å; F152-L200 HydrophobicContact CZ-CD1 4.27Å; F152-L331 HydrophobicContact CD1-CD2 4.07Å; F152-L331 HydrophobicContact CD2-CD2 4.13Å; F152-L331 HydrophobicContact CE1-CD2 3.85Å; F152-L331 HydrophobicContact CE2-CD2 3.91Å; F152-L331 HydrophobicContact CG-CD2 4.2Å; F152-L331 HydrophobicContact CZ-CD2 3.76Å
153A91.4Very high91.6Very high4 Ų430.4 Ų30.43%0.03316%0.161CC..Hα-helixtrans-59.2-26.7171.800000112.1N151 Y155 T156 N157 F187N151-A153 PolarHBondContact O-N 3.01Å; N151-A153 WeakPolarHBondContact OD1-CB 3.37Å; N151-A153 PolarHBondContact OD1-N 3.16Å; A153-Y155 VanDerWaalsContact C-N 3.32Å; A153-Y155 PolarHBondContact O-N 3.23Å; A153-T156 WeakPolarHBondContact CA-OG1 3.18Å; A153-T156 PolarHBondContact O-N 3.1Å; A153-T156 PolarHBondContact O-OG1 3.25Å; A153-N157 WeakPolarHBondContact O-CB 3.45Å; A153-N157 PolarHBondContact O-N 2.95Å; A153-N157 PolarHBondContact O-ND2 3.19Å; A153-F187 HydrophobicContact CB-CE2 4.41Å; A153-F187 HydrophobicContact CB-CZ 4.16Å
154I89.1Confident91.9Very high19 Ų1931.9 Ų31.910%0.09717%0.174CC..Hα-helixtrans-58-47.3172.8-64.4170.8000110.2L97 M123 L128 F149 N151 F152 L158L97-I154 HydrophobicContact CD2-CD1 3.93Å; L97-I154 HydrophobicContact CD2-CG1 4.47Å; M123-I154 HydrophobicContact SD-CG2 4.45Å; L128-I154 HydrophobicContact CD2-CG2 3.77Å; F149-I154 HydrophobicContact CD1-CB 4.28Å; F149-I154 HydrophobicContact CD1-CG2 4.31Å; F149-I154 HydrophobicContact CE1-CG2 4.28Å; N151-I154 HydrophobicContact CB-CD1 4.16Å; N151-I154 HydrophobicContact CB-CG1 4.28Å; N151-I154 VanDerWaalsContact O-CB 3.3Å; N151-I154 WeakPolarHBondContact O-CB 3.1Å; N151-I154 WeakPolarHBondContact O-CG1 3.06Å; N151-I154 PolarHBondContact O-N 3.04Å; N151-I154 VanDerWaalsContact O-N 3.08Å; F152-I154 PolarHBondContact O-N 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.25Å
155Y91.6Very high91.8Very high3 Ų335.4 Ų35.41%0.01219%0.19CC..Hα-helixtrans-66.5-44.3-179.6174-101.9000111.5F149 F152 A153 N157 L158 L166 D167 R329F149-Y155 AromaticContact CE2-CD2 3.96Å; F149-Y155 HydrophobicContact CE2-CD2 3.96Å; F149-Y155 HydrophobicContact CE2-CG 4.23Å; F149-Y155 AromaticContact CZ-CD2 3.87Å; F149-Y155 HydrophobicContact CZ-CD2 3.87Å; F149-Y155 HydrophobicContact CZ-CG 4.3Å; F152-Y155 HydrophobicContact CD2-CD1 4.29Å; F152-Y155 HydrophobicContact CD2-CG 4.45Å; F152-Y155 AromaticContact CE1-CD1 3.96Å; F152-Y155 HydrophobicContact CE1-CD1 3.96Å; F152-Y155 AromaticContact CE2-CD1 3.46Å; F152-Y155 HydrophobicContact CE2-CD1 3.46Å; F152-Y155 VanDerWaalsContact CE2-CD1 3.46Å; F152-Y155 HydrophobicContact CE2-CE1 4.16Å; F152-Y155 AromaticContact CE2-CG 3.89Å; F152-Y155 HydrophobicContact CE2-CG 3.89Å; F152-Y155 AromaticContact CZ-CD1 3.27Å; F152-Y155 HydrophobicContact CZ-CD1 3.27Å; F152-Y155 AromaticContact CZ-CE1 3.74Å; F152-Y155 HydrophobicContact CZ-CE1 3.74Å; F152-Y155 HydrophobicContact CZ-CG 4.17Å; F152-Y155 WeakPolarHBondContact O-CB 3.13Å; F152-Y155 PolarHBondContact O-N 3.24Å; A153-Y155 VanDerWaalsContact C-N 3.32Å; A153-Y155 PolarHBondContact O-N 3.23Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 3.31Å; Y155-L158 HydrophobicContact CD2-CD1 4.41Å; Y155-L158 PolarHBondContact O-N 2.9Å; Y155-L166 HydrophobicContact CD2-CD2 3.65Å; Y155-L166 HydrophobicContact CE2-CD2 3.77Å; Y155-L166 HydrophobicContact CE2-CG 4.37Å; Y155-D167 WeakPolarHBondContact CE2-OD1 3.48Å; Y155-D167 PolarHBondContact OH-OD1 2.71Å; Y155-R329 PolarHBondContact OH-NH2 3.03Å
156T92Very high91.8Very high17 Ų1733.4 Ų33.410%0.10418%0.183CC..Hα-helixtrans-70.3-28.6-178.959.60000113.3F152 A153 F187 I197F152-T156 HydrophobicContact CD1-CG2 4.01Å; F152-T156 HydrophobicContact CE1-CG2 3.89Å; F152-T156 PolarHBondContact O-N 3.04Å; A153-T156 WeakPolarHBondContact CA-OG1 3.18Å; A153-T156 PolarHBondContact O-N 3.1Å; A153-T156 PolarHBondContact O-OG1 3.25Å; T156-F187 HydrophobicContact CG2-CE1 4.42Å; T156-I197 HydrophobicContact CG2-CG2 3.9Å
157N88.3Confident91.7Very high102 Ų10234.4 Ų34.455%0.54519%0.188SC..THydrogen-bonded Turntrans-968-177.8-60.8-13.8000113A153 Y155A153-N157 WeakPolarHBondContact O-CB 3.45Å; A153-N157 PolarHBondContact O-N 2.95Å; A153-N157 PolarHBondContact O-ND2 3.19Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 3.31Å
158L88.5Confident91.5Very high9 Ų937.7 Ų37.75%0.04721%0.208CC..SBendtrans-58.9140.2171.8-72-178.8000110.1L128 I131 I154 Y155 K163 L166L128-L158 HydrophobicContact CB-CD2 4.35Å; L128-L158 HydrophobicContact CD2-CD2 3.95Å; I131-L158 HydrophobicContact CD1-CD1 4.36Å; I131-L158 HydrophobicContact CD1-CD2 3.39Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.25Å; Y155-L158 HydrophobicContact CD2-CD1 4.41Å; Y155-L158 PolarHBondContact O-N 2.9Å; L158-K163 HydrophobicContact CB-CB 3.92Å; L158-L166 HydrophobicContact CD1-CD2 3.68Å
159P88.6Confident91.1Very high57 Ų5738.4 Ų38.437%0.3721%0.212SC..  trans-60.1148.8172.7-10.521.3000110.2L161 Q162 K163P159-L161 VanDerWaalsContact C-N 3.27Å; P159-L161 PolarHBondContact O-N 2.92Å; P159-L161 VanDerWaalsContact O-N 3.08Å; P159-Q162 VanDerWaalsContact CB-OE1 3.3Å; P159-Q162 PolarHBondContact O-N 3.12Å; P159-Q162 VanDerWaalsContact O-N 3.07Å; P159-K163 PolarHBondContact O-N 3.37Å
160P89.7Confident91Very high116 Ų11638.5 Ų38.575%0.75321%0.213SC*.Hα-helixtrans-53.2-38.7-168-30.235.3000114.9L164P160-L164 WeakPolarHBondContact O-CB 3.48Å; P160-L164 PolarHBondContact O-N 2.85Å
161L89.4Confident91Very high107 Ų10743.2 Ų43.256%0.5623%0.233SC*.Hα-helixtrans-66.6-48.4179.3-17766.2000112.1P159 K163 L164 Q165P159-L161 VanDerWaalsContact C-N 3.27Å; P159-L161 PolarHBondContact O-N 2.92Å; P159-L161 VanDerWaalsContact O-N 3.08Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.23Å; L161-L164 PolarHBondContact O-N 3.5Å; L161-Q165 WeakPolarHBondContact O-CG 3.21Å; L161-Q165 PolarHBondContact O-N 3.17Å
162Q88.3Confident90.7Very high35 Ų3548.9 Ų48.916%0.16426%0.257CS..Hα-helixtrans-65.9-37.7178.9-73.774.314.800111.3P159 Q165 L166P159-Q162 VanDerWaalsContact CB-OE1 3.3Å; P159-Q162 PolarHBondContact O-N 3.12Å; P159-Q162 VanDerWaalsContact O-N 3.07Å; Q162-Q165 PolarHBondContact O-N 3.27Å; Q162-L166 WeakPolarHBondContact O-CB 3.34Å; Q162-L166 PolarHBondContact O-N 3.03Å
163K91.2Very high90.3Very high23 Ų2352.1 Ų52.110%0.127%0.269CS..Hα-helixtrans-60.5-50.4173.2-172178.8177.8-174.10111.1L158 P159 L161 Q165 L166 D167 E199L158-K163 HydrophobicContact CB-CB 3.92Å; P159-K163 PolarHBondContact O-N 3.37Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.23Å; K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 3.46Å; K163-L166 PolarHBondContact O-N 2.87Å; K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 VanDerWaalsContact O-CG 3.24Å; K163-D167 PolarHBondContact O-N 2.89Å; K163-E199 IonicContact NZ-OE2 2.87Å; K163-E199 PolarHBondContact NZ-OE2 2.92Å
164L92.2Very high90.2Very high104 Ų10455.4 Ų55.455%0.54529%0.287SS..Hα-helixtrans-58.2-41177.7178.863.5000112.4P160 L161 T168P160-L164 WeakPolarHBondContact O-CB 3.48Å; P160-L164 PolarHBondContact O-N 2.85Å; L161-L164 PolarHBondContact O-N 3.5Å; L164-T168 VanDerWaalsContact O-CB 3.29Å; L164-T168 WeakPolarHBondContact O-CB 3.34Å; L164-T168 PolarHBondContact O-N 2.83Å; L164-T168 PolarHBondContact O-OG1 3.33Å
165Q90.6Very high90.4Very high78 Ų7854.8 Ų54.836%0.36428%0.283SS..Hα-helixtrans-63.4-47.9176.5-74.2174.8-30.100111.9L161 Q162 K163 T168 L169L161-Q165 WeakPolarHBondContact O-CG 3.21Å; L161-Q165 PolarHBondContact O-N 3.17Å; Q162-Q165 PolarHBondContact O-N 3.27Å; K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 3.46Å; Q165-T168 PolarHBondContact O-N 2.93Å; Q165-L169 PolarHBondContact O-N 2.88Å
166L91.7Very high90.6Very high3 Ų354.7 Ų54.72%0.01628%0.284CS..Hα-helixtrans-61.8-45.2176.8177.359.9000111.5L135 I147 F149 Y155 L158 Q162 K163 T168 L169 C170L135-L166 HydrophobicContact CD1-CD1 3.46Å; L135-L166 VanDerWaalsContact CD1-CD1 3.46Å; I147-L166 HydrophobicContact CD1-CD1 3.84Å; F149-L166 HydrophobicContact CZ-CD2 4.02Å; Y155-L166 HydrophobicContact CD2-CD2 3.65Å; Y155-L166 HydrophobicContact CE2-CD2 3.77Å; Y155-L166 HydrophobicContact CE2-CG 4.37Å; L158-L166 HydrophobicContact CD1-CD2 3.68Å; Q162-L166 WeakPolarHBondContact O-CB 3.34Å; Q162-L166 PolarHBondContact O-N 3.03Å; K163-L166 PolarHBondContact O-N 2.87Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 2.96Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.44Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L166-C170 PolarHBondContact O-N 2.87Å; L166-C170 PolarHBondContact O-SG 2.71Å; L166-C170 VanDerWaalsContact O-SG 3.35Å
167D93.9Very high90.9Very high20 Ų2054 Ų5411%0.10728%0.279CS..Hα-helixtrans-63.5-38.6178.9-71.3-12.5000111.6Y155 K163 C170 K171 I327Y155-D167 WeakPolarHBondContact CE2-OD1 3.48Å; Y155-D167 PolarHBondContact OH-OD1 2.71Å; K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 VanDerWaalsContact O-CG 3.24Å; K163-D167 PolarHBondContact O-N 2.89Å; D167-C170 PolarHBondContact O-N 3.02Å; D167-K171 WeakPolarHBondContact O-CB 3.32Å; D167-K171 VanDerWaalsContact O-CE 3.22Å; D167-K171 WeakPolarHBondContact O-CE 3.37Å; D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 3.34Å; D167-I327 HydrophobicContact CB-CD1 3.68Å; D167-I327 WeakPolarHBondContact OD1-CD1 3.27Å
168T91.9Very high91.4Very high69 Ų6949.1 Ų49.142%0.42325%0.253SS..Hα-helixtrans-63.1-43.1173.8-59.70000111.2L164 Q165 L166 K172L164-T168 VanDerWaalsContact O-CB 3.29Å; L164-T168 WeakPolarHBondContact O-CB 3.34Å; L164-T168 PolarHBondContact O-N 2.83Å; L164-T168 PolarHBondContact O-OG1 3.33Å; Q165-T168 PolarHBondContact O-N 2.93Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 2.96Å; T168-K172 WeakPolarHBondContact O-CB 3.34Å; T168-K172 PolarHBondContact O-N 2.8Å
169L89.2Confident91.8Very high16 Ų1648.7 Ų48.78%0.08425%0.251CS..Hα-helixtrans-60.6-48.3175-172.380.1000111.2L135 Q165 L166 K171 K172 Y173 I175L135-L169 HydrophobicContact CB-CD2 3.78Å; L135-L169 HydrophobicContact CD1-CD2 3.81Å; L135-L169 HydrophobicContact CG-CD2 4.38Å; Q165-L169 PolarHBondContact O-N 2.88Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.44Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L169-K171 PolarHBondContact O-N 2.8Å; L169-K172 PolarHBondContact O-N 2.8Å; L169-Y173 HydrophobicContact CD1-CD2 3.55Å; L169-Y173 HydrophobicContact CD1-CE2 3.48Å; L169-Y173 VanDerWaalsContact CD1-CE2 3.48Å; L169-Y173 HydrophobicContact CG-CD2 4.03Å; L169-Y173 HydrophobicContact CG-CE2 4.44Å; L169-Y173 WeakPolarHBondContact O-CD2 3.35Å; L169-Y173 PolarHBondContact O-N 3.46Å; L169-I175 HydrophobicContact CD2-CD1 4.16Å; L169-I175 HydrophobicContact CG-CD1 4.06Å
170C92.4Very high92.1Very high2 Ų246 Ų461%0.01423%0.233CC..Hα-helixtrans-61.3-45.4-179.9-69.50000112L166 D167 N174 I175 I327L166-C170 PolarHBondContact O-N 2.87Å; L166-C170 PolarHBondContact O-SG 2.71Å; L166-C170 VanDerWaalsContact O-SG 3.35Å; D167-C170 PolarHBondContact O-N 3.02Å; C170-N174 CarbonylContact O-C 3.58Å; C170-N174 WeakPolarHBondContact O-CA 3.39Å; C170-N174 PolarHBondContact O-N 3.28Å; C170-I175 HydrophobicContact CB-CB 4.28Å; C170-I175 PolarHBondContact O-N 2.85Å; C170-I327 HydrophobicContact CB-CD1 4Å; C170-I327 HydrophobicContact CB-CG1 4.1Å; C170-I327 HydrophobicContact CB-CG2 4.25Å
171K93Very high92.4Very high102 Ų10240.4 Ų40.444%0.44320%0.197SC..Hα-helixtrans-64.1-49.2175.6-74.7-180-76-165.40112.3D167 L169 Y173 N174 D325 I327D167-K171 WeakPolarHBondContact O-CB 3.32Å; D167-K171 VanDerWaalsContact O-CE 3.22Å; D167-K171 WeakPolarHBondContact O-CE 3.37Å; D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 3.34Å; L169-K171 PolarHBondContact O-N 2.8Å; K171-Y173 VanDerWaalsContact C-N 3.32Å; K171-Y173 PolarHBondContact O-N 2.84Å; K171-N174 PolarHBondContact O-N 3.05Å; K171-D325 WeakPolarHBondContact CD-O 3.31Å; K171-I327 HydrophobicContact CG-CD1 4.43Å; K171-I327 HydrophobicContact CG-CG1 3.82Å
172K87.4Confident92.4Very high140 Ų14035.9 Ų35.961%0.60917%0.173SC*.Hα-helixtrans-60.3-41.3-176.5-178.8177.5179.6-179.20112.2T168 L169T168-K172 WeakPolarHBondContact O-CB 3.34Å; T168-K172 PolarHBondContact O-N 2.8Å; L169-K172 PolarHBondContact O-N 2.8Å
173Y86.2Confident92.5Very high68 Ų6834.3 Ų34.327%0.26717%0.166SC..Hα-helixtrans-103.74.4-177-61.9-61.6000114L169 K171 I175L169-Y173 HydrophobicContact CD1-CD2 3.55Å; L169-Y173 HydrophobicContact CD1-CE2 3.48Å; L169-Y173 VanDerWaalsContact CD1-CE2 3.48Å; L169-Y173 HydrophobicContact CG-CD2 4.03Å; L169-Y173 HydrophobicContact CG-CE2 4.44Å; L169-Y173 WeakPolarHBondContact O-CD2 3.35Å; L169-Y173 PolarHBondContact O-N 3.46Å; K171-Y173 VanDerWaalsContact C-N 3.32Å; K171-Y173 PolarHBondContact O-N 2.84Å; Y173-I175 VanDerWaalsContact C-N 3.32Å; Y173-I175 PolarHBondContact O-N 3.5Å
174N89.9Confident92.5Very high74 Ų7433.2 Ų33.240%0.39616%0.162SC..THydrogen-bonded Turntrans55.945.8178.8-156.22.2000112.5C170 K171 K355C170-N174 CarbonylContact O-C 3.58Å; C170-N174 WeakPolarHBondContact O-CA 3.39Å; C170-N174 PolarHBondContact O-N 3.28Å; K171-N174 PolarHBondContact O-N 3.05Å; N174-K355 PolarHBondContact ND2-NZ 3.46Å; N174-K355 PolarHBondContact OD1-NZ 2.94Å
175I93.2Very high92.3Very high5 Ų532.9 Ų32.93%0.02616%0.157CC..  trans-80.9124.5-177.2-54.7177.9000108.7I144 R145 I147 L169 C170 Y173I144-I175 HydrophobicContact CB-CD1 4.18Å; I144-I175 HydrophobicContact CG2-CD1 4.08Å; I144-I175 HydrophobicContact CG2-CG2 4.15Å; R145-I175 WeakPolarHBondContact O-CA 3.38Å; I147-I175 HydrophobicContact CB-CG2 4.44Å; I147-I175 HydrophobicContact CD1-CG2 3.96Å; I147-I175 HydrophobicContact CG1-CG2 3.78Å; L169-I175 HydrophobicContact CD2-CD1 4.16Å; L169-I175 HydrophobicContact CG-CD1 4.06Å; C170-I175 HydrophobicContact CB-CB 4.28Å; C170-I175 PolarHBondContact O-N 2.85Å; Y173-I175 VanDerWaalsContact C-N 3.32Å; Y173-I175 PolarHBondContact O-N 3.5Å
176G95.7Very high92.1Very high2 Ų230.7 Ų30.72%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-76.6145.2172.700000111.7R145 I146 I147R145-G176 PolarHBondContact O-N 2.94Å; I146-G176 CarbonylContact C-O 3.55Å; I146-G176 VanDerWaalsContact CA-O 3.25Å; I146-G176 WeakPolarHBondContact CA-O 3.31Å; I147-G176 PolarHBondContact N-O 2.97Å
177V97.7Very high92Very high1 Ų132.8 Ų32.81%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-113.5133.1178.5-179.30000110.7I147 F149 F152 I327 Q328 R329 V330I147-V177 CarbonylContact O-C 3.43Å; I147-V177 WeakPolarHBondContact O-CA 3.36Å; F149-V177 HydrophobicContact CD2-CG1 3.82Å; F149-V177 HydrophobicContact CE2-CG1 3.88Å; F152-V177 HydrophobicContact CE2-CG1 3.98Å; V177-I327 HydrophobicContact CG2-CG2 3.83Å; V177-Q328 PolarHBondContact N-O 2.75Å; V177-R329 HydrophobicContact CB-CB 4.29Å; V177-R329 HydrophobicContact CB-CG 4.06Å; V177-R329 CarbonylContact O-C 3.54Å; V177-R329 WeakPolarHBondContact O-CA 2.93Å; V177-V330 PolarHBondContact O-N 3.42Å
178V98.1Very high91.6Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-112.9128.8170-173.80000108.3I146 I147 I148 F149 F180 V330 F332 L346 T349 L353I146-V178 HydrophobicContact CG2-CG2 3.86Å; I147-V178 PolarHBondContact O-N 3.24Å; I148-V178 CarbonylContact C-O 3.58Å; I148-V178 WeakPolarHBondContact CA-O 3.45Å; I148-V178 HydrophobicContact CB-CB 4.36Å; I148-V178 HydrophobicContact CG1-CB 4.02Å; I148-V178 HydrophobicContact CG1-CG2 4.2Å; I148-V178 HydrophobicContact CG2-CB 4.19Å; I148-V178 HydrophobicContact CG2-CG1 4.39Å; F149-V178 PolarHBondContact N-O 3.2Å; V178-F180 HydrophobicContact CG1-CE2 3.96Å; V178-V330 WeakPolarHBondContact CA-O 3.46Å; V178-F332 HydrophobicContact CG1-CD2 4.06Å; V178-F332 HydrophobicContact CG1-CE2 3.84Å; V178-L346 HydrophobicContact CG1-CD1 4.2Å; V178-T349 HydrophobicContact CG1-CG2 4.3Å; V178-T349 HydrophobicContact CG2-CG2 3.48Å; V178-T349 VanDerWaalsContact CG2-CG2 3.48Å; V178-L353 HydrophobicContact CG2-CD1 3.68Å
179G96.8Very high91.2Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-127.4128.1-178.600000112.2V330 L331 F332G179-V330 PolarHBondContact N-O 2.72Å; G179-L331 CarbonylContact O-C 3.6Å; G179-L331 WeakPolarHBondContact O-CA 3.46Å; G179-F332 PolarHBondContact O-N 3.28Å
180F96Very high91.1Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-101.6129.9168.5-67.6-95.3000110L107 I148 F149 E150 N151 F152 V178 F332 F334 P336 L346L107-F180 HydrophobicContact CD1-CE2 4.41Å; L107-F180 HydrophobicContact CD2-CD2 4.44Å; L107-F180 HydrophobicContact CD2-CE2 3.61Å; L107-F180 HydrophobicContact CD2-CZ 3.84Å; I148-F180 HydrophobicContact CG2-CD2 4.48Å; I148-F180 HydrophobicContact CG2-CE2 4.18Å; F149-F180 PolarHBondContact O-N 3.28Å; E150-F180 WeakPolarHBondContact O-CB 3.45Å; N151-F180 CarbonylContact C-O 3.6Å; N151-F180 WeakPolarHBondContact CA-O 3.1Å; F152-F180 WeakPolarHBondContact CB-O 3.29Å; F152-F180 PolarHBondContact N-O 3.13Å; V178-F180 HydrophobicContact CG1-CE2 3.96Å; F180-F332 WeakPolarHBondContact CA-O 3.41Å; F180-F332 HydrophobicContact CD1-CB 3.46Å; F180-F332 VanDerWaalsContact CD1-CB 3.46Å; F180-F332 HydrophobicContact CD1-CD2 4.33Å; F180-F332 AromaticContact CD1-CG 3.89Å; F180-F332 HydrophobicContact CD1-CG 3.89Å; F180-F332 HydrophobicContact CE1-CB 3.7Å; F180-F332 AromaticContact CE1-CD1 3.89Å; F180-F332 HydrophobicContact CE1-CD1 3.89Å; F180-F332 AromaticContact CE1-CD2 3.92Å; F180-F332 HydrophobicContact CE1-CD2 3.92Å; F180-F332 AromaticContact CE1-CG 3.56Å; F180-F332 HydrophobicContact CE1-CG 3.56Å; F180-F332 HydrophobicContact CE2-CD2 4.41Å; F180-F332 HydrophobicContact CG-CB 4.15Å; F180-F332 HydrophobicContact CZ-CD1 4.47Å; F180-F332 AromaticContact CZ-CD2 3.96Å; F180-F332 HydrophobicContact CZ-CD2 3.96Å; F180-F332 HydrophobicContact CZ-CE2 4.28Å; F180-F332 HydrophobicContact CZ-CG 4.08Å; F180-F334 WeakPolarHBondContact CD1-O 3.45Å; F180-P336 HydrophobicContact CB-CG 4.07Å; F180-P336 HydrophobicContact CD1-CB 4.24Å; F180-P336 HydrophobicContact CD1-CG 3.71Å; F180-P336 HydrophobicContact CD2-CG 3.86Å; F180-P336 HydrophobicContact CE1-CB 4.15Å; F180-P336 HydrophobicContact CE1-CG 4.08Å; F180-P336 HydrophobicContact CE2-CG 4.22Å; F180-P336 HydrophobicContact CG-CG 3.6Å; F180-P336 HydrophobicContact CZ-CB 4.37Å; F180-P336 HydrophobicContact CZ-CG 4.32Å; F180-L346 HydrophobicContact CZ-CD1 4.4Å
181L94.8Very high90.8Very high0 Ų042.2 Ų42.20%022%0.221CC..  trans-96.84.7-174.8-69.994.8000114F152 D183 G184 F187 I197 I204 L260 L331 F332F152-L181 HydrophobicContact CB-CG 4.27Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 2.85Å; L181-G184 WeakPolarHBondContact O-CA 3.32Å; L181-G184 PolarHBondContact O-N 3.02Å; L181-F187 HydrophobicContact CB-CE2 4.34Å; L181-F187 HydrophobicContact CD2-CD2 4.48Å; L181-F187 HydrophobicContact CD2-CE2 3.66Å; L181-F187 HydrophobicContact CD2-CZ 4.07Å; L181-F187 HydrophobicContact CG-CE2 4.21Å; L181-I197 HydrophobicContact CD2-CD1 3.47Å; L181-I197 VanDerWaalsContact CD2-CD1 3.47Å; L181-I197 HydrophobicContact CD2-CG1 3.78Å; L181-I197 HydrophobicContact CD2-CG2 4.12Å; L181-I204 HydrophobicContact CB-CD1 3.66Å; L181-I204 HydrophobicContact CD2-CD1 3.66Å; L181-I204 HydrophobicContact CG-CD1 4.27Å; L181-L260 HydrophobicContact CD1-CD1 4.49Å; L181-L260 HydrophobicContact CD1-CD2 4.18Å; L181-L260 HydrophobicContact CD2-CD2 3.99Å; L181-L331 HydrophobicContact CD1-CB 3.98Å; L181-L331 HydrophobicContact CD1-CD2 4.49Å; L181-F332 WeakPolarHBondContact CD1-O 3.48Å; L181-F332 PolarHBondContact N-O 2.79Å
182L91Very high90.3Very high11 Ų1137.8 Ų37.86%0.05820%0.203CC..G310 helixtrans5047.3173.8-57.6-175.7000113.3L97 E150 N151 G184 E185 R335L97-L182 HydrophobicContact CD1-CD1 4.21Å; E150-L182 WeakPolarHBondContact O-CD2 3.16Å; N151-L182 HydrophobicContact CB-CD1 3.73Å; N151-L182 HydrophobicContact CB-CG 4.34Å; L182-G184 PolarHBondContact O-N 2.67Å; L182-G184 VanDerWaalsContact O-N 3.08Å; L182-E185 WeakPolarHBondContact O-CB 3.39Å; L182-E185 WeakPolarHBondContact O-CG 3.47Å; L182-E185 PolarHBondContact O-N 2.51Å; L182-R335 HydrophobicContact CD2-CB 3.93Å
183D90.6Very high90.3Very high3 Ų332.5 Ų32.52%0.01618%0.183CC..G310 helixtrans58.424.7-178.9-56.6-63.8000113.5L181 E185 R206 C256 M257 A258 A333 F334 R335L181-D183 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 2.85Å; D183-E185 VanDerWaalsContact C-N 3.32Å; D183-E185 PolarHBondContact O-N 2.9Å; D183-R206 WeakPolarHBondContact O-CG 3.39Å; D183-C256 WeakPolarHBondContact OD1-CA 3.49Å; D183-C256 PolarHBondContact OD1-N 2.76Å; D183-M257 HydrophobicContact CB-CB 4.24Å; D183-M257 PolarHBondContact OD1-N 3.33Å; D183-M257 VanDerWaalsContact OD1-N 3.14Å; D183-A258 WeakPolarHBondContact O-CB 3.46Å; D183-A333 WeakPolarHBondContact CA-O 3.2Å; D183-A333 PolarHBondContact N-O 2.96Å; D183-F334 WeakPolarHBondContact OD1-CB 3.44Å; D183-R335 WeakPolarHBondContact OD2-CD 3.37Å; D183-R335 WeakPolarHBondContact OD2-CG 3.44Å
184G90.2Very high90.3Very high0 Ų032.1 Ų32.10%018%0.181CC..G310 helixtrans80.53177.900000115.5L181 L182 G186 F187 T188L181-G184 WeakPolarHBondContact O-CA 3.32Å; L181-G184 PolarHBondContact O-N 3.02Å; L182-G184 PolarHBondContact O-N 2.67Å; L182-G184 VanDerWaalsContact O-N 3.08Å; G184-G186 PolarHBondContact O-N 3.5Å; G184-G186 VanDerWaalsContact O-N 3.13Å; G184-F187 PolarHBondContact O-N 3.37Å; G184-T188 PolarHBondContact O-N 3.14Å
185E88.7Confident90.4Very high97 Ų9729.8 Ų29.845%0.45317%0.171SC..THydrogen-bonded Turntrans-56.6-29.8-178.1-70.3177.5172.100114L182 D183 F187L182-E185 WeakPolarHBondContact O-CB 3.39Å; L182-E185 WeakPolarHBondContact O-CG 3.47Å; L182-E185 PolarHBondContact O-N 2.51Å; D183-E185 VanDerWaalsContact C-N 3.32Å; D183-E185 PolarHBondContact O-N 2.9Å; E185-F187 PolarHBondContact O-N 3.39Å
186G85.8Confident90.3Very high32 Ų3234.2 Ų34.233%0.3319%0.19SC..THydrogen-bonded Turntrans-74-7176.700000115.2G184G184-G186 PolarHBondContact O-N 3.5Å; G184-G186 VanDerWaalsContact O-N 3.13Å
187F88.6Confident90.2Very high46 Ų4634.1 Ų34.120%0.20219%0.189CC..THydrogen-bonded Turntrans-122.2-43.1-174.3-56.2-85.1000112.3A153 T156 L181 G184 E185 I197 I204A153-F187 HydrophobicContact CB-CE2 4.41Å; A153-F187 HydrophobicContact CB-CZ 4.16Å; T156-F187 HydrophobicContact CG2-CE1 4.42Å; L181-F187 HydrophobicContact CB-CE2 4.34Å; L181-F187 HydrophobicContact CD2-CD2 4.48Å; L181-F187 HydrophobicContact CD2-CE2 3.66Å; L181-F187 HydrophobicContact CD2-CZ 4.07Å; L181-F187 HydrophobicContact CG-CE2 4.21Å; G184-F187 PolarHBondContact O-N 3.37Å; E185-F187 PolarHBondContact O-N 3.39Å; F187-I197 HydrophobicContact CE1-CB 4.42Å; F187-I197 HydrophobicContact CE1-CG2 4.12Å; F187-I197 HydrophobicContact CZ-CG1 4.48Å; F187-I197 HydrophobicContact CZ-CG2 3.97Å; F187-I204 HydrophobicContact CB-CG2 4Å; F187-I204 HydrophobicContact CD2-CD1 4.44Å; F187-I204 HydrophobicContact CD2-CG2 4.06Å; F187-I204 HydrophobicContact CG-CG2 4.04Å
188T86.1Confident89.9Confident25 Ų2535.6 Ų35.615%0.15320%0.204CC..  trans-153.5147.8178.7171.10000109.6G184 E190 T193 S195 R206G184-T188 PolarHBondContact O-N 3.14Å; T188-E190 PolarHBondContact OG1-N 3.03Å; T188-T193 VanDerWaalsContact CG2-OG1 3.27Å; T188-T193 WeakPolarHBondContact CG2-OG1 3.21Å; T188-T193 PolarHBondContact OG1-OG1 3.46Å; T188-S195 WeakPolarHBondContact CB-OG 3.35Å; T188-S195 VanDerWaalsContact CG2-OG 3.23Å; T188-S195 WeakPolarHBondContact CG2-OG 3.22Å; T188-R206 HydrophobicContact CG2-CG 4.06Å; T188-R206 WeakPolarHBondContact O-CD 3.49Å; T188-R206 PolarHBondContact O-NH1 2.85Å
189T83.8Confident89.5Confident121 Ų12141.3 Ų41.374%0.74223%0.231SC*.  trans-98.5-15.1175.252.40000113.4
190E87.4Confident89.4Confident131 Ų13141.7 Ų41.761%0.61223%0.233SC*.SBendtrans-89.4129.4-170.8-172.8-178.2179.400112.1T188 T193T188-E190 PolarHBondContact OG1-N 3.03Å; E190-T193 HydrophobicContact CB-CG2 3.66Å; E190-T193 HydrophobicContact CG-CG2 3.7Å; E190-T193 PolarHBondContact O-OG1 2.8Å
191G85.8Confident89.2Confident29 Ų2941.9 Ų41.930%0.29923%0.234SC..THydrogen-bonded Turntrans-71.7138.9176.400000112.8T193 R208G191-T193 VanDerWaalsContact C-N 3.34Å; G191-R208 WeakPolarHBondContact O-CG 3.3Å
192G83.9Confident89.1Confident8 Ų841.9 Ų41.98%0.08223%0.234CC..THydrogen-bonded Turntrans85.95-175.400000113.9R206G192-R206 WeakPolarHBondContact CA-O 3.46Å; G192-R206 PolarHBondContact N-O 2.85Å
193T87.2Confident89.1Confident29 Ų2944.7 Ų44.718%0.17824%0.244CC..  trans-96.5157.9178.865.30000112.2T188 E190 G191 R206T188-T193 VanDerWaalsContact CG2-OG1 3.27Å; T188-T193 WeakPolarHBondContact CG2-OG1 3.21Å; T188-T193 PolarHBondContact OG1-OG1 3.46Å; E190-T193 HydrophobicContact CB-CG2 3.66Å; E190-T193 HydrophobicContact CG-CG2 3.7Å; E190-T193 PolarHBondContact O-OG1 2.8Å; G191-T193 VanDerWaalsContact C-N 3.34Å; T193-R206 PolarHBondContact O-N 2.9Å
194W85.7Confident89.2Confident60 Ų6044.5 Ų44.523%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-120.1137.8179.1-59.775.5000108.5I204 H205 V261 L291 Q314W194-I204 WeakPolarHBondContact CA-O 3.34Å; W194-H205 AromaticContact CD1-CD2 3.99Å; W194-H205 HydrophobicContact CD2-CB 3.87Å; W194-H205 AromaticContact CD2-CD2 3.67Å; W194-H205 AromaticContact CD2-CG 3.84Å; W194-H205 AromaticContact CE2-CD2 3.21Å; W194-H205 AromaticContact CE2-CG 3.56Å; W194-H205 AromaticContact CE2-NE2 3.62Å; W194-H205 HydrophobicContact CE3-CB 3.58Å; W194-H205 AromaticContact CE3-CG 3.96Å; W194-H205 HydrophobicContact CH2-CB 3.87Å; W194-H205 AromaticContact CH2-CG 3.63Å; W194-H205 AromaticContact CH2-ND1 3.67Å; W194-H205 HydrophobicContact CZ2-CB 4.12Å; W194-H205 AromaticContact CZ2-CD2 3.48Å; W194-H205 VanDerWaalsContact CZ2-CD2 3.48Å; W194-H205 WeakPolarHBondContact CZ2-CD2 3.36Å; W194-H205 AromaticContact CZ2-CE1 3.59Å; W194-H205 AromaticContact CZ2-CG 3.45Å; W194-H205 VanDerWaalsContact CZ2-CG 3.45Å; W194-H205 AromaticContact CZ2-ND1 3.53Å; W194-H205 AromaticContact CZ2-NE2 3.58Å; W194-H205 HydrophobicContact CZ3-CB 3.59Å; W194-H205 AromaticContact CZ3-CG 3.88Å; W194-H205 AromaticContact NE1-CD2 3.42Å; W194-H205 PolarHBondContact NE1-CD2 3.17Å; W194-H205 AromaticContact NE1-NE2 3.66Å; W194-V261 HydrophobicContact CH2-CG2 4.09Å; W194-V261 HydrophobicContact CZ3-CB 3.8Å; W194-V261 HydrophobicContact CZ3-CG1 4.05Å; W194-V261 HydrophobicContact CZ3-CG2 3.61Å; W194-L291 HydrophobicContact CD2-CD1 3.91Å; W194-L291 HydrophobicContact CE3-CD1 3.96Å; W194-L291 HydrophobicContact CG-CD1 4.47Å; W194-L291 HydrophobicContact CH2-CD1 4.14Å; W194-L291 HydrophobicContact CZ2-CD1 4.12Å; W194-L291 HydrophobicContact CZ3-CD1 4.06Å; W194-Q314 VanDerWaalsContact CH2-NE2 3.33Å
195S91.7Very high89.3Confident26 Ų2644.8 Ų44.818%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-137.8142.2178-61.30000110.5T188 Y203 I204T188-S195 WeakPolarHBondContact CB-OG 3.35Å; T188-S195 VanDerWaalsContact CG2-OG 3.23Å; T188-S195 WeakPolarHBondContact CG2-OG 3.22Å; S195-Y203 CarbonylContact O-C 3.4Å; S195-Y203 WeakPolarHBondContact O-CA 3.26Å; S195-I204 PolarHBondContact N-O 3.48Å; S195-I204 WeakPolarHBondContact O-CG2 2.94Å; S195-I204 PolarHBondContact O-N 2.71Å
196K91.9Very high89.3Confident98 Ų9841.8 Ų41.843%0.42623%0.229SC..EExtended strand (participates in β ladder)trans-72.6137.8173.9-170.9-178.9177.7-169.70109.5G198 E199 L200 Y203 F263K196-G198 WeakPolarHBondContact CD-O 3.49Å; K196-G198 WeakPolarHBondContact CE-O 3.16Å; K196-G198 WeakPolarHBondContact CG-O 3.39Å; K196-G198 PolarHBondContact O-N 3.46Å; K196-G198 VanDerWaalsContact O-N 3.16Å; K196-E199 WeakPolarHBondContact CE-O 3.37Å; K196-E199 PolarHBondContact NZ-O 3.37Å; K196-L200 WeakPolarHBondContact CE-O 3.43Å; K196-Y203 HydrophobicContact CB-CE1 4.49Å; K196-F263 HydrophobicContact CD-CZ 4.02Å; K196-F263 HydrophobicContact CG-CZ 3.99Å
197I93.1Very high89.5Confident0 Ų040.7 Ų40.70%022%0.216CC..  trans-86.784.8176-60.4161000108.7F152 T156 L181 F187 E199 L200 L202 I204 L260F152-I197 HydrophobicContact CD1-CG2 4.04Å; F152-I197 HydrophobicContact CE1-CG2 3.98Å; T156-I197 HydrophobicContact CG2-CG2 3.9Å; L181-I197 HydrophobicContact CD2-CD1 3.47Å; L181-I197 VanDerWaalsContact CD2-CD1 3.47Å; L181-I197 HydrophobicContact CD2-CG1 3.78Å; L181-I197 HydrophobicContact CD2-CG2 4.12Å; F187-I197 HydrophobicContact CE1-CB 4.42Å; F187-I197 HydrophobicContact CE1-CG2 4.12Å; F187-I197 HydrophobicContact CZ-CG1 4.48Å; F187-I197 HydrophobicContact CZ-CG2 3.97Å; I197-E199 PolarHBondContact O-N 3.5Å; I197-L200 HydrophobicContact CG2-CD1 4.3Å; I197-L200 WeakPolarHBondContact O-CB 3.37Å; I197-L200 PolarHBondContact O-N 2.85Å; I197-L200 VanDerWaalsContact O-N 3.14Å; I197-L202 HydrophobicContact CD1-CB 4.18Å; I197-L202 HydrophobicContact CD1-CD2 3.63Å; I197-L202 HydrophobicContact CD1-CG 3.74Å; I197-L202 PolarHBondContact N-O 3.4Å; I197-I204 HydrophobicContact CD1-CB 4Å; I197-I204 HydrophobicContact CG1-CB 4Å; I197-I204 HydrophobicContact CG1-CG2 4.08Å; I197-L260 HydrophobicContact CD1-CD2 3.59Å
198G90.4Very high89.3Confident31 Ų3145.7 Ų45.732%0.3223%0.233SC..THydrogen-bonded Turntrans56.5-124-177.300000112.1K196K196-G198 WeakPolarHBondContact CD-O 3.49Å; K196-G198 WeakPolarHBondContact CE-O 3.16Å; K196-G198 WeakPolarHBondContact CG-O 3.39Å; K196-G198 PolarHBondContact O-N 3.46Å; K196-G198 VanDerWaalsContact O-N 3.16Å
199E91.1Very high89.3Confident121 Ų12152.4 Ų52.457%0.56526%0.26SS*.THydrogen-bonded Turntrans-92.3-13.6179.7-69.7170.4158.600113.5K163 K196 I197K163-E199 IonicContact NZ-OE2 2.87Å; K163-E199 PolarHBondContact NZ-OE2 2.92Å; K196-E199 WeakPolarHBondContact CE-O 3.37Å; K196-E199 PolarHBondContact NZ-O 3.37Å; I197-E199 PolarHBondContact O-N 3.5Å
200L93.7Very high89.3Confident7 Ų748.4 Ų48.44%0.03724%0.237CC..SBendtrans-62.8142.5-176.7-60.8176.1000110.3F152 K196 I197 L202 F324 L331F152-L200 HydrophobicContact CE1-CD1 3.98Å; F152-L200 HydrophobicContact CZ-CD1 4.27Å; K196-L200 WeakPolarHBondContact CE-O 3.43Å; I197-L200 HydrophobicContact CG2-CD1 4.3Å; I197-L200 WeakPolarHBondContact O-CB 3.37Å; I197-L200 PolarHBondContact O-N 2.85Å; I197-L200 VanDerWaalsContact O-N 3.14Å; L200-L202 HydrophobicContact CB-CB 4.27Å; L200-L202 PolarHBondContact O-N 3.49Å; L200-F324 HydrophobicContact CD2-CD1 4.29Å; L200-L331 HydrophobicContact CD1-CD1 4.4Å
201P92.6Very high89.3Confident5 Ų542.3 Ų42.33%0.03221%0.208CC..SBendtrans-74.154.5174.430.1-34.5000112.2F263 N266 F269 Y270 F324P201-F263 HydrophobicContact CB-CB 4.3Å; P201-F263 HydrophobicContact CB-CD2 3.65Å; P201-F263 HydrophobicContact CB-CE2 4.11Å; P201-F263 HydrophobicContact CB-CG 3.96Å; P201-F263 WeakPolarHBondContact O-CD1 3.29Å; P201-F263 WeakPolarHBondContact O-CG 3.38Å; P201-F263 PolarHBondContact O-N 3.47Å; P201-N266 HydrophobicContact CB-CB 3.75Å; P201-N266 HydrophobicContact CG-CB 4Å; P201-F269 HydrophobicContact CG-CD2 3.77Å; P201-F269 HydrophobicContact CG-CE2 4.19Å; P201-Y270 WeakPolarHBondContact CD-OH 3.43Å; P201-Y270 HydrophobicContact CG-CE2 4.07Å; P201-Y270 WeakPolarHBondContact CG-OH 3.48Å; P201-Y270 WeakPolarHBondContact O-CE2 3.29Å; P201-F324 HydrophobicContact CG-CD2 4.1Å; P201-F324 HydrophobicContact CG-CG 4.22Å
202L92.4Very high89.2Confident0 Ų044.9 Ų44.90%021%0.212CC..EExtended strand (participates in β ladder)trans-141.4131.8-172.4-167.267.2000110.2I197 L200 L260 P262 Y270 L318 L331I197-L202 HydrophobicContact CD1-CB 4.18Å; I197-L202 HydrophobicContact CD1-CD2 3.63Å; I197-L202 HydrophobicContact CD1-CG 3.74Å; I197-L202 PolarHBondContact N-O 3.4Å; L200-L202 HydrophobicContact CB-CB 4.27Å; L200-L202 PolarHBondContact O-N 3.49Å; L202-L260 HydrophobicContact CD1-CB 4.39Å; L202-L260 HydrophobicContact CD2-CD2 4.25Å; L202-P262 HydrophobicContact CD1-CB 4.39Å; L202-P262 HydrophobicContact CD1-CG 3.95Å; L202-Y270 HydrophobicContact CB-CE2 4.43Å; L202-Y270 HydrophobicContact CD1-CD2 4.41Å; L202-Y270 HydrophobicContact CD1-CE1 4.46Å; L202-Y270 HydrophobicContact CD1-CE2 4.23Å; L202-Y270 HydrophobicContact CD2-CE1 4.38Å; L202-L318 HydrophobicContact CD1-CD1 4.14Å; L202-L318 HydrophobicContact CD1-CD2 4.45Å; L202-L318 HydrophobicContact CD2-CD2 4.5Å; L202-L331 HydrophobicContact CD2-CD1 3.56Å
203Y91.2Very high89.1Confident69 Ų6944.5 Ų44.527%0.27121%0.208SC..EExtended strand (participates in β ladder)trans-96.4144.3169.6-66.6-69.1000110.9S195 K196 L260 V261 F263 M295S195-Y203 CarbonylContact O-C 3.4Å; S195-Y203 WeakPolarHBondContact O-CA 3.26Å; K196-Y203 HydrophobicContact CB-CE1 4.49Å; Y203-L260 WeakPolarHBondContact O-CA 3.43Å; Y203-V261 PolarHBondContact N-O 3.33Å; Y203-V261 PolarHBondContact O-N 3.06Å; Y203-F263 AromaticContact CD1-CE1 3.89Å; Y203-F263 HydrophobicContact CD1-CE1 3.89Å; Y203-F263 AromaticContact CD2-CD1 3.39Å; Y203-F263 HydrophobicContact CD2-CD1 3.39Å; Y203-F263 AromaticContact CD2-CE1 3.38Å; Y203-F263 HydrophobicContact CD2-CE1 3.38Å; Y203-F263 AromaticContact CE1-CE1 3.66Å; Y203-F263 HydrophobicContact CE1-CE1 3.66Å; Y203-F263 HydrophobicContact CE1-CZ 4.11Å; Y203-F263 AromaticContact CE2-CD1 3.15Å; Y203-F263 HydrophobicContact CE2-CD1 3.15Å; Y203-F263 AromaticContact CE2-CE1 3.1Å; Y203-F263 HydrophobicContact CE2-CE1 3.1Å; Y203-F263 HydrophobicContact CE2-CG 4.13Å; Y203-F263 HydrophobicContact CE2-CZ 4.02Å; Y203-F263 HydrophobicContact CG-CD1 4.19Å; Y203-F263 AromaticContact CG-CE1 3.76Å; Y203-F263 HydrophobicContact CG-CE1 3.76Å; Y203-F263 AromaticContact CZ-CD1 3.79Å; Y203-F263 AromaticContact CZ-CE1 3.25Å; Y203-F263 AromaticContact CZ-CZ 3.76Å; Y203-M295 HydrophobicContact CD2-CE 4.08Å; Y203-M295 HydrophobicContact CE2-CE 3.85Å
204I92.9Very high89.1Confident0 Ų043.5 Ų43.50%020%0.202CC..EExtended strand (participates in β ladder)trans-97.8127.6156.8-173.1148.7000108.8L181 F187 W194 S195 I197 A258 T259 L260L181-I204 HydrophobicContact CB-CD1 3.66Å; L181-I204 HydrophobicContact CD2-CD1 3.66Å; L181-I204 HydrophobicContact CG-CD1 4.27Å; F187-I204 HydrophobicContact CB-CG2 4Å; F187-I204 HydrophobicContact CD2-CD1 4.44Å; F187-I204 HydrophobicContact CD2-CG2 4.06Å; F187-I204 HydrophobicContact CG-CG2 4.04Å; W194-I204 WeakPolarHBondContact CA-O 3.34Å; S195-I204 PolarHBondContact N-O 3.48Å; S195-I204 WeakPolarHBondContact O-CG2 2.94Å; S195-I204 PolarHBondContact O-N 2.71Å; I197-I204 HydrophobicContact CD1-CB 4Å; I197-I204 HydrophobicContact CG1-CB 4Å; I197-I204 HydrophobicContact CG1-CG2 4.08Å; I204-A258 HydrophobicContact CD1-CB 3.85Å; I204-A258 HydrophobicContact CG1-CB 3.8Å; I204-T259 WeakPolarHBondContact CA-O 3.36Å; I204-L260 HydrophobicContact CD1-CD2 4.47Å
205H90.6Very high89.2Confident5 Ų541.2 Ų41.22%0.02319%0.193CC..EExtended strand (participates in β ladder)trans-107113.2176.2176.1-147.5000108.8W194 L207 A258 T259 Q314W194-H205 AromaticContact CD1-CD2 3.99Å; W194-H205 HydrophobicContact CD2-CB 3.87Å; W194-H205 AromaticContact CD2-CD2 3.67Å; W194-H205 AromaticContact CD2-CG 3.84Å; W194-H205 AromaticContact CE2-CD2 3.21Å; W194-H205 AromaticContact CE2-CG 3.56Å; W194-H205 AromaticContact CE2-NE2 3.62Å; W194-H205 HydrophobicContact CE3-CB 3.58Å; W194-H205 AromaticContact CE3-CG 3.96Å; W194-H205 HydrophobicContact CH2-CB 3.87Å; W194-H205 AromaticContact CH2-CG 3.63Å; W194-H205 AromaticContact CH2-ND1 3.67Å; W194-H205 HydrophobicContact CZ2-CB 4.12Å; W194-H205 AromaticContact CZ2-CD2 3.48Å; W194-H205 VanDerWaalsContact CZ2-CD2 3.48Å; W194-H205 WeakPolarHBondContact CZ2-CD2 3.36Å; W194-H205 AromaticContact CZ2-CE1 3.59Å; W194-H205 AromaticContact CZ2-CG 3.45Å; W194-H205 VanDerWaalsContact CZ2-CG 3.45Å; W194-H205 AromaticContact CZ2-ND1 3.53Å; W194-H205 AromaticContact CZ2-NE2 3.58Å; W194-H205 HydrophobicContact CZ3-CB 3.59Å; W194-H205 AromaticContact CZ3-CG 3.88Å; W194-H205 AromaticContact NE1-CD2 3.42Å; W194-H205 PolarHBondContact NE1-CD2 3.17Å; W194-H205 AromaticContact NE1-NE2 3.66Å; H205-L207 VanDerWaalsContact CE1-CD2 3.47Å; H205-L207 WeakPolarHBondContact CE1-CD2 3.37Å; H205-L207 WeakPolarHBondContact ND1-CD2 3.34Å; H205-A258 CarbonylContact O-C 3.44Å; H205-A258 WeakPolarHBondContact O-CA 3.28Å; H205-T259 PolarHBondContact N-O 3.08Å; H205-T259 PolarHBondContact O-N 2.86Å; H205-Q314 PolarHBondContact ND1-NE2 3.36Å; H205-Q314 PolarHBondContact ND1-OE1 3.31Å
206R90.3Very high89Confident34 Ų3440.1 Ų40.113%0.12819%0.185CC..EExtended strand (participates in β ladder)trans-81.8127.2171.7-83.6-168.877143.33.5109.7D183 T188 G192 T193 M257 A258D183-R206 WeakPolarHBondContact O-CG 3.39Å; T188-R206 HydrophobicContact CG2-CG 4.06Å; T188-R206 WeakPolarHBondContact O-CD 3.49Å; T188-R206 PolarHBondContact O-NH1 2.85Å; G192-R206 WeakPolarHBondContact CA-O 3.46Å; G192-R206 PolarHBondContact N-O 2.85Å; T193-R206 PolarHBondContact O-N 2.9Å; R206-M257 CarbonylContact C-O 3.44Å; R206-M257 WeakPolarHBondContact CA-O 3.25Å; R206-A258 HydrophobicContact CG-CB 4.38Å
207L88.3Confident88.8Confident9 Ų935.6 Ų35.65%0.04717%0.166CC..  trans-82.6144.6-178.6-53.3179.3000110.6H205 K209 P211 M257 T259 T278H205-L207 VanDerWaalsContact CE1-CD2 3.47Å; H205-L207 WeakPolarHBondContact CE1-CD2 3.37Å; H205-L207 WeakPolarHBondContact ND1-CD2 3.34Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 VanDerWaalsContact CB-O 3.28Å; L207-K209 WeakPolarHBondContact CB-O 3.3Å; L207-P211 HydrophobicContact CD1-CB 3.67Å; L207-P211 HydrophobicContact CD1-CG 3.77Å; L207-M257 PolarHBondContact N-O 3.09Å; L207-M257 VanDerWaalsContact O-CE 3.23Å; L207-M257 WeakPolarHBondContact O-CE 3.23Å; L207-T259 HydrophobicContact CD1-CG2 4.14Å; L207-T259 HydrophobicContact CD2-CG2 4.48Å; L207-T278 HydrophobicContact CD1-CG2 3.97Å; L207-T278 HydrophobicContact CD2-CG2 3.88Å
208R86.1Confident88.2Confident152 Ų15238.2 Ų38.257%0.57418%0.18SC*.SBendtrans-74.7-23.6170.8-68.1-173.6-178.2131.23.7112.8G191 D289G191-R208 WeakPolarHBondContact O-CG 3.3Å; R208-D289 IonicContact CZ-OD1 2.7Å; R208-D289 IonicContact CZ-OD2 2.87Å; R208-D289 IonicContact NH1-OD1 2.91Å; R208-D289 PolarHBondContact NH1-OD1 2.93Å; R208-D289 IonicContact NH1-OD2 3.89Å; R208-D289 PolarHBondContact NH1-OD2 2.95Å; R208-D289 IonicContact NH2-OD1 2.67Å; R208-D289 PolarHBondContact NH2-OD1 2.79Å; R208-D289 VanDerWaalsContact NH2-OD1 3.09Å; R208-D289 IonicContact NH2-OD2 3.77Å
209K84.4Confident87.4Confident165 Ų16540.6 Ų40.672%0.71719%0.185SC*.SBendtrans-136.4154.1-175.9-66.7-177.1-179.81790110L207L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 VanDerWaalsContact CB-O 3.28Å; L207-K209 WeakPolarHBondContact CB-O 3.3Å
210P84.4Confident87.1Confident38 Ų3835.5 Ų35.525%0.24716%0.164CC..  trans-56.4136.2172.9-17.327.7000110.4T235 E237 V254 M257P210-T235 HydrophobicContact CB-CG2 4.19Å; P210-E237 HydrophobicContact CB-CG 3.86Å; P210-E237 HydrophobicContact CG-CG 3.77Å; P210-V254 HydrophobicContact CB-CG1 3.91Å; P210-V254 HydrophobicContact CG-CG1 3.8Å; P210-M257 HydrophobicContact CB-SD 4.36Å; P210-M257 HydrophobicContact CG-SD 4.3Å
211P86.9Confident86.4Confident3 Ų338 Ų382%0.01918%0.182CC..  trans-76.5163.7178.933.3-36000112L207 L236 C256 T276 K277 T278L207-P211 HydrophobicContact CD1-CB 3.67Å; L207-P211 HydrophobicContact CD1-CG 3.77Å; P211-L236 HydrophobicContact CG-CB 4.37Å; P211-L236 HydrophobicContact CG-CD1 4.04Å; P211-L236 PolarHBondContact O-N 3.25Å; P211-C256 WeakPolarHBondContact CD-O 3.42Å; P211-C256 HydrophobicContact CG-CB 4.35Å; P211-C256 VanDerWaalsContact CG-O 3.32Å; P211-C256 WeakPolarHBondContact CG-O 3.3Å; P211-T276 HydrophobicContact CB-CG2 3.61Å; P211-T276 WeakPolarHBondContact CB-OG1 3.4Å; P211-T276 HydrophobicContact CG-CG2 3.94Å; P211-K277 WeakPolarHBondContact CB-O 3.41Å; P211-T278 HydrophobicContact CB-CG2 4.42Å
212Q84.2Confident86.2Confident82 Ų8237.9 Ų37.938%0.38318%0.181SC..EExtended strand (participates in β ladder)trans-100.8115.8-176.2-171.7-178.922.700111.6T276 K277Q212-T276 PolarHBondContact O-OG1 3.16Å; Q212-K277 HydrophobicContact CB-CB 4.27Å; Q212-K277 PolarHBondContact N-O 3.14Å; Q212-K277 WeakPolarHBondContact O-CB 3.1Å; Q212-K277 PolarHBondContact O-N 3.15Å
213G82.6Confident86.1Confident0 Ų038.7 Ų38.70%019%0.185CC..EExtended strand (participates in β ladder)trans72.8175.8174.100000114.7N232 N234 L236 T276G213-N232 CarbonylContact C-O 3.22Å; G213-N232 WeakPolarHBondContact CA-O 3.39Å; G213-N234 WeakPolarHBondContact CA-O 3.33Å; G213-N234 PolarHBondContact N-O 2.7Å; G213-L236 WeakPolarHBondContact O-CD1 3.47Å; G213-T276 WeakPolarHBondContact O-CB 3.45Å; G213-T276 PolarHBondContact O-OG1 3.49Å
214F86Confident85.9Confident8 Ų838.6 Ų38.64%0.03518%0.184CC..EExtended strand (participates in β ladder)trans-141.4147.9170.663.3-89.1000109.8M231 N232 L236 L316 W340 L341 W631F214-M231 WeakPolarHBondContact O-CA 3.4Å; F214-N232 HydrophobicContact CD1-CB 3.86Å; F214-N232 HydrophobicContact CE1-CB 3.28Å; F214-N232 HydrophobicContact CE2-CB 4.11Å; F214-N232 HydrophobicContact CG-CB 4.49Å; F214-N232 HydrophobicContact CZ-CB 3.39Å; F214-N232 PolarHBondContact N-O 3.08Å; F214-N232 PolarHBondContact O-N 3.01Å; F214-L236 HydrophobicContact CB-CD1 4.42Å; F214-L236 HydrophobicContact CB-CD2 4.48Å; F214-L236 HydrophobicContact CD1-CD2 3.8Å; F214-L316 HydrophobicContact CB-CD1 4.43Å; F214-W340 AromaticContact CE1-NE1 3.85Å; F214-W340 HydrophobicContact CE2-CH2 4.46Å; F214-W340 AromaticContact CE2-CZ2 3.68Å; F214-W340 HydrophobicContact CE2-CZ2 3.68Å; F214-W340 AromaticContact CZ-CE2 3.63Å; F214-W340 AromaticContact CZ-CZ2 3.42Å; F214-W340 HydrophobicContact CZ-CZ2 3.42Å; F214-W340 VanDerWaalsContact CZ-CZ2 3.42Å; F214-W340 AromaticContact CZ-NE1 3.45Å; F214-L341 HydrophobicContact CD2-CD2 3.79Å; F214-L341 HydrophobicContact CE2-CD2 4.12Å; F214-W631 AromaticContact CD2-CH2 3.89Å; F214-W631 HydrophobicContact CD2-CH2 3.89Å; F214-W631 HydrophobicContact CD2-CZ3 4.15Å; F214-W631 HydrophobicContact CE2-CE3 4.37Å; F214-W631 AromaticContact CE2-CH2 3.12Å; F214-W631 HydrophobicContact CE2-CH2 3.12Å; F214-W631 AromaticContact CE2-CZ2 3.75Å; F214-W631 HydrophobicContact CE2-CZ2 3.75Å; F214-W631 AromaticContact CE2-CZ3 3.48Å; F214-W631 HydrophobicContact CE2-CZ3 3.48Å; F214-W631 VanDerWaalsContact CE2-CZ3 3.48Å; F214-W631 AromaticContact CZ-CH2 3.74Å; F214-W631 HydrophobicContact CZ-CH2 3.74Å; F214-W631 AromaticContact CZ-CZ2 3.9Å; F214-W631 HydrophobicContact CZ-CZ2 3.9Å; F214-W631 HydrophobicContact CZ-CZ3 4.41Å
215Y87.7Confident85.8Confident12 Ų1238.6 Ų38.65%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-137.7135.8-169.7-54.1-103.1000109.5Y58 R230 M231 A274 F275 K277 Y313Y58-Y215 HydrophobicContact CD2-CD1 4.1Å; Y58-Y215 HydrophobicContact CD2-CE1 4.19Å; Y58-Y215 HydrophobicContact CE2-CD1 4.46Å; Y58-Y215 HydrophobicContact CE2-CE1 4.09Å; Y215-R230 CarbonylContact C-O 3.51Å; Y215-R230 WeakPolarHBondContact CA-O 3.41Å; Y215-M231 HydrophobicContact CD1-CB 3.46Å; Y215-M231 VanDerWaalsContact CD1-CB 3.46Å; Y215-M231 HydrophobicContact CD1-CE 4.39Å; Y215-M231 HydrophobicContact CE1-CB 3.72Å; Y215-M231 HydrophobicContact CE1-CE 3.46Å; Y215-M231 VanDerWaalsContact CE1-CE 3.46Å; Y215-M231 HydrophobicContact CE1-CG 4.41Å; Y215-M231 HydrophobicContact CE1-SD 3.92Å; Y215-M231 HydrophobicContact CG-CB 4.26Å; Y215-A274 CarbonylContact O-C 3.6Å; Y215-A274 WeakPolarHBondContact O-CA 3.33Å; Y215-F275 VanDerWaalsContact CB-CE2 3.4Å; Y215-F275 HydrophobicContact CD1-CE2 4.15Å; Y215-F275 HydrophobicContact CD1-CZ 4.45Å; Y215-F275 HydrophobicContact CD2-CD2 4.07Å; Y215-F275 HydrophobicContact CD2-CE2 4.09Å; Y215-F275 WeakPolarHBondContact CD2-O 3.47Å; Y215-F275 HydrophobicContact CG-CD2 4.02Å; Y215-F275 AromaticContact CG-CE2 3.63Å; Y215-F275 HydrophobicContact CG-CE2 3.63Å; Y215-F275 HydrophobicContact CG-CZ 4.04Å; Y215-F275 PolarHBondContact N-O 3.04Å; Y215-F275 PolarHBondContact O-N 3.28Å; Y215-K277 HydrophobicContact CE2-CB 4.48Å; Y215-Y313 HydrophobicContact CD2-CD1 4.46Å; Y215-Y313 HydrophobicContact CD2-CE1 4.26Å; Y215-Y313 HydrophobicContact CE1-CE1 4.19Å; Y215-Y313 HydrophobicContact CE2-CD1 4.29Å; Y215-Y313 AromaticContact CE2-CE1 3.76Å; Y215-Y313 HydrophobicContact CE2-CE1 3.76Å; Y215-Y313 AromaticContact CZ-CE1 3.72Å
216T89.2Confident85.9Confident3 Ų338.3 Ų38.32%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-94.6135.8169.160.90000110T226 R227 G229 R230 L341 W631T216-T226 HydrophobicContact CG2-CG2 3.82Å; T216-R227 PolarHBondContact OG1-O 3.35Å; T216-G229 WeakPolarHBondContact O-CA 3.36Å; T216-G229 PolarHBondContact O-N 3.01Å; T216-G229 PolarHBondContact OG1-N 2.9Å; T216-R230 PolarHBondContact N-O 2.94Å; T216-R230 PolarHBondContact OG1-N 3.06Å; T216-R230 PolarHBondContact OG1-O 3.36Å; T216-L341 HydrophobicContact CG2-CD2 4.02Å; T216-W631 HydrophobicContact CG2-CZ3 4.27Å
217S87.2Confident85.9Confident4 Ų440.6 Ų40.63%0.02819%0.192CC..  trans-64149.3178.8-174.90000111.6L223 S228 G229 T272 I273S217-L223 VanDerWaalsContact O-CD1 3.29Å; S217-L223 WeakPolarHBondContact O-CD1 3.43Å; S217-S228 WeakPolarHBondContact O-CA 3.43Å; S217-S228 WeakPolarHBondContact O-CB 3.09Å; S217-G229 PolarHBondContact O-N 3.2Å; S217-T272 WeakPolarHBondContact CB-O 3.14Å; S217-T272 PolarHBondContact OG-O 3.14Å; S217-I273 WeakPolarHBondContact CB-O 3.39Å; S217-I273 PolarHBondContact N-O 2.98Å
218L80.9Confident85.9Confident54 Ų5442.5 Ų42.528%0.28321%0.206SC..SBendtrans-71-39.4179-76168.2000113.3Y58 Q59 S228Y58-L218 WeakPolarHBondContact O-CD1 3.33Å; Q59-L218 HydrophobicContact CB-CD1 4.32Å; L218-S228 VanDerWaalsContact O-CB 3.25Å; L218-S228 WeakPolarHBondContact O-CB 3.28Å; L218-S228 PolarHBondContact O-OG 2.89Å
219N73.6Confident85.9Confident82 Ų8235.7 Ų35.744%0.43918%0.183SC..SBendtrans-118.719.5-168.1-66.5-19.5000113.5I65 S221I65-N219 HydrophobicContact CD1-CB 4.39Å; N219-S221 PolarHBondContact O-N 3.33Å
220A84Confident85.9Confident14 Ų1429.7 Ų29.712%0.11616%0.156CC..  trans-69.3121.4178.400000110.8I222 L223A220-I222 HydrophobicContact CB-CG2 4.49Å; A220-I222 PolarHBondContact O-N 2.88Å; A220-I222 VanDerWaalsContact O-N 3.12Å; A220-L223 HydrophobicContact CB-CD1 3.79Å; A220-L223 HydrophobicContact CB-CG 3.77Å; A220-L223 PolarHBondContact O-N 2.6Å
221S79.5Confident85.9Confident58 Ų5828.9 Ų28.941%0.40615%0.149SC..THydrogen-bonded Turntrans-56.7-26.3-179.5520000113.8N219 E319N219-S221 PolarHBondContact O-N 3.33Å; S221-E319 PolarHBondContact OG-OE2 3.06Å
222I88.6Confident85.6Confident3 Ų329.8 Ų29.82%0.01515%0.153CC..THydrogen-bonded Turntrans-80.7-26.1-175.2-152.4160.2000113.8A220 R224 I273 V330 D348 Y352A220-I222 HydrophobicContact CB-CG2 4.49Å; A220-I222 PolarHBondContact O-N 2.88Å; A220-I222 VanDerWaalsContact O-N 3.12Å; I222-R224 PolarHBondContact O-N 3.31Å; I222-I273 HydrophobicContact CB-CD1 4.48Å; I222-I273 HydrophobicContact CD1-CD1 3.91Å; I222-I273 HydrophobicContact CG2-CB 4.22Å; I222-I273 HydrophobicContact CG2-CD1 3.75Å; I222-I273 HydrophobicContact CG2-CG1 3.66Å; I222-I273 HydrophobicContact CG2-CG2 3.51Å; I222-V330 HydrophobicContact CD1-CG1 4.42Å; I222-V330 HydrophobicContact CD1-CG2 3.5Å; I222-D348 HydrophobicContact CG1-CB 4.45Å; I222-D348 WeakPolarHBondContact O-CB 3.05Å; I222-Y352 HydrophobicContact CB-CD1 4.37Å; I222-Y352 HydrophobicContact CB-CG 4.35Å; I222-Y352 HydrophobicContact CD1-CD1 3.59Å; I222-Y352 HydrophobicContact CD1-CE1 4.24Å; I222-Y352 HydrophobicContact CD1-CG 4.11Å; I222-Y352 HydrophobicContact CG1-CD1 3.65Å; I222-Y352 HydrophobicContact CG1-CD2 4.42Å; I222-Y352 HydrophobicContact CG1-CE1 4.39Å; I222-Y352 HydrophobicContact CG1-CG 3.65Å
223L90Very high85.1Confident18 Ų1828.4 Ų28.49%0.09415%0.153CC..  trans-7785.1-169.1-62.1-179.5000110.2S217 A220 T226 I273 L345S217-L223 VanDerWaalsContact O-CD1 3.29Å; S217-L223 WeakPolarHBondContact O-CD1 3.43Å; A220-L223 HydrophobicContact CB-CD1 3.79Å; A220-L223 HydrophobicContact CB-CG 3.77Å; A220-L223 PolarHBondContact O-N 2.6Å; L223-T226 CarbonylContact C-O 3.46Å; L223-T226 HydrophobicContact CD2-CG2 4Å; L223-I273 HydrophobicContact CD2-CG2 3.66Å; L223-I273 HydrophobicContact CG-CG2 4.31Å; L223-L345 HydrophobicContact CD2-CD2 3.5Å; L223-L345 VanDerWaalsContact CD2-CD2 3.5Å
224R86.6Confident84.7Confident66 Ų6632.4 Ų32.425%0.24917%0.174CC..SBendtrans-99.9-56.2-178.2-175.5179.1177.1-147.6-5.7111.4I222 D348 V351 N385 D388 L389 N633I222-R224 PolarHBondContact O-N 3.31Å; R224-D348 PolarHBondContact N-OD1 2.94Å; R224-D348 VanDerWaalsContact N-OD1 3.08Å; R224-V351 VanDerWaalsContact NH1-CG1 3.33Å; R224-N385 PolarHBondContact NH2-O 3.47Å; R224-D388 IonicContact CZ-OD2 3.81Å; R224-D388 IonicContact NH1-OD2 3.71Å; R224-D388 PolarHBondContact NH1-OD2 3.17Å; R224-D388 VanDerWaalsContact NH2-CB 3.29Å; R224-D388 IonicContact NH2-OD2 2.86Å; R224-D388 PolarHBondContact NH2-OD2 2.97Å; R224-D388 VanDerWaalsContact NH2-OD2 3.14Å; R224-L389 HydrophobicContact CG-CD1 4.41Å; R224-N633 WeakPolarHBondContact O-CB 2.87Å; R224-N633 PolarHBondContact O-ND2 3.17Å
225A90.4Very high83.7Confident0 Ų035.1 Ų35.10%019%0.192CC..SBendtrans-79.2-39172.400000110.9I344 L347 D348 L389 T632 N633A225-I344 HydrophobicContact CB-CD1 4.48Å; A225-I344 HydrophobicContact CB-CG1 4.3Å; A225-L347 HydrophobicContact CB-CD2 4.15Å; A225-D348 WeakPolarHBondContact CB-OD1 3.38Å; A225-D348 PolarHBondContact N-OD1 2.98Å; A225-L389 HydrophobicContact CB-CD2 4Å; A225-T632 CarbonylContact O-C 3.58Å; A225-T632 WeakPolarHBondContact O-CA 3.08Å; A225-T632 VanDerWaalsContact O-CB 3.28Å; A225-T632 WeakPolarHBondContact O-CB 3.4Å; A225-N633 PolarHBondContact O-N 3.33Å
226T92.7Very high82.5Confident0 Ų035.3 Ų35.30%019%0.193CC..BIsolated β-bridgetrans-73.5137.1173.3-50.10000110.4T216 L223 L341 I344 L345 D348 N633T216-T226 HydrophobicContact CG2-CG2 3.82Å; L223-T226 CarbonylContact C-O 3.46Å; L223-T226 HydrophobicContact CD2-CG2 4Å; T226-L341 HydrophobicContact CG2-CD1 4.34Å; T226-I344 HydrophobicContact CG2-CG2 4.47Å; T226-I344 VanDerWaalsContact OG1-CG1 3.32Å; T226-I344 WeakPolarHBondContact OG1-CG1 3.49Å; T226-L345 HydrophobicContact CG2-CD2 4.26Å; T226-D348 WeakPolarHBondContact CB-OD2 3.34Å; T226-D348 PolarHBondContact N-OD2 3.34Å; T226-D348 PolarHBondContact OG1-OD2 2.92Å; T226-N633 PolarHBondContact O-ND2 3.24Å; T226-N633 VanDerWaalsContact O-ND2 3.14Å
227R90.6Very high80.9Confident81 Ų8140.2 Ų40.231%0.30622%0.216SC..PPolyproline II helixtrans-81.1132.8173.5-166.3178.1-72.5-122.57.8111.1T216 R230 T629 N630 W631 T632 N633T216-R227 PolarHBondContact OG1-O 3.35Å; R227-R230 HydrophobicContact CB-CG 4.11Å; R227-R230 VanDerWaalsContact CD-CZ 3.47Å; R227-R230 HydrophobicContact CG-CG 4.31Å; R227-T629 PolarHBondContact NE-O 2.99Å; R227-T629 PolarHBondContact NH2-O 2.89Å; R227-N630 WeakPolarHBondContact CD-O 3.22Å; R227-W631 WeakPolarHBondContact CB-O 3.3Å; R227-W631 PolarHBondContact N-O 3.15Å; R227-T632 PolarHBondContact NE-O 3.35Å; R227-T632 PolarHBondContact NH2-O 2.96Å; R227-N633 WeakPolarHBondContact CG-OD1 3.34Å
228S89Confident79.2Confident50 Ų5044 Ų4435%0.3524%0.235SC..THydrogen-bonded Turntrans-73.1156.8176.557.50000112.5S217 L218 R230S217-S228 WeakPolarHBondContact O-CA 3.43Å; S217-S228 WeakPolarHBondContact O-CB 3.09Å; L218-S228 VanDerWaalsContact O-CB 3.25Å; L218-S228 WeakPolarHBondContact O-CB 3.28Å; L218-S228 PolarHBondContact O-OG 2.89Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 2.93Å
229G85.8Confident77.4Confident8 Ų847.4 Ų47.48%0.08225%0.249CC..THydrogen-bonded Turntrans68.625.3174.700000115.6V56 T216 S217V56-G229 PolarHBondContact N-O 2.94Å; V56-G229 VanDerWaalsContact N-O 3.17Å; T216-G229 WeakPolarHBondContact O-CA 3.36Å; T216-G229 PolarHBondContact O-N 3.01Å; T216-G229 PolarHBondContact OG1-N 2.9Å; S217-G229 PolarHBondContact O-N 3.2Å
230R84.7Confident75.6Confident40 Ų4051.6 Ų51.615%0.15126%0.264CS..EExtended strand (participates in β ladder)trans-99.8144.6178.7-63.1-51.9-160.2-174.91.8111.4Y215 T216 R227 S228 N630 W631Y215-R230 CarbonylContact C-O 3.51Å; Y215-R230 WeakPolarHBondContact CA-O 3.41Å; T216-R230 PolarHBondContact N-O 2.94Å; T216-R230 PolarHBondContact OG1-N 3.06Å; T216-R230 PolarHBondContact OG1-O 3.36Å; R227-R230 HydrophobicContact CB-CG 4.11Å; R227-R230 VanDerWaalsContact CD-CZ 3.47Å; R227-R230 HydrophobicContact CG-CG 4.31Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 2.93Å; R230-N630 VanDerWaalsContact CZ-O 3.23Å; R230-N630 PolarHBondContact NE-O 3.4Å; R230-N630 PolarHBondContact NH2-O 3.07Å; R230-N630 VanDerWaalsContact NH2-O 3.09Å; R230-W631 HydrophobicContact CB-CD2 4.32Å; R230-W631 HydrophobicContact CB-CE3 3.63Å; R230-W631 HydrophobicContact CB-CH2 3.79Å; R230-W631 HydrophobicContact CB-CZ2 4.46Å; R230-W631 HydrophobicContact CB-CZ3 3.33Å; R230-W631 HydrophobicContact CG-CE3 4.22Å; R230-W631 HydrophobicContact CG-CZ3 4.39Å
231M83.2Confident72.8Confident20 Ų2057.9 Ų57.910%0.09929%0.291CS..EExtended strand (participates in β ladder)trans-135151.6175.276.4164.3-64.500113.2K54 V56 F214 Y215K54-M231 HydrophobicContact CB-CG 3.98Å; K54-M231 HydrophobicContact CB-SD 4.17Å; K54-M231 WeakPolarHBondContact O-CG 3.35Å; K54-M231 PolarHBondContact O-N 3.25Å; V56-M231 HydrophobicContact CG2-CB 4.08Å; V56-M231 HydrophobicContact CG2-CG 3.49Å; V56-M231 VanDerWaalsContact CG2-CG 3.49Å; V56-M231 HydrophobicContact CG2-SD 3.1Å; V56-M231 WeakPolarHBondContact CG2-SD 3.42Å; F214-M231 WeakPolarHBondContact O-CA 3.4Å; Y215-M231 HydrophobicContact CD1-CB 3.46Å; Y215-M231 VanDerWaalsContact CD1-CB 3.46Å; Y215-M231 HydrophobicContact CD1-CE 4.39Å; Y215-M231 HydrophobicContact CE1-CB 3.72Å; Y215-M231 HydrophobicContact CE1-CE 3.46Å; Y215-M231 VanDerWaalsContact CE1-CE 3.46Å; Y215-M231 HydrophobicContact CE1-CG 4.41Å; Y215-M231 HydrophobicContact CE1-SD 3.92Å; Y215-M231 HydrophobicContact CG-CB 4.26Å
232N80.6Confident70.7Confident22 Ų2259.4 Ų59.412%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-126.9125.5158.6-176.6-23.3000107.5G213 F214 N234 W631G213-N232 CarbonylContact C-O 3.22Å; G213-N232 WeakPolarHBondContact CA-O 3.39Å; F214-N232 HydrophobicContact CD1-CB 3.86Å; F214-N232 HydrophobicContact CE1-CB 3.28Å; F214-N232 HydrophobicContact CE2-CB 4.11Å; F214-N232 HydrophobicContact CG-CB 4.49Å; F214-N232 HydrophobicContact CZ-CB 3.39Å; F214-N232 PolarHBondContact N-O 3.08Å; F214-N232 PolarHBondContact O-N 3.01Å; N232-N234 VanDerWaalsContact OD1-CB 3.3Å; N232-N234 WeakPolarHBondContact OD1-CB 3.44Å; N232-N234 VanDerWaalsContact OD1-CG 3.23Å; N232-N234 PolarHBondContact OD1-N 3.32Å; N232-W631 HydrophobicContact CB-CH2 4.35Å; N232-W631 HydrophobicContact CB-CZ2 4.09Å
233S73.6Confident68Low54 Ų5466.3 Ų66.338%0.37833%0.325SS..EExtended strand (participates in β ladder)trans-84-8-176.448.30000114.6
234N74.3Confident65.3Low84 Ų8466.5 Ų66.545%0.44933%0.332SS..EExtended strand (participates in β ladder)trans-62140.4-177-66.9-5000110.3T51 G213 N232 L236T51-N234 WeakPolarHBondContact CG2-ND2 3.32Å; G213-N234 WeakPolarHBondContact CA-O 3.33Å; G213-N234 PolarHBondContact N-O 2.7Å; N232-N234 VanDerWaalsContact OD1-CB 3.3Å; N232-N234 WeakPolarHBondContact OD1-CB 3.44Å; N232-N234 VanDerWaalsContact OD1-CG 3.23Å; N232-N234 PolarHBondContact OD1-N 3.32Å; N234-L236 PolarHBondContact O-N 3.13Å
235T65.4Low62.9Low65 Ų6569 Ų6940%0.39937%0.367SS..EExtended strand (participates in β ladder)trans-54.2137.3172.4-48.70000109.5P210 E237P210-T235 HydrophobicContact CB-CG2 4.19Å; T235-E237 HydrophobicContact CG2-CB 4.37Å; T235-E237 HydrophobicContact CG2-CG 3.8Å; T235-E237 PolarHBondContact O-N 3.21Å
236L63Low60.4Low16 Ų1672 Ų728%0.08440%0.398CS..SBendtrans-75.344.3174.7-69.6176.6000111.2P211 G213 F214 N234 C256 L316 I339P211-L236 HydrophobicContact CG-CB 4.37Å; P211-L236 HydrophobicContact CG-CD1 4.04Å; P211-L236 PolarHBondContact O-N 3.25Å; G213-L236 WeakPolarHBondContact O-CD1 3.47Å; F214-L236 HydrophobicContact CB-CD1 4.42Å; F214-L236 HydrophobicContact CB-CD2 4.48Å; F214-L236 HydrophobicContact CD1-CD2 3.8Å; N234-L236 PolarHBondContact O-N 3.13Å; L236-C256 HydrophobicContact CD1-CB 4Å; L236-L316 HydrophobicContact CD1-CD1 4.08Å; L236-I339 HydrophobicContact CD2-CG2 3.88Å
237E56.3Low57.8Low105 Ų10578.9 Ų78.949%0.49143%0.434SS..  trans-88.5110166-78178.6-163.800107.1P210 T235 E239P210-E237 HydrophobicContact CB-CG 3.86Å; P210-E237 HydrophobicContact CG-CG 3.77Å; T235-E237 HydrophobicContact CG2-CB 4.37Å; T235-E237 HydrophobicContact CG2-CG 3.8Å; T235-E237 PolarHBondContact O-N 3.21Å; E237-E239 PolarHBondContact O-N 3.16Å; E237-E239 VanDerWaalsContact O-N 3.13Å
238I50.4Low55.2Low84 Ų8481.8 Ų81.843%0.43145%0.452SS..  trans-69.1114.3166.3-62.9176000106.8C255 G338I238-C255 HydrophobicContact CD1-CB 4.05Å; I238-G338 VanDerWaalsContact CD1-O 3.28Å; I238-G338 WeakPolarHBondContact CD1-O 3.47Å
239E43.2Very low52.6Low125 Ų12586.9 Ų86.958%0.58447%0.474SS*.  trans-49.2127.7-170.9-67.5-179.5156.100115.4E237 Q252 K581E237-E239 PolarHBondContact O-N 3.16Å; E237-E239 VanDerWaalsContact O-N 3.13Å; E239-Q252 PolarHBondContact O-NE2 3.05Å; E239-Q252 PolarHBondContact O-OE1 2.9Å; E239-K581 WeakPolarHBondContact OE2-CE 3.17Å; E239-K581 IonicContact OE2-NZ 2.7Å
240K35Very low50.1Low171 Ų17192.9 Ų92.974%0.74350%0.5SS*.SBendtrans-22.3139.3166.1-68.1170178.8172.30118.6
241Q26.4Very low47.8Very low146 Ų14697.6 Ų97.668%0.68253%0.533SS*.  trans51.4109.3160.3-70.9-167.7-20.500118.4
242I35.7Very low45.9Very low89 Ų89100 Ų10046%0.45654%0.544SS..  trans-100.8108.2157.9-56173.8000107.3G244I242-G244 PolarHBondContact O-N 2.93Å; I242-G244 VanDerWaalsContact O-N 3.16Å
243H30.2Very low44.4Very low148 Ų148102.1 Ų102.169%0.68556%0.558SS**BIsolated β-bridgetrans-70.2101.1153.8-83.3-75.6000106.4
244G33.6Very low43.9Very low23 Ų23102.2 Ų102.224%0.23756%0.556CS.*  trans-58.7146.8171.800000110I242 G246 N247I242-G244 PolarHBondContact O-N 2.93Å; I242-G244 VanDerWaalsContact O-N 3.16Å; G244-G246 PolarHBondContact O-N 3.1Å; G244-N247 PolarHBondContact O-N 3.18Å
245A36.8Very low43.9Very low118 Ų11898.3 Ų98.398%0.97554%0.535SS*.THydrogen-bonded Turntrans-54.5107.8163.600000107.7
246G38.4Very low44.8Very low63 Ų6395.2 Ų95.265%0.64952%0.516SS*.THydrogen-bonded Turntrans8859-17200000114.9G244 Q248G244-G246 PolarHBondContact O-N 3.1Å; G246-Q248 PolarHBondContact O-N 3.2Å
247N37.8Very low46.1Very low145 Ų14596.2 Ų96.278%0.77552%0.521SS*.SBendtrans45.715159.4-84.9-5.2000119G244 L249G244-N247 PolarHBondContact O-N 3.18Å; N247-L249 PolarHBondContact O-N 3.27Å
248Q35.6Very low47.8Very low142 Ų14291.2 Ų91.266%0.66450%0.498SS*.  trans-84.3107.1173.4-70.7-168.3-6.500109G246 Q250G246-Q248 PolarHBondContact O-N 3.2Å; Q248-Q250 PolarHBondContact O-N 3.06Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å
249L34.1Very low49.8Very low157 Ų15787.2 Ų87.282%0.82248%0.477SS*.BIsolated β-bridgetrans-61.9103.9164.6-85.6144.8000108.7N247N247-L249 PolarHBondContact O-N 3.27Å
250Q33.8Very low52.2Low134 Ų13481.3 Ų81.363%0.62645%0.45SS*.PPolyproline II helixtrans-89.1125.2165.4-72.7-172.1-0.600109.3Q248 Q252Q248-Q250 PolarHBondContact O-N 3.06Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å; Q250-Q252 PolarHBondContact O-N 3.5Å
251T36.3Very low54.8Low138 Ų13873.5 Ų73.585%0.84742%0.416SS*.PPolyproline II helixtrans-70.9117.3176.539.70000110.4
252Q43.3Very low57.8Low70 Ų7067.5 Ų67.533%0.32739%0.39SS..PPolyproline II helixtrans-74.7130.8175.4-84.2170.5-24.300111.2E239 Q250E239-Q252 PolarHBondContact O-NE2 3.05Å; E239-Q252 PolarHBondContact O-OE1 2.9Å; Q250-Q252 PolarHBondContact O-N 3.5Å
253T49.9Very low60.2Low67 Ų6765.2 Ų65.241%0.41138%0.377SS..  trans-87.2115.5172.3-18.90000108.2C255T253-C255 PolarHBondContact O-N 2.79Å
254V62.9Low62.4Low56 Ų5661 Ų6134%0.33936%0.361SS..  trans-60.9121163.2176.50000106.9P210 M257P210-V254 HydrophobicContact CB-CG1 3.91Å; P210-V254 HydrophobicContact CG-CG1 3.8Å; V254-M257 HydrophobicContact CB-CG 4.43Å; V254-M257 HydrophobicContact CG1-CG 4.03Å; V254-M257 HydrophobicContact CG1-SD 3.82Å
255C74Confident64.7Low2 Ų266.4 Ų66.41%0.01439%0.385CS..SBendtrans-73.1154.1176.3-1780000111.3I238 T253 M257 G338 I339I238-C255 HydrophobicContact CD1-CB 4.05Å; T253-C255 PolarHBondContact O-N 2.79Å; C255-M257 PolarHBondContact O-N 3.08Å; C255-G338 WeakPolarHBondContact CB-O 3.49Å; C255-G338 PolarHBondContact SG-O 2.88Å; C255-I339 HydrophobicContact CB-CG2 4.17Å
256C84.8Confident66.9Low0 Ų062.5 Ų62.50%035%0.348CS..  trans7634.6150.1-48.70000111.1D183 P211 L236 A258 L316 F334 I339D183-C256 WeakPolarHBondContact OD1-CA 3.49Å; D183-C256 PolarHBondContact OD1-N 2.76Å; P211-C256 WeakPolarHBondContact CD-O 3.42Å; P211-C256 HydrophobicContact CG-CB 4.35Å; P211-C256 VanDerWaalsContact CG-O 3.32Å; P211-C256 WeakPolarHBondContact CG-O 3.3Å; L236-C256 HydrophobicContact CD1-CB 4Å; C256-A258 PolarHBondContact O-N 2.65Å; C256-L316 HydrophobicContact CB-CD2 3.92Å; C256-F334 HydrophobicContact CB-CB 4.45Å; C256-I339 VanDerWaalsContact SG-CG2 3.52Å
257M89.4Confident68.9Low37 Ų3762.8 Ų62.818%0.18233%0.331CS..  trans-76.69.3175.9-68.4-63.6-67.500112.2D183 R206 L207 P210 V254 C255D183-M257 HydrophobicContact CB-CB 4.24Å; D183-M257 PolarHBondContact OD1-N 3.33Å; D183-M257 VanDerWaalsContact OD1-N 3.14Å; R206-M257 CarbonylContact C-O 3.44Å; R206-M257 WeakPolarHBondContact CA-O 3.25Å; L207-M257 PolarHBondContact N-O 3.09Å; L207-M257 VanDerWaalsContact O-CE 3.23Å; L207-M257 WeakPolarHBondContact O-CE 3.23Å; P210-M257 HydrophobicContact CB-SD 4.36Å; P210-M257 HydrophobicContact CG-SD 4.3Å; V254-M257 HydrophobicContact CB-CG 4.43Å; V254-M257 HydrophobicContact CG1-CG 4.03Å; V254-M257 HydrophobicContact CG1-SD 3.82Å; C255-M257 PolarHBondContact O-N 3.08Å
258A92.2Very high71Confident0 Ų060.1 Ų60.10%031%0.314CS..EExtended strand (participates in β ladder)trans-138.5154.9170.200000112.6D183 I204 H205 R206 C256 A333D183-A258 WeakPolarHBondContact O-CB 3.46Å; I204-A258 HydrophobicContact CD1-CB 3.85Å; I204-A258 HydrophobicContact CG1-CB 3.8Å; H205-A258 CarbonylContact O-C 3.44Å; H205-A258 WeakPolarHBondContact O-CA 3.28Å; R206-A258 HydrophobicContact CG-CB 4.38Å; C256-A258 PolarHBondContact O-N 2.65Å; A258-A333 WeakPolarHBondContact O-CB 3.12Å
259T92.9Very high73.5Confident0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-133.5163.9174.560.10000110.4I204 H205 L207 T276 T278 Q314 S315 L316I204-T259 WeakPolarHBondContact CA-O 3.36Å; H205-T259 PolarHBondContact N-O 3.08Å; H205-T259 PolarHBondContact O-N 2.86Å; L207-T259 HydrophobicContact CD1-CG2 4.14Å; L207-T259 HydrophobicContact CD2-CG2 4.48Å; T259-T276 HydrophobicContact CG2-CG2 3.92Å; T259-T278 HydrophobicContact CG2-CG2 3.83Å; T259-Q314 HydrophobicContact CG2-CB 3.87Å; T259-Q314 PolarHBondContact OG1-OE1 3.11Å; T259-S315 CarbonylContact C-O 3.57Å; T259-S315 VanDerWaalsContact CA-O 3.27Å; T259-S315 WeakPolarHBondContact CA-O 3.5Å; T259-S315 WeakPolarHBondContact CB-O 3.16Å; T259-L316 HydrophobicContact CG2-CD2 4.28Å
260L93Very high76.1Confident1 Ų148 Ų481%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-109.7131.9-179.6-59172.4000110L181 I197 L202 Y203 I204 S315 L318 L331 A333L181-L260 HydrophobicContact CD1-CD1 4.49Å; L181-L260 HydrophobicContact CD1-CD2 4.18Å; L181-L260 HydrophobicContact CD2-CD2 3.99Å; I197-L260 HydrophobicContact CD1-CD2 3.59Å; L202-L260 HydrophobicContact CD1-CB 4.39Å; L202-L260 HydrophobicContact CD2-CD2 4.25Å; Y203-L260 WeakPolarHBondContact O-CA 3.43Å; I204-L260 HydrophobicContact CD1-CD2 4.47Å; L260-S315 PolarHBondContact N-O 2.97Å; L260-S315 WeakPolarHBondContact O-CB 3.09Å; L260-S315 PolarHBondContact O-N 3.29Å; L260-L318 HydrophobicContact CB-CB 4.46Å; L260-L318 HydrophobicContact CB-CD1 4.21Å; L260-L318 HydrophobicContact CD1-CB 3.92Å; L260-L331 HydrophobicContact CD1-CB 3.72Å; L260-L331 WeakPolarHBondContact CD1-O 3.41Å; L260-A333 HydrophobicContact CD1-CB 4.39Å; L260-A333 HydrophobicContact CD2-CB 4.42Å; L260-A333 HydrophobicContact CG-CB 3.94Å
261V90.1Very high78.8Confident8 Ų842.6 Ų42.65%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-134.3110-177.2-179.10000109.9W194 Y203 M295 Q314W194-V261 HydrophobicContact CH2-CG2 4.09Å; W194-V261 HydrophobicContact CZ3-CB 3.8Å; W194-V261 HydrophobicContact CZ3-CG1 4.05Å; W194-V261 HydrophobicContact CZ3-CG2 3.61Å; Y203-V261 PolarHBondContact N-O 3.33Å; Y203-V261 PolarHBondContact O-N 3.06Å; V261-M295 HydrophobicContact CG1-CB 4.48Å; V261-M295 VanDerWaalsContact CG1-O 3.24Å; V261-M295 WeakPolarHBondContact CG1-O 3.32Å; V261-Q314 HydrophobicContact CG2-CB 4.42Å; V261-Q314 HydrophobicContact CG2-CG 4.13Å
262P88.9Confident81.3Confident20 Ų2036.9 Ų36.913%0.1319%0.193CC..EExtended strand (participates in β ladder)trans-57.4151.6172.7-30.939.3000113.3L202 K267 Y270 L318L202-P262 HydrophobicContact CD1-CB 4.39Å; L202-P262 HydrophobicContact CD1-CG 3.95Å; P262-K267 HydrophobicContact CB-CG 4.22Å; P262-Y270 HydrophobicContact CB-CD2 3.63Å; P262-Y270 HydrophobicContact CB-CE2 4.23Å; P262-Y270 HydrophobicContact CB-CG 4.43Å; P262-Y270 HydrophobicContact CG-CD2 3.68Å; P262-Y270 HydrophobicContact CG-CG 3.99Å; P262-L318 HydrophobicContact CG-CD1 3.83Å
263F85.7Confident83.6Confident40 Ų4033.6 Ų33.618%0.17518%0.178CC..  trans-63.6144.5167.6-66.46.4000109.5K196 P201 Y203 N265 N266 K267K196-F263 HydrophobicContact CD-CZ 4.02Å; K196-F263 HydrophobicContact CG-CZ 3.99Å; P201-F263 HydrophobicContact CB-CB 4.3Å; P201-F263 HydrophobicContact CB-CD2 3.65Å; P201-F263 HydrophobicContact CB-CE2 4.11Å; P201-F263 HydrophobicContact CB-CG 3.96Å; P201-F263 WeakPolarHBondContact O-CD1 3.29Å; P201-F263 WeakPolarHBondContact O-CG 3.38Å; P201-F263 PolarHBondContact O-N 3.47Å; Y203-F263 AromaticContact CD1-CE1 3.89Å; Y203-F263 HydrophobicContact CD1-CE1 3.89Å; Y203-F263 AromaticContact CD2-CD1 3.39Å; Y203-F263 HydrophobicContact CD2-CD1 3.39Å; Y203-F263 AromaticContact CD2-CE1 3.38Å; Y203-F263 HydrophobicContact CD2-CE1 3.38Å; Y203-F263 AromaticContact CE1-CE1 3.66Å; Y203-F263 HydrophobicContact CE1-CE1 3.66Å; Y203-F263 HydrophobicContact CE1-CZ 4.11Å; Y203-F263 AromaticContact CE2-CD1 3.15Å; Y203-F263 HydrophobicContact CE2-CD1 3.15Å; Y203-F263 AromaticContact CE2-CE1 3.1Å; Y203-F263 HydrophobicContact CE2-CE1 3.1Å; Y203-F263 HydrophobicContact CE2-CG 4.13Å; Y203-F263 HydrophobicContact CE2-CZ 4.02Å; Y203-F263 HydrophobicContact CG-CD1 4.19Å; Y203-F263 AromaticContact CG-CE1 3.76Å; Y203-F263 HydrophobicContact CG-CE1 3.76Å; Y203-F263 AromaticContact CZ-CD1 3.79Å; Y203-F263 AromaticContact CZ-CE1 3.25Å; Y203-F263 AromaticContact CZ-CZ 3.76Å; F263-N265 PolarHBondContact O-N 3.42Å; F263-N265 VanDerWaalsContact O-N 3.14Å; F263-N266 HydrophobicContact CB-CB 4.19Å; F263-N266 CarbonylContact O-C 3.56Å; F263-N266 PolarHBondContact O-N 3.34Å; F263-K267 PolarHBondContact O-N 3.26Å
264T78Confident85.6Confident59 Ų5930.5 Ų30.536%0.36216%0.159SC..G310 helixtrans-52.9-40.9-174.7-46.90000112.8N266 M295T264-N266 VanDerWaalsContact C-N 3.31Å; T264-N266 PolarHBondContact O-N 3.36Å; T264-M295 WeakPolarHBondContact OG1-CG 3.09Å; T264-M295 PolarHBondContact OG1-SD 3.38Å; T264-M295 VanDerWaalsContact OG1-SD 3.36Å
265N80.4Confident86.9Confident137 Ų13727.9 Ų27.973%0.73314%0.143SC*.G310 helixtrans-83.9-3.1-178.2-61.5-11.7000113.9F263 Q268F263-N265 PolarHBondContact O-N 3.42Å; F263-N265 VanDerWaalsContact O-N 3.14Å; N265-Q268 PolarHBondContact O-NE2 3.3Å; N265-Q268 PolarHBondContact O-OE1 3.02Å
266N84.2Confident87.6Confident36 Ų3627.8 Ų27.819%0.19314%0.142CC..G310 helixtrans-125.312.8-173.6-59.4103.8000112.7P201 F263 T264 Q268 F269 Y270P201-N266 HydrophobicContact CB-CB 3.75Å; P201-N266 HydrophobicContact CG-CB 4Å; F263-N266 HydrophobicContact CB-CB 4.19Å; F263-N266 CarbonylContact O-C 3.56Å; F263-N266 PolarHBondContact O-N 3.34Å; T264-N266 VanDerWaalsContact C-N 3.31Å; T264-N266 PolarHBondContact O-N 3.36Å; N266-Q268 PolarHBondContact O-N 3.1Å; N266-Q268 VanDerWaalsContact O-N 3.15Å; N266-F269 HydrophobicContact CB-CD2 3.74Å; N266-F269 HydrophobicContact CB-CE2 4Å; N266-F269 HydrophobicContact CB-CG 4.35Å; N266-F269 WeakPolarHBondContact ND2-CE2 3.49Å; N266-F269 WeakPolarHBondContact O-CB 3.32Å; N266-F269 PolarHBondContact O-N 3.42Å; N266-Y270 WeakPolarHBondContact O-CD2 3.37Å
267K80.4Confident87.7Confident70 Ų7029 Ų2930%0.30415%0.147SC..G310 helixtrans-53.1-35.6177.6-71.7-176.5175.6-173.80112.5P262 F263 F269 Y270 D294P262-K267 HydrophobicContact CB-CG 4.22Å; F263-K267 PolarHBondContact O-N 3.26Å; K267-F269 PolarHBondContact O-N 3.15Å; K267-F269 VanDerWaalsContact O-N 3.09Å; K267-Y270 PolarHBondContact O-N 2.98Å; K267-D294 WeakPolarHBondContact CE-O 3.33Å; K267-D294 PolarHBondContact NZ-O 3.32Å
268Q81.7Confident87.5Confident89 Ų8928.4 Ų28.442%0.41615%0.146SC..G310 helixtrans-61.9-14.3177.270-77.52.800114.6N265 N266 Y270 L323N265-Q268 PolarHBondContact O-NE2 3.3Å; N265-Q268 PolarHBondContact O-OE1 3.02Å; N266-Q268 PolarHBondContact O-N 3.1Å; N266-Q268 VanDerWaalsContact O-N 3.15Å; Q268-Y270 VanDerWaalsContact C-N 3.27Å; Q268-L323 WeakPolarHBondContact O-CD1 3.37Å
269F87.7Confident86.9Confident33 Ų3329.4 Ų29.415%0.14516%0.156CC..G310 helixtrans-83-6.8176.2-59.6-12.6000112.9P201 N266 K267 V321 L323 F324P201-F269 HydrophobicContact CG-CD2 3.77Å; P201-F269 HydrophobicContact CG-CE2 4.19Å; N266-F269 HydrophobicContact CB-CD2 3.74Å; N266-F269 HydrophobicContact CB-CE2 4Å; N266-F269 HydrophobicContact CB-CG 4.35Å; N266-F269 WeakPolarHBondContact ND2-CE2 3.49Å; N266-F269 WeakPolarHBondContact O-CB 3.32Å; N266-F269 PolarHBondContact O-N 3.42Å; K267-F269 PolarHBondContact O-N 3.15Å; K267-F269 VanDerWaalsContact O-N 3.09Å; F269-V321 VanDerWaalsContact O-CG2 3.22Å; F269-V321 WeakPolarHBondContact O-CG2 3.48Å; F269-V321 PolarHBondContact O-N 2.95Å; F269-V321 VanDerWaalsContact O-N 3.12Å; F269-L323 HydrophobicContact CB-CB 4.47Å; F269-L323 HydrophobicContact CD1-CB 3.44Å; F269-L323 VanDerWaalsContact CD1-CB 3.44Å; F269-L323 HydrophobicContact CD1-CD1 3.84Å; F269-L323 HydrophobicContact CD1-CG 4.3Å; F269-L323 HydrophobicContact CE1-CB 3.84Å; F269-L323 HydrophobicContact CE1-CD1 4.41Å; F269-L323 HydrophobicContact CG-CB 4.06Å; F269-F324 HydrophobicContact CD2-CB 3.95Å; F269-F324 HydrophobicContact CE2-CB 4.04Å; F269-F324 HydrophobicContact CE2-CD2 4.01Å; F269-F324 HydrophobicContact CE2-CG 4.5Å
270Y89.1Confident86Confident10 Ų1035 Ų354%0.03918%0.183CC..EExtended strand (participates in β ladder)trans-137.5135.5-167.6-59.6-67.1000112.4P201 L202 P262 N266 K267 Q268 L318 E319 D320P201-Y270 WeakPolarHBondContact CD-OH 3.43Å; P201-Y270 HydrophobicContact CG-CE2 4.07Å; P201-Y270 WeakPolarHBondContact CG-OH 3.48Å; P201-Y270 WeakPolarHBondContact O-CE2 3.29Å; L202-Y270 HydrophobicContact CB-CE2 4.43Å; L202-Y270 HydrophobicContact CD1-CD2 4.41Å; L202-Y270 HydrophobicContact CD1-CE1 4.46Å; L202-Y270 HydrophobicContact CD1-CE2 4.23Å; L202-Y270 HydrophobicContact CD2-CE1 4.38Å; P262-Y270 HydrophobicContact CB-CD2 3.63Å; P262-Y270 HydrophobicContact CB-CE2 4.23Å; P262-Y270 HydrophobicContact CB-CG 4.43Å; P262-Y270 HydrophobicContact CG-CD2 3.68Å; P262-Y270 HydrophobicContact CG-CG 3.99Å; N266-Y270 WeakPolarHBondContact O-CD2 3.37Å; K267-Y270 PolarHBondContact O-N 2.98Å; Q268-Y270 VanDerWaalsContact C-N 3.27Å; Y270-L318 HydrophobicContact CD1-CD2 3.15Å; Y270-L318 HydrophobicContact CD1-CG 4.4Å; Y270-L318 HydrophobicContact CE1-CD2 4.02Å; Y270-L318 HydrophobicContact CG-CD1 4.48Å; Y270-L318 HydrophobicContact CG-CD2 3.58Å; Y270-L318 HydrophobicContact CG-CG 4.46Å; Y270-E319 CarbonylContact C-O 3.49Å; Y270-E319 WeakPolarHBondContact CA-O 3.39Å; Y270-D320 HydrophobicContact CD1-CB 3.96Å; Y270-D320 HydrophobicContact CE1-CB 3.78Å
271N89.3Confident84.6Confident21 Ų2136 Ų3611%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-111.8126.6170.7-61.7-43.3000110.4I273 L318 E319 V321N271-I273 PolarHBondContact O-N 2.64Å; N271-L318 WeakPolarHBondContact O-CA 3.31Å; N271-E319 HydrophobicContact CB-CB 4.15Å; N271-E319 PolarHBondContact N-O 3.32Å; N271-E319 PolarHBondContact ND2-OE2 3.29Å; N271-E319 PolarHBondContact O-N 3.07Å; N271-V321 WeakPolarHBondContact ND2-CG1 2.99Å
272T89.9Confident83.2Confident18 Ų1837.5 Ų37.511%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-71.9122172.6-60.10000110.4C60 S217 F275 S315C60-T272 HydrophobicContact CB-CG2 4.37Å; S217-T272 WeakPolarHBondContact CB-O 3.14Å; S217-T272 PolarHBondContact OG-O 3.14Å; T272-F275 HydrophobicContact CG2-CB 3.91Å; T272-F275 HydrophobicContact CG2-CD1 3.94Å; T272-F275 HydrophobicContact CG2-CG 4.32Å; T272-S315 WeakPolarHBondContact CG2-OG 3.02Å; T272-S315 PolarHBondContact OG1-OG 3.4Å
273I91.8Very high81.6Confident2 Ų239 Ų391%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-93-49.7177.7-62.8165.3000109.9S217 I222 L223 N271 V317 E319 V330 L345S217-I273 WeakPolarHBondContact CB-O 3.39Å; S217-I273 PolarHBondContact N-O 2.98Å; I222-I273 HydrophobicContact CB-CD1 4.48Å; I222-I273 HydrophobicContact CD1-CD1 3.91Å; I222-I273 HydrophobicContact CG2-CB 4.22Å; I222-I273 HydrophobicContact CG2-CD1 3.75Å; I222-I273 HydrophobicContact CG2-CG1 3.66Å; I222-I273 HydrophobicContact CG2-CG2 3.51Å; L223-I273 HydrophobicContact CD2-CG2 3.66Å; L223-I273 HydrophobicContact CG-CG2 4.31Å; N271-I273 PolarHBondContact O-N 2.64Å; I273-V317 HydrophobicContact CB-CB 4.17Å; I273-V317 HydrophobicContact CB-CG1 4.09Å; I273-V317 WeakPolarHBondContact CB-O 3.33Å; I273-V317 HydrophobicContact CD1-CG1 3.9Å; I273-V317 HydrophobicContact CG2-CG1 4.32Å; I273-V317 PolarHBondContact N-O 3.43Å; I273-E319 HydrophobicContact CD1-CB 3.89Å; I273-E319 HydrophobicContact CG1-CB 4.25Å; I273-V330 HydrophobicContact CD1-CG1 3.7Å; I273-V330 HydrophobicContact CD1-CG2 4.36Å; I273-L345 HydrophobicContact CG2-CD2 3.9Å
274A91.2Very high80.1Confident2 Ų248.6 Ų48.62%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-139.4148.5177.300000110.2Y215 L316 V317 L345Y215-A274 CarbonylContact O-C 3.6Å; Y215-A274 WeakPolarHBondContact O-CA 3.33Å; A274-L316 PolarHBondContact O-N 2.72Å; A274-V317 HydrophobicContact CB-CB 4.12Å; A274-V317 HydrophobicContact CB-CG2 4.18Å; A274-V317 PolarHBondContact N-O 3.49Å; A274-V317 PolarHBondContact O-N 3.07Å; A274-L345 HydrophobicContact CB-CD1 3.98Å
275F90.3Very high78.6Confident1 Ų151.7 Ų51.70%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-145.6170.7-17559.7-83.1000111.7Y215 T272 A299 Y313 Q314Y215-F275 VanDerWaalsContact CB-CE2 3.4Å; Y215-F275 HydrophobicContact CD1-CE2 4.15Å; Y215-F275 HydrophobicContact CD1-CZ 4.45Å; Y215-F275 HydrophobicContact CD2-CD2 4.07Å; Y215-F275 HydrophobicContact CD2-CE2 4.09Å; Y215-F275 WeakPolarHBondContact CD2-O 3.47Å; Y215-F275 HydrophobicContact CG-CD2 4.02Å; Y215-F275 AromaticContact CG-CE2 3.63Å; Y215-F275 HydrophobicContact CG-CE2 3.63Å; Y215-F275 HydrophobicContact CG-CZ 4.04Å; Y215-F275 PolarHBondContact N-O 3.04Å; Y215-F275 PolarHBondContact O-N 3.28Å; T272-F275 HydrophobicContact CG2-CB 3.91Å; T272-F275 HydrophobicContact CG2-CD1 3.94Å; T272-F275 HydrophobicContact CG2-CG 4.32Å; F275-A299 HydrophobicContact CE2-CB 4.15Å; F275-Y313 AromaticContact CD2-CD1 3.73Å; F275-Y313 HydrophobicContact CD2-CD1 3.73Å; F275-Y313 HydrophobicContact CD2-CG 4.1Å; F275-Y313 AromaticContact CE2-CD1 3.89Å; F275-Y313 HydrophobicContact CE2-CD1 3.89Å; F275-Y313 HydrophobicContact CE2-CE1 4.36Å; F275-Y313 HydrophobicContact CE2-CG 4.25Å; F275-Q314 CarbonylContact C-O 3.53Å; F275-Q314 VanDerWaalsContact CA-O 3.24Å; F275-Q314 WeakPolarHBondContact CA-O 3.15Å; F275-Q314 VanDerWaalsContact CB-O 3.22Å; F275-Q314 WeakPolarHBondContact CB-O 3.44Å
276T88.5Confident77Confident0 Ų053.5 Ų53.50%027%0.267CS..EExtended strand (participates in β ladder)trans-143.6157.6-178.9-172.70000111.3P211 Q212 G213 T259 T278 Y313 Q314 L316P211-T276 HydrophobicContact CB-CG2 3.61Å; P211-T276 WeakPolarHBondContact CB-OG1 3.4Å; P211-T276 HydrophobicContact CG-CG2 3.94Å; Q212-T276 PolarHBondContact O-OG1 3.16Å; G213-T276 WeakPolarHBondContact O-CB 3.45Å; G213-T276 PolarHBondContact O-OG1 3.49Å; T259-T276 HydrophobicContact CG2-CG2 3.92Å; T276-T278 HydrophobicContact CG2-CG2 3.95Å; T276-Y313 VanDerWaalsContact O-CA 3.27Å; T276-Y313 WeakPolarHBondContact O-CA 3.33Å; T276-Q314 PolarHBondContact N-O 3.12Å; T276-Q314 PolarHBondContact O-N 3.47Å; T276-L316 HydrophobicContact CG2-CD1 4.1Å; T276-L316 HydrophobicContact CG2-CD2 3.82Å; T276-L316 HydrophobicContact CG2-CG 3.76Å
277K86.2Confident75Confident25 Ų2556 Ų5611%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-82.9119.5173.2-176.5-176.9168.9-168.70108.9P211 Q212 Y215 E280 P311 V312 Y313P211-K277 WeakPolarHBondContact CB-O 3.41Å; Q212-K277 HydrophobicContact CB-CB 4.27Å; Q212-K277 PolarHBondContact N-O 3.14Å; Q212-K277 WeakPolarHBondContact O-CB 3.1Å; Q212-K277 PolarHBondContact O-N 3.15Å; Y215-K277 HydrophobicContact CE2-CB 4.48Å; K277-E280 IonicContact NZ-OE1 4Å; K277-E280 PolarHBondContact NZ-OE1 2.77Å; K277-P311 HydrophobicContact CD-CB 4.08Å; K277-P311 HydrophobicContact CG-CB 4.29Å; K277-V312 CarbonylContact C-O 3.55Å; K277-V312 WeakPolarHBondContact CA-O 3.28Å; K277-Y313 HydrophobicContact CB-CD1 3.96Å; K277-Y313 HydrophobicContact CB-CE1 3.65Å; K277-Y313 HydrophobicContact CG-CE1 4.25Å
278T85.4Confident73.4Confident24 Ų2457.9 Ų57.915%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-101.9-13.2-177.357.70000113.6L207 P211 T259 T276 V312 Q314L207-T278 HydrophobicContact CD1-CG2 3.97Å; L207-T278 HydrophobicContact CD2-CG2 3.88Å; P211-T278 HydrophobicContact CB-CG2 4.42Å; T259-T278 HydrophobicContact CG2-CG2 3.83Å; T276-T278 HydrophobicContact CG2-CG2 3.95Å; T278-V312 PolarHBondContact N-O 3.43Å; T278-V312 PolarHBondContact OG1-O 2.97Å; T278-Q314 HydrophobicContact CG2-CB 4Å; T278-Q314 HydrophobicContact CG2-CG 4.22Å
279G79.5Confident72Confident21 Ų2155.3 Ų55.322%0.21628%0.279CS..EExtended strand (participates in β ladder)trans174.9-166.6177.900000113.4V312G279-V312 PolarHBondContact O-N 3.45Å
280E74.9Confident70.2Confident119 Ų11958.9 Ų58.956%0.55631%0.309SS*.EExtended strand (participates in β ladder)trans-132.4133.1172.9-66.3-179.2-178.900108.7K277 F310K277-E280 IonicContact NZ-OE1 4Å; K277-E280 PolarHBondContact NZ-OE1 2.77Å; E280-F310 CarbonylContact C-O 3.56Å; E280-F310 WeakPolarHBondContact CA-O 3.11Å
281Y64.5Low68.4Low21 Ų2160.6 Ų60.68%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-99.1142177.1-179-88000109.7M285 Q286 V293 T309 F310Y281-M285 WeakPolarHBondContact CE2-O 3.01Å; Y281-M285 PolarHBondContact OH-O 3.19Å; Y281-Q286 WeakPolarHBondContact OH-CA 3.49Å; Y281-V293 HydrophobicContact CE1-CG2 4.32Å; Y281-V293 HydrophobicContact CE2-CG2 4.02Å; Y281-T309 CarbonylContact O-C 3.5Å; Y281-T309 WeakPolarHBondContact O-CA 3.06Å; Y281-T309 WeakPolarHBondContact O-CB 3.49Å; Y281-F310 AromaticContact CD1-CD1 3.97Å; Y281-F310 HydrophobicContact CD1-CD1 3.97Å; Y281-F310 HydrophobicContact CD1-CD2 4.47Å; Y281-F310 AromaticContact CD1-CE1 3.14Å; Y281-F310 HydrophobicContact CD1-CE1 3.14Å; Y281-F310 AromaticContact CD1-CE2 3.73Å; Y281-F310 HydrophobicContact CD1-CE2 3.73Å; Y281-F310 AromaticContact CD1-CZ 2.98Å; Y281-F310 HydrophobicContact CD1-CZ 2.98Å; Y281-F310 HydrophobicContact CD2-CZ 4.45Å; Y281-F310 AromaticContact CE1-CE1 3.66Å; Y281-F310 HydrophobicContact CE1-CE1 3.66Å; Y281-F310 AromaticContact CE1-CZ 3.51Å; Y281-F310 HydrophobicContact CE1-CZ 3.51Å; Y281-F310 HydrophobicContact CG-CE1 4.03Å; Y281-F310 AromaticContact CG-CE2 3.76Å; Y281-F310 HydrophobicContact CG-CE2 3.76Å; Y281-F310 AromaticContact CG-CZ 3.5Å; Y281-F310 HydrophobicContact CG-CZ 3.5Å; Y281-F310 VanDerWaalsContact CG-CZ 3.5Å; Y281-F310 PolarHBondContact N-O 2.7Å; Y281-F310 PolarHBondContact O-N 2.89Å
282S59.6Low66.6Low39 Ų3963 Ų6327%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-108.9131.1169.71790000109.7R284 M285 G308S282-R284 PolarHBondContact O-N 2.99Å; S282-R284 PolarHBondContact OG-N 3.03Å; S282-M285 PolarHBondContact O-N 2.85Å; S282-G308 CarbonylContact C-O 3.53Å; S282-G308 WeakPolarHBondContact CA-O 3.49Å
283G56Low64.7Low53 Ų5364.8 Ų64.855%0.54635%0.345SS..THydrogen-bonded Turntrans-53.6-18174.400000114.6G308G283-G308 PolarHBondContact N-O 3.15Å
284R53.5Low62.8Low240 Ų24069.6 Ų69.691%0.90637%0.371SS*.THydrogen-bonded Turntrans-79.3-18.7174.5-71.2-174.9178-178.2-0.4114.5S282S282-R284 PolarHBondContact O-N 2.99Å; S282-R284 PolarHBondContact OG-N 3.03Å
285M45.9Very low60.9Low125 Ų12570.4 Ų70.462%0.61638%0.375SS*.  trans-109.8107.3176.4-69.917894.700108.6Y281 S282 T287Y281-M285 WeakPolarHBondContact CE2-O 3.01Å; Y281-M285 PolarHBondContact OH-O 3.19Å; S282-M285 PolarHBondContact O-N 2.85Å; M285-T287 PolarHBondContact O-N 3.19Å
286Q48.2Very low59.6Low174 Ų17470.8 Ų70.881%0.81338%0.377SS*.SBendtrans-65.8-3.2175.7-77.5-177.2-5.800113.7Y281Y281-Q286 WeakPolarHBondContact OH-CA 3.49Å
287T41.2Very low58.5Low89 Ų8972.7 Ų72.755%0.54639%0.39SS..  trans-139.8130.9-175.158.50000112.5M285M285-T287 PolarHBondContact O-N 3.19Å
288Y46.2Very low57.7Low109 Ų10972.6 Ų72.643%0.42739%0.392SS..SBendtrans-125.9118.5153.3-176.1-89.8000103.8S290 K296Y288-S290 PolarHBondContact O-N 3.16Å; Y288-K296 WeakPolarHBondContact O-CE 3.35Å; Y288-K296 PolarHBondContact O-NZ 3.01Å
289D53.8Low56.7Low35 Ų3571.9 Ų71.919%0.18739%0.388CS..THydrogen-bonded Turntrans36.355-173.7-64.2-32.9000115R208 L291R208-D289 IonicContact CZ-OD1 2.7Å; R208-D289 IonicContact CZ-OD2 2.87Å; R208-D289 IonicContact NH1-OD1 2.91Å; R208-D289 PolarHBondContact NH1-OD1 2.93Å; R208-D289 IonicContact NH1-OD2 3.89Å; R208-D289 PolarHBondContact NH1-OD2 2.95Å; R208-D289 IonicContact NH2-OD1 2.67Å; R208-D289 PolarHBondContact NH2-OD1 2.79Å; R208-D289 VanDerWaalsContact NH2-OD1 3.09Å; R208-D289 IonicContact NH2-OD2 3.77Å; D289-L291 PolarHBondContact O-N 2.78Å
290S49Very low55.7Low109 Ų10974.5 Ų74.576%0.76240%0.398SS*.THydrogen-bonded Turntrans62.121.8159.348.50000121.5Y288Y288-S290 PolarHBondContact O-N 3.16Å
291L51.9Low54.5Low46 Ų4673.6 Ų73.624%0.24139%0.39CS..SBendtrans-124.5159.1171.4-74.3171000114.7W194 D289 M295 K296W194-L291 HydrophobicContact CD2-CD1 3.91Å; W194-L291 HydrophobicContact CE3-CD1 3.96Å; W194-L291 HydrophobicContact CG-CD1 4.47Å; W194-L291 HydrophobicContact CH2-CD1 4.14Å; W194-L291 HydrophobicContact CZ2-CD1 4.12Å; W194-L291 HydrophobicContact CZ3-CD1 4.06Å; D289-L291 PolarHBondContact O-N 2.78Å; L291-M295 HydrophobicContact CD1-SD 4.4Å; L291-M295 HydrophobicContact CD2-SD 3.95Å; L291-K296 WeakPolarHBondContact O-CE 3.49Å; L291-K296 PolarHBondContact O-NZ 2.62Å
292P52Low53.8Low72 Ų7277 Ų7747%0.46842%0.416SS..  trans-59.9151.6175.4-22.433.2000113.9D294 M295P292-D294 PolarHBondContact O-N 3.48Å; P292-M295 PolarHBondContact O-N 2.96Å; P292-M295 VanDerWaalsContact O-N 3.1Å
293V49.1Very low52.9Low54 Ų5481.4 Ų81.433%0.32744%0.442SS..G310 helixtrans-56.8-34.7-179.9177.30000112.1Y281 M295 K296 F310Y281-V293 HydrophobicContact CE1-CG2 4.32Å; Y281-V293 HydrophobicContact CE2-CG2 4.02Å; V293-M295 PolarHBondContact O-N 3.31Å; V293-M295 VanDerWaalsContact O-N 3.14Å; V293-K296 WeakPolarHBondContact O-CB 3.5Å; V293-K296 PolarHBondContact O-N 2.95Å; V293-F310 HydrophobicContact CG1-CE2 4.04Å; V293-F310 HydrophobicContact CG1-CZ 3.79Å
294D52.6Low52.3Low104 Ų10487.1 Ų87.156%0.55645%0.454SS*.G310 helixtrans-64.7-19.1-179-45.3-22000113K267 P292K267-D294 WeakPolarHBondContact CE-O 3.33Å; K267-D294 PolarHBondContact NZ-O 3.32Å; P292-D294 PolarHBondContact O-N 3.48Å
295M51.6Low52Low18 Ų1877.9 Ų77.99%0.08943%0.427CS..G310 helixtrans-91.9-5.1174.8-60-17183.300113Y203 V261 T264 L291 P292 V293Y203-M295 HydrophobicContact CD2-CE 4.08Å; Y203-M295 HydrophobicContact CE2-CE 3.85Å; V261-M295 HydrophobicContact CG1-CB 4.48Å; V261-M295 VanDerWaalsContact CG1-O 3.24Å; V261-M295 WeakPolarHBondContact CG1-O 3.32Å; T264-M295 WeakPolarHBondContact OG1-CG 3.09Å; T264-M295 PolarHBondContact OG1-SD 3.38Å; T264-M295 VanDerWaalsContact OG1-SD 3.36Å; L291-M295 HydrophobicContact CD1-SD 4.4Å; L291-M295 HydrophobicContact CD2-SD 3.95Å; P292-M295 PolarHBondContact O-N 2.96Å; P292-M295 VanDerWaalsContact O-N 3.1Å; V293-M295 PolarHBondContact O-N 3.31Å; V293-M295 VanDerWaalsContact O-N 3.14Å
296K61.8Low52.2Low10 Ų1081.3 Ų81.34%0.04344%0.441CS..THydrogen-bonded Turntrans-94.5-36.9-169.1-66.7-178.8-174.6159.80113.5Y288 L291 V293 V312 Q314Y288-K296 WeakPolarHBondContact O-CE 3.35Å; Y288-K296 PolarHBondContact O-NZ 3.01Å; L291-K296 WeakPolarHBondContact O-CE 3.49Å; L291-K296 PolarHBondContact O-NZ 2.62Å; V293-K296 WeakPolarHBondContact O-CB 3.5Å; V293-K296 PolarHBondContact O-N 2.95Å; K296-V312 HydrophobicContact CB-CG1 3.83Å; K296-V312 WeakPolarHBondContact O-CG1 3.48Å; K296-Q314 WeakPolarHBondContact O-CG 3.33Å
297S66.2Low52.5Low40 Ų4076.4 Ų76.428%0.2843%0.426SS..  trans-108.4127.6178.7-162.10000111.6A299 Y313S297-A299 PolarHBondContact OG-N 2.03Å; S297-A299 PolarHBondContact OG-O 3.33Å; S297-Y313 CarbonylContact C-O 3.54Å; S297-Y313 VanDerWaalsContact CA-O 3.25Å; S297-Y313 WeakPolarHBondContact CA-O 3.02Å
298C69.7Low53.6Low23 Ų2375 Ų7516%0.15543%0.429CS..SBendtrans-83.4-19.8161.561.90000112.1C60 D61 Y313C60-C298 CarbonylContact C-O 3.38Å; C60-C298 WeakPolarHBondContact CA-O 3.24Å; C60-C298 WeakPolarHBondContact CB-O 3.45Å; C60-C298 VanDerWaalsContact SG-C 3.57Å; C60-C298 PolarHBondContact SG-O 3.42Å; C60-C298 VanDerWaalsContact SG-O 3.32Å; D61-C298 PolarHBondContact N-O 3.08Å; D61-C298 VanDerWaalsContact N-O 3.11Å; C298-Y313 PolarHBondContact N-O 2.83Å; C298-Y313 PolarHBondContact SG-O 3.36Å
299A62.4Low54.5Low8 Ų872.5 Ų72.57%0.06643%0.425CS..EExtended strand (participates in β ladder)trans-99.8132.9-176.500000112.8Q59 F275 S297 Y313Q59-A299 CarbonylContact O-C 3.45Å; Q59-A299 WeakPolarHBondContact O-CA 3.44Å; F275-A299 HydrophobicContact CE2-CB 4.15Å; S297-A299 PolarHBondContact OG-N 2.03Å; S297-A299 PolarHBondContact OG-O 3.33Å; A299-Y313 HydrophobicContact CB-CD2 3.99Å; A299-Y313 HydrophobicContact CB-CG 4.14Å
300N58.7Low55.3Low77 Ų7774 Ų7441%0.41243%0.43SS..EExtended strand (participates in β ladder)trans-74.8129.1164.5-82.2-11.1000110.3Q59 D61Q59-N300 PolarHBondContact O-N 3.44Å; D61-N300 PolarHBondContact OD1-ND2 2.9Å; D61-N300 PolarHBondContact OD2-OD1 2.68Å
301Y50.8Low56.6Low100 Ų10070.1 Ų70.139%0.39240%0.402SS..PPolyproline II helixtrans-88127.6173.3-173.4-107.1000109.4Y58 T303 S305Y58-Y301 HydrophobicContact CE1-CD2 4.25Å; Y301-T303 PolarHBondContact O-N 2.99Å; Y301-S305 WeakPolarHBondContact CE1-OG 3.33Å; Y301-S305 WeakPolarHBondContact OH-CB 3.32Å
302S48.5Very low57.9Low91 Ų9168.4 Ų68.464%0.63639%0.394SS*.PPolyproline II helixtrans-67.4117.1166.255.10000108.4E304S302-E304 PolarHBondContact O-N 3.3Å
303T42.2Very low59.4Low133 Ų13365.5 Ų65.582%0.81637%0.374SS*.SBendtrans-47.793.9-176.647.60000114Y301Y301-T303 PolarHBondContact O-N 2.99Å
304E42.3Very low61.3Low172 Ų17263.2 Ų63.280%0.80436%0.36SS*.  trans-16125.8166.7-117.1172-137.400116.2S302S302-E304 PolarHBondContact O-N 3.3Å
305S47.1Very low63.2Low47 Ų4758.3 Ų58.333%0.32933%0.333SS..  trans-106.5103.4171.1650000111.8Y301 S307Y301-S305 WeakPolarHBondContact CE1-OG 3.33Å; Y301-S305 WeakPolarHBondContact OH-CB 3.32Å; S305-S307 PolarHBondContact O-N 3.37Å
306H50.3Low65.1Low196 Ų19657.5 Ų57.591%0.90733%0.329SS*.  trans-75.3-7.4169.7-71.2-62.7000113.7
307S55.3Low66.7Low71 Ų7157 Ų5750%0.49733%0.327SS..SBendtrans-78.6122.3168.5580000108.3S305 T309S305-S307 PolarHBondContact O-N 3.37Å; S307-T309 PolarHBondContact O-N 3.11Å
308G63.7Low68Low59 Ų5955.1 Ų55.161%0.60831%0.314SS*.SBendtrans-61.420.7179.800000116.4S282 G283S282-G308 CarbonylContact C-O 3.53Å; S282-G308 WeakPolarHBondContact CA-O 3.49Å; G283-G308 PolarHBondContact N-O 3.15Å
309T65.3Low69.2Low58 Ų5854.1 Ų54.136%0.35631%0.307SS..EExtended strand (participates in β ladder)trans-114.9135170.645.70000111.8Y281 S307Y281-T309 CarbonylContact O-C 3.5Å; Y281-T309 WeakPolarHBondContact O-CA 3.06Å; Y281-T309 WeakPolarHBondContact O-CB 3.49Å; S307-T309 PolarHBondContact O-N 3.11Å
310F70.7Confident70.7Confident65 Ų6553.7 Ų53.729%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-129.6141.9177.354-96.9000112.6E280 Y281 V293E280-F310 CarbonylContact C-O 3.56Å; E280-F310 WeakPolarHBondContact CA-O 3.11Å; Y281-F310 AromaticContact CD1-CD1 3.97Å; Y281-F310 HydrophobicContact CD1-CD1 3.97Å; Y281-F310 HydrophobicContact CD1-CD2 4.47Å; Y281-F310 AromaticContact CD1-CE1 3.14Å; Y281-F310 HydrophobicContact CD1-CE1 3.14Å; Y281-F310 AromaticContact CD1-CE2 3.73Å; Y281-F310 HydrophobicContact CD1-CE2 3.73Å; Y281-F310 AromaticContact CD1-CZ 2.98Å; Y281-F310 HydrophobicContact CD1-CZ 2.98Å; Y281-F310 HydrophobicContact CD2-CZ 4.45Å; Y281-F310 AromaticContact CE1-CE1 3.66Å; Y281-F310 HydrophobicContact CE1-CE1 3.66Å; Y281-F310 AromaticContact CE1-CZ 3.51Å; Y281-F310 HydrophobicContact CE1-CZ 3.51Å; Y281-F310 HydrophobicContact CG-CE1 4.03Å; Y281-F310 AromaticContact CG-CE2 3.76Å; Y281-F310 HydrophobicContact CG-CE2 3.76Å; Y281-F310 AromaticContact CG-CZ 3.5Å; Y281-F310 HydrophobicContact CG-CZ 3.5Å; Y281-F310 VanDerWaalsContact CG-CZ 3.5Å; Y281-F310 PolarHBondContact N-O 2.7Å; Y281-F310 PolarHBondContact O-N 2.89Å; V293-F310 HydrophobicContact CG1-CE2 4.04Å; V293-F310 HydrophobicContact CG1-CZ 3.79Å
311P75.8Confident72.3Confident28 Ų2851.5 Ų51.518%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-67.3145177.429.2-35.7000111.8K277 Y313K277-P311 HydrophobicContact CD-CB 4.08Å; K277-P311 HydrophobicContact CG-CB 4.29Å; P311-Y313 HydrophobicContact CB-CE2 3.76Å; P311-Y313 HydrophobicContact CG-CE2 3.69Å
312V79.8Confident74.3Confident11 Ų1147.2 Ų47.27%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-106127.5178.9179.60000109.4K277 T278 G279 K296K277-V312 CarbonylContact C-O 3.55Å; K277-V312 WeakPolarHBondContact CA-O 3.28Å; T278-V312 PolarHBondContact N-O 3.43Å; T278-V312 PolarHBondContact OG1-O 2.97Å; G279-V312 PolarHBondContact O-N 3.45Å; K296-V312 HydrophobicContact CB-CG1 3.83Å; K296-V312 WeakPolarHBondContact O-CG1 3.48Å
313Y84.4Confident76.3Confident11 Ų1147.8 Ų47.84%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-120133.4-178.6-66.7-80.6000112.4Y58 Y215 F275 T276 K277 S297 C298 A299 P311Y58-Y313 HydrophobicContact CE1-CE2 4.46Å; Y215-Y313 HydrophobicContact CD2-CD1 4.46Å; Y215-Y313 HydrophobicContact CD2-CE1 4.26Å; Y215-Y313 HydrophobicContact CE1-CE1 4.19Å; Y215-Y313 HydrophobicContact CE2-CD1 4.29Å; Y215-Y313 AromaticContact CE2-CE1 3.76Å; Y215-Y313 HydrophobicContact CE2-CE1 3.76Å; Y215-Y313 AromaticContact CZ-CE1 3.72Å; F275-Y313 AromaticContact CD2-CD1 3.73Å; F275-Y313 HydrophobicContact CD2-CD1 3.73Å; F275-Y313 HydrophobicContact CD2-CG 4.1Å; F275-Y313 AromaticContact CE2-CD1 3.89Å; F275-Y313 HydrophobicContact CE2-CD1 3.89Å; F275-Y313 HydrophobicContact CE2-CE1 4.36Å; F275-Y313 HydrophobicContact CE2-CG 4.25Å; T276-Y313 VanDerWaalsContact O-CA 3.27Å; T276-Y313 WeakPolarHBondContact O-CA 3.33Å; K277-Y313 HydrophobicContact CB-CD1 3.96Å; K277-Y313 HydrophobicContact CB-CE1 3.65Å; K277-Y313 HydrophobicContact CG-CE1 4.25Å; S297-Y313 CarbonylContact C-O 3.54Å; S297-Y313 VanDerWaalsContact CA-O 3.25Å; S297-Y313 WeakPolarHBondContact CA-O 3.02Å; C298-Y313 PolarHBondContact N-O 2.83Å; C298-Y313 PolarHBondContact SG-O 3.36Å; A299-Y313 HydrophobicContact CB-CD2 3.99Å; A299-Y313 HydrophobicContact CB-CG 4.14Å; P311-Y313 HydrophobicContact CB-CE2 3.76Å; P311-Y313 HydrophobicContact CG-CE2 3.69Å
314Q88.6Confident78.6Confident6 Ų646.1 Ų46.13%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-132.4154.8178.3-65176.7-27.400111.5W194 H205 T259 V261 F275 T276 T278 K296W194-Q314 VanDerWaalsContact CH2-NE2 3.33Å; H205-Q314 PolarHBondContact ND1-NE2 3.36Å; H205-Q314 PolarHBondContact ND1-OE1 3.31Å; T259-Q314 HydrophobicContact CG2-CB 3.87Å; T259-Q314 PolarHBondContact OG1-OE1 3.11Å; V261-Q314 HydrophobicContact CG2-CB 4.42Å; V261-Q314 HydrophobicContact CG2-CG 4.13Å; F275-Q314 CarbonylContact C-O 3.53Å; F275-Q314 VanDerWaalsContact CA-O 3.24Å; F275-Q314 WeakPolarHBondContact CA-O 3.15Å; F275-Q314 VanDerWaalsContact CB-O 3.22Å; F275-Q314 WeakPolarHBondContact CB-O 3.44Å; T276-Q314 PolarHBondContact N-O 3.12Å; T276-Q314 PolarHBondContact O-N 3.47Å; T278-Q314 HydrophobicContact CG2-CB 4Å; T278-Q314 HydrophobicContact CG2-CG 4.22Å; K296-Q314 WeakPolarHBondContact O-CG 3.33Å
315S91.3Very high81Confident1 Ų139.8 Ų39.81%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-73.2131.8-173.2-52.30000111.3T259 L260 T272T259-S315 CarbonylContact C-O 3.57Å; T259-S315 VanDerWaalsContact CA-O 3.27Å; T259-S315 WeakPolarHBondContact CA-O 3.5Å; T259-S315 WeakPolarHBondContact CB-O 3.16Å; L260-S315 PolarHBondContact N-O 2.97Å; L260-S315 WeakPolarHBondContact O-CB 3.09Å; L260-S315 PolarHBondContact O-N 3.29Å; T272-S315 WeakPolarHBondContact CG2-OG 3.02Å; T272-S315 PolarHBondContact OG1-OG 3.4Å
316L92.6Very high83.1Confident1 Ų140 Ų401%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-92.1-35.9167.5-75.4177.3000111.3F214 L236 C256 T259 A274 T276 A333 F334F214-L316 HydrophobicContact CB-CD1 4.43Å; L236-L316 HydrophobicContact CD1-CD1 4.08Å; C256-L316 HydrophobicContact CB-CD2 3.92Å; T259-L316 HydrophobicContact CG2-CD2 4.28Å; A274-L316 PolarHBondContact O-N 2.72Å; T276-L316 HydrophobicContact CG2-CD1 4.1Å; T276-L316 HydrophobicContact CG2-CD2 3.82Å; T276-L316 HydrophobicContact CG2-CG 3.76Å; L316-A333 WeakPolarHBondContact O-CB 3.08Å; L316-A333 PolarHBondContact O-N 3.45Å; L316-F334 HydrophobicContact CB-CD1 4.37Å; L316-F334 HydrophobicContact CB-CE1 4.07Å; L316-F334 HydrophobicContact CD2-CD1 4.32Å
317V94.8Very high85.3Confident0 Ų030.8 Ų30.80%019%0.194CC..EExtended strand (participates in β ladder)trans-134.5131.7178.4-171.80000108.7I273 A274 V330 L331 F332 F334 L345I273-V317 HydrophobicContact CB-CB 4.17Å; I273-V317 HydrophobicContact CB-CG1 4.09Å; I273-V317 WeakPolarHBondContact CB-O 3.33Å; I273-V317 HydrophobicContact CD1-CG1 3.9Å; I273-V317 HydrophobicContact CG2-CG1 4.32Å; I273-V317 PolarHBondContact N-O 3.43Å; A274-V317 HydrophobicContact CB-CB 4.12Å; A274-V317 HydrophobicContact CB-CG2 4.18Å; A274-V317 PolarHBondContact N-O 3.49Å; A274-V317 PolarHBondContact O-N 3.07Å; V317-V330 HydrophobicContact CG1-CG1 3.82Å; V317-L331 VanDerWaalsContact CA-O 3.32Å; V317-L331 WeakPolarHBondContact CA-O 3.26Å; V317-F332 HydrophobicContact CB-CD1 4.44Å; V317-F332 HydrophobicContact CG1-CD1 4.03Å; V317-F332 HydrophobicContact CG1-CD2 4.39Å; V317-F332 HydrophobicContact CG1-CE1 3.89Å; V317-F332 HydrophobicContact CG1-CE2 4.26Å; V317-F332 HydrophobicContact CG1-CG 4.27Å; V317-F332 HydrophobicContact CG1-CZ 4.01Å; V317-F332 HydrophobicContact CG2-CD1 3.52Å; V317-F332 HydrophobicContact CG2-CE1 3.8Å; V317-F332 HydrophobicContact CG2-CG 4.24Å; V317-F334 HydrophobicContact CG2-CE1 3.72Å; V317-F334 HydrophobicContact CG2-CZ 4.01Å; V317-L345 HydrophobicContact CB-CD1 4.49Å; V317-L345 HydrophobicContact CG2-CD1 3.88Å
318L93.6Very high87.2Confident0 Ų029.1 Ų29.10%018%0.179CC..EExtended strand (participates in β ladder)trans-141.5131.4-169.6-176.3151.8000110.4L202 L260 P262 Y270 N271 L331L202-L318 HydrophobicContact CD1-CD1 4.14Å; L202-L318 HydrophobicContact CD1-CD2 4.45Å; L202-L318 HydrophobicContact CD2-CD2 4.5Å; L260-L318 HydrophobicContact CB-CB 4.46Å; L260-L318 HydrophobicContact CB-CD1 4.21Å; L260-L318 HydrophobicContact CD1-CB 3.92Å; P262-L318 HydrophobicContact CG-CD1 3.83Å; Y270-L318 HydrophobicContact CD1-CD2 3.15Å; Y270-L318 HydrophobicContact CD1-CG 4.4Å; Y270-L318 HydrophobicContact CE1-CD2 4.02Å; Y270-L318 HydrophobicContact CG-CD1 4.48Å; Y270-L318 HydrophobicContact CG-CD2 3.58Å; Y270-L318 HydrophobicContact CG-CG 4.46Å; N271-L318 WeakPolarHBondContact O-CA 3.31Å; L318-L331 PolarHBondContact N-O 3.24Å; L318-L331 PolarHBondContact O-N 2.92Å
319E95.1Very high88.8Confident1 Ų126.3 Ų26.31%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-85.9119.3173.7-176.4-166.2-17000108.8S221 Y270 N271 I273 V321 Q328 R329 Y352S221-E319 PolarHBondContact OG-OE2 3.06Å; Y270-E319 CarbonylContact C-O 3.49Å; Y270-E319 WeakPolarHBondContact CA-O 3.39Å; N271-E319 HydrophobicContact CB-CB 4.15Å; N271-E319 PolarHBondContact N-O 3.32Å; N271-E319 PolarHBondContact ND2-OE2 3.29Å; N271-E319 PolarHBondContact O-N 3.07Å; I273-E319 HydrophobicContact CD1-CB 3.89Å; I273-E319 HydrophobicContact CG1-CB 4.25Å; E319-V321 HydrophobicContact CG-CG1 4.2Å; E319-Q328 PolarHBondContact OE1-NE2 3.06Å; E319-R329 CarbonylContact C-O 3.54Å; E319-R329 WeakPolarHBondContact CA-O 3.36Å; E319-Y352 WeakPolarHBondContact OE1-CE1 3.13Å; E319-Y352 VanDerWaalsContact OE1-CZ 3.23Å; E319-Y352 PolarHBondContact OE1-OH 3.37Å
320D94.6Very high90.3Very high0 Ų023.6 Ų23.60%013%0.133CC..EExtended strand (participates in β ladder)trans-83.7111.3160.3178.8-1.2000108.1Y270 G322 Q328 R329Y270-D320 HydrophobicContact CD1-CB 3.96Å; Y270-D320 HydrophobicContact CE1-CB 3.78Å; D320-G322 PolarHBondContact O-N 3.35Å; D320-G322 WeakPolarHBondContact OD1-CA 3.29Å; D320-G322 PolarHBondContact OD1-N 2.97Å; D320-Q328 CarbonylContact O-C 3.5Å; D320-Q328 WeakPolarHBondContact O-CA 3.27Å; D320-Q328 WeakPolarHBondContact O-CG 3.19Å; D320-R329 HydrophobicContact CB-CB 3.86Å; D320-R329 HydrophobicContact CB-CG 4.15Å; D320-R329 PolarHBondContact N-O 2.9Å; D320-R329 PolarHBondContact O-N 3.33Å; D320-R329 IonicContact OD2-CZ 3.19Å; D320-R329 IonicContact OD2-NH1 3.57Å; D320-R329 PolarHBondContact OD2-NH1 3.09Å
321V91.4Very high91.6Very high31 Ų3120.5 Ų20.519%0.18812%0.119CC..  trans-73.7-3.8-178.1-62.80000112.6F68 F269 N271 E319 L323F68-V321 HydrophobicContact CZ-CG1 3.83Å; F269-V321 VanDerWaalsContact O-CG2 3.22Å; F269-V321 WeakPolarHBondContact O-CG2 3.48Å; F269-V321 PolarHBondContact O-N 2.95Å; F269-V321 VanDerWaalsContact O-N 3.12Å; N271-V321 WeakPolarHBondContact ND2-CG1 2.99Å; E319-V321 HydrophobicContact CG-CG1 4.2Å; V321-L323 HydrophobicContact CG2-CB 4.18Å; V321-L323 HydrophobicContact CG2-CD1 3.7Å; V321-L323 HydrophobicContact CG2-CG 3.58Å
322G92.1Very high92.6Very high9 Ų919.1 Ų19.19%0.09311%0.111CC..SBendtrans80.517177.900000114.1D320 F324 G326 I327D320-G322 PolarHBondContact O-N 3.35Å; D320-G322 WeakPolarHBondContact OD1-CA 3.29Å; D320-G322 PolarHBondContact OD1-N 2.97Å; G322-F324 PolarHBondContact O-N 3.48Å; G322-G326 WeakPolarHBondContact O-CA 3.31Å; G322-G326 PolarHBondContact O-N 3.16Å; G322-I327 WeakPolarHBondContact CA-O 3.38Å
323L91.4Very high93.3Very high103 Ų10318.6 Ų18.654%0.53911%0.108SC..THydrogen-bonded Turntrans-68-22.4178.7-75.7177.1000113.5Q268 F269 V321Q268-L323 WeakPolarHBondContact O-CD1 3.37Å; F269-L323 HydrophobicContact CB-CB 4.47Å; F269-L323 HydrophobicContact CD1-CB 3.44Å; F269-L323 VanDerWaalsContact CD1-CB 3.44Å; F269-L323 HydrophobicContact CD1-CD1 3.84Å; F269-L323 HydrophobicContact CD1-CG 4.3Å; F269-L323 HydrophobicContact CE1-CB 3.84Å; F269-L323 HydrophobicContact CE1-CD1 4.41Å; F269-L323 HydrophobicContact CG-CB 4.06Å; V321-L323 HydrophobicContact CG2-CB 4.18Å; V321-L323 HydrophobicContact CG2-CD1 3.7Å; V321-L323 HydrophobicContact CG2-CG 3.58Å
324F90.7Very high93.7Very high98 Ų9818.1 Ų18.143%0.4311%0.106SC..THydrogen-bonded Turntrans-79.4-44.6-179.5-179.3-111.2000112.8L200 P201 F269 G322L200-F324 HydrophobicContact CD2-CD1 4.29Å; P201-F324 HydrophobicContact CG-CD2 4.1Å; P201-F324 HydrophobicContact CG-CG 4.22Å; F269-F324 HydrophobicContact CD2-CB 3.95Å; F269-F324 HydrophobicContact CE2-CB 4.04Å; F269-F324 HydrophobicContact CE2-CD2 4.01Å; F269-F324 HydrophobicContact CE2-CG 4.5Å; G322-F324 PolarHBondContact O-N 3.48Å
325D92.4Very high93.7Very high39 Ų3921 Ų2121%0.20912%0.116CC..THydrogen-bonded Turntrans-136.72.9-170.560.612000115K171 I327 R329K171-D325 WeakPolarHBondContact CD-O 3.31Å; D325-I327 PolarHBondContact OD1-N 3.33Å; D325-I327 VanDerWaalsContact OD1-N 3.11Å; D325-R329 IonicContact OD1-CZ 2.81Å; D325-R329 IonicContact OD1-NH1 3.06Å; D325-R329 PolarHBondContact OD1-NH1 3.29Å; D325-R329 IonicContact OD1-NH2 3.32Å; D325-R329 PolarHBondContact OD1-NH2 3.05Å; D325-R329 IonicContact OD2-CZ 3.53Å; D325-R329 VanDerWaalsContact OD2-CZ 3.28Å; D325-R329 IonicContact OD2-NH1 2.89Å; D325-R329 PolarHBondContact OD2-NH1 3.42Å; D325-R329 IonicContact OD2-NH2 3.29Å; D325-R329 PolarHBondContact OD2-NH2 3.04Å
326G92Very high93.6Very high51 Ų5121.3 Ų21.353%0.52612%0.118SC..SBendtrans855.9178.900000115.2G322G322-G326 WeakPolarHBondContact O-CA 3.31Å; G322-G326 PolarHBondContact O-N 3.16Å
327I94.8Very high93.2Very high3 Ų322.9 Ų22.92%0.01513%0.134CC..  trans-112.7120.1-178.4-59.4169.2000109.5D167 C170 K171 V177 G322 D325 R329D167-I327 HydrophobicContact CB-CD1 3.68Å; D167-I327 WeakPolarHBondContact OD1-CD1 3.27Å; C170-I327 HydrophobicContact CB-CD1 4Å; C170-I327 HydrophobicContact CB-CG1 4.1Å; C170-I327 HydrophobicContact CB-CG2 4.25Å; K171-I327 HydrophobicContact CG-CD1 4.43Å; K171-I327 HydrophobicContact CG-CG1 3.82Å; V177-I327 HydrophobicContact CG2-CG2 3.83Å; G322-I327 WeakPolarHBondContact CA-O 3.38Å; D325-I327 PolarHBondContact OD1-N 3.33Å; D325-I327 VanDerWaalsContact OD1-N 3.11Å; I327-R329 HydrophobicContact CG2-CG 4.15Å; I327-R329 PolarHBondContact O-NH1 2.67Å; I327-R329 VanDerWaalsContact O-NH1 3.08Å
328Q95.4Very high92.3Very high37 Ų3723.3 Ų23.317%0.17314%0.139CC..  trans-79132.8176.5-166.8176.322.100110.6V177 E319 D320 Y352 L353V177-Q328 PolarHBondContact N-O 2.75Å; E319-Q328 PolarHBondContact OE1-NE2 3.06Å; D320-Q328 CarbonylContact O-C 3.5Å; D320-Q328 WeakPolarHBondContact O-CA 3.27Å; D320-Q328 WeakPolarHBondContact O-CG 3.19Å; Q328-Y352 VanDerWaalsContact NE2-CZ 3.34Å; Q328-Y352 PolarHBondContact NE2-OH 3.45Å; Q328-L353 HydrophobicContact CB-CD2 4.34Å; Q328-L353 HydrophobicContact CG-CD2 3.77Å
329R97.1Very high91.8Very high0 Ų024.1 Ų24.10%014%0.143CC..EExtended strand (participates in β ladder)trans-135.8156.3-178.9-34.5-178.1167.873.6-0.7112.6Y155 V177 E319 D320 D325 I327 L331Y155-R329 PolarHBondContact OH-NH2 3.03Å; V177-R329 HydrophobicContact CB-CB 4.29Å; V177-R329 HydrophobicContact CB-CG 4.06Å; V177-R329 CarbonylContact O-C 3.54Å; V177-R329 WeakPolarHBondContact O-CA 2.93Å; E319-R329 CarbonylContact C-O 3.54Å; E319-R329 WeakPolarHBondContact CA-O 3.36Å; D320-R329 HydrophobicContact CB-CB 3.86Å; D320-R329 HydrophobicContact CB-CG 4.15Å; D320-R329 PolarHBondContact N-O 2.9Å; D320-R329 PolarHBondContact O-N 3.33Å; D320-R329 IonicContact OD2-CZ 3.19Å; D320-R329 IonicContact OD2-NH1 3.57Å; D320-R329 PolarHBondContact OD2-NH1 3.09Å; D325-R329 IonicContact OD1-CZ 2.81Å; D325-R329 IonicContact OD1-NH1 3.06Å; D325-R329 PolarHBondContact OD1-NH1 3.29Å; D325-R329 IonicContact OD1-NH2 3.32Å; D325-R329 PolarHBondContact OD1-NH2 3.05Å; D325-R329 IonicContact OD2-CZ 3.53Å; D325-R329 VanDerWaalsContact OD2-CZ 3.28Å; D325-R329 IonicContact OD2-NH1 2.89Å; D325-R329 PolarHBondContact OD2-NH1 3.42Å; D325-R329 IonicContact OD2-NH2 3.29Å; D325-R329 PolarHBondContact OD2-NH2 3.04Å; I327-R329 HydrophobicContact CG2-CG 4.15Å; I327-R329 PolarHBondContact O-NH1 2.67Å; I327-R329 VanDerWaalsContact O-NH1 3.08Å; R329-L331 HydrophobicContact CB-CD2 4.36Å
330V97.9Very high91.1Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-126.2123.1163.9179.50000108.7V177 V178 G179 I222 I273 V317 F332 T349 L353V177-V330 PolarHBondContact O-N 3.42Å; V178-V330 WeakPolarHBondContact CA-O 3.46Å; G179-V330 PolarHBondContact N-O 2.72Å; I222-V330 HydrophobicContact CD1-CG1 4.42Å; I222-V330 HydrophobicContact CD1-CG2 3.5Å; I273-V330 HydrophobicContact CD1-CG1 3.7Å; I273-V330 HydrophobicContact CD1-CG2 4.36Å; V317-V330 HydrophobicContact CG1-CG1 3.82Å; V330-F332 HydrophobicContact CG1-CD2 4.36Å; V330-F332 HydrophobicContact CG1-CE2 3.78Å; V330-F332 HydrophobicContact CG1-CZ 4.36Å; V330-T349 HydrophobicContact CB-CG2 3.62Å; V330-T349 HydrophobicContact CG1-CG2 3.99Å; V330-T349 HydrophobicContact CG2-CG2 3.78Å; V330-L353 HydrophobicContact CG2-CD1 4.12Å; V330-L353 HydrophobicContact CG2-CD2 4.36Å; V330-L353 HydrophobicContact CG2-CG 4.33Å
331L97.5Very high90.7Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-112.6125.8-172.2-60.2-179.6000110F152 G179 L181 L200 L202 L260 V317 L318 R329F152-L331 HydrophobicContact CD1-CD2 4.07Å; F152-L331 HydrophobicContact CD2-CD2 4.13Å; F152-L331 HydrophobicContact CE1-CD2 3.85Å; F152-L331 HydrophobicContact CE2-CD2 3.91Å; F152-L331 HydrophobicContact CG-CD2 4.2Å; F152-L331 HydrophobicContact CZ-CD2 3.76Å; G179-L331 CarbonylContact O-C 3.6Å; G179-L331 WeakPolarHBondContact O-CA 3.46Å; L181-L331 HydrophobicContact CD1-CB 3.98Å; L181-L331 HydrophobicContact CD1-CD2 4.49Å; L200-L331 HydrophobicContact CD1-CD1 4.4Å; L202-L331 HydrophobicContact CD2-CD1 3.56Å; L260-L331 HydrophobicContact CD1-CB 3.72Å; L260-L331 WeakPolarHBondContact CD1-O 3.41Å; V317-L331 VanDerWaalsContact CA-O 3.32Å; V317-L331 WeakPolarHBondContact CA-O 3.26Å; L318-L331 PolarHBondContact N-O 3.24Å; L318-L331 PolarHBondContact O-N 2.92Å; R329-L331 HydrophobicContact CB-CD2 4.36Å
332F96.8Very high90.5Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-103.1117.4174.6-68.1-102.7000108.2V178 G179 F180 L181 V317 V330 F334 L345V178-F332 HydrophobicContact CG1-CD2 4.06Å; V178-F332 HydrophobicContact CG1-CE2 3.84Å; G179-F332 PolarHBondContact O-N 3.28Å; F180-F332 WeakPolarHBondContact CA-O 3.41Å; F180-F332 HydrophobicContact CD1-CB 3.46Å; F180-F332 VanDerWaalsContact CD1-CB 3.46Å; F180-F332 HydrophobicContact CD1-CD2 4.33Å; F180-F332 AromaticContact CD1-CG 3.89Å; F180-F332 HydrophobicContact CD1-CG 3.89Å; F180-F332 HydrophobicContact CE1-CB 3.7Å; F180-F332 AromaticContact CE1-CD1 3.89Å; F180-F332 HydrophobicContact CE1-CD1 3.89Å; F180-F332 AromaticContact CE1-CD2 3.92Å; F180-F332 HydrophobicContact CE1-CD2 3.92Å; F180-F332 AromaticContact CE1-CG 3.56Å; F180-F332 HydrophobicContact CE1-CG 3.56Å; F180-F332 HydrophobicContact CE2-CD2 4.41Å; F180-F332 HydrophobicContact CG-CB 4.15Å; F180-F332 HydrophobicContact CZ-CD1 4.47Å; F180-F332 AromaticContact CZ-CD2 3.96Å; F180-F332 HydrophobicContact CZ-CD2 3.96Å; F180-F332 HydrophobicContact CZ-CE2 4.28Å; F180-F332 HydrophobicContact CZ-CG 4.08Å; L181-F332 WeakPolarHBondContact CD1-O 3.48Å; L181-F332 PolarHBondContact N-O 2.79Å; V317-F332 HydrophobicContact CB-CD1 4.44Å; V317-F332 HydrophobicContact CG1-CD1 4.03Å; V317-F332 HydrophobicContact CG1-CD2 4.39Å; V317-F332 HydrophobicContact CG1-CE1 3.89Å; V317-F332 HydrophobicContact CG1-CE2 4.26Å; V317-F332 HydrophobicContact CG1-CG 4.27Å; V317-F332 HydrophobicContact CG1-CZ 4.01Å; V317-F332 HydrophobicContact CG2-CD1 3.52Å; V317-F332 HydrophobicContact CG2-CE1 3.8Å; V317-F332 HydrophobicContact CG2-CG 4.24Å; V330-F332 HydrophobicContact CG1-CD2 4.36Å; V330-F332 HydrophobicContact CG1-CE2 3.78Å; V330-F332 HydrophobicContact CG1-CZ 4.36Å; F332-F334 HydrophobicContact CD1-CE1 4.23Å; F332-F334 HydrophobicContact CD1-CE2 4.12Å; F332-F334 AromaticContact CD1-CZ 3.66Å; F332-F334 HydrophobicContact CD1-CZ 3.66Å; F332-F334 HydrophobicContact CE1-CZ 4.44Å; F332-F334 PolarHBondContact O-N 2.75Å; F332-F334 VanDerWaalsContact O-N 3.17Å; F332-L345 HydrophobicContact CE1-CB 3.84Å; F332-L345 HydrophobicContact CZ-CB 4.1Å
333A94.7Very high90.4Very high0 Ų024.6 Ų24.60%014%0.139CC..SBendtrans-61.3-26.2-178.500000113D183 A258 L260 L316D183-A333 WeakPolarHBondContact CA-O 3.2Å; D183-A333 PolarHBondContact N-O 2.96Å; A258-A333 WeakPolarHBondContact O-CB 3.12Å; L260-A333 HydrophobicContact CD1-CB 4.39Å; L260-A333 HydrophobicContact CD2-CB 4.42Å; L260-A333 HydrophobicContact CG-CB 3.94Å; L316-A333 WeakPolarHBondContact O-CB 3.08Å; L316-A333 PolarHBondContact O-N 3.45Å
334F92.2Very high90.4Very high0 Ų019.7 Ų19.70%011%0.113CC..SBendtrans-107-179.6-173.455.6-90000111.8F180 D183 C256 L316 V317 F332 I339F180-F334 WeakPolarHBondContact CD1-O 3.45Å; D183-F334 WeakPolarHBondContact OD1-CB 3.44Å; C256-F334 HydrophobicContact CB-CB 4.45Å; L316-F334 HydrophobicContact CB-CD1 4.37Å; L316-F334 HydrophobicContact CB-CE1 4.07Å; L316-F334 HydrophobicContact CD2-CD1 4.32Å; V317-F334 HydrophobicContact CG2-CE1 3.72Å; V317-F334 HydrophobicContact CG2-CZ 4.01Å; F332-F334 HydrophobicContact CD1-CE1 4.23Å; F332-F334 HydrophobicContact CD1-CE2 4.12Å; F332-F334 AromaticContact CD1-CZ 3.66Å; F332-F334 HydrophobicContact CD1-CZ 3.66Å; F332-F334 HydrophobicContact CE1-CZ 4.44Å; F332-F334 PolarHBondContact O-N 2.75Å; F332-F334 VanDerWaalsContact O-N 3.17Å; F334-I339 HydrophobicContact CD2-CG1 4.41Å; F334-I339 HydrophobicContact CE1-CD1 4.16Å; F334-I339 HydrophobicContact CE1-CG1 4.43Å; F334-I339 HydrophobicContact CE2-CD1 4.31Å; F334-I339 HydrophobicContact CE2-CG1 3.73Å; F334-I339 HydrophobicContact CZ-CD1 3.79Å; F334-I339 HydrophobicContact CZ-CG1 3.73Å
335R90.3Very high90.6Very high68 Ų6815 Ų1526%0.2579%0.093SC..  trans-76.3152.2-179-12.9177.164.3-143.3-2.5112.5T103 L182 D183 G337 G338T103-R335 HydrophobicContact CG2-CB 4.19Å; L182-R335 HydrophobicContact CD2-CB 3.93Å; D183-R335 WeakPolarHBondContact OD2-CD 3.37Å; D183-R335 WeakPolarHBondContact OD2-CG 3.44Å; R335-G337 PolarHBondContact O-N 3.47Å; R335-G338 PolarHBondContact O-N 3.04Å
336P89Confident90.7Very high7 Ų713.2 Ų13.25%0.0458%0.083CC..THydrogen-bonded Turntrans-53.2127.4169.3-2331.4000111.9T103 Y106 L107 E150 F180 G338T103-P336 HydrophobicContact CG2-CB 4.25Å; T103-P336 HydrophobicContact CG2-CG 4.23Å; Y106-P336 HydrophobicContact CD1-CB 3.76Å; Y106-P336 HydrophobicContact CE1-CB 4.25Å; L107-P336 HydrophobicContact CD1-CB 4.19Å; L107-P336 HydrophobicContact CD1-CG 3.8Å; L107-P336 HydrophobicContact CD2-CB 3.86Å; L107-P336 HydrophobicContact CD2-CG 4.18Å; L107-P336 HydrophobicContact CG-CB 3.75Å; L107-P336 HydrophobicContact CG-CG 3.94Å; E150-P336 HydrophobicContact CG-CG 4.4Å; F180-P336 HydrophobicContact CB-CG 4.07Å; F180-P336 HydrophobicContact CD1-CB 4.24Å; F180-P336 HydrophobicContact CD1-CG 3.71Å; F180-P336 HydrophobicContact CD2-CG 3.86Å; F180-P336 HydrophobicContact CE1-CB 4.15Å; F180-P336 HydrophobicContact CE1-CG 4.08Å; F180-P336 HydrophobicContact CE2-CG 4.22Å; F180-P336 HydrophobicContact CG-CG 3.6Å; F180-P336 HydrophobicContact CZ-CB 4.37Å; F180-P336 HydrophobicContact CZ-CG 4.32Å; P336-G338 VanDerWaalsContact C-N 3.26Å; P336-G338 PolarHBondContact O-N 2.95Å
337G83.4Confident90.8Very high33 Ų3310.8 Ų10.834%0.346%0.058SC..THydrogen-bonded Turntrans74.712.1-178.700000114.6Y106 R335 I339Y106-G337 VanDerWaalsContact CZ-CA 3.41Å; R335-G337 PolarHBondContact O-N 3.47Å; G337-I339 VanDerWaalsContact C-N 3.33Å; G337-I339 PolarHBondContact O-N 2.96Å
338G77Confident90.7Very high10 Ų1010.7 Ų10.710%0.1036%0.058CC..SBendtrans-64.9-31.8177.600000113.8I238 C255 R335 P336I238-G338 VanDerWaalsContact CD1-O 3.28Å; I238-G338 WeakPolarHBondContact CD1-O 3.47Å; C255-G338 WeakPolarHBondContact CB-O 3.49Å; C255-G338 PolarHBondContact SG-O 2.88Å; R335-G338 PolarHBondContact O-N 3.04Å; P336-G338 VanDerWaalsContact C-N 3.26Å; P336-G338 PolarHBondContact O-N 2.95Å
339I83Confident90.7Very high16 Ų169 Ų98%0.0825%0.05CC..SBendtrans-132.2153.7169.148.3172.7000109L236 C255 C256 F334 G337 L341 S342L236-I339 HydrophobicContact CD2-CG2 3.88Å; C255-I339 HydrophobicContact CB-CG2 4.17Å; C256-I339 VanDerWaalsContact SG-CG2 3.52Å; F334-I339 HydrophobicContact CD2-CG1 4.41Å; F334-I339 HydrophobicContact CE1-CD1 4.16Å; F334-I339 HydrophobicContact CE1-CG1 4.43Å; F334-I339 HydrophobicContact CE2-CD1 4.31Å; F334-I339 HydrophobicContact CE2-CG1 3.73Å; F334-I339 HydrophobicContact CZ-CD1 3.79Å; F334-I339 HydrophobicContact CZ-CG1 3.73Å; G337-I339 VanDerWaalsContact C-N 3.33Å; G337-I339 PolarHBondContact O-N 2.96Å; I339-L341 HydrophobicContact CD1-CB 3.95Å; I339-L341 HydrophobicContact CG1-CB 4.35Å; I339-L341 PolarHBondContact O-N 2.8Å; I339-S342 WeakPolarHBondContact O-CB 3.05Å; I339-S342 PolarHBondContact O-N 2.75Å
340W79.7Confident90.5Very high49 Ų499 Ų919%0.1865%0.05CC..THydrogen-bonded Turntrans-58.3-32.4177.569-97.9000113.4F214 S342 S343 G589 F593 F627 W631F214-W340 AromaticContact CE1-NE1 3.85Å; F214-W340 HydrophobicContact CE2-CH2 4.46Å; F214-W340 AromaticContact CE2-CZ2 3.68Å; F214-W340 HydrophobicContact CE2-CZ2 3.68Å; F214-W340 AromaticContact CZ-CE2 3.63Å; F214-W340 AromaticContact CZ-CZ2 3.42Å; F214-W340 HydrophobicContact CZ-CZ2 3.42Å; F214-W340 VanDerWaalsContact CZ-CZ2 3.42Å; F214-W340 AromaticContact CZ-NE1 3.45Å; W340-S342 PolarHBondContact O-N 3.05Å; W340-S342 VanDerWaalsContact O-N 3.16Å; W340-S343 PolarHBondContact O-N 3.23Å; W340-G589 VanDerWaalsContact CB-CA 3.48Å; W340-F593 HydrophobicContact CE3-CE1 4.04Å; W340-F593 HydrophobicContact CE3-CZ 4.31Å; W340-F593 HydrophobicContact CZ3-CE1 4.17Å; W340-F593 AromaticContact CZ3-CZ 3.97Å; W340-F593 HydrophobicContact CZ3-CZ 3.97Å; W340-F627 AromaticContact CD2-CZ 3.99Å; W340-F627 HydrophobicContact CD2-CZ 3.99Å; W340-F627 AromaticContact CE2-CZ 3.9Å; W340-F627 HydrophobicContact CE3-CE1 4.25Å; W340-F627 AromaticContact CE3-CZ 3.78Å; W340-F627 HydrophobicContact CE3-CZ 3.78Å; W340-F627 HydrophobicContact CH2-CE1 4.34Å; W340-F627 AromaticContact CH2-CE2 3.96Å; W340-F627 HydrophobicContact CH2-CE2 3.96Å; W340-F627 AromaticContact CH2-CZ 3.45Å; W340-F627 HydrophobicContact CH2-CZ 3.45Å; W340-F627 VanDerWaalsContact CH2-CZ 3.45Å; W340-F627 AromaticContact CZ2-CE2 3.92Å; W340-F627 HydrophobicContact CZ2-CE2 3.92Å; W340-F627 AromaticContact CZ2-CZ 3.62Å; W340-F627 HydrophobicContact CZ2-CZ 3.62Å; W340-F627 HydrophobicContact CZ3-CE1 4.04Å; W340-F627 HydrophobicContact CZ3-CE2 4.46Å; W340-F627 AromaticContact CZ3-CZ 3.53Å; W340-F627 HydrophobicContact CZ3-CZ 3.53Å; W340-W631 HydrophobicContact CH2-CB 4.04Å; W340-W631 AromaticContact CH2-CD2 3.47Å; W340-W631 HydrophobicContact CH2-CD2 3.47Å; W340-W631 VanDerWaalsContact CH2-CD2 3.47Å; W340-W631 AromaticContact CH2-CE2 3.92Å; W340-W631 AromaticContact CH2-CE3 3.76Å; W340-W631 HydrophobicContact CH2-CE3 3.76Å; W340-W631 AromaticContact CH2-CG 3.58Å; W340-W631 HydrophobicContact CH2-CG 3.58Å; W340-W631 HydrophobicContact CH2-CZ3 4.42Å; W340-W631 AromaticContact CZ2-CD2 3.89Å; W340-W631 HydrophobicContact CZ2-CD2 3.89Å; W340-W631 AromaticContact CZ2-CE2 3.85Å; W340-W631 HydrophobicContact CZ2-CE3 4.23Å; W340-W631 HydrophobicContact CZ2-CG 4.27Å; W340-W631 HydrophobicContact CZ2-CZ2 4.2Å
341L85.5Confident90.1Very high1 Ų19.4 Ų9.41%0.0055%0.052CC..Hα-helixtrans-64.2-19.6177.6-166.572.9000112F214 T216 T226 I339 S343 I344 L345 W631F214-L341 HydrophobicContact CD2-CD2 3.79Å; F214-L341 HydrophobicContact CE2-CD2 4.12Å; T216-L341 HydrophobicContact CG2-CD2 4.02Å; T226-L341 HydrophobicContact CG2-CD1 4.34Å; I339-L341 HydrophobicContact CD1-CB 3.95Å; I339-L341 HydrophobicContact CG1-CB 4.35Å; I339-L341 PolarHBondContact O-N 2.8Å; L341-S343 PolarHBondContact O-N 2.69Å; L341-I344 HydrophobicContact CD1-CG2 3.55Å; L341-I344 HydrophobicContact CG-CG2 4.14Å; L341-I344 WeakPolarHBondContact O-CG2 3.48Å; L341-I344 PolarHBondContact O-N 3.14Å; L341-L345 HydrophobicContact CD2-CD1 3.75Å; L341-L345 HydrophobicContact CD2-CG 4.28Å; L341-L345 HydrophobicContact CG-CD1 3.82Å; L341-L345 HydrophobicContact CG-CG 3.95Å; L341-L345 WeakPolarHBondContact O-CB 3.26Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.23Å; L341-W631 HydrophobicContact CD1-CE3 4.17Å; L341-W631 HydrophobicContact CD1-CZ3 4.37Å
342S87.9Confident89.8Confident0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-54.9-36.1175.6-171.50000112I339 W340 L346I339-S342 WeakPolarHBondContact O-CB 3.05Å; I339-S342 PolarHBondContact O-N 2.75Å; W340-S342 PolarHBondContact O-N 3.05Å; W340-S342 VanDerWaalsContact O-N 3.16Å; S342-L346 WeakPolarHBondContact O-CB 3.36Å; S342-L346 PolarHBondContact O-N 2.84Å
343S90Very high89.7Confident1 Ų112.3 Ų12.31%0.0076%0.064CC..Hα-helixtrans-67.7-45.5-176.6-56.90000111.8Y106 W340 L341 L347 H594Y106-S343 WeakPolarHBondContact OH-CA 3.49Å; Y106-S343 PolarHBondContact OH-N 2.75Å; Y106-S343 VanDerWaalsContact OH-N 3.13Å; Y106-S343 PolarHBondContact OH-OG 3.13Å; W340-S343 PolarHBondContact O-N 3.23Å; L341-S343 PolarHBondContact O-N 2.69Å; S343-L347 PolarHBondContact O-N 2.84Å; S343-H594 WeakPolarHBondContact CB-NE2 3.36Å; S343-H594 PolarHBondContact OG-CE1 3.08Å; S343-H594 PolarHBondContact OG-NE2 3.18Å
344I91.7Very high89.4Confident0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-76.8-34.5-179.3-166.7171.9000112.3A225 T226 L341 L347 D348 F593 L597 T632A225-I344 HydrophobicContact CB-CD1 4.48Å; A225-I344 HydrophobicContact CB-CG1 4.3Å; T226-I344 HydrophobicContact CG2-CG2 4.47Å; T226-I344 VanDerWaalsContact OG1-CG1 3.32Å; T226-I344 WeakPolarHBondContact OG1-CG1 3.49Å; L341-I344 HydrophobicContact CD1-CG2 3.55Å; L341-I344 HydrophobicContact CG-CG2 4.14Å; L341-I344 WeakPolarHBondContact O-CG2 3.48Å; L341-I344 PolarHBondContact O-N 3.14Å; I344-L347 WeakPolarHBondContact O-CB 3.31Å; I344-L347 PolarHBondContact O-N 3.42Å; I344-D348 PolarHBondContact O-N 2.92Å; I344-F593 HydrophobicContact CD1-CZ 4.46Å; I344-L597 HydrophobicContact CB-CD1 4.19Å; I344-L597 HydrophobicContact CB-CD2 3.96Å; I344-L597 HydrophobicContact CD1-CD1 3.95Å; I344-L597 HydrophobicContact CG1-CD1 3.75Å; I344-L597 HydrophobicContact CG1-CD2 4.43Å; I344-T632 HydrophobicContact CD1-CG2 3.37Å
345L94.5Very high89Confident1 Ų117 Ų171%0.0059%0.085CC..Hα-helixtrans-69-36.4173.6-68.5177.1000112L223 T226 I273 A274 V317 F332 L341 D348 T349L223-L345 HydrophobicContact CD2-CD2 3.5Å; L223-L345 VanDerWaalsContact CD2-CD2 3.5Å; T226-L345 HydrophobicContact CG2-CD2 4.26Å; I273-L345 HydrophobicContact CG2-CD2 3.9Å; A274-L345 HydrophobicContact CB-CD1 3.98Å; V317-L345 HydrophobicContact CB-CD1 4.49Å; V317-L345 HydrophobicContact CG2-CD1 3.88Å; F332-L345 HydrophobicContact CE1-CB 3.84Å; F332-L345 HydrophobicContact CZ-CB 4.1Å; L341-L345 HydrophobicContact CD2-CD1 3.75Å; L341-L345 HydrophobicContact CD2-CG 4.28Å; L341-L345 HydrophobicContact CG-CD1 3.82Å; L341-L345 HydrophobicContact CG-CG 3.95Å; L341-L345 WeakPolarHBondContact O-CB 3.26Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.23Å; L345-D348 PolarHBondContact O-N 2.99Å; L345-T349 VanDerWaalsContact O-CB 3.26Å; L345-T349 WeakPolarHBondContact O-CB 3.39Å; L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 PolarHBondContact O-OG1 2.64Å
346L94.7Very high88.3Confident0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-66.1-40.2173.3-17959.9000111.1L107 I110 V178 F180 S342 T349 I350L107-L346 HydrophobicContact CD2-CD2 3.69Å; I110-L346 HydrophobicContact CB-CD2 4.44Å; I110-L346 HydrophobicContact CD1-CD2 3.92Å; I110-L346 HydrophobicContact CG2-CD2 4.14Å; V178-L346 HydrophobicContact CG1-CD1 4.2Å; F180-L346 HydrophobicContact CZ-CD1 4.4Å; S342-L346 WeakPolarHBondContact O-CB 3.36Å; S342-L346 PolarHBondContact O-N 2.84Å; L346-T349 WeakPolarHBondContact O-CB 3.14Å; L346-T349 PolarHBondContact O-N 3.34Å; L346-I350 HydrophobicContact CD1-CD1 4.11Å; L346-I350 HydrophobicContact CD1-CG1 4.21Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 HydrophobicContact CG-CG1 4.48Å; L346-I350 VanDerWaalsContact O-CG1 3.31Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.19Å
347L92.9Very high87.9Confident0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-55.5-54.7171.9177.560000111.2L114 A225 S343 I344 T349 I350 V351 A360 L597 F598L114-L347 HydrophobicContact CD1-CD1 3.97Å; L114-L347 HydrophobicContact CD2-CD1 3.54Å; L114-L347 HydrophobicContact CG-CD1 4.4Å; A225-L347 HydrophobicContact CB-CD2 4.15Å; S343-L347 PolarHBondContact O-N 2.84Å; I344-L347 WeakPolarHBondContact O-CB 3.31Å; I344-L347 PolarHBondContact O-N 3.42Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.27Å; L347-I350 PolarHBondContact O-N 3.25Å; L347-V351 HydrophobicContact CD1-CG2 4.2Å; L347-V351 VanDerWaalsContact O-CG2 3.32Å; L347-V351 WeakPolarHBondContact O-CG2 3.4Å; L347-V351 PolarHBondContact O-N 3.37Å; L347-A360 HydrophobicContact CD1-CB 4.44Å; L347-A360 HydrophobicContact CD2-CB 4.32Å; L347-A360 HydrophobicContact CG-CB 4.48Å; L347-L597 HydrophobicContact CD2-CD1 3.59Å; L347-L597 HydrophobicContact CD2-CG 4.03Å; L347-F598 HydrophobicContact CB-CE1 4.21Å; L347-F598 HydrophobicContact CD1-CD1 4.48Å; L347-F598 HydrophobicContact CD1-CE1 4.38Å; L347-F598 HydrophobicContact CD2-CD1 4.4Å; L347-F598 HydrophobicContact CD2-CE1 4.31Å
348D93.3Very high88Confident2 Ų217.7 Ų17.71%0.0119%0.091CC..Hα-helixtrans-56.5-43.2177.9-88.4-30.4000111.8I222 R224 A225 T226 I344 L345 V351 Y352I222-D348 HydrophobicContact CG1-CB 4.45Å; I222-D348 WeakPolarHBondContact O-CB 3.05Å; R224-D348 PolarHBondContact N-OD1 2.94Å; R224-D348 VanDerWaalsContact N-OD1 3.08Å; A225-D348 WeakPolarHBondContact CB-OD1 3.38Å; A225-D348 PolarHBondContact N-OD1 2.98Å; T226-D348 WeakPolarHBondContact CB-OD2 3.34Å; T226-D348 PolarHBondContact N-OD2 3.34Å; T226-D348 PolarHBondContact OG1-OD2 2.92Å; I344-D348 PolarHBondContact O-N 2.92Å; L345-D348 PolarHBondContact O-N 2.99Å; D348-V351 PolarHBondContact O-N 2.91Å; D348-Y352 WeakPolarHBondContact O-CB 3.29Å; D348-Y352 PolarHBondContact O-N 3.39Å
349T95.8Very high88.1Confident1 Ų120.1 Ų20.11%0.00610%0.1CC..Hα-helixtrans-60.8-46.8177.7-62.60000112.2V178 V330 L345 L346 L347 Y352 L353V178-T349 HydrophobicContact CG1-CG2 4.3Å; V178-T349 HydrophobicContact CG2-CG2 3.48Å; V178-T349 VanDerWaalsContact CG2-CG2 3.48Å; V330-T349 HydrophobicContact CB-CG2 3.62Å; V330-T349 HydrophobicContact CG1-CG2 3.99Å; V330-T349 HydrophobicContact CG2-CG2 3.78Å; L345-T349 VanDerWaalsContact O-CB 3.26Å; L345-T349 WeakPolarHBondContact O-CB 3.39Å; L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 PolarHBondContact O-OG1 2.64Å; L346-T349 WeakPolarHBondContact O-CB 3.14Å; L346-T349 PolarHBondContact O-N 3.34Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.27Å; T349-Y352 PolarHBondContact O-N 3.36Å; T349-L353 HydrophobicContact CG2-CD1 3.67Å; T349-L353 HydrophobicContact CG2-CG 4.19Å; T349-L353 VanDerWaalsContact O-CB 3.29Å; T349-L353 WeakPolarHBondContact O-CB 3.36Å; T349-L353 WeakPolarHBondContact O-CG 3.3Å; T349-L353 PolarHBondContact O-N 2.95Å
350I93.6Very high87.9Confident1 Ų119.5 Ų19.51%0.00510%0.097CC..Hα-helixtrans-62.8-46.6178.7-72.2168.7000110.1I92 L114 I116 I146 L346 L347 Y352 S354 F358I92-I350 HydrophobicContact CD1-CD1 4.44Å; I92-I350 HydrophobicContact CD1-CG1 4.43Å; I92-I350 HydrophobicContact CD1-CG2 4.04Å; L114-I350 HydrophobicContact CD1-CD1 3.94Å; I116-I350 HydrophobicContact CD1-CG2 3.73Å; I146-I350 HydrophobicContact CD1-CB 4.31Å; I146-I350 HydrophobicContact CD1-CG1 4.43Å; I146-I350 HydrophobicContact CD1-CG2 4.15Å; I146-I350 WeakPolarHBondContact CD1-O 3.25Å; L346-I350 HydrophobicContact CD1-CD1 4.11Å; L346-I350 HydrophobicContact CD1-CG1 4.21Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 HydrophobicContact CG-CG1 4.48Å; L346-I350 VanDerWaalsContact O-CG1 3.31Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.19Å; L347-I350 PolarHBondContact O-N 3.25Å; I350-Y352 PolarHBondContact O-N 2.88Å; I350-S354 WeakPolarHBondContact O-CB 3.44Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 3.26Å; I350-F358 HydrophobicContact CG2-CB 4.05Å; I350-F358 HydrophobicContact CG2-CD2 3.92Å; I350-F358 HydrophobicContact CG2-CG 4.38Å
351V88.8Confident87.7Confident8 Ų817.2 Ų17.25%0.0489%0.088CC..Hα-helixtrans-62.2-46.1180172.80000110.9R224 L347 D348 S354 K355 G356 A360R224-V351 VanDerWaalsContact NH1-CG1 3.33Å; L347-V351 HydrophobicContact CD1-CG2 4.2Å; L347-V351 VanDerWaalsContact O-CG2 3.32Å; L347-V351 WeakPolarHBondContact O-CG2 3.4Å; L347-V351 PolarHBondContact O-N 3.37Å; D348-V351 PolarHBondContact O-N 2.91Å; V351-S354 PolarHBondContact O-OG 3.24Å; V351-K355 PolarHBondContact O-N 3.2Å; V351-G356 PolarHBondContact O-N 3.21Å; V351-A360 HydrophobicContact CG2-CB 4.14Å
352Y91.9Very high86.9Confident59 Ų5917.3 Ų17.323%0.2319%0.089CC..Hα-helixtrans-67.2-53.6-179.5177-109000113.1I222 E319 Q328 D348 T349 I350 S354 K355I222-Y352 HydrophobicContact CB-CD1 4.37Å; I222-Y352 HydrophobicContact CB-CG 4.35Å; I222-Y352 HydrophobicContact CD1-CD1 3.59Å; I222-Y352 HydrophobicContact CD1-CE1 4.24Å; I222-Y352 HydrophobicContact CD1-CG 4.11Å; I222-Y352 HydrophobicContact CG1-CD1 3.65Å; I222-Y352 HydrophobicContact CG1-CD2 4.42Å; I222-Y352 HydrophobicContact CG1-CE1 4.39Å; I222-Y352 HydrophobicContact CG1-CG 3.65Å; E319-Y352 WeakPolarHBondContact OE1-CE1 3.13Å; E319-Y352 VanDerWaalsContact OE1-CZ 3.23Å; E319-Y352 PolarHBondContact OE1-OH 3.37Å; Q328-Y352 VanDerWaalsContact NE2-CZ 3.34Å; Q328-Y352 PolarHBondContact NE2-OH 3.45Å; D348-Y352 WeakPolarHBondContact O-CB 3.29Å; D348-Y352 PolarHBondContact O-N 3.39Å; T349-Y352 PolarHBondContact O-N 3.36Å; I350-Y352 PolarHBondContact O-N 2.88Å; Y352-S354 VanDerWaalsContact C-N 3.25Å; Y352-S354 PolarHBondContact O-N 3.26Å; Y352-K355 WeakPolarHBondContact O-CA 3.45Å; Y352-K355 PolarHBondContact O-N 3.22Å
353L93.9Very high85.6Confident2 Ų218.1 Ų18.11%0.019%0.094CC..Hα-helixtrans-67.8-26.1-178.2-68.9-178.3000112.7I146 V178 Q328 V330 T349 K355I146-L353 HydrophobicContact CD1-CB 3.96Å; I146-L353 HydrophobicContact CG1-CB 4.19Å; V178-L353 HydrophobicContact CG2-CD1 3.68Å; Q328-L353 HydrophobicContact CB-CD2 4.34Å; Q328-L353 HydrophobicContact CG-CD2 3.77Å; V330-L353 HydrophobicContact CG2-CD1 4.12Å; V330-L353 HydrophobicContact CG2-CD2 4.36Å; V330-L353 HydrophobicContact CG2-CG 4.33Å; T349-L353 HydrophobicContact CG2-CD1 3.67Å; T349-L353 HydrophobicContact CG2-CG 4.19Å; T349-L353 VanDerWaalsContact O-CB 3.29Å; T349-L353 WeakPolarHBondContact O-CB 3.36Å; T349-L353 WeakPolarHBondContact O-CG 3.3Å; T349-L353 PolarHBondContact O-N 2.95Å; L353-K355 PolarHBondContact O-N 3.47Å
354S88.3Confident83.8Confident4 Ų418.7 Ų18.73%0.02810%0.098CC..THydrogen-bonded Turntrans-73.6-9.2172.178.30000113.6I350 V351 Y352 G356 I357 F358I350-S354 WeakPolarHBondContact O-CB 3.44Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 3.26Å; V351-S354 PolarHBondContact O-OG 3.24Å; Y352-S354 VanDerWaalsContact C-N 3.25Å; Y352-S354 PolarHBondContact O-N 3.26Å; S354-G356 VanDerWaalsContact C-N 3.29Å; S354-G356 PolarHBondContact O-N 3.25Å; S354-I357 VanDerWaalsContact O-CB 3.3Å; S354-I357 WeakPolarHBondContact O-CB 3.2Å; S354-I357 WeakPolarHBondContact O-CG1 3.24Å; S354-I357 PolarHBondContact O-N 3.06Å; S354-I357 PolarHBondContact OG-N 2.63Å; S354-F358 PolarHBondContact OG-N 2.97Å; S354-F358 PolarHBondContact OG-O 3.26Å
355K83.5Confident81.8Confident93 Ų9322.2 Ų22.240%0.40412%0.123SC..THydrogen-bonded Turntrans60.438.8178.4-43.8-171.3-171.7-151.70112.5N174 V351 Y352 L353 I357N174-K355 PolarHBondContact ND2-NZ 3.46Å; N174-K355 PolarHBondContact OD1-NZ 2.94Å; V351-K355 PolarHBondContact O-N 3.2Å; Y352-K355 WeakPolarHBondContact O-CA 3.45Å; Y352-K355 PolarHBondContact O-N 3.22Å; L353-K355 PolarHBondContact O-N 3.47Å; K355-I357 VanDerWaalsContact C-N 3.34Å
356G76Confident79.9Confident32 Ų3228.2 Ų28.233%0.3315%0.151SC..THydrogen-bonded Turntrans7617.8-178.400000114.4V351 S354 H359V351-G356 PolarHBondContact O-N 3.21Å; S354-G356 VanDerWaalsContact C-N 3.29Å; S354-G356 PolarHBondContact O-N 3.25Å; G356-H359 PolarHBondContact O-NE2 3.5Å; G356-H359 VanDerWaalsContact O-NE2 3.15Å
357I80.3Confident78Confident73 Ų7333.6 Ų33.637%0.37419%0.186SC..SBendtrans-80.1-41.6169-63.8-66.4000110.6R145 S354 K355R145-I357 HydrophobicContact CG-CG2 4.47Å; S354-I357 VanDerWaalsContact O-CB 3.3Å; S354-I357 WeakPolarHBondContact O-CB 3.2Å; S354-I357 WeakPolarHBondContact O-CG1 3.24Å; S354-I357 PolarHBondContact O-N 3.06Å; S354-I357 PolarHBondContact OG-N 2.63Å; K355-I357 VanDerWaalsContact C-N 3.34Å
358F85.1Confident76.3Confident18 Ų1835.3 Ų35.38%0.07919%0.194CC..SBendtrans-101.3139.2169.1-54.1-44.8000108.3I92 I116 R145 I146 I350 S354I92-F358 HydrophobicContact CD1-CD2 4.09Å; I92-F358 HydrophobicContact CD1-CE2 3.8Å; I92-F358 HydrophobicContact CG1-CD2 4.32Å; I92-F358 HydrophobicContact CG1-CE2 3.52Å; I92-F358 HydrophobicContact CG1-CZ 4.06Å; I116-F358 HydrophobicContact CD1-CB 3.95Å; I116-F358 HydrophobicContact CD1-CD1 4.14Å; I116-F358 HydrophobicContact CD1-CD2 4.05Å; I116-F358 HydrophobicContact CD1-CG 3.79Å; I116-F358 HydrophobicContact CG1-CD1 4Å; I116-F358 HydrophobicContact CG1-CE1 4.38Å; I116-F358 HydrophobicContact CG1-CG 4.18Å; I116-F358 HydrophobicContact CG2-CD1 4.09Å; I116-F358 HydrophobicContact CG2-CD2 4.39Å; I116-F358 HydrophobicContact CG2-CE1 3.63Å; I116-F358 HydrophobicContact CG2-CE2 3.98Å; I116-F358 HydrophobicContact CG2-CG 4.47Å; I116-F358 HydrophobicContact CG2-CZ 3.57Å; R145-F358 HydrophobicContact CB-CE2 3.9Å; R145-F358 HydrophobicContact CB-CZ 4.23Å; R145-F358 HydrophobicContact CG-CE2 4.27Å; R145-F358 HydrophobicContact CG-CZ 4.14Å; I146-F358 HydrophobicContact CD1-CD2 4.29Å; I146-F358 HydrophobicContact CD1-CE2 4.46Å; I350-F358 HydrophobicContact CG2-CB 4.05Å; I350-F358 HydrophobicContact CG2-CD2 3.92Å; I350-F358 HydrophobicContact CG2-CG 4.38Å; S354-F358 PolarHBondContact OG-N 2.97Å; S354-F358 PolarHBondContact OG-O 3.26Å
359H80.4Confident74.7Confident62 Ų6236.6 Ų36.629%0.28720%0.202SC..  trans-122167.4-179-39-139.3000112.3G356 S361 S364 D388G356-H359 PolarHBondContact O-NE2 3.5Å; G356-H359 VanDerWaalsContact O-NE2 3.15Å; H359-S361 VanDerWaalsContact C-N 3.31Å; H359-S361 PolarHBondContact O-N 2.96Å; H359-S364 WeakPolarHBondContact CB-OG 3.45Å; H359-S364 PolarHBondContact CD2-O 2.82Å; H359-S364 VanDerWaalsContact CG-O 3.31Å; H359-S364 PolarHBondContact NE2-O 3.21Å; H359-D388 VanDerWaalsContact CB-CG 3.46Å; H359-D388 WeakPolarHBondContact CB-OD1 3.42Å; H359-D388 VanDerWaalsContact CB-OD2 3.32Å; H359-D388 WeakPolarHBondContact CB-OD2 3.46Å
360A77.9Confident72.7Confident2 Ų242.5 Ų42.52%0.01724%0.241CC..SBendtrans-75.2-15.9-175.500000113.6L347 V351 P362 D388 L389 R391L347-A360 HydrophobicContact CD1-CB 4.44Å; L347-A360 HydrophobicContact CD2-CB 4.32Å; L347-A360 HydrophobicContact CG-CB 4.48Å; V351-A360 HydrophobicContact CG2-CB 4.14Å; A360-P362 WeakPolarHBondContact O-CD 3.44Å; A360-D388 WeakPolarHBondContact CB-OD2 3.39Å; A360-D388 VanDerWaalsContact N-CG 3.26Å; A360-D388 PolarHBondContact N-OD1 3.4Å; A360-D388 PolarHBondContact N-OD2 3.43Å; A360-L389 HydrophobicContact CB-CD2 4.21Å; A360-R391 PolarHBondContact O-NH2 2.91Å
361S76.3Confident70.7Confident1 Ų148.8 Ų48.81%0.00727%0.27CS..SBendtrans-113.379.3176.461.50000112.8H359 S364 D388 R651H359-S361 VanDerWaalsContact C-N 3.31Å; H359-S361 PolarHBondContact O-N 2.96Å; S361-S364 WeakPolarHBondContact O-CB 3.26Å; S361-S364 PolarHBondContact O-N 2.96Å; S361-S364 PolarHBondContact O-OG 3.16Å; S361-D388 VanDerWaalsContact CB-O 3.31Å; S361-D388 WeakPolarHBondContact CB-O 3.45Å; S361-D388 WeakPolarHBondContact CB-OD1 3.25Å; S361-D388 PolarHBondContact N-OD1 3.28Å; S361-D388 WeakPolarHBondContact OG-CA 3.26Å; S361-D388 PolarHBondContact OG-OD1 3.1Å; S361-R651 PolarHBondContact OG-NH1 3.33Å
362P68.6Low69.3Low4 Ų449.5 Ų49.53%0.02627%0.273CS..THydrogen-bonded Turntrans-51.9144.9178.4-21.929.6000112.7L114 L115 A360 P600L114-P362 HydrophobicContact CB-CG 4.24Å; L114-P362 HydrophobicContact CD2-CG 3.65Å; L114-P362 WeakPolarHBondContact O-CB 3.35Å; L115-P362 HydrophobicContact CB-CB 4.34Å; L115-P362 HydrophobicContact CD1-CB 4.2Å; L115-P362 HydrophobicContact CG-CB 4.36Å; A360-P362 WeakPolarHBondContact O-CD 3.44Å; P362-P600 VanDerWaalsContact O-CG 3.31Å; P362-P600 WeakPolarHBondContact O-CG 3.35Å
363P59.9Low67.7Low16 Ų1648 Ų4810%0.10428%0.276CS..THydrogen-bonded Turncis-10235.65.737.5-31.7000113.8L115 S365 R651 F652 Y655L115-P363 HydrophobicContact CB-CB 4.42Å; L115-P363 HydrophobicContact CD1-CB 3.88Å; L115-P363 HydrophobicContact CD1-CG 4.43Å; P363-S365 VanDerWaalsContact C-N 3.34Å; P363-S365 PolarHBondContact O-N 3.23Å; P363-R651 WeakPolarHBondContact CD-O 3.38Å; P363-R651 WeakPolarHBondContact CG-O 3.37Å; P363-F652 HydrophobicContact CG-CD1 4.06Å; P363-F652 HydrophobicContact CG-CE1 4.37Å; P363-Y655 HydrophobicContact CB-CD2 3.69Å; P363-Y655 HydrophobicContact CB-CE1 4.21Å; P363-Y655 HydrophobicContact CB-CE2 2.97Å; P363-Y655 VanDerWaalsContact CB-OH 3.26Å; P363-Y655 WeakPolarHBondContact CB-OH 3.39Å; P363-Y655 HydrophobicContact CG-CD2 3.49Å; P363-Y655 VanDerWaalsContact CG-CD2 3.49Å; P363-Y655 HydrophobicContact CG-CE2 3.28Å; P363-Y655 HydrophobicContact CG-CG 4.47Å
364S52.9Low66.1Low13 Ų1353.4 Ų53.49%0.09131%0.305CS..  trans-55.466.6-165.360.70000118.1H359 S361 H366H359-S364 WeakPolarHBondContact CB-OG 3.45Å; H359-S364 PolarHBondContact CD2-O 2.82Å; H359-S364 VanDerWaalsContact CG-O 3.31Å; H359-S364 PolarHBondContact NE2-O 3.21Å; S361-S364 WeakPolarHBondContact O-CB 3.26Å; S361-S364 PolarHBondContact O-N 2.96Å; S361-S364 PolarHBondContact O-OG 3.16Å; S364-H366 VanDerWaalsContact C-N 3.25Å
365S50Low64.8Low75 Ų7554.5 Ų54.552%0.52431%0.31SS..SBendtrans-80.1-11.5156.945.20000112.4P363P363-S365 VanDerWaalsContact C-N 3.34Å; P363-S365 PolarHBondContact O-N 3.23Å
366H53.4Low63.8Low126 Ų12651.1 Ų51.158%0.58330%0.297SS*.SBendtrans-121131.9-172.5-64.473.8000111.3S364S364-H366 VanDerWaalsContact C-N 3.25Å
367P54.8Low63.2Low114 Ų11453 Ų5374%0.7431%0.305SS*.PPolyproline II helixtrans-58.9151.8166.98.3-4.9000110.1S369P367-S369 PolarHBondContact O-N 3.43Å
368F58.7Low62.3Low36 Ų3657.1 Ų57.116%0.15832%0.32CS..PPolyproline II helixtrans-53.1139.3168.9-78.2-72.1000109.8F372 V376 L387 W392 I647 R651F368-F372 HydrophobicContact CB-CB 4.22Å; F368-F372 HydrophobicContact CD1-CB 4.21Å; F368-F372 HydrophobicContact CG-CB 4.48Å; F368-V376 HydrophobicContact CD2-CG2 4.18Å; F368-V376 HydrophobicContact CE2-CG2 4.34Å; F368-L387 HydrophobicContact CD2-CD1 4.09Å; F368-L387 HydrophobicContact CE2-CD2 4.34Å; F368-W392 HydrophobicContact CE2-CH2 4.07Å; F368-W392 AromaticContact CZ-CH2 3.64Å; F368-W392 HydrophobicContact CZ-CH2 3.64Å; F368-W392 HydrophobicContact CZ-CZ2 4.3Å; F368-W392 HydrophobicContact CZ-CZ3 4.32Å; F368-I647 HydrophobicContact CE1-CG2 4.18Å; F368-I647 HydrophobicContact CZ-CG2 4.26Å; F368-R651 HydrophobicContact CE1-CG 3.72Å; F368-R651 HydrophobicContact CZ-CG 4.11Å; F368-R651 VanDerWaalsContact CZ-NH2 3.28Å
369S58.4Low61.3Low28 Ų2858.1 Ų58.120%0.19633%0.325CS..PPolyproline II helixtrans-60.7148.5173.2500000110P367 Q371 F372 E650P367-S369 PolarHBondContact O-N 3.43Å; S369-Q371 PolarHBondContact O-N 2.83Å; S369-Q371 WeakPolarHBondContact OG-CG 3.3Å; S369-Q371 PolarHBondContact OG-NE2 3.01Å; S369-Q371 VanDerWaalsContact OG-NE2 3.09Å; S369-F372 PolarHBondContact O-N 3.25Å; S369-F372 VanDerWaalsContact OG-CD2 3.27Å; S369-F372 WeakPolarHBondContact OG-CD2 3.46Å; S369-E650 PolarHBondContact OG-OE2 2.8Å
370P53.9Low60.3Low126 Ų12662.5 Ų62.582%0.81835%0.351SS*.G310 helixtrans-54.8-29-176.1-2733.9000114.3F372 G373P370-F372 PolarHBondContact O-N 3.47Å; P370-G373 WeakPolarHBondContact O-CA 3.23Å; P370-G373 PolarHBondContact O-N 3.48Å
371Q52.4Low59.6Low133 Ų13363.7 Ų63.762%0.62136%0.357SS*.G310 helixtrans-63.4-19.4176.170.3-167.8-1.100114S369 G373S369-Q371 PolarHBondContact O-N 2.83Å; S369-Q371 WeakPolarHBondContact OG-CG 3.3Å; S369-Q371 PolarHBondContact OG-NE2 3.01Å; S369-Q371 VanDerWaalsContact OG-NE2 3.09Å; Q371-G373 VanDerWaalsContact C-N 3.35Å
372F59.2Low58.5Low22 Ų2268.8 Ų68.810%0.09639%0.393CS..G310 helixtrans-93.2-0.2171.3-74.3-96.7000112.4F368 S369 P370 D374 I375 V376 N646 I647 E650F368-F372 HydrophobicContact CB-CB 4.22Å; F368-F372 HydrophobicContact CD1-CB 4.21Å; F368-F372 HydrophobicContact CG-CB 4.48Å; S369-F372 PolarHBondContact O-N 3.25Å; S369-F372 VanDerWaalsContact OG-CD2 3.27Å; S369-F372 WeakPolarHBondContact OG-CD2 3.46Å; P370-F372 PolarHBondContact O-N 3.47Å; F372-D374 PolarHBondContact O-N 2.94Å; F372-I375 HydrophobicContact CD1-CD1 3.95Å; F372-I375 HydrophobicContact CE1-CD1 4.4Å; F372-I375 PolarHBondContact O-N 3.01Å; F372-V376 PolarHBondContact O-N 3.44Å; F372-N646 VanDerWaalsContact CE1-C 3.41Å; F372-N646 HydrophobicContact CE1-CB 3.54Å; F372-N646 WeakPolarHBondContact CE1-O 3.36Å; F372-N646 HydrophobicContact CZ-CB 3.8Å; F372-N646 WeakPolarHBondContact CZ-O 3.28Å; F372-I647 HydrophobicContact CD1-CG1 4.43Å; F372-E650 HydrophobicContact CD2-CG 3.7Å; F372-E650 HydrophobicContact CE1-CG 4Å; F372-E650 HydrophobicContact CE2-CB 4.32Å; F372-E650 HydrophobicContact CE2-CG 3.08Å; F372-E650 HydrophobicContact CG-CG 4.42Å; F372-E650 HydrophobicContact CZ-CB 4.3Å; F372-E650 HydrophobicContact CZ-CG 3.24Å
373G58.3Low58Low29 Ų2970.8 Ų70.830%0.29941%0.406SS..Hα-helixtrans-57-30.2175.100000112.3P370 Q371 V376 S377P370-G373 WeakPolarHBondContact O-CA 3.23Å; P370-G373 PolarHBondContact O-N 3.48Å; Q371-G373 VanDerWaalsContact C-N 3.35Å; G373-V376 CarbonylContact O-C 3.5Å; G373-V376 PolarHBondContact O-N 3.3Å; G373-S377 WeakPolarHBondContact O-CA 3.29Å; G373-S377 WeakPolarHBondContact O-CB 3.47Å; G373-S377 PolarHBondContact O-N 2.85Å; G373-S377 PolarHBondContact O-OG 3.4Å; G373-S377 VanDerWaalsContact O-OG 3.1Å
374D60.7Low57.9Low115 Ų11574 Ų7462%0.61543%0.43SS*.Hα-helixtrans-68.4-36.2178.7-68.8-15.6000113.4F372 S377 K378F372-D374 PolarHBondContact O-N 2.94Å; D374-S377 WeakPolarHBondContact CA-OG 3.38Å; D374-S377 PolarHBondContact O-OG 2.85Å; D374-K378 VanDerWaalsContact O-CG 3.29Å; D374-K378 WeakPolarHBondContact O-CG 3.47Å; D374-K378 PolarHBondContact O-N 2.82Å
375I61.2Low58.1Low27 Ų2778.5 Ų78.514%0.13845%0.452CS..Hα-helixtrans-70.4-43.6175.3-66165.5000109.1F372 M379 E643 I647F372-I375 HydrophobicContact CD1-CD1 3.95Å; F372-I375 HydrophobicContact CE1-CD1 4.4Å; F372-I375 PolarHBondContact O-N 3.01Å; I375-M379 HydrophobicContact CG2-CE 3.83Å; I375-M379 WeakPolarHBondContact O-CG 3.37Å; I375-E643 HydrophobicContact CD1-CG 3.61Å; I375-E643 HydrophobicContact CG1-CG 4.12Å; I375-E643 WeakPolarHBondContact CG2-OE1 3.44Å; I375-I647 HydrophobicContact CD1-CD1 4.32Å; I375-I647 HydrophobicContact CD1-CG1 4.12Å; I375-I647 HydrophobicContact CG2-CD1 4.13Å
376V61.6Low58.9Low22 Ų2277.5 Ų77.513%0.13344%0.44CS..Hα-helixtrans-67.9-37.5178.8172.20000112F368 F372 G373 M379 I381 L387F368-V376 HydrophobicContact CD2-CG2 4.18Å; F368-V376 HydrophobicContact CE2-CG2 4.34Å; F372-V376 PolarHBondContact O-N 3.44Å; G373-V376 CarbonylContact O-C 3.5Å; G373-V376 PolarHBondContact O-N 3.3Å; V376-M379 WeakPolarHBondContact O-CB 3.45Å; V376-M379 PolarHBondContact O-N 3.26Å; V376-M379 VanDerWaalsContact O-N 3.09Å; V376-I381 HydrophobicContact CG1-CB 4.41Å; V376-L387 HydrophobicContact CB-CD2 4.39Å; V376-L387 HydrophobicContact CG1-CD1 4.4Å; V376-L387 HydrophobicContact CG1-CD2 3.67Å; V376-L387 HydrophobicContact CG2-CD2 3.82Å
377S62.6Low59.8Low71 Ų7172.6 Ų72.650%0.49742%0.418SS..Hα-helixtrans-69.5-36.4-178.567.30000111.4G373 D374 M379 N380G373-S377 WeakPolarHBondContact O-CA 3.29Å; G373-S377 WeakPolarHBondContact O-CB 3.47Å; G373-S377 PolarHBondContact O-N 2.85Å; G373-S377 PolarHBondContact O-OG 3.4Å; G373-S377 VanDerWaalsContact O-OG 3.1Å; D374-S377 WeakPolarHBondContact CA-OG 3.38Å; D374-S377 PolarHBondContact O-OG 2.85Å; S377-M379 PolarHBondContact O-N 3.25Å; S377-N380 PolarHBondContact O-N 2.93Å
378K63.1Low60.9Low159 Ų15967.4 Ų67.469%0.69138%0.383SS*.Hα-helixtrans-57.8-25.3169.8-76.3175.3-176.2-179.30113.2D374 N380D374-K378 VanDerWaalsContact O-CG 3.29Å; D374-K378 WeakPolarHBondContact O-CG 3.47Å; D374-K378 PolarHBondContact O-N 2.82Å; K378-N380 VanDerWaalsContact C-N 3.34Å
379M62.8Low62.2Low39 Ų3966.7 Ų66.719%0.19238%0.381CS..THydrogen-bonded Turntrans-86.92.4-177.9-63175.7-177.800113.7I375 V376 S377 I381 L390 W392 I637I375-M379 HydrophobicContact CG2-CE 3.83Å; I375-M379 WeakPolarHBondContact O-CG 3.37Å; V376-M379 WeakPolarHBondContact O-CB 3.45Å; V376-M379 PolarHBondContact O-N 3.26Å; V376-M379 VanDerWaalsContact O-N 3.09Å; S377-M379 PolarHBondContact O-N 3.25Å; M379-I381 HydrophobicContact CB-CD1 3.62Å; M379-I381 HydrophobicContact CB-CG1 3.67Å; M379-I381 HydrophobicContact CG-CD1 4.46Å; M379-I381 WeakPolarHBondContact O-CG1 3.12Å; M379-I381 PolarHBondContact O-N 3.35Å; M379-I381 VanDerWaalsContact O-N 3.16Å; M379-I381 HydrophobicContact SD-CD1 4.08Å; M379-L390 HydrophobicContact SD-CD1 4.25Å; M379-W392 HydrophobicContact CE-CZ2 4.45Å; M379-I637 HydrophobicContact CE-CD1 3.69Å; M379-I637 HydrophobicContact SD-CD1 3.86Å
380N60.2Low63.6Low155 Ų15565.5 Ų65.583%0.82937%0.373SS*.THydrogen-bonded Turntrans50.436.2-175.7-82.3-18.2000113.2S377 K378S377-N380 PolarHBondContact O-N 2.93Å; K378-N380 VanDerWaalsContact C-N 3.34Å
381I62.8Low65.3Low27 Ų2759.6 Ų59.614%0.13833%0.334CS..  trans-88.9116.6-178-62.3176.9000109.5V376 M379 E386 L387 L390V376-I381 HydrophobicContact CG1-CB 4.41Å; M379-I381 HydrophobicContact CB-CD1 3.62Å; M379-I381 HydrophobicContact CB-CG1 3.67Å; M379-I381 HydrophobicContact CG-CD1 4.46Å; M379-I381 WeakPolarHBondContact O-CG1 3.12Å; M379-I381 PolarHBondContact O-N 3.35Å; M379-I381 VanDerWaalsContact O-N 3.16Å; M379-I381 HydrophobicContact SD-CD1 4.08Å; I381-E386 HydrophobicContact CG2-CB 3.5Å; I381-E386 VanDerWaalsContact CG2-CB 3.5Å; I381-E386 HydrophobicContact CG2-CG 4.39Å; I381-L387 HydrophobicContact CD1-CD2 4.13Å; I381-L387 HydrophobicContact CG2-CD2 4.19Å; I381-L387 HydrophobicContact CG2-CG 4.46Å; I381-L390 HydrophobicContact CD1-CD1 3.57Å; I381-L390 HydrophobicContact CD1-CD2 3.9Å; I381-L390 HydrophobicContact CD1-CG 4.2Å
382S54.2Low67.2Low108 Ų10853.4 Ų53.476%0.75531%0.305SS*.  trans-79.1-18.3-171.767.20000114.9E386S382-E386 PolarHBondContact OG-OE1 2.85Å
383S56.9Low68.8Low45 Ų4552.5 Ų52.532%0.31530%0.301SS..  trans-145148.3-171.574.50000114.7N385 E386S383-N385 PolarHBondContact O-N 3.48Å; S383-N385 VanDerWaalsContact O-N 3.16Å; S383-E386 PolarHBondContact O-N 3.3Å; S383-E386 VanDerWaalsContact O-N 3.15Å; S383-E386 PolarHBondContact OG-N 3.47Å
384S57.6Low70.7Confident85 Ų8551.1 Ų51.159%0.59429%0.287SS*.THydrogen-bonded Turntrans-58.8-25.2172.460.70000113.2E386 L387S384-E386 VanDerWaalsContact C-N 3.34Å; S384-L387 WeakPolarHBondContact O-CB 3.41Å; S384-L387 PolarHBondContact O-N 2.92Å
385N58.4Low72.4Confident106 Ų10645.6 Ų45.657%0.56726%0.258SS*.THydrogen-bonded Turntrans-72.3-25.7179.9-73.8-13000112.9R224 S383R224-N385 PolarHBondContact NH2-O 3.47Å; S383-N385 PolarHBondContact O-N 3.48Å; S383-N385 VanDerWaalsContact O-N 3.16Å
386E66.5Low74.1Confident55 Ų5544.3 Ų44.326%0.25725%0.251SS..THydrogen-bonded Turntrans-76.4-29.1175.5-78.4-173.8-130.200112.5I381 S382 S383 S384 D388 L389 K635I381-E386 HydrophobicContact CG2-CB 3.5Å; I381-E386 VanDerWaalsContact CG2-CB 3.5Å; I381-E386 HydrophobicContact CG2-CG 4.39Å; S382-E386 PolarHBondContact OG-OE1 2.85Å; S383-E386 PolarHBondContact O-N 3.3Å; S383-E386 VanDerWaalsContact O-N 3.15Å; S383-E386 PolarHBondContact OG-N 3.47Å; S384-E386 VanDerWaalsContact C-N 3.34Å; E386-D388 PolarHBondContact O-N 3.43Å; E386-L389 PolarHBondContact O-N 2.92Å; E386-K635 IonicContact OE2-NZ 3.93Å; E386-K635 PolarHBondContact OE2-NZ 2.63Å
387L72.5Confident75.8Confident23 Ų2343.3 Ų43.312%0.1225%0.245CC..THydrogen-bonded Turntrans-61.2-19.3178.8-61.5172.1000113.4F368 V376 I381 S384 L390 R651F368-L387 HydrophobicContact CD2-CD1 4.09Å; F368-L387 HydrophobicContact CE2-CD2 4.34Å; V376-L387 HydrophobicContact CB-CD2 4.39Å; V376-L387 HydrophobicContact CG1-CD1 4.4Å; V376-L387 HydrophobicContact CG1-CD2 3.67Å; V376-L387 HydrophobicContact CG2-CD2 3.82Å; I381-L387 HydrophobicContact CD1-CD2 4.13Å; I381-L387 HydrophobicContact CG2-CD2 4.19Å; I381-L387 HydrophobicContact CG2-CG 4.46Å; S384-L387 WeakPolarHBondContact O-CB 3.41Å; S384-L387 PolarHBondContact O-N 2.92Å; L387-L390 HydrophobicContact CD2-CD1 3.81Å; L387-R651 PolarHBondContact O-NH2 3.29Å; L387-R651 VanDerWaalsContact O-NH2 3.09Å
388D77.6Confident77.4Confident4 Ų440 Ų402%0.02122%0.222CC..THydrogen-bonded Turntrans-77.7-22.7178.9-163.232.9000113.7R224 H359 A360 S361 E386 R391R224-D388 IonicContact CZ-OD2 3.81Å; R224-D388 IonicContact NH1-OD2 3.71Å; R224-D388 PolarHBondContact NH1-OD2 3.17Å; R224-D388 VanDerWaalsContact NH2-CB 3.29Å; R224-D388 IonicContact NH2-OD2 2.86Å; R224-D388 PolarHBondContact NH2-OD2 2.97Å; R224-D388 VanDerWaalsContact NH2-OD2 3.14Å; H359-D388 VanDerWaalsContact CB-CG 3.46Å; H359-D388 WeakPolarHBondContact CB-OD1 3.42Å; H359-D388 VanDerWaalsContact CB-OD2 3.32Å; H359-D388 WeakPolarHBondContact CB-OD2 3.46Å; A360-D388 WeakPolarHBondContact CB-OD2 3.39Å; A360-D388 VanDerWaalsContact N-CG 3.26Å; A360-D388 PolarHBondContact N-OD1 3.4Å; A360-D388 PolarHBondContact N-OD2 3.43Å; S361-D388 VanDerWaalsContact CB-O 3.31Å; S361-D388 WeakPolarHBondContact CB-O 3.45Å; S361-D388 WeakPolarHBondContact CB-OD1 3.25Å; S361-D388 PolarHBondContact N-OD1 3.28Å; S361-D388 WeakPolarHBondContact OG-CA 3.26Å; S361-D388 PolarHBondContact OG-OD1 3.1Å; E386-D388 PolarHBondContact O-N 3.43Å; D388-R391 PolarHBondContact O-NH1 3.26Å
389L86Confident78.8Confident21 Ų2133.5 Ų33.511%0.1119%0.194CC..SBendtrans-100.85.9-179.3-61.8-177.5000112.4R224 A225 A360 E386 N633 I634 K635R224-L389 HydrophobicContact CG-CD1 4.41Å; A225-L389 HydrophobicContact CB-CD2 4Å; A360-L389 HydrophobicContact CB-CD2 4.21Å; E386-L389 PolarHBondContact O-N 2.92Å; L389-N633 HydrophobicContact CD1-CB 4.08Å; L389-I634 HydrophobicContact CD2-CG1 4.48Å; L389-I634 CarbonylContact O-C 3.44Å; L389-I634 VanDerWaalsContact O-CA 3.26Å; L389-I634 WeakPolarHBondContact O-CA 3.28Å; L389-I634 WeakPolarHBondContact O-CG2 3.35Å; L389-K635 PolarHBondContact O-N 3.39Å
390L86.7Confident80.3Confident3 Ų331.7 Ų31.72%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-80.9140.8175-62.3-176.9000111.4M379 I381 L387 W392 K635 I637M379-L390 HydrophobicContact SD-CD1 4.25Å; I381-L390 HydrophobicContact CD1-CD1 3.57Å; I381-L390 HydrophobicContact CD1-CD2 3.9Å; I381-L390 HydrophobicContact CD1-CG 4.2Å; L387-L390 HydrophobicContact CD2-CD1 3.81Å; L390-W392 HydrophobicContact CB-CH2 3.98Å; L390-W392 HydrophobicContact CB-CZ3 3.91Å; L390-W392 HydrophobicContact CD1-CH2 3.81Å; L390-W392 HydrophobicContact CD1-CZ2 4.17Å; L390-K635 WeakPolarHBondContact CA-O 3.46Å; L390-K635 HydrophobicContact CD2-CB 3.9Å; L390-K635 HydrophobicContact CD2-CD 4.31Å; L390-I637 HydrophobicContact CB-CD1 4.06Å; L390-I637 HydrophobicContact CD1-CD1 4.01Å; L390-I637 HydrophobicContact CD2-CD1 4.29Å; L390-I637 HydrophobicContact CG-CD1 4.35Å
391R90Very high81.9Confident3 Ų324.3 Ų24.31%0.01115%0.146CC..EExtended strand (participates in β ladder)trans-133.2118.7170.4-59.5-67.7-179.8-90.80.8109.8A360 D388 F596 L597 N599 P600 I634 K635 L636 I637A360-R391 PolarHBondContact O-NH2 2.91Å; D388-R391 PolarHBondContact O-NH1 3.26Å; R391-F596 VanDerWaalsContact CD-O 3.25Å; R391-F596 WeakPolarHBondContact CD-O 3.4Å; R391-F596 WeakPolarHBondContact CG-O 3.44Å; R391-F596 PolarHBondContact NE-O 3.15Å; R391-F596 VanDerWaalsContact NE-O 3.14Å; R391-L597 PolarHBondContact NE-O 3.5Å; R391-L597 PolarHBondContact NH2-O 2.91Å; R391-N599 WeakPolarHBondContact CD-O 3.37Å; R391-P600 CarbonylContact C-O 3.57Å; R391-P600 WeakPolarHBondContact CA-O 3.47Å; R391-I634 HydrophobicContact CB-CG2 4.07Å; R391-I634 HydrophobicContact CG-CG2 3.31Å; R391-K635 PolarHBondContact N-O 3.34Å; R391-L636 HydrophobicContact CB-CD2 3.85Å; R391-L636 HydrophobicContact CG-CD2 4.47Å; R391-L636 WeakPolarHBondContact O-CA 3.38Å; R391-I637 WeakPolarHBondContact O-CG1 3.1Å; R391-I637 PolarHBondContact O-N 2.85Å
392W91.9Very high83.2Confident3 Ų324.4 Ų24.41%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-81.1126.6173.2-71.4-96.6000110.1F368 M379 L390 P600 V601 S602 I637 L644 I647F368-W392 HydrophobicContact CE2-CH2 4.07Å; F368-W392 AromaticContact CZ-CH2 3.64Å; F368-W392 HydrophobicContact CZ-CH2 3.64Å; F368-W392 HydrophobicContact CZ-CZ2 4.3Å; F368-W392 HydrophobicContact CZ-CZ3 4.32Å; M379-W392 HydrophobicContact CE-CZ2 4.45Å; L390-W392 HydrophobicContact CB-CH2 3.98Å; L390-W392 HydrophobicContact CB-CZ3 3.91Å; L390-W392 HydrophobicContact CD1-CH2 3.81Å; L390-W392 HydrophobicContact CD1-CZ2 4.17Å; W392-P600 PolarHBondContact N-O 3.06Å; W392-V601 HydrophobicContact CB-CG2 4.2Å; W392-V601 HydrophobicContact CE3-CG2 4.27Å; W392-S602 PolarHBondContact O-N 3.32Å; W392-I637 CarbonylContact C-O 3.58Å; W392-I637 VanDerWaalsContact CA-O 3.29Å; W392-I637 WeakPolarHBondContact CA-O 3.44Å; W392-I637 HydrophobicContact CD2-CD1 3.66Å; W392-I637 HydrophobicContact CD2-CG1 4.06Å; W392-I637 HydrophobicContact CE3-CD1 4.31Å; W392-I637 HydrophobicContact CG-CD1 3.99Å; W392-I637 HydrophobicContact CG-CG1 3.93Å; W392-I637 HydrophobicContact CH2-CD1 4.16Å; W392-I637 HydrophobicContact CZ2-CD1 3.51Å; W392-I637 VanDerWaalsContact NE1-CD1 3.3Å; W392-L644 HydrophobicContact CB-CD1 3.49Å; W392-L644 VanDerWaalsContact CB-CD1 3.49Å; W392-L644 HydrophobicContact CG-CD1 3.82Å; W392-I647 HydrophobicContact CD2-CD1 4.42Å; W392-I647 HydrophobicContact CD2-CG2 4.12Å; W392-I647 HydrophobicContact CE3-CG2 4.19Å; W392-I647 HydrophobicContact CH2-CG2 4.23Å; W392-I647 HydrophobicContact CZ2-CD1 4.01Å; W392-I647 HydrophobicContact CZ2-CG2 4.09Å; W392-I647 HydrophobicContact CZ3-CG2 4.26Å; W392-I647 VanDerWaalsContact NE1-CD1 3.29Å
393V94.5Very high84.3Confident2 Ų222.6 Ų22.61%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-122.6130.9175.861.80000110.4V395 I428 F596 S602 F604 F625 I637 T638V393-V395 HydrophobicContact CG2-CG2 4.38Å; V393-I428 HydrophobicContact CG1-CD1 4.38Å; V393-I428 HydrophobicContact CG1-CG2 4.41Å; V393-F596 HydrophobicContact CB-CE1 4.06Å; V393-F596 HydrophobicContact CG2-CE1 3.8Å; V393-F596 HydrophobicContact CG2-CZ 4.01Å; V393-S602 WeakPolarHBondContact CA-O 3.47Å; V393-F604 HydrophobicContact CG2-CD2 3.97Å; V393-F604 HydrophobicContact CG2-CE2 4.07Å; V393-F625 HydrophobicContact CG1-CE1 4.36Å; V393-F625 HydrophobicContact CG1-CZ 4.38Å; V393-F625 HydrophobicContact CG2-CE1 4.12Å; V393-F625 HydrophobicContact CG2-CZ 4.14Å; V393-I637 PolarHBondContact N-O 2.94Å; V393-T638 WeakPolarHBondContact O-CA 3.32Å; V393-T638 WeakPolarHBondContact O-CB 3.2Å; V393-T638 PolarHBondContact O-OG1 3.19Å
394L96.4Very high85.3Confident0 Ų022.5 Ų22.50%013%0.129CC..EExtended strand (participates in β ladder)trans-125.2131.8169.1-179.365.6000108.4D396 N434 W464 S602 I603 F604 P641 L644L394-D396 WeakPolarHBondContact CD2-OD1 3.46Å; L394-D396 WeakPolarHBondContact CG-OD1 3.31Å; L394-N434 HydrophobicContact CD1-CB 3.92Å; L394-W464 HydrophobicContact CD1-CE3 4.25Å; L394-W464 HydrophobicContact CD1-CZ3 4.17Å; L394-S602 PolarHBondContact N-O 3.17Å; L394-I603 HydrophobicContact CB-CG1 4.34Å; L394-I603 HydrophobicContact CB-CG2 4.27Å; L394-I603 HydrophobicContact CD2-CG2 4Å; L394-I603 HydrophobicContact CG-CG2 4.32Å; L394-I603 WeakPolarHBondContact O-CA 3.45Å; L394-F604 PolarHBondContact O-N 3.45Å; L394-P641 HydrophobicContact CD2-CB 4.44Å; L394-P641 HydrophobicContact CD2-CG 3.89Å; L394-L644 HydrophobicContact CB-CD2 4.12Å; L394-L644 HydrophobicContact CD2-CD2 4.28Å
395V97.5Very high86Confident0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-111103.2175.2-178.40000108.2V393 I397 F431 F433 N434 Y611 F621V393-V395 HydrophobicContact CG2-CG2 4.38Å; V395-I397 HydrophobicContact CG1-CG1 4.47Å; V395-F431 HydrophobicContact CB-CZ 4.28Å; V395-F431 HydrophobicContact CG2-CE2 4.12Å; V395-F431 HydrophobicContact CG2-CZ 3.97Å; V395-F433 HydrophobicContact CB-CD1 4.08Å; V395-F433 HydrophobicContact CB-CE1 4.38Å; V395-F433 HydrophobicContact CG1-CD1 3.93Å; V395-F433 HydrophobicContact CG1-CE1 4.02Å; V395-N434 PolarHBondContact O-N 2.93Å; V395-N434 VanDerWaalsContact O-N 3.08Å; V395-Y611 WeakPolarHBondContact CG1-OH 3.38Å; V395-F621 HydrophobicContact CB-CE2 4.49Å; V395-F621 HydrophobicContact CB-CZ 4.45Å; V395-F621 HydrophobicContact CG1-CD2 4.27Å; V395-F621 HydrophobicContact CG1-CE2 3.53Å; V395-F621 HydrophobicContact CG1-CZ 3.79Å; V395-F621 HydrophobicContact CG2-CD1 4.26Å; V395-F621 HydrophobicContact CG2-CD2 4.47Å; V395-F621 HydrophobicContact CG2-CE1 3.88Å; V395-F621 HydrophobicContact CG2-CE2 4.08Å; V395-F621 HydrophobicContact CG2-CZ 3.79Å
396D97.3Very high86.6Confident0 Ų029 Ų290%014%0.142CC..EExtended strand (participates in β ladder)trans-88.7120.7174.8-76-7000109L394 N434 F466 Y505 R561 F604 T606L394-D396 WeakPolarHBondContact CD2-OD1 3.46Å; L394-D396 WeakPolarHBondContact CG-OD1 3.31Å; D396-N434 CarbonylContact C-O 3.57Å; D396-N434 WeakPolarHBondContact CA-O 3.44Å; D396-N434 WeakPolarHBondContact OD1-CB 3.12Å; D396-N434 PolarHBondContact OD1-ND2 3.33Å; D396-F466 HydrophobicContact CB-CE1 3.92Å; D396-F466 HydrophobicContact CB-CZ 4Å; D396-Y505 PolarHBondContact OD2-OH 3.05Å; D396-R561 PolarHBondContact O-NH2 2.99Å; D396-R561 IonicContact OD2-CZ 3.81Å; D396-R561 IonicContact OD2-NE 2.92Å; D396-F604 PolarHBondContact N-O 3.14Å; D396-T606 PolarHBondContact O-N 3.28Å; D396-T606 PolarHBondContact O-OG1 2.92Å
397I97.1Very high87.1Confident0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-100.1100176.1-54.2-177.9000108.2V395 M417 F433 N434 G436 L608 Y611V395-I397 HydrophobicContact CG1-CG1 4.47Å; I397-M417 HydrophobicContact CD1-CE 3.4Å; I397-M417 VanDerWaalsContact CD1-CE 3.4Å; I397-F433 HydrophobicContact CD1-CB 3.9Å; I397-F433 HydrophobicContact CD1-CD1 3.61Å; I397-F433 HydrophobicContact CD1-CE1 4.21Å; I397-F433 HydrophobicContact CD1-CG 3.84Å; I397-F433 HydrophobicContact CG1-CD1 4.17Å; I397-N434 PolarHBondContact N-O 3.36Å; I397-G436 PolarHBondContact O-N 3.4Å; I397-L608 HydrophobicContact CG2-CB 4.04Å; I397-L608 HydrophobicContact CG2-CD1 4.38Å; I397-Y611 HydrophobicContact CB-CE2 4.39Å; I397-Y611 HydrophobicContact CD1-CD2 4.26Å; I397-Y611 HydrophobicContact CD1-CE1 4.03Å; I397-Y611 HydrophobicContact CD1-CE2 3.63Å; I397-Y611 VanDerWaalsContact CD1-CZ 3.49Å; I397-Y611 HydrophobicContact CG1-CE2 3.74Å; I397-Y611 HydrophobicContact CG2-CD2 4.21Å; I397-Y611 HydrophobicContact CG2-CE2 3.85Å
398D95.5Very high87.4Confident3 Ų331.9 Ų31.92%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-74.1165.8177.5-75.57.4000111.9V400 F466 H468 R561 M605 T606 H607 L608D398-V400 VanDerWaalsContact C-N 3.34Å; D398-V400 PolarHBondContact O-N 3.22Å; D398-F466 VanDerWaalsContact OD1-CZ 3.26Å; D398-F466 WeakPolarHBondContact OD1-CZ 3.46Å; D398-H468 VanDerWaalsContact CG-CE1 3.43Å; D398-H468 IonicContact OD1-CE1 3.59Å; D398-H468 PolarHBondContact OD1-CE1 3.09Å; D398-H468 IonicContact OD1-NE2 3.24Å; D398-H468 IonicContact OD2-CE1 2.75Å; D398-R561 VanDerWaalsContact CG-NH1 3.33Å; D398-R561 IonicContact OD1-CZ 3.98Å; D398-R561 VanDerWaalsContact OD1-CZ 3.3Å; D398-R561 IonicContact OD1-NH1 2.7Å; D398-R561 PolarHBondContact OD1-NH1 2.9Å; D398-R561 IonicContact OD1-NH2 3.97Å; D398-R561 PolarHBondContact OD1-NH2 3.28Å; D398-R561 IonicContact OD2-CZ 2.79Å; D398-R561 IonicContact OD2-NH1 2.89Å; D398-R561 PolarHBondContact OD2-NH1 3.47Å; D398-R561 IonicContact OD2-NH2 3.75Å; D398-R561 PolarHBondContact OD2-NH2 2.89Å; D398-M605 WeakPolarHBondContact OD2-CE 3.46Å; D398-T606 PolarHBondContact N-O 3.18Å; D398-H607 WeakPolarHBondContact O-CA 3.25Å; D398-L608 PolarHBondContact O-N 2.72Å; D398-L608 VanDerWaalsContact O-N 3.08Å
399D92.9Very high87.9Confident22 Ų2233.3 Ų33.312%0.11817%0.165CC..EExtended strand (participates in β ladder)trans64.732.1165.3-65.8-11.8000115F401 V402 G436 H468 H472 H607D399-F401 PolarHBondContact O-N 3.25Å; D399-V402 HydrophobicContact CB-CB 3.92Å; D399-V402 HydrophobicContact CB-CG2 3.86Å; D399-V402 WeakPolarHBondContact O-CB 3.43Å; D399-V402 PolarHBondContact O-N 3.16Å; D399-V402 VanDerWaalsContact O-N 3.08Å; D399-G436 PolarHBondContact N-O 3.43Å; D399-H468 PolarHBondContact N-NE2 3.16Å; D399-H472 IonicContact OD1-CD2 2.92Å; D399-H472 PolarHBondContact OD1-CD2 3.22Å; D399-H472 IonicContact OD1-NE2 3.2Å; D399-H472 PolarHBondContact OD1-NE2 3.34Å; D399-H472 IonicContact OD2-NE2 2.64Å; D399-H607 IonicContact OD2-CD2 3.78Å; D399-H607 PolarHBondContact OD2-CD2 3.45Å
400V94.5Very high88.2Confident0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-62.2129.4169.1-178.30000109.5D398 V402 M435 G436 F437 C438 W465 L608D398-V400 VanDerWaalsContact C-N 3.34Å; D398-V400 PolarHBondContact O-N 3.22Å; V400-V402 VanDerWaalsContact C-N 3.26Å; V400-V402 PolarHBondContact O-N 2.72Å; V400-M435 HydrophobicContact CB-CE 4.22Å; V400-M435 HydrophobicContact CG1-CE 3.73Å; V400-M435 HydrophobicContact CG2-CB 4.15Å; V400-M435 HydrophobicContact CG2-CE 3.41Å; V400-M435 VanDerWaalsContact CG2-CE 3.41Å; V400-G436 VanDerWaalsContact CB-O 3.26Å; V400-G436 WeakPolarHBondContact CB-O 3.46Å; V400-G436 VanDerWaalsContact CG2-O 3.28Å; V400-G436 WeakPolarHBondContact CG2-O 3.31Å; V400-G436 PolarHBondContact N-O 3.18Å; V400-F437 HydrophobicContact CB-CB 3.98Å; V400-F437 HydrophobicContact CG1-CB 4.38Å; V400-C438 PolarHBondContact O-N 2.9Å; V400-W465 HydrophobicContact CB-CZ3 4.47Å; V400-W465 HydrophobicContact CG1-CH2 4.12Å; V400-W465 HydrophobicContact CG1-CZ3 3.89Å; V400-L608 HydrophobicContact CB-CD2 4.42Å; V400-L608 HydrophobicContact CG1-CD2 4.21Å; V400-L608 HydrophobicContact CG2-CB 4.47Å; V400-L608 HydrophobicContact CG2-CD2 4.33Å
401F93.8Very high88.5Confident0 Ų036.4 Ų36.40%018%0.184CC..THydrogen-bonded Turntrans76.5-13.3-172.1-46.3-49.6000116.5D399 F437 F441 F442 Y453 L457 W465 F493D399-F401 PolarHBondContact O-N 3.25Å; F401-F437 HydrophobicContact CD2-CB 4.08Å; F401-F437 HydrophobicContact CE2-CB 4.09Å; F401-F441 HydrophobicContact CB-CB 4.37Å; F401-F441 WeakPolarHBondContact O-CB 3.49Å; F401-F442 HydrophobicContact CB-CB 4.4Å; F401-F442 AromaticContact CD1-CD2 3.85Å; F401-F442 HydrophobicContact CD1-CD2 3.85Å; F401-F442 HydrophobicContact CD2-CB 4.4Å; F401-F442 HydrophobicContact CD2-CD2 4.49Å; F401-F442 AromaticContact CE1-CD2 3.8Å; F401-F442 HydrophobicContact CE1-CD2 3.8Å; F401-F442 HydrophobicContact CE1-CE2 4.29Å; F401-F442 HydrophobicContact CE2-CD2 4.46Å; F401-F442 HydrophobicContact CG-CB 4.24Å; F401-F442 HydrophobicContact CG-CD2 4.2Å; F401-F442 HydrophobicContact CZ-CD2 4.12Å; F401-Y453 HydrophobicContact CB-CD2 4.36Å; F401-Y453 HydrophobicContact CB-CE2 4.07Å; F401-Y453 AromaticContact CD1-CD1 3.75Å; F401-Y453 HydrophobicContact CD1-CD1 3.75Å; F401-Y453 AromaticContact CD1-CD2 3.61Å; F401-Y453 HydrophobicContact CD1-CD2 3.61Å; F401-Y453 HydrophobicContact CD1-CE1 4.21Å; F401-Y453 HydrophobicContact CD1-CE2 4.05Å; F401-Y453 AromaticContact CD1-CG 3.44Å; F401-Y453 HydrophobicContact CD1-CG 3.44Å; F401-Y453 VanDerWaalsContact CD1-CG 3.44Å; F401-Y453 HydrophobicContact CE1-CD1 4.22Å; F401-Y453 HydrophobicContact CE1-CD2 4.41Å; F401-Y453 AromaticContact CE1-CG 3.89Å; F401-Y453 HydrophobicContact CE1-CG 3.89Å; F401-Y453 HydrophobicContact CG-CD2 4.41Å; F401-Y453 PolarHBondContact O-OH 2.92Å; F401-L457 HydrophobicContact CZ-CD2 3.94Å; F401-L457 HydrophobicContact CZ-CG 4.17Å; F401-W465 HydrophobicContact CE2-CZ3 4.37Å; F401-W465 HydrophobicContact CZ-CH2 4.31Å; F401-W465 HydrophobicContact CZ-CZ3 4.39Å; F401-F493 HydrophobicContact CD2-CE1 4.35Å; F401-F493 HydrophobicContact CD2-CZ 4.46Å; F401-F493 AromaticContact CE2-CE1 3.95Å; F401-F493 HydrophobicContact CE2-CE1 3.95Å; F401-F493 HydrophobicContact CE2-CZ 4.21Å
402V88.9Confident88.8Confident30 Ų3040.4 Ų40.418%0.18221%0.206CC..  trans-70.4123.9177.4-175.40000108.6D399 V400 C438 F441D399-V402 HydrophobicContact CB-CB 3.92Å; D399-V402 HydrophobicContact CB-CG2 3.86Å; D399-V402 WeakPolarHBondContact O-CB 3.43Å; D399-V402 PolarHBondContact O-N 3.16Å; D399-V402 VanDerWaalsContact O-N 3.08Å; V400-V402 VanDerWaalsContact C-N 3.26Å; V400-V402 PolarHBondContact O-N 2.72Å; V402-C438 HydrophobicContact CG2-CB 3.98Å; V402-F441 HydrophobicContact CG2-CD2 3.9Å; V402-F441 HydrophobicContact CG2-CE2 4.12Å
403P77.3Confident88.9Confident69 Ų6940.4 Ų40.445%0.44821%0.206SC..  trans-74.1139.9-175.930-34.5000111F441P403-F441 VanDerWaalsContact CD-CD1 3.42Å; P403-F441 HydrophobicContact CG-CD1 4.13Å
404D78.6Confident88.9Confident43 Ų4340.5 Ų40.523%0.2321%0.206CC..  trans-119.2137169.3-166.4-44.1000108.7D406 A407 V609D404-D406 PolarHBondContact OD1-N 3.18Å; D404-A407 HydrophobicContact CB-CB 4.06Å; D404-A407 PolarHBondContact OD1-N 3.17Å; D404-V609 HydrophobicContact CB-CG1 3.53Å
405R71.5Confident89Confident203 Ų20343.5 Ų43.577%0.76622%0.222SC*.SBendtrans-80.8-27.2-176.8-68.5-173.3-178.5-1712112.3
406D72.8Confident88.9Confident124 Ų12444.1 Ų44.166%0.66323%0.228SC*.SBendtrans-100.8-10.6-172-57.6-37.4000111.6D404D404-D406 PolarHBondContact OD1-N 3.18Å
407A75Confident88.9Confident13 Ų1344.2 Ų44.211%0.10723%0.228CC..  trans-107.1129.9177.100000113.1D404 P571 V609 N613D404-A407 HydrophobicContact CB-CB 4.06Å; D404-A407 PolarHBondContact OD1-N 3.17Å; A407-P571 HydrophobicContact CB-CB 4.2Å; A407-V609 HydrophobicContact CB-CB 3.74Å; A407-V609 HydrophobicContact CB-CG1 3.81Å; A407-N613 WeakPolarHBondContact CA-ND2 3.26Å
408H80.1Confident89Confident126 Ų12644.8 Ų44.858%0.58323%0.231SC*.  trans-104123169.4-65.9-47.3000109.8N613H408-N613 PolarHBondContact N-ND2 3.37Å; H408-N613 PolarHBondContact N-OD1 3.48Å; H408-N613 PolarHBondContact O-N 3.42Å; H408-N613 PolarHBondContact O-OD1 3.09Å
409L87.7Confident89.1Confident35 Ų3552.4 Ų52.418%0.18326%0.264CS..  trans-102.3136.7173.9-165.769.1000109D413 I414 V452 Y453 I456 L608L409-D413 HydrophobicContact CD1-CB 3.98Å; L409-I414 HydrophobicContact CD1-CD1 4.27Å; L409-I414 HydrophobicContact CD2-CD1 4.1Å; L409-I414 HydrophobicContact CG-CD1 4.32Å; L409-V452 HydrophobicContact CB-CG1 4.44Å; L409-V452 HydrophobicContact CD2-CG1 3.7Å; L409-V452 HydrophobicContact CG-CG1 3.82Å; L409-V452 WeakPolarHBondContact O-CG2 3.42Å; L409-Y453 HydrophobicContact CD2-CE1 4.46Å; L409-I456 HydrophobicContact CD2-CD1 4.3Å; L409-L608 HydrophobicContact CD2-CD1 4.35Å; L409-L608 HydrophobicContact CD2-CD2 3.75Å; L409-L608 HydrophobicContact CD2-CG 3.95Å
410S92.1Very high89.3Confident43 Ų4352.1 Ų52.130%0.30126%0.264SS..  trans-123.4164.5177.471.80000111.9D412 D413 I414S410-D412 PolarHBondContact O-N 3.44Å; S410-D412 PolarHBondContact OG-N 3.42Å; S410-D413 WeakPolarHBondContact CB-OD2 3.46Å; S410-D413 PolarHBondContact N-OD2 3.35Å; S410-D413 WeakPolarHBondContact O-CB 3.4Å; S410-D413 PolarHBondContact O-N 3.05Å; S410-D413 VanDerWaalsContact O-N 3.15Å; S410-D413 PolarHBondContact OG-N 3.05Å; S410-D413 PolarHBondContact OG-OD2 2.83Å; S410-I414 PolarHBondContact O-N 3.33Å
411I94.1Very high89.4Confident45 Ų4552.1 Ų52.123%0.23127%0.265CS..Hα-helixtrans-59.5-36171.9-69.1176.3000111D413 I414 N415 I451 V452 Y455I411-D413 VanDerWaalsContact C-N 3.28Å; I411-D413 PolarHBondContact O-N 3.05Å; I411-I414 PolarHBondContact O-N 2.81Å; I411-N415 PolarHBondContact O-N 2.92Å; I411-N415 PolarHBondContact O-ND2 3.27Å; I411-I451 HydrophobicContact CD1-CG2 4.01Å; I411-V452 HydrophobicContact CG1-CG2 4.43Å; I411-Y455 HydrophobicContact CB-CD1 4.43Å; I411-Y455 HydrophobicContact CD1-CD2 4.41Å; I411-Y455 HydrophobicContact CD1-CG 4.42Å; I411-Y455 HydrophobicContact CG1-CD1 4.35Å; I411-Y455 HydrophobicContact CG1-CG 4.08Å; I411-Y455 HydrophobicContact CG2-CD1 3.84Å; I411-Y455 HydrophobicContact CG2-CD2 4.16Å; I411-Y455 HydrophobicContact CG2-CE1 3.69Å; I411-Y455 HydrophobicContact CG2-CE2 4.02Å; I411-Y455 HydrophobicContact CG2-CG 4.06Å
412D94.7Very high89.6Confident87 Ų8756 Ų5647%0.46529%0.285SS..Hα-helixtrans-59.5-39.5176.4-17950.4000111.3R43 S410 N415 A416 R615R43-D412 IonicContact CZ-OD2 2.84Å; R43-D412 IonicContact NH2-OD2 2.67Å; R43-D412 PolarHBondContact NH2-OD2 2.75Å; S410-D412 PolarHBondContact O-N 3.44Å; S410-D412 PolarHBondContact OG-N 3.42Å; D412-N415 PolarHBondContact O-N 2.95Å; D412-A416 PolarHBondContact O-N 2.93Å; D412-R615 PolarHBondContact O-NH2 2.94Å; D412-R615 IonicContact OD1-NH2 3.79Å; D412-R615 IonicContact OD2-CZ 3.04Å; D412-R615 IonicContact OD2-NH1 2.72Å; D412-R615 IonicContact OD2-NH2 2.9Å; D412-R615 PolarHBondContact OD2-NH2 3.36Å
413D94.3Very high90Very high4 Ų459.5 Ų59.52%0.02130%0.296CS..Hα-helixtrans-62.8-42.9176.8-59.9-43000112.8R43 L409 S410 I411 N415 A416 M417 Y611 R615R43-D413 IonicContact CZ-OD1 3.64Å; R43-D413 VanDerWaalsContact CZ-OD1 3.26Å; R43-D413 IonicContact NH1-OD1 3.46Å; R43-D413 PolarHBondContact NH1-OD1 2.93Å; R43-D413 IonicContact NH2-OD1 3.68Å; R43-D413 PolarHBondContact NH2-OD1 2.63Å; L409-D413 HydrophobicContact CD1-CB 3.98Å; S410-D413 WeakPolarHBondContact CB-OD2 3.46Å; S410-D413 PolarHBondContact N-OD2 3.35Å; S410-D413 WeakPolarHBondContact O-CB 3.4Å; S410-D413 PolarHBondContact O-N 3.05Å; S410-D413 VanDerWaalsContact O-N 3.15Å; S410-D413 PolarHBondContact OG-N 3.05Å; S410-D413 PolarHBondContact OG-OD2 2.83Å; I411-D413 VanDerWaalsContact C-N 3.28Å; I411-D413 PolarHBondContact O-N 3.05Å; D413-N415 VanDerWaalsContact C-N 3.33Å; D413-N415 PolarHBondContact O-N 3.49Å; D413-A416 PolarHBondContact O-N 3.23Å; D413-M417 WeakPolarHBondContact O-CG 2.99Å; D413-M417 PolarHBondContact O-N 3.44Å; D413-Y611 WeakPolarHBondContact CB-O 3.32Å; D413-R615 IonicContact OD1-CZ 2.69Å; D413-R615 IonicContact OD1-NE 2.67Å; D413-R615 PolarHBondContact OD1-NE 3.4Å; D413-R615 VanDerWaalsContact OD1-NE 3.1Å; D413-R615 IonicContact OD1-NH2 2.8Å; D413-R615 PolarHBondContact OD1-NH2 3.02Å
414I95.7Very high90.9Very high3 Ų356.2 Ų56.22%0.01528%0.275CS..Hα-helixtrans-64.9-39.7175.6-54.1-51.1000111.1L409 S410 I411 A416 M417 I418 V452 Y455 I456L409-I414 HydrophobicContact CD1-CD1 4.27Å; L409-I414 HydrophobicContact CD2-CD1 4.1Å; L409-I414 HydrophobicContact CG-CD1 4.32Å; S410-I414 PolarHBondContact O-N 3.33Å; I411-I414 PolarHBondContact O-N 2.81Å; I414-A416 VanDerWaalsContact C-N 3.32Å; I414-A416 PolarHBondContact O-N 2.97Å; I414-M417 HydrophobicContact CD1-SD 3.96Å; I414-M417 WeakPolarHBondContact O-CB 3.13Å; I414-M417 PolarHBondContact O-N 3.13Å; I414-I418 HydrophobicContact CG2-CD1 4.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.29Å; I414-I418 PolarHBondContact O-N 2.87Å; I414-V452 HydrophobicContact CD1-CG1 4.39Å; I414-V452 HydrophobicContact CG1-CG1 3.84Å; I414-Y455 HydrophobicContact CB-CD1 4.01Å; I414-Y455 HydrophobicContact CB-CE1 4.24Å; I414-Y455 HydrophobicContact CG2-CD1 3.91Å; I414-Y455 HydrophobicContact CG2-CE1 4.1Å; I414-I456 HydrophobicContact CD1-CD1 3.76Å; I414-I456 HydrophobicContact CD1-CG1 3.64Å; I414-I456 HydrophobicContact CG1-CD1 4.33Å; I414-I456 HydrophobicContact CG1-CG1 3.78Å; I414-I456 HydrophobicContact CG2-CG1 4.17Å
415N97.5Very high91.7Very high63 Ų6358 Ų5834%0.33728%0.278SS..Hα-helixtrans-63.3-37.8174.1-79.1-34000112.6I411 D412 D413 I418 K419 Y455I411-N415 PolarHBondContact O-N 2.92Å; I411-N415 PolarHBondContact O-ND2 3.27Å; D412-N415 PolarHBondContact O-N 2.95Å; D413-N415 VanDerWaalsContact C-N 3.33Å; D413-N415 PolarHBondContact O-N 3.49Å; N415-I418 PolarHBondContact O-N 3.24Å; N415-K419 WeakPolarHBondContact O-CB 3.43Å; N415-K419 PolarHBondContact O-N 3.42Å; N415-Y455 PolarHBondContact ND2-OH 3.12Å; N415-Y455 PolarHBondContact OD1-OH 3.24Å
416A96.2Very high92.8Very high14 Ų1453.3 Ų53.312%0.11627%0.272CS..Hα-helixtrans-67.8-35.9174.700000112.8D412 D413 I414 K419 A420 R615 L618D412-A416 PolarHBondContact O-N 2.93Å; D413-A416 PolarHBondContact O-N 3.23Å; I414-A416 VanDerWaalsContact C-N 3.32Å; I414-A416 PolarHBondContact O-N 2.97Å; A416-K419 PolarHBondContact O-N 3.49Å; A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.45Å; A416-A420 PolarHBondContact O-N 2.91Å; A416-R615 VanDerWaalsContact CB-NE 3.32Å; A416-R615 VanDerWaalsContact CB-NH2 3.34Å; A416-L618 HydrophobicContact CB-CD1 3.93Å
417M97.6Very high93.6Very high1 Ų150 Ų501%0.00525%0.252CS..Hα-helixtrans-59.9-49170.9-68173.665.200111.2I397 D413 I414 K419 A420 Q421 F433 L608 Y611 L618I397-M417 HydrophobicContact CD1-CE 3.4Å; I397-M417 VanDerWaalsContact CD1-CE 3.4Å; D413-M417 WeakPolarHBondContact O-CG 2.99Å; D413-M417 PolarHBondContact O-N 3.44Å; I414-M417 HydrophobicContact CD1-SD 3.96Å; I414-M417 WeakPolarHBondContact O-CB 3.13Å; I414-M417 PolarHBondContact O-N 3.13Å; M417-K419 VanDerWaalsContact C-N 3.31Å; M417-K419 PolarHBondContact O-N 3.42Å; M417-A420 PolarHBondContact O-N 3.45Å; M417-Q421 WeakPolarHBondContact O-CB 3.22Å; M417-Q421 PolarHBondContact O-N 3.02Å; M417-F433 HydrophobicContact CB-CE2 4.4Å; M417-L608 HydrophobicContact CE-CD1 4.39Å; M417-L608 HydrophobicContact SD-CD1 4.22Å; M417-Y611 HydrophobicContact CE-CD1 4.08Å; M417-Y611 HydrophobicContact CE-CE1 4.45Å; M417-Y611 HydrophobicContact CE-CG 4.15Å; M417-Y611 HydrophobicContact CG-CD1 3.71Å; M417-Y611 HydrophobicContact CG-CG 4.13Å; M417-Y611 HydrophobicContact SD-CD1 4.03Å; M417-Y611 HydrophobicContact SD-CG 3.9Å; M417-L618 HydrophobicContact CG-CD1 4.39Å; M417-L618 HydrophobicContact CG-CD2 4.43Å
418I97.9Very high94.5Very high13 Ų1349.4 Ų49.47%0.06725%0.247CC..Hα-helixtrans-61.3-42.2178-65.8167.1000110.7I414 N415 Q421 N422 N459 K462 F463I414-I418 HydrophobicContact CG2-CD1 4.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.29Å; I414-I418 PolarHBondContact O-N 2.87Å; N415-I418 PolarHBondContact O-N 3.24Å; I418-Q421 PolarHBondContact O-N 3.12Å; I418-N422 WeakPolarHBondContact O-CB 3.2Å; I418-N422 VanDerWaalsContact O-CG 3.29Å; I418-N422 PolarHBondContact O-N 3.01Å; I418-N422 PolarHBondContact O-ND2 2.97Å; I418-N459 HydrophobicContact CD1-CB 4.08Å; I418-K462 HydrophobicContact CD1-CD 3.98Å; I418-K462 HydrophobicContact CG1-CD 4.25Å; I418-K462 HydrophobicContact CG2-CD 4.12Å; I418-F463 HydrophobicContact CD1-CZ 4.36Å; I418-F463 HydrophobicContact CG1-CE1 4.4Å; I418-F463 HydrophobicContact CG1-CE2 4.45Å; I418-F463 HydrophobicContact CG1-CZ 3.69Å
419K97.6Very high94.9Very high163 Ų16349.2 Ų49.271%0.70925%0.246SC*.Hα-helixtrans-63.7-45.4177.4-174.8180178.5-1790111.8N415 A416 M417 N422 Y423N415-K419 WeakPolarHBondContact O-CB 3.43Å; N415-K419 PolarHBondContact O-N 3.42Å; A416-K419 PolarHBondContact O-N 3.49Å; M417-K419 VanDerWaalsContact C-N 3.31Å; M417-K419 PolarHBondContact O-N 3.42Å; K419-N422 PolarHBondContact O-N 3.28Å; K419-Y423 WeakPolarHBondContact O-CB 3.32Å; K419-Y423 PolarHBondContact O-N 3.14Å
420A97Very high95Very high15 Ų1553.2 Ų53.212%0.12426%0.264CS..Hα-helixtrans-63.2-45.4177.400000111.2A416 M417 N422 Y423 W424 L618A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.45Å; A416-A420 PolarHBondContact O-N 2.91Å; M417-A420 PolarHBondContact O-N 3.45Å; A420-N422 VanDerWaalsContact C-N 3.35Å; A420-N422 PolarHBondContact O-N 3.42Å; A420-Y423 PolarHBondContact O-N 3.09Å; A420-Y423 VanDerWaalsContact O-N 3.16Å; A420-W424 HydrophobicContact CB-CH2 4.29Å; A420-W424 HydrophobicContact CB-CZ2 3.98Å; A420-W424 PolarHBondContact O-N 2.93Å; A420-L618 HydrophobicContact CB-CD2 3.81Å
421Q97.9Very high95.3Very high1 Ų151.2 Ų51.21%0.00525%0.25CS..Hα-helixtrans-55.6-48.4174.7-178.8171.1-84.700111.7M417 I418 Y423 W424 R425 F431 F433 K462M417-Q421 WeakPolarHBondContact O-CB 3.22Å; M417-Q421 PolarHBondContact O-N 3.02Å; I418-Q421 PolarHBondContact O-N 3.12Å; Q421-Y423 VanDerWaalsContact C-N 3.34Å; Q421-Y423 PolarHBondContact O-N 2.81Å; Q421-W424 PolarHBondContact O-N 3.45Å; Q421-R425 WeakPolarHBondContact O-CG 3.26Å; Q421-R425 PolarHBondContact O-N 2.78Å; Q421-F431 HydrophobicContact CB-CD1 4.45Å; Q421-F431 HydrophobicContact CG-CD1 4.01Å; Q421-F431 VanDerWaalsContact CG-O 3.25Å; Q421-F431 WeakPolarHBondContact CG-O 3.41Å; Q421-F433 HydrophobicContact CB-CD2 4.05Å; Q421-F433 HydrophobicContact CB-CE2 3.98Å; Q421-F433 HydrophobicContact CG-CD2 4.43Å; Q421-K462 PolarHBondContact NE2-O 2.64Å
422N97.5Very high95.4Very high81 Ų8149.4 Ų49.443%0.43324%0.241SC..Hα-helixtrans-65.5-35.7177.9-71.6-22.3000113I418 K419 A420 R425I418-N422 WeakPolarHBondContact O-CB 3.2Å; I418-N422 VanDerWaalsContact O-CG 3.29Å; I418-N422 PolarHBondContact O-N 3.01Å; I418-N422 PolarHBondContact O-ND2 2.97Å; K419-N422 PolarHBondContact O-N 3.28Å; A420-N422 VanDerWaalsContact C-N 3.35Å; A420-N422 PolarHBondContact O-N 3.42Å; N422-R425 PolarHBondContact OD1-NH1 2.82Å
423Y96.6Very high95.6Very high103 Ų10345.2 Ų45.240%0.40422%0.219SC..Hα-helixtrans-66.7-46.6174.1174.2-117.5000111.3K419 A420 Q421 R425 T426 F427 N622 E626K419-Y423 WeakPolarHBondContact O-CB 3.32Å; K419-Y423 PolarHBondContact O-N 3.14Å; A420-Y423 PolarHBondContact O-N 3.09Å; A420-Y423 VanDerWaalsContact O-N 3.16Å; Q421-Y423 VanDerWaalsContact C-N 3.34Å; Q421-Y423 PolarHBondContact O-N 2.81Å; Y423-R425 VanDerWaalsContact C-N 3.26Å; Y423-R425 PolarHBondContact O-N 3.24Å; Y423-T426 VanDerWaalsContact O-CB 3.32Å; Y423-T426 WeakPolarHBondContact O-CB 3.31Å; Y423-T426 VanDerWaalsContact O-CG2 3.31Å; Y423-T426 WeakPolarHBondContact O-CG2 3.44Å; Y423-T426 PolarHBondContact O-N 3.48Å; Y423-T426 PolarHBondContact O-OG1 3.41Å; Y423-F427 HydrophobicContact CD1-CE1 4.26Å; Y423-F427 AromaticContact CE1-CE1 3.94Å; Y423-F427 HydrophobicContact CE1-CE1 3.94Å; Y423-F427 HydrophobicContact CE1-CZ 4.49Å; Y423-N622 WeakPolarHBondContact CE1-OD1 3.41Å; Y423-E626 WeakPolarHBondContact CE1-OE1 3.21Å; Y423-E626 PolarHBondContact OH-OE1 2.92Å
424W97.3Very high95.7Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-66.2-28.8179.6-58.3-18.6000112.5A420 Q421 T426 F427 I428 F431 F433 L618 F621 N622 F625A420-W424 HydrophobicContact CB-CH2 4.29Å; A420-W424 HydrophobicContact CB-CZ2 3.98Å; A420-W424 PolarHBondContact O-N 2.93Å; Q421-W424 PolarHBondContact O-N 3.45Å; W424-T426 PolarHBondContact O-N 3.05Å; W424-F427 HydrophobicContact CB-CE2 4.33Å; W424-F427 HydrophobicContact CB-CZ 4.04Å; W424-F427 AromaticContact CD1-CZ 3.48Å; W424-F427 VanDerWaalsContact CD1-CZ 3.48Å; W424-F427 HydrophobicContact CG-CZ 4Å; W424-F427 PolarHBondContact O-N 2.89Å; W424-I428 PolarHBondContact O-N 3.46Å; W424-F431 HydrophobicContact CB-CB 4.42Å; W424-F431 HydrophobicContact CB-CD1 4.25Å; W424-F431 HydrophobicContact CB-CG 4.28Å; W424-F431 AromaticContact CE3-CD1 3.68Å; W424-F431 HydrophobicContact CE3-CD1 3.68Å; W424-F431 AromaticContact CE3-CE1 3.3Å; W424-F431 HydrophobicContact CE3-CE1 3.3Å; W424-F431 HydrophobicContact CE3-CE2 4.27Å; W424-F431 HydrophobicContact CE3-CG 4.37Å; W424-F431 AromaticContact CE3-CZ 3.61Å; W424-F431 HydrophobicContact CE3-CZ 3.61Å; W424-F431 HydrophobicContact CZ3-CD1 4.44Å; W424-F431 AromaticContact CZ3-CE1 3.63Å; W424-F431 HydrophobicContact CZ3-CE1 3.63Å; W424-F431 AromaticContact CZ3-CZ 3.72Å; W424-F431 HydrophobicContact CZ3-CZ 3.72Å; W424-F433 HydrophobicContact CE3-CZ 4.18Å; W424-F433 HydrophobicContact CH2-CE1 4.28Å; W424-F433 AromaticContact CH2-CZ 3.73Å; W424-F433 HydrophobicContact CH2-CZ 3.73Å; W424-F433 AromaticContact CZ3-CE1 3.68Å; W424-F433 HydrophobicContact CZ3-CE1 3.68Å; W424-F433 HydrophobicContact CZ3-CE2 4.11Å; W424-F433 AromaticContact CZ3-CZ 3.24Å; W424-F433 HydrophobicContact CZ3-CZ 3.24Å; W424-L618 HydrophobicContact CH2-CD2 4Å; W424-L618 HydrophobicContact CZ2-CD2 4.48Å; W424-F621 HydrophobicContact CH2-CB 3.43Å; W424-F621 VanDerWaalsContact CH2-CB 3.43Å; W424-F621 HydrophobicContact CH2-CG 4.37Å; W424-F621 HydrophobicContact CZ2-CB 3.81Å; W424-F621 HydrophobicContact CZ3-CB 4.06Å; W424-N622 HydrophobicContact CZ2-CB 4.11Å; W424-N622 PolarHBondContact NE1-OD1 2.79Å; W424-F625 AromaticContact CD2-CD2 3.81Å; W424-F625 HydrophobicContact CD2-CD2 3.81Å; W424-F625 AromaticContact CD2-CE2 3.88Å; W424-F625 HydrophobicContact CD2-CE2 3.88Å; W424-F625 HydrophobicContact CE3-CD2 4.06Å; W424-F625 AromaticContact CE3-CE2 3.63Å; W424-F625 HydrophobicContact CE3-CE2 3.63Å; W424-F625 HydrophobicContact CG-CD2 4.04Å; W424-F625 HydrophobicContact CG-CE2 4.42Å; W424-F625 HydrophobicContact CH2-CE2 4.47Å; W424-F625 AromaticContact CZ3-CE2 3.93Å; W424-F625 HydrophobicContact CZ3-CE2 3.93Å
425R95.7Very high95.9Very high80 Ų8045 Ų4530%0.30222%0.218SC..THydrogen-bonded Turntrans-55.4-20.9170.1-78.7173-178.4174.8-7.9114.5Q421 N422 Y423 F427 I428 F431 T432Q421-R425 WeakPolarHBondContact O-CG 3.26Å; Q421-R425 PolarHBondContact O-N 2.78Å; N422-R425 PolarHBondContact OD1-NH1 2.82Å; Y423-R425 VanDerWaalsContact C-N 3.26Å; Y423-R425 PolarHBondContact O-N 3.24Å; R425-F427 VanDerWaalsContact C-N 3.28Å; R425-F427 PolarHBondContact O-N 3.27Å; R425-I428 VanDerWaalsContact CA-O 3.3Å; R425-I428 WeakPolarHBondContact CA-O 3.37Å; R425-F431 HydrophobicContact CG-CB 4.14Å; R425-F431 PolarHBondContact NE-O 2.82Å; R425-F431 PolarHBondContact NH2-O 3.21Å; R425-T432 PolarHBondContact NH2-OG1 3.47Å
426T93.4Very high95.9Very high106 Ų10642 Ų4265%0.6520%0.202SC*.THydrogen-bonded Turntrans-71.7-20.7177.468.10000113.7Y423 W424Y423-T426 VanDerWaalsContact O-CB 3.32Å; Y423-T426 WeakPolarHBondContact O-CB 3.31Å; Y423-T426 VanDerWaalsContact O-CG2 3.31Å; Y423-T426 WeakPolarHBondContact O-CG2 3.44Å; Y423-T426 PolarHBondContact O-N 3.48Å; Y423-T426 PolarHBondContact O-OG1 3.41Å; W424-T426 PolarHBondContact O-N 3.05Å
427F90.7Very high95.9Very high55 Ų5541.4 Ų41.424%0.24120%0.196CC..THydrogen-bonded Turntrans-135.5-8.9179.658.4-100000114.3Y423 W424 R425 F625Y423-F427 HydrophobicContact CD1-CE1 4.26Å; Y423-F427 AromaticContact CE1-CE1 3.94Å; Y423-F427 HydrophobicContact CE1-CE1 3.94Å; Y423-F427 HydrophobicContact CE1-CZ 4.49Å; W424-F427 HydrophobicContact CB-CE2 4.33Å; W424-F427 HydrophobicContact CB-CZ 4.04Å; W424-F427 AromaticContact CD1-CZ 3.48Å; W424-F427 VanDerWaalsContact CD1-CZ 3.48Å; W424-F427 HydrophobicContact CG-CZ 4Å; W424-F427 PolarHBondContact O-N 2.89Å; R425-F427 VanDerWaalsContact C-N 3.28Å; R425-F427 PolarHBondContact O-N 3.27Å; F427-F625 HydrophobicContact CE2-CB 3.73Å; F427-F625 HydrophobicContact CE2-CD2 4.45Å; F427-F625 HydrophobicContact CE2-CG 4.39Å; F427-F625 HydrophobicContact CZ-CB 4.12Å
428I94Very high95.8Very high0 Ų041.3 Ų41.30%020%0.196CC..SBendtrans-122.695.3167.8-45.9-172.2000107.3V393 W424 R425 E430 F431 F625 L636V393-I428 HydrophobicContact CG1-CD1 4.38Å; V393-I428 HydrophobicContact CG1-CG2 4.41Å; W424-I428 PolarHBondContact O-N 3.46Å; R425-I428 VanDerWaalsContact CA-O 3.3Å; R425-I428 WeakPolarHBondContact CA-O 3.37Å; I428-E430 PolarHBondContact O-N 2.8Å; I428-F431 HydrophobicContact CB-CB 4.01Å; I428-F431 HydrophobicContact CB-CD2 4.5Å; I428-F431 HydrophobicContact CD1-CD2 4.31Å; I428-F431 HydrophobicContact CG2-CB 4.04Å; I428-F431 HydrophobicContact CG2-CD2 4.07Å; I428-F431 WeakPolarHBondContact O-CB 3.06Å; I428-F431 PolarHBondContact O-N 3.32Å; I428-F431 VanDerWaalsContact O-N 3.09Å; I428-F625 HydrophobicContact CD1-CB 4.48Å; I428-F625 HydrophobicContact CD1-CD1 4.02Å; I428-F625 HydrophobicContact CD1-CD2 3.67Å; I428-F625 HydrophobicContact CD1-CE1 4.07Å; I428-F625 HydrophobicContact CD1-CE2 3.74Å; I428-F625 HydrophobicContact CD1-CG 3.82Å; I428-F625 HydrophobicContact CD1-CZ 3.95Å; I428-L636 HydrophobicContact CD1-CB 3.84Å; I428-L636 HydrophobicContact CD1-CD1 3.82Å; I428-L636 HydrophobicContact CG1-CB 3.86Å; I428-L636 HydrophobicContact CG1-CD1 4.42Å; I428-L636 HydrophobicContact CG2-CB 4.35Å
429Q87.8Confident95.7Very high121 Ų12140.7 Ų40.757%0.56519%0.193SC*.THydrogen-bonded Turntrans-51.8131.6-174.5-179.4174.4-0.200111.8F431Q429-F431 PolarHBondContact O-N 3.24Å; Q429-F431 VanDerWaalsContact O-N 3.09Å
430E90.3Very high95.6Very high120 Ų12033.2 Ų33.256%0.56116%0.161SC*.THydrogen-bonded Turntrans54.922.3179.9-60.9-53.6133.300115.8I428 T432 T638I428-E430 PolarHBondContact O-N 2.8Å; E430-T432 PolarHBondContact O-N 2.9Å; E430-T432 VanDerWaalsContact O-N 3.12Å; E430-T432 PolarHBondContact O-OG1 3.08Å; E430-T638 WeakPolarHBondContact O-CG2 3.4Å
431F96.7Very high95.4Very high0 Ų034.7 Ų34.70%017%0.165CC..  trans-46.7124.4176.6-176.7-89000111.6V395 Q421 W424 R425 I428 Q429 F433 F625V395-F431 HydrophobicContact CB-CZ 4.28Å; V395-F431 HydrophobicContact CG2-CE2 4.12Å; V395-F431 HydrophobicContact CG2-CZ 3.97Å; Q421-F431 HydrophobicContact CB-CD1 4.45Å; Q421-F431 HydrophobicContact CG-CD1 4.01Å; Q421-F431 VanDerWaalsContact CG-O 3.25Å; Q421-F431 WeakPolarHBondContact CG-O 3.41Å; W424-F431 HydrophobicContact CB-CB 4.42Å; W424-F431 HydrophobicContact CB-CD1 4.25Å; W424-F431 HydrophobicContact CB-CG 4.28Å; W424-F431 AromaticContact CE3-CD1 3.68Å; W424-F431 HydrophobicContact CE3-CD1 3.68Å; W424-F431 AromaticContact CE3-CE1 3.3Å; W424-F431 HydrophobicContact CE3-CE1 3.3Å; W424-F431 HydrophobicContact CE3-CE2 4.27Å; W424-F431 HydrophobicContact CE3-CG 4.37Å; W424-F431 AromaticContact CE3-CZ 3.61Å; W424-F431 HydrophobicContact CE3-CZ 3.61Å; W424-F431 HydrophobicContact CZ3-CD1 4.44Å; W424-F431 AromaticContact CZ3-CE1 3.63Å; W424-F431 HydrophobicContact CZ3-CE1 3.63Å; W424-F431 AromaticContact CZ3-CZ 3.72Å; W424-F431 HydrophobicContact CZ3-CZ 3.72Å; R425-F431 HydrophobicContact CG-CB 4.14Å; R425-F431 PolarHBondContact NE-O 2.82Å; R425-F431 PolarHBondContact NH2-O 3.21Å; I428-F431 HydrophobicContact CB-CB 4.01Å; I428-F431 HydrophobicContact CB-CD2 4.5Å; I428-F431 HydrophobicContact CD1-CD2 4.31Å; I428-F431 HydrophobicContact CG2-CB 4.04Å; I428-F431 HydrophobicContact CG2-CD2 4.07Å; I428-F431 WeakPolarHBondContact O-CB 3.06Å; I428-F431 PolarHBondContact O-N 3.32Å; I428-F431 VanDerWaalsContact O-N 3.09Å; Q429-F431 PolarHBondContact O-N 3.24Å; Q429-F431 VanDerWaalsContact O-N 3.09Å; F431-F433 HydrophobicContact CE1-CD1 4.02Å; F431-F433 HydrophobicContact CE1-CD2 4.13Å; F431-F433 HydrophobicContact CE1-CE1 4Å; F431-F433 HydrophobicContact CE1-CE2 4.1Å; F431-F433 HydrophobicContact CE1-CG 4.11Å; F431-F433 HydrophobicContact CE1-CZ 4.05Å; F431-F433 HydrophobicContact CZ-CD1 4.06Å; F431-F433 HydrophobicContact CZ-CE1 4.03Å; F431-F433 HydrophobicContact CZ-CZ 4.47Å; F431-F625 HydrophobicContact CE2-CE2 4.09Å; F431-F625 HydrophobicContact CE2-CZ 4.13Å; F431-F625 HydrophobicContact CZ-CE2 4.42Å
432T97.4Very high95.2Very high7 Ų734.8 Ų34.84%0.04317%0.165CC..  trans-142.5124.3-176.6-59.60000109.1R425 E430 W464R425-T432 PolarHBondContact NH2-OG1 3.47Å; E430-T432 PolarHBondContact O-N 2.9Å; E430-T432 VanDerWaalsContact O-N 3.12Å; E430-T432 PolarHBondContact O-OG1 3.08Å; T432-W464 HydrophobicContact CG2-CB 4.32Å; T432-W464 HydrophobicContact CG2-CD2 3.81Å; T432-W464 HydrophobicContact CG2-CE3 4.42Å; T432-W464 HydrophobicContact CG2-CG 3.75Å
433F98.1Very high94.6Very high0 Ų034.8 Ų34.80%017%0.172CC..  trans-65.3140.8172.5-71-70.9000110.2V395 I397 M417 Q421 W424 F431 F463 W464 Y611 L618V395-F433 HydrophobicContact CB-CD1 4.08Å; V395-F433 HydrophobicContact CB-CE1 4.38Å; V395-F433 HydrophobicContact CG1-CD1 3.93Å; V395-F433 HydrophobicContact CG1-CE1 4.02Å; I397-F433 HydrophobicContact CD1-CB 3.9Å; I397-F433 HydrophobicContact CD1-CD1 3.61Å; I397-F433 HydrophobicContact CD1-CE1 4.21Å; I397-F433 HydrophobicContact CD1-CG 3.84Å; I397-F433 HydrophobicContact CG1-CD1 4.17Å; M417-F433 HydrophobicContact CB-CE2 4.4Å; Q421-F433 HydrophobicContact CB-CD2 4.05Å; Q421-F433 HydrophobicContact CB-CE2 3.98Å; Q421-F433 HydrophobicContact CG-CD2 4.43Å; W424-F433 HydrophobicContact CE3-CZ 4.18Å; W424-F433 HydrophobicContact CH2-CE1 4.28Å; W424-F433 AromaticContact CH2-CZ 3.73Å; W424-F433 HydrophobicContact CH2-CZ 3.73Å; W424-F433 AromaticContact CZ3-CE1 3.68Å; W424-F433 HydrophobicContact CZ3-CE1 3.68Å; W424-F433 HydrophobicContact CZ3-CE2 4.11Å; W424-F433 AromaticContact CZ3-CZ 3.24Å; W424-F433 HydrophobicContact CZ3-CZ 3.24Å; F431-F433 HydrophobicContact CE1-CD1 4.02Å; F431-F433 HydrophobicContact CE1-CD2 4.13Å; F431-F433 HydrophobicContact CE1-CE1 4Å; F431-F433 HydrophobicContact CE1-CE2 4.1Å; F431-F433 HydrophobicContact CE1-CG 4.11Å; F431-F433 HydrophobicContact CE1-CZ 4.05Å; F431-F433 HydrophobicContact CZ-CD1 4.06Å; F431-F433 HydrophobicContact CZ-CE1 4.03Å; F431-F433 HydrophobicContact CZ-CZ 4.47Å; F433-F463 HydrophobicContact CB-CD1 4.05Å; F433-F463 HydrophobicContact CD2-CE1 4.3Å; F433-W464 PolarHBondContact O-N 2.86Å; F433-Y611 AromaticContact CE1-CE1 3.8Å; F433-Y611 HydrophobicContact CE1-CE1 3.8Å; F433-Y611 AromaticContact CZ-CE1 3.94Å; F433-Y611 HydrophobicContact CZ-CE1 3.94Å; F433-L618 HydrophobicContact CZ-CD2 3.96Å
434N98Very high94.1Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-107.4117.2177.6-166.826.8000109.8L394 V395 D396 I397 W464 W465 F466 Q502L394-N434 HydrophobicContact CD1-CB 3.92Å; V395-N434 PolarHBondContact O-N 2.93Å; V395-N434 VanDerWaalsContact O-N 3.08Å; D396-N434 CarbonylContact C-O 3.57Å; D396-N434 WeakPolarHBondContact CA-O 3.44Å; D396-N434 WeakPolarHBondContact OD1-CB 3.12Å; D396-N434 PolarHBondContact OD1-ND2 3.33Å; I397-N434 PolarHBondContact N-O 3.36Å; N434-W464 CarbonylContact C-O 3.58Å; N434-W464 WeakPolarHBondContact CA-O 3.38Å; N434-W464 HydrophobicContact CB-CB 4.28Å; N434-W464 VanDerWaalsContact OD1-CB 3.3Å; N434-W464 WeakPolarHBondContact OD1-CB 3.49Å; N434-W465 PolarHBondContact OD1-N 2.91Å; N434-F466 HydrophobicContact CB-CD1 4.42Å; N434-F466 HydrophobicContact CB-CE1 4.43Å; N434-F466 VanDerWaalsContact CG-CD1 3.5Å; N434-F466 VanDerWaalsContact ND2-CD1 3.32Å; N434-F466 WeakPolarHBondContact ND2-CD1 3.07Å; N434-Q502 PolarHBondContact OD1-OE1 3.14Å
435M97.9Very high93.6Very high2 Ų238.3 Ų38.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-104.7113.9-166.1-70.8-167.761.100112.1V400 I456 F463 W464 W465 F466V400-M435 HydrophobicContact CB-CE 4.22Å; V400-M435 HydrophobicContact CG1-CE 3.73Å; V400-M435 HydrophobicContact CG2-CB 4.15Å; V400-M435 HydrophobicContact CG2-CE 3.41Å; V400-M435 VanDerWaalsContact CG2-CE 3.41Å; M435-I456 HydrophobicContact CE-CG2 3.74Å; M435-I456 HydrophobicContact SD-CG2 4.46Å; M435-F463 HydrophobicContact CG-CB 4.05Å; M435-F463 HydrophobicContact CG-CG 4.29Å; M435-F463 HydrophobicContact SD-CB 3.78Å; M435-F463 HydrophobicContact SD-CD1 4Å; M435-F463 HydrophobicContact SD-CD2 3.61Å; M435-F463 HydrophobicContact SD-CE1 4.46Å; M435-F463 HydrophobicContact SD-CE2 4.13Å; M435-F463 HydrophobicContact SD-CG 3.51Å; M435-F463 VanDerWaalsContact SD-CG 3.51Å; M435-W464 WeakPolarHBondContact CB-O 3.4Å; M435-W464 PolarHBondContact N-O 2.74Å; M435-W465 HydrophobicContact CB-CD2 3.8Å; M435-W465 HydrophobicContact CB-CE3 3.74Å; M435-W465 HydrophobicContact CB-CG 4.35Å; M435-W465 HydrophobicContact CB-CH2 4.38Å; M435-W465 HydrophobicContact CB-CZ2 4.42Å; M435-W465 HydrophobicContact CB-CZ3 4.06Å; M435-W465 HydrophobicContact CE-CH2 3.65Å; M435-W465 HydrophobicContact CE-CZ2 4.01Å; M435-W465 HydrophobicContact CE-CZ3 4.11Å; M435-W465 CarbonylContact O-C 3.55Å; M435-W465 VanDerWaalsContact O-CA 3.27Å; M435-W465 WeakPolarHBondContact O-CA 3.17Å; M435-W465 HydrophobicContact SD-CH2 4.13Å; M435-W465 HydrophobicContact SD-CZ2 3.87Å; M435-F466 PolarHBondContact O-N 3.09Å
436G97.6Very high93.2Very high0 Ų041.2 Ų41.20%020%0.202CC..EExtended strand (participates in β ladder)trans-89.5120.1177.600000111.8I397 D399 V400 F466 H468I397-G436 PolarHBondContact O-N 3.4Å; D399-G436 PolarHBondContact N-O 3.43Å; V400-G436 VanDerWaalsContact CB-O 3.26Å; V400-G436 WeakPolarHBondContact CB-O 3.46Å; V400-G436 VanDerWaalsContact CG2-O 3.28Å; V400-G436 WeakPolarHBondContact CG2-O 3.31Å; V400-G436 PolarHBondContact N-O 3.18Å; G436-F466 VanDerWaalsContact CA-CE1 3.49Å; G436-F466 VanDerWaalsContact CA-CE2 3.42Å; G436-F466 WeakPolarHBondContact CA-O 3.46Å; G436-H468 VanDerWaalsContact C-CD2 3.48Å
437F97.2Very high92.9Very high1 Ų145.1 Ų45.10%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-121.7152.5-173.176-81.8000114.8V400 F401 W465 F466 H468 N490 F493 A494 V501V400-F437 HydrophobicContact CB-CB 3.98Å; V400-F437 HydrophobicContact CG1-CB 4.38Å; F401-F437 HydrophobicContact CD2-CB 4.08Å; F401-F437 HydrophobicContact CE2-CB 4.09Å; F437-W465 HydrophobicContact CB-CE3 4.22Å; F437-W465 HydrophobicContact CB-CZ3 4.02Å; F437-W465 AromaticContact CD1-CE3 3.85Å; F437-W465 HydrophobicContact CD1-CE3 3.85Å; F437-W465 HydrophobicContact CD1-CZ3 4.42Å; F437-W465 HydrophobicContact CG-CE3 4.29Å; F437-W465 HydrophobicContact CG-CZ3 4.41Å; F437-F466 WeakPolarHBondContact CD1-O 3.46Å; F437-F466 WeakPolarHBondContact CE1-O 3.32Å; F437-F466 PolarHBondContact N-O 2.78Å; F437-H468 WeakPolarHBondContact O-CB 3.22Å; F437-H468 PolarHBondContact O-N 3.47Å; F437-H468 VanDerWaalsContact O-N 3.12Å; F437-N490 HydrophobicContact CE2-CB 4.38Å; F437-F493 HydrophobicContact CD2-CD1 4.16Å; F437-F493 HydrophobicContact CD2-CE1 4.21Å; F437-F493 AromaticContact CE2-CD1 3.85Å; F437-F493 HydrophobicContact CE2-CD1 3.85Å; F437-F493 HydrophobicContact CE2-CE1 4.33Å; F437-A494 HydrophobicContact CZ-CB 3.93Å; F437-V501 HydrophobicContact CE1-CG2 3.6Å; F437-V501 HydrophobicContact CZ-CG2 4Å
438C95.2Very high92.7Very high0 Ų045.5 Ų45.50%022%0.215CC..  trans-120.6105.3166.7-700000110V400 V402 A440 F441 H468 L469V400-C438 PolarHBondContact O-N 2.9Å; V402-C438 HydrophobicContact CG2-CB 3.98Å; C438-A440 VanDerWaalsContact C-N 3.28Å; C438-A440 PolarHBondContact O-N 3.5Å; C438-F441 HydrophobicContact CB-CD2 3.63Å; C438-F441 HydrophobicContact CB-CE2 3.93Å; C438-F441 PolarHBondContact O-N 3.41Å; C438-H468 WeakPolarHBondContact SG-CB 3.4Å; C438-L469 PolarHBondContact SG-O 2.93Å
439G95.5Very high92.5Very high0 Ų046.8 Ų46.80%022%0.222CC..THydrogen-bonded Turntrans-64-27.2-17200000114.8F441 F442 N490G439-F441 PolarHBondContact O-N 3.49Å; G439-F441 VanDerWaalsContact O-N 3.13Å; G439-F442 WeakPolarHBondContact O-CB 3.35Å; G439-F442 PolarHBondContact O-N 3.49Å; G439-F442 VanDerWaalsContact O-N 3.16Å; G439-N490 PolarHBondContact N-OD1 3.17Å
440A95.3Very high92.7Very high5 Ų544.8 Ų44.84%0.04121%0.211CC..Hα-helixtrans-61.9-27.4-176.200000114.4C438 W470 H471C438-A440 VanDerWaalsContact C-N 3.28Å; C438-A440 PolarHBondContact O-N 3.5Å; A440-W470 HydrophobicContact CB-CD2 3.78Å; A440-W470 VanDerWaalsContact CB-CE2 3.49Å; A440-W470 HydrophobicContact CB-CE3 4.43Å; A440-W470 HydrophobicContact CB-CG 4.03Å; A440-W470 HydrophobicContact CB-CH2 4.5Å; A440-W470 HydrophobicContact CB-CZ2 3.9Å; A440-W470 WeakPolarHBondContact CB-O 3.41Å; A440-W470 PolarHBondContact N-O 3.38Å; A440-H471 VanDerWaalsContact CB-CE1 3.45Å; A440-H471 WeakPolarHBondContact CB-CE1 3.49Å; A440-H471 WeakPolarHBondContact CB-ND1 3.46Å
441F93.9Very high92.8Very high47 Ų4741.5 Ų41.521%0.20620%0.197CC..Hα-helixtrans-83.7-18.7-176.5-63.3-81.9000112.7F401 V402 P403 C438 G439 S443 K444 S445 H472F401-F441 HydrophobicContact CB-CB 4.37Å; F401-F441 WeakPolarHBondContact O-CB 3.49Å; V402-F441 HydrophobicContact CG2-CD2 3.9Å; V402-F441 HydrophobicContact CG2-CE2 4.12Å; P403-F441 VanDerWaalsContact CD-CD1 3.42Å; P403-F441 HydrophobicContact CG-CD1 4.13Å; C438-F441 HydrophobicContact CB-CD2 3.63Å; C438-F441 HydrophobicContact CB-CE2 3.93Å; C438-F441 PolarHBondContact O-N 3.41Å; G439-F441 PolarHBondContact O-N 3.49Å; G439-F441 VanDerWaalsContact O-N 3.13Å; F441-S443 PolarHBondContact O-N 3.28Å; F441-K444 PolarHBondContact O-N 3.1Å; F441-S445 WeakPolarHBondContact O-CB 3.22Å; F441-S445 PolarHBondContact O-N 3.06Å; F441-H472 HydrophobicContact CE2-CB 3.71Å; F441-H472 HydrophobicContact CZ-CB 4.12Å
442F92.9Very high92.6Very high2 Ų241.9 Ų41.91%0.00920%0.199CC..Hα-helixtrans-59.7-47.8176.8-177.5-82000111.9F401 G439 K444 S445 Y453 N454 L457 F493 R497F401-F442 HydrophobicContact CB-CB 4.4Å; F401-F442 AromaticContact CD1-CD2 3.85Å; F401-F442 HydrophobicContact CD1-CD2 3.85Å; F401-F442 HydrophobicContact CD2-CB 4.4Å; F401-F442 HydrophobicContact CD2-CD2 4.49Å; F401-F442 AromaticContact CE1-CD2 3.8Å; F401-F442 HydrophobicContact CE1-CD2 3.8Å; F401-F442 HydrophobicContact CE1-CE2 4.29Å; F401-F442 HydrophobicContact CE2-CD2 4.46Å; F401-F442 HydrophobicContact CG-CB 4.24Å; F401-F442 HydrophobicContact CG-CD2 4.2Å; F401-F442 HydrophobicContact CZ-CD2 4.12Å; G439-F442 WeakPolarHBondContact O-CB 3.35Å; G439-F442 PolarHBondContact O-N 3.49Å; G439-F442 VanDerWaalsContact O-N 3.16Å; F442-K444 VanDerWaalsContact C-N 3.31Å; F442-K444 PolarHBondContact O-N 2.93Å; F442-S445 PolarHBondContact O-OG 3.05Å; F442-S445 VanDerWaalsContact O-OG 3.13Å; F442-Y453 HydrophobicContact CD2-CD2 4.29Å; F442-N454 WeakPolarHBondContact CZ-OD1 3.41Å; F442-L457 HydrophobicContact CD2-CD1 4.26Å; F442-L457 HydrophobicContact CE2-CD1 3.51Å; F442-L457 HydrophobicContact CE2-CG 4.45Å; F442-L457 HydrophobicContact CZ-CD1 3.94Å; F442-F493 HydrophobicContact CB-CE2 3.82Å; F442-F493 HydrophobicContact CB-CZ 3.63Å; F442-F493 HydrophobicContact CD1-CE2 4.15Å; F442-F493 HydrophobicContact CD1-CZ 4.35Å; F442-F493 HydrophobicContact CD2-CZ 4.14Å; F442-F493 AromaticContact CG-CE2 3.98Å; F442-F493 HydrophobicContact CG-CE2 3.98Å; F442-F493 AromaticContact CG-CZ 3.77Å; F442-F493 HydrophobicContact CG-CZ 3.77Å; F442-R497 VanDerWaalsContact CE1-NH2 3.28Å
443S85.3Confident92.5Very high81 Ų8142.1 Ų42.157%0.56620%0.2SC*.Hα-helixtrans-73.1-25.4-177.7-63.50000113F441F441-S443 PolarHBondContact O-N 3.28Å
444K86Confident92.4Very high158 Ų15845.4 Ų45.469%0.68722%0.217SC*.Hα-helixtrans-93-1-179-63.3-176.9179.9-176.60113.4F441 F442F441-K444 PolarHBondContact O-N 3.1Å; F442-K444 VanDerWaalsContact C-N 3.31Å; F442-K444 PolarHBondContact O-N 2.93Å
445S86.9Confident92.3Very high19 Ų1947.9 Ų47.913%0.13323%0.227CC..SBendtrans-69.4155.7-17576.60000111.9F441 F442 K450F441-S445 WeakPolarHBondContact O-CB 3.22Å; F441-S445 PolarHBondContact O-N 3.06Å; F442-S445 PolarHBondContact O-OG 3.05Å; F442-S445 VanDerWaalsContact O-OG 3.13Å; S445-K450 WeakPolarHBondContact OG-CB 3.21Å
446R88.1Confident92.3Very high141 Ų14147.9 Ų47.953%0.53223%0.227SC..  trans-63.4157.7172-60.1172.2177.4166-1109.4S448 D449 K450R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.21Å; R446-D449 WeakPolarHBondContact CB-OD2 3.27Å; R446-D449 PolarHBondContact O-N 2.95Å; R446-D449 VanDerWaalsContact O-N 3.15Å; R446-K450 WeakPolarHBondContact O-CB 3.49Å; R446-K450 PolarHBondContact O-N 2.94Å
447W86.5Confident92.3Very high188 Ų18848.4 Ų48.471%0.71223%0.23SC*.Hα-helixtrans-58.6-38.4178.8-177.172.7000112.4K450 I451W447-K450 PolarHBondContact O-N 2.85Å; W447-I451 HydrophobicContact CD2-CD1 4.14Å; W447-I451 HydrophobicContact CE3-CD1 4.14Å; W447-I451 HydrophobicContact CH2-CD1 3.92Å; W447-I451 HydrophobicContact CZ2-CD1 3.9Å; W447-I451 HydrophobicContact CZ3-CD1 4.03Å; W447-I451 WeakPolarHBondContact O-CG1 3.5Å; W447-I451 PolarHBondContact O-N 2.56Å
448S87Confident92.3Very high63 Ų6355 Ų5544%0.44126%0.26SS..Hα-helixtrans-57.7-49.4173.651.90000112.5R446 K450 I451R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.21Å; S448-K450 VanDerWaalsContact C-N 3.32Å; S448-K450 PolarHBondContact O-N 3.08Å; S448-I451 PolarHBondContact O-N 3.46Å
449D89.1Confident92.4Very high28 Ų2855.9 Ų55.915%0.1527%0.265CS..Hα-helixtrans-70.2-36.4-175.9-47.3-22.7000109.8R446 I451 V452 Y453R446-D449 WeakPolarHBondContact CB-OD2 3.27Å; R446-D449 PolarHBondContact O-N 2.95Å; R446-D449 VanDerWaalsContact O-N 3.15Å; D449-I451 VanDerWaalsContact C-N 3.28Å; D449-I451 PolarHBondContact O-N 3.45Å; D449-V452 PolarHBondContact O-N 2.95Å; D449-Y453 HydrophobicContact CB-CD2 4.46Å; D449-Y453 HydrophobicContact CB-CE1 4.45Å; D449-Y453 HydrophobicContact CB-CE2 4.01Å; D449-Y453 WeakPolarHBondContact O-CB 3.34Å; D449-Y453 WeakPolarHBondContact O-CD1 3.27Å; D449-Y453 PolarHBondContact O-N 2.86Å
450K91Very high92.5Very high79 Ų7958.6 Ų58.634%0.34328%0.275SS..Hα-helixtrans-61-35.5178.2-162.8167.7-174.5172.70112.5S445 R446 W447 S448 V452 N454S445-K450 WeakPolarHBondContact OG-CB 3.21Å; R446-K450 WeakPolarHBondContact O-CB 3.49Å; R446-K450 PolarHBondContact O-N 2.94Å; W447-K450 PolarHBondContact O-N 2.85Å; S448-K450 VanDerWaalsContact C-N 3.32Å; S448-K450 PolarHBondContact O-N 3.08Å; K450-V452 VanDerWaalsContact C-N 3.34Å; K450-N454 WeakPolarHBondContact O-CB 3.27Å; K450-N454 VanDerWaalsContact O-CG 3.28Å; K450-N454 PolarHBondContact O-N 3.06Å; K450-N454 PolarHBondContact O-ND2 2.85Å; K450-N454 VanDerWaalsContact O-ND2 3.1Å
451I93Very high92.6Very high50 Ų5063.9 Ų63.926%0.25630%0.299SS..Hα-helixtrans-60.6-47.3174.1-69165.8000109.9I411 W447 S448 D449 N454 Y455I411-I451 HydrophobicContact CD1-CG2 4.01Å; W447-I451 HydrophobicContact CD2-CD1 4.14Å; W447-I451 HydrophobicContact CE3-CD1 4.14Å; W447-I451 HydrophobicContact CH2-CD1 3.92Å; W447-I451 HydrophobicContact CZ2-CD1 3.9Å; W447-I451 HydrophobicContact CZ3-CD1 4.03Å; W447-I451 WeakPolarHBondContact O-CG1 3.5Å; W447-I451 PolarHBondContact O-N 2.56Å; S448-I451 PolarHBondContact O-N 3.46Å; D449-I451 VanDerWaalsContact C-N 3.28Å; D449-I451 PolarHBondContact O-N 3.45Å; I451-N454 PolarHBondContact O-N 3.3Å; I451-Y455 PolarHBondContact O-N 3.1Å
452V93.2Very high92.8Very high8 Ų866 Ų665%0.04831%0.308CS..Hα-helixtrans-69.4-41.1-179.7-174.40000111.2L409 I411 I414 D449 K450 N454 Y455 I456L409-V452 HydrophobicContact CB-CG1 4.44Å; L409-V452 HydrophobicContact CD2-CG1 3.7Å; L409-V452 HydrophobicContact CG-CG1 3.82Å; L409-V452 WeakPolarHBondContact O-CG2 3.42Å; I411-V452 HydrophobicContact CG1-CG2 4.43Å; I414-V452 HydrophobicContact CD1-CG1 4.39Å; I414-V452 HydrophobicContact CG1-CG1 3.84Å; D449-V452 PolarHBondContact O-N 2.95Å; K450-V452 VanDerWaalsContact C-N 3.34Å; V452-N454 PolarHBondContact O-N 3.14Å; V452-Y455 CarbonylContact O-C 3.54Å; V452-Y455 WeakPolarHBondContact O-CA 3.33Å; V452-Y455 VanDerWaalsContact O-CB 3.31Å; V452-Y455 WeakPolarHBondContact O-CB 3.43Å; V452-Y455 PolarHBondContact O-N 2.81Å; V452-I456 WeakPolarHBondContact O-CG1 3.23Å; V452-I456 PolarHBondContact O-N 2.93Å
453Y95Very high93Very high13 Ų1366.2 Ų66.25%0.05131%0.309CS..Hα-helixtrans-62.8-40.5176.4-63.7-12.8000112.4F401 L409 F442 D449 Y455 I456 L457F401-Y453 HydrophobicContact CB-CD2 4.36Å; F401-Y453 HydrophobicContact CB-CE2 4.07Å; F401-Y453 AromaticContact CD1-CD1 3.75Å; F401-Y453 HydrophobicContact CD1-CD1 3.75Å; F401-Y453 AromaticContact CD1-CD2 3.61Å; F401-Y453 HydrophobicContact CD1-CD2 3.61Å; F401-Y453 HydrophobicContact CD1-CE1 4.21Å; F401-Y453 HydrophobicContact CD1-CE2 4.05Å; F401-Y453 AromaticContact CD1-CG 3.44Å; F401-Y453 HydrophobicContact CD1-CG 3.44Å; F401-Y453 VanDerWaalsContact CD1-CG 3.44Å; F401-Y453 HydrophobicContact CE1-CD1 4.22Å; F401-Y453 HydrophobicContact CE1-CD2 4.41Å; F401-Y453 AromaticContact CE1-CG 3.89Å; F401-Y453 HydrophobicContact CE1-CG 3.89Å; F401-Y453 HydrophobicContact CG-CD2 4.41Å; F401-Y453 PolarHBondContact O-OH 2.92Å; L409-Y453 HydrophobicContact CD2-CE1 4.46Å; F442-Y453 HydrophobicContact CD2-CD2 4.29Å; D449-Y453 HydrophobicContact CB-CD2 4.46Å; D449-Y453 HydrophobicContact CB-CE1 4.45Å; D449-Y453 HydrophobicContact CB-CE2 4.01Å; D449-Y453 WeakPolarHBondContact O-CB 3.34Å; D449-Y453 WeakPolarHBondContact O-CD1 3.27Å; D449-Y453 PolarHBondContact O-N 2.86Å; Y453-Y455 VanDerWaalsContact C-N 3.28Å; Y453-Y455 PolarHBondContact O-N 3.5Å; Y453-I456 HydrophobicContact CD1-CD1 4.25Å; Y453-I456 PolarHBondContact O-N 3.03Å; Y453-L457 WeakPolarHBondContact O-CG 3.05Å; Y453-L457 PolarHBondContact O-N 3.09Å
454N95.8Very high93.6Very high69 Ų6965 Ų6537%0.36929%0.292SS..Hα-helixtrans-61.7-38.3171-79.1-37000111.6F442 K450 I451 V452 L457 Q458F442-N454 WeakPolarHBondContact CZ-OD1 3.41Å; K450-N454 WeakPolarHBondContact O-CB 3.27Å; K450-N454 VanDerWaalsContact O-CG 3.28Å; K450-N454 PolarHBondContact O-N 3.06Å; K450-N454 PolarHBondContact O-ND2 2.85Å; K450-N454 VanDerWaalsContact O-ND2 3.1Å; I451-N454 PolarHBondContact O-N 3.3Å; V452-N454 PolarHBondContact O-N 3.14Å; N454-L457 PolarHBondContact O-N 3.35Å; N454-Q458 WeakPolarHBondContact O-CG 3.37Å; N454-Q458 PolarHBondContact O-N 3.12Å
455Y96.7Very high94.2Very high52 Ų5257.5 Ų57.520%0.20426%0.259CS..Hα-helixtrans-66.7-38.4176.1-168.5-100.5000112.9I411 I414 N415 I451 V452 Y453 Q458 N459I411-Y455 HydrophobicContact CB-CD1 4.43Å; I411-Y455 HydrophobicContact CD1-CD2 4.41Å; I411-Y455 HydrophobicContact CD1-CG 4.42Å; I411-Y455 HydrophobicContact CG1-CD1 4.35Å; I411-Y455 HydrophobicContact CG1-CG 4.08Å; I411-Y455 HydrophobicContact CG2-CD1 3.84Å; I411-Y455 HydrophobicContact CG2-CD2 4.16Å; I411-Y455 HydrophobicContact CG2-CE1 3.69Å; I411-Y455 HydrophobicContact CG2-CE2 4.02Å; I411-Y455 HydrophobicContact CG2-CG 4.06Å; I414-Y455 HydrophobicContact CB-CD1 4.01Å; I414-Y455 HydrophobicContact CB-CE1 4.24Å; I414-Y455 HydrophobicContact CG2-CD1 3.91Å; I414-Y455 HydrophobicContact CG2-CE1 4.1Å; N415-Y455 PolarHBondContact ND2-OH 3.12Å; N415-Y455 PolarHBondContact OD1-OH 3.24Å; I451-Y455 PolarHBondContact O-N 3.1Å; V452-Y455 CarbonylContact O-C 3.54Å; V452-Y455 WeakPolarHBondContact O-CA 3.33Å; V452-Y455 VanDerWaalsContact O-CB 3.31Å; V452-Y455 WeakPolarHBondContact O-CB 3.43Å; V452-Y455 PolarHBondContact O-N 2.81Å; Y453-Y455 VanDerWaalsContact C-N 3.28Å; Y453-Y455 PolarHBondContact O-N 3.5Å; Y455-Q458 PolarHBondContact O-N 3.25Å; Y455-N459 PolarHBondContact O-N 2.87Å; Y455-N459 PolarHBondContact O-ND2 3.1Å
456I96.7Very high94.7Very high1 Ų156.6 Ų56.61%0.00525%0.253CS..Hα-helixtrans-59.1-48.8170.2-65.4171.3000109.6L409 I414 M435 V452 Y453 Q458 N459 R460 W465 L608L409-I456 HydrophobicContact CD2-CD1 4.3Å; I414-I456 HydrophobicContact CD1-CD1 3.76Å; I414-I456 HydrophobicContact CD1-CG1 3.64Å; I414-I456 HydrophobicContact CG1-CD1 4.33Å; I414-I456 HydrophobicContact CG1-CG1 3.78Å; I414-I456 HydrophobicContact CG2-CG1 4.17Å; M435-I456 HydrophobicContact CE-CG2 3.74Å; M435-I456 HydrophobicContact SD-CG2 4.46Å; V452-I456 WeakPolarHBondContact O-CG1 3.23Å; V452-I456 PolarHBondContact O-N 2.93Å; Y453-I456 HydrophobicContact CD1-CD1 4.25Å; Y453-I456 PolarHBondContact O-N 3.03Å; I456-Q458 VanDerWaalsContact C-N 3.33Å; I456-Q458 PolarHBondContact O-N 3.3Å; I456-N459 CarbonylContact O-C 3.34Å; I456-N459 VanDerWaalsContact O-C 3.26Å; I456-N459 WeakPolarHBondContact O-CA 3.49Å; I456-N459 PolarHBondContact O-N 3.24Å; I456-R460 PolarHBondContact O-N 2.7Å; I456-W465 HydrophobicContact CG2-CH2 3.67Å; I456-W465 HydrophobicContact CG2-CZ2 3.91Å; I456-L608 HydrophobicContact CD1-CD2 4.05Å
457L97.2Very high95.1Very high12 Ų1250.5 Ų50.56%0.06323%0.232CC..Hα-helixtrans-63-35.9179.3-71179.2000112.8F401 F442 Y453 N454 N459 R460 I499F401-L457 HydrophobicContact CZ-CD2 3.94Å; F401-L457 HydrophobicContact CZ-CG 4.17Å; F442-L457 HydrophobicContact CD2-CD1 4.26Å; F442-L457 HydrophobicContact CE2-CD1 3.51Å; F442-L457 HydrophobicContact CE2-CG 4.45Å; F442-L457 HydrophobicContact CZ-CD1 3.94Å; Y453-L457 WeakPolarHBondContact O-CG 3.05Å; Y453-L457 PolarHBondContact O-N 3.09Å; N454-L457 PolarHBondContact O-N 3.35Å; L457-N459 PolarHBondContact O-N 2.73Å; L457-R460 WeakPolarHBondContact O-CB 3.26Å; L457-R460 WeakPolarHBondContact O-CD 3.38Å; L457-R460 WeakPolarHBondContact O-CG 3.34Å; L457-R460 PolarHBondContact O-N 3.26Å; L457-R460 PolarHBondContact O-NH1 2.78Å; L457-I499 HydrophobicContact CD2-CD1 3.74Å; L457-I499 HydrophobicContact CD2-CG1 3.78Å
458Q97.6Very high95.6Very high138 Ų13841.6 Ų41.665%0.64520%0.199SC*.Hα-helixtrans-59.8-27.8171.6-74.9171.2-5.400112.3N454 Y455 I456N454-Q458 WeakPolarHBondContact O-CG 3.37Å; N454-Q458 PolarHBondContact O-N 3.12Å; Y455-Q458 PolarHBondContact O-N 3.25Å; I456-Q458 VanDerWaalsContact C-N 3.33Å; I456-Q458 PolarHBondContact O-N 3.3Å
459N97.9Very high96Very high20 Ų2038.7 Ų38.711%0.10718%0.178CC..THydrogen-bonded Turntrans-105.711.6179.4-70.8-85000113.5I418 Y455 I456 L457 H461 K462 F463I418-N459 HydrophobicContact CD1-CB 4.08Å; Y455-N459 PolarHBondContact O-N 2.87Å; Y455-N459 PolarHBondContact O-ND2 3.1Å; I456-N459 CarbonylContact O-C 3.34Å; I456-N459 VanDerWaalsContact O-C 3.26Å; I456-N459 WeakPolarHBondContact O-CA 3.49Å; I456-N459 PolarHBondContact O-N 3.24Å; L457-N459 PolarHBondContact O-N 2.73Å; N459-H461 PolarHBondContact O-N 3.37Å; N459-H461 VanDerWaalsContact O-N 3.1Å; N459-K462 HydrophobicContact CB-CD 4.22Å; N459-K462 WeakPolarHBondContact O-CB 3.28Å; N459-K462 PolarHBondContact O-N 3.04Å; N459-K462 WeakPolarHBondContact OD1-CE 3.22Å; N459-K462 PolarHBondContact OD1-NZ 3.21Å; N459-F463 HydrophobicContact CB-CE2 4.31Å
460R97.7Very high96.3Very high56 Ų5639.4 Ų39.421%0.21118%0.179CC..G310 helixtrans-52.5-36.9-171.664.8-161.9178.1-83.61.2114.7I456 L457 K462 F463 W465 R497 D498I456-R460 PolarHBondContact O-N 2.7Å; L457-R460 WeakPolarHBondContact O-CB 3.26Å; L457-R460 WeakPolarHBondContact O-CD 3.38Å; L457-R460 WeakPolarHBondContact O-CG 3.34Å; L457-R460 PolarHBondContact O-N 3.26Å; L457-R460 PolarHBondContact O-NH1 2.78Å; R460-K462 PolarHBondContact O-N 3.27Å; R460-F463 PolarHBondContact O-N 3.32Å; R460-W465 HydrophobicContact CB-CZ2 4.08Å; R460-W465 PolarHBondContact O-NE1 3.03Å; R460-R497 WeakPolarHBondContact CD-O 3.32Å; R460-R497 PolarHBondContact NE-O 3.39Å; R460-D498 WeakPolarHBondContact CD-O 3.41Å; R460-D498 IonicContact CZ-OD2 3.41Å; R460-D498 PolarHBondContact NE-O 2.87Å; R460-D498 IonicContact NE-OD2 2.91Å; R460-D498 PolarHBondContact NE-OD2 2.89Å; R460-D498 IonicContact NH2-OD2 2.75Å; R460-D498 PolarHBondContact NH2-OD2 3.11Å
461H97.5Very high96.4Very high117 Ų11740 Ų4054%0.54218%0.183SC..G310 helixtrans-71.8-4.9179.8-67.2-59.5000114.3N459 F463 D498N459-H461 PolarHBondContact O-N 3.37Å; N459-H461 VanDerWaalsContact O-N 3.1Å; H461-F463 VanDerWaalsContact C-N 3.34Å; H461-D498 IonicContact CE1-OD2 3.51Å; H461-D498 PolarHBondContact CE1-OD2 2.91Å; H461-D498 IonicContact NE2-OD2 3.84Å; H461-D498 PolarHBondContact NE2-OD2 2.91Å
462K97.3Very high96.5Very high92 Ų9239.8 Ų39.840%0.418%0.18SC..G310 helixtrans-86-7.9172-63.3-178.6178.3167.60113I418 Q421 N459 R460I418-K462 HydrophobicContact CD1-CD 3.98Å; I418-K462 HydrophobicContact CG1-CD 4.25Å; I418-K462 HydrophobicContact CG2-CD 4.12Å; Q421-K462 PolarHBondContact NE2-O 2.64Å; N459-K462 HydrophobicContact CB-CD 4.22Å; N459-K462 WeakPolarHBondContact O-CB 3.28Å; N459-K462 PolarHBondContact O-N 3.04Å; N459-K462 WeakPolarHBondContact OD1-CE 3.22Å; N459-K462 PolarHBondContact OD1-NZ 3.21Å; R460-K462 PolarHBondContact O-N 3.27Å
463F97.7Very high96.6Very high6 Ų640.2 Ų40.23%0.02619%0.187CC..SBendtrans-126.3156-174.3-53.3-71.3000110.5I418 F433 M435 N459 R460 H461I418-F463 HydrophobicContact CD1-CZ 4.36Å; I418-F463 HydrophobicContact CG1-CE1 4.4Å; I418-F463 HydrophobicContact CG1-CE2 4.45Å; I418-F463 HydrophobicContact CG1-CZ 3.69Å; F433-F463 HydrophobicContact CB-CD1 4.05Å; F433-F463 HydrophobicContact CD2-CE1 4.3Å; M435-F463 HydrophobicContact CG-CB 4.05Å; M435-F463 HydrophobicContact CG-CG 4.29Å; M435-F463 HydrophobicContact SD-CB 3.78Å; M435-F463 HydrophobicContact SD-CD1 4Å; M435-F463 HydrophobicContact SD-CD2 3.61Å; M435-F463 HydrophobicContact SD-CE1 4.46Å; M435-F463 HydrophobicContact SD-CE2 4.13Å; M435-F463 HydrophobicContact SD-CG 3.51Å; M435-F463 VanDerWaalsContact SD-CG 3.51Å; N459-F463 HydrophobicContact CB-CE2 4.31Å; R460-F463 PolarHBondContact O-N 3.32Å; H461-F463 VanDerWaalsContact C-N 3.34Å
464W97.8Very high96.6Very high55 Ų5543.1 Ų43.121%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-84157.2160.7-65.8-22.8000109.5L394 T432 F433 N434 M435 Q502 T638 P640L394-W464 HydrophobicContact CD1-CE3 4.25Å; L394-W464 HydrophobicContact CD1-CZ3 4.17Å; T432-W464 HydrophobicContact CG2-CB 4.32Å; T432-W464 HydrophobicContact CG2-CD2 3.81Å; T432-W464 HydrophobicContact CG2-CE3 4.42Å; T432-W464 HydrophobicContact CG2-CG 3.75Å; F433-W464 PolarHBondContact O-N 2.86Å; N434-W464 CarbonylContact C-O 3.58Å; N434-W464 WeakPolarHBondContact CA-O 3.38Å; N434-W464 HydrophobicContact CB-CB 4.28Å; N434-W464 VanDerWaalsContact OD1-CB 3.3Å; N434-W464 WeakPolarHBondContact OD1-CB 3.49Å; M435-W464 WeakPolarHBondContact CB-O 3.4Å; M435-W464 PolarHBondContact N-O 2.74Å; W464-Q502 HydrophobicContact CB-CG 4.29Å; W464-Q502 VanDerWaalsContact CD2-NE2 3.31Å; W464-Q502 VanDerWaalsContact CG-NE2 3.3Å; W464-T638 HydrophobicContact CH2-CG2 4.13Å; W464-P640 HydrophobicContact CH2-CB 4.4Å; W464-P640 VanDerWaalsContact CH2-CD 3.5Å; W464-P640 HydrophobicContact CH2-CG 3.72Å; W464-P640 HydrophobicContact CZ2-CG 3.72Å; W464-P640 HydrophobicContact CZ3-CB 4.48Å; W464-P640 HydrophobicContact CZ3-CG 4.27Å
465W98.2Very high96.7Very high0 Ų039.8 Ų39.80%018%0.18CC..EExtended strand (participates in β ladder)trans-136.3145.1-177.6-67.278.8000111.1V400 F401 N434 M435 F437 I456 R460 I499 V501 Q502V400-W465 HydrophobicContact CB-CZ3 4.47Å; V400-W465 HydrophobicContact CG1-CH2 4.12Å; V400-W465 HydrophobicContact CG1-CZ3 3.89Å; F401-W465 HydrophobicContact CE2-CZ3 4.37Å; F401-W465 HydrophobicContact CZ-CH2 4.31Å; F401-W465 HydrophobicContact CZ-CZ3 4.39Å; N434-W465 PolarHBondContact OD1-N 2.91Å; M435-W465 HydrophobicContact CB-CD2 3.8Å; M435-W465 HydrophobicContact CB-CE3 3.74Å; M435-W465 HydrophobicContact CB-CG 4.35Å; M435-W465 HydrophobicContact CB-CH2 4.38Å; M435-W465 HydrophobicContact CB-CZ2 4.42Å; M435-W465 HydrophobicContact CB-CZ3 4.06Å; M435-W465 HydrophobicContact CE-CH2 3.65Å; M435-W465 HydrophobicContact CE-CZ2 4.01Å; M435-W465 HydrophobicContact CE-CZ3 4.11Å; M435-W465 CarbonylContact O-C 3.55Å; M435-W465 VanDerWaalsContact O-CA 3.27Å; M435-W465 WeakPolarHBondContact O-CA 3.17Å; M435-W465 HydrophobicContact SD-CH2 4.13Å; M435-W465 HydrophobicContact SD-CZ2 3.87Å; F437-W465 HydrophobicContact CB-CE3 4.22Å; F437-W465 HydrophobicContact CB-CZ3 4.02Å; F437-W465 AromaticContact CD1-CE3 3.85Å; F437-W465 HydrophobicContact CD1-CE3 3.85Å; F437-W465 HydrophobicContact CD1-CZ3 4.42Å; F437-W465 HydrophobicContact CG-CE3 4.29Å; F437-W465 HydrophobicContact CG-CZ3 4.41Å; I456-W465 HydrophobicContact CG2-CH2 3.67Å; I456-W465 HydrophobicContact CG2-CZ2 3.91Å; R460-W465 HydrophobicContact CB-CZ2 4.08Å; R460-W465 PolarHBondContact O-NE1 3.03Å; W465-I499 HydrophobicContact CB-CG2 3.83Å; W465-I499 HydrophobicContact CD2-CG2 3.4Å; W465-I499 HydrophobicContact CE3-CG2 3.65Å; W465-I499 HydrophobicContact CG-CG2 3.47Å; W465-I499 VanDerWaalsContact CG-CG2 3.47Å; W465-I499 HydrophobicContact CZ3-CG2 4.34Å; W465-V501 HydrophobicContact CB-CG2 4.28Å; W465-Q502 PolarHBondContact O-N 2.9Å
466F97.6Very high96.6Very high0 Ų037.8 Ų37.80%017%0.172CC..EExtended strand (participates in β ladder)trans-136.6156.7169.266.1-86000110.4D396 D398 N434 M435 G436 F437 H468 Y505 V507D396-F466 HydrophobicContact CB-CE1 3.92Å; D396-F466 HydrophobicContact CB-CZ 4Å; D398-F466 VanDerWaalsContact OD1-CZ 3.26Å; D398-F466 WeakPolarHBondContact OD1-CZ 3.46Å; N434-F466 HydrophobicContact CB-CD1 4.42Å; N434-F466 HydrophobicContact CB-CE1 4.43Å; N434-F466 VanDerWaalsContact CG-CD1 3.5Å; N434-F466 VanDerWaalsContact ND2-CD1 3.32Å; N434-F466 WeakPolarHBondContact ND2-CD1 3.07Å; M435-F466 PolarHBondContact O-N 3.09Å; G436-F466 VanDerWaalsContact CA-CE1 3.49Å; G436-F466 VanDerWaalsContact CA-CE2 3.42Å; G436-F466 WeakPolarHBondContact CA-O 3.46Å; F437-F466 WeakPolarHBondContact CD1-O 3.46Å; F437-F466 WeakPolarHBondContact CE1-O 3.32Å; F437-F466 PolarHBondContact N-O 2.78Å; F466-H468 AromaticContact CE2-CE1 3.56Å; F466-H468 AromaticContact CE2-NE2 3.88Å; F466-Y505 HydrophobicContact CB-CD1 3.59Å; F466-Y505 HydrophobicContact CB-CE1 4.11Å; F466-Y505 HydrophobicContact CD1-CD1 4.31Å; F466-Y505 HydrophobicContact CD1-CE1 4.05Å; F466-Y505 HydrophobicContact CD2-CE1 4.29Å; F466-Y505 AromaticContact CG-CD1 3.92Å; F466-Y505 HydrophobicContact CG-CD1 3.92Å; F466-Y505 AromaticContact CG-CE1 3.9Å; F466-Y505 HydrophobicContact CG-CE1 3.9Å; F466-V507 HydrophobicContact CD2-CB 4.14Å; F466-V507 HydrophobicContact CD2-CG2 3.93Å; F466-V507 HydrophobicContact CE2-CB 3.81Å; F466-V507 HydrophobicContact CE2-CG2 3.74Å; F466-V507 HydrophobicContact CZ-CG2 4.48Å
467S96.6Very high96.6Very high14 Ų1443 Ų4310%0.09820%0.198CC..EExtended strand (participates in β ladder)trans-93.8135.5-177.4-174.70000111.2N490 S506 V507S467-N490 WeakPolarHBondContact OG-CB 3.48Å; S467-N490 PolarHBondContact OG-ND2 2.98Å; S467-N490 VanDerWaalsContact OG-ND2 3.08Å; S467-S506 PolarHBondContact O-OG 3.09Å; S467-V507 PolarHBondContact O-N 3.09Å
468H96.5Very high96.5Very high1 Ų144.4 Ų44.41%0.00521%0.205CC..  trans-86.2-159.2154.3-67.8-56.2000110.1D398 D399 G436 F437 C438 F466 N490 V507 P509D398-H468 VanDerWaalsContact CG-CE1 3.43Å; D398-H468 IonicContact OD1-CE1 3.59Å; D398-H468 PolarHBondContact OD1-CE1 3.09Å; D398-H468 IonicContact OD1-NE2 3.24Å; D398-H468 IonicContact OD2-CE1 2.75Å; D399-H468 PolarHBondContact N-NE2 3.16Å; G436-H468 VanDerWaalsContact C-CD2 3.48Å; F437-H468 WeakPolarHBondContact O-CB 3.22Å; F437-H468 PolarHBondContact O-N 3.47Å; F437-H468 VanDerWaalsContact O-N 3.12Å; C438-H468 WeakPolarHBondContact SG-CB 3.4Å; F466-H468 AromaticContact CE2-CE1 3.56Å; F466-H468 AromaticContact CE2-NE2 3.88Å; H468-N490 PolarHBondContact O-ND2 2.99Å; H468-V507 WeakPolarHBondContact CA-O 3.44Å; H468-V507 PolarHBondContact ND1-O 2.98Å; H468-P509 HydrophobicContact CB-CG 4.15Å
469L96.3Very high96.2Very high1 Ų142.1 Ų42.11%0.00520%0.197CC..  trans-90.6146.8167.5-66.4-172.6000111.2C438 H471 H472 P475 M478 I483 A486 I487 P509C438-L469 PolarHBondContact SG-O 2.93Å; L469-H471 VanDerWaalsContact C-N 3.34Å; L469-H471 PolarHBondContact O-N 3Å; L469-H471 VanDerWaalsContact O-N 3.1Å; L469-H472 PolarHBondContact O-N 3.4Å; L469-P475 HydrophobicContact CD1-CG 3.78Å; L469-M478 HydrophobicContact CD1-SD 4.21Å; L469-I483 HydrophobicContact CD2-CG2 4.43Å; L469-A486 HydrophobicContact CB-CB 4.29Å; L469-A486 HydrophobicContact CD2-CB 4.24Å; L469-I487 HydrophobicContact CD2-CD1 4.48Å; L469-I487 HydrophobicContact CD2-CG1 3.68Å; L469-P509 HydrophobicContact CB-CG 4.17Å
470W95.6Very high96.1Very high43 Ų4344.4 Ų44.416%0.16321%0.206CC..THydrogen-bonded Turntrans-39.7-52.8-174.5178.3-116.4000115.2A440 A486 R489 N490 F493A440-W470 HydrophobicContact CB-CD2 3.78Å; A440-W470 VanDerWaalsContact CB-CE2 3.49Å; A440-W470 HydrophobicContact CB-CE3 4.43Å; A440-W470 HydrophobicContact CB-CG 4.03Å; A440-W470 HydrophobicContact CB-CH2 4.5Å; A440-W470 HydrophobicContact CB-CZ2 3.9Å; A440-W470 WeakPolarHBondContact CB-O 3.41Å; A440-W470 PolarHBondContact N-O 3.38Å; W470-A486 HydrophobicContact CB-CB 4.14Å; W470-A486 VanDerWaalsContact CB-O 3.27Å; W470-A486 WeakPolarHBondContact CB-O 3.29Å; W470-A486 PolarHBondContact N-O 2.87Å; W470-R489 HydrophobicContact CB-CB 4.21Å; W470-R489 HydrophobicContact CD2-CB 3.67Å; W470-R489 HydrophobicContact CE3-CB 3.84Å; W470-R489 HydrophobicContact CG-CB 3.83Å; W470-N490 WeakPolarHBondContact CA-OD1 3.3Å; W470-N490 HydrophobicContact CE3-CB 4.48Å; W470-N490 PolarHBondContact N-ND2 3.04Å; W470-F493 HydrophobicContact CH2-CB 4.25Å; W470-F493 HydrophobicContact CH2-CD2 4.23Å; W470-F493 HydrophobicContact CH2-CG 4.44Å; W470-F493 HydrophobicContact CZ3-CB 3.57Å; W470-F493 HydrophobicContact CZ3-CD2 4.14Å; W470-F493 AromaticContact CZ3-CG 3.91Å; W470-F493 HydrophobicContact CZ3-CG 3.91Å
471H93.4Very high96.1Very high93 Ų9345.4 Ų45.443%0.43122%0.218SC..THydrogen-bonded Turntrans-98.716.6-178.3-76.3-51000114.7A440 L469 G473A440-H471 VanDerWaalsContact CB-CE1 3.45Å; A440-H471 WeakPolarHBondContact CB-CE1 3.49Å; A440-H471 WeakPolarHBondContact CB-ND1 3.46Å; L469-H471 VanDerWaalsContact C-N 3.34Å; L469-H471 PolarHBondContact O-N 3Å; L469-H471 VanDerWaalsContact O-N 3.1Å; H471-G473 PolarHBondContact O-N 2.97Å
472H94Very high96.1Very high44 Ų4442.3 Ų42.320%0.20421%0.209CC..  trans55.234.5-167.2-166.3-91.6000111.4D399 F441 L469 P509D399-H472 IonicContact OD1-CD2 2.92Å; D399-H472 PolarHBondContact OD1-CD2 3.22Å; D399-H472 IonicContact OD1-NE2 3.2Å; D399-H472 PolarHBondContact OD1-NE2 3.34Å; D399-H472 IonicContact OD2-NE2 2.64Å; F441-H472 HydrophobicContact CE2-CB 3.71Å; F441-H472 HydrophobicContact CZ-CB 4.12Å; L469-H472 PolarHBondContact O-N 3.4Å; H472-P509 HydrophobicContact CB-CG 4.45Å
473G94.8Very high96.1Very high18 Ų1837.9 Ų37.919%0.18619%0.19CC..  trans-70150.1-179.300000112.2H471 P475 P509H471-G473 PolarHBondContact O-N 2.97Å; G473-P475 WeakPolarHBondContact O-CD 3.34Å; G473-P509 WeakPolarHBondContact O-CB 3.44Å; G473-P509 VanDerWaalsContact O-CG 3.31Å; G473-P509 WeakPolarHBondContact O-CG 3.42Å
474R95.9Very high96.2Very high73 Ų7339.8 Ų39.828%0.27520%0.199SC..  trans-95114.1179-62.9-179.6-69.6-175.5-10.6109.2H476 M477 E674R474-H476 VanDerWaalsContact C-N 3.32Å; R474-H476 PolarHBondContact O-N 3.27Å; R474-M477 PolarHBondContact NE-SD 3.36Å; R474-M477 VanDerWaalsContact NE-SD 3.4Å; R474-M477 PolarHBondContact NH2-SD 3.49Å; R474-M477 PolarHBondContact O-N 3.22Å; R474-E674 IonicContact NH1-OE1 3.45Å
475P97.2Very high96.2Very high0 Ų041.4 Ų41.40%021%0.209CC..G310 helixtrans-52.4-40.7-172.8-31.836.7000115.6L469 G473 M477 M478 I483 A508 S512 Y518 L521L469-P475 HydrophobicContact CD1-CG 3.78Å; G473-P475 WeakPolarHBondContact O-CD 3.34Å; P475-M477 PolarHBondContact O-N 3.15Å; P475-M478 PolarHBondContact O-N 3.34Å; P475-M478 VanDerWaalsContact O-O 3.12Å; P475-I483 HydrophobicContact CB-CD1 4.01Å; P475-A508 HydrophobicContact CG-CB 3.89Å; P475-S512 WeakPolarHBondContact CD-O 3.11Å; P475-S512 WeakPolarHBondContact CG-O 3.48Å; P475-Y518 HydrophobicContact CB-CD1 4.27Å; P475-Y518 VanDerWaalsContact O-CE1 3.25Å; P475-Y518 WeakPolarHBondContact O-CE1 3.3Å; P475-L521 HydrophobicContact CB-CB 4.1Å; P475-L521 HydrophobicContact CB-CD1 4.03Å; P475-L521 HydrophobicContact CB-CD2 4.05Å; P475-L521 HydrophobicContact CB-CG 4.28Å; P475-L521 HydrophobicContact CG-CD1 3.73Å; P475-L521 HydrophobicContact CG-CD2 3.89Å; P475-L521 HydrophobicContact CG-CG 4.29Å
476H95.2Very high96.1Very high9 Ų941.9 Ų41.94%0.04221%0.213CC..G310 helixtrans-62.6-12.8179.375.5-64.3000114.8R474 S512 E674 P677R474-H476 VanDerWaalsContact C-N 3.32Å; R474-H476 PolarHBondContact O-N 3.27Å; H476-S512 PolarHBondContact CE1-OG 3.44Å; H476-S512 PolarHBondContact ND1-OG 2.84Å; H476-E674 PolarHBondContact NE2-O 3.29Å; H476-E674 VanDerWaalsContact NE2-O 3.1Å; H476-P677 HydrophobicContact CB-CG 4.1Å
477M95.5Very high96.1Very high111 Ų11142.1 Ų42.155%0.54721%0.214SC..G310 helixtrans-102.79.7175.4-60.9-175.6169.700112.6R474 P475R474-M477 PolarHBondContact NE-SD 3.36Å; R474-M477 VanDerWaalsContact NE-SD 3.4Å; R474-M477 PolarHBondContact NH2-SD 3.49Å; R474-M477 PolarHBondContact O-N 3.22Å; P475-M477 PolarHBondContact O-N 3.15Å
478M95.1Very high96.2Very high42 Ų4245.9 Ų45.921%0.20723%0.23CC..SBendtrans-128.4145.1-173.1-60.5174.367.300109.7L469 P475 C482 I483 A486 Y518L469-M478 HydrophobicContact CD1-SD 4.21Å; P475-M478 PolarHBondContact O-N 3.34Å; P475-M478 VanDerWaalsContact O-O 3.12Å; M478-C482 HydrophobicContact CB-CB 4.26Å; M478-C482 HydrophobicContact CE-CB 3.74Å; M478-C482 WeakPolarHBondContact CE-O 3.31Å; M478-I483 HydrophobicContact CB-CD1 4.31Å; M478-I483 HydrophobicContact CB-CG1 3.79Å; M478-I483 HydrophobicContact CE-CG1 4.42Å; M478-A486 HydrophobicContact CE-CB 4.24Å; M478-Y518 WeakPolarHBondContact O-CE1 3.04Å; M478-Y518 PolarHBondContact O-OH 2.83Å
479N93.2Very high96.2Very high90 Ų9052 Ų5248%0.48125%0.253SS..  trans-76.1165.3167.768.821.8000110.7T481 C482 I483N479-T481 VanDerWaalsContact C-N 3.33Å; N479-T481 PolarHBondContact O-N 2.88Å; N479-T481 PolarHBondContact OD1-N 2.82Å; N479-C482 PolarHBondContact O-N 3.38Å; N479-C482 VanDerWaalsContact OD1-CB 3.25Å; N479-C482 WeakPolarHBondContact OD1-CB 3.44Å; N479-C482 PolarHBondContact OD1-N 2.88Å; N479-C482 PolarHBondContact OD1-SG 2.8Å; N479-I483 WeakPolarHBondContact O-CG1 3.4Å; N479-I483 PolarHBondContact O-N 2.87Å; N479-I483 VanDerWaalsContact O-N 3.17Å
480K95.4Very high96.2Very high68 Ų6852 Ų5230%0.29625%0.253SS..Hα-helixtrans-49-49177.5-171.9176.7176.9177.50113.6C482 I483 Q484 D520 E523K480-C482 PolarHBondContact O-N 3.32Å; K480-I483 WeakPolarHBondContact O-CB 3.43Å; K480-I483 PolarHBondContact O-N 2.75Å; K480-I483 VanDerWaalsContact O-N 3.16Å; K480-Q484 WeakPolarHBondContact O-CG 3.36Å; K480-Q484 PolarHBondContact O-N 3.43Å; K480-D520 HydrophobicContact CB-CB 4.03Å; K480-D520 HydrophobicContact CG-CB 4.33Å; K480-E523 VanDerWaalsContact NZ-CG 3.29Å; K480-E523 IonicContact NZ-OE1 3.92Å
481T97.4Very high96.2Very high76 Ų7652.9 Ų52.947%0.46626%0.259SS..Hα-helixtrans-61.6-42.8-176.7-49.40000112.2N479 I483 Q484 Q485N479-T481 VanDerWaalsContact C-N 3.33Å; N479-T481 PolarHBondContact O-N 2.88Å; N479-T481 PolarHBondContact OD1-N 2.82Å; T481-I483 VanDerWaalsContact C-N 3.32Å; T481-I483 PolarHBondContact O-N 3.3Å; T481-Q484 PolarHBondContact O-N 2.86Å; T481-Q485 WeakPolarHBondContact O-CG 3.33Å; T481-Q485 PolarHBondContact O-N 3.08Å
482C97.5Very high96.3Very high52 Ų5251.6 Ų51.635%0.35126%0.257SS..Hα-helixtrans-64.8-36.6177.1-72.80000111.8M478 N479 K480 A486M478-C482 HydrophobicContact CB-CB 4.26Å; M478-C482 HydrophobicContact CE-CB 3.74Å; M478-C482 WeakPolarHBondContact CE-O 3.31Å; N479-C482 PolarHBondContact O-N 3.38Å; N479-C482 VanDerWaalsContact OD1-CB 3.25Å; N479-C482 WeakPolarHBondContact OD1-CB 3.44Å; N479-C482 PolarHBondContact OD1-N 2.88Å; N479-C482 PolarHBondContact OD1-SG 2.8Å; K480-C482 PolarHBondContact O-N 3.32Å; C482-A486 VanDerWaalsContact O-CB 3.27Å; C482-A486 WeakPolarHBondContact O-CB 3.11Å; C482-A486 PolarHBondContact O-N 2.95Å
483I97.9Very high96.5Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-65.5-47.9175.3-63.1167.9000109.9L469 P475 M478 N479 K480 T481 Q485 A486 I487 Y518 D520 L521 A524L469-I483 HydrophobicContact CD2-CG2 4.43Å; P475-I483 HydrophobicContact CB-CD1 4.01Å; M478-I483 HydrophobicContact CB-CD1 4.31Å; M478-I483 HydrophobicContact CB-CG1 3.79Å; M478-I483 HydrophobicContact CE-CG1 4.42Å; N479-I483 WeakPolarHBondContact O-CG1 3.4Å; N479-I483 PolarHBondContact O-N 2.87Å; N479-I483 VanDerWaalsContact O-N 3.17Å; K480-I483 WeakPolarHBondContact O-CB 3.43Å; K480-I483 PolarHBondContact O-N 2.75Å; K480-I483 VanDerWaalsContact O-N 3.16Å; T481-I483 VanDerWaalsContact C-N 3.32Å; T481-I483 PolarHBondContact O-N 3.3Å; I483-Q485 PolarHBondContact O-N 3Å; I483-A486 PolarHBondContact O-N 3.43Å; I483-A486 VanDerWaalsContact O-N 3.15Å; I483-I487 HydrophobicContact CG2-CD1 4.01Å; I483-I487 WeakPolarHBondContact O-CG1 3.37Å; I483-I487 PolarHBondContact O-N 3.1Å; I483-Y518 HydrophobicContact CD1-CD1 4.15Å; I483-Y518 HydrophobicContact CD1-CE1 3.77Å; I483-D520 HydrophobicContact CD1-CB 4.42Å; I483-L521 HydrophobicContact CG2-CD1 4.03Å; I483-A524 HydrophobicContact CB-CB 4.29Å; I483-A524 HydrophobicContact CG2-CB 3.65Å
484Q98.1Very high96.6Very high46 Ų4649.3 Ų49.322%0.21524%0.243CC..Hα-helixtrans-57.2-50.4178.2-69.9176.4-51.800111.4K480 T481 A486 I487 E488 A524 T527 V528K480-Q484 WeakPolarHBondContact O-CG 3.36Å; K480-Q484 PolarHBondContact O-N 3.43Å; T481-Q484 PolarHBondContact O-N 2.86Å; Q484-A486 VanDerWaalsContact C-N 3.28Å; Q484-A486 PolarHBondContact O-N 3.01Å; Q484-I487 WeakPolarHBondContact O-CB 3.37Å; Q484-I487 PolarHBondContact O-N 3.37Å; Q484-E488 WeakPolarHBondContact O-CG 3.45Å; Q484-E488 PolarHBondContact O-N 3.35Å; Q484-A524 HydrophobicContact CG-CB 3.64Å; Q484-T527 PolarHBondContact NE2-OG1 2.87Å; Q484-V528 HydrophobicContact CB-CG2 3.95Å; Q484-V528 HydrophobicContact CG-CG2 3.77Å
485Q97.9Very high96.6Very high88 Ų8852.8 Ų52.841%0.41126%0.263SS..Hα-helixtrans-60.6-35.6176.6-71.2176.2-3.200113T481 I483 I487 R489T481-Q485 WeakPolarHBondContact O-CG 3.33Å; T481-Q485 PolarHBondContact O-N 3.08Å; I483-Q485 PolarHBondContact O-N 3Å; Q485-I487 VanDerWaalsContact C-N 3.33Å; Q485-R489 VanDerWaalsContact O-CG 3.31Å; Q485-R489 WeakPolarHBondContact O-CG 3.41Å; Q485-R489 PolarHBondContact O-N 2.9Å; Q485-R489 VanDerWaalsContact O-N 3.08Å
486A97.7Very high96.6Very high11 Ų1159.5 Ų59.59%0.09129%0.294CS..Hα-helixtrans-70.7-28.8177.100000112.8L469 W470 M478 C482 I483 Q484L469-A486 HydrophobicContact CB-CB 4.29Å; L469-A486 HydrophobicContact CD2-CB 4.24Å; W470-A486 HydrophobicContact CB-CB 4.14Å; W470-A486 VanDerWaalsContact CB-O 3.27Å; W470-A486 WeakPolarHBondContact CB-O 3.29Å; W470-A486 PolarHBondContact N-O 2.87Å; M478-A486 HydrophobicContact CE-CB 4.24Å; C482-A486 VanDerWaalsContact O-CB 3.27Å; C482-A486 WeakPolarHBondContact O-CB 3.11Å; C482-A486 PolarHBondContact O-N 2.95Å; I483-A486 PolarHBondContact O-N 3.43Å; I483-A486 VanDerWaalsContact O-N 3.15Å; Q484-A486 VanDerWaalsContact C-N 3.28Å; Q484-A486 PolarHBondContact O-N 3.01Å
487I97.2Very high96.7Very high4 Ų462.7 Ų62.72%0.02131%0.306CS..Hα-helixtrans-72.8-50.9172.3-65.2164.8000109.5L469 I483 Q484 Q485 R489 N490 Q491 A524 V528L469-I487 HydrophobicContact CD2-CD1 4.48Å; L469-I487 HydrophobicContact CD2-CG1 3.68Å; I483-I487 HydrophobicContact CG2-CD1 4.01Å; I483-I487 WeakPolarHBondContact O-CG1 3.37Å; I483-I487 PolarHBondContact O-N 3.1Å; Q484-I487 WeakPolarHBondContact O-CB 3.37Å; Q484-I487 PolarHBondContact O-N 3.37Å; Q485-I487 VanDerWaalsContact C-N 3.33Å; I487-R489 PolarHBondContact O-N 3.31Å; I487-N490 WeakPolarHBondContact O-CB 3.27Å; I487-N490 PolarHBondContact O-N 3.12Å; I487-N490 VanDerWaalsContact O-N 3.08Å; I487-Q491 PolarHBondContact O-N 2.75Å; I487-A524 HydrophobicContact CD1-CB 3.91Å; I487-V528 HydrophobicContact CB-CG1 4.07Å; I487-V528 HydrophobicContact CG2-CB 4.17Å; I487-V528 HydrophobicContact CG2-CG1 3.63Å
488E97.6Very high96.8Very high93 Ų9361.4 Ų61.444%0.43530%0.301SS..Hα-helixtrans-55.8-46.4-178.7-70.5167.4-175.600112.2Q484 N490 Q491 V492 V528Q484-E488 WeakPolarHBondContact O-CG 3.45Å; Q484-E488 PolarHBondContact O-N 3.35Å; E488-N490 VanDerWaalsContact C-N 3.29Å; E488-N490 PolarHBondContact O-N 3.47Å; E488-Q491 WeakPolarHBondContact O-CB 3.34Å; E488-Q491 PolarHBondContact O-N 3.27Å; E488-Q491 VanDerWaalsContact O-N 3.16Å; E488-V492 WeakPolarHBondContact O-CG2 3.48Å; E488-V492 PolarHBondContact O-N 2.74Å; E488-V528 HydrophobicContact CG-CG1 3.58Å
489R97.1Very high96.9Very high130 Ų13059.9 Ų59.949%0.49129%0.294SS..Hα-helixtrans-62.6-35.5178.6-72.6177.8-177.3-176.62.3113.1W470 Q485 I487 F493W470-R489 HydrophobicContact CB-CB 4.21Å; W470-R489 HydrophobicContact CD2-CB 3.67Å; W470-R489 HydrophobicContact CE3-CB 3.84Å; W470-R489 HydrophobicContact CG-CB 3.83Å; Q485-R489 VanDerWaalsContact O-CG 3.31Å; Q485-R489 WeakPolarHBondContact O-CG 3.41Å; Q485-R489 PolarHBondContact O-N 2.9Å; Q485-R489 VanDerWaalsContact O-N 3.08Å; I487-R489 PolarHBondContact O-N 3.31Å; R489-F493 WeakPolarHBondContact O-CB 3.34Å; R489-F493 PolarHBondContact O-N 2.87Å
490N95.6Very high97Very high0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-71.1-36.7176.3-108.93.1000111.3F437 G439 S467 H468 W470 I487 E488 F493 A494F437-N490 HydrophobicContact CE2-CB 4.38Å; G439-N490 PolarHBondContact N-OD1 3.17Å; S467-N490 WeakPolarHBondContact OG-CB 3.48Å; S467-N490 PolarHBondContact OG-ND2 2.98Å; S467-N490 VanDerWaalsContact OG-ND2 3.08Å; H468-N490 PolarHBondContact O-ND2 2.99Å; W470-N490 WeakPolarHBondContact CA-OD1 3.3Å; W470-N490 HydrophobicContact CE3-CB 4.48Å; W470-N490 PolarHBondContact N-ND2 3.04Å; I487-N490 WeakPolarHBondContact O-CB 3.27Å; I487-N490 PolarHBondContact O-N 3.12Å; I487-N490 VanDerWaalsContact O-N 3.08Å; E488-N490 VanDerWaalsContact C-N 3.29Å; E488-N490 PolarHBondContact O-N 3.47Å; N490-F493 PolarHBondContact O-N 3.46Å; N490-A494 WeakPolarHBondContact O-CB 3.28Å; N490-A494 PolarHBondContact O-N 3.39Å
491Q95.7Very high97.1Very high62 Ų6256.9 Ų56.929%0.2929%0.285SS..Hα-helixtrans-62.7-50.2173.3-71.7173.5-45.300111.2I487 E488 F493 A494 E495 V528 S529I487-Q491 PolarHBondContact O-N 2.75Å; E488-Q491 WeakPolarHBondContact O-CB 3.34Å; E488-Q491 PolarHBondContact O-N 3.27Å; E488-Q491 VanDerWaalsContact O-N 3.16Å; Q491-F493 VanDerWaalsContact C-N 3.3Å; Q491-F493 PolarHBondContact O-N 3.15Å; Q491-A494 WeakPolarHBondContact O-CB 3.29Å; Q491-A494 PolarHBondContact O-N 2.86Å; Q491-E495 WeakPolarHBondContact O-CG 3.39Å; Q491-E495 PolarHBondContact O-N 2.65Å; Q491-V528 PolarHBondContact NE2-O 2.78Å; Q491-S529 VanDerWaalsContact NE2-CB 3.33Å
492V97.1Very high96.9Very high66 Ų6654.8 Ų54.840%0.427%0.27SS..Hα-helixtrans-56.7-45.1176.7172.60000111.1E488 A494 E495 E496E488-V492 WeakPolarHBondContact O-CG2 3.48Å; E488-V492 PolarHBondContact O-N 2.74Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 2.91Å; V492-E495 PolarHBondContact O-N 3.38Å; V492-E496 HydrophobicContact CG1-CG 4.24Å; V492-E496 WeakPolarHBondContact O-CB 3.36Å; V492-E496 WeakPolarHBondContact O-CG 3.28Å; V492-E496 PolarHBondContact O-N 2.95Å
493F97.1Very high96.4Very high7 Ų759.2 Ų59.23%0.03129%0.289CS..Hα-helixtrans-62.4-38.5176.8174-90.5000113.2F401 F437 F442 W470 R489 N490 Q491 R497 I499F401-F493 HydrophobicContact CD2-CE1 4.35Å; F401-F493 HydrophobicContact CD2-CZ 4.46Å; F401-F493 AromaticContact CE2-CE1 3.95Å; F401-F493 HydrophobicContact CE2-CE1 3.95Å; F401-F493 HydrophobicContact CE2-CZ 4.21Å; F437-F493 HydrophobicContact CD2-CD1 4.16Å; F437-F493 HydrophobicContact CD2-CE1 4.21Å; F437-F493 AromaticContact CE2-CD1 3.85Å; F437-F493 HydrophobicContact CE2-CD1 3.85Å; F437-F493 HydrophobicContact CE2-CE1 4.33Å; F442-F493 HydrophobicContact CB-CE2 3.82Å; F442-F493 HydrophobicContact CB-CZ 3.63Å; F442-F493 HydrophobicContact CD1-CE2 4.15Å; F442-F493 HydrophobicContact CD1-CZ 4.35Å; F442-F493 HydrophobicContact CD2-CZ 4.14Å; F442-F493 AromaticContact CG-CE2 3.98Å; F442-F493 HydrophobicContact CG-CE2 3.98Å; F442-F493 AromaticContact CG-CZ 3.77Å; F442-F493 HydrophobicContact CG-CZ 3.77Å; W470-F493 HydrophobicContact CH2-CB 4.25Å; W470-F493 HydrophobicContact CH2-CD2 4.23Å; W470-F493 HydrophobicContact CH2-CG 4.44Å; W470-F493 HydrophobicContact CZ3-CB 3.57Å; W470-F493 HydrophobicContact CZ3-CD2 4.14Å; W470-F493 AromaticContact CZ3-CG 3.91Å; W470-F493 HydrophobicContact CZ3-CG 3.91Å; R489-F493 WeakPolarHBondContact O-CB 3.34Å; R489-F493 PolarHBondContact O-N 2.87Å; N490-F493 PolarHBondContact O-N 3.46Å; Q491-F493 VanDerWaalsContact C-N 3.3Å; Q491-F493 PolarHBondContact O-N 3.15Å; F493-R497 HydrophobicContact CE2-CG 4.36Å; F493-R497 HydrophobicContact CZ-CG 4.39Å; F493-R497 WeakPolarHBondContact O-CB 3.45Å; F493-R497 WeakPolarHBondContact O-CG 3.34Å; F493-R497 PolarHBondContact O-N 2.81Å; F493-I499 HydrophobicContact CD1-CD1 4.2Å; F493-I499 HydrophobicContact CE1-CD1 3.79Å
494A97.1Very high96.2Very high7 Ų759.5 Ų59.56%0.05829%0.291CS..Hα-helixtrans-65.7-42.8175.600000111.6F437 N490 Q491 V492 R497 D498 I499 V501F437-A494 HydrophobicContact CZ-CB 3.93Å; N490-A494 WeakPolarHBondContact O-CB 3.28Å; N490-A494 PolarHBondContact O-N 3.39Å; Q491-A494 WeakPolarHBondContact O-CB 3.29Å; Q491-A494 PolarHBondContact O-N 2.86Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 2.91Å; A494-R497 CarbonylContact O-C 3.58Å; A494-R497 PolarHBondContact O-N 3.24Å; A494-D498 PolarHBondContact O-N 3.41Å; A494-I499 HydrophobicContact CB-CB 4.07Å; A494-I499 PolarHBondContact O-N 3.23Å; A494-V501 HydrophobicContact CB-CG2 3.66Å
495E96.6Very high96.1Very high146 Ų14657.6 Ų57.668%0.68228%0.282SS*.Hα-helixtrans-63.2-50176.9-70.8170.4-173.100111.8Q491 V492 R497 D498Q491-E495 WeakPolarHBondContact O-CG 3.39Å; Q491-E495 PolarHBondContact O-N 2.65Å; V492-E495 PolarHBondContact O-N 3.38Å; E495-R497 PolarHBondContact O-N 2.94Å; E495-D498 PolarHBondContact O-N 3.22Å; E495-D498 VanDerWaalsContact O-N 3.11Å
496E97.3Very high96.1Very high141 Ų14153.7 Ų53.766%0.65927%0.265SS*.Hα-helixtrans-58-24.1177.9-75.8179.4177.100113.3V492V492-E496 HydrophobicContact CG1-CG 4.24Å; V492-E496 WeakPolarHBondContact O-CB 3.36Å; V492-E496 WeakPolarHBondContact O-CG 3.28Å; V492-E496 PolarHBondContact O-N 2.95Å
497R96.3Very high96.1Very high76 Ų7653.1 Ų53.129%0.28726%0.26SS..THydrogen-bonded Turntrans-112.65.9-177.2-61.5-60.4-175.369.17.8113.8F442 R460 F493 A494 E495 I499F442-R497 VanDerWaalsContact CE1-NH2 3.28Å; R460-R497 WeakPolarHBondContact CD-O 3.32Å; R460-R497 PolarHBondContact NE-O 3.39Å; F493-R497 HydrophobicContact CE2-CG 4.36Å; F493-R497 HydrophobicContact CZ-CG 4.39Å; F493-R497 WeakPolarHBondContact O-CB 3.45Å; F493-R497 WeakPolarHBondContact O-CG 3.34Å; F493-R497 PolarHBondContact O-N 2.81Å; A494-R497 CarbonylContact O-C 3.58Å; A494-R497 PolarHBondContact O-N 3.24Å; E495-R497 PolarHBondContact O-N 2.94Å; R497-I499 HydrophobicContact CB-CD1 4.23Å; R497-I499 HydrophobicContact CB-CG1 3.97Å; R497-I499 PolarHBondContact O-N 2.9Å
498D96.9Very high96.1Very high84 Ų8453 Ų5345%0.44926%0.26SS..THydrogen-bonded Turntrans5240.9-179.2-179.650.2000112.3R460 H461 A494 E495 P500R460-D498 WeakPolarHBondContact CD-O 3.41Å; R460-D498 IonicContact CZ-OD2 3.41Å; R460-D498 PolarHBondContact NE-O 2.87Å; R460-D498 IonicContact NE-OD2 2.91Å; R460-D498 PolarHBondContact NE-OD2 2.89Å; R460-D498 IonicContact NH2-OD2 2.75Å; R460-D498 PolarHBondContact NH2-OD2 3.11Å; H461-D498 IonicContact CE1-OD2 3.51Å; H461-D498 PolarHBondContact CE1-OD2 2.91Å; H461-D498 IonicContact NE2-OD2 3.84Å; H461-D498 PolarHBondContact NE2-OD2 2.91Å; A494-D498 PolarHBondContact O-N 3.41Å; E495-D498 PolarHBondContact O-N 3.22Å; E495-D498 VanDerWaalsContact O-N 3.11Å; D498-P500 WeakPolarHBondContact O-CD 3.16Å
499I97.8Very high95.9Very high11 Ų1148.6 Ų48.66%0.05624%0.239CC..  trans-78.4121.5176-58.8178000108.2L457 W465 F493 A494 R497 V501L457-I499 HydrophobicContact CD2-CD1 3.74Å; L457-I499 HydrophobicContact CD2-CG1 3.78Å; W465-I499 HydrophobicContact CB-CG2 3.83Å; W465-I499 HydrophobicContact CD2-CG2 3.4Å; W465-I499 HydrophobicContact CE3-CG2 3.65Å; W465-I499 HydrophobicContact CG-CG2 3.47Å; W465-I499 VanDerWaalsContact CG-CG2 3.47Å; W465-I499 HydrophobicContact CZ3-CG2 4.34Å; F493-I499 HydrophobicContact CD1-CD1 4.2Å; F493-I499 HydrophobicContact CE1-CD1 3.79Å; A494-I499 HydrophobicContact CB-CB 4.07Å; A494-I499 PolarHBondContact O-N 3.23Å; R497-I499 HydrophobicContact CB-CD1 4.23Å; R497-I499 HydrophobicContact CB-CG1 3.97Å; R497-I499 PolarHBondContact O-N 2.9Å; I499-V501 VanDerWaalsContact C-N 3.25Å; I499-V501 HydrophobicContact CB-CG2 4.33Å; I499-V501 HydrophobicContact CG2-CG2 3.86Å; I499-V501 PolarHBondContact O-N 3.49Å
500P96.5Very high95.7Very high48 Ų4848.3 Ų48.331%0.31224%0.238SC..  trans-78.672.3-177.433-35.8000111.3D498D498-P500 WeakPolarHBondContact O-CD 3.16Å
501V96.2Very high95.5Very high47 Ų4748.4 Ų48.429%0.28524%0.238SC..EExtended strand (participates in β ladder)trans-69.3129.9178.8-174.90000110.3F437 W465 A494 I499 I503F437-V501 HydrophobicContact CE1-CG2 3.6Å; F437-V501 HydrophobicContact CZ-CG2 4Å; W465-V501 HydrophobicContact CB-CG2 4.28Å; A494-V501 HydrophobicContact CB-CG2 3.66Å; I499-V501 VanDerWaalsContact C-N 3.25Å; I499-V501 HydrophobicContact CB-CG2 4.33Å; I499-V501 HydrophobicContact CG2-CG2 3.86Å; I499-V501 PolarHBondContact O-N 3.49Å; V501-I503 PolarHBondContact O-N 2.89Å
502Q93.4Very high95.6Very high32 Ų3245.4 Ų45.415%0.1522%0.224CC..EExtended strand (participates in β ladder)trans-67.3121.5177-66.7-178.8-46.500110.6N434 W464 W465 G504 P641N434-Q502 PolarHBondContact OD1-OE1 3.14Å; W464-Q502 HydrophobicContact CB-CG 4.29Å; W464-Q502 VanDerWaalsContact CD2-NE2 3.31Å; W464-Q502 VanDerWaalsContact CG-NE2 3.3Å; W465-Q502 PolarHBondContact O-N 2.9Å; Q502-G504 PolarHBondContact O-N 2.9Å; Q502-P641 VanDerWaalsContact OE1-CG 3.27Å
503I87.1Confident95.5Very high145 Ų14542.3 Ų42.374%0.74421%0.205SC*.EExtended strand (participates in β ladder)trans-65.4133.5176.2-57.8171.9000108.9V501V501-I503 PolarHBondContact O-N 2.89Å
504G93.2Very high95.5Very high5 Ų542 Ų425%0.05220%0.204CC..EExtended strand (participates in β ladder)trans93.4-12.1174.100000115.6Q502 V531 N532 V533Q502-G504 PolarHBondContact O-N 2.9Å; G504-V531 WeakPolarHBondContact O-CA 3.48Å; G504-N532 WeakPolarHBondContact CA-OD1 3.31Å; G504-N532 PolarHBondContact O-N 3.29Å; G504-N532 PolarHBondContact O-OD1 2.89Å; G504-N532 VanDerWaalsContact O-OD1 3.09Å; G504-V533 PolarHBondContact O-N 2.96Å; G504-V533 VanDerWaalsContact O-O 3.14Å
505Y97.6Very high95.4Very high6 Ų641.9 Ų41.92%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-116.2127.2179.9-171.8-118.3000113D396 F466 V507 V533 S535 P641D396-Y505 PolarHBondContact OD2-OH 3.05Å; F466-Y505 HydrophobicContact CB-CD1 3.59Å; F466-Y505 HydrophobicContact CB-CE1 4.11Å; F466-Y505 HydrophobicContact CD1-CD1 4.31Å; F466-Y505 HydrophobicContact CD1-CE1 4.05Å; F466-Y505 HydrophobicContact CD2-CE1 4.29Å; F466-Y505 AromaticContact CG-CD1 3.92Å; F466-Y505 HydrophobicContact CG-CD1 3.92Å; F466-Y505 AromaticContact CG-CE1 3.9Å; F466-Y505 HydrophobicContact CG-CE1 3.9Å; Y505-V507 HydrophobicContact CE1-CG2 3.95Å; Y505-V507 HydrophobicContact CE2-CG2 4.2Å; Y505-V507 WeakPolarHBondContact OH-CG2 3.24Å; Y505-V533 WeakPolarHBondContact CA-O 3.49Å; Y505-V533 HydrophobicContact CD2-CB 4.02Å; Y505-V533 HydrophobicContact CD2-CG1 3.76Å; Y505-V533 WeakPolarHBondContact CD2-O 3.39Å; Y505-V533 HydrophobicContact CE2-CG1 4.11Å; Y505-S535 WeakPolarHBondContact OH-CB 3.46Å; Y505-S535 PolarHBondContact OH-OG 3.3Å; Y505-P641 HydrophobicContact CD1-CB 3.75Å; Y505-P641 HydrophobicContact CD1-CG 3.42Å; Y505-P641 VanDerWaalsContact CD1-CG 3.42Å; Y505-P641 HydrophobicContact CD2-CB 3.56Å; Y505-P641 HydrophobicContact CD2-CG 4.2Å; Y505-P641 HydrophobicContact CE1-CB 4.13Å; Y505-P641 HydrophobicContact CE1-CG 3.77Å; Y505-P641 HydrophobicContact CE2-CB 3.95Å; Y505-P641 HydrophobicContact CE2-CG 4.49Å; Y505-P641 HydrophobicContact CG-CB 3.45Å; Y505-P641 VanDerWaalsContact CG-CB 3.45Å; Y505-P641 HydrophobicContact CG-CG 3.67Å
506S97.5Very high95.3Very high6 Ų635.4 Ų35.44%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-149.1150.1174.1179.80000109.6S467 W525 V533 T534S467-S506 PolarHBondContact O-OG 3.09Å; S506-W525 PolarHBondContact OG-NE1 3.19Å; S506-W525 VanDerWaalsContact OG-NE1 3.17Å; S506-V533 PolarHBondContact N-O 3.3Å; S506-T534 WeakPolarHBondContact O-CB 3.39Å; S506-T534 PolarHBondContact O-OG1 3.06Å
507V97.2Very high95.2Very high0 Ų029.2 Ų29.20%015%0.145CC..  trans-127.6127.8176.7-174.90000108.8F466 S467 H468 Y505 H511F466-V507 HydrophobicContact CD2-CB 4.14Å; F466-V507 HydrophobicContact CD2-CG2 3.93Å; F466-V507 HydrophobicContact CE2-CB 3.81Å; F466-V507 HydrophobicContact CE2-CG2 3.74Å; F466-V507 HydrophobicContact CZ-CG2 4.48Å; S467-V507 PolarHBondContact O-N 3.09Å; H468-V507 WeakPolarHBondContact CA-O 3.44Å; H468-V507 PolarHBondContact ND1-O 2.98Å; Y505-V507 HydrophobicContact CE1-CG2 3.95Å; Y505-V507 HydrophobicContact CE2-CG2 4.2Å; Y505-V507 WeakPolarHBondContact OH-CG2 3.24Å; V507-H511 WeakPolarHBondContact CG1-ND1 3.46Å
508A96.7Very high95.2Very high1 Ų126.8 Ų26.81%0.00814%0.136CC..  trans-71.6142.217700000111.1P475 R510 H511 S512 V514 L521 W525P475-A508 HydrophobicContact CG-CB 3.89Å; A508-R510 PolarHBondContact O-N 2.89Å; A508-H511 VanDerWaalsContact O-CA 3.27Å; A508-H511 WeakPolarHBondContact O-CA 3.28Å; A508-H511 PolarHBondContact O-N 2.91Å; A508-S512 VanDerWaalsContact CB-O 3.29Å; A508-S512 WeakPolarHBondContact CB-O 3.29Å; A508-V514 HydrophobicContact CB-CG2 4.03Å; A508-L521 HydrophobicContact CB-CD2 3.98Å; A508-W525 HydrophobicContact CB-CH2 4.08Å; A508-W525 HydrophobicContact CB-CZ2 3.97Å
509P95Very high95.2Very high0 Ų024.9 Ų24.90%013%0.128CC..G310 helixtrans-47.8132.3170.5-3440.4000113.2H468 L469 H472 G473 H511 S512H468-P509 HydrophobicContact CB-CG 4.15Å; L469-P509 HydrophobicContact CB-CG 4.17Å; H472-P509 HydrophobicContact CB-CG 4.45Å; G473-P509 WeakPolarHBondContact O-CB 3.44Å; G473-P509 VanDerWaalsContact O-CG 3.31Å; G473-P509 WeakPolarHBondContact O-CG 3.42Å; P509-H511 PolarHBondContact O-N 2.7Å; P509-S512 WeakPolarHBondContact O-CB 3.17Å; P509-S512 PolarHBondContact O-N 2.92Å
510R91Very high95.1Very high125 Ų12527 Ų2747%0.47214%0.139SC..G310 helixtrans54.215.5-171.9-59.2-170.1174.8-172.4-2.9115.1A508 S512 H538 E674A508-R510 PolarHBondContact O-N 2.89Å; R510-S512 PolarHBondContact O-N 3Å; R510-H538 PolarHBondContact O-NE2 2.98Å; R510-E674 IonicContact NH1-OE1 3.2Å; R510-E674 PolarHBondContact NH1-OE1 3Å
511H93.4Very high95.1Very high1 Ų124.7 Ų24.71%0.00513%0.125CC..G310 helixtrans56.322.9-168.7-50.8-84.9000114.1V507 A508 P509 G513 V514 S535 R561V507-H511 WeakPolarHBondContact CG1-ND1 3.46Å; A508-H511 VanDerWaalsContact O-CA 3.27Å; A508-H511 WeakPolarHBondContact O-CA 3.28Å; A508-H511 PolarHBondContact O-N 2.91Å; P509-H511 PolarHBondContact O-N 2.7Å; H511-G513 PolarHBondContact O-N 3.25Å; H511-V514 WeakPolarHBondContact O-CB 3.48Å; H511-V514 PolarHBondContact O-N 2.91Å; H511-S535 PolarHBondContact ND1-O 3.25Å; H511-R561 WeakPolarHBondContact CE1-CD 3.49Å; H511-R561 PolarHBondContact CE1-NH1 3.01Å; H511-R561 VanDerWaalsContact CE1-NH1 3.31Å
512S96Very high95.2Very high0 Ų022.5 Ų22.50%011%0.111CC..THydrogen-bonded Turntrans-64.8134.7-177.3167.10000111.1P475 H476 A508 P509 R510 V514P475-S512 WeakPolarHBondContact CD-O 3.11Å; P475-S512 WeakPolarHBondContact CG-O 3.48Å; H476-S512 PolarHBondContact CE1-OG 3.44Å; H476-S512 PolarHBondContact ND1-OG 2.84Å; A508-S512 VanDerWaalsContact CB-O 3.29Å; A508-S512 WeakPolarHBondContact CB-O 3.29Å; P509-S512 WeakPolarHBondContact O-CB 3.17Å; P509-S512 PolarHBondContact O-N 2.92Å; R510-S512 PolarHBondContact O-N 3Å; S512-V514 PolarHBondContact O-N 2.84Å
513G95.9Very high95.4Very high0 Ų023.1 Ų23.10%011%0.114CC..THydrogen-bonded Turntrans75.7-6.4-178.700000114.9H511 P516 Y518 Y522H511-G513 PolarHBondContact O-N 3.25Å; G513-P516 CarbonylContact C-O 3.52Å; G513-P516 WeakPolarHBondContact CA-O 3.45Å; G513-Y518 PolarHBondContact O-N 2.8Å; G513-Y522 WeakPolarHBondContact O-CE2 3.41Å
514V96.6Very high95.9Very high0 Ų016.2 Ų16.20%08%0.079CC..THydrogen-bonded Turntrans-76.3-53.8171.2-172.50000109.4A508 H511 S512 V517 L521 Y522 W525 T534 T536 V558A508-V514 HydrophobicContact CB-CG2 4.03Å; H511-V514 WeakPolarHBondContact O-CB 3.48Å; H511-V514 PolarHBondContact O-N 2.91Å; S512-V514 PolarHBondContact O-N 2.84Å; V514-V517 WeakPolarHBondContact O-CG2 3.42Å; V514-L521 HydrophobicContact CG2-CD2 4.19Å; V514-Y522 PolarHBondContact O-OH 3.08Å; V514-W525 HydrophobicContact CG2-CH2 3.72Å; V514-W525 HydrophobicContact CG2-CZ3 4.18Å; V514-T534 HydrophobicContact CG1-CG2 3.98Å; V514-T536 HydrophobicContact CG1-CG2 4.14Å; V514-V558 HydrophobicContact CG1-CG1 3.77Å; V514-V558 HydrophobicContact CG1-CG2 4.37Å
515Y94.8Very high96Very high5 Ų516 Ų162%0.028%0.076CC..THydrogen-bonded Turntrans-146.9125166.8-171.1-94.1000109.7H538 Y539 F551 P661 L662 Y663 S664 L672Y515-H538 HydrophobicContact CD1-CB 4.39Å; Y515-H538 VanDerWaalsContact CD1-O 3.29Å; Y515-H538 WeakPolarHBondContact CD1-O 3.33Å; Y515-Y539 HydrophobicContact CD1-CD2 4.15Å; Y515-Y539 AromaticContact CD2-CD2 3.69Å; Y515-Y539 HydrophobicContact CD2-CD2 3.69Å; Y515-Y539 HydrophobicContact CD2-CE2 4.43Å; Y515-Y539 HydrophobicContact CD2-CG 4.32Å; Y515-Y539 HydrophobicContact CE1-CD2 4.01Å; Y515-Y539 AromaticContact CE2-CD2 3.53Å; Y515-Y539 HydrophobicContact CE2-CD2 3.53Å; Y515-Y539 AromaticContact CE2-CE2 3.96Å; Y515-Y539 HydrophobicContact CE2-CE2 3.96Å; Y515-Y539 HydrophobicContact CG-CD2 4.01Å; Y515-Y539 HydrophobicContact CG-CG 4.36Å; Y515-Y539 AromaticContact CZ-CD2 3.7Å; Y515-F551 HydrophobicContact CD2-CE1 4.45Å; Y515-F551 HydrophobicContact CD2-CZ 4.41Å; Y515-P661 HydrophobicContact CD2-CB 4.28Å; Y515-P661 HydrophobicContact CE2-CB 4.11Å; Y515-L662 PolarHBondContact OH-O 2.87Å; Y515-Y663 HydrophobicContact CE2-CD1 4.33Å; Y515-S664 PolarHBondContact OH-N 2.93Å; Y515-S664 PolarHBondContact OH-OG 2.77Å; Y515-L672 HydrophobicContact CD1-CD2 4.16Å; Y515-L672 HydrophobicContact CE1-CD1 4.12Å; Y515-L672 HydrophobicContact CE1-CD2 4.28Å
516P94.3Very high95.9Very high10 Ų1020.8 Ų20.87%0.0659%0.094CC..THydrogen-bonded Turncis-55.8145.6-4.6-21.634.2000112.2G513 Y518 P666 L672 W676G513-P516 CarbonylContact C-O 3.52Å; G513-P516 WeakPolarHBondContact CA-O 3.45Å; P516-Y518 PolarHBondContact O-N 2.78Å; P516-P666 HydrophobicContact CG-CB 4.25Å; P516-P666 HydrophobicContact CG-CG 4.24Å; P516-L672 HydrophobicContact CG-CB 4.28Å; P516-W676 HydrophobicContact CB-CE3 3.74Å; P516-W676 HydrophobicContact CB-CZ3 3.79Å; P516-W676 HydrophobicContact CG-CE3 4.16Å
517V95.8Very high95.8Very high12 Ų1223.6 Ų23.67%0.07311%0.111CC..THydrogen-bonded Turntrans-68.8126.3-173.7170.70000109.9V514 Y522 F551 Y553 P661 Y663V514-V517 WeakPolarHBondContact O-CG2 3.42Å; V517-Y522 HydrophobicContact CB-CE2 4.42Å; V517-Y522 HydrophobicContact CG1-CD2 4.06Å; V517-Y522 HydrophobicContact CG1-CE2 3.78Å; V517-Y522 HydrophobicContact CG2-CE2 4.33Å; V517-F551 HydrophobicContact CG2-CE2 4.19Å; V517-F551 HydrophobicContact CG2-CZ 4.39Å; V517-Y553 HydrophobicContact CG1-CD1 3.87Å; V517-Y553 HydrophobicContact CG1-CD2 3.98Å; V517-Y553 HydrophobicContact CG1-CE1 3.57Å; V517-Y553 HydrophobicContact CG1-CE2 3.68Å; V517-Y553 HydrophobicContact CG1-CG 4.07Å; V517-Y553 VanDerWaalsContact CG1-CZ 3.46Å; V517-Y553 HydrophobicContact CG2-CD2 4.33Å; V517-Y553 HydrophobicContact CG2-CG 4.43Å; V517-P661 HydrophobicContact CG2-CG 4.06Å; V517-Y663 HydrophobicContact CB-CE1 4.15Å; V517-Y663 HydrophobicContact CG2-CE1 4Å
518Y96.7Very high95.7Very high25 Ų2525.1 Ų25.110%0.09812%0.121CC..  trans-108.1103.1168.6-170.7-116.8000109.1P475 M478 I483 G513 P516 D520 L521 P677 W680P475-Y518 HydrophobicContact CB-CD1 4.27Å; P475-Y518 VanDerWaalsContact O-CE1 3.25Å; P475-Y518 WeakPolarHBondContact O-CE1 3.3Å; M478-Y518 WeakPolarHBondContact O-CE1 3.04Å; M478-Y518 PolarHBondContact O-OH 2.83Å; I483-Y518 HydrophobicContact CD1-CD1 4.15Å; I483-Y518 HydrophobicContact CD1-CE1 3.77Å; G513-Y518 PolarHBondContact O-N 2.8Å; P516-Y518 PolarHBondContact O-N 2.78Å; Y518-D520 VanDerWaalsContact C-N 3.27Å; Y518-D520 HydrophobicContact CD1-CB 4.11Å; Y518-D520 HydrophobicContact CE1-CB 3.71Å; Y518-D520 PolarHBondContact O-N 3.44Å; Y518-D520 VanDerWaalsContact O-N 3.15Å; Y518-L521 HydrophobicContact CD1-CB 4.3Å; Y518-L521 WeakPolarHBondContact O-CB 3.47Å; Y518-L521 PolarHBondContact O-N 3.43Å; Y518-L521 VanDerWaalsContact O-N 3.07Å; Y518-P677 HydrophobicContact CD2-CG 4.18Å; Y518-P677 HydrophobicContact CE2-CG 4.08Å; Y518-W680 AromaticContact CD2-CH2 3.61Å; Y518-W680 HydrophobicContact CD2-CH2 3.61Å; Y518-W680 AromaticContact CD2-CZ2 3.93Å; Y518-W680 HydrophobicContact CD2-CZ2 3.93Å; Y518-W680 HydrophobicContact CD2-CZ3 4.31Å; Y518-W680 AromaticContact CE2-CH2 3.87Å; Y518-W680 HydrophobicContact CE2-CH2 3.87Å; Y518-W680 AromaticContact CE2-CZ2 3.66Å; Y518-W680 HydrophobicContact CE2-CZ2 3.66Å
519P95.9Very high95.4Very high44 Ų4426.2 Ų26.229%0.28613%0.128SC..Hα-helixtrans-55.9-36.6-168.5-28.935.9000114.8L521 Y522 E523P519-L521 VanDerWaalsContact C-N 3.26Å; P519-L521 PolarHBondContact O-N 3.4Å; P519-Y522 PolarHBondContact O-N 2.68Å; P519-E523 PolarHBondContact O-N 3.06Å
520D96.1Very high95.4Very high55 Ų5531.5 Ų31.529%0.29416%0.156SC..Hα-helixtrans-62.8-31.1-179.1-76.5-9.3000113.1K480 I483 Y518 A524K480-D520 HydrophobicContact CB-CB 4.03Å; K480-D520 HydrophobicContact CG-CB 4.33Å; I483-D520 HydrophobicContact CD1-CB 4.42Å; Y518-D520 VanDerWaalsContact C-N 3.27Å; Y518-D520 HydrophobicContact CD1-CB 4.11Å; Y518-D520 HydrophobicContact CE1-CB 3.71Å; Y518-D520 PolarHBondContact O-N 3.44Å; Y518-D520 VanDerWaalsContact O-N 3.15Å; D520-A524 VanDerWaalsContact O-CB 3.28Å; D520-A524 WeakPolarHBondContact O-CB 3.22Å; D520-A524 PolarHBondContact O-N 2.9Å
521L97.9Very high95.7Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-63.6-51.3174.2174.463.3000110.9P475 I483 A508 V514 Y518 P519 E523 A524 W525P475-L521 HydrophobicContact CB-CB 4.1Å; P475-L521 HydrophobicContact CB-CD1 4.03Å; P475-L521 HydrophobicContact CB-CD2 4.05Å; P475-L521 HydrophobicContact CB-CG 4.28Å; P475-L521 HydrophobicContact CG-CD1 3.73Å; P475-L521 HydrophobicContact CG-CD2 3.89Å; P475-L521 HydrophobicContact CG-CG 4.29Å; I483-L521 HydrophobicContact CG2-CD1 4.03Å; A508-L521 HydrophobicContact CB-CD2 3.98Å; V514-L521 HydrophobicContact CG2-CD2 4.19Å; Y518-L521 HydrophobicContact CD1-CB 4.3Å; Y518-L521 WeakPolarHBondContact O-CB 3.47Å; Y518-L521 PolarHBondContact O-N 3.43Å; Y518-L521 VanDerWaalsContact O-N 3.07Å; P519-L521 VanDerWaalsContact C-N 3.26Å; P519-L521 PolarHBondContact O-N 3.4Å; L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 3.41Å; L521-A524 PolarHBondContact O-N 3.07Å; L521-W525 HydrophobicContact CD1-CD2 3.91Å; L521-W525 HydrophobicContact CD1-CE3 4.26Å; L521-W525 HydrophobicContact CD1-CG 4.45Å; L521-W525 HydrophobicContact CD1-CH2 4.24Å; L521-W525 HydrophobicContact CD1-CZ2 3.86Å; L521-W525 HydrophobicContact CD1-CZ3 4.41Å; L521-W525 HydrophobicContact CD2-CE3 4.26Å; L521-W525 HydrophobicContact CD2-CH2 3.67Å; L521-W525 HydrophobicContact CD2-CZ2 4.12Å; L521-W525 HydrophobicContact CD2-CZ3 3.73Å; L521-W525 HydrophobicContact CG-CD2 3.97Å; L521-W525 HydrophobicContact CG-CE3 3.81Å; L521-W525 HydrophobicContact CG-CH2 4Å; L521-W525 HydrophobicContact CG-CZ2 4.14Å; L521-W525 HydrophobicContact CG-CZ3 3.81Å; L521-W525 WeakPolarHBondContact O-CB 3.17Å; L521-W525 PolarHBondContact O-N 3.43Å
522Y97.7Very high95.9Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-63.2-39.2-178.8-75.1-98.2000111.7G513 V514 V517 P519 R526 Y553 I556 V558G513-Y522 WeakPolarHBondContact O-CE2 3.41Å; V514-Y522 PolarHBondContact O-OH 3.08Å; V517-Y522 HydrophobicContact CB-CE2 4.42Å; V517-Y522 HydrophobicContact CG1-CD2 4.06Å; V517-Y522 HydrophobicContact CG1-CE2 3.78Å; V517-Y522 HydrophobicContact CG2-CE2 4.33Å; P519-Y522 PolarHBondContact O-N 2.68Å; Y522-R526 WeakPolarHBondContact O-CB 3.41Å; Y522-R526 PolarHBondContact O-N 3.14Å; Y522-Y553 AromaticContact CD1-CD1 3.48Å; Y522-Y553 HydrophobicContact CD1-CD1 3.48Å; Y522-Y553 VanDerWaalsContact CD1-CD1 3.48Å; Y522-Y553 HydrophobicContact CD1-CE1 4.29Å; Y522-Y553 HydrophobicContact CD1-CG 4.37Å; Y522-Y553 AromaticContact CD2-CD1 3.76Å; Y522-Y553 HydrophobicContact CD2-CD1 3.76Å; Y522-Y553 AromaticContact CD2-CE1 3.94Å; Y522-Y553 HydrophobicContact CD2-CE1 3.94Å; Y522-Y553 AromaticContact CE1-CD1 3.77Å; Y522-Y553 HydrophobicContact CE1-CD1 3.77Å; Y522-Y553 HydrophobicContact CE1-CG 4.26Å; Y522-Y553 HydrophobicContact CE2-CD1 4.03Å; Y522-Y553 HydrophobicContact CE2-CE1 4.49Å; Y522-Y553 AromaticContact CG-CD1 3.47Å; Y522-Y553 HydrophobicContact CG-CD1 3.47Å; Y522-Y553 VanDerWaalsContact CG-CD1 3.47Å; Y522-Y553 AromaticContact CG-CE1 3.82Å; Y522-Y553 HydrophobicContact CG-CE1 3.82Å; Y522-I556 HydrophobicContact CD1-CB 3.99Å; Y522-I556 HydrophobicContact CD1-CD1 3.83Å; Y522-I556 HydrophobicContact CD1-CG1 4.16Å; Y522-I556 HydrophobicContact CE1-CB 4.21Å; Y522-I556 HydrophobicContact CE1-CG2 4.46Å; Y522-V558 HydrophobicContact CE1-CG2 4.14Å
523E96.6Very high96Very high46 Ų4629.6 Ų29.622%0.21516%0.156CC..Hα-helixtrans-66.4-45.5176.1-17959.5-172.100111.8K480 P519 L521 W525 R526 T527K480-E523 VanDerWaalsContact NZ-CG 3.29Å; K480-E523 IonicContact NZ-OE1 3.92Å; P519-E523 PolarHBondContact O-N 3.06Å; L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 3.41Å; E523-W525 PolarHBondContact O-N 3.24Å; E523-R526 PolarHBondContact O-N 3.25Å; E523-R526 IonicContact OE1-CZ 3.64Å; E523-R526 IonicContact OE1-NH2 3.94Å; E523-R526 PolarHBondContact OE1-NH2 3.39Å; E523-R526 IonicContact OE2-CZ 3.57Å; E523-R526 IonicContact OE2-NE 2.74Å; E523-R526 PolarHBondContact OE2-NE 3.45Å; E523-R526 IonicContact OE2-NH2 3.26Å; E523-R526 PolarHBondContact OE2-NH2 3.31Å; E523-T527 HydrophobicContact CG-CG2 4.44Å; E523-T527 WeakPolarHBondContact O-CB 3.33Å; E523-T527 WeakPolarHBondContact O-CG2 3.19Å; E523-T527 PolarHBondContact O-N 3.06Å; E523-T527 PolarHBondContact O-OG1 3.12Å; E523-T527 WeakPolarHBondContact OE1-CG2 3.29Å
524A97.3Very high96.1Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-59.1-47.2175.600000111.6I483 Q484 I487 D520 L521 R526 T527 V528I483-A524 HydrophobicContact CB-CB 4.29Å; I483-A524 HydrophobicContact CG2-CB 3.65Å; Q484-A524 HydrophobicContact CG-CB 3.64Å; I487-A524 HydrophobicContact CD1-CB 3.91Å; D520-A524 VanDerWaalsContact O-CB 3.28Å; D520-A524 WeakPolarHBondContact O-CB 3.22Å; D520-A524 PolarHBondContact O-N 2.9Å; L521-A524 PolarHBondContact O-N 3.07Å; A524-R526 PolarHBondContact O-N 3.45Å; A524-T527 PolarHBondContact O-N 3.14Å; A524-T527 PolarHBondContact O-OG1 3.03Å; A524-V528 WeakPolarHBondContact O-CB 3.39Å; A524-V528 WeakPolarHBondContact O-CG2 3.18Å; A524-V528 PolarHBondContact O-N 3.41Å
525W97.1Very high96Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-55.4-44.1174.9-91.8-16.1000114.1S506 A508 V514 L521 E523 S529 N530 V531 T534 I556S506-W525 PolarHBondContact OG-NE1 3.19Å; S506-W525 VanDerWaalsContact OG-NE1 3.17Å; A508-W525 HydrophobicContact CB-CH2 4.08Å; A508-W525 HydrophobicContact CB-CZ2 3.97Å; V514-W525 HydrophobicContact CG2-CH2 3.72Å; V514-W525 HydrophobicContact CG2-CZ3 4.18Å; L521-W525 HydrophobicContact CD1-CD2 3.91Å; L521-W525 HydrophobicContact CD1-CE3 4.26Å; L521-W525 HydrophobicContact CD1-CG 4.45Å; L521-W525 HydrophobicContact CD1-CH2 4.24Å; L521-W525 HydrophobicContact CD1-CZ2 3.86Å; L521-W525 HydrophobicContact CD1-CZ3 4.41Å; L521-W525 HydrophobicContact CD2-CE3 4.26Å; L521-W525 HydrophobicContact CD2-CH2 3.67Å; L521-W525 HydrophobicContact CD2-CZ2 4.12Å; L521-W525 HydrophobicContact CD2-CZ3 3.73Å; L521-W525 HydrophobicContact CG-CD2 3.97Å; L521-W525 HydrophobicContact CG-CE3 3.81Å; L521-W525 HydrophobicContact CG-CH2 4Å; L521-W525 HydrophobicContact CG-CZ2 4.14Å; L521-W525 HydrophobicContact CG-CZ3 3.81Å; L521-W525 WeakPolarHBondContact O-CB 3.17Å; L521-W525 PolarHBondContact O-N 3.43Å; E523-W525 PolarHBondContact O-N 3.24Å; W525-S529 CarbonylContact O-C 3.56Å; W525-S529 PolarHBondContact O-N 3.47Å; W525-S529 PolarHBondContact O-OG 3.38Å; W525-N530 PolarHBondContact O-N 2.82Å; W525-V531 HydrophobicContact CB-CB 3.82Å; W525-V531 HydrophobicContact CB-CG1 4.22Å; W525-V531 HydrophobicContact CB-CG2 4.35Å; W525-V531 HydrophobicContact CD2-CG1 4.19Å; W525-V531 HydrophobicContact CE3-CG1 4.44Å; W525-V531 HydrophobicContact CG-CB 4.01Å; W525-V531 HydrophobicContact CG-CG1 4.11Å; W525-V531 HydrophobicContact CG-CG2 4.18Å; W525-V531 PolarHBondContact O-N 3.49Å; W525-T534 HydrophobicContact CH2-CG2 4.3Å; W525-T534 WeakPolarHBondContact CH2-OG1 3.29Å; W525-T534 HydrophobicContact CZ3-CG2 3.91Å; W525-I556 HydrophobicContact CB-CD1 3.99Å; W525-I556 HydrophobicContact CE3-CD1 4.24Å
526R95.2Very high96Very high107 Ų10729.4 Ų29.440%0.40416%0.155SC..Hα-helixtrans-68.3-44.6177.3-171.8-171.865.375.8-1.2112Y522 E523 A524Y522-R526 WeakPolarHBondContact O-CB 3.41Å; Y522-R526 PolarHBondContact O-N 3.14Å; E523-R526 PolarHBondContact O-N 3.25Å; E523-R526 IonicContact OE1-CZ 3.64Å; E523-R526 IonicContact OE1-NH2 3.94Å; E523-R526 PolarHBondContact OE1-NH2 3.39Å; E523-R526 IonicContact OE2-CZ 3.57Å; E523-R526 IonicContact OE2-NE 2.74Å; E523-R526 PolarHBondContact OE2-NE 3.45Å; E523-R526 IonicContact OE2-NH2 3.26Å; E523-R526 PolarHBondContact OE2-NH2 3.31Å; A524-R526 PolarHBondContact O-N 3.45Å
527T94.9Very high95.9Very high64 Ų6430.8 Ų30.839%0.39316%0.162SC..Hα-helixtrans-79.5-31.6-172.757.40000114.9Q484 E523 A524Q484-T527 PolarHBondContact NE2-OG1 2.87Å; E523-T527 HydrophobicContact CG-CG2 4.44Å; E523-T527 WeakPolarHBondContact O-CB 3.33Å; E523-T527 WeakPolarHBondContact O-CG2 3.19Å; E523-T527 PolarHBondContact O-N 3.06Å; E523-T527 PolarHBondContact O-OG1 3.12Å; E523-T527 WeakPolarHBondContact OE1-CG2 3.29Å; A524-T527 PolarHBondContact O-N 3.14Å; A524-T527 PolarHBondContact O-OG1 3.03Å
528V95Very high95.6Very high33 Ų3330.7 Ų30.720%0.216%0.16CC..Hα-helixtrans-101.9-43.7-172.2-179.90000111.9Q484 I487 E488 Q491 A524Q484-V528 HydrophobicContact CB-CG2 3.95Å; Q484-V528 HydrophobicContact CG-CG2 3.77Å; I487-V528 HydrophobicContact CB-CG1 4.07Å; I487-V528 HydrophobicContact CG2-CB 4.17Å; I487-V528 HydrophobicContact CG2-CG1 3.63Å; E488-V528 HydrophobicContact CG-CG1 3.58Å; Q491-V528 PolarHBondContact NE2-O 2.78Å; A524-V528 WeakPolarHBondContact O-CB 3.39Å; A524-V528 WeakPolarHBondContact O-CG2 3.18Å; A524-V528 PolarHBondContact O-N 3.41Å
529S91Very high95.3Very high24 Ų2430.4 Ų30.417%0.16816%0.159CC..SBendtrans-1205.9-172.354.80000114.5Q491 W525 V531Q491-S529 VanDerWaalsContact NE2-CB 3.33Å; W525-S529 CarbonylContact O-C 3.56Å; W525-S529 PolarHBondContact O-N 3.47Å; W525-S529 PolarHBondContact O-OG 3.38Å; S529-V531 PolarHBondContact O-N 3.35Å; S529-V531 VanDerWaalsContact O-N 3.15Å; S529-V531 VanDerWaalsContact OG-CG2 3.26Å; S529-V531 WeakPolarHBondContact OG-CG2 3.42Å
530N94.6Very high94.4Very high110 Ų11030.2 Ų30.259%0.58816%0.158SC*.  trans48.938.8-178.6-166.533.4000112.9W525 N532W525-N530 PolarHBondContact O-N 2.82Å; N530-N532 PolarHBondContact O-N 2.91Å
531V97.3Very high92.9Very high6 Ų633 Ų334%0.03617%0.166CC..  trans-68.3127178.2167.20000108.9G504 W525 S529 V533 I556G504-V531 WeakPolarHBondContact O-CA 3.48Å; W525-V531 HydrophobicContact CB-CB 3.82Å; W525-V531 HydrophobicContact CB-CG1 4.22Å; W525-V531 HydrophobicContact CB-CG2 4.35Å; W525-V531 HydrophobicContact CD2-CG1 4.19Å; W525-V531 HydrophobicContact CE3-CG1 4.44Å; W525-V531 HydrophobicContact CG-CB 4.01Å; W525-V531 HydrophobicContact CG-CG1 4.11Å; W525-V531 HydrophobicContact CG-CG2 4.18Å; W525-V531 PolarHBondContact O-N 3.49Å; S529-V531 PolarHBondContact O-N 3.35Å; S529-V531 VanDerWaalsContact O-N 3.15Å; S529-V531 VanDerWaalsContact OG-CG2 3.26Å; S529-V531 WeakPolarHBondContact OG-CG2 3.42Å; V531-V533 WeakPolarHBondContact CG1-O 3.48Å; V531-I556 HydrophobicContact CG1-CD1 4.28Å; V531-I556 HydrophobicContact CG1-CG2 4.3Å; V531-I556 VanDerWaalsContact O-CD1 3.31Å; V531-I556 WeakPolarHBondContact O-CD1 3.05Å; V531-I556 WeakPolarHBondContact O-CG1 3.45Å
532N96.8Very high91Very high76 Ų7636 Ų3641%0.40618%0.183SC..  trans-122.5-7177.362.80.5000112.4G504 N530 I556 Q557G504-N532 WeakPolarHBondContact CA-OD1 3.31Å; G504-N532 PolarHBondContact O-N 3.29Å; G504-N532 PolarHBondContact O-OD1 2.89Å; G504-N532 VanDerWaalsContact O-OD1 3.09Å; N530-N532 PolarHBondContact O-N 2.91Å; N532-I556 CarbonylContact O-C 3.53Å; N532-I556 WeakPolarHBondContact O-CA 3.47Å; N532-Q557 PolarHBondContact O-N 3.41Å
533V97.9Very high89Confident5 Ų545 Ų453%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-135.8139.1175.6-174.80000110.2G504 Y505 S506 V531 Q557 L559 A645G504-V533 PolarHBondContact O-N 2.96Å; G504-V533 VanDerWaalsContact O-O 3.14Å; Y505-V533 WeakPolarHBondContact CA-O 3.49Å; Y505-V533 HydrophobicContact CD2-CB 4.02Å; Y505-V533 HydrophobicContact CD2-CG1 3.76Å; Y505-V533 WeakPolarHBondContact CD2-O 3.39Å; Y505-V533 HydrophobicContact CE2-CG1 4.11Å; S506-V533 PolarHBondContact N-O 3.3Å; V531-V533 WeakPolarHBondContact CG1-O 3.48Å; V533-Q557 CarbonylContact C-O 3.55Å; V533-Q557 VanDerWaalsContact CA-O 3.3Å; V533-Q557 WeakPolarHBondContact CA-O 3.45Å; V533-L559 HydrophobicContact CG1-CD1 3.67Å; V533-L559 HydrophobicContact CG1-CG 3.94Å; V533-A645 HydrophobicContact CB-CB 4.32Å; V533-A645 HydrophobicContact CG1-CB 3.79Å; V533-A645 HydrophobicContact CG2-CB 3.45Å; V533-A645 VanDerWaalsContact CG2-CB 3.45Å
534T97.8Very high86.9Confident0 Ų045.9 Ų45.90%023%0.229CC..EExtended strand (participates in β ladder)trans-145.2-178.2168.1-170.20000109.2S506 V514 W525 I556 Q557 V558 L559S506-T534 WeakPolarHBondContact O-CB 3.39Å; S506-T534 PolarHBondContact O-OG1 3.06Å; V514-T534 HydrophobicContact CG1-CG2 3.98Å; W525-T534 HydrophobicContact CH2-CG2 4.3Å; W525-T534 WeakPolarHBondContact CH2-OG1 3.29Å; W525-T534 HydrophobicContact CZ3-CG2 3.91Å; T534-I556 HydrophobicContact CG2-CG2 3.97Å; T534-Q557 PolarHBondContact N-O 2.87Å; T534-V558 HydrophobicContact CG2-CB 4.25Å; T534-V558 HydrophobicContact CG2-CG1 4.16Å; T534-V558 HydrophobicContact CG2-CG2 3.72Å; T534-V558 WeakPolarHBondContact O-CA 3.45Å; T534-L559 PolarHBondContact O-N 3.16Å
535S96.4Very high84.6Confident0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-145.8152.7178.470.30000112.3Y505 H511 L559 R561Y505-S535 WeakPolarHBondContact OH-CB 3.46Å; Y505-S535 PolarHBondContact OH-OG 3.3Å; H511-S535 PolarHBondContact ND1-O 3.25Å; S535-L559 VanDerWaalsContact CA-O 3.24Å; S535-L559 WeakPolarHBondContact CA-O 3.38Å; S535-L559 WeakPolarHBondContact CB-O 3.5Å; S535-R561 WeakPolarHBondContact OG-CD 3.34Å
536T94.8Very high82.8Confident1 Ų150.5 Ų50.51%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-145.2144.5179.2-171.20000112.6V514 H538 F551 V558 L559 R561V514-T536 HydrophobicContact CG1-CG2 4.14Å; T536-H538 PolarHBondContact OG1-N 3.13Å; T536-H538 VanDerWaalsContact OG1-N 3.13Å; T536-F551 HydrophobicContact CG2-CE1 4.3Å; T536-V558 HydrophobicContact CG2-CG1 3.66Å; T536-L559 PolarHBondContact N-O 2.97Å; T536-L559 VanDerWaalsContact N-O 3.1Å; T536-R561 PolarHBondContact O-N 3.45Å
537I91Very high81.5Confident39 Ų3947.3 Ų47.320%0.225%0.246CC..SBendtrans-87.5-8.7170.170.7-179.9000112.4R561 T563 M605I537-R561 WeakPolarHBondContact CA-O 3.34Å; I537-R561 HydrophobicContact CG2-CB 3.77Å; I537-R561 HydrophobicContact CG2-CG 4.06Å; I537-T563 HydrophobicContact CD1-CG2 4.4Å; I537-M605 HydrophobicContact CD1-SD 4.29Å; I537-M605 HydrophobicContact CG2-SD 4.42Å
538H90.5Very high80.5Confident9 Ų945.1 Ų45.14%0.04223%0.231CC..SBendtrans-94.71.1-169-56.9-39.9000114.5R510 Y515 T536 Y541 H671 L672 L675R510-H538 PolarHBondContact O-NE2 2.98Å; Y515-H538 HydrophobicContact CD1-CB 4.39Å; Y515-H538 VanDerWaalsContact CD1-O 3.29Å; Y515-H538 WeakPolarHBondContact CD1-O 3.33Å; T536-H538 PolarHBondContact OG1-N 3.13Å; T536-H538 VanDerWaalsContact OG1-N 3.13Å; H538-Y541 PolarHBondContact O-N 3.2Å; H538-H671 AromaticContact CE1-CD2 3.88Å; H538-H671 AromaticContact CE1-CE1 3.73Å; H538-H671 AromaticContact CE1-NE2 2.88Å; H538-H671 PolarHBondContact CE1-NE2 2.8Å; H538-H671 AromaticContact ND1-CD2 3.67Å; H538-H671 AromaticContact ND1-NE2 3.12Å; H538-H671 PolarHBondContact ND1-NE2 2.81Å; H538-H671 VanDerWaalsContact ND1-NE2 3.12Å; H538-H671 AromaticContact NE2-NE2 3.59Å; H538-L672 HydrophobicContact CB-CD2 4.11Å; H538-L675 WeakPolarHBondContact CD2-CD1 3.44Å; H538-L675 WeakPolarHBondContact NE2-CD1 3.48Å
539Y90Very high80Confident19 Ų1944.3 Ų44.38%0.07523%0.227CC..SBendtrans-131.9138.2-176.7-175.3-95.2000114.1Y515 H548 S549 F551 P661 L662Y515-Y539 HydrophobicContact CD1-CD2 4.15Å; Y515-Y539 AromaticContact CD2-CD2 3.69Å; Y515-Y539 HydrophobicContact CD2-CD2 3.69Å; Y515-Y539 HydrophobicContact CD2-CE2 4.43Å; Y515-Y539 HydrophobicContact CD2-CG 4.32Å; Y515-Y539 HydrophobicContact CE1-CD2 4.01Å; Y515-Y539 AromaticContact CE2-CD2 3.53Å; Y515-Y539 HydrophobicContact CE2-CD2 3.53Å; Y515-Y539 AromaticContact CE2-CE2 3.96Å; Y515-Y539 HydrophobicContact CE2-CE2 3.96Å; Y515-Y539 HydrophobicContact CG-CD2 4.01Å; Y515-Y539 HydrophobicContact CG-CG 4.36Å; Y515-Y539 AromaticContact CZ-CD2 3.7Å; Y539-H548 PolarHBondContact O-ND1 3.45Å; Y539-S549 VanDerWaalsContact CD1-O 3.23Å; Y539-S549 WeakPolarHBondContact CD1-O 3.37Å; Y539-F551 AromaticContact CD1-CD1 3.33Å; Y539-F551 HydrophobicContact CD1-CD1 3.33Å; Y539-F551 AromaticContact CD1-CE1 3.87Å; Y539-F551 HydrophobicContact CD1-CE1 3.87Å; Y539-F551 HydrophobicContact CD1-CG 4.34Å; Y539-F551 HydrophobicContact CD2-CD1 4.4Å; Y539-F551 HydrophobicContact CD2-CE1 4.45Å; Y539-F551 HydrophobicContact CE1-CB 4.03Å; Y539-F551 AromaticContact CE1-CD1 3.64Å; Y539-F551 HydrophobicContact CE1-CD1 3.64Å; Y539-F551 HydrophobicContact CE1-CG 4.24Å; Y539-F551 AromaticContact CG-CD1 3.75Å; Y539-F551 HydrophobicContact CG-CD1 3.75Å; Y539-F551 AromaticContact CG-CE1 3.81Å; Y539-F551 HydrophobicContact CG-CE1 3.81Å; Y539-P661 HydrophobicContact CD2-CB 4.36Å; Y539-P661 HydrophobicContact CE2-CB 3.8Å; Y539-L662 PolarHBondContact OH-N 3.08Å
540P76.4Confident80.1Confident41 Ų4143.2 Ų43.227%0.26622%0.22SC..SBendcis-54.7152.2-28.825-29.2000109V542P540-V542 HydrophobicContact CB-CG2 3.86Å; P540-V542 HydrophobicContact CG-CG2 3.57Å; P540-V542 WeakPolarHBondContact O-CG2 3.33Å; P540-V542 PolarHBondContact O-N 3.45Å
541Y65.9Low80.1Confident114 Ų11438 Ų3845%0.44719%0.192SC..  trans-73104.7174.4-173.4-83.2000108.7H538 N669 H671 L672H538-Y541 PolarHBondContact O-N 3.2Å; Y541-N669 WeakPolarHBondContact CE1-ND2 3.48Å; Y541-N669 WeakPolarHBondContact CE2-OD1 3.49Å; Y541-N669 VanDerWaalsContact CZ-CG 3.49Å; Y541-N669 PolarHBondContact OH-ND2 2.81Å; Y541-N669 VanDerWaalsContact OH-ND2 3.07Å; Y541-H671 HydrophobicContact CE2-CB 4.19Å; Y541-L672 HydrophobicContact CD2-CD1 4.43Å; Y541-L672 HydrophobicContact CD2-CD2 4.04Å; Y541-L672 HydrophobicContact CD2-CG 4.05Å; Y541-L672 HydrophobicContact CG-CD1 4.31Å; Y541-L672 HydrophobicContact CG-CG 4.41Å
542V57.3Low80.1Confident61 Ų6142.4 Ų42.437%0.3721%0.207SC..  trans-146.1175.2-178.4-1190000110.2P540 D546P540-V542 HydrophobicContact CB-CG2 3.86Å; P540-V542 HydrophobicContact CG-CG2 3.57Å; P540-V542 WeakPolarHBondContact O-CG2 3.33Å; P540-V542 PolarHBondContact O-N 3.45Å; V542-D546 HydrophobicContact CB-CB 3.66Å; V542-D546 WeakPolarHBondContact CB-OD2 3.47Å; V542-D546 HydrophobicContact CG1-CB 3.91Å; V542-D546 WeakPolarHBondContact CG1-OD2 3.44Å; V542-D546 HydrophobicContact CG2-CB 4.11Å
543R54.7Low80.1Confident189 Ų18939.7 Ų39.771%0.71319%0.192SC*.  trans-62.2154.8177.6-60.4177.2177.9-175.3-1.3109.2S545 D546R543-S545 PolarHBondContact O-N 2.84Å; R543-D546 WeakPolarHBondContact CB-OD2 3.43Å; R543-D546 PolarHBondContact N-OD2 3.34Å; R543-D546 VanDerWaalsContact N-OD2 3.08Å; R543-D546 WeakPolarHBondContact O-CB 3.12Å; R543-D546 PolarHBondContact O-N 3.49Å
544S52.7Low80Confident65 Ų6542.3 Ų42.346%0.45521%0.206SC..THydrogen-bonded Turntrans-54-22.2-178.450.40000115.1E591S544-E591 WeakPolarHBondContact CB-OE1 3.36Å; S544-E591 PolarHBondContact OG-OE1 2.89Å
545S49.3Very low79.9Confident43 Ų4348.2 Ų48.230%0.30124%0.237SC..THydrogen-bonded Turntrans-93.4-15.4-178.239.70000113.2H109 R543 E591H109-S545 PolarHBondContact CE1-O 2.91Å; H109-S545 VanDerWaalsContact CE1-O 3.23Å; R543-S545 PolarHBondContact O-N 2.84Å; S545-E591 VanDerWaalsContact CA-OE1 3.23Å; S545-E591 WeakPolarHBondContact CA-OE1 3.4Å; S545-E591 WeakPolarHBondContact CB-OE1 3.47Å; S545-E591 PolarHBondContact N-OE1 3.1Å
546D60.3Low79.9Confident54 Ų5448.3 Ų48.329%0.28924%0.238SC..SBendtrans-76.1154.7-179.4-65.8-40.3000110.3V542 R543 H548V542-D546 HydrophobicContact CB-CB 3.66Å; V542-D546 WeakPolarHBondContact CB-OD2 3.47Å; V542-D546 HydrophobicContact CG1-CB 3.91Å; V542-D546 WeakPolarHBondContact CG1-OD2 3.44Å; V542-D546 HydrophobicContact CG2-CB 4.11Å; R543-D546 WeakPolarHBondContact CB-OD2 3.43Å; R543-D546 PolarHBondContact N-OD2 3.34Å; R543-D546 VanDerWaalsContact N-OD2 3.08Å; R543-D546 WeakPolarHBondContact O-CB 3.12Å; R543-D546 PolarHBondContact O-N 3.49Å; D546-H548 PolarHBondContact O-N 3.39Å; D546-H548 VanDerWaalsContact O-N 3.08Å
547F67.5Low80.1Confident41 Ų4148.4 Ų48.418%0.1824%0.238CC..  trans-63.4113.7179.1176.6-97.4000110.8L115 F652L115-F547 HydrophobicContact CD1-CE2 4.47Å; L115-F547 HydrophobicContact CD1-CZ 4.42Å; L115-F547 HydrophobicContact CD2-CD1 4.48Å; F547-F652 HydrophobicContact CE1-CD1 4.5Å; F547-F652 HydrophobicContact CE1-CE1 4.38Å; F547-F652 HydrophobicContact CE2-CD1 4.32Å; F547-F652 AromaticContact CE2-CE1 3.47Å; F547-F652 HydrophobicContact CE2-CE1 3.47Å; F547-F652 VanDerWaalsContact CE2-CE1 3.47Å; F547-F652 AromaticContact CE2-CZ 3.87Å; F547-F652 HydrophobicContact CE2-CZ 3.87Å; F547-F652 AromaticContact CZ-CD1 3.63Å; F547-F652 HydrophobicContact CZ-CD1 3.63Å; F547-F652 AromaticContact CZ-CE1 3.22Å; F547-F652 HydrophobicContact CZ-CE1 3.22Å; F547-F652 AromaticContact CZ-CZ 3.92Å; F547-F652 HydrophobicContact CZ-CZ 3.92Å
548H73.5Confident80.4Confident17 Ų1746.6 Ų46.68%0.07923%0.229CC..  trans-75.9131.7166.9-72.1-82.8000109.9Y539 D546 P560Y539-H548 PolarHBondContact O-ND1 3.45Å; D546-H548 PolarHBondContact O-N 3.39Å; D546-H548 VanDerWaalsContact O-N 3.08Å; H548-P560 HydrophobicContact CB-CB 3.56Å; H548-P560 WeakPolarHBondContact O-CB 3.48Å
549S84.3Confident80.6Confident17 Ų1746.1 Ų46.112%0.11923%0.227CC..  trans-107.2150176.8-171.10000109.8Y539 Y648Y539-S549 VanDerWaalsContact CD1-O 3.23Å; Y539-S549 WeakPolarHBondContact CD1-O 3.37Å; S549-Y648 WeakPolarHBondContact CA-OH 3.24Å
550G92.5Very high80.7Confident1 Ų145.3 Ų45.31%0.0122%0.224CC..  trans-84.7177161.300000112.2V558 Y648G550-V558 CarbonylContact C-O 3.48Å; G550-V558 WeakPolarHBondContact CA-O 3.25Å; G550-Y648 PolarHBondContact N-OH 3.12Å
551F95.9Very high81.5Confident0 Ų043.4 Ų43.40%021%0.211CC..EExtended strand (participates in β ladder)trans-153.5172.5172.963.8-88000109.4Y515 V517 T536 Y539 Q557 V558 V657 P661Y515-F551 HydrophobicContact CD2-CE1 4.45Å; Y515-F551 HydrophobicContact CD2-CZ 4.41Å; V517-F551 HydrophobicContact CG2-CE2 4.19Å; V517-F551 HydrophobicContact CG2-CZ 4.39Å; T536-F551 HydrophobicContact CG2-CE1 4.3Å; Y539-F551 AromaticContact CD1-CD1 3.33Å; Y539-F551 HydrophobicContact CD1-CD1 3.33Å; Y539-F551 AromaticContact CD1-CE1 3.87Å; Y539-F551 HydrophobicContact CD1-CE1 3.87Å; Y539-F551 HydrophobicContact CD1-CG 4.34Å; Y539-F551 HydrophobicContact CD2-CD1 4.4Å; Y539-F551 HydrophobicContact CD2-CE1 4.45Å; Y539-F551 HydrophobicContact CE1-CB 4.03Å; Y539-F551 AromaticContact CE1-CD1 3.64Å; Y539-F551 HydrophobicContact CE1-CD1 3.64Å; Y539-F551 HydrophobicContact CE1-CG 4.24Å; Y539-F551 AromaticContact CG-CD1 3.75Å; Y539-F551 HydrophobicContact CG-CD1 3.75Å; Y539-F551 AromaticContact CG-CE1 3.81Å; Y539-F551 HydrophobicContact CG-CE1 3.81Å; F551-Q557 PolarHBondContact O-NE2 3.37Å; F551-Q557 VanDerWaalsContact O-NE2 3.07Å; F551-V558 HydrophobicContact CD1-CB 3.92Å; F551-V558 HydrophobicContact CD1-CG1 4.13Å; F551-V558 HydrophobicContact CD1-CG2 4.43Å; F551-V558 HydrophobicContact CD2-CB 4.23Å; F551-V558 HydrophobicContact CD2-CG2 3.95Å; F551-V558 HydrophobicContact CE1-CB 3.76Å; F551-V558 HydrophobicContact CE1-CG1 3.6Å; F551-V558 HydrophobicContact CE1-CG2 4.06Å; F551-V558 HydrophobicContact CE2-CB 4.07Å; F551-V558 HydrophobicContact CE2-CG2 3.51Å; F551-V558 HydrophobicContact CG-CB 4.19Å; F551-V558 HydrophobicContact CG-CG2 4.42Å; F551-V558 HydrophobicContact CZ-CB 3.85Å; F551-V558 HydrophobicContact CZ-CG1 3.87Å; F551-V558 HydrophobicContact CZ-CG2 3.59Å; F551-V558 PolarHBondContact N-O 3.26Å; F551-V558 VanDerWaalsContact N-O 3.13Å; F551-V558 WeakPolarHBondContact O-CA 3.38Å; F551-V558 WeakPolarHBondContact O-CB 3.44Å; F551-V558 PolarHBondContact O-N 3.04Å; F551-V657 CarbonylContact C-O 3.57Å; F551-V657 VanDerWaalsContact CA-O 3.24Å; F551-V657 WeakPolarHBondContact CA-O 3.33Å; F551-P661 HydrophobicContact CB-CB 4.12Å; F551-P661 HydrophobicContact CD1-CB 4.1Å; F551-P661 HydrophobicContact CD2-CB 3.71Å; F551-P661 HydrophobicContact CD2-CG 3.73Å; F551-P661 HydrophobicContact CE1-CB 4.39Å; F551-P661 HydrophobicContact CE2-CB 4.03Å; F551-P661 HydrophobicContact CE2-CG 3.83Å; F551-P661 HydrophobicContact CG-CB 3.72Å; F551-P661 HydrophobicContact CG-CG 4.27Å; F551-P661 HydrophobicContact CZ-CB 4.35Å; F551-P661 HydrophobicContact CZ-CG 4.45Å
552R96.8Very high82.5Confident98 Ų9838.5 Ų38.537%0.3719%0.192SC..EExtended strand (participates in β ladder)trans-120.8132.4173.6179.7175.3-95-168.5-8.4110.5I556 V657 E659 L660R552-I556 WeakPolarHBondContact CA-O 3.4Å; R552-V657 PolarHBondContact N-O 3.46Å; R552-E659 PolarHBondContact N-O 3.23Å; R552-L660 WeakPolarHBondContact O-CA 3.37Å
553Y97.6Very high84Confident19 Ų1937.1 Ų37.18%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-139.9132.6175.5-178-87000110.4V517 Y522 N555 I556 L660 S737V517-Y553 HydrophobicContact CG1-CD1 3.87Å; V517-Y553 HydrophobicContact CG1-CD2 3.98Å; V517-Y553 HydrophobicContact CG1-CE1 3.57Å; V517-Y553 HydrophobicContact CG1-CE2 3.68Å; V517-Y553 HydrophobicContact CG1-CG 4.07Å; V517-Y553 VanDerWaalsContact CG1-CZ 3.46Å; V517-Y553 HydrophobicContact CG2-CD2 4.33Å; V517-Y553 HydrophobicContact CG2-CG 4.43Å; Y522-Y553 AromaticContact CD1-CD1 3.48Å; Y522-Y553 HydrophobicContact CD1-CD1 3.48Å; Y522-Y553 VanDerWaalsContact CD1-CD1 3.48Å; Y522-Y553 HydrophobicContact CD1-CE1 4.29Å; Y522-Y553 HydrophobicContact CD1-CG 4.37Å; Y522-Y553 AromaticContact CD2-CD1 3.76Å; Y522-Y553 HydrophobicContact CD2-CD1 3.76Å; Y522-Y553 AromaticContact CD2-CE1 3.94Å; Y522-Y553 HydrophobicContact CD2-CE1 3.94Å; Y522-Y553 AromaticContact CE1-CD1 3.77Å; Y522-Y553 HydrophobicContact CE1-CD1 3.77Å; Y522-Y553 HydrophobicContact CE1-CG 4.26Å; Y522-Y553 HydrophobicContact CE2-CD1 4.03Å; Y522-Y553 HydrophobicContact CE2-CE1 4.49Å; Y522-Y553 AromaticContact CG-CD1 3.47Å; Y522-Y553 HydrophobicContact CG-CD1 3.47Å; Y522-Y553 VanDerWaalsContact CG-CD1 3.47Å; Y522-Y553 AromaticContact CG-CE1 3.82Å; Y522-Y553 HydrophobicContact CG-CE1 3.82Å; Y553-N555 PolarHBondContact O-N 2.88Å; Y553-I556 PolarHBondContact N-O 3.15Å; Y553-I556 WeakPolarHBondContact O-CB 3.49Å; Y553-I556 PolarHBondContact O-N 3.42Å; Y553-L660 HydrophobicContact CD2-CD2 3.86Å; Y553-S737 VanDerWaalsContact CE2-O 3.24Å; Y553-S737 WeakPolarHBondContact CE2-O 3.5Å; Y553-S737 PolarHBondContact OH-O 2.98Å
554N95Very high85.7Confident61 Ų6128.1 Ų28.133%0.32615%0.15SC..THydrogen-bonded Turntrans48.143.3-177.7-160.327.1000113.6I556N554-I556 PolarHBondContact O-N 2.95Å; N554-I556 VanDerWaalsContact O-N 3.13Å
555N94.8Very high87.3Confident124 Ų12426 Ų2666%0.66314%0.138SC*.THydrogen-bonded Turntrans61.19.6-174.2-64.3-26.8000116.5Y553Y553-N555 PolarHBondContact O-N 2.88Å
556I97.8Very high89.2Confident1 Ų124 Ų241%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-94.9124.1171.7-53.7-169.6000108.6Y522 W525 V531 N532 T534 R552 Y553 N554Y522-I556 HydrophobicContact CD1-CB 3.99Å; Y522-I556 HydrophobicContact CD1-CD1 3.83Å; Y522-I556 HydrophobicContact CD1-CG1 4.16Å; Y522-I556 HydrophobicContact CE1-CB 4.21Å; Y522-I556 HydrophobicContact CE1-CG2 4.46Å; W525-I556 HydrophobicContact CB-CD1 3.99Å; W525-I556 HydrophobicContact CE3-CD1 4.24Å; V531-I556 HydrophobicContact CG1-CD1 4.28Å; V531-I556 HydrophobicContact CG1-CG2 4.3Å; V531-I556 VanDerWaalsContact O-CD1 3.31Å; V531-I556 WeakPolarHBondContact O-CD1 3.05Å; V531-I556 WeakPolarHBondContact O-CG1 3.45Å; N532-I556 CarbonylContact O-C 3.53Å; N532-I556 WeakPolarHBondContact O-CA 3.47Å; T534-I556 HydrophobicContact CG2-CG2 3.97Å; R552-I556 WeakPolarHBondContact CA-O 3.4Å; Y553-I556 PolarHBondContact N-O 3.15Å; Y553-I556 WeakPolarHBondContact O-CB 3.49Å; Y553-I556 PolarHBondContact O-N 3.42Å; N554-I556 PolarHBondContact O-N 2.95Å; N554-I556 VanDerWaalsContact O-N 3.13Å
557Q97.7Very high90.5Very high4 Ų426 Ų262%0.01913%0.128CC..EExtended strand (participates in β ladder)trans-78.6122173.2-172.262.350.700109.5N532 V533 T534 F551 L559 A645 S649 V657N532-Q557 PolarHBondContact O-N 3.41Å; V533-Q557 CarbonylContact C-O 3.55Å; V533-Q557 VanDerWaalsContact CA-O 3.3Å; V533-Q557 WeakPolarHBondContact CA-O 3.45Å; T534-Q557 PolarHBondContact N-O 2.87Å; F551-Q557 PolarHBondContact O-NE2 3.37Å; F551-Q557 VanDerWaalsContact O-NE2 3.07Å; Q557-L559 HydrophobicContact CG-CD2 3.83Å; Q557-A645 HydrophobicContact CB-CB 4.37Å; Q557-A645 HydrophobicContact CG-CB 4.16Å; Q557-S649 VanDerWaalsContact CD-OG 3.25Å; Q557-S649 PolarHBondContact OE1-OG 2.9Å; Q557-V657 PolarHBondContact NE2-O 2.93Å
558V97.4Very high91.4Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-99.9119.2175.2-173.10000108.5V514 Y522 T534 T536 G550 F551V514-V558 HydrophobicContact CG1-CG1 3.77Å; V514-V558 HydrophobicContact CG1-CG2 4.37Å; Y522-V558 HydrophobicContact CE1-CG2 4.14Å; T534-V558 HydrophobicContact CG2-CB 4.25Å; T534-V558 HydrophobicContact CG2-CG1 4.16Å; T534-V558 HydrophobicContact CG2-CG2 3.72Å; T534-V558 WeakPolarHBondContact O-CA 3.45Å; T536-V558 HydrophobicContact CG2-CG1 3.66Å; G550-V558 CarbonylContact C-O 3.48Å; G550-V558 WeakPolarHBondContact CA-O 3.25Å; F551-V558 HydrophobicContact CD1-CB 3.92Å; F551-V558 HydrophobicContact CD1-CG1 4.13Å; F551-V558 HydrophobicContact CD1-CG2 4.43Å; F551-V558 HydrophobicContact CD2-CB 4.23Å; F551-V558 HydrophobicContact CD2-CG2 3.95Å; F551-V558 HydrophobicContact CE1-CB 3.76Å; F551-V558 HydrophobicContact CE1-CG1 3.6Å; F551-V558 HydrophobicContact CE1-CG2 4.06Å; F551-V558 HydrophobicContact CE2-CB 4.07Å; F551-V558 HydrophobicContact CE2-CG2 3.51Å; F551-V558 HydrophobicContact CG-CB 4.19Å; F551-V558 HydrophobicContact CG-CG2 4.42Å; F551-V558 HydrophobicContact CZ-CB 3.85Å; F551-V558 HydrophobicContact CZ-CG1 3.87Å; F551-V558 HydrophobicContact CZ-CG2 3.59Å; F551-V558 PolarHBondContact N-O 3.26Å; F551-V558 VanDerWaalsContact N-O 3.13Å; F551-V558 WeakPolarHBondContact O-CA 3.38Å; F551-V558 WeakPolarHBondContact O-CB 3.44Å; F551-V558 PolarHBondContact O-N 3.04Å
559L95.7Very high91.8Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-92.8148.5179.7-53.4-179.9000111.6V533 T534 S535 T536 Q557 R561 I603 L644 A645 Y648V533-L559 HydrophobicContact CG1-CD1 3.67Å; V533-L559 HydrophobicContact CG1-CG 3.94Å; T534-L559 PolarHBondContact O-N 3.16Å; S535-L559 VanDerWaalsContact CA-O 3.24Å; S535-L559 WeakPolarHBondContact CA-O 3.38Å; S535-L559 WeakPolarHBondContact CB-O 3.5Å; T536-L559 PolarHBondContact N-O 2.97Å; T536-L559 VanDerWaalsContact N-O 3.1Å; Q557-L559 HydrophobicContact CG-CD2 3.83Å; L559-R561 PolarHBondContact O-N 3.2Å; L559-I603 HydrophobicContact CB-CD1 3.35Å; L559-I603 HydrophobicContact CD1-CD1 3.53Å; L559-I603 HydrophobicContact CG-CD1 4.07Å; L559-L644 HydrophobicContact CD1-CG 4.49Å; L559-A645 HydrophobicContact CD1-CB 4.15Å; L559-A645 HydrophobicContact CD2-CB 3.99Å; L559-A645 HydrophobicContact CG-CB 4.47Å; L559-Y648 HydrophobicContact CD2-CD1 3.69Å; L559-Y648 HydrophobicContact CD2-CG 4.04Å
560P92.2Very high91.9Very high2 Ų231 Ų311%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-72.8111.5176.131.2-36000110.4H548 Y648H548-P560 HydrophobicContact CB-CB 3.56Å; H548-P560 WeakPolarHBondContact O-CB 3.48Å; P560-Y648 VanDerWaalsContact CD-CE1 3.48Å; P560-Y648 HydrophobicContact CG-CD2 4.5Å; P560-Y648 HydrophobicContact CG-CE1 4.13Å; P560-Y648 HydrophobicContact CG-CE2 3.64Å; P560-Y648 VanDerWaalsContact CG-CZ 3.46Å; P560-Y648 WeakPolarHBondContact CG-OH 3.31Å
561R92.9Very high91.4Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-93.5148.1172.1-156.9179.8-172.1-170.1-14.4109.5D396 D398 H511 S535 T536 I537 L559 I603 M605D396-R561 PolarHBondContact O-NH2 2.99Å; D396-R561 IonicContact OD2-CZ 3.81Å; D396-R561 IonicContact OD2-NE 2.92Å; D398-R561 VanDerWaalsContact CG-NH1 3.33Å; D398-R561 IonicContact OD1-CZ 3.98Å; D398-R561 VanDerWaalsContact OD1-CZ 3.3Å; D398-R561 IonicContact OD1-NH1 2.7Å; D398-R561 PolarHBondContact OD1-NH1 2.9Å; D398-R561 IonicContact OD1-NH2 3.97Å; D398-R561 PolarHBondContact OD1-NH2 3.28Å; D398-R561 IonicContact OD2-CZ 2.79Å; D398-R561 IonicContact OD2-NH1 2.89Å; D398-R561 PolarHBondContact OD2-NH1 3.47Å; D398-R561 IonicContact OD2-NH2 3.75Å; D398-R561 PolarHBondContact OD2-NH2 2.89Å; H511-R561 WeakPolarHBondContact CE1-CD 3.49Å; H511-R561 PolarHBondContact CE1-NH1 3.01Å; H511-R561 VanDerWaalsContact CE1-NH1 3.31Å; S535-R561 WeakPolarHBondContact OG-CD 3.34Å; T536-R561 PolarHBondContact O-N 3.45Å; I537-R561 WeakPolarHBondContact CA-O 3.34Å; I537-R561 HydrophobicContact CG2-CB 3.77Å; I537-R561 HydrophobicContact CG2-CG 4.06Å; L559-R561 PolarHBondContact O-N 3.2Å; R561-I603 CarbonylContact C-O 3.55Å; R561-I603 WeakPolarHBondContact CA-O 3.35Å; R561-I603 HydrophobicContact CG-CB 4.35Å; R561-I603 HydrophobicContact CG-CG2 3.96Å; R561-I603 WeakPolarHBondContact CG-O 3.43Å; R561-M605 HydrophobicContact CG-CB 4.22Å
562Q87.9Confident91Very high11 Ų1133.6 Ų33.65%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-128.5152.1-175.5-67.2160.5700110.3N599 S602 I603 F604 M605Q562-N599 PolarHBondContact NE2-ND2 3.13Å; Q562-S602 PolarHBondContact OE1-OG 2.9Å; Q562-I603 PolarHBondContact N-O 3.46Å; Q562-F604 HydrophobicContact CB-CD1 4.27Å; Q562-F604 HydrophobicContact CB-CE1 4.35Å; Q562-F604 WeakPolarHBondContact O-CA 3.47Å; Q562-M605 PolarHBondContact O-N 2.87Å
563T88.7Confident90.3Very high33 Ų3329.4 Ų29.420%0.20215%0.152CC..EExtended strand (participates in β ladder)trans-83.6162.6167.867.20000109.7I537 Y567I537-T563 HydrophobicContact CD1-CG2 4.4Å; T563-Y567 HydrophobicContact CG2-CE1 4.07Å
564C88.9Confident89.7Confident0 Ų033.8 Ų33.80%017%0.173CC..  trans-121.226.417758.70000112.3I566 Y586 L592 F604 M605 T606 L620 F621C564-I566 PolarHBondContact O-N 3.21Å; C564-I566 VanDerWaalsContact SG-CG1 3.53Å; C564-Y586 VanDerWaalsContact C-CE1 3.44Å; C564-Y586 WeakPolarHBondContact O-CE1 3.42Å; C564-L592 HydrophobicContact CB-CD1 4.42Å; C564-F604 HydrophobicContact CB-CD1 3.95Å; C564-M605 PolarHBondContact SG-O 3.47Å; C564-T606 WeakPolarHBondContact SG-CG2 3.46Å; C564-L620 HydrophobicContact CB-CD1 4.49Å; C564-L620 HydrophobicContact CB-CD2 4.08Å; C564-L620 WeakPolarHBondContact O-CD1 3.47Å; C564-F621 HydrophobicContact CB-CZ 4.36Å
565G86.8Confident89.3Confident20 Ų2033.8 Ų33.821%0.20617%0.173CC..SBendtrans78.6-6.617700000115.7
566I88.7Confident88.9Confident2 Ų228.4 Ų28.41%0.0114%0.144CC..  trans-115.6144.4170.357.8178.8000110.1C564 T570 L583 T606 N610 L616 A617C564-I566 PolarHBondContact O-N 3.21Å; C564-I566 VanDerWaalsContact SG-CG1 3.53Å; I566-T570 HydrophobicContact CB-CG2 4.5Å; I566-T570 HydrophobicContact CG2-CG2 4.3Å; I566-L583 HydrophobicContact CG2-CD1 4.21Å; I566-T606 HydrophobicContact CD1-CG2 4.46Å; I566-N610 HydrophobicContact CD1-CB 4Å; I566-L616 HydrophobicContact CG2-CB 4.46Å; I566-A617 VanDerWaalsContact CD1-CA 3.46Å; I566-A617 HydrophobicContact CD1-CB 3.68Å
567Y88.7Confident88.1Confident94 Ų9439.1 Ų39.137%0.36919%0.185SC..  trans-130176.4-172.9-54.8-84000110.7T563 H569 T570 N610T563-Y567 HydrophobicContact CG2-CE1 4.07Å; Y567-H569 PolarHBondContact O-N 2.8Å; Y567-T570 PolarHBondContact N-OG1 3.05Å; Y567-T570 WeakPolarHBondContact O-CB 3.48Å; Y567-T570 PolarHBondContact O-N 3.49Å; Y567-T570 PolarHBondContact O-OG1 2.88Å; Y567-N610 PolarHBondContact O-ND2 3.49Å
568T85.3Confident87.4Confident49 Ų4941.7 Ų41.730%0.30121%0.212SC..THydrogen-bonded Turntrans-52.3-44.2178.3-32.10000111.9T570 H607 V609T568-T570 PolarHBondContact O-N 2.95Å; T568-T570 VanDerWaalsContact O-N 3.13Å; T568-H607 HydrophobicContact CG2-CB 4.49Å; T568-H607 PolarHBondContact N-ND1 3.24Å; T568-H607 PolarHBondContact OG1-CD2 2.96Å; T568-H607 VanDerWaalsContact OG1-CD2 3.3Å; T568-H607 PolarHBondContact OG1-CE1 2.78Å; T568-H607 PolarHBondContact OG1-NE2 3.25Å; T568-V609 HydrophobicContact CG2-CG2 4.17Å; T568-V609 VanDerWaalsContact O-CG2 3.31Å; T568-V609 WeakPolarHBondContact O-CG2 3.35Å
569H83.2Confident86.9Confident131 Ų13142.9 Ų42.961%0.60622%0.224SC*.THydrogen-bonded Turntrans-81.921.2179.164-85.6000113.6Y567 P571 D575Y567-H569 PolarHBondContact O-N 2.8Å; H569-P571 WeakPolarHBondContact O-CD 3.4Å; H569-D575 WeakPolarHBondContact O-CB 3.37Å
570T86Confident86.3Confident2 Ų243.6 Ų43.61%0.01223%0.228CC..  trans-118.561.4178.7-39.90000111.6I566 Y567 T568 D575 I576 N610 L616I566-T570 HydrophobicContact CB-CG2 4.5Å; I566-T570 HydrophobicContact CG2-CG2 4.3Å; Y567-T570 PolarHBondContact N-OG1 3.05Å; Y567-T570 WeakPolarHBondContact O-CB 3.48Å; Y567-T570 PolarHBondContact O-N 3.49Å; Y567-T570 PolarHBondContact O-OG1 2.88Å; T568-T570 PolarHBondContact O-N 2.95Å; T568-T570 VanDerWaalsContact O-N 3.13Å; T570-D575 HydrophobicContact CG2-CB 4.13Å; T570-I576 HydrophobicContact CG2-CB 4.28Å; T570-I576 HydrophobicContact CG2-CG1 3.47Å; T570-I576 VanDerWaalsContact CG2-CG1 3.47Å; T570-N610 PolarHBondContact O-ND2 3.32Å; T570-L616 HydrophobicContact CG2-CD1 4.03Å
571P82.4Confident85.8Confident7 Ų747.8 Ų47.85%0.04525%0.246CC..SBendtrans-75.2-2717528.5-33.5000113.6A407 H569 D575A407-P571 HydrophobicContact CB-CB 4.2Å; H569-P571 WeakPolarHBondContact O-CD 3.4Å; P571-D575 WeakPolarHBondContact CD-OD2 3.32Å; P571-D575 VanDerWaalsContact CG-OD2 3.29Å; P571-D575 WeakPolarHBondContact CG-OD2 3.44Å
572H85.7Confident85.3Confident48 Ų4852.6 Ų52.622%0.22227%0.269CS..SBendtrans-125.8157.6-175.4-59.5-71.6000113.6E574 D575 N613 D614H572-E574 HydrophobicContact CB-CG 3.82Å; H572-E574 PolarHBondContact O-N 2.89Å; H572-D575 WeakPolarHBondContact CA-OD2 3.33Å; H572-D575 VanDerWaalsContact CB-OD2 3.31Å; H572-D575 WeakPolarHBondContact CB-OD2 3.23Å; H572-D575 IonicContact CD2-OD2 3.49Å; H572-D575 IonicContact CG-OD2 3.04Å; H572-D575 PolarHBondContact N-OD2 3.17Å; H572-D575 WeakPolarHBondContact O-CB 3.42Å; H572-D575 PolarHBondContact O-N 3.41Å; H572-N613 VanDerWaalsContact CE1-CB 3.46Å; H572-N613 WeakPolarHBondContact CE1-CB 3.41Å; H572-N613 VanDerWaalsContact CE1-CG 3.42Å; H572-N613 PolarHBondContact CE1-ND2 3.2Å; H572-N613 PolarHBondContact NE2-ND2 2.95Å; H572-D614 IonicContact CE1-OD2 2.65Å; H572-D614 IonicContact CG-OD2 3.52Å; H572-D614 IonicContact ND1-OD2 2.82Å; H572-D614 PolarHBondContact ND1-OD2 2.96Å
573P83.2Confident85.3Confident10 Ų1052.3 Ų52.37%0.06527%0.267CS..G310 helixtrans-51.9-35.9176.6-31.537.1000115K44 D575 I576 M580 D614 L616K44-P573 HydrophobicContact CB-CG 3.96Å; K44-P573 HydrophobicContact CD-CG 4.49Å; P573-D575 VanDerWaalsContact C-N 3.28Å; P573-D575 PolarHBondContact O-N 3.04Å; P573-I576 PolarHBondContact O-N 3.07Å; P573-M580 HydrophobicContact CB-CG 3.65Å; P573-M580 HydrophobicContact CB-SD 3.99Å; P573-M580 HydrophobicContact CG-SD 4.43Å; P573-D614 VanDerWaalsContact CD-OD2 3.22Å; P573-D614 WeakPolarHBondContact CD-OD2 3.38Å; P573-D614 HydrophobicContact CG-CB 4.38Å; P573-L616 HydrophobicContact CG-CD2 4.2Å
574E85.8Confident85Confident110 Ų11053.2 Ų53.251%0.51427%0.27SS..G310 helixtrans-66.4-24176.745-95.7-143.600114.3K44 H572 I576K44-E574 IonicContact NZ-OE1 3.34Å; K44-E574 PolarHBondContact NZ-OE1 2.83Å; K44-E574 IonicContact NZ-OE2 3.3Å; K44-E574 PolarHBondContact NZ-OE2 2.94Å; H572-E574 HydrophobicContact CB-CG 3.82Å; H572-E574 PolarHBondContact O-N 2.89Å; E574-I576 VanDerWaalsContact C-N 3.32Å
575D86Confident84.7Confident62 Ų6258 Ų5833%0.33229%0.293SS..G310 helixtrans-84.2-11.7-178.7-54.6-43.7000112.6H569 T570 P571 H572 P573 R577H569-D575 WeakPolarHBondContact O-CB 3.37Å; T570-D575 HydrophobicContact CG2-CB 4.13Å; P571-D575 WeakPolarHBondContact CD-OD2 3.32Å; P571-D575 VanDerWaalsContact CG-OD2 3.29Å; P571-D575 WeakPolarHBondContact CG-OD2 3.44Å; H572-D575 WeakPolarHBondContact CA-OD2 3.33Å; H572-D575 VanDerWaalsContact CB-OD2 3.31Å; H572-D575 WeakPolarHBondContact CB-OD2 3.23Å; H572-D575 IonicContact CD2-OD2 3.49Å; H572-D575 IonicContact CG-OD2 3.04Å; H572-D575 PolarHBondContact N-OD2 3.17Å; H572-D575 WeakPolarHBondContact O-CB 3.42Å; H572-D575 PolarHBondContact O-N 3.41Å; P573-D575 VanDerWaalsContact C-N 3.28Å; P573-D575 PolarHBondContact O-N 3.04Å; D575-R577 PolarHBondContact O-N 2.67Å
576I85.9Confident84.7Confident11 Ų1158.6 Ų58.66%0.05629%0.289CS..SBendtrans-67.7121.2178-61.2165.1000108T570 P573 E574 G578 G579 M580 L583 L616T570-I576 HydrophobicContact CG2-CB 4.28Å; T570-I576 HydrophobicContact CG2-CG1 3.47Å; T570-I576 VanDerWaalsContact CG2-CG1 3.47Å; P573-I576 PolarHBondContact O-N 3.07Å; E574-I576 VanDerWaalsContact C-N 3.32Å; I576-G578 PolarHBondContact O-N 2.88Å; I576-G578 VanDerWaalsContact O-N 3.1Å; I576-G579 WeakPolarHBondContact CG2-O 3.34Å; I576-G579 WeakPolarHBondContact O-CA 3.2Å; I576-G579 PolarHBondContact O-N 3.29Å; I576-M580 HydrophobicContact CD1-CG 4.21Å; I576-M580 HydrophobicContact CD1-SD 3.37Å; I576-M580 WeakPolarHBondContact CD1-SD 3.5Å; I576-L583 HydrophobicContact CD1-CB 4.26Å; I576-L583 HydrophobicContact CD1-CD2 3.71Å; I576-L583 HydrophobicContact CG2-CB 4.34Å; I576-L616 HydrophobicContact CD1-CD1 4.03Å; I576-L616 HydrophobicContact CD1-CD2 4.38Å; I576-L616 HydrophobicContact CG1-CD1 4.15Å
577R81Confident84.6Confident226 Ų22658.5 Ų58.585%0.85329%0.288SS*.THydrogen-bonded Turntrans-57.8118.9171.2-172177.2-179.5-179.70.6109.3D575 G579 Q582D575-R577 PolarHBondContact O-N 2.67Å; R577-G579 VanDerWaalsContact C-N 3.29Å; R577-Q582 PolarHBondContact O-OE1 3.27Å
578G82.8Confident84.4Confident58 Ų5856 Ų5660%0.59828%0.28SS*.THydrogen-bonded Turntrans76.67.3-17400000115.8I576 Q582I576-G578 PolarHBondContact O-N 2.88Å; I576-G578 VanDerWaalsContact O-N 3.1Å; G578-Q582 VanDerWaalsContact CA-OE1 3.25Å
579G86.4Confident84.1Confident25 Ų2554.1 Ų54.126%0.25827%0.27SS..Hα-helixtrans72.2-178.3171.300000114.9I576 R577 K581 Q582 L583I576-G579 WeakPolarHBondContact CG2-O 3.34Å; I576-G579 WeakPolarHBondContact O-CA 3.2Å; I576-G579 PolarHBondContact O-N 3.29Å; R577-G579 VanDerWaalsContact C-N 3.29Å; G579-K581 PolarHBondContact O-N 3.39Å; G579-K581 VanDerWaalsContact O-N 3.17Å; G579-Q582 PolarHBondContact O-N 3.15Å; G579-Q582 VanDerWaalsContact O-N 3.1Å; G579-L583 PolarHBondContact O-N 2.89Å
580M84.8Confident84.1Confident15 Ų1548.8 Ų48.87%0.07425%0.25CS..Hα-helixtrans-58-30.1-178.8-77.9-64.2-65.200114.1F48 P573 I576 L583 I584 L616 Y619F48-M580 HydrophobicContact CB-CE 4.11Å; F48-M580 HydrophobicContact CD1-CB 4.42Å; F48-M580 HydrophobicContact CD1-CE 4.11Å; F48-M580 HydrophobicContact CD2-CE 3.31Å; F48-M580 HydrophobicContact CD2-CG 4.36Å; F48-M580 HydrophobicContact CD2-SD 4.47Å; F48-M580 HydrophobicContact CE1-CB 3.77Å; F48-M580 HydrophobicContact CE1-CE 4.38Å; F48-M580 HydrophobicContact CE1-CG 4.13Å; F48-M580 HydrophobicContact CE2-CB 4.24Å; F48-M580 HydrophobicContact CE2-CE 3.64Å; F48-M580 HydrophobicContact CE2-CG 3.67Å; F48-M580 HydrophobicContact CE2-SD 4.25Å; F48-M580 HydrophobicContact CG-CE 3.56Å; F48-M580 HydrophobicContact CZ-CB 3.67Å; F48-M580 HydrophobicContact CZ-CE 4.17Å; F48-M580 HydrophobicContact CZ-CG 3.54Å; P573-M580 HydrophobicContact CB-CG 3.65Å; P573-M580 HydrophobicContact CB-SD 3.99Å; P573-M580 HydrophobicContact CG-SD 4.43Å; I576-M580 HydrophobicContact CD1-CG 4.21Å; I576-M580 HydrophobicContact CD1-SD 3.37Å; I576-M580 WeakPolarHBondContact CD1-SD 3.5Å; M580-L583 HydrophobicContact CE-CD2 4.44Å; M580-L583 PolarHBondContact O-N 3.29Å; M580-L583 HydrophobicContact SD-CD2 4.08Å; M580-I584 WeakPolarHBondContact O-CB 3.34Å; M580-I584 VanDerWaalsContact O-CG1 3.25Å; M580-I584 WeakPolarHBondContact O-CG1 3.24Å; M580-I584 PolarHBondContact O-N 3.22Å; M580-L616 HydrophobicContact SD-CD2 4.26Å; M580-Y619 HydrophobicContact CE-CD1 4.36Å; M580-Y619 HydrophobicContact CE-CE1 3.83Å
581K81.6Confident84Confident89 Ų8951.2 Ų51.239%0.38726%0.261SS..Hα-helixtrans-59.8-47.9176.1-173.5-179.8-178.8-178.80110.7E239 G579 L583 I584 E585E239-K581 WeakPolarHBondContact OE2-CE 3.17Å; E239-K581 IonicContact OE2-NZ 2.7Å; G579-K581 PolarHBondContact O-N 3.39Å; G579-K581 VanDerWaalsContact O-N 3.17Å; K581-L583 VanDerWaalsContact C-N 3.32Å; K581-L583 PolarHBondContact O-N 2.99Å; K581-I584 PolarHBondContact O-N 3.39Å; K581-E585 WeakPolarHBondContact CE-OE1 3.42Å; K581-E585 WeakPolarHBondContact O-CG 3.46Å; K581-E585 PolarHBondContact O-N 2.96Å
582Q82.3Confident84.4Confident102 Ų10250.9 Ų50.948%0.47726%0.259SS..Hα-helixtrans-64.6-37.4178.1-173.3170.113.700111.8R577 G578 G579 E585 Y586R577-Q582 PolarHBondContact O-OE1 3.27Å; G578-Q582 VanDerWaalsContact CA-OE1 3.25Å; G579-Q582 PolarHBondContact O-N 3.15Å; G579-Q582 VanDerWaalsContact O-N 3.1Å; Q582-E585 PolarHBondContact O-N 3.44Å; Q582-Y586 VanDerWaalsContact O-CB 3.26Å; Q582-Y586 WeakPolarHBondContact O-CB 3.48Å; Q582-Y586 PolarHBondContact O-N 2.93Å
583L86Confident84.6Confident4 Ų448.6 Ų48.62%0.02125%0.249CC..Hα-helixtrans-63.2-42.7175.2-169.565.7000112.1I566 I576 G579 M580 K581 Y586 I587 Y619 L620I566-L583 HydrophobicContact CG2-CD1 4.21Å; I576-L583 HydrophobicContact CD1-CB 4.26Å; I576-L583 HydrophobicContact CD1-CD2 3.71Å; I576-L583 HydrophobicContact CG2-CB 4.34Å; G579-L583 PolarHBondContact O-N 2.89Å; M580-L583 HydrophobicContact CE-CD2 4.44Å; M580-L583 PolarHBondContact O-N 3.29Å; M580-L583 HydrophobicContact SD-CD2 4.08Å; K581-L583 VanDerWaalsContact C-N 3.32Å; K581-L583 PolarHBondContact O-N 2.99Å; L583-Y586 WeakPolarHBondContact O-CB 3.38Å; L583-Y586 PolarHBondContact O-N 3.38Å; L583-I587 HydrophobicContact CG-CD1 4.04Å; L583-I587 WeakPolarHBondContact O-CD1 3.45Å; L583-I587 VanDerWaalsContact O-CG1 3.26Å; L583-I587 WeakPolarHBondContact O-CG1 3.43Å; L583-I587 PolarHBondContact O-N 2.91Å; L583-Y619 HydrophobicContact CD2-CD1 4.36Å; L583-Y619 HydrophobicContact CD2-CE1 4.31Å; L583-L620 HydrophobicContact CD1-CD1 3.72Å
584I84.4Confident84.9Confident52 Ų5249.5 Ų49.527%0.26725%0.252SS..Hα-helixtrans-63.3-45.6176.7-71.7168.9000110.1F48 M580 K581 Y586 I587 F588F48-I584 HydrophobicContact CB-CD1 4.49Å; F48-I584 HydrophobicContact CD1-CD1 3.82Å; F48-I584 HydrophobicContact CG-CD1 4.43Å; M580-I584 WeakPolarHBondContact O-CB 3.34Å; M580-I584 VanDerWaalsContact O-CG1 3.25Å; M580-I584 WeakPolarHBondContact O-CG1 3.24Å; M580-I584 PolarHBondContact O-N 3.22Å; K581-I584 PolarHBondContact O-N 3.39Å; I584-Y586 VanDerWaalsContact C-N 3.3Å; I584-Y586 PolarHBondContact O-N 3.25Å; I584-I587 PolarHBondContact O-N 3.48Å; I584-F588 HydrophobicContact CB-CD2 4.42Å; I584-F588 HydrophobicContact CG2-CD2 3.64Å; I584-F588 HydrophobicContact CG2-CE2 4.1Å; I584-F588 VanDerWaalsContact O-CD2 3.31Å; I584-F588 WeakPolarHBondContact O-CD2 3.43Å; I584-F588 PolarHBondContact O-N 3.29Å
585E82.6Confident85Confident102 Ų10245 Ų4548%0.47723%0.232SC..Hα-helixtrans-62.2-38.4175.2-72.7173.7-179.200111.8K581 Q582 I587 G590K581-E585 WeakPolarHBondContact CE-OE1 3.42Å; K581-E585 WeakPolarHBondContact O-CG 3.46Å; K581-E585 PolarHBondContact O-N 2.96Å; Q582-E585 PolarHBondContact O-N 3.44Å; E585-I587 VanDerWaalsContact C-N 3.34Å; E585-I587 PolarHBondContact O-N 3.16Å; E585-G590 WeakPolarHBondContact O-CA 3.23Å; E585-G590 PolarHBondContact O-N 2.95Å; E585-G590 VanDerWaalsContact O-N 3.07Å
586Y84.9Confident85.2Confident32 Ų3242.1 Ų42.113%0.12522%0.216CC..Hα-helixtrans-61.7-41.4175.7-174.1-116.1000111.9C564 Q582 L583 I584 G590 E591 L592C564-Y586 VanDerWaalsContact C-CE1 3.44Å; C564-Y586 WeakPolarHBondContact O-CE1 3.42Å; Q582-Y586 VanDerWaalsContact O-CB 3.26Å; Q582-Y586 WeakPolarHBondContact O-CB 3.48Å; Q582-Y586 PolarHBondContact O-N 2.93Å; L583-Y586 WeakPolarHBondContact O-CB 3.38Å; L583-Y586 PolarHBondContact O-N 3.38Å; I584-Y586 VanDerWaalsContact C-N 3.3Å; I584-Y586 PolarHBondContact O-N 3.25Å; Y586-G590 CarbonylContact O-C 3.57Å; Y586-E591 HydrophobicContact CD2-CB 3.73Å; Y586-E591 HydrophobicContact CD2-CG 4.39Å; Y586-E591 HydrophobicContact CE2-CB 3.54Å; Y586-E591 HydrophobicContact CE2-CG 3.7Å; Y586-E591 PolarHBondContact O-N 3.22Å; Y586-L592 HydrophobicContact CD1-CB 3.68Å; Y586-L592 HydrophobicContact CD1-CD2 4.23Å; Y586-L592 HydrophobicContact CD1-CG 4.45Å; Y586-L592 HydrophobicContact CD2-CB 4.46Å; Y586-L592 HydrophobicContact CE1-CB 3.51Å; Y586-L592 HydrophobicContact CE1-CD1 4.01Å; Y586-L592 HydrophobicContact CE1-CD2 4.11Å; Y586-L592 HydrophobicContact CE1-CG 4.07Å; Y586-L592 HydrophobicContact CE2-CB 4.34Å; Y586-L592 HydrophobicContact CG-CB 4.14Å; Y586-L592 WeakPolarHBondContact O-CB 3.37Å; Y586-L592 PolarHBondContact O-N 2.79Å
587I86.8Confident85.4Confident0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-75.5-54.5179.4-66.3161.6000112L583 I584 E585 G589 L592 F593 Y619 L620 A623 I624L583-I587 HydrophobicContact CG-CD1 4.04Å; L583-I587 WeakPolarHBondContact O-CD1 3.45Å; L583-I587 VanDerWaalsContact O-CG1 3.26Å; L583-I587 WeakPolarHBondContact O-CG1 3.43Å; L583-I587 PolarHBondContact O-N 2.91Å; I584-I587 PolarHBondContact O-N 3.48Å; E585-I587 VanDerWaalsContact C-N 3.34Å; E585-I587 PolarHBondContact O-N 3.16Å; I587-G589 PolarHBondContact O-N 2.87Å; I587-G589 VanDerWaalsContact O-N 3.11Å; I587-L592 HydrophobicContact CG1-CD2 4.01Å; I587-F593 WeakPolarHBondContact O-CB 3.34Å; I587-Y619 HydrophobicContact CD1-CE1 4.02Å; I587-L620 HydrophobicContact CD1-CB 4.3Å; I587-L620 HydrophobicContact CD1-CD1 4.37Å; I587-L620 HydrophobicContact CD1-CG 4.09Å; I587-L620 HydrophobicContact CG1-CD1 4.41Å; I587-L620 HydrophobicContact CG1-CG 4.2Å; I587-A623 HydrophobicContact CD1-CB 4.39Å; I587-A623 HydrophobicContact CG2-CB 3.91Å; I587-I624 HydrophobicContact CG2-CB 4.12Å; I587-I624 HydrophobicContact CG2-CD1 4.38Å; I587-I624 WeakPolarHBondContact O-CD1 3.4Å
588F84.5Confident85.7Confident42 Ų4230.9 Ų30.918%0.18417%0.173CC..THydrogen-bonded Turntrans-90.783.3-169-64-69.3000110.6P50 I584 G590 A623 F627P50-F588 HydrophobicContact CB-CZ 4.12Å; I584-F588 HydrophobicContact CB-CD2 4.42Å; I584-F588 HydrophobicContact CG2-CD2 3.64Å; I584-F588 HydrophobicContact CG2-CE2 4.1Å; I584-F588 VanDerWaalsContact O-CD2 3.31Å; I584-F588 WeakPolarHBondContact O-CD2 3.43Å; I584-F588 PolarHBondContact O-N 3.29Å; F588-G590 VanDerWaalsContact C-N 3.27Å; F588-G590 PolarHBondContact O-N 3.13Å; F588-A623 HydrophobicContact CZ-CB 3.99Å; F588-F627 HydrophobicContact CD1-CB 4.26Å; F588-F627 HydrophobicContact CD1-CD1 4.4Å; F588-F627 AromaticContact CD1-CD2 3.57Å; F588-F627 HydrophobicContact CD1-CD2 3.57Å; F588-F627 AromaticContact CD1-CE2 3.92Å; F588-F627 HydrophobicContact CD1-CE2 3.92Å; F588-F627 AromaticContact CD1-CG 3.84Å; F588-F627 HydrophobicContact CD1-CG 3.84Å; F588-F627 HydrophobicContact CD1-CZ 4.46Å; F588-F627 HydrophobicContact CE1-CB 4.2Å; F588-F627 HydrophobicContact CE1-CD2 4.04Å; F588-F627 HydrophobicContact CE1-CG 4.25Å
589G79.5Confident85.9Confident9 Ų928.7 Ų28.79%0.09315%0.148CC..THydrogen-bonded Turntrans84.60.6174.900000115.2W340 I587W340-G589 VanDerWaalsContact CB-CA 3.48Å; I587-G589 PolarHBondContact O-N 2.87Å; I587-G589 VanDerWaalsContact O-N 3.11Å
590G84.4Confident85.9Confident19 Ų1927.6 Ų27.620%0.19614%0.136CC..SBendtrans-86.6-154.9170.200000113.1E585 Y586 F588 L592 F593 H594E585-G590 WeakPolarHBondContact O-CA 3.23Å; E585-G590 PolarHBondContact O-N 2.95Å; E585-G590 VanDerWaalsContact O-N 3.07Å; Y586-G590 CarbonylContact O-C 3.57Å; F588-G590 VanDerWaalsContact C-N 3.27Å; F588-G590 PolarHBondContact O-N 3.13Å; G590-L592 PolarHBondContact O-N 2.82Å; G590-F593 WeakPolarHBondContact O-CB 3Å; G590-F593 PolarHBondContact O-N 2.88Å; G590-H594 PolarHBondContact O-N 3.17Å
591E84Confident86.1Confident52 Ų5227.1 Ų27.124%0.24313%0.134CC..Hα-helixtrans-66.5-35-169.2176.6-179.2-176.500113.6S544 S545 Y586 F593 H594 T595S544-E591 WeakPolarHBondContact CB-OE1 3.36Å; S544-E591 PolarHBondContact OG-OE1 2.89Å; S545-E591 VanDerWaalsContact CA-OE1 3.23Å; S545-E591 WeakPolarHBondContact CA-OE1 3.4Å; S545-E591 WeakPolarHBondContact CB-OE1 3.47Å; S545-E591 PolarHBondContact N-OE1 3.1Å; Y586-E591 HydrophobicContact CD2-CB 3.73Å; Y586-E591 HydrophobicContact CD2-CG 4.39Å; Y586-E591 HydrophobicContact CE2-CB 3.54Å; Y586-E591 HydrophobicContact CE2-CG 3.7Å; Y586-E591 PolarHBondContact O-N 3.22Å; E591-F593 VanDerWaalsContact C-N 3.34Å; E591-F593 PolarHBondContact O-N 3.23Å; E591-H594 PolarHBondContact O-N 3.01Å; E591-T595 PolarHBondContact O-N 3.07Å; E591-T595 PolarHBondContact O-OG1 3.33Å; E591-T595 VanDerWaalsContact O-OG1 3.12Å
592L90.4Very high86.5Confident0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-64-42.4173.9-170.559.5000111.3C564 Y586 I587 G590 H594 T595 F596 F604 L620 I624C564-L592 HydrophobicContact CB-CD1 4.42Å; Y586-L592 HydrophobicContact CD1-CB 3.68Å; Y586-L592 HydrophobicContact CD1-CD2 4.23Å; Y586-L592 HydrophobicContact CD1-CG 4.45Å; Y586-L592 HydrophobicContact CD2-CB 4.46Å; Y586-L592 HydrophobicContact CE1-CB 3.51Å; Y586-L592 HydrophobicContact CE1-CD1 4.01Å; Y586-L592 HydrophobicContact CE1-CD2 4.11Å; Y586-L592 HydrophobicContact CE1-CG 4.07Å; Y586-L592 HydrophobicContact CE2-CB 4.34Å; Y586-L592 HydrophobicContact CG-CB 4.14Å; Y586-L592 WeakPolarHBondContact O-CB 3.37Å; Y586-L592 PolarHBondContact O-N 2.79Å; I587-L592 HydrophobicContact CG1-CD2 4.01Å; G590-L592 PolarHBondContact O-N 2.82Å; L592-H594 VanDerWaalsContact C-N 3.35Å; L592-T595 WeakPolarHBondContact O-CB 3.13Å; L592-T595 PolarHBondContact O-N 2.92Å; L592-F596 HydrophobicContact CD1-CD2 4.44Å; L592-F596 HydrophobicContact CD1-CE2 4.08Å; L592-F596 HydrophobicContact CG-CD2 4.38Å; L592-F596 HydrophobicContact CG-CE2 4.24Å; L592-F596 WeakPolarHBondContact O-CD2 3.47Å; L592-F596 PolarHBondContact O-N 3Å; L592-F604 HydrophobicContact CD1-CD1 4.4Å; L592-F604 HydrophobicContact CD1-CE1 3.56Å; L592-F604 HydrophobicContact CD1-CZ 3.93Å; L592-L620 HydrophobicContact CD2-CD1 4.14Å; L592-L620 HydrophobicContact CD2-CD2 3.69Å; L592-L620 HydrophobicContact CD2-CG 3.91Å; L592-I624 HydrophobicContact CD2-CB 4.11Å; L592-I624 HydrophobicContact CD2-CG1 4.2Å; L592-I624 HydrophobicContact CD2-CG2 4.24Å; L592-I624 HydrophobicContact CG-CD1 4.49Å; L592-I624 HydrophobicContact CG-CG1 4.17Å
593F90.3Very high87.1Confident0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-61.9-43174.5173.6-105.3000111.9W340 I344 I587 G590 E591 T595 F596 L597 I624 F627 M628 T632W340-F593 HydrophobicContact CE3-CE1 4.04Å; W340-F593 HydrophobicContact CE3-CZ 4.31Å; W340-F593 HydrophobicContact CZ3-CE1 4.17Å; W340-F593 AromaticContact CZ3-CZ 3.97Å; W340-F593 HydrophobicContact CZ3-CZ 3.97Å; I344-F593 HydrophobicContact CD1-CZ 4.46Å; I587-F593 WeakPolarHBondContact O-CB 3.34Å; G590-F593 WeakPolarHBondContact O-CB 3Å; G590-F593 PolarHBondContact O-N 2.88Å; E591-F593 VanDerWaalsContact C-N 3.34Å; E591-F593 PolarHBondContact O-N 3.23Å; F593-T595 VanDerWaalsContact C-N 3.28Å; F593-T595 PolarHBondContact O-N 3.32Å; F593-F596 PolarHBondContact O-N 3.12Å; F593-L597 HydrophobicContact CE1-CD2 3.92Å; F593-L597 HydrophobicContact CZ-CD2 4.35Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.24Å; F593-L597 PolarHBondContact O-N 2.64Å; F593-I624 HydrophobicContact CB-CD1 3.99Å; F593-I624 HydrophobicContact CD2-CD1 4.25Å; F593-F627 HydrophobicContact CB-CE1 4.39Å; F593-F627 HydrophobicContact CD1-CE1 4.39Å; F593-F627 AromaticContact CD2-CD1 3.48Å; F593-F627 HydrophobicContact CD2-CD1 3.48Å; F593-F627 VanDerWaalsContact CD2-CD1 3.48Å; F593-F627 AromaticContact CD2-CE1 3.37Å; F593-F627 HydrophobicContact CD2-CE1 3.37Å; F593-F627 AromaticContact CE2-CD1 3.83Å; F593-F627 HydrophobicContact CE2-CD1 3.83Å; F593-F627 AromaticContact CE2-CE1 3.57Å; F593-F627 HydrophobicContact CE2-CE1 3.57Å; F593-F627 HydrophobicContact CG-CD1 4.22Å; F593-F627 AromaticContact CG-CE1 3.81Å; F593-F627 HydrophobicContact CG-CE1 3.81Å; F593-F627 HydrophobicContact CZ-CE1 4.18Å; F593-M628 HydrophobicContact CD2-SD 3.44Å; F593-M628 WeakPolarHBondContact CD2-SD 3.35Å; F593-M628 HydrophobicContact CE2-SD 3.39Å; F593-M628 WeakPolarHBondContact CE2-SD 3.23Å; F593-T632 HydrophobicContact CE2-CG2 4.21Å; F593-T632 HydrophobicContact CZ-CG2 4.42Å
594H88.8Confident87.5Confident30 Ų3017.9 Ų17.914%0.1399%0.092CC..Hα-helixtrans-60.1-38.3175.3-68.1169.3000112.6S343 G590 E591 L592 L597 F598S343-H594 WeakPolarHBondContact CB-NE2 3.36Å; S343-H594 PolarHBondContact OG-CE1 3.08Å; S343-H594 PolarHBondContact OG-NE2 3.18Å; G590-H594 PolarHBondContact O-N 3.17Å; E591-H594 PolarHBondContact O-N 3.01Å; L592-H594 VanDerWaalsContact C-N 3.35Å; H594-L597 PolarHBondContact O-N 2.93Å; H594-F598 HydrophobicContact CB-CD2 3.95Å; H594-F598 HydrophobicContact CB-CE2 3.95Å; H594-F598 AromaticContact CG-CE2 4Å; H594-F598 WeakPolarHBondContact O-CD2 3.43Å; H594-F598 PolarHBondContact O-N 2.75Å
595T88.6Confident87.9Confident14 Ų1416.5 Ų16.59%0.0869%0.085CC..Hα-helixtrans-57.4-52.5174.4-670000111.3E591 L592 F593 L597 N599 S602 F604E591-T595 PolarHBondContact O-N 3.07Å; E591-T595 PolarHBondContact O-OG1 3.33Å; E591-T595 VanDerWaalsContact O-OG1 3.12Å; L592-T595 WeakPolarHBondContact O-CB 3.13Å; L592-T595 PolarHBondContact O-N 2.92Å; F593-T595 VanDerWaalsContact C-N 3.28Å; F593-T595 PolarHBondContact O-N 3.32Å; T595-L597 VanDerWaalsContact C-N 3.3Å; T595-L597 PolarHBondContact O-N 2.81Å; T595-N599 VanDerWaalsContact O-CB 3.22Å; T595-N599 WeakPolarHBondContact O-CB 3.4Å; T595-N599 PolarHBondContact O-N 2.92Å; T595-S602 WeakPolarHBondContact CG2-OG 3.33Å; T595-F604 HydrophobicContact CG2-CE1 4Å; T595-F604 HydrophobicContact CG2-CZ 3.66Å
596F90.3Very high88.5Confident3 Ų311.7 Ų11.71%0.0136%0.062CC..Hα-helixtrans-65.5-33.9176.2-80.8-84.6000113R391 V393 L592 F593 F604 I624 F625 M628 L636R391-F596 VanDerWaalsContact CD-O 3.25Å; R391-F596 WeakPolarHBondContact CD-O 3.4Å; R391-F596 WeakPolarHBondContact CG-O 3.44Å; R391-F596 PolarHBondContact NE-O 3.15Å; R391-F596 VanDerWaalsContact NE-O 3.14Å; V393-F596 HydrophobicContact CB-CE1 4.06Å; V393-F596 HydrophobicContact CG2-CE1 3.8Å; V393-F596 HydrophobicContact CG2-CZ 4.01Å; L592-F596 HydrophobicContact CD1-CD2 4.44Å; L592-F596 HydrophobicContact CD1-CE2 4.08Å; L592-F596 HydrophobicContact CG-CD2 4.38Å; L592-F596 HydrophobicContact CG-CE2 4.24Å; L592-F596 WeakPolarHBondContact O-CD2 3.47Å; L592-F596 PolarHBondContact O-N 3Å; F593-F596 PolarHBondContact O-N 3.12Å; F596-F604 HydrophobicContact CD2-CE2 4.4Å; F596-F604 HydrophobicContact CD2-CZ 4.06Å; F596-F604 AromaticContact CE1-CE2 3.93Å; F596-F604 HydrophobicContact CE1-CE2 3.93Å; F596-F604 HydrophobicContact CE2-CE1 4.43Å; F596-F604 AromaticContact CE2-CE2 3.52Å; F596-F604 HydrophobicContact CE2-CE2 3.52Å; F596-F604 AromaticContact CE2-CZ 3.42Å; F596-F604 HydrophobicContact CE2-CZ 3.42Å; F596-F604 VanDerWaalsContact CE2-CZ 3.42Å; F596-F604 HydrophobicContact CZ-CD2 4.12Å; F596-F604 AromaticContact CZ-CE2 3.23Å; F596-F604 HydrophobicContact CZ-CE2 3.23Å; F596-F604 AromaticContact CZ-CZ 3.69Å; F596-F604 HydrophobicContact CZ-CZ 3.69Å; F596-I624 HydrophobicContact CD2-CD1 4.35Å; F596-I624 HydrophobicContact CD2-CG1 3.59Å; F596-I624 HydrophobicContact CE2-CG1 3.75Å; F596-I624 HydrophobicContact CE2-CG2 3.99Å; F596-I624 HydrophobicContact CG-CG1 4.37Å; F596-I624 HydrophobicContact CZ-CG2 4.37Å; F596-F625 HydrophobicContact CE1-CD1 4.21Å; F596-F625 AromaticContact CE1-CE1 3.7Å; F596-F625 HydrophobicContact CE1-CE1 3.7Å; F596-F625 HydrophobicContact CZ-CD1 4.19Å; F596-F625 AromaticContact CZ-CE1 3.59Å; F596-F625 HydrophobicContact CZ-CE1 3.59Å; F596-M628 HydrophobicContact CB-CE 3.89Å; F596-M628 HydrophobicContact CB-CG 4.03Å; F596-M628 HydrophobicContact CB-SD 3.69Å; F596-M628 HydrophobicContact CG-CG 4.33Å; F596-L636 HydrophobicContact CD1-CD2 3.84Å; F596-L636 HydrophobicContact CE1-CD2 4.3Å
597L89.8Confident89Confident0 Ų010.8 Ų10.80%06%0.059CC..Hα-helixtrans-67.7-45.3-178.8179.859.9000111.5I344 L347 R391 F593 H594 T595 I634I344-L597 HydrophobicContact CB-CD1 4.19Å; I344-L597 HydrophobicContact CB-CD2 3.96Å; I344-L597 HydrophobicContact CD1-CD1 3.95Å; I344-L597 HydrophobicContact CG1-CD1 3.75Å; I344-L597 HydrophobicContact CG1-CD2 4.43Å; L347-L597 HydrophobicContact CD2-CD1 3.59Å; L347-L597 HydrophobicContact CD2-CG 4.03Å; R391-L597 PolarHBondContact NE-O 3.5Å; R391-L597 PolarHBondContact NH2-O 2.91Å; F593-L597 HydrophobicContact CE1-CD2 3.92Å; F593-L597 HydrophobicContact CZ-CD2 4.35Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.24Å; F593-L597 PolarHBondContact O-N 2.64Å; H594-L597 PolarHBondContact O-N 2.93Å; T595-L597 VanDerWaalsContact C-N 3.3Å; T595-L597 PolarHBondContact O-N 2.81Å; L597-I634 HydrophobicContact CD1-CD1 3.77Å
598F87.1Confident89.3Confident1 Ų111.1 Ų11.10%0.0046%0.061CC..Hα-helixtrans-105.3-26.2-169.3-56.1-57000114.9I110 V113 L114 L347 H594I110-F598 HydrophobicContact CB-CZ 4.48Å; I110-F598 HydrophobicContact CD1-CZ 4.38Å; I110-F598 HydrophobicContact CG1-CE2 4.25Å; I110-F598 HydrophobicContact CG1-CZ 4.03Å; I110-F598 HydrophobicContact CG2-CE1 4.08Å; I110-F598 HydrophobicContact CG2-CZ 3.88Å; V113-F598 HydrophobicContact CB-CB 4.37Å; V113-F598 HydrophobicContact CG1-CB 3.36Å; V113-F598 HydrophobicContact CG1-CD2 4.11Å; V113-F598 HydrophobicContact CG1-CG 3.99Å; L114-F598 HydrophobicContact CD2-CD1 3.74Å; L114-F598 HydrophobicContact CD2-CE1 4.3Å; L114-F598 HydrophobicContact CG-CD1 4.34Å; L347-F598 HydrophobicContact CB-CE1 4.21Å; L347-F598 HydrophobicContact CD1-CD1 4.48Å; L347-F598 HydrophobicContact CD1-CE1 4.38Å; L347-F598 HydrophobicContact CD2-CD1 4.4Å; L347-F598 HydrophobicContact CD2-CE1 4.31Å; H594-F598 HydrophobicContact CB-CD2 3.95Å; H594-F598 HydrophobicContact CB-CE2 3.95Å; H594-F598 AromaticContact CG-CE2 4Å; H594-F598 WeakPolarHBondContact O-CD2 3.43Å; H594-F598 PolarHBondContact O-N 2.75Å
599N87.3Confident89.6Confident12 Ų1210 Ų106%0.0646%0.058CC..  trans-90.6117.6-178.1-64-22.5000110.7R391 Q562 T595 V601R391-N599 WeakPolarHBondContact CD-O 3.37Å; Q562-N599 PolarHBondContact NE2-ND2 3.13Å; T595-N599 VanDerWaalsContact O-CB 3.22Å; T595-N599 WeakPolarHBondContact O-CB 3.4Å; T595-N599 PolarHBondContact O-N 2.92Å; N599-V601 PolarHBondContact O-N 2.7Å
600P85.3Confident90.3Very high2 Ų29.6 Ų9.61%0.0135%0.054CC..SBendtrans-64.3-28.1178.530-39.6000112.9P362 R391 W392 F652P362-P600 VanDerWaalsContact O-CG 3.31Å; P362-P600 WeakPolarHBondContact O-CG 3.35Å; R391-P600 CarbonylContact C-O 3.57Å; R391-P600 WeakPolarHBondContact CA-O 3.47Å; W392-P600 PolarHBondContact N-O 3.06Å; P600-F652 HydrophobicContact CG-CE2 3.64Å; P600-F652 HydrophobicContact CG-CZ 3.4Å
601V89Confident90.8Very high4 Ų48.7 Ų8.72%0.0244%0.044CC..EExtended strand (participates in β ladder)trans-131.1120.9-178.2170.80000107.8W392 N599 L644 I647 Y648W392-V601 HydrophobicContact CB-CG2 4.2Å; W392-V601 HydrophobicContact CE3-CG2 4.27Å; N599-V601 PolarHBondContact O-N 2.7Å; V601-L644 HydrophobicContact CB-CD1 4.36Å; V601-L644 HydrophobicContact CG1-CD1 3.56Å; V601-L644 HydrophobicContact CG1-CD2 3.97Å; V601-L644 HydrophobicContact CG1-CG 3.79Å; V601-L644 HydrophobicContact CG2-CD1 4Å; V601-I647 HydrophobicContact CG2-CG2 4.38Å; V601-Y648 HydrophobicContact CB-CD2 3.83Å; V601-Y648 HydrophobicContact CB-CE2 4.47Å; V601-Y648 HydrophobicContact CG1-CD2 3.9Å; V601-Y648 HydrophobicContact CG2-CD2 4.11Å
602S90.7Very high91Very high2 Ų26.3 Ų6.31%0.0143%0.033CC..EExtended strand (participates in β ladder)trans-129.5123.8178-80.30000110.8W392 V393 L394 Q562 T595 F604W392-S602 PolarHBondContact O-N 3.32Å; V393-S602 WeakPolarHBondContact CA-O 3.47Å; L394-S602 PolarHBondContact N-O 3.17Å; Q562-S602 PolarHBondContact OE1-OG 2.9Å; T595-S602 WeakPolarHBondContact CG2-OG 3.33Å; S602-F604 VanDerWaalsContact CB-CE2 3.48Å
603I94.3Very high90.8Very high0 Ų07.9 Ų7.90%04%0.042CC..EExtended strand (participates in β ladder)trans-113.7111.9175.4-53.4168.9000107.1L394 L559 R561 Q562 L644L394-I603 HydrophobicContact CB-CG1 4.34Å; L394-I603 HydrophobicContact CB-CG2 4.27Å; L394-I603 HydrophobicContact CD2-CG2 4Å; L394-I603 HydrophobicContact CG-CG2 4.32Å; L394-I603 WeakPolarHBondContact O-CA 3.45Å; L559-I603 HydrophobicContact CB-CD1 3.35Å; L559-I603 HydrophobicContact CD1-CD1 3.53Å; L559-I603 HydrophobicContact CG-CD1 4.07Å; R561-I603 CarbonylContact C-O 3.55Å; R561-I603 WeakPolarHBondContact CA-O 3.35Å; R561-I603 HydrophobicContact CG-CB 4.35Å; R561-I603 HydrophobicContact CG-CG2 3.96Å; R561-I603 WeakPolarHBondContact CG-O 3.43Å; Q562-I603 PolarHBondContact N-O 3.46Å; I603-L644 HydrophobicContact CD1-CD2 3.81Å; I603-L644 HydrophobicContact CG1-CD2 3.61Å
604F95Very high90.7Very high0 Ų08.5 Ų8.50%05%0.045CC..EExtended strand (participates in β ladder)trans-96.6132.4-176.9-68.1-78.6000111.5V393 L394 D396 Q562 C564 L592 T595 F596 S602 F621V393-F604 HydrophobicContact CG2-CD2 3.97Å; V393-F604 HydrophobicContact CG2-CE2 4.07Å; L394-F604 PolarHBondContact O-N 3.45Å; D396-F604 PolarHBondContact N-O 3.14Å; Q562-F604 HydrophobicContact CB-CD1 4.27Å; Q562-F604 HydrophobicContact CB-CE1 4.35Å; Q562-F604 WeakPolarHBondContact O-CA 3.47Å; C564-F604 HydrophobicContact CB-CD1 3.95Å; L592-F604 HydrophobicContact CD1-CD1 4.4Å; L592-F604 HydrophobicContact CD1-CE1 3.56Å; L592-F604 HydrophobicContact CD1-CZ 3.93Å; T595-F604 HydrophobicContact CG2-CE1 4Å; T595-F604 HydrophobicContact CG2-CZ 3.66Å; F596-F604 HydrophobicContact CD2-CE2 4.4Å; F596-F604 HydrophobicContact CD2-CZ 4.06Å; F596-F604 AromaticContact CE1-CE2 3.93Å; F596-F604 HydrophobicContact CE1-CE2 3.93Å; F596-F604 HydrophobicContact CE2-CE1 4.43Å; F596-F604 AromaticContact CE2-CE2 3.52Å; F596-F604 HydrophobicContact CE2-CE2 3.52Å; F596-F604 AromaticContact CE2-CZ 3.42Å; F596-F604 HydrophobicContact CE2-CZ 3.42Å; F596-F604 VanDerWaalsContact CE2-CZ 3.42Å; F596-F604 HydrophobicContact CZ-CD2 4.12Å; F596-F604 AromaticContact CZ-CE2 3.23Å; F596-F604 HydrophobicContact CZ-CE2 3.23Å; F596-F604 AromaticContact CZ-CZ 3.69Å; F596-F604 HydrophobicContact CZ-CZ 3.69Å; S602-F604 VanDerWaalsContact CB-CE2 3.48Å; F604-F621 HydrophobicContact CB-CE1 4.15Å; F604-F621 HydrophobicContact CB-CZ 3.83Å; F604-F621 HydrophobicContact CD2-CE1 4.12Å; F604-F621 HydrophobicContact CG-CE1 4.08Å; F604-F621 HydrophobicContact CG-CZ 4.24Å
605M93.3Very high90.8Very high23 Ų239.1 Ų9.111%0.1135%0.046CC..EExtended strand (participates in β ladder)trans-85.3127.9167.9-174.3-164.3-172.300110.4D398 I537 R561 Q562 C564 H607D398-M605 WeakPolarHBondContact OD2-CE 3.46Å; I537-M605 HydrophobicContact CD1-SD 4.29Å; I537-M605 HydrophobicContact CG2-SD 4.42Å; R561-M605 HydrophobicContact CG-CB 4.22Å; Q562-M605 PolarHBondContact O-N 2.87Å; C564-M605 PolarHBondContact SG-O 3.47Å; M605-H607 VanDerWaalsContact CE-CE1 3.47Å; M605-H607 WeakPolarHBondContact CE-CE1 3.49Å; M605-H607 WeakPolarHBondContact CE-NE2 3.33Å
606T95Very high91Very high0 Ų08.5 Ų8.50%04%0.042CC..EExtended strand (participates in β ladder)trans-135.5173.9163.952.70000110D396 D398 C564 I566 Y611 A617 F621D396-T606 PolarHBondContact O-N 3.28Å; D396-T606 PolarHBondContact O-OG1 2.92Å; D398-T606 PolarHBondContact N-O 3.18Å; C564-T606 WeakPolarHBondContact SG-CG2 3.46Å; I566-T606 HydrophobicContact CD1-CG2 4.46Å; T606-Y611 PolarHBondContact OG1-OH 3.21Å; T606-A617 HydrophobicContact CG2-CB 4.46Å; T606-F621 HydrophobicContact CG2-CE2 3.62Å; T606-F621 HydrophobicContact CG2-CZ 4.01Å
607H94.4Very high91.2Very high13 Ų138.3 Ų8.36%0.064%0.042CC..EExtended strand (participates in β ladder)trans-123.8150.9175.2-54.280.2000109.6D398 D399 T568 M605 V609 N610 Y611D398-H607 WeakPolarHBondContact O-CA 3.25Å; D399-H607 IonicContact OD2-CD2 3.78Å; D399-H607 PolarHBondContact OD2-CD2 3.45Å; T568-H607 HydrophobicContact CG2-CB 4.49Å; T568-H607 PolarHBondContact N-ND1 3.24Å; T568-H607 PolarHBondContact OG1-CD2 2.96Å; T568-H607 VanDerWaalsContact OG1-CD2 3.3Å; T568-H607 PolarHBondContact OG1-CE1 2.78Å; T568-H607 PolarHBondContact OG1-NE2 3.25Å; M605-H607 VanDerWaalsContact CE-CE1 3.47Å; M605-H607 WeakPolarHBondContact CE-CE1 3.49Å; M605-H607 WeakPolarHBondContact CE-NE2 3.33Å; H607-V609 HydrophobicContact CB-CG2 3.83Å; H607-V609 PolarHBondContact O-N 2.97Å; H607-N610 PolarHBondContact N-OD1 3.43Å; H607-N610 WeakPolarHBondContact O-CB 3.35Å; H607-N610 PolarHBondContact O-N 3.13Å; H607-N610 PolarHBondContact O-OD1 3.44Å; H607-Y611 WeakPolarHBondContact O-CD2 3.48Å
608L93.8Very high91.4Very high7 Ų79.1 Ų9.14%0.0375%0.046CC..G310 helixtrans-54.2-33.3-178.6-176.961.2000113I397 D398 V400 L409 M417 I456 N610 Y611I397-L608 HydrophobicContact CG2-CB 4.04Å; I397-L608 HydrophobicContact CG2-CD1 4.38Å; D398-L608 PolarHBondContact O-N 2.72Å; D398-L608 VanDerWaalsContact O-N 3.08Å; V400-L608 HydrophobicContact CB-CD2 4.42Å; V400-L608 HydrophobicContact CG1-CD2 4.21Å; V400-L608 HydrophobicContact CG2-CB 4.47Å; V400-L608 HydrophobicContact CG2-CD2 4.33Å; L409-L608 HydrophobicContact CD2-CD1 4.35Å; L409-L608 HydrophobicContact CD2-CD2 3.75Å; L409-L608 HydrophobicContact CD2-CG 3.95Å; M417-L608 HydrophobicContact CE-CD1 4.39Å; M417-L608 HydrophobicContact SD-CD1 4.22Å; I456-L608 HydrophobicContact CD1-CD2 4.05Å; L608-N610 PolarHBondContact O-N 3.41Å; L608-Y611 WeakPolarHBondContact O-CB 3.44Å; L608-Y611 PolarHBondContact O-N 3.41Å; L608-Y611 VanDerWaalsContact O-N 3.08Å
609V91.5Very high91.7Very high19 Ų1910.6 Ų10.612%0.1155%0.051CC..G310 helixtrans-60.4-28.4177.2-60.20000113.6D404 A407 T568 H607 Y611 G612D404-V609 HydrophobicContact CB-CG1 3.53Å; A407-V609 HydrophobicContact CB-CB 3.74Å; A407-V609 HydrophobicContact CB-CG1 3.81Å; T568-V609 HydrophobicContact CG2-CG2 4.17Å; T568-V609 VanDerWaalsContact O-CG2 3.31Å; T568-V609 WeakPolarHBondContact O-CG2 3.35Å; H607-V609 HydrophobicContact CB-CG2 3.83Å; H607-V609 PolarHBondContact O-N 2.97Å; V609-Y611 PolarHBondContact O-N 3.47Å; V609-G612 PolarHBondContact O-N 3.25Å; V609-G612 VanDerWaalsContact O-N 3.12Å
610N93.3Very high92Very high1 Ų110 Ų101%0.0055%0.048CC..G310 helixtrans-71-10178.3-56.8131.8000113.4I566 Y567 T570 H607 L608 R615 L616 A617I566-N610 HydrophobicContact CD1-CB 4Å; Y567-N610 PolarHBondContact O-ND2 3.49Å; T570-N610 PolarHBondContact O-ND2 3.32Å; H607-N610 PolarHBondContact N-OD1 3.43Å; H607-N610 WeakPolarHBondContact O-CB 3.35Å; H607-N610 PolarHBondContact O-N 3.13Å; H607-N610 PolarHBondContact O-OD1 3.44Å; L608-N610 PolarHBondContact O-N 3.41Å; N610-R615 CarbonylContact O-C 3.51Å; N610-L616 PolarHBondContact O-N 3.45Å; N610-L616 VanDerWaalsContact O-N 3.15Å; N610-A617 HydrophobicContact CB-CB 3.77Å; N610-A617 PolarHBondContact O-N 3.25Å
611Y93.9Very high92.5Very high0 Ų09.9 Ų9.90%05%0.048CC..G310 helixtrans-101-12.1176.2-58.6-96.1000112.1V395 I397 D413 M417 F433 T606 H607 L608 V609 R615 A617 L618V395-Y611 WeakPolarHBondContact CG1-OH 3.38Å; I397-Y611 HydrophobicContact CB-CE2 4.39Å; I397-Y611 HydrophobicContact CD1-CD2 4.26Å; I397-Y611 HydrophobicContact CD1-CE1 4.03Å; I397-Y611 HydrophobicContact CD1-CE2 3.63Å; I397-Y611 VanDerWaalsContact CD1-CZ 3.49Å; I397-Y611 HydrophobicContact CG1-CE2 3.74Å; I397-Y611 HydrophobicContact CG2-CD2 4.21Å; I397-Y611 HydrophobicContact CG2-CE2 3.85Å; D413-Y611 WeakPolarHBondContact CB-O 3.32Å; M417-Y611 HydrophobicContact CE-CD1 4.08Å; M417-Y611 HydrophobicContact CE-CE1 4.45Å; M417-Y611 HydrophobicContact CE-CG 4.15Å; M417-Y611 HydrophobicContact CG-CD1 3.71Å; M417-Y611 HydrophobicContact CG-CG 4.13Å; M417-Y611 HydrophobicContact SD-CD1 4.03Å; M417-Y611 HydrophobicContact SD-CG 3.9Å; F433-Y611 AromaticContact CE1-CE1 3.8Å; F433-Y611 HydrophobicContact CE1-CE1 3.8Å; F433-Y611 AromaticContact CZ-CE1 3.94Å; F433-Y611 HydrophobicContact CZ-CE1 3.94Å; T606-Y611 PolarHBondContact OG1-OH 3.21Å; H607-Y611 WeakPolarHBondContact O-CD2 3.48Å; L608-Y611 WeakPolarHBondContact O-CB 3.44Å; L608-Y611 PolarHBondContact O-N 3.41Å; L608-Y611 VanDerWaalsContact O-N 3.08Å; V609-Y611 PolarHBondContact O-N 3.47Å; Y611-R615 WeakPolarHBondContact O-CG 3.39Å; Y611-A617 HydrophobicContact CD1-CB 3.95Å; Y611-A617 HydrophobicContact CD2-CB 4.1Å; Y611-A617 HydrophobicContact CE1-CB 3.62Å; Y611-A617 HydrophobicContact CE2-CB 3.76Å; Y611-A617 HydrophobicContact CG-CB 4.18Å; Y611-L618 HydrophobicContact CD1-CD2 3.6Å; Y611-L618 HydrophobicContact CD1-CG 3.8Å; Y611-L618 HydrophobicContact CE1-CD2 3.73Å; Y611-L618 HydrophobicContact CE1-CG 4.31Å
612G89.8Confident92.8Very high1 Ų111.7 Ų11.71%0.016%0.057CC..SBendtrans-79.5-179.2169.300000112.4V609 D614 R615V609-G612 PolarHBondContact O-N 3.25Å; V609-G612 VanDerWaalsContact O-N 3.12Å; G612-D614 PolarHBondContact O-N 3.21Å; G612-R615 PolarHBondContact O-N 3.32Å
613N86.1Confident92.8Very high34 Ų3411.7 Ų11.718%0.1826%0.058CC..THydrogen-bonded Turntrans49-105172.7-68.9-32.4000114.9R43 A407 H408 H572R43-N613 PolarHBondContact NH1-O 2.9Å; A407-N613 WeakPolarHBondContact CA-ND2 3.26Å; H408-N613 PolarHBondContact N-ND2 3.37Å; H408-N613 PolarHBondContact N-OD1 3.48Å; H408-N613 PolarHBondContact O-N 3.42Å; H408-N613 PolarHBondContact O-OD1 3.09Å; H572-N613 VanDerWaalsContact CE1-CB 3.46Å; H572-N613 WeakPolarHBondContact CE1-CB 3.41Å; H572-N613 VanDerWaalsContact CE1-CG 3.42Å; H572-N613 PolarHBondContact CE1-ND2 3.2Å; H572-N613 PolarHBondContact NE2-ND2 2.95Å
614D87.6Confident92.8Very high12 Ų1211.7 Ų11.76%0.0646%0.058CC..THydrogen-bonded Turntrans-87.81.7-179.1-76.5-69.8000113.7K44 S45 H572 P573 G612 L616K44-D614 WeakPolarHBondContact CB-OD1 3.25Å; K44-D614 PolarHBondContact N-OD1 2.79Å; S45-D614 VanDerWaalsContact CB-O 3.28Å; S45-D614 WeakPolarHBondContact CB-O 3.38Å; S45-D614 PolarHBondContact OG-O 2.66Å; H572-D614 IonicContact CE1-OD2 2.65Å; H572-D614 IonicContact CG-OD2 3.52Å; H572-D614 IonicContact ND1-OD2 2.82Å; H572-D614 PolarHBondContact ND1-OD2 2.96Å; P573-D614 VanDerWaalsContact CD-OD2 3.22Å; P573-D614 WeakPolarHBondContact CD-OD2 3.38Å; P573-D614 HydrophobicContact CG-CB 4.38Å; G612-D614 PolarHBondContact O-N 3.21Å; D614-L616 VanDerWaalsContact C-N 3.27Å; D614-L616 HydrophobicContact CB-CD2 4.38Å; D614-L616 HydrophobicContact CB-CG 4.38Å; D614-L616 PolarHBondContact O-N 3.46Å
615R91.3Very high92.8Very high43 Ų4311.7 Ų11.716%0.1626%0.058CC..  trans52.841.6177.8-73.1163.9-179.91676.4113.1R43 D412 D413 A416 N610 Y611 G612 A617 L618 Y619R43-R615 VanDerWaalsContact NH1-CZ 3.33Å; D412-R615 PolarHBondContact O-NH2 2.94Å; D412-R615 IonicContact OD1-NH2 3.79Å; D412-R615 IonicContact OD2-CZ 3.04Å; D412-R615 IonicContact OD2-NH1 2.72Å; D412-R615 IonicContact OD2-NH2 2.9Å; D412-R615 PolarHBondContact OD2-NH2 3.36Å; D413-R615 IonicContact OD1-CZ 2.69Å; D413-R615 IonicContact OD1-NE 2.67Å; D413-R615 PolarHBondContact OD1-NE 3.4Å; D413-R615 VanDerWaalsContact OD1-NE 3.1Å; D413-R615 IonicContact OD1-NH2 2.8Å; D413-R615 PolarHBondContact OD1-NH2 3.02Å; A416-R615 VanDerWaalsContact CB-NE 3.32Å; A416-R615 VanDerWaalsContact CB-NH2 3.34Å; N610-R615 CarbonylContact O-C 3.51Å; Y611-R615 WeakPolarHBondContact O-CG 3.39Å; G612-R615 PolarHBondContact O-N 3.32Å; R615-A617 PolarHBondContact O-N 3.41Å; R615-A617 VanDerWaalsContact O-N 3.17Å; R615-L618 HydrophobicContact CB-CB 4.2Å; R615-L618 HydrophobicContact CB-CD1 4.18Å; R615-L618 HydrophobicContact CB-CG 4.36Å; R615-L618 HydrophobicContact CG-CD1 4Å; R615-L618 PolarHBondContact O-N 3.19Å; R615-Y619 PolarHBondContact O-N 3.13Å
616L91.9Very high92.7Very high1 Ų112.9 Ų12.91%0.0056%0.063CC..Hα-helixtrans-56-36.3-175.4-69.1-179.3000112.9I566 T570 P573 I576 M580 N610 D614 Y619 L620I566-L616 HydrophobicContact CG2-CB 4.46Å; T570-L616 HydrophobicContact CG2-CD1 4.03Å; P573-L616 HydrophobicContact CG-CD2 4.2Å; I576-L616 HydrophobicContact CD1-CD1 4.03Å; I576-L616 HydrophobicContact CD1-CD2 4.38Å; I576-L616 HydrophobicContact CG1-CD1 4.15Å; M580-L616 HydrophobicContact SD-CD2 4.26Å; N610-L616 PolarHBondContact O-N 3.45Å; N610-L616 VanDerWaalsContact O-N 3.15Å; D614-L616 VanDerWaalsContact C-N 3.27Å; D614-L616 HydrophobicContact CB-CD2 4.38Å; D614-L616 HydrophobicContact CB-CG 4.38Å; D614-L616 PolarHBondContact O-N 3.46Å; L616-Y619 PolarHBondContact O-N 2.76Å; L616-L620 VanDerWaalsContact O-CB 3.27Å; L616-L620 WeakPolarHBondContact O-CB 3.46Å; L616-L620 PolarHBondContact O-N 3.02Å
617A94.2Very high92.4Very high0 Ų013.3 Ų13.30%06%0.064CC..Hα-helixtrans-64.1-42.2175.500000112.7I566 T606 N610 Y611 R615 L620 F621I566-A617 VanDerWaalsContact CD1-CA 3.46Å; I566-A617 HydrophobicContact CD1-CB 3.68Å; T606-A617 HydrophobicContact CG2-CB 4.46Å; N610-A617 HydrophobicContact CB-CB 3.77Å; N610-A617 PolarHBondContact O-N 3.25Å; Y611-A617 HydrophobicContact CD1-CB 3.95Å; Y611-A617 HydrophobicContact CD2-CB 4.1Å; Y611-A617 HydrophobicContact CE1-CB 3.62Å; Y611-A617 HydrophobicContact CE2-CB 3.76Å; Y611-A617 HydrophobicContact CG-CB 4.18Å; R615-A617 PolarHBondContact O-N 3.41Å; R615-A617 VanDerWaalsContact O-N 3.17Å; A617-L620 PolarHBondContact O-N 2.86Å; A617-F621 VanDerWaalsContact O-CD2 3.24Å; A617-F621 WeakPolarHBondContact O-CD2 3.24Å; A617-F621 PolarHBondContact O-N 2.96Å
618L95.3Very high92.3Very high16 Ų1612.7 Ų12.78%0.0846%0.062CC..Hα-helixtrans-67-42.2177.7-62.3-177.5000111.3A416 M417 A420 W424 F433 Y611 R615 N622A416-L618 HydrophobicContact CB-CD1 3.93Å; M417-L618 HydrophobicContact CG-CD1 4.39Å; M417-L618 HydrophobicContact CG-CD2 4.43Å; A420-L618 HydrophobicContact CB-CD2 3.81Å; W424-L618 HydrophobicContact CH2-CD2 4Å; W424-L618 HydrophobicContact CZ2-CD2 4.48Å; F433-L618 HydrophobicContact CZ-CD2 3.96Å; Y611-L618 HydrophobicContact CD1-CD2 3.6Å; Y611-L618 HydrophobicContact CD1-CG 3.8Å; Y611-L618 HydrophobicContact CE1-CD2 3.73Å; Y611-L618 HydrophobicContact CE1-CG 4.31Å; R615-L618 HydrophobicContact CB-CB 4.2Å; R615-L618 HydrophobicContact CB-CD1 4.18Å; R615-L618 HydrophobicContact CB-CG 4.36Å; R615-L618 HydrophobicContact CG-CD1 4Å; R615-L618 PolarHBondContact O-N 3.19Å; L618-N622 WeakPolarHBondContact O-CB 3.27Å; L618-N622 PolarHBondContact O-N 2.91Å
619Y92Very high92.2Very high32 Ų3214.2 Ų14.213%0.1257%0.072CC..Hα-helixtrans-57.6-51.1173.8167.4-99.6000111F48 M580 L583 I587 R615 L616 N622 A623F48-Y619 HydrophobicContact CB-CE2 4.08Å; F48-Y619 VanDerWaalsContact O-CE2 3.3Å; F48-Y619 WeakPolarHBondContact O-CE2 3.46Å; M580-Y619 HydrophobicContact CE-CD1 4.36Å; M580-Y619 HydrophobicContact CE-CE1 3.83Å; L583-Y619 HydrophobicContact CD2-CD1 4.36Å; L583-Y619 HydrophobicContact CD2-CE1 4.31Å; I587-Y619 HydrophobicContact CD1-CE1 4.02Å; R615-Y619 PolarHBondContact O-N 3.13Å; L616-Y619 PolarHBondContact O-N 2.76Å; Y619-N622 PolarHBondContact O-N 3.05Å; Y619-A623 VanDerWaalsContact O-CB 3.23Å; Y619-A623 WeakPolarHBondContact O-CB 3.28Å; Y619-A623 PolarHBondContact O-N 3.31Å
620L93.7Very high92Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-59.4-53.8-177.6177.6143.4000112.1C564 L583 I587 L592 L616 A617 A623 I624C564-L620 HydrophobicContact CB-CD1 4.49Å; C564-L620 HydrophobicContact CB-CD2 4.08Å; C564-L620 WeakPolarHBondContact O-CD1 3.47Å; L583-L620 HydrophobicContact CD1-CD1 3.72Å; I587-L620 HydrophobicContact CD1-CB 4.3Å; I587-L620 HydrophobicContact CD1-CD1 4.37Å; I587-L620 HydrophobicContact CD1-CG 4.09Å; I587-L620 HydrophobicContact CG1-CD1 4.41Å; I587-L620 HydrophobicContact CG1-CG 4.2Å; L592-L620 HydrophobicContact CD2-CD1 4.14Å; L592-L620 HydrophobicContact CD2-CD2 3.69Å; L592-L620 HydrophobicContact CD2-CG 3.91Å; L616-L620 VanDerWaalsContact O-CB 3.27Å; L616-L620 WeakPolarHBondContact O-CB 3.46Å; L616-L620 PolarHBondContact O-N 3.02Å; A617-L620 PolarHBondContact O-N 2.86Å; L620-A623 PolarHBondContact O-N 3.39Å; L620-I624 WeakPolarHBondContact O-CG2 3.27Å; L620-I624 PolarHBondContact O-N 3.01Å
621F95.7Very high91.8Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-68.5-37.8-177-75.9-59.3000111.9V395 W424 C564 F604 T606 A617 A623 I624 F625V395-F621 HydrophobicContact CB-CE2 4.49Å; V395-F621 HydrophobicContact CB-CZ 4.45Å; V395-F621 HydrophobicContact CG1-CD2 4.27Å; V395-F621 HydrophobicContact CG1-CE2 3.53Å; V395-F621 HydrophobicContact CG1-CZ 3.79Å; V395-F621 HydrophobicContact CG2-CD1 4.26Å; V395-F621 HydrophobicContact CG2-CD2 4.47Å; V395-F621 HydrophobicContact CG2-CE1 3.88Å; V395-F621 HydrophobicContact CG2-CE2 4.08Å; V395-F621 HydrophobicContact CG2-CZ 3.79Å; W424-F621 HydrophobicContact CH2-CB 3.43Å; W424-F621 VanDerWaalsContact CH2-CB 3.43Å; W424-F621 HydrophobicContact CH2-CG 4.37Å; W424-F621 HydrophobicContact CZ2-CB 3.81Å; W424-F621 HydrophobicContact CZ3-CB 4.06Å; C564-F621 HydrophobicContact CB-CZ 4.36Å; F604-F621 HydrophobicContact CB-CE1 4.15Å; F604-F621 HydrophobicContact CB-CZ 3.83Å; F604-F621 HydrophobicContact CD2-CE1 4.12Å; F604-F621 HydrophobicContact CG-CE1 4.08Å; F604-F621 HydrophobicContact CG-CZ 4.24Å; T606-F621 HydrophobicContact CG2-CE2 3.62Å; T606-F621 HydrophobicContact CG2-CZ 4.01Å; A617-F621 VanDerWaalsContact O-CD2 3.24Å; A617-F621 WeakPolarHBondContact O-CD2 3.24Å; A617-F621 PolarHBondContact O-N 2.96Å; F621-A623 PolarHBondContact O-N 2.98Å; F621-I624 HydrophobicContact CD1-CG2 4.33Å; F621-I624 WeakPolarHBondContact O-CG2 3.47Å; F621-F625 HydrophobicContact CB-CD2 4.33Å; F621-F625 HydrophobicContact CB-CE2 4Å; F621-F625 HydrophobicContact CB-CZ 4.33Å; F621-F625 HydrophobicContact CD1-CE1 4.27Å; F621-F625 HydrophobicContact CD1-CE2 4.46Å; F621-F625 AromaticContact CD1-CZ 3.95Å; F621-F625 HydrophobicContact CD1-CZ 3.95Å; F621-F625 HydrophobicContact CG-CZ 4.44Å; F621-F625 WeakPolarHBondContact O-CB 3.43Å; F621-F625 VanDerWaalsContact O-CD2 3.22Å; F621-F625 WeakPolarHBondContact O-CD2 3.34Å; F621-F625 WeakPolarHBondContact O-CG 3.29Å; F621-F625 PolarHBondContact O-N 3.07Å
622N95.2Very high91.8Very high41 Ų4116 Ų1622%0.2198%0.08CC..Hα-helixtrans-61.3-47.4174.3-164.181.6000111.1Y423 W424 L618 Y619 E626Y423-N622 WeakPolarHBondContact CE1-OD1 3.41Å; W424-N622 HydrophobicContact CZ2-CB 4.11Å; W424-N622 PolarHBondContact NE1-OD1 2.79Å; L618-N622 WeakPolarHBondContact O-CB 3.27Å; L618-N622 PolarHBondContact O-N 2.91Å; Y619-N622 PolarHBondContact O-N 3.05Å; N622-E626 VanDerWaalsContact ND2-CD 3.26Å; N622-E626 PolarHBondContact ND2-OE1 2.91Å; N622-E626 WeakPolarHBondContact O-CB 3.13Å; N622-E626 WeakPolarHBondContact O-CG 3.29Å; N622-E626 PolarHBondContact O-N 3.38Å
623A91.7Very high91.8Very high3 Ų318.4 Ų18.43%0.0259%0.093CC..Hα-helixtrans-61.9-47.5-179.100000111.9I587 F588 Y619 L620 F621 F627I587-A623 HydrophobicContact CD1-CB 4.39Å; I587-A623 HydrophobicContact CG2-CB 3.91Å; F588-A623 HydrophobicContact CZ-CB 3.99Å; Y619-A623 VanDerWaalsContact O-CB 3.23Å; Y619-A623 WeakPolarHBondContact O-CB 3.28Å; Y619-A623 PolarHBondContact O-N 3.31Å; L620-A623 PolarHBondContact O-N 3.39Å; F621-A623 PolarHBondContact O-N 2.98Å; A623-F627 WeakPolarHBondContact O-CB 3.05Å; A623-F627 PolarHBondContact O-N 3.42Å
624I93.7Very high92.1Very high0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-69.5-40.6-179.9-171.360.5000112.2I587 L592 F593 F596 L620 F621 F627 M628I587-I624 HydrophobicContact CG2-CB 4.12Å; I587-I624 HydrophobicContact CG2-CD1 4.38Å; I587-I624 WeakPolarHBondContact O-CD1 3.4Å; L592-I624 HydrophobicContact CD2-CB 4.11Å; L592-I624 HydrophobicContact CD2-CG1 4.2Å; L592-I624 HydrophobicContact CD2-CG2 4.24Å; L592-I624 HydrophobicContact CG-CD1 4.49Å; L592-I624 HydrophobicContact CG-CG1 4.17Å; F593-I624 HydrophobicContact CB-CD1 3.99Å; F593-I624 HydrophobicContact CD2-CD1 4.25Å; F596-I624 HydrophobicContact CD2-CD1 4.35Å; F596-I624 HydrophobicContact CD2-CG1 3.59Å; F596-I624 HydrophobicContact CE2-CG1 3.75Å; F596-I624 HydrophobicContact CE2-CG2 3.99Å; F596-I624 HydrophobicContact CG-CG1 4.37Å; F596-I624 HydrophobicContact CZ-CG2 4.37Å; L620-I624 WeakPolarHBondContact O-CG2 3.27Å; L620-I624 PolarHBondContact O-N 3.01Å; F621-I624 HydrophobicContact CD1-CG2 4.33Å; F621-I624 WeakPolarHBondContact O-CG2 3.47Å; I624-F627 HydrophobicContact CD1-CD1 4.33Å; I624-F627 PolarHBondContact O-N 2.89Å; I624-M628 HydrophobicContact CD1-CG 4.31Å; I624-M628 HydrophobicContact CG1-CG 4.34Å; I624-M628 WeakPolarHBondContact O-CB 3.38Å; I624-M628 VanDerWaalsContact O-CG 3.29Å; I624-M628 WeakPolarHBondContact O-CG 3.41Å; I624-M628 PolarHBondContact O-N 2.83Å
625F95.3Very high92.2Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-66.3-43179.9-68.9-19.6000112.4V393 W424 F427 I428 F431 F596 F621 F627 T629 L636V393-F625 HydrophobicContact CG1-CE1 4.36Å; V393-F625 HydrophobicContact CG1-CZ 4.38Å; V393-F625 HydrophobicContact CG2-CE1 4.12Å; V393-F625 HydrophobicContact CG2-CZ 4.14Å; W424-F625 AromaticContact CD2-CD2 3.81Å; W424-F625 HydrophobicContact CD2-CD2 3.81Å; W424-F625 AromaticContact CD2-CE2 3.88Å; W424-F625 HydrophobicContact CD2-CE2 3.88Å; W424-F625 HydrophobicContact CE3-CD2 4.06Å; W424-F625 AromaticContact CE3-CE2 3.63Å; W424-F625 HydrophobicContact CE3-CE2 3.63Å; W424-F625 HydrophobicContact CG-CD2 4.04Å; W424-F625 HydrophobicContact CG-CE2 4.42Å; W424-F625 HydrophobicContact CH2-CE2 4.47Å; W424-F625 AromaticContact CZ3-CE2 3.93Å; W424-F625 HydrophobicContact CZ3-CE2 3.93Å; F427-F625 HydrophobicContact CE2-CB 3.73Å; F427-F625 HydrophobicContact CE2-CD2 4.45Å; F427-F625 HydrophobicContact CE2-CG 4.39Å; F427-F625 HydrophobicContact CZ-CB 4.12Å; I428-F625 HydrophobicContact CD1-CB 4.48Å; I428-F625 HydrophobicContact CD1-CD1 4.02Å; I428-F625 HydrophobicContact CD1-CD2 3.67Å; I428-F625 HydrophobicContact CD1-CE1 4.07Å; I428-F625 HydrophobicContact CD1-CE2 3.74Å; I428-F625 HydrophobicContact CD1-CG 3.82Å; I428-F625 HydrophobicContact CD1-CZ 3.95Å; F431-F625 HydrophobicContact CE2-CE2 4.09Å; F431-F625 HydrophobicContact CE2-CZ 4.13Å; F431-F625 HydrophobicContact CZ-CE2 4.42Å; F596-F625 HydrophobicContact CE1-CD1 4.21Å; F596-F625 AromaticContact CE1-CE1 3.7Å; F596-F625 HydrophobicContact CE1-CE1 3.7Å; F596-F625 HydrophobicContact CZ-CD1 4.19Å; F596-F625 AromaticContact CZ-CE1 3.59Å; F596-F625 HydrophobicContact CZ-CE1 3.59Å; F621-F625 HydrophobicContact CB-CD2 4.33Å; F621-F625 HydrophobicContact CB-CE2 4Å; F621-F625 HydrophobicContact CB-CZ 4.33Å; F621-F625 HydrophobicContact CD1-CE1 4.27Å; F621-F625 HydrophobicContact CD1-CE2 4.46Å; F621-F625 AromaticContact CD1-CZ 3.95Å; F621-F625 HydrophobicContact CD1-CZ 3.95Å; F621-F625 HydrophobicContact CG-CZ 4.44Å; F621-F625 WeakPolarHBondContact O-CB 3.43Å; F621-F625 VanDerWaalsContact O-CD2 3.22Å; F621-F625 WeakPolarHBondContact O-CD2 3.34Å; F621-F625 WeakPolarHBondContact O-CG 3.29Å; F621-F625 PolarHBondContact O-N 3.07Å; F625-F627 VanDerWaalsContact C-N 3.34Å; F625-T629 WeakPolarHBondContact O-CB 3.4Å; F625-T629 PolarHBondContact O-N 3.23Å; F625-T629 PolarHBondContact O-OG1 3.22Å; F625-L636 HydrophobicContact CB-CD1 4.26Å; F625-L636 HydrophobicContact CD1-CD1 3.45Å; F625-L636 VanDerWaalsContact CD1-CD1 3.45Å; F625-L636 HydrophobicContact CE1-CD1 4.05Å; F625-L636 HydrophobicContact CG-CD1 4.08Å
626E91Very high92.2Very high47 Ų4719.7 Ų19.722%0.2210%0.098CC..Hα-helixtrans-65-40.9172.9-73.9-176.5179.100111Y423 N622 T629 N630Y423-E626 WeakPolarHBondContact CE1-OE1 3.21Å; Y423-E626 PolarHBondContact OH-OE1 2.92Å; N622-E626 VanDerWaalsContact ND2-CD 3.26Å; N622-E626 PolarHBondContact ND2-OE1 2.91Å; N622-E626 WeakPolarHBondContact O-CB 3.13Å; N622-E626 WeakPolarHBondContact O-CG 3.29Å; N622-E626 PolarHBondContact O-N 3.38Å; E626-T629 PolarHBondContact O-N 2.74Å; E626-N630 WeakPolarHBondContact O-CB 3.4Å; E626-N630 PolarHBondContact O-N 2.81Å; E626-N630 PolarHBondContact O-ND2 3.43Å
627F89.8Confident92.2Very high9 Ų920.5 Ų20.54%0.03910%0.102CC..Hα-helixtrans-60.9-46.7177.7-173.4-114.8000111.9I53 W340 F588 F593 A623 I624 F625 N630 W631I53-F627 HydrophobicContact CD1-CD2 4.48Å; W340-F627 AromaticContact CD2-CZ 3.99Å; W340-F627 HydrophobicContact CD2-CZ 3.99Å; W340-F627 AromaticContact CE2-CZ 3.9Å; W340-F627 HydrophobicContact CE3-CE1 4.25Å; W340-F627 AromaticContact CE3-CZ 3.78Å; W340-F627 HydrophobicContact CE3-CZ 3.78Å; W340-F627 HydrophobicContact CH2-CE1 4.34Å; W340-F627 AromaticContact CH2-CE2 3.96Å; W340-F627 HydrophobicContact CH2-CE2 3.96Å; W340-F627 AromaticContact CH2-CZ 3.45Å; W340-F627 HydrophobicContact CH2-CZ 3.45Å; W340-F627 VanDerWaalsContact CH2-CZ 3.45Å; W340-F627 AromaticContact CZ2-CE2 3.92Å; W340-F627 HydrophobicContact CZ2-CE2 3.92Å; W340-F627 AromaticContact CZ2-CZ 3.62Å; W340-F627 HydrophobicContact CZ2-CZ 3.62Å; W340-F627 HydrophobicContact CZ3-CE1 4.04Å; W340-F627 HydrophobicContact CZ3-CE2 4.46Å; W340-F627 AromaticContact CZ3-CZ 3.53Å; W340-F627 HydrophobicContact CZ3-CZ 3.53Å; F588-F627 HydrophobicContact CD1-CB 4.26Å; F588-F627 HydrophobicContact CD1-CD1 4.4Å; F588-F627 AromaticContact CD1-CD2 3.57Å; F588-F627 HydrophobicContact CD1-CD2 3.57Å; F588-F627 AromaticContact CD1-CE2 3.92Å; F588-F627 HydrophobicContact CD1-CE2 3.92Å; F588-F627 AromaticContact CD1-CG 3.84Å; F588-F627 HydrophobicContact CD1-CG 3.84Å; F588-F627 HydrophobicContact CD1-CZ 4.46Å; F588-F627 HydrophobicContact CE1-CB 4.2Å; F588-F627 HydrophobicContact CE1-CD2 4.04Å; F588-F627 HydrophobicContact CE1-CG 4.25Å; F593-F627 HydrophobicContact CB-CE1 4.39Å; F593-F627 HydrophobicContact CD1-CE1 4.39Å; F593-F627 AromaticContact CD2-CD1 3.48Å; F593-F627 HydrophobicContact CD2-CD1 3.48Å; F593-F627 VanDerWaalsContact CD2-CD1 3.48Å; F593-F627 AromaticContact CD2-CE1 3.37Å; F593-F627 HydrophobicContact CD2-CE1 3.37Å; F593-F627 AromaticContact CE2-CD1 3.83Å; F593-F627 HydrophobicContact CE2-CD1 3.83Å; F593-F627 AromaticContact CE2-CE1 3.57Å; F593-F627 HydrophobicContact CE2-CE1 3.57Å; F593-F627 HydrophobicContact CG-CD1 4.22Å; F593-F627 AromaticContact CG-CE1 3.81Å; F593-F627 HydrophobicContact CG-CE1 3.81Å; F593-F627 HydrophobicContact CZ-CE1 4.18Å; A623-F627 WeakPolarHBondContact O-CB 3.05Å; A623-F627 PolarHBondContact O-N 3.42Å; I624-F627 HydrophobicContact CD1-CD1 4.33Å; I624-F627 PolarHBondContact O-N 2.89Å; F625-F627 VanDerWaalsContact C-N 3.34Å; F627-N630 PolarHBondContact O-N 3.23Å; F627-W631 AromaticContact CD2-CD1 3.43Å; F627-W631 VanDerWaalsContact CD2-CD1 3.43Å; F627-W631 HydrophobicContact CD2-CG 4.46Å; F627-W631 AromaticContact CD2-NE1 3.94Å; F627-W631 AromaticContact CE2-CD1 3.27Å; F627-W631 HydrophobicContact CE2-CG 4.12Å; F627-W631 AromaticContact CE2-NE1 3.56Å; F627-W631 WeakPolarHBondContact O-CB 3.48Å; F627-W631 PolarHBondContact O-N 3.44Å
628M92.3Very high92.2Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-58.5-52.3173.8-72.8-60-62.100111.2F593 F596 I624 N630 W631 T632 I634 L636F593-M628 HydrophobicContact CD2-SD 3.44Å; F593-M628 WeakPolarHBondContact CD2-SD 3.35Å; F593-M628 HydrophobicContact CE2-SD 3.39Å; F593-M628 WeakPolarHBondContact CE2-SD 3.23Å; F596-M628 HydrophobicContact CB-CE 3.89Å; F596-M628 HydrophobicContact CB-CG 4.03Å; F596-M628 HydrophobicContact CB-SD 3.69Å; F596-M628 HydrophobicContact CG-CG 4.33Å; I624-M628 HydrophobicContact CD1-CG 4.31Å; I624-M628 HydrophobicContact CG1-CG 4.34Å; I624-M628 WeakPolarHBondContact O-CB 3.38Å; I624-M628 VanDerWaalsContact O-CG 3.29Å; I624-M628 WeakPolarHBondContact O-CG 3.41Å; I624-M628 PolarHBondContact O-N 2.83Å; M628-N630 VanDerWaalsContact C-N 3.27Å; M628-N630 PolarHBondContact O-N 3.08Å; M628-W631 PolarHBondContact O-N 3.41Å; M628-T632 HydrophobicContact CE-CG2 4.09Å; M628-T632 WeakPolarHBondContact O-CA 3.43Å; M628-T632 WeakPolarHBondContact O-CB 3.42Å; M628-T632 PolarHBondContact O-N 3.1Å; M628-T632 PolarHBondContact O-OG1 3.16Å; M628-T632 HydrophobicContact SD-CG2 4.35Å; M628-I634 HydrophobicContact CE-CB 3.99Å; M628-I634 HydrophobicContact CE-CD1 3.63Å; M628-I634 HydrophobicContact CE-CG1 4.41Å; M628-I634 HydrophobicContact CE-CG2 3.85Å; M628-L636 HydrophobicContact CB-CD1 4.28Å
629T90.7Very high92Very high40 Ų4020.6 Ų20.625%0.24510%0.104CC..Hα-helixtrans-62.7-35.8-177.6-55.70000112R227 F625 E626R227-T629 PolarHBondContact NE-O 2.99Å; R227-T629 PolarHBondContact NH2-O 2.89Å; F625-T629 WeakPolarHBondContact O-CB 3.4Å; F625-T629 PolarHBondContact O-N 3.23Å; F625-T629 PolarHBondContact O-OG1 3.22Å; E626-T629 PolarHBondContact O-N 2.74Å
630N87.4Confident92Very high54 Ų5420.7 Ų20.729%0.28911%0.108SC..Hα-helixtrans-76.9-45-178.9-74.1-36.2000112.5I53 R227 R230 E626 F627 M628I53-N630 HydrophobicContact CD1-CB 3.6Å; R227-N630 WeakPolarHBondContact CD-O 3.22Å; R230-N630 VanDerWaalsContact CZ-O 3.23Å; R230-N630 PolarHBondContact NE-O 3.4Å; R230-N630 PolarHBondContact NH2-O 3.07Å; R230-N630 VanDerWaalsContact NH2-O 3.09Å; E626-N630 WeakPolarHBondContact O-CB 3.4Å; E626-N630 PolarHBondContact O-N 2.81Å; E626-N630 PolarHBondContact O-ND2 3.43Å; F627-N630 PolarHBondContact O-N 3.23Å; M628-N630 VanDerWaalsContact C-N 3.27Å; M628-N630 PolarHBondContact O-N 3.08Å
631W89.6Confident92Very high2 Ų220.8 Ų20.81%0.00811%0.108CC..Hα-helixtrans-93.2-14.7-173-79.798.9000115.2I53 F214 T216 R227 R230 N232 W340 L341 F627 M628I53-W631 HydrophobicContact CG1-CZ2 4.49Å; I53-W631 HydrophobicContact CG2-CZ2 4.24Å; F214-W631 AromaticContact CD2-CH2 3.89Å; F214-W631 HydrophobicContact CD2-CH2 3.89Å; F214-W631 HydrophobicContact CD2-CZ3 4.15Å; F214-W631 HydrophobicContact CE2-CE3 4.37Å; F214-W631 AromaticContact CE2-CH2 3.12Å; F214-W631 HydrophobicContact CE2-CH2 3.12Å; F214-W631 AromaticContact CE2-CZ2 3.75Å; F214-W631 HydrophobicContact CE2-CZ2 3.75Å; F214-W631 AromaticContact CE2-CZ3 3.48Å; F214-W631 HydrophobicContact CE2-CZ3 3.48Å; F214-W631 VanDerWaalsContact CE2-CZ3 3.48Å; F214-W631 AromaticContact CZ-CH2 3.74Å; F214-W631 HydrophobicContact CZ-CH2 3.74Å; F214-W631 AromaticContact CZ-CZ2 3.9Å; F214-W631 HydrophobicContact CZ-CZ2 3.9Å; F214-W631 HydrophobicContact CZ-CZ3 4.41Å; T216-W631 HydrophobicContact CG2-CZ3 4.27Å; R227-W631 WeakPolarHBondContact CB-O 3.3Å; R227-W631 PolarHBondContact N-O 3.15Å; R230-W631 HydrophobicContact CB-CD2 4.32Å; R230-W631 HydrophobicContact CB-CE3 3.63Å; R230-W631 HydrophobicContact CB-CH2 3.79Å; R230-W631 HydrophobicContact CB-CZ2 4.46Å; R230-W631 HydrophobicContact CB-CZ3 3.33Å; R230-W631 HydrophobicContact CG-CE3 4.22Å; R230-W631 HydrophobicContact CG-CZ3 4.39Å; N232-W631 HydrophobicContact CB-CH2 4.35Å; N232-W631 HydrophobicContact CB-CZ2 4.09Å; W340-W631 HydrophobicContact CH2-CB 4.04Å; W340-W631 AromaticContact CH2-CD2 3.47Å; W340-W631 HydrophobicContact CH2-CD2 3.47Å; W340-W631 VanDerWaalsContact CH2-CD2 3.47Å; W340-W631 AromaticContact CH2-CE2 3.92Å; W340-W631 AromaticContact CH2-CE3 3.76Å; W340-W631 HydrophobicContact CH2-CE3 3.76Å; W340-W631 AromaticContact CH2-CG 3.58Å; W340-W631 HydrophobicContact CH2-CG 3.58Å; W340-W631 HydrophobicContact CH2-CZ3 4.42Å; W340-W631 AromaticContact CZ2-CD2 3.89Å; W340-W631 HydrophobicContact CZ2-CD2 3.89Å; W340-W631 AromaticContact CZ2-CE2 3.85Å; W340-W631 HydrophobicContact CZ2-CE3 4.23Å; W340-W631 HydrophobicContact CZ2-CG 4.27Å; W340-W631 HydrophobicContact CZ2-CZ2 4.2Å; L341-W631 HydrophobicContact CD1-CE3 4.17Å; L341-W631 HydrophobicContact CD1-CZ3 4.37Å; F627-W631 AromaticContact CD2-CD1 3.43Å; F627-W631 VanDerWaalsContact CD2-CD1 3.43Å; F627-W631 HydrophobicContact CD2-CG 4.46Å; F627-W631 AromaticContact CD2-NE1 3.94Å; F627-W631 AromaticContact CE2-CD1 3.27Å; F627-W631 HydrophobicContact CE2-CG 4.12Å; F627-W631 AromaticContact CE2-NE1 3.56Å; F627-W631 WeakPolarHBondContact O-CB 3.48Å; F627-W631 PolarHBondContact O-N 3.44Å; M628-W631 PolarHBondContact O-N 3.41Å
632T92.8Very high91.8Very high0 Ų023.2 Ų23.20%013%0.126CC..BIsolated β-bridgetrans-125162.6-173.381.60000111.3A225 R227 I344 F593 M628 I634A225-T632 CarbonylContact O-C 3.58Å; A225-T632 WeakPolarHBondContact O-CA 3.08Å; A225-T632 VanDerWaalsContact O-CB 3.28Å; A225-T632 WeakPolarHBondContact O-CB 3.4Å; R227-T632 PolarHBondContact NE-O 3.35Å; R227-T632 PolarHBondContact NH2-O 2.96Å; I344-T632 HydrophobicContact CD1-CG2 3.37Å; F593-T632 HydrophobicContact CE2-CG2 4.21Å; F593-T632 HydrophobicContact CZ-CG2 4.42Å; M628-T632 HydrophobicContact CE-CG2 4.09Å; M628-T632 WeakPolarHBondContact O-CA 3.43Å; M628-T632 WeakPolarHBondContact O-CB 3.42Å; M628-T632 PolarHBondContact O-N 3.1Å; M628-T632 PolarHBondContact O-OG1 3.16Å; M628-T632 HydrophobicContact SD-CG2 4.35Å; T632-I634 VanDerWaalsContact C-N 3.29Å; T632-I634 WeakPolarHBondContact OG1-CB 3.26Å; T632-I634 PolarHBondContact OG1-N 3.48Å; T632-I634 VanDerWaalsContact OG1-N 3.16Å
633N91.2Very high91.6Very high52 Ų5223.6 Ų23.628%0.27813%0.126SC..  trans-93.88.5165.7-60.3-36.2000111.3R224 A225 T226 R227 L389R224-N633 WeakPolarHBondContact O-CB 2.87Å; R224-N633 PolarHBondContact O-ND2 3.17Å; A225-N633 PolarHBondContact O-N 3.33Å; T226-N633 PolarHBondContact O-ND2 3.24Å; T226-N633 VanDerWaalsContact O-ND2 3.14Å; R227-N633 WeakPolarHBondContact CG-OD1 3.34Å; L389-N633 HydrophobicContact CD1-CB 4.08Å
634I91.2Very high91.5Very high7 Ų723.6 Ų23.64%0.03613%0.125CC..PPolyproline II helixtrans-67.4132.3175.4-72.7167.2000108.9L389 R391 L597 M628 T632 L636L389-I634 HydrophobicContact CD2-CG1 4.48Å; L389-I634 CarbonylContact O-C 3.44Å; L389-I634 VanDerWaalsContact O-CA 3.26Å; L389-I634 WeakPolarHBondContact O-CA 3.28Å; L389-I634 WeakPolarHBondContact O-CG2 3.35Å; R391-I634 HydrophobicContact CB-CG2 4.07Å; R391-I634 HydrophobicContact CG-CG2 3.31Å; L597-I634 HydrophobicContact CD1-CD1 3.77Å; M628-I634 HydrophobicContact CE-CB 3.99Å; M628-I634 HydrophobicContact CE-CD1 3.63Å; M628-I634 HydrophobicContact CE-CG1 4.41Å; M628-I634 HydrophobicContact CE-CG2 3.85Å; T632-I634 VanDerWaalsContact C-N 3.29Å; T632-I634 WeakPolarHBondContact OG1-CB 3.26Å; T632-I634 PolarHBondContact OG1-N 3.48Å; T632-I634 VanDerWaalsContact OG1-N 3.16Å; I634-L636 HydrophobicContact CG2-CD2 4.1Å
635K89.5Confident91.5Very high104 Ų10423.7 Ų23.745%0.45213%0.126SC..EExtended strand (participates in β ladder)trans-100.1118.7175.1-61.3179-179.1177.60108.5E386 L389 L390 R391E386-K635 IonicContact OE2-NZ 3.93Å; E386-K635 PolarHBondContact OE2-NZ 2.63Å; L389-K635 PolarHBondContact O-N 3.39Å; L390-K635 WeakPolarHBondContact CA-O 3.46Å; L390-K635 HydrophobicContact CD2-CB 3.9Å; L390-K635 HydrophobicContact CD2-CD 4.31Å; R391-K635 PolarHBondContact N-O 3.34Å
636L93.1Very high91.2Very high6 Ų628 Ų283%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-82.5136.3173-57.6-176.7000109.1R391 I428 F596 F625 M628 I634R391-L636 HydrophobicContact CB-CD2 3.85Å; R391-L636 HydrophobicContact CG-CD2 4.47Å; R391-L636 WeakPolarHBondContact O-CA 3.38Å; I428-L636 HydrophobicContact CD1-CB 3.84Å; I428-L636 HydrophobicContact CD1-CD1 3.82Å; I428-L636 HydrophobicContact CG1-CB 3.86Å; I428-L636 HydrophobicContact CG1-CD1 4.42Å; I428-L636 HydrophobicContact CG2-CB 4.35Å; F596-L636 HydrophobicContact CD1-CD2 3.84Å; F596-L636 HydrophobicContact CE1-CD2 4.3Å; F625-L636 HydrophobicContact CB-CD1 4.26Å; F625-L636 HydrophobicContact CD1-CD1 3.45Å; F625-L636 VanDerWaalsContact CD1-CD1 3.45Å; F625-L636 HydrophobicContact CE1-CD1 4.05Å; F625-L636 HydrophobicContact CG-CD1 4.08Å; M628-L636 HydrophobicContact CB-CD1 4.28Å; I634-L636 HydrophobicContact CG2-CD2 4.1Å
637I91Very high91Very high18 Ų1825.8 Ų25.89%0.09214%0.139CC..EExtended strand (participates in β ladder)trans-138.3153.617951178.8000109.5M379 L390 R391 W392 V393M379-I637 HydrophobicContact CE-CD1 3.69Å; M379-I637 HydrophobicContact SD-CD1 3.86Å; L390-I637 HydrophobicContact CB-CD1 4.06Å; L390-I637 HydrophobicContact CD1-CD1 4.01Å; L390-I637 HydrophobicContact CD2-CD1 4.29Å; L390-I637 HydrophobicContact CG-CD1 4.35Å; R391-I637 WeakPolarHBondContact O-CG1 3.1Å; R391-I637 PolarHBondContact O-N 2.85Å; W392-I637 CarbonylContact C-O 3.58Å; W392-I637 VanDerWaalsContact CA-O 3.29Å; W392-I637 WeakPolarHBondContact CA-O 3.44Å; W392-I637 HydrophobicContact CD2-CD1 3.66Å; W392-I637 HydrophobicContact CD2-CG1 4.06Å; W392-I637 HydrophobicContact CE3-CD1 4.31Å; W392-I637 HydrophobicContact CG-CD1 3.99Å; W392-I637 HydrophobicContact CG-CG1 3.93Å; W392-I637 HydrophobicContact CH2-CD1 4.16Å; W392-I637 HydrophobicContact CZ2-CD1 3.51Å; W392-I637 VanDerWaalsContact NE1-CD1 3.3Å; V393-I637 PolarHBondContact N-O 2.94Å
638T93.5Very high90.9Very high14 Ų1425.4 Ų25.49%0.08614%0.137CC..  trans-118.5151.6172.8-157.30000110V393 E430 W464V393-T638 WeakPolarHBondContact O-CA 3.32Å; V393-T638 WeakPolarHBondContact O-CB 3.2Å; V393-T638 PolarHBondContact O-OG1 3.19Å; E430-T638 WeakPolarHBondContact O-CG2 3.4Å; W464-T638 HydrophobicContact CH2-CG2 4.13Å
639S91.3Very high90.8Very high4 Ų426 Ų263%0.02814%0.141CC..  trans-143.7152172.9-65.60000109.3E643S639-E643 WeakPolarHBondContact CB-OE1 3.48Å; S639-E643 PolarHBondContact OG-OE1 2.92Å
640P92.9Very high90.4Very high34 Ų3426.5 Ų26.522%0.22114%0.141CC..  trans-54.7151.3168.4-25.434.7000111.8W464 S642 E643 L644W464-P640 HydrophobicContact CH2-CB 4.4Å; W464-P640 VanDerWaalsContact CH2-CD 3.5Å; W464-P640 HydrophobicContact CH2-CG 3.72Å; W464-P640 HydrophobicContact CZ2-CG 3.72Å; W464-P640 HydrophobicContact CZ3-CB 4.48Å; W464-P640 HydrophobicContact CZ3-CG 4.27Å; P640-S642 VanDerWaalsContact C-N 3.27Å; P640-S642 PolarHBondContact O-N 3.4Å; P640-S642 VanDerWaalsContact O-N 3.15Å; P640-E643 PolarHBondContact O-N 3.29Å; P640-E643 VanDerWaalsContact O-N 3.13Å; P640-L644 PolarHBondContact O-N 3.19Å
641P93.7Very high90.1Very high1 Ų125.1 Ų25.11%0.00613%0.132CC..Hα-helixtrans-54.7-36.2-176.7-26.232.8000115L394 Q502 Y505 L644 A645L394-P641 HydrophobicContact CD2-CB 4.44Å; L394-P641 HydrophobicContact CD2-CG 3.89Å; Q502-P641 VanDerWaalsContact OE1-CG 3.27Å; Y505-P641 HydrophobicContact CD1-CB 3.75Å; Y505-P641 HydrophobicContact CD1-CG 3.42Å; Y505-P641 VanDerWaalsContact CD1-CG 3.42Å; Y505-P641 HydrophobicContact CD2-CB 3.56Å; Y505-P641 HydrophobicContact CD2-CG 4.2Å; Y505-P641 HydrophobicContact CE1-CB 4.13Å; Y505-P641 HydrophobicContact CE1-CG 3.77Å; Y505-P641 HydrophobicContact CE2-CB 3.95Å; Y505-P641 HydrophobicContact CE2-CG 4.49Å; Y505-P641 HydrophobicContact CG-CB 3.45Å; Y505-P641 VanDerWaalsContact CG-CB 3.45Å; Y505-P641 HydrophobicContact CG-CG 3.67Å; P641-L644 PolarHBondContact O-N 3.48Å; P641-A645 WeakPolarHBondContact O-CB 3.5Å; P641-A645 PolarHBondContact O-N 3.43Å
642S91.7Very high89.8Confident52 Ų5225.2 Ų25.236%0.36413%0.132SC..Hα-helixtrans-66.6-4317951.10000112.8P640 A645 N646P640-S642 VanDerWaalsContact C-N 3.27Å; P640-S642 PolarHBondContact O-N 3.4Å; P640-S642 VanDerWaalsContact O-N 3.15Å; S642-A645 PolarHBondContact O-N 2.94Å; S642-N646 PolarHBondContact O-N 2.94Å; S642-N646 PolarHBondContact O-ND2 3.35Å
643E89.5Confident89.4Confident49 Ų4931.2 Ų31.223%0.22916%0.158CC..Hα-helixtrans-66.8-43.5173.8-172.5-173130.200110.6I375 S639 P640 A645 N646 I647I375-E643 HydrophobicContact CD1-CG 3.61Å; I375-E643 HydrophobicContact CG1-CG 4.12Å; I375-E643 WeakPolarHBondContact CG2-OE1 3.44Å; S639-E643 WeakPolarHBondContact CB-OE1 3.48Å; S639-E643 PolarHBondContact OG-OE1 2.92Å; P640-E643 PolarHBondContact O-N 3.29Å; P640-E643 VanDerWaalsContact O-N 3.13Å; E643-A645 PolarHBondContact O-N 3.11Å; E643-N646 PolarHBondContact O-N 3.49Å; E643-N646 VanDerWaalsContact O-N 3.14Å; E643-I647 HydrophobicContact CG-CD1 4.13Å; E643-I647 WeakPolarHBondContact O-CG1 3.47Å; E643-I647 PolarHBondContact O-N 3.32Å
644L91Very high88.9Confident2 Ų234.6 Ų34.61%0.0118%0.176CC..Hα-helixtrans-59.6-37.8177.5-169.160000111.9W392 L394 L559 V601 I603 P640 P641 I647 Y648W392-L644 HydrophobicContact CB-CD1 3.49Å; W392-L644 VanDerWaalsContact CB-CD1 3.49Å; W392-L644 HydrophobicContact CG-CD1 3.82Å; L394-L644 HydrophobicContact CB-CD2 4.12Å; L394-L644 HydrophobicContact CD2-CD2 4.28Å; L559-L644 HydrophobicContact CD1-CG 4.49Å; V601-L644 HydrophobicContact CB-CD1 4.36Å; V601-L644 HydrophobicContact CG1-CD1 3.56Å; V601-L644 HydrophobicContact CG1-CD2 3.97Å; V601-L644 HydrophobicContact CG1-CG 3.79Å; V601-L644 HydrophobicContact CG2-CD1 4Å; I603-L644 HydrophobicContact CD1-CD2 3.81Å; I603-L644 HydrophobicContact CG1-CD2 3.61Å; P640-L644 PolarHBondContact O-N 3.19Å; P641-L644 PolarHBondContact O-N 3.48Å; L644-I647 PolarHBondContact O-N 3.39Å; L644-Y648 VanDerWaalsContact O-CB 3.23Å; L644-Y648 WeakPolarHBondContact O-CB 3.3Å; L644-Y648 PolarHBondContact O-N 2.72Å
645A93.1Very high88.4Confident2 Ų238.6 Ų38.62%0.01719%0.191CC..Hα-helixtrans-62.7-44175.800000112.5V533 Q557 L559 P641 S642 E643 I647 Y648 S649V533-A645 HydrophobicContact CB-CB 4.32Å; V533-A645 HydrophobicContact CG1-CB 3.79Å; V533-A645 HydrophobicContact CG2-CB 3.45Å; V533-A645 VanDerWaalsContact CG2-CB 3.45Å; Q557-A645 HydrophobicContact CB-CB 4.37Å; Q557-A645 HydrophobicContact CG-CB 4.16Å; L559-A645 HydrophobicContact CD1-CB 4.15Å; L559-A645 HydrophobicContact CD2-CB 3.99Å; L559-A645 HydrophobicContact CG-CB 4.47Å; P641-A645 WeakPolarHBondContact O-CB 3.5Å; P641-A645 PolarHBondContact O-N 3.43Å; S642-A645 PolarHBondContact O-N 2.94Å; E643-A645 PolarHBondContact O-N 3.11Å; A645-I647 PolarHBondContact O-N 3.32Å; A645-Y648 PolarHBondContact O-N 2.91Å; A645-S649 WeakPolarHBondContact O-CB 3.41Å; A645-S649 PolarHBondContact O-N 3.48Å; A645-S649 PolarHBondContact O-OG 3.48Å; A645-S649 VanDerWaalsContact O-OG 3.13Å
646N89.4Confident88.2Confident90 Ų9034.7 Ų34.748%0.48118%0.18SC..Hα-helixtrans-62.5-44.7177.2-66.8-27.9000111F372 S642 E643 Y648 S649 E650F372-N646 VanDerWaalsContact CE1-C 3.41Å; F372-N646 HydrophobicContact CE1-CB 3.54Å; F372-N646 WeakPolarHBondContact CE1-O 3.36Å; F372-N646 HydrophobicContact CZ-CB 3.8Å; F372-N646 WeakPolarHBondContact CZ-O 3.28Å; S642-N646 PolarHBondContact O-N 2.94Å; S642-N646 PolarHBondContact O-ND2 3.35Å; E643-N646 PolarHBondContact O-N 3.49Å; E643-N646 VanDerWaalsContact O-N 3.14Å; N646-Y648 VanDerWaalsContact C-N 3.35Å; N646-Y648 PolarHBondContact O-N 2.97Å; N646-S649 PolarHBondContact O-N 2.97Å; N646-E650 PolarHBondContact O-N 3.18Å; N646-E650 VanDerWaalsContact O-N 3.15Å
647I85.9Confident88.1Confident1 Ų134.4 Ų34.41%0.00518%0.179CC..Hα-helixtrans-60.9-46.3177.7-65.7168.5000110.4F368 F372 I375 W392 V601 E643 L644 A645 R651F368-I647 HydrophobicContact CE1-CG2 4.18Å; F368-I647 HydrophobicContact CZ-CG2 4.26Å; F372-I647 HydrophobicContact CD1-CG1 4.43Å; I375-I647 HydrophobicContact CD1-CD1 4.32Å; I375-I647 HydrophobicContact CD1-CG1 4.12Å; I375-I647 HydrophobicContact CG2-CD1 4.13Å; W392-I647 HydrophobicContact CD2-CD1 4.42Å; W392-I647 HydrophobicContact CD2-CG2 4.12Å; W392-I647 HydrophobicContact CE3-CG2 4.19Å; W392-I647 HydrophobicContact CH2-CG2 4.23Å; W392-I647 HydrophobicContact CZ2-CD1 4.01Å; W392-I647 HydrophobicContact CZ2-CG2 4.09Å; W392-I647 HydrophobicContact CZ3-CG2 4.26Å; W392-I647 VanDerWaalsContact NE1-CD1 3.29Å; V601-I647 HydrophobicContact CG2-CG2 4.38Å; E643-I647 HydrophobicContact CG-CD1 4.13Å; E643-I647 WeakPolarHBondContact O-CG1 3.47Å; E643-I647 PolarHBondContact O-N 3.32Å; L644-I647 PolarHBondContact O-N 3.39Å; A645-I647 PolarHBondContact O-N 3.32Å; I647-R651 HydrophobicContact CG2-CG 4.35Å; I647-R651 VanDerWaalsContact O-CB 3.28Å; I647-R651 WeakPolarHBondContact O-CB 3.44Å; I647-R651 VanDerWaalsContact O-CG 3.29Å; I647-R651 WeakPolarHBondContact O-CG 3.35Å; I647-R651 PolarHBondContact O-N 2.94Å
648Y89.2Confident88.2Confident2 Ų236 Ų361%0.00819%0.187CC..Hα-helixtrans-64.6-46.4180-171-102.5000111.7S549 G550 L559 P560 V601 L644 A645 N646 E650 R651 F652 V657S549-Y648 WeakPolarHBondContact CA-OH 3.24Å; G550-Y648 PolarHBondContact N-OH 3.12Å; L559-Y648 HydrophobicContact CD2-CD1 3.69Å; L559-Y648 HydrophobicContact CD2-CG 4.04Å; P560-Y648 VanDerWaalsContact CD-CE1 3.48Å; P560-Y648 HydrophobicContact CG-CD2 4.5Å; P560-Y648 HydrophobicContact CG-CE1 4.13Å; P560-Y648 HydrophobicContact CG-CE2 3.64Å; P560-Y648 VanDerWaalsContact CG-CZ 3.46Å; P560-Y648 WeakPolarHBondContact CG-OH 3.31Å; V601-Y648 HydrophobicContact CB-CD2 3.83Å; V601-Y648 HydrophobicContact CB-CE2 4.47Å; V601-Y648 HydrophobicContact CG1-CD2 3.9Å; V601-Y648 HydrophobicContact CG2-CD2 4.11Å; L644-Y648 VanDerWaalsContact O-CB 3.23Å; L644-Y648 WeakPolarHBondContact O-CB 3.3Å; L644-Y648 PolarHBondContact O-N 2.72Å; A645-Y648 PolarHBondContact O-N 2.91Å; N646-Y648 VanDerWaalsContact C-N 3.35Å; N646-Y648 PolarHBondContact O-N 2.97Å; Y648-E650 VanDerWaalsContact C-N 3.33Å; Y648-E650 PolarHBondContact O-N 2.92Å; Y648-R651 PolarHBondContact O-N 3.43Å; Y648-F652 AromaticContact CD2-CD2 3.39Å; Y648-F652 HydrophobicContact CD2-CD2 3.39Å; Y648-F652 AromaticContact CD2-CE2 3.46Å; Y648-F652 HydrophobicContact CD2-CE2 3.46Å; Y648-F652 VanDerWaalsContact CD2-CE2 3.46Å; Y648-F652 HydrophobicContact CD2-CG 4.45Å; Y648-F652 HydrophobicContact CE1-CD2 4.43Å; Y648-F652 AromaticContact CE2-CD2 3.26Å; Y648-F652 HydrophobicContact CE2-CD2 3.26Å; Y648-F652 AromaticContact CE2-CE2 3.26Å; Y648-F652 HydrophobicContact CE2-CE2 3.26Å; Y648-F652 HydrophobicContact CE2-CG 4Å; Y648-F652 AromaticContact CE2-CZ 3.99Å; Y648-F652 HydrophobicContact CE2-CZ 3.99Å; Y648-F652 HydrophobicContact CG-CD2 4.02Å; Y648-F652 HydrophobicContact CG-CE2 4.48Å; Y648-F652 AromaticContact CZ-CD2 3.79Å; Y648-F652 WeakPolarHBondContact O-CD2 3.46Å; Y648-F652 PolarHBondContact O-N 3.15Å; Y648-V657 HydrophobicContact CD1-CG2 3.46Å; Y648-V657 VanDerWaalsContact CD1-CG2 3.46Å; Y648-V657 HydrophobicContact CE1-CB 4.36Å; Y648-V657 HydrophobicContact CE1-CG2 3.18Å
649S89.5Confident88.2Confident12 Ų1239.1 Ų39.18%0.08420%0.201CC..Hα-helixtrans-59.9-38.2178.9-74.30000113.5Q557 A645 N646 K653 V657 N658Q557-S649 VanDerWaalsContact CD-OG 3.25Å; Q557-S649 PolarHBondContact OE1-OG 2.9Å; A645-S649 WeakPolarHBondContact O-CB 3.41Å; A645-S649 PolarHBondContact O-N 3.48Å; A645-S649 PolarHBondContact O-OG 3.48Å; A645-S649 VanDerWaalsContact O-OG 3.13Å; N646-S649 PolarHBondContact O-N 2.97Å; S649-K653 WeakPolarHBondContact O-CA 3.27Å; S649-K653 WeakPolarHBondContact O-CB 3.32Å; S649-K653 PolarHBondContact O-N 3.48Å; S649-V657 WeakPolarHBondContact O-CG1 3.46Å; S649-N658 VanDerWaalsContact CB-OD1 3.32Å; S649-N658 WeakPolarHBondContact CB-OD1 3.46Å; S649-N658 PolarHBondContact O-ND2 3.28Å; S649-N658 VanDerWaalsContact O-ND2 3.16Å; S649-N658 PolarHBondContact OG-OD1 3.13Å
650E82.6Confident88.5Confident50 Ų5040.2 Ų40.223%0.23421%0.207CC..Hα-helixtrans-74.9-48.4174.9-74.8-6610300112.1S369 F372 N646 Y648 F652 K653S369-E650 PolarHBondContact OG-OE2 2.8Å; F372-E650 HydrophobicContact CD2-CG 3.7Å; F372-E650 HydrophobicContact CE1-CG 4Å; F372-E650 HydrophobicContact CE2-CB 4.32Å; F372-E650 HydrophobicContact CE2-CG 3.08Å; F372-E650 HydrophobicContact CG-CG 4.42Å; F372-E650 HydrophobicContact CZ-CB 4.3Å; F372-E650 HydrophobicContact CZ-CG 3.24Å; N646-E650 PolarHBondContact O-N 3.18Å; N646-E650 VanDerWaalsContact O-N 3.15Å; Y648-E650 VanDerWaalsContact C-N 3.33Å; Y648-E650 PolarHBondContact O-N 2.92Å; E650-F652 PolarHBondContact O-N 3.2Å; E650-K653 WeakPolarHBondContact O-CB 3.5Å; E650-K653 PolarHBondContact O-N 3.1Å
651R79.7Confident88.6Confident26 Ų2638.6 Ų38.610%0.09820%0.196CC..Hα-helixtrans-58-40.4-177.4-80.2-71.4-172144.28.4111.1S361 P363 F368 L387 I647 Y648S361-R651 PolarHBondContact OG-NH1 3.33Å; P363-R651 WeakPolarHBondContact CD-O 3.38Å; P363-R651 WeakPolarHBondContact CG-O 3.37Å; F368-R651 HydrophobicContact CE1-CG 3.72Å; F368-R651 HydrophobicContact CZ-CG 4.11Å; F368-R651 VanDerWaalsContact CZ-NH2 3.28Å; L387-R651 PolarHBondContact O-NH2 3.29Å; L387-R651 VanDerWaalsContact O-NH2 3.09Å; I647-R651 HydrophobicContact CG2-CG 4.35Å; I647-R651 VanDerWaalsContact O-CB 3.28Å; I647-R651 WeakPolarHBondContact O-CB 3.44Å; I647-R651 VanDerWaalsContact O-CG 3.29Å; I647-R651 WeakPolarHBondContact O-CG 3.35Å; I647-R651 PolarHBondContact O-N 2.94Å; Y648-R651 PolarHBondContact O-N 3.43Å
652F85.2Confident88.6Confident3 Ų341.9 Ų41.91%0.01321%0.213CC..THydrogen-bonded Turntrans-102.215.8-176.7-65.5-86.5000113.8L115 P363 F547 P600 Y648 E650 L654 Y655 V657L115-F652 HydrophobicContact CD1-CD1 4.3Å; L115-F652 HydrophobicContact CD1-CE1 3.94Å; P363-F652 HydrophobicContact CG-CD1 4.06Å; P363-F652 HydrophobicContact CG-CE1 4.37Å; F547-F652 HydrophobicContact CE1-CD1 4.5Å; F547-F652 HydrophobicContact CE1-CE1 4.38Å; F547-F652 HydrophobicContact CE2-CD1 4.32Å; F547-F652 AromaticContact CE2-CE1 3.47Å; F547-F652 HydrophobicContact CE2-CE1 3.47Å; F547-F652 VanDerWaalsContact CE2-CE1 3.47Å; F547-F652 AromaticContact CE2-CZ 3.87Å; F547-F652 HydrophobicContact CE2-CZ 3.87Å; F547-F652 AromaticContact CZ-CD1 3.63Å; F547-F652 HydrophobicContact CZ-CD1 3.63Å; F547-F652 AromaticContact CZ-CE1 3.22Å; F547-F652 HydrophobicContact CZ-CE1 3.22Å; F547-F652 AromaticContact CZ-CZ 3.92Å; F547-F652 HydrophobicContact CZ-CZ 3.92Å; P600-F652 HydrophobicContact CG-CE2 3.64Å; P600-F652 HydrophobicContact CG-CZ 3.4Å; Y648-F652 AromaticContact CD2-CD2 3.39Å; Y648-F652 HydrophobicContact CD2-CD2 3.39Å; Y648-F652 AromaticContact CD2-CE2 3.46Å; Y648-F652 HydrophobicContact CD2-CE2 3.46Å; Y648-F652 VanDerWaalsContact CD2-CE2 3.46Å; Y648-F652 HydrophobicContact CD2-CG 4.45Å; Y648-F652 HydrophobicContact CE1-CD2 4.43Å; Y648-F652 AromaticContact CE2-CD2 3.26Å; Y648-F652 HydrophobicContact CE2-CD2 3.26Å; Y648-F652 AromaticContact CE2-CE2 3.26Å; Y648-F652 HydrophobicContact CE2-CE2 3.26Å; Y648-F652 HydrophobicContact CE2-CG 4Å; Y648-F652 AromaticContact CE2-CZ 3.99Å; Y648-F652 HydrophobicContact CE2-CZ 3.99Å; Y648-F652 HydrophobicContact CG-CD2 4.02Å; Y648-F652 HydrophobicContact CG-CE2 4.48Å; Y648-F652 AromaticContact CZ-CD2 3.79Å; Y648-F652 WeakPolarHBondContact O-CD2 3.46Å; Y648-F652 PolarHBondContact O-N 3.15Å; E650-F652 PolarHBondContact O-N 3.2Å; F652-L654 PolarHBondContact O-N 2.91Å; F652-L654 VanDerWaalsContact O-N 3.08Å; F652-Y655 WeakPolarHBondContact O-CA 3.4Å; F652-Y655 WeakPolarHBondContact O-CB 3.27Å; F652-Y655 PolarHBondContact O-N 2.87Å; F652-V657 HydrophobicContact CB-CB 3.82Å; F652-V657 HydrophobicContact CB-CG1 3.79Å; F652-V657 HydrophobicContact CB-CG2 4.26Å; F652-V657 WeakPolarHBondContact O-CG1 3.46Å
653K83.3Confident88.8Confident126 Ų12639.8 Ų39.855%0.54820%0.197SC..G310 helixtrans-51.6-37.4-174.8-176.8173.9179.6174.60114.2S649 E650 Y655S649-K653 WeakPolarHBondContact O-CA 3.27Å; S649-K653 WeakPolarHBondContact O-CB 3.32Å; S649-K653 PolarHBondContact O-N 3.48Å; E650-K653 WeakPolarHBondContact O-CB 3.5Å; E650-K653 PolarHBondContact O-N 3.1Å; K653-Y655 VanDerWaalsContact C-N 3.27Å; K653-Y655 PolarHBondContact O-N 3.42Å
654L81.1Confident88.9Confident123 Ų12339 Ų3964%0.64420%0.197SC*.G310 helixtrans-820.5-179.8-60.5178.9000114.2F652F652-L654 PolarHBondContact O-N 2.91Å; F652-L654 VanDerWaalsContact O-N 3.08Å
655Y81.4Confident89Confident91 Ų9139.2 Ų39.236%0.35720%0.198SC..G310 helixtrans-116.421.5-173.1-67.1-97.5000112.4L115 P363 F652 K653 V657L115-Y655 HydrophobicContact CB-CE1 3.73Å; L115-Y655 HydrophobicContact CD1-CD1 3.96Å; L115-Y655 HydrophobicContact CD1-CE1 3.8Å; L115-Y655 HydrophobicContact CD1-CG 4.43Å; L115-Y655 HydrophobicContact CD2-CD1 4.24Å; L115-Y655 HydrophobicContact CD2-CE1 4.07Å; L115-Y655 HydrophobicContact CG-CE1 4.08Å; L115-Y655 PolarHBondContact O-OH 3.42Å; P363-Y655 HydrophobicContact CB-CD2 3.69Å; P363-Y655 HydrophobicContact CB-CE1 4.21Å; P363-Y655 HydrophobicContact CB-CE2 2.97Å; P363-Y655 VanDerWaalsContact CB-OH 3.26Å; P363-Y655 WeakPolarHBondContact CB-OH 3.39Å; P363-Y655 HydrophobicContact CG-CD2 3.49Å; P363-Y655 VanDerWaalsContact CG-CD2 3.49Å; P363-Y655 HydrophobicContact CG-CE2 3.28Å; P363-Y655 HydrophobicContact CG-CG 4.47Å; F652-Y655 WeakPolarHBondContact O-CA 3.4Å; F652-Y655 WeakPolarHBondContact O-CB 3.27Å; F652-Y655 PolarHBondContact O-N 2.87Å; K653-Y655 VanDerWaalsContact C-N 3.27Å; K653-Y655 PolarHBondContact O-N 3.42Å; Y655-V657 VanDerWaalsContact C-N 3.28Å; Y655-V657 PolarHBondContact O-N 3.46Å
656G85.3Confident88.9Confident22 Ų2239.1 Ų39.123%0.22720%0.198CC..THydrogen-bonded Turntrans76.39.6174.700000114.9N658 E659G656-N658 PolarHBondContact O-N 3.27Å; G656-N658 VanDerWaalsContact O-N 3.17Å; G656-E659 WeakPolarHBondContact O-CB 3.39Å; G656-E659 PolarHBondContact O-N 2.92Å
657V90Very high89.1Confident0 Ų037 Ų370%019%0.189CC..THydrogen-bonded Turntrans-59.9-28.3-178.969.50000114.3F551 R552 Q557 Y648 S649 F652 Y655 E659F551-V657 CarbonylContact C-O 3.57Å; F551-V657 VanDerWaalsContact CA-O 3.24Å; F551-V657 WeakPolarHBondContact CA-O 3.33Å; R552-V657 PolarHBondContact N-O 3.46Å; Q557-V657 PolarHBondContact NE2-O 2.93Å; Y648-V657 HydrophobicContact CD1-CG2 3.46Å; Y648-V657 VanDerWaalsContact CD1-CG2 3.46Å; Y648-V657 HydrophobicContact CE1-CB 4.36Å; Y648-V657 HydrophobicContact CE1-CG2 3.18Å; S649-V657 WeakPolarHBondContact O-CG1 3.46Å; F652-V657 HydrophobicContact CB-CB 3.82Å; F652-V657 HydrophobicContact CB-CG1 3.79Å; F652-V657 HydrophobicContact CB-CG2 4.26Å; F652-V657 WeakPolarHBondContact O-CG1 3.46Å; Y655-V657 VanDerWaalsContact C-N 3.28Å; Y655-V657 PolarHBondContact O-N 3.46Å; V657-E659 VanDerWaalsContact C-N 3.35Å
658N93.2Very high89.2Confident52 Ų5243.7 Ų43.728%0.27822%0.215SC..THydrogen-bonded Turntrans-954.5179.4-61.9-46000112S649 G656S649-N658 VanDerWaalsContact CB-OD1 3.32Å; S649-N658 WeakPolarHBondContact CB-OD1 3.46Å; S649-N658 PolarHBondContact O-ND2 3.28Å; S649-N658 VanDerWaalsContact O-ND2 3.16Å; S649-N658 PolarHBondContact OG-OD1 3.13Å; G656-N658 PolarHBondContact O-N 3.27Å; G656-N658 VanDerWaalsContact O-N 3.17Å
659E94.2Very high89.1Confident79 Ų7944.9 Ų44.937%0.36922%0.221SC..SBendtrans-100166.7-180-57.6-167.9-148.500111.7R552 G656 V657 K790R552-E659 PolarHBondContact N-O 3.23Å; G656-E659 WeakPolarHBondContact O-CB 3.39Å; G656-E659 PolarHBondContact O-N 2.92Å; V657-E659 VanDerWaalsContact C-N 3.35Å; E659-K790 WeakPolarHBondContact OE2-CE 3.4Å; E659-K790 IonicContact OE2-NZ 2.98Å; E659-K790 PolarHBondContact OE2-NZ 3.44Å
660L96.9Very high89.1Confident28 Ų2849.2 Ų49.215%0.14725%0.251CS..PPolyproline II helixtrans-59.9148.4170.7-68.4168.1000110.9R552 Y553 D733 Y736R552-L660 WeakPolarHBondContact O-CA 3.37Å; Y553-L660 HydrophobicContact CD2-CD2 3.86Å; L660-D733 HydrophobicContact CD1-CB 4.09Å; L660-D733 VanDerWaalsContact CD1-O 3.24Å; L660-D733 WeakPolarHBondContact CD1-O 3.35Å; L660-Y736 HydrophobicContact CB-CD1 3.82Å; L660-Y736 HydrophobicContact CB-CE1 4.09Å; L660-Y736 HydrophobicContact CD1-CD1 3.83Å; L660-Y736 HydrophobicContact CG-CD1 4.48Å
661P95.6Very high89.4Confident0 Ų050.1 Ų50.10%026%0.255CS..PPolyproline II helixtrans-65.3144.3-177.527.8-33.4000111.1Y515 V517 Y539 F551 Y663 Y736Y515-P661 HydrophobicContact CD2-CB 4.28Å; Y515-P661 HydrophobicContact CE2-CB 4.11Å; V517-P661 HydrophobicContact CG2-CG 4.06Å; Y539-P661 HydrophobicContact CD2-CB 4.36Å; Y539-P661 HydrophobicContact CE2-CB 3.8Å; F551-P661 HydrophobicContact CB-CB 4.12Å; F551-P661 HydrophobicContact CD1-CB 4.1Å; F551-P661 HydrophobicContact CD2-CB 3.71Å; F551-P661 HydrophobicContact CD2-CG 3.73Å; F551-P661 HydrophobicContact CE1-CB 4.39Å; F551-P661 HydrophobicContact CE2-CB 4.03Å; F551-P661 HydrophobicContact CE2-CG 3.83Å; F551-P661 HydrophobicContact CG-CB 3.72Å; F551-P661 HydrophobicContact CG-CG 4.27Å; F551-P661 HydrophobicContact CZ-CB 4.35Å; F551-P661 HydrophobicContact CZ-CG 4.45Å; P661-Y663 HydrophobicContact CG-CD1 4.24Å; P661-Y663 HydrophobicContact CG-CE1 3.66Å; P661-Y663 PolarHBondContact O-N 2.76Å; P661-Y736 WeakPolarHBondContact O-CE1 3.34Å; P661-Y736 PolarHBondContact O-OH 2.98Å
662L93.9Very high90Very high70 Ų7049 Ų4937%0.36625%0.251SS..  trans-72.199.8167.8-67.2-180000108.9Y515 Y539 S664 A793 R794 A797Y515-L662 PolarHBondContact OH-O 2.87Å; Y539-L662 PolarHBondContact OH-N 3.08Å; L662-S664 PolarHBondContact O-N 3.42Å; L662-A793 HydrophobicContact CD2-CB 4.23Å; L662-R794 HydrophobicContact CD2-CB 4.49Å; L662-R794 HydrophobicContact CD2-CG 3.82Å; L662-A797 HydrophobicContact CB-CB 3.82Å
663Y94.2Very high90.4Very high7 Ų753.3 Ų53.33%0.02727%0.271CS..  trans-66.7131.1-178.7-64.2-63.8000112.5Y515 V517 P661 Y736 V740 A797 L798Y515-Y663 HydrophobicContact CE2-CD1 4.33Å; V517-Y663 HydrophobicContact CB-CE1 4.15Å; V517-Y663 HydrophobicContact CG2-CE1 4Å; P661-Y663 HydrophobicContact CG-CD1 4.24Å; P661-Y663 HydrophobicContact CG-CE1 3.66Å; P661-Y663 PolarHBondContact O-N 2.76Å; Y663-Y736 HydrophobicContact CD2-CD1 4.39Å; Y663-Y736 HydrophobicContact CD2-CD2 4.38Å; Y663-Y736 AromaticContact CD2-CE1 3.74Å; Y663-Y736 HydrophobicContact CD2-CE1 3.74Å; Y663-Y736 AromaticContact CD2-CE2 3.71Å; Y663-Y736 HydrophobicContact CD2-CE2 3.71Å; Y663-Y736 AromaticContact CD2-CZ 3.34Å; Y663-Y736 WeakPolarHBondContact CD2-OH 3.29Å; Y663-Y736 HydrophobicContact CE2-CD1 4.05Å; Y663-Y736 AromaticContact CE2-CE1 3.75Å; Y663-Y736 HydrophobicContact CE2-CE1 3.75Å; Y663-Y736 HydrophobicContact CE2-CE2 4.24Å; Y663-Y736 HydrophobicContact CE2-CG 4.43Å; Y663-Y736 AromaticContact CE2-CZ 3.85Å; Y663-Y736 WeakPolarHBondContact CE2-O 3.32Å; Y663-Y736 PolarHBondContact N-OH 3.41Å; Y663-V740 HydrophobicContact CD1-CG2 3.98Å; Y663-V740 HydrophobicContact CD2-CG2 4.14Å; Y663-V740 HydrophobicContact CG-CG2 3.56Å; Y663-A797 CarbonylContact O-C 3.55Å; Y663-A797 WeakPolarHBondContact O-CB 3.45Å; Y663-L798 VanDerWaalsContact O-CA 3.23Å; Y663-L798 WeakPolarHBondContact O-CA 3.36Å; Y663-L798 WeakPolarHBondContact O-CB 3.46Å; Y663-L798 PolarHBondContact O-N 3.45Å
664S92.6Very high90.9Very high32 Ų3251.8 Ų51.822%0.22427%0.266CS..  trans-100.3157.7167.559.10000111.3Y515 L662 P666 A797Y515-S664 PolarHBondContact OH-N 2.93Å; Y515-S664 PolarHBondContact OH-OG 2.77Å; L662-S664 PolarHBondContact O-N 3.42Å; S664-P666 VanDerWaalsContact O-CD 3.22Å; S664-P666 WeakPolarHBondContact O-CD 3.41Å; S664-A797 WeakPolarHBondContact CA-O 3.33Å
665D92.9Very high91.5Very high7 Ų746.1 Ų46.14%0.03724%0.236CC..  trans-65.1115.3168.2177.35.7000109.7C667 R668 G683 L687 L798D665-C667 PolarHBondContact O-N 2.73Å; D665-C667 PolarHBondContact OD1-N 2.78Å; D665-R668 HydrophobicContact CB-CG 3.97Å; D665-R668 PolarHBondContact O-N 2.61Å; D665-R668 WeakPolarHBondContact OD2-CG 3.45Å; D665-G683 PolarHBondContact OD1-N 3.19Å; D665-G683 VanDerWaalsContact OD2-CA 3.29Å; D665-G683 WeakPolarHBondContact OD2-CA 3.3Å; D665-L687 HydrophobicContact CB-CD1 4.2Å; D665-L798 HydrophobicContact CB-CD1 4.36Å
666P91.8Very high92.1Very high1 Ų142.6 Ų42.61%0.00622%0.223CC..G310 helixtrans-58.3-29.7-178.7-22.734.1000113P516 S664 R668 N669 H673 W676P516-P666 HydrophobicContact CG-CB 4.25Å; P516-P666 HydrophobicContact CG-CG 4.24Å; S664-P666 VanDerWaalsContact O-CD 3.22Å; S664-P666 WeakPolarHBondContact O-CD 3.41Å; P666-R668 PolarHBondContact O-N 2.93Å; P666-N669 PolarHBondContact O-N 3.33Å; P666-H673 PolarHBondContact O-N 3.25Å; P666-W676 HydrophobicContact CB-CB 4.19Å; P666-W676 HydrophobicContact CB-CD2 4Å; P666-W676 HydrophobicContact CB-CE3 4.08Å; P666-W676 HydrophobicContact CB-CG 4.09Å; P666-W676 HydrophobicContact CG-CD2 3.72Å; P666-W676 HydrophobicContact CG-CE3 3.55Å; P666-W676 HydrophobicContact CG-CG 4.33Å; P666-W676 HydrophobicContact CG-CH2 4.12Å; P666-W676 HydrophobicContact CG-CZ2 4.28Å; P666-W676 HydrophobicContact CG-CZ3 3.77Å
667C91.7Very high92.5Very high44 Ų4441.9 Ų41.930%0.29721%0.214SC..G310 helixtrans-76.7-20.3-175.4-84.40000114.3D665 N669 C682D665-C667 PolarHBondContact O-N 2.73Å; D665-C667 PolarHBondContact OD1-N 2.78Å; C667-N669 PolarHBondContact O-N 3.5Å; C667-C682 WeakPolarHBondContact CA-SG 3.37Å; C667-C682 HydrophobicContact CB-CB 4.27Å; C667-C682 WeakPolarHBondContact CB-SG 3.5Å; C667-C682 PolarHBondContact N-SG 3.14Å; C667-C682 VanDerWaalsContact SG-C 3.54Å; C667-C682 WeakPolarHBondContact SG-CB 3.38Å; C667-C682 CovalentContact SG-SG 2.01Å; C667-C682 PolarHBondContact SG-SG 3Å
668R88.8Confident92.5Very high143 Ų14347.9 Ų47.954%0.5426%0.256SS..G310 helixtrans-70.1-12.8176.4-67.4179.574.9-140.66.4112.2D665 P666 P800D665-R668 HydrophobicContact CB-CG 3.97Å; D665-R668 PolarHBondContact O-N 2.61Å; D665-R668 WeakPolarHBondContact OD2-CG 3.45Å; P666-R668 PolarHBondContact O-N 2.93Å; R668-P800 VanDerWaalsContact NH1-CD 3.32Å
669N87.7Confident92.4Very high27 Ų2751.5 Ų51.514%0.14428%0.275CS..SBendtrans-129118.2178-174.2-89.5000111.1Y541 P666 C667 H671 L672 H673Y541-N669 WeakPolarHBondContact CE1-ND2 3.48Å; Y541-N669 WeakPolarHBondContact CE2-OD1 3.49Å; Y541-N669 VanDerWaalsContact CZ-CG 3.49Å; Y541-N669 PolarHBondContact OH-ND2 2.81Å; Y541-N669 VanDerWaalsContact OH-ND2 3.07Å; P666-N669 PolarHBondContact O-N 3.33Å; C667-N669 PolarHBondContact O-N 3.5Å; N669-H671 PolarHBondContact O-N 2.84Å; N669-H671 VanDerWaalsContact O-N 3.14Å; N669-H671 WeakPolarHBondContact OD1-CA 3.3Å; N669-H671 VanDerWaalsContact OD1-CB 3.26Å; N669-H671 WeakPolarHBondContact OD1-CB 3.46Å; N669-H671 PolarHBondContact OD1-N 2.9Å; N669-L672 HydrophobicContact CB-CB 4.13Å; N669-L672 HydrophobicContact CB-CD1 4.09Å; N669-L672 HydrophobicContact CB-CG 4.03Å; N669-L672 PolarHBondContact O-N 2.78Å; N669-L672 PolarHBondContact OD1-N 2.84Å; N669-H673 WeakPolarHBondContact O-CB 3.41Å; N669-H673 PolarHBondContact O-N 3.4Å
670S90.1Very high92.3Very high103 Ų10349.7 Ų49.772%0.7227%0.265SS*.Hα-helixtrans-56.6-34.1-17854.10000113.6E674S670-E674 PolarHBondContact O-N 3.46Å; S670-E674 VanDerWaalsContact O-N 3.13Å
671H88.7Confident92.1Very high69 Ų6949.2 Ų49.232%0.31926%0.264SS..Hα-helixtrans-74.2-43179.9-178.985.5000112.3H538 Y541 N669 H673 E674H538-H671 AromaticContact CE1-CD2 3.88Å; H538-H671 AromaticContact CE1-CE1 3.73Å; H538-H671 AromaticContact CE1-NE2 2.88Å; H538-H671 PolarHBondContact CE1-NE2 2.8Å; H538-H671 AromaticContact ND1-CD2 3.67Å; H538-H671 AromaticContact ND1-NE2 3.12Å; H538-H671 PolarHBondContact ND1-NE2 2.81Å; H538-H671 VanDerWaalsContact ND1-NE2 3.12Å; H538-H671 AromaticContact NE2-NE2 3.59Å; Y541-H671 HydrophobicContact CE2-CB 4.19Å; N669-H671 PolarHBondContact O-N 2.84Å; N669-H671 VanDerWaalsContact O-N 3.14Å; N669-H671 WeakPolarHBondContact OD1-CA 3.3Å; N669-H671 VanDerWaalsContact OD1-CB 3.26Å; N669-H671 WeakPolarHBondContact OD1-CB 3.46Å; N669-H671 PolarHBondContact OD1-N 2.9Å; H671-H673 VanDerWaalsContact C-N 3.3Å; H671-H673 PolarHBondContact O-N 3.36Å; H671-E674 PolarHBondContact O-N 2.62Å
672L91.5Very high91.9Very high2 Ų250.2 Ų50.21%0.0127%0.27CS..Hα-helixtrans-66.7-33.9172.8-61.2-178.3000112Y515 P516 H538 Y541 N669 L675 W676Y515-L672 HydrophobicContact CD1-CD2 4.16Å; Y515-L672 HydrophobicContact CE1-CD1 4.12Å; Y515-L672 HydrophobicContact CE1-CD2 4.28Å; P516-L672 HydrophobicContact CG-CB 4.28Å; H538-L672 HydrophobicContact CB-CD2 4.11Å; Y541-L672 HydrophobicContact CD2-CD1 4.43Å; Y541-L672 HydrophobicContact CD2-CD2 4.04Å; Y541-L672 HydrophobicContact CD2-CG 4.05Å; Y541-L672 HydrophobicContact CG-CD1 4.31Å; Y541-L672 HydrophobicContact CG-CG 4.41Å; N669-L672 HydrophobicContact CB-CB 4.13Å; N669-L672 HydrophobicContact CB-CD1 4.09Å; N669-L672 HydrophobicContact CB-CG 4.03Å; N669-L672 PolarHBondContact O-N 2.78Å; N669-L672 PolarHBondContact OD1-N 2.84Å; L672-L675 CarbonylContact O-C 3.49Å; L672-L675 PolarHBondContact O-N 3.41Å; L672-L675 VanDerWaalsContact O-N 3.09Å; L672-W676 PolarHBondContact O-N 3.18Å
673H93.2Very high91.7Very high93 Ų9347.5 Ų47.543%0.43126%0.259SS..Hα-helixtrans-63.8-38175.8-173.3-157.3000112P666 N669 H671 L675 W676P666-H673 PolarHBondContact O-N 3.25Å; N669-H673 WeakPolarHBondContact O-CB 3.41Å; N669-H673 PolarHBondContact O-N 3.4Å; H671-H673 VanDerWaalsContact C-N 3.3Å; H671-H673 PolarHBondContact O-N 3.36Å; H673-L675 PolarHBondContact O-N 2.99Å; H673-W676 WeakPolarHBondContact O-CB 3.34Å; H673-W676 PolarHBondContact O-N 3.31Å; H673-W676 VanDerWaalsContact O-N 3.09Å
674E93.3Very high91.4Very high94 Ų9450.9 Ų50.944%0.43928%0.284SS..Hα-helixtrans-62.9-21.2173.5-161.5-165147.600112.7R474 H476 R510 S670 H671R474-E674 IonicContact NH1-OE1 3.45Å; H476-E674 PolarHBondContact NE2-O 3.29Å; H476-E674 VanDerWaalsContact NE2-O 3.1Å; R510-E674 IonicContact NH1-OE1 3.2Å; R510-E674 PolarHBondContact NH1-OE1 3Å; S670-E674 PolarHBondContact O-N 3.46Å; S670-E674 VanDerWaalsContact O-N 3.13Å; H671-E674 PolarHBondContact O-N 2.62Å
675L93.8Very high91.2Very high4 Ų453.1 Ų53.12%0.02129%0.293CS..THydrogen-bonded Turntrans-98.36.5178.8-56.8178000113H538 L672 H673H538-L675 WeakPolarHBondContact CD2-CD1 3.44Å; H538-L675 WeakPolarHBondContact NE2-CD1 3.48Å; L672-L675 CarbonylContact O-C 3.49Å; L672-L675 PolarHBondContact O-N 3.41Å; L672-L675 VanDerWaalsContact O-N 3.09Å; H673-L675 PolarHBondContact O-N 2.99Å
676W94.5Very high91.1Very high18 Ų1855.4 Ų55.47%0.06830%0.304CS..SBendtrans-99.3135.6179.1-167.8-111.3000110.6P516 P666 L672 H673 S678 W680 P681 V740 H741P516-W676 HydrophobicContact CB-CE3 3.74Å; P516-W676 HydrophobicContact CB-CZ3 3.79Å; P516-W676 HydrophobicContact CG-CE3 4.16Å; P666-W676 HydrophobicContact CB-CB 4.19Å; P666-W676 HydrophobicContact CB-CD2 4Å; P666-W676 HydrophobicContact CB-CE3 4.08Å; P666-W676 HydrophobicContact CB-CG 4.09Å; P666-W676 HydrophobicContact CG-CD2 3.72Å; P666-W676 HydrophobicContact CG-CE3 3.55Å; P666-W676 HydrophobicContact CG-CG 4.33Å; P666-W676 HydrophobicContact CG-CH2 4.12Å; P666-W676 HydrophobicContact CG-CZ2 4.28Å; P666-W676 HydrophobicContact CG-CZ3 3.77Å; L672-W676 PolarHBondContact O-N 3.18Å; H673-W676 WeakPolarHBondContact O-CB 3.34Å; H673-W676 PolarHBondContact O-N 3.31Å; H673-W676 VanDerWaalsContact O-N 3.09Å; W676-S678 PolarHBondContact O-N 2.82Å; W676-W680 HydrophobicContact CD2-CE3 4.15Å; W676-W680 AromaticContact CE2-CE3 3.81Å; W676-W680 HydrophobicContact CE3-CE3 4.13Å; W676-W680 HydrophobicContact CE3-CZ3 4.48Å; W676-W680 AromaticContact CH2-CE3 3.51Å; W676-W680 HydrophobicContact CH2-CE3 3.51Å; W676-W680 AromaticContact CH2-CZ3 3.85Å; W676-W680 HydrophobicContact CH2-CZ3 3.85Å; W676-W680 HydrophobicContact CZ2-CB 4.07Å; W676-W680 HydrophobicContact CZ2-CD2 4.39Å; W676-W680 AromaticContact CZ2-CE3 3.52Å; W676-W680 HydrophobicContact CZ2-CE3 3.52Å; W676-W680 HydrophobicContact CZ2-CZ3 4.33Å; W676-W680 AromaticContact CZ3-CE3 3.81Å; W676-W680 HydrophobicContact CZ3-CE3 3.81Å; W676-W680 AromaticContact CZ3-CZ3 3.93Å; W676-W680 HydrophobicContact CZ3-CZ3 3.93Å; W676-W680 VanDerWaalsContact NE1-CB 3.35Å; W676-W680 PolarHBondContact NE1-O 2.93Å; W676-P681 PolarHBondContact NE1-O 3.44Å; W676-V740 HydrophobicContact CH2-CB 4.2Å; W676-H741 HydrophobicContact CH2-CB 3.96Å; W676-H741 HydrophobicContact CZ2-CB 4.08Å
677P95Very high91.2Very high7 Ų755.6 Ų55.65%0.04531%0.305CS..  trans-56.5132.4174.8-24.234.2000111.6H476 Y518 D679 W680H476-P677 HydrophobicContact CB-CG 4.1Å; Y518-P677 HydrophobicContact CD2-CG 4.18Å; Y518-P677 HydrophobicContact CE2-CG 4.08Å; P677-D679 WeakPolarHBondContact CB-OD1 3.26Å; P677-D679 PolarHBondContact O-N 2.85Å; P677-W680 HydrophobicContact CB-CB 4.23Å; P677-W680 HydrophobicContact CB-CD2 3.86Å; P677-W680 HydrophobicContact CB-CE3 4.43Å; P677-W680 HydrophobicContact CB-CG 3.71Å; P677-W680 HydrophobicContact CG-CD2 3.59Å; P677-W680 HydrophobicContact CG-CE3 3.74Å; P677-W680 HydrophobicContact CG-CG 4.01Å; P677-W680 HydrophobicContact CG-CH2 4.4Å; P677-W680 HydrophobicContact CG-CZ2 4.22Å; P677-W680 HydrophobicContact CG-CZ3 4.17Å; P677-W680 WeakPolarHBondContact O-CB 3.32Å; P677-W680 PolarHBondContact O-N 2.65Å; P677-W680 VanDerWaalsContact O-N 3.09Å
678S90.1Very high91.4Very high126 Ų12653.8 Ų53.888%0.88129%0.292SS*.THydrogen-bonded Turntrans-67.2-23.2-173.852.20000114.1W676W676-S678 PolarHBondContact O-N 2.82Å
679D89.9Confident91.7Very high128 Ų12849.9 Ų49.968%0.68429%0.287SS*.THydrogen-bonded Turntrans-84.9-9.9176.960.9-54.1000113P677P677-D679 WeakPolarHBondContact CB-OD1 3.26Å; P677-D679 PolarHBondContact O-N 2.85Å
680W92.8Very high92.2Very high41 Ų4148.6 Ų48.616%0.15528%0.28CS..SBendtrans-85.8139.9178.9-72.114.4000111.2Y518 W676 P677 H741Y518-W680 AromaticContact CD2-CH2 3.61Å; Y518-W680 HydrophobicContact CD2-CH2 3.61Å; Y518-W680 AromaticContact CD2-CZ2 3.93Å; Y518-W680 HydrophobicContact CD2-CZ2 3.93Å; Y518-W680 HydrophobicContact CD2-CZ3 4.31Å; Y518-W680 AromaticContact CE2-CH2 3.87Å; Y518-W680 HydrophobicContact CE2-CH2 3.87Å; Y518-W680 AromaticContact CE2-CZ2 3.66Å; Y518-W680 HydrophobicContact CE2-CZ2 3.66Å; W676-W680 HydrophobicContact CD2-CE3 4.15Å; W676-W680 AromaticContact CE2-CE3 3.81Å; W676-W680 HydrophobicContact CE3-CE3 4.13Å; W676-W680 HydrophobicContact CE3-CZ3 4.48Å; W676-W680 AromaticContact CH2-CE3 3.51Å; W676-W680 HydrophobicContact CH2-CE3 3.51Å; W676-W680 AromaticContact CH2-CZ3 3.85Å; W676-W680 HydrophobicContact CH2-CZ3 3.85Å; W676-W680 HydrophobicContact CZ2-CB 4.07Å; W676-W680 HydrophobicContact CZ2-CD2 4.39Å; W676-W680 AromaticContact CZ2-CE3 3.52Å; W676-W680 HydrophobicContact CZ2-CE3 3.52Å; W676-W680 HydrophobicContact CZ2-CZ3 4.33Å; W676-W680 AromaticContact CZ3-CE3 3.81Å; W676-W680 HydrophobicContact CZ3-CE3 3.81Å; W676-W680 AromaticContact CZ3-CZ3 3.93Å; W676-W680 HydrophobicContact CZ3-CZ3 3.93Å; W676-W680 VanDerWaalsContact NE1-CB 3.35Å; W676-W680 PolarHBondContact NE1-O 2.93Å; P677-W680 HydrophobicContact CB-CB 4.23Å; P677-W680 HydrophobicContact CB-CD2 3.86Å; P677-W680 HydrophobicContact CB-CE3 4.43Å; P677-W680 HydrophobicContact CB-CG 3.71Å; P677-W680 HydrophobicContact CG-CD2 3.59Å; P677-W680 HydrophobicContact CG-CE3 3.74Å; P677-W680 HydrophobicContact CG-CG 4.01Å; P677-W680 HydrophobicContact CG-CH2 4.4Å; P677-W680 HydrophobicContact CG-CZ2 4.22Å; P677-W680 HydrophobicContact CG-CZ3 4.17Å; P677-W680 WeakPolarHBondContact O-CB 3.32Å; P677-W680 PolarHBondContact O-N 2.65Å; P677-W680 VanDerWaalsContact O-N 3.09Å; W680-H741 AromaticContact CD1-CE1 3.71Å; W680-H741 AromaticContact CD1-NE2 3.72Å; W680-H741 HydrophobicContact CD2-CB 3.92Å; W680-H741 AromaticContact CD2-CD2 3.84Å; W680-H741 AromaticContact CD2-CE1 3.79Å; W680-H741 AromaticContact CD2-CG 3.48Å; W680-H741 VanDerWaalsContact CD2-CG 3.48Å; W680-H741 AromaticContact CD2-ND1 3.47Å; W680-H741 AromaticContact CE2-CE1 3.45Å; W680-H741 VanDerWaalsContact CE2-CE1 3.45Å; W680-H741 AromaticContact CE2-CG 3.81Å; W680-H741 AromaticContact CE2-ND1 3.25Å; W680-H741 HydrophobicContact CE3-CB 3.48Å; W680-H741 VanDerWaalsContact CE3-CB 3.48Å; W680-H741 AromaticContact CE3-CG 3.61Å; W680-H741 AromaticContact CE3-ND1 3.86Å; W680-H741 AromaticContact CG-CD2 3.75Å; W680-H741 AromaticContact CG-CE1 3.93Å; W680-H741 AromaticContact CG-CG 3.91Å; W680-H741 AromaticContact CG-NE2 3.77Å; W680-H741 HydrophobicContact CH2-CB 4.2Å; W680-H741 AromaticContact CH2-ND1 3.77Å; W680-H741 AromaticContact CZ2-CE1 3.94Å; W680-H741 AromaticContact CZ2-ND1 3.41Å; W680-H741 WeakPolarHBondContact CZ2-ND1 3.45Å; W680-H741 HydrophobicContact CZ3-CB 3.62Å; W680-H741 AromaticContact CZ3-CG 3.98Å; W680-H741 AromaticContact CZ3-ND1 3.99Å; W680-H741 AromaticContact NE1-CE1 3.44Å; W680-H741 PolarHBondContact NE1-CE1 3.12Å; W680-H741 AromaticContact NE1-ND1 3.76Å; W680-H741 AromaticContact NE1-NE2 3.94Å
681P92.1Very high92.5Very high18 Ų1843.7 Ų43.712%0.11725%0.246CC..  trans-58.6150.4172.627-36.7000111.2W676 H686 M744W676-P681 PolarHBondContact NE1-O 3.44Å; P681-H686 HydrophobicContact CB-CB 4.05Å; P681-H686 WeakPolarHBondContact CB-ND1 3.23Å; P681-M744 HydrophobicContact CB-CB 4.2Å; P681-M744 HydrophobicContact CB-SD 4.23Å; P681-M744 HydrophobicContact CG-CB 3.72Å; P681-M744 HydrophobicContact CG-SD 4.18Å
682C90.5Very high93Very high21 Ų2140.4 Ų40.414%0.14223%0.231CC..  trans-160.4151.5-176.8-172.30000111.4C667 H686C667-C682 WeakPolarHBondContact CA-SG 3.37Å; C667-C682 HydrophobicContact CB-CB 4.27Å; C667-C682 WeakPolarHBondContact CB-SG 3.5Å; C667-C682 PolarHBondContact N-SG 3.14Å; C667-C682 VanDerWaalsContact SG-C 3.54Å; C667-C682 WeakPolarHBondContact SG-CB 3.38Å; C667-C682 CovalentContact SG-SG 2.01Å; C667-C682 PolarHBondContact SG-SG 3Å; C682-H686 PolarHBondContact O-CD2 2.87Å; C682-H686 VanDerWaalsContact O-CD2 3.23Å
683G90.6Very high93.3Very high13 Ų1340.3 Ų40.313%0.13423%0.23CC..SBendtrans92.1167.5179.200000114.6D665 N685 H686D665-G683 PolarHBondContact OD1-N 3.19Å; D665-G683 VanDerWaalsContact OD2-CA 3.29Å; D665-G683 WeakPolarHBondContact OD2-CA 3.3Å; G683-N685 PolarHBondContact O-N 3.34Å; G683-N685 VanDerWaalsContact O-N 3.09Å; G683-H686 PolarHBondContact O-N 2.67Å
684S88.5Confident93.3Very high78 Ų7835.9 Ų35.955%0.54521%0.21SC..G310 helixtrans-55.2-29.4-177.350.80000113.9H686 L687S684-H686 PolarHBondContact O-N 3.31Å; S684-L687 PolarHBondContact O-N 3.43Å; S684-L687 VanDerWaalsContact O-N 3.1Å; S684-L687 VanDerWaalsContact O-O 3.08Å
685N87.4Confident93.4Very high79 Ų7931.4 Ų31.442%0.42219%0.189SC..G310 helixtrans-70.1-20.5-177.2-61.817.4000111.4G683 E775 R778G683-N685 PolarHBondContact O-N 3.34Å; G683-N685 VanDerWaalsContact O-N 3.09Å; N685-E775 WeakPolarHBondContact CB-OE1 3.19Å; N685-E775 PolarHBondContact ND2-OE1 2.93Å; N685-R778 WeakPolarHBondContact O-CD 3.46Å; N685-R778 PolarHBondContact O-NE 2.84Å; N685-R778 PolarHBondContact O-NH1 2.98Å
686H90.9Very high93.4Very high54 Ų5432.7 Ų32.725%0.2520%0.195CC..G310 helixtrans-96.54.9174.7-67-87.8000113.6P681 C682 G683 S684 M744P681-H686 HydrophobicContact CB-CB 4.05Å; P681-H686 WeakPolarHBondContact CB-ND1 3.23Å; C682-H686 PolarHBondContact O-CD2 2.87Å; C682-H686 VanDerWaalsContact O-CD2 3.23Å; G683-H686 PolarHBondContact O-N 2.67Å; S684-H686 PolarHBondContact O-N 3.31Å; H686-M744 HydrophobicContact CB-CB 4.3Å; H686-M744 HydrophobicContact CB-CG 4.11Å; H686-M744 HydrophobicContact CB-SD 4.29Å
687L94.5Very high93.3Very high6 Ų634.5 Ų34.53%0.03120%0.203CC..SBendtrans-119.3154.7-176.7-69.7169.7000110.8D665 S684 S689 Y743 M744 L798 M799D665-L687 HydrophobicContact CB-CD1 4.2Å; S684-L687 PolarHBondContact O-N 3.43Å; S684-L687 VanDerWaalsContact O-N 3.1Å; S684-L687 VanDerWaalsContact O-O 3.08Å; L687-S689 PolarHBondContact O-N 2.77Å; L687-Y743 HydrophobicContact CD2-CD1 3.85Å; L687-Y743 HydrophobicContact CD2-CE1 3.79Å; L687-M744 HydrophobicContact CD1-CE 3.93Å; L687-M744 HydrophobicContact CD2-CE 3.95Å; L687-M744 HydrophobicContact CD2-CG 3.93Å; L687-M744 HydrophobicContact CG-CE 3.85Å; L687-M744 HydrophobicContact CG-CG 4.44Å; L687-L798 HydrophobicContact CD1-CD1 4.25Å; L687-L798 HydrophobicContact CD1-CG 4.28Å; L687-L798 HydrophobicContact CD2-CD1 4.48Å; L687-L798 HydrophobicContact CD2-CD2 3.96Å; L687-L798 HydrophobicContact CD2-CG 4.18Å; L687-M799 HydrophobicContact CB-CG 4.19Å; L687-M799 HydrophobicContact CB-SD 3.84Å; L687-M799 HydrophobicContact CD1-CG 3.99Å; L687-M799 HydrophobicContact CD2-SD 4.22Å; L687-M799 HydrophobicContact CG-CG 4.47Å; L687-M799 HydrophobicContact CG-SD 4.44Å
688P95.3Very high93.3Very high5 Ų534.3 Ų34.33%0.03220%0.201CC..  trans-58134.8169.9-34.543000113.9I691 Y743 F747 R778 E780 M799P688-I691 HydrophobicContact CB-CG1 4.17Å; P688-Y743 WeakPolarHBondContact CG-OH 3.42Å; P688-F747 HydrophobicContact CG-CE1 3.67Å; P688-F747 HydrophobicContact CG-CE2 3.96Å; P688-F747 HydrophobicContact CG-CZ 3.27Å; P688-R778 CarbonylContact C-O 3.59Å; P688-R778 WeakPolarHBondContact CA-O 3.45Å; P688-E780 HydrophobicContact CG-CB 4.5Å; P688-E780 HydrophobicContact CG-CG 4.22Å; P688-M799 HydrophobicContact CB-SD 4.23Å; P688-M799 HydrophobicContact CG-SD 4.49Å
689S95.2Very high93.3Very high61 Ų6129.7 Ų29.743%0.42717%0.174SC..SBendtrans-82.2-22.2168.6-48.50000112L687 R778 K803L687-S689 PolarHBondContact O-N 2.77Å; S689-R778 PolarHBondContact N-O 3.35Å; S689-K803 PolarHBondContact O-N 2.92Å; S689-K803 VanDerWaalsContact O-N 3.08Å
690F97.7Very high93.5Very high1 Ų123.8 Ų23.80%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-148.4159.1172.370.9-87.4000112.9L707 L713 I777 F779 E780 K803 I805 I931F690-L707 HydrophobicContact CE2-CD1 3.87Å; F690-L707 HydrophobicContact CZ-CD1 4.09Å; F690-L713 HydrophobicContact CE1-CD2 3.85Å; F690-L713 HydrophobicContact CZ-CD2 4.15Å; F690-I777 HydrophobicContact CD1-CG2 4.19Å; F690-I777 HydrophobicContact CE1-CG2 3.99Å; F690-F779 HydrophobicContact CD1-CB 3.78Å; F690-F779 HydrophobicContact CD2-CB 3.76Å; F690-F779 HydrophobicContact CD2-CD2 4.41Å; F690-F779 HydrophobicContact CD2-CG 4.34Å; F690-F779 HydrophobicContact CE1-CB 3.45Å; F690-F779 VanDerWaalsContact CE1-CB 3.45Å; F690-F779 HydrophobicContact CE1-CD1 4.2Å; F690-F779 AromaticContact CE1-CG 3.93Å; F690-F779 HydrophobicContact CE1-CG 3.93Å; F690-F779 HydrophobicContact CE2-CB 3.41Å; F690-F779 VanDerWaalsContact CE2-CB 3.41Å; F690-F779 HydrophobicContact CE2-CD1 4.34Å; F690-F779 AromaticContact CE2-CD2 3.55Å; F690-F779 HydrophobicContact CE2-CD2 3.55Å; F690-F779 HydrophobicContact CE2-CE2 4.37Å; F690-F779 AromaticContact CE2-CG 3.53Å; F690-F779 HydrophobicContact CE2-CG 3.53Å; F690-F779 HydrophobicContact CG-CB 3.93Å; F690-F779 HydrophobicContact CZ-CB 3.25Å; F690-F779 AromaticContact CZ-CD1 3.67Å; F690-F779 HydrophobicContact CZ-CD1 3.67Å; F690-F779 AromaticContact CZ-CD2 3.75Å; F690-F779 HydrophobicContact CZ-CD2 3.75Å; F690-F779 HydrophobicContact CZ-CE1 4.42Å; F690-F779 HydrophobicContact CZ-CE2 4.48Å; F690-F779 AromaticContact CZ-CG 3.28Å; F690-F779 HydrophobicContact CZ-CG 3.28Å; F690-F779 WeakPolarHBondContact O-CA 3.36Å; F690-F779 VanDerWaalsContact O-CB 3.31Å; F690-F779 WeakPolarHBondContact O-CB 3.48Å; F690-E780 PolarHBondContact O-N 3.08Å; F690-K803 CarbonylContact C-O 3.42Å; F690-K803 WeakPolarHBondContact CA-O 3.47Å; F690-K803 HydrophobicContact CB-CB 3.81Å; F690-K803 VanDerWaalsContact CB-O 3.32Å; F690-K803 WeakPolarHBondContact CB-O 3.14Å; F690-I805 HydrophobicContact CD2-CD1 3.84Å; F690-I805 HydrophobicContact CE2-CD1 4.14Å; F690-I931 HydrophobicContact CB-CG2 4.35Å; F690-I931 HydrophobicContact CD1-CB 4.01Å; F690-I931 HydrophobicContact CD1-CG2 3.74Å; F690-I931 HydrophobicContact CD2-CG2 4Å; F690-I931 HydrophobicContact CE1-CB 4.09Å; F690-I931 HydrophobicContact CE1-CD1 3.9Å; F690-I931 HydrophobicContact CE1-CG2 3.93Å; F690-I931 HydrophobicContact CE2-CG2 4.19Å; F690-I931 HydrophobicContact CG-CG2 3.77Å; F690-I931 HydrophobicContact CZ-CD1 3.98Å; F690-I931 HydrophobicContact CZ-CG2 4.14Å
691I98.3Very high93.4Very high0 Ų022.5 Ų22.50%014%0.14CC..EExtended strand (participates in β ladder)trans-134.5134.6-179.7-59.2175.9000110.4P688 I693 F730 E780 Y785 I795 M799 V802 K803 L804 I805P688-I691 HydrophobicContact CB-CG1 4.17Å; I691-I693 HydrophobicContact CB-CG2 4.19Å; I691-I693 HydrophobicContact CG2-CG2 3.58Å; I691-F730 HydrophobicContact CD1-CE2 4.18Å; I691-E780 WeakPolarHBondContact CA-O 3.47Å; I691-E780 HydrophobicContact CB-CG 4.45Å; I691-E780 HydrophobicContact CD1-CG 4.24Å; I691-E780 HydrophobicContact CG1-CG 3.87Å; I691-E780 HydrophobicContact CG2-CG 4.01Å; I691-Y785 HydrophobicContact CG2-CD2 4.03Å; I691-Y785 HydrophobicContact CG2-CE2 4.12Å; I691-I795 HydrophobicContact CD1-CD1 4.09Å; I691-I795 HydrophobicContact CD1-CG1 4.46Å; I691-I795 HydrophobicContact CD1-CG2 4.09Å; I691-M799 HydrophobicContact CD1-CE 3.66Å; I691-V802 HydrophobicContact CD1-CG2 4.17Å; I691-V802 HydrophobicContact CG1-CG2 3.96Å; I691-K803 PolarHBondContact N-O 3.46Å; I691-L804 HydrophobicContact CB-CD2 4.27Å; I691-L804 WeakPolarHBondContact O-CA 3.43Å; I691-I805 PolarHBondContact O-N 2.95Å
692I98.3Very high93.3Very high0 Ų022.3 Ų22.30%014%0.14CC..EExtended strand (participates in β ladder)trans-90.4106.2167.7-55.9163.5000108.3L703 L704 L707 F779 E780 K781 S782 I805 L807I692-L703 HydrophobicContact CD1-CB 4.43Å; I692-L703 HydrophobicContact CD1-CD2 3.81Å; I692-L703 HydrophobicContact CD1-CG 3.89Å; I692-L703 HydrophobicContact CG1-CD2 4.14Å; I692-L703 HydrophobicContact CG2-CD2 4.39Å; I692-L704 HydrophobicContact CD1-CB 4.35Å; I692-L707 HydrophobicContact CD1-CD1 3.88Å; I692-F779 HydrophobicContact CD1-CD2 4.47Å; I692-F779 HydrophobicContact CD1-CE2 4.28Å; I692-E780 PolarHBondContact N-O 3.39Å; I692-K781 HydrophobicContact CB-CB 3.89Å; I692-K781 HydrophobicContact CB-CG 3.7Å; I692-K781 HydrophobicContact CD1-CB 4.28Å; I692-K781 HydrophobicContact CD1-CG 4.38Å; I692-K781 HydrophobicContact CG2-CG 3.83Å; I692-K781 WeakPolarHBondContact O-CA 3.44Å; I692-S782 PolarHBondContact O-N 3.28Å; I692-S782 VanDerWaalsContact O-N 3.1Å; I692-I805 HydrophobicContact CG1-CB 4.19Å; I692-I805 HydrophobicContact CG1-CD1 4.39Å; I692-L807 HydrophobicContact CG2-CD1 3.91Å
693I97.6Very high93.5Very high0 Ų021.3 Ų21.30%013%0.133CC..EExtended strand (participates in β ladder)trans-92.2-8.3-16857.5168.4000114.4I691 S782 A783 Y785 F786 L804 I805 V806 W899I691-I693 HydrophobicContact CB-CG2 4.19Å; I691-I693 HydrophobicContact CG2-CG2 3.58Å; I693-S782 CarbonylContact C-O 3.26Å; I693-S782 VanDerWaalsContact O-O 3.08Å; I693-A783 CarbonylContact O-C 3.57Å; I693-A783 WeakPolarHBondContact O-CA 2.98Å; I693-Y785 HydrophobicContact CG2-CD2 4.24Å; I693-F786 HydrophobicContact CD1-CD2 4.37Å; I693-F786 VanDerWaalsContact O-CB 3.27Å; I693-F786 WeakPolarHBondContact O-CB 3.38Å; I693-F786 PolarHBondContact O-N 3Å; I693-L804 HydrophobicContact CD1-CB 4.37Å; I693-L804 HydrophobicContact CG2-CD2 3.91Å; I693-I805 PolarHBondContact N-O 3.24Å; I693-V806 HydrophobicContact CD1-CG2 3.64Å; I693-V806 HydrophobicContact CG1-CG2 3.7Å; I693-W899 HydrophobicContact CB-CH2 4.35Å; I693-W899 HydrophobicContact CB-CZ2 4.17Å; I693-W899 HydrophobicContact CD1-CD2 3.76Å; I693-W899 VanDerWaalsContact CD1-CE2 3.43Å; I693-W899 HydrophobicContact CD1-CE3 4.16Å; I693-W899 HydrophobicContact CD1-CG 4.3Å; I693-W899 HydrophobicContact CD1-CH2 3.96Å; I693-W899 HydrophobicContact CD1-CZ2 3.56Å; I693-W899 HydrophobicContact CD1-CZ3 4.25Å; I693-W899 HydrophobicContact CG1-CZ2 4.46Å; I693-W899 HydrophobicContact CG2-CH2 3.87Å; I693-W899 HydrophobicContact CG2-CZ2 4.2Å; I693-W899 HydrophobicContact CG2-CZ3 4.49Å
694G92.6Very high93.6Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans114.6-143.3178.500000113.3V806 L807G694-V806 WeakPolarHBondContact O-CA 3.5Å; G694-V806 WeakPolarHBondContact O-CG1 3.48Å; G694-L807 PolarHBondContact O-N 3.35Å
695P95.4Very high93.5Very high0 Ų017.3 Ų17.30%010%0.102CC..  cis-64.2177.4-7.320.7-29.6000114.1T698 F786 L807 L808 Y892P695-T698 HydrophobicContact CG-CG2 3.93Å; P695-T698 PolarHBondContact O-OG1 2.68Å; P695-F786 HydrophobicContact CB-CB 4.19Å; P695-F786 HydrophobicContact CB-CD1 3.54Å; P695-F786 HydrophobicContact CB-CE1 4.07Å; P695-F786 HydrophobicContact CB-CG 3.92Å; P695-F786 HydrophobicContact CG-CD1 3.91Å; P695-F786 HydrophobicContact CG-CE1 3.98Å; P695-F786 HydrophobicContact CG-CG 4.25Å; P695-F786 HydrophobicContact CG-CZ 4.42Å; P695-L807 WeakPolarHBondContact CD-O 3.39Å; P695-L808 HydrophobicContact CG-CD2 4.38Å; P695-Y892 HydrophobicContact CG-CD1 4.37Å; P695-Y892 HydrophobicContact CG-CE1 3.75Å
696Q94Very high93.7Very high31 Ų3114 Ų1415%0.1458%0.084CC..THydrogen-bonded Turntrans-62.1150.3170.9-66.3174.2-39.600111.2A783 R814 W818Q696-A783 HydrophobicContact CB-CB 4.37Å; Q696-A783 HydrophobicContact CG-CB 3.63Å; Q696-R814 PolarHBondContact O-NE 3.46Å; Q696-W818 HydrophobicContact CB-CE3 4.39Å; Q696-W818 HydrophobicContact CB-CZ3 4.17Å; Q696-W818 HydrophobicContact CG-CZ3 4.41Å
697K93.3Very high93.8Very high55 Ų5511.4 Ų11.424%0.2397%0.072CC..THydrogen-bonded Turntrans71.619.9175-50-56.8-52.4-169.50116.7R814 S817 W818 H821K697-R814 HydrophobicContact CB-CG 4.04Å; K697-S817 WeakPolarHBondContact CE-O 3.35Å; K697-S817 WeakPolarHBondContact CE-OG 3.25Å; K697-S817 PolarHBondContact NZ-O 3.05Å; K697-W818 HydrophobicContact CD-CE3 4.13Å; K697-W818 HydrophobicContact CG-CB 4.14Å; K697-W818 HydrophobicContact CG-CE3 3.88Å; K697-H821 HydrophobicContact CD-CB 4.35Å
698T93.7Very high93.5Very high3 Ų312.6 Ų12.62%0.0188%0.078CC..SBendtrans-113.38.1-179.761.10000114.8P695 L807 R809 R814 A913P695-T698 HydrophobicContact CG-CG2 3.93Å; P695-T698 PolarHBondContact O-OG1 2.68Å; T698-L807 WeakPolarHBondContact CB-O 3.48Å; T698-L807 WeakPolarHBondContact CG2-O 3.34Å; T698-L807 PolarHBondContact OG1-O 2.76Å; T698-R809 HydrophobicContact CG2-CB 3.92Å; T698-R814 HydrophobicContact CG2-CG 4.45Å; T698-A913 VanDerWaalsContact O-CB 3.28Å; T698-A913 WeakPolarHBondContact O-CB 3.46Å
699G91.7Very high93.2Very high30 Ų3013.5 Ų13.531%0.3098%0.083SC..SBendtrans93.89.5176.400000115.3T701 A702 L703G699-T701 VanDerWaalsContact C-N 3.25Å; G699-T701 PolarHBondContact O-N 2.9Å; G699-A702 WeakPolarHBondContact O-CB 3.45Å; G699-A702 PolarHBondContact O-N 3.43Å; G699-L703 PolarHBondContact O-N 2.93Å; G699-L703 VanDerWaalsContact O-N 3.14Å
700S93.2Very high92.8Very high4 Ų410.6 Ų10.63%0.0286%0.062CC..Hα-helixtrans-54.7-32.9179.349.80000114.9L703 L704 K781S700-L703 PolarHBondContact O-N 3.33Å; S700-L704 PolarHBondContact O-N 2.93Å; S700-L704 VanDerWaalsContact O-N 3.1Å; S700-K781 WeakPolarHBondContact OG-CE 3.31Å; S700-K781 PolarHBondContact OG-NZ 3.27Å
701T90.2Very high92.1Very high14 Ų1412.5 Ų12.59%0.0868%0.075CC..Hα-helixtrans-63-46.6172.3-51.60000111.1G699 L703 L704 H705 E725 L967 K971G699-T701 VanDerWaalsContact C-N 3.25Å; G699-T701 PolarHBondContact O-N 2.9Å; T701-L703 VanDerWaalsContact C-N 3.3Å; T701-L703 PolarHBondContact O-N 3.11Å; T701-L704 PolarHBondContact O-N 3.42Å; T701-H705 PolarHBondContact O-CD2 3.02Å; T701-H705 PolarHBondContact O-N 2.95Å; T701-H705 VanDerWaalsContact O-N 3.07Å; T701-E725 WeakPolarHBondContact CB-OE1 3.43Å; T701-E725 WeakPolarHBondContact CG2-OE1 3.46Å; T701-E725 PolarHBondContact OG1-OE1 2.89Å; T701-L967 HydrophobicContact CG2-CD1 4.48Å; T701-L967 HydrophobicContact CG2-CD2 4.4Å; T701-K971 HydrophobicContact CG2-CD 4.2Å; T701-K971 PolarHBondContact OG1-NZ 3.08Å
702A90.9Very high91.6Very high14 Ų1414.4 Ų14.412%0.1168%0.083CC..Hα-helixtrans-61.8-40.2178.400000111.6G699 L704 H705 F706 F916 L967G699-A702 WeakPolarHBondContact O-CB 3.45Å; G699-A702 PolarHBondContact O-N 3.43Å; A702-L704 PolarHBondContact O-N 3.14Å; A702-H705 PolarHBondContact O-N 3.1Å; A702-F706 HydrophobicContact CB-CE2 4.35Å; A702-F706 HydrophobicContact CB-CZ 4.21Å; A702-F706 WeakPolarHBondContact O-CD1 3.44Å; A702-F706 WeakPolarHBondContact O-CG 3.49Å; A702-F706 PolarHBondContact O-N 3.02Å; A702-F916 HydrophobicContact CB-CE1 3.98Å; A702-F916 HydrophobicContact CB-CZ 4.28Å; A702-L967 HydrophobicContact CB-CD1 3.9Å
703L94.3Very high91.2Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-58.6-48.2174.6179.161.3000112I692 G699 S700 T701 H705 F706 L707 I805 L807 L911 F916 M924 V927I692-L703 HydrophobicContact CD1-CB 4.43Å; I692-L703 HydrophobicContact CD1-CD2 3.81Å; I692-L703 HydrophobicContact CD1-CG 3.89Å; I692-L703 HydrophobicContact CG1-CD2 4.14Å; I692-L703 HydrophobicContact CG2-CD2 4.39Å; G699-L703 PolarHBondContact O-N 2.93Å; G699-L703 VanDerWaalsContact O-N 3.14Å; S700-L703 PolarHBondContact O-N 3.33Å; T701-L703 VanDerWaalsContact C-N 3.3Å; T701-L703 PolarHBondContact O-N 3.11Å; L703-H705 VanDerWaalsContact C-N 3.3Å; L703-H705 PolarHBondContact O-N 2.86Å; L703-F706 PolarHBondContact O-N 3.47Å; L703-L707 HydrophobicContact CD1-CD1 4.27Å; L703-L707 HydrophobicContact CD1-CG 4.25Å; L703-L707 HydrophobicContact CG-CD1 4.08Å; L703-L707 WeakPolarHBondContact O-CG 3.2Å; L703-L707 PolarHBondContact O-N 3.2Å; L703-I805 HydrophobicContact CD2-CG2 3.87Å; L703-L807 HydrophobicContact CB-CD2 4.39Å; L703-L807 HydrophobicContact CD2-CD1 3.78Å; L703-L807 HydrophobicContact CD2-CD2 4.26Å; L703-L807 HydrophobicContact CD2-CG 4.36Å; L703-L911 HydrophobicContact CD2-CD1 4.12Å; L703-F916 HydrophobicContact CB-CE1 4.29Å; L703-F916 HydrophobicContact CB-CZ 3.9Å; L703-F916 HydrophobicContact CD1-CE2 4.15Å; L703-F916 HydrophobicContact CD1-CZ 4.3Å; L703-M924 HydrophobicContact CD1-CE 4.21Å; L703-M924 HydrophobicContact CD1-SD 3.53Å; L703-M924 VanDerWaalsContact CD1-SD 3.53Å; L703-V927 HydrophobicContact CD1-CG2 4.16Å
704L92.5Very high90.8Very high0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-54.9-46.8175.5171.6148.8000111.4I692 S700 T701 A702 F706 L707 L708 F718 E725 F779 K781I692-L704 HydrophobicContact CD1-CB 4.35Å; S700-L704 PolarHBondContact O-N 2.93Å; S700-L704 VanDerWaalsContact O-N 3.1Å; T701-L704 PolarHBondContact O-N 3.42Å; A702-L704 PolarHBondContact O-N 3.14Å; L704-F706 PolarHBondContact O-N 2.82Å; L704-L707 PolarHBondContact O-N 3.01Å; L704-L708 HydrophobicContact CD2-CD1 3.78Å; L704-L708 HydrophobicContact CG-CD1 4.43Å; L704-L708 WeakPolarHBondContact O-CG 3.49Å; L704-L708 PolarHBondContact O-N 3.41Å; L704-L708 VanDerWaalsContact O-N 3.14Å; L704-F718 HydrophobicContact CD2-CZ 3.94Å; L704-E725 HydrophobicContact CD1-CB 4.37Å; L704-E725 HydrophobicContact CD1-CG 4.31Å; L704-F779 HydrophobicContact CB-CE2 4.32Å; L704-F779 HydrophobicContact CD1-CE2 4.15Å; L704-F779 HydrophobicContact CG-CE2 3.95Å; L704-F779 HydrophobicContact CG-CZ 4.22Å; L704-K781 HydrophobicContact CB-CB 4.39Å; L704-K781 HydrophobicContact CD1-CB 3.55Å; L704-K781 HydrophobicContact CD1-CG 4.44Å
705H86.6Confident90.7Very high7 Ų716.4 Ų16.43%0.0329%0.094CC..Hα-helixtrans-67.1-36.2-178.9-77.4-75.3000113.2T701 A702 L703 W962 L967T701-H705 PolarHBondContact O-CD2 3.02Å; T701-H705 PolarHBondContact O-N 2.95Å; T701-H705 VanDerWaalsContact O-N 3.07Å; A702-H705 PolarHBondContact O-N 3.1Å; L703-H705 VanDerWaalsContact C-N 3.3Å; L703-H705 PolarHBondContact O-N 2.86Å; H705-W962 AromaticContact CE1-CH2 3.31Å; H705-W962 WeakPolarHBondContact CE1-CH2 3.47Å; H705-W962 AromaticContact CE1-CZ2 3.42Å; H705-W962 VanDerWaalsContact CE1-CZ2 3.42Å; H705-W962 WeakPolarHBondContact CE1-CZ2 3.26Å; H705-W962 AromaticContact NE2-CH2 3.36Å; H705-W962 WeakPolarHBondContact NE2-CH2 3.47Å; H705-W962 AromaticContact NE2-CZ2 3.92Å; H705-W962 AromaticContact NE2-CZ3 4Å; H705-L967 HydrophobicContact CB-CD2 4.19Å; H705-L967 WeakPolarHBondContact CD2-CD2 3.39Å
706F92.1Very high90.4Very high8 Ų816.6 Ų16.64%0.03510%0.095CC..Hα-helixtrans-67.1-44.4175.3-60-14.9000110.1A702 L703 L704 L708 L709 F916 P920 M924 Y939 L943 F952 V954A702-F706 HydrophobicContact CB-CE2 4.35Å; A702-F706 HydrophobicContact CB-CZ 4.21Å; A702-F706 WeakPolarHBondContact O-CD1 3.44Å; A702-F706 WeakPolarHBondContact O-CG 3.49Å; A702-F706 PolarHBondContact O-N 3.02Å; L703-F706 PolarHBondContact O-N 3.47Å; L704-F706 PolarHBondContact O-N 2.82Å; F706-L708 VanDerWaalsContact C-N 3.28Å; F706-L708 PolarHBondContact O-N 3.3Å; F706-L709 WeakPolarHBondContact O-CB 3.4Å; F706-L709 WeakPolarHBondContact O-CG 3.46Å; F706-L709 PolarHBondContact O-N 3.06Å; F706-F916 AromaticContact CD2-CE2 3.73Å; F706-F916 HydrophobicContact CD2-CE2 3.73Å; F706-F916 AromaticContact CD2-CZ 3.5Å; F706-F916 HydrophobicContact CD2-CZ 3.5Å; F706-F916 HydrophobicContact CE2-CE1 4.35Å; F706-F916 AromaticContact CE2-CE2 3.9Å; F706-F916 HydrophobicContact CE2-CE2 3.9Å; F706-F916 AromaticContact CE2-CZ 3.5Å; F706-F916 HydrophobicContact CE2-CZ 3.5Å; F706-F916 VanDerWaalsContact CE2-CZ 3.5Å; F706-P920 HydrophobicContact CD2-CB 4.15Å; F706-P920 HydrophobicContact CE2-CB 3.78Å; F706-P920 HydrophobicContact CE2-CG 4.09Å; F706-M924 HydrophobicContact CB-CE 3.69Å; F706-M924 HydrophobicContact CB-SD 3.82Å; F706-M924 HydrophobicContact CD2-SD 4.14Å; F706-Y939 HydrophobicContact CB-CE1 4.2Å; F706-Y939 WeakPolarHBondContact O-CE1 3.49Å; F706-Y939 PolarHBondContact O-OH 2.89Å; F706-L943 HydrophobicContact CD1-CD1 4.38Å; F706-L943 HydrophobicContact CD1-CD2 3.43Å; F706-L943 VanDerWaalsContact CD1-CD2 3.43Å; F706-L943 HydrophobicContact CD2-CD1 3.86Å; F706-L943 HydrophobicContact CD2-CD2 4.38Å; F706-L943 HydrophobicContact CE1-CD2 3.57Å; F706-L943 HydrophobicContact CE2-CD1 4.04Å; F706-L943 HydrophobicContact CG-CD1 4.06Å; F706-L943 HydrophobicContact CG-CD2 3.89Å; F706-L943 HydrophobicContact CZ-CD1 4.38Å; F706-L943 HydrophobicContact CZ-CD2 4.13Å; F706-F952 HydrophobicContact CZ-CB 3.91Å; F706-V954 HydrophobicContact CD1-CG2 4.39Å
707L92.8Very high89.8Confident0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-57.1-39.8177.6-73.3170000113.2F690 I692 L703 L704 L709 N710 L713 F779 M924 V927 I931F690-L707 HydrophobicContact CE2-CD1 3.87Å; F690-L707 HydrophobicContact CZ-CD1 4.09Å; I692-L707 HydrophobicContact CD1-CD1 3.88Å; L703-L707 HydrophobicContact CD1-CD1 4.27Å; L703-L707 HydrophobicContact CD1-CG 4.25Å; L703-L707 HydrophobicContact CG-CD1 4.08Å; L703-L707 WeakPolarHBondContact O-CG 3.2Å; L703-L707 PolarHBondContact O-N 3.2Å; L704-L707 PolarHBondContact O-N 3.01Å; L707-L709 PolarHBondContact O-N 3.2Å; L707-N710 WeakPolarHBondContact O-CB 3.2Å; L707-N710 PolarHBondContact O-N 2.95Å; L707-L713 HydrophobicContact CB-CD1 3.92Å; L707-L713 HydrophobicContact CD2-CD1 3.71Å; L707-L713 HydrophobicContact CG-CD1 4.39Å; L707-L713 WeakPolarHBondContact O-CD1 3.21Å; L707-F779 HydrophobicContact CB-CE1 4.38Å; L707-F779 HydrophobicContact CB-CE2 4.42Å; L707-F779 HydrophobicContact CB-CZ 3.87Å; L707-F779 HydrophobicContact CD1-CE2 4.07Å; L707-F779 HydrophobicContact CD1-CZ 4.31Å; L707-M924 HydrophobicContact CD2-CE 3.69Å; L707-M924 HydrophobicContact CG-CE 3.95Å; L707-V927 HydrophobicContact CD1-CG1 4.44Å; L707-V927 HydrophobicContact CD2-CG1 3.72Å; L707-I931 HydrophobicContact CD2-CD1 4.18Å
708L88.2Confident89Confident32 Ų3221.9 Ų21.917%0.16811%0.114CC..THydrogen-bonded Turntrans-65.7-6.2178-70.5174000114.5L704 F706 F718 F779 F960L704-L708 HydrophobicContact CD2-CD1 3.78Å; L704-L708 HydrophobicContact CG-CD1 4.43Å; L704-L708 WeakPolarHBondContact O-CG 3.49Å; L704-L708 PolarHBondContact O-N 3.41Å; L704-L708 VanDerWaalsContact O-N 3.14Å; F706-L708 VanDerWaalsContact C-N 3.28Å; F706-L708 PolarHBondContact O-N 3.3Å; L708-F718 HydrophobicContact CD1-CE2 4.45Å; L708-F718 HydrophobicContact CD1-CZ 4.34Å; L708-F779 HydrophobicContact CD2-CE1 3.89Å; L708-F779 HydrophobicContact CD2-CZ 4.01Å; L708-F779 HydrophobicContact CG-CE1 4.4Å; L708-F779 HydrophobicContact CG-CZ 4.06Å; L708-F960 HydrophobicContact CB-CE1 3.99Å; L708-F960 HydrophobicContact CB-CZ 3.46Å; L708-F960 VanDerWaalsContact CB-CZ 3.46Å; L708-F960 HydrophobicContact CD1-CE1 3.85Å; L708-F960 HydrophobicContact CD1-CZ 4.09Å; L708-F960 HydrophobicContact CG-CZ 4.44Å
709L88.3Confident87.6Confident24 Ų2427.5 Ų27.513%0.12614%0.141CC..THydrogen-bonded Turntrans-69.7-23.6167.5-63.4171.1000112.3F706 L707 L937 Y939 Y942 L943 V954 A959 F960F706-L709 WeakPolarHBondContact O-CB 3.4Å; F706-L709 WeakPolarHBondContact O-CG 3.46Å; F706-L709 PolarHBondContact O-N 3.06Å; L707-L709 PolarHBondContact O-N 3.2Å; L709-L937 HydrophobicContact CB-CD1 4.36Å; L709-L937 WeakPolarHBondContact O-CD1 3.01Å; L709-Y939 HydrophobicContact CB-CE1 4.13Å; L709-Y939 HydrophobicContact CD1-CD1 4.06Å; L709-Y939 HydrophobicContact CD1-CE1 3.88Å; L709-Y942 HydrophobicContact CD1-CG 4.5Å; L709-L943 HydrophobicContact CD1-CD2 3.92Å; L709-V954 HydrophobicContact CD1-CG1 4.41Å; L709-V954 HydrophobicContact CD1-CG2 4.15Å; L709-V954 HydrophobicContact CD2-CG1 3.54Å; L709-V954 HydrophobicContact CD2-CG2 4.17Å; L709-V954 HydrophobicContact CG-CG2 4.48Å; L709-A959 HydrophobicContact CD2-CB 4.05Å; L709-F960 HydrophobicContact CD2-CE2 4.45Å
710N87.7Confident85.8Confident0 Ų034.8 Ų34.80%017%0.166CC..SBendtrans-81.7119.6175.5-163.9-35.8000110.5L707 E712 L713 Q928 V933 R935 L937L707-N710 WeakPolarHBondContact O-CB 3.2Å; L707-N710 PolarHBondContact O-N 2.95Å; N710-E712 PolarHBondContact O-N 3.35Å; N710-E712 PolarHBondContact OD1-N 3.28Å; N710-E712 VanDerWaalsContact OD1-N 3.09Å; N710-L713 HydrophobicContact CB-CB 4.41Å; N710-L713 HydrophobicContact CB-CD1 3.84Å; N710-L713 HydrophobicContact CB-CG 4.04Å; N710-L713 PolarHBondContact O-N 3.02Å; N710-Q928 PolarHBondContact ND2-OE1 3.05Å; N710-V933 WeakPolarHBondContact ND2-CG2 3.36Å; N710-R935 PolarHBondContact ND2-O 3.06Å; N710-L937 VanDerWaalsContact CA-CD1 3.5Å; N710-L937 HydrophobicContact CB-CD1 3.83Å; N710-L937 HydrophobicContact CB-CG 4.32Å
711P83.8Confident83.7Confident41 Ų4141.4 Ų41.427%0.26620%0.201SC..THydrogen-bonded Turntrans-66.5-16.3-178.226.7-34.5000114.1L713 Q776P711-L713 VanDerWaalsContact C-N 3.27Å; P711-Q776 PolarHBondContact O-NE2 2.85Å
712E87.7Confident82.1Confident39 Ų3942.7 Ų42.718%0.18221%0.211CC..THydrogen-bonded Turntrans-77.3-11.5172.7-67.8-178.8-172.100112.8N710 Q776 I777 V933 H934 R935N710-E712 PolarHBondContact O-N 3.35Å; N710-E712 PolarHBondContact OD1-N 3.28Å; N710-E712 VanDerWaalsContact OD1-N 3.09Å; E712-Q776 CarbonylContact O-C 3.53Å; E712-Q776 WeakPolarHBondContact O-CA 3.47Å; E712-I777 PolarHBondContact O-N 3.25Å; E712-V933 HydrophobicContact CB-CG2 3.81Å; E712-V933 HydrophobicContact CG-CG2 4.48Å; E712-V933 WeakPolarHBondContact OE2-CG2 3.37Å; E712-H934 WeakPolarHBondContact OE2-CB 2.96Å; E712-H934 PolarHBondContact OE2-N 3.06Å; E712-R935 HydrophobicContact CG-CB 4.27Å; E712-R935 WeakPolarHBondContact OE1-CB 3.31Å; E712-R935 PolarHBondContact OE1-N 2.75Å; E712-R935 VanDerWaalsContact OE1-N 3.17Å; E712-R935 PolarHBondContact OE2-N 2.91Å
713L89.7Confident80.6Confident7 Ų745.2 Ų45.24%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-105.6135.1-176.3-62.3175.5000111.6F690 L707 N710 P711 I777 F779 I931 V933F690-L713 HydrophobicContact CE1-CD2 3.85Å; F690-L713 HydrophobicContact CZ-CD2 4.15Å; L707-L713 HydrophobicContact CB-CD1 3.92Å; L707-L713 HydrophobicContact CD2-CD1 3.71Å; L707-L713 HydrophobicContact CG-CD1 4.39Å; L707-L713 WeakPolarHBondContact O-CD1 3.21Å; N710-L713 HydrophobicContact CB-CB 4.41Å; N710-L713 HydrophobicContact CB-CD1 3.84Å; N710-L713 HydrophobicContact CB-CG 4.04Å; N710-L713 PolarHBondContact O-N 3.02Å; P711-L713 VanDerWaalsContact C-N 3.27Å; L713-I777 HydrophobicContact CD2-CB 3.92Å; L713-I777 HydrophobicContact CD2-CG2 4.04Å; L713-F779 HydrophobicContact CB-CD1 4.35Å; L713-F779 HydrophobicContact CB-CE1 4.02Å; L713-I931 HydrophobicContact CD1-CD1 3.84Å; L713-I931 HydrophobicContact CD2-CD1 3.8Å; L713-V933 HydrophobicContact CD2-CG2 4.46Å; L713-V933 HydrophobicContact CG-CG2 4.45Å
714M89Confident79.6Confident24 Ų2448.7 Ų48.712%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-132.2123.2179.8175.1177.7-83.600110.8P748 Q776 I777 R778 F779M714-P748 HydrophobicContact CE-CB 3.65Å; M714-P748 HydrophobicContact CE-CG 3.87Å; M714-P748 HydrophobicContact CG-CG 4.1Å; M714-P748 HydrophobicContact SD-CB 3.62Å; M714-P748 VanDerWaalsContact SD-CD 3.53Å; M714-P748 HydrophobicContact SD-CG 3.63Å; M714-Q776 HydrophobicContact CB-CB 4.25Å; M714-I777 PolarHBondContact N-O 3.09Å; M714-R778 CarbonylContact O-C 3.53Å; M714-R778 VanDerWaalsContact O-CA 3.3Å; M714-R778 WeakPolarHBondContact O-CA 3.46Å; M714-F779 WeakPolarHBondContact O-CD1 3.48Å; M714-F779 PolarHBondContact O-N 3.45Å
715S90.2Very high79.1Confident11 Ų1148.8 Ų48.88%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-87.2171.7171690000112.1F779S715-F779 VanDerWaalsContact CA-O 3.28Å; S715-F779 WeakPolarHBondContact CA-O 3.05Å
716N88.7Confident79.3Confident4 Ų449.3 Ų49.32%0.02124%0.243CC..PPolyproline II helixtrans-55.8159.5163.960-75.2000112.4E725 L727 Q746 F747 F779N716-E725 PolarHBondContact ND2-O 3.45Å; N716-E725 VanDerWaalsContact ND2-O 3.08Å; N716-L727 HydrophobicContact CB-CD1 3.71Å; N716-L727 HydrophobicContact CB-CD2 4.06Å; N716-L727 HydrophobicContact CB-CG 3.94Å; N716-L727 WeakPolarHBondContact ND2-CD2 3.42Å; N716-Q746 CarbonylContact C-O 3.53Å; N716-Q746 WeakPolarHBondContact CA-O 2.99Å; N716-Q746 HydrophobicContact CB-CB 4.46Å; N716-F747 HydrophobicContact CB-CD1 4.16Å; N716-F747 HydrophobicContact CB-CE1 3.77Å; N716-F747 HydrophobicContact CB-CZ 4.18Å; N716-F779 PolarHBondContact N-O 2.82Å
717R82.1Confident79.4Confident138 Ų13849.6 Ų49.652%0.52125%0.245SC..PPolyproline II helixtrans-63.5136.6169.3-63.2176.6-163.9-146.45.9109.2Q746 P748R717-Q746 WeakPolarHBondContact CG-O 3.45Å; R717-Q746 PolarHBondContact N-O 3.33Å; R717-P748 HydrophobicContact CG-CG 4.37Å
718F75.7Confident79.5Confident60 Ų6052 Ų5226%0.26326%0.256SS..PPolyproline II helixtrans-81.4147.9172.2-66.7-115.4000108.3L704 L708 H720 E725L704-F718 HydrophobicContact CD2-CZ 3.94Å; L708-F718 HydrophobicContact CD1-CE2 4.45Å; L708-F718 HydrophobicContact CD1-CZ 4.34Å; F718-H720 PolarHBondContact O-N 3.24Å; F718-E725 HydrophobicContact CD1-CB 4.1Å; F718-E725 HydrophobicContact CE1-CB 3.6Å; F718-E725 HydrophobicContact CZ-CB 4.28Å
719Q65.3Low79.9Confident121 Ų12150.4 Ų50.457%0.56525%0.248SC*.PPolyproline II helixtrans-63.4137.4175.8-57.5174.6-5.900109.1D721 S722Q719-D721 PolarHBondContact O-N 3.03Å; Q719-S722 WeakPolarHBondContact CB-OG 3.17Å; Q719-S722 WeakPolarHBondContact O-CB 3.3Å; Q719-S722 PolarHBondContact O-N 2.98Å; Q719-S722 PolarHBondContact O-OG 2.88Å
720H52.4Low80.4Confident182 Ų18249.3 Ų49.384%0.84324%0.242SC*.THydrogen-bonded Turntrans-47.2121.5-171.8-71.426.7000110.9F718 S722F718-H720 PolarHBondContact O-N 3.24Å; H720-S722 PolarHBondContact O-N 2.89Å; H720-S722 VanDerWaalsContact O-N 3.11Å
721D50Low80.8Confident144 Ų14450.3 Ų50.377%0.7725%0.249SC*.THydrogen-bonded Turntrans62.110.7179.8-52.2-40000117Q719 Y759Q719-D721 PolarHBondContact O-N 3.03Å; D721-Y759 PolarHBondContact OD1-OH 3.04Å
722S55.9Low81.4Confident41 Ų4150 Ų5029%0.28725%0.248SC..  trans-99.6154.1174.287.60000112.1Q719 H720 F724Q719-S722 WeakPolarHBondContact CB-OG 3.17Å; Q719-S722 WeakPolarHBondContact O-CB 3.3Å; Q719-S722 PolarHBondContact O-N 2.98Å; Q719-S722 PolarHBondContact O-OG 2.88Å; H720-S722 PolarHBondContact O-N 2.89Å; H720-S722 VanDerWaalsContact O-N 3.11Å; S722-F724 PolarHBondContact OG-N 2.89Å; S722-F724 VanDerWaalsContact OG-N 3.15Å
723T59.5Low81.8Confident67 Ų6751.3 Ų51.341%0.41126%0.256SS..  trans-87.910.8166.154.10000112.3E725 W962T723-E725 PolarHBondContact O-N 3.12Å; T723-W962 HydrophobicContact CG2-CH2 4.08Å; T723-W962 HydrophobicContact CG2-CZ2 4.06Å
724F73.3Confident82.1Confident73 Ų7355.8 Ų55.832%0.3228%0.28SS..  trans-82.9110-174.6-172.3-107.4000110.2S722 E726 Q728S722-F724 PolarHBondContact OG-N 2.89Å; S722-F724 VanDerWaalsContact OG-N 3.15Å; F724-E726 HydrophobicContact CE1-CB 4.24Å; F724-E726 WeakPolarHBondContact CE1-O 3.46Å; F724-E726 HydrophobicContact CE2-CB 4.3Å; F724-E726 HydrophobicContact CZ-CB 3.88Å; F724-Q728 HydrophobicContact CZ-CG 4.37Å
725E82.5Confident82.4Confident2 Ų256 Ų561%0.00928%0.282CS..  trans-92.4-19.4-171.876-83.9-161.200114.3T701 L704 N716 F718 T723 K781 K971T701-E725 WeakPolarHBondContact CB-OE1 3.43Å; T701-E725 WeakPolarHBondContact CG2-OE1 3.46Å; T701-E725 PolarHBondContact OG1-OE1 2.89Å; L704-E725 HydrophobicContact CD1-CB 4.37Å; L704-E725 HydrophobicContact CD1-CG 4.31Å; N716-E725 PolarHBondContact ND2-O 3.45Å; N716-E725 VanDerWaalsContact ND2-O 3.08Å; F718-E725 HydrophobicContact CD1-CB 4.1Å; F718-E725 HydrophobicContact CE1-CB 3.6Å; F718-E725 HydrophobicContact CZ-CB 4.28Å; T723-E725 PolarHBondContact O-N 3.12Å; E725-K781 HydrophobicContact CG-CD 3.92Å; E725-K781 IonicContact OE1-NZ 2.63Å; E725-K781 PolarHBondContact OE1-NZ 2.87Å; E725-K971 IonicContact OE1-NZ 3.29Å; E725-K971 PolarHBondContact OE1-NZ 3.5Å; E725-K971 IonicContact OE2-NZ 3.1Å; E725-K971 PolarHBondContact OE2-NZ 2.72Å
726E90.9Very high82.8Confident17 Ų1755.6 Ų55.68%0.07928%0.278CS..  trans-85.6127.1-168.7-53-167.9163.900112.2F724 Q728 K781 A783F724-E726 HydrophobicContact CE1-CB 4.24Å; F724-E726 WeakPolarHBondContact CE1-O 3.46Å; F724-E726 HydrophobicContact CE2-CB 4.3Å; F724-E726 HydrophobicContact CZ-CB 3.88Å; E726-Q728 HydrophobicContact CB-CG 3.72Å; E726-Q728 PolarHBondContact OE2-NE2 3.27Å; E726-K781 WeakPolarHBondContact CA-O 3.47Å; E726-K781 HydrophobicContact CG-CD 4.25Å; E726-K781 IonicContact OE1-NZ 2.69Å; E726-K781 PolarHBondContact OE1-NZ 3.1Å; E726-A783 VanDerWaalsContact OE1-CB 3.3Å; E726-A783 WeakPolarHBondContact OE1-CB 3.4Å; E726-A783 PolarHBondContact OE1-N 2.87Å
727L93.2Very high83.2Confident14 Ų1457.2 Ų57.27%0.07329%0.29CS..  trans-75.6-34.9172.5-67.7-178.8000112.3N716 F729 I735 Y743 Q746 F747 S782N716-L727 HydrophobicContact CB-CD1 3.71Å; N716-L727 HydrophobicContact CB-CD2 4.06Å; N716-L727 HydrophobicContact CB-CG 3.94Å; N716-L727 WeakPolarHBondContact ND2-CD2 3.42Å; L727-F729 PolarHBondContact O-N 3.18Å; L727-I735 WeakPolarHBondContact O-CD1 3.22Å; L727-Y743 HydrophobicContact CD1-CD2 4.05Å; L727-Y743 HydrophobicContact CD1-CE2 3.66Å; L727-Q746 HydrophobicContact CD1-CB 3.89Å; L727-Q746 HydrophobicContact CD1-CG 4.21Å; L727-Q746 HydrophobicContact CD2-CB 3.95Å; L727-Q746 HydrophobicContact CD2-CG 3.93Å; L727-F747 HydrophobicContact CD1-CE2 4.41Å; L727-F747 HydrophobicContact CD1-CZ 4.07Å; L727-S782 PolarHBondContact N-OG 2.96Å
728Q94.8Very high83.8Confident50 Ų5056.5 Ų56.523%0.23429%0.287CS..  trans57.915-178.5-54.2-175.8-28.200114.7F724 E726 F730 S731 S732 I735 S782 T784F724-Q728 HydrophobicContact CZ-CG 4.37Å; E726-Q728 HydrophobicContact CB-CG 3.72Å; E726-Q728 PolarHBondContact OE2-NE2 3.27Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.49Å; Q728-S731 PolarHBondContact O-N 3.19Å; Q728-S731 PolarHBondContact O-OG 3.14Å; Q728-S731 VanDerWaalsContact O-OG 3.1Å; Q728-S732 PolarHBondContact O-N 2.95Å; Q728-I735 HydrophobicContact CB-CD1 4.16Å; Q728-S782 PolarHBondContact N-OG 3.04Å; Q728-T784 HydrophobicContact CG-CG2 4.48Å
729F97.4Very high84.7Confident0 Ų054.1 Ų54.10%028%0.279CS..THydrogen-bonded Turntrans-52.7-43.8-176.7179.4-107.8000112.4L727 S731 I735 Y736 W742 Y743 Y785 L798L727-F729 PolarHBondContact O-N 3.18Å; F729-S731 PolarHBondContact O-N 3.38Å; F729-I735 HydrophobicContact CB-CG2 4.4Å; F729-I735 HydrophobicContact CD2-CG2 4.1Å; F729-Y736 AromaticContact CD1-CD2 3.99Å; F729-Y736 HydrophobicContact CD1-CD2 3.99Å; F729-Y736 HydrophobicContact CD1-CE2 4.35Å; F729-Y736 HydrophobicContact CD2-CD2 4.44Å; F729-Y736 AromaticContact CE1-CD2 3.58Å; F729-Y736 HydrophobicContact CE1-CD2 3.58Å; F729-Y736 AromaticContact CE1-CE2 3.69Å; F729-Y736 HydrophobicContact CE1-CE2 3.69Å; F729-Y736 HydrophobicContact CE2-CD2 4.08Å; F729-Y736 HydrophobicContact CG-CD2 4.4Å; F729-Y736 AromaticContact CZ-CD2 3.62Å; F729-Y736 HydrophobicContact CZ-CD2 3.62Å; F729-Y736 AromaticContact CZ-CE2 3.95Å; F729-Y736 HydrophobicContact CZ-CE2 3.95Å; F729-Y736 WeakPolarHBondContact O-CB 3.42Å; F729-Y736 WeakPolarHBondContact O-CD2 3.31Å; F729-W742 HydrophobicContact CB-CZ3 4.4Å; F729-W742 AromaticContact CD2-CE3 3.79Å; F729-W742 HydrophobicContact CD2-CE3 3.79Å; F729-W742 AromaticContact CD2-CZ3 3.67Å; F729-W742 HydrophobicContact CD2-CZ3 3.67Å; F729-W742 HydrophobicContact CE2-CE3 4.08Å; F729-W742 HydrophobicContact CE2-CZ3 4.42Å; F729-W742 HydrophobicContact CG-CZ3 4.39Å; F729-Y743 HydrophobicContact CB-CD2 3.71Å; F729-Y743 HydrophobicContact CB-CE2 3.98Å; F729-Y743 HydrophobicContact CD1-CD1 4.33Å; F729-Y743 AromaticContact CD1-CD2 3.49Å; F729-Y743 HydrophobicContact CD1-CD2 3.49Å; F729-Y743 VanDerWaalsContact CD1-CD2 3.49Å; F729-Y743 AromaticContact CD1-CE2 3.95Å; F729-Y743 HydrophobicContact CD1-CE2 3.95Å; F729-Y743 AromaticContact CD1-CG 3.71Å; F729-Y743 HydrophobicContact CD1-CG 3.71Å; F729-Y743 HydrophobicContact CD2-CD2 4.1Å; F729-Y743 HydrophobicContact CD2-CG 4.39Å; F729-Y743 HydrophobicContact CE1-CD1 4.29Å; F729-Y743 HydrophobicContact CE1-CD2 4.11Å; F729-Y743 AromaticContact CE1-CG 3.83Å; F729-Y743 HydrophobicContact CE1-CG 3.83Å; F729-Y743 AromaticContact CG-CD2 3.5Å; F729-Y743 HydrophobicContact CG-CD2 3.5Å; F729-Y743 VanDerWaalsContact CG-CD2 3.5Å; F729-Y743 HydrophobicContact CG-CE2 4.12Å; F729-Y743 HydrophobicContact CG-CG 4.02Å; F729-Y743 HydrophobicContact CZ-CG 4.25Å; F729-Y785 PolarHBondContact N-OH 3.07Å; F729-L798 HydrophobicContact CE1-CD2 4.49Å
730F98.2Very high86.1Confident0 Ų048.7 Ų48.70%025%0.254CS..THydrogen-bonded Turntrans-83.9-5.2-178.1-57.5-70.3000114.9I691 Q728 Y736 Y743 E780 Y785 S791 R794 I795 L798 M799I691-F730 HydrophobicContact CD1-CE2 4.18Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.49Å; F730-Y736 HydrophobicContact CD1-CD2 4.46Å; F730-Y736 HydrophobicContact CD1-CE2 4.09Å; F730-Y736 HydrophobicContact CE1-CE2 4.4Å; F730-Y743 HydrophobicContact CE2-CE1 4.25Å; F730-Y743 HydrophobicContact CE2-CE2 4.06Å; F730-Y743 AromaticContact CE2-CZ 3.68Å; F730-Y743 WeakPolarHBondContact CE2-OH 3.38Å; F730-Y743 AromaticContact CZ-CE1 3.95Å; F730-Y743 HydrophobicContact CZ-CE1 3.95Å; F730-Y743 HydrophobicContact CZ-CE2 4.39Å; F730-Y743 AromaticContact CZ-CZ 3.86Å; F730-E780 WeakPolarHBondContact CE2-OE1 3.47Å; F730-Y785 HydrophobicContact CB-CD1 4.1Å; F730-Y785 HydrophobicContact CB-CE1 3.69Å; F730-Y785 HydrophobicContact CB-CE2 4.34Å; F730-Y785 HydrophobicContact CD2-CD2 4.46Å; F730-Y785 HydrophobicContact CD2-CE1 4.31Å; F730-Y785 AromaticContact CD2-CE2 3.64Å; F730-Y785 HydrophobicContact CD2-CE2 3.64Å; F730-Y785 AromaticContact CD2-CZ 3.55Å; F730-Y785 WeakPolarHBondContact CD2-OH 3.39Å; F730-Y785 HydrophobicContact CG-CE1 4.5Å; F730-Y785 HydrophobicContact CG-CE2 4.48Å; F730-Y785 PolarHBondContact N-OH 2.9Å; F730-S791 VanDerWaalsContact C-OG 3.3Å; F730-S791 WeakPolarHBondContact O-CA 3.23Å; F730-S791 PolarHBondContact O-OG 3.21Å; F730-R794 HydrophobicContact CB-CB 4.41Å; F730-R794 HydrophobicContact CD1-CB 3.66Å; F730-R794 HydrophobicContact CE1-CB 4.45Å; F730-R794 HydrophobicContact CG-CB 4.48Å; F730-R794 WeakPolarHBondContact O-CD 3.43Å; F730-I795 HydrophobicContact CB-CD1 4.28Å; F730-I795 HydrophobicContact CB-CG1 3.89Å; F730-I795 HydrophobicContact CD1-CG1 3.75Å; F730-I795 HydrophobicContact CD2-CD1 3.87Å; F730-I795 HydrophobicContact CD2-CG1 3.42Å; F730-I795 VanDerWaalsContact CD2-CG1 3.42Å; F730-I795 HydrophobicContact CE1-CG1 4.06Å; F730-I795 HydrophobicContact CE2-CD1 4.43Å; F730-I795 HydrophobicContact CE2-CG1 3.79Å; F730-I795 HydrophobicContact CG-CD1 4.12Å; F730-I795 HydrophobicContact CG-CG1 3.4Å; F730-I795 HydrophobicContact CZ-CG1 4.09Å; F730-L798 HydrophobicContact CE1-CD2 4.06Å; F730-L798 HydrophobicContact CZ-CD2 3.96Å; F730-M799 HydrophobicContact CE2-CE 3.86Å; F730-M799 HydrophobicContact CZ-CE 3.55Å
731S96.8Very high88.1Confident21 Ų2142.2 Ų42.215%0.14722%0.224CC..THydrogen-bonded Turntrans-113.1-14.9-179.350.10000114.6Q728 F729 T784 Y785 N788Q728-S731 PolarHBondContact O-N 3.19Å; Q728-S731 PolarHBondContact O-OG 3.14Å; Q728-S731 VanDerWaalsContact O-OG 3.1Å; F729-S731 PolarHBondContact O-N 3.38Å; S731-T784 PolarHBondContact OG-OG1 3.14Å; S731-Y785 WeakPolarHBondContact OG-CE1 2.94Å; S731-N788 PolarHBondContact O-ND2 3.45Å; S731-N788 VanDerWaalsContact O-ND2 3.14Å
732S96.4Very high90.3Very high35 Ų3538.5 Ų38.525%0.24520%0.2CC..  trans-114.1122.1-179.3175.90000110.6Q728 D734 I735 Y736Q728-S732 PolarHBondContact O-N 2.95Å; S732-D734 VanDerWaalsContact C-N 3.3Å; S732-D734 PolarHBondContact O-N 3.03Å; S732-I735 PolarHBondContact O-N 3.38Å; S732-I735 PolarHBondContact OG-N 3.17Å; S732-Y736 WeakPolarHBondContact O-CB 3.44Å; S732-Y736 PolarHBondContact O-N 3.21Å
733D95.9Very high92.1Very high66 Ų6636.6 Ų36.635%0.35319%0.186SC..Hα-helixtrans-65.8-34.4177.7-71.12.4000111.7L660 S737 K790 R794L660-D733 HydrophobicContact CD1-CB 4.09Å; L660-D733 VanDerWaalsContact CD1-O 3.24Å; L660-D733 WeakPolarHBondContact CD1-O 3.35Å; D733-S737 VanDerWaalsContact O-CB 3.3Å; D733-S737 WeakPolarHBondContact O-CB 3.26Å; D733-S737 PolarHBondContact O-N 2.95Å; D733-K790 IonicContact OD1-NZ 3.14Å; D733-K790 IonicContact OD2-NZ 3.21Å; D733-K790 PolarHBondContact OD2-NZ 2.76Å; D733-R794 IonicContact OD1-CZ 3.04Å; D733-R794 IonicContact OD1-NH1 2.65Å; D733-R794 PolarHBondContact OD1-NH1 3.45Å; D733-R794 IonicContact OD1-NH2 3.08Å; D733-R794 PolarHBondContact OD1-NH2 3.21Å; D733-R794 IonicContact OD2-NH2 3.8Å
734D95.7Very high93.8Very high102 Ų10233.5 Ų33.555%0.54517%0.167SC..Hα-helixtrans-58.5-50.2174.3178.678.9000111.4S732 S737 R738S732-D734 VanDerWaalsContact C-N 3.3Å; S732-D734 PolarHBondContact O-N 3.03Å; D734-S737 PolarHBondContact O-OG 3.46Å; D734-R738 IonicContact OD2-NH2 3.06Å; D734-R738 PolarHBondContact OD2-NH2 3.22Å
735I96Very high94.7Very high29 Ų2932.9 Ų32.915%0.14917%0.167CC..Hα-helixtrans-73.1-41.8-177.8-52.5176.4000110.2L727 Q728 F729 S732 S737 R738 W742L727-I735 WeakPolarHBondContact O-CD1 3.22Å; Q728-I735 HydrophobicContact CB-CD1 4.16Å; F729-I735 HydrophobicContact CB-CG2 4.4Å; F729-I735 HydrophobicContact CD2-CG2 4.1Å; S732-I735 PolarHBondContact O-N 3.38Å; S732-I735 PolarHBondContact OG-N 3.17Å; I735-S737 PolarHBondContact O-N 3.35Å; I735-R738 VanDerWaalsContact O-CB 3.27Å; I735-R738 WeakPolarHBondContact O-CB 3.47Å; I735-R738 WeakPolarHBondContact O-CG 3.36Å; I735-R738 PolarHBondContact O-N 3.47Å; I735-R738 VanDerWaalsContact O-N 3.08Å; I735-W742 HydrophobicContact CG2-CE3 4.27Å; I735-W742 HydrophobicContact CG2-CH2 3.42Å; I735-W742 VanDerWaalsContact CG2-CH2 3.42Å; I735-W742 HydrophobicContact CG2-CZ2 4.23Å; I735-W742 HydrophobicContact CG2-CZ3 3.44Å; I735-W742 VanDerWaalsContact CG2-CZ3 3.44Å
736Y97.7Very high95.1Very high1 Ų134.6 Ų34.60%0.00418%0.175CC..Hα-helixtrans-59.1-36.5178.2-165.9-116.1000111.9L660 P661 Y663 F729 F730 S732 R738 G739 R794L660-Y736 HydrophobicContact CB-CD1 3.82Å; L660-Y736 HydrophobicContact CB-CE1 4.09Å; L660-Y736 HydrophobicContact CD1-CD1 3.83Å; L660-Y736 HydrophobicContact CG-CD1 4.48Å; P661-Y736 WeakPolarHBondContact O-CE1 3.34Å; P661-Y736 PolarHBondContact O-OH 2.98Å; Y663-Y736 HydrophobicContact CD2-CD1 4.39Å; Y663-Y736 HydrophobicContact CD2-CD2 4.38Å; Y663-Y736 AromaticContact CD2-CE1 3.74Å; Y663-Y736 HydrophobicContact CD2-CE1 3.74Å; Y663-Y736 AromaticContact CD2-CE2 3.71Å; Y663-Y736 HydrophobicContact CD2-CE2 3.71Å; Y663-Y736 AromaticContact CD2-CZ 3.34Å; Y663-Y736 WeakPolarHBondContact CD2-OH 3.29Å; Y663-Y736 HydrophobicContact CE2-CD1 4.05Å; Y663-Y736 AromaticContact CE2-CE1 3.75Å; Y663-Y736 HydrophobicContact CE2-CE1 3.75Å; Y663-Y736 HydrophobicContact CE2-CE2 4.24Å; Y663-Y736 HydrophobicContact CE2-CG 4.43Å; Y663-Y736 AromaticContact CE2-CZ 3.85Å; Y663-Y736 WeakPolarHBondContact CE2-O 3.32Å; Y663-Y736 PolarHBondContact N-OH 3.41Å; F729-Y736 AromaticContact CD1-CD2 3.99Å; F729-Y736 HydrophobicContact CD1-CD2 3.99Å; F729-Y736 HydrophobicContact CD1-CE2 4.35Å; F729-Y736 HydrophobicContact CD2-CD2 4.44Å; F729-Y736 AromaticContact CE1-CD2 3.58Å; F729-Y736 HydrophobicContact CE1-CD2 3.58Å; F729-Y736 AromaticContact CE1-CE2 3.69Å; F729-Y736 HydrophobicContact CE1-CE2 3.69Å; F729-Y736 HydrophobicContact CE2-CD2 4.08Å; F729-Y736 HydrophobicContact CG-CD2 4.4Å; F729-Y736 AromaticContact CZ-CD2 3.62Å; F729-Y736 HydrophobicContact CZ-CD2 3.62Å; F729-Y736 AromaticContact CZ-CE2 3.95Å; F729-Y736 HydrophobicContact CZ-CE2 3.95Å; F729-Y736 WeakPolarHBondContact O-CB 3.42Å; F729-Y736 WeakPolarHBondContact O-CD2 3.31Å; F730-Y736 HydrophobicContact CD1-CD2 4.46Å; F730-Y736 HydrophobicContact CD1-CE2 4.09Å; F730-Y736 HydrophobicContact CE1-CE2 4.4Å; S732-Y736 WeakPolarHBondContact O-CB 3.44Å; S732-Y736 PolarHBondContact O-N 3.21Å; Y736-R738 PolarHBondContact O-N 2.86Å; Y736-R738 VanDerWaalsContact O-N 3.07Å; Y736-G739 PolarHBondContact O-N 3.5Å; Y736-R794 HydrophobicContact CE1-CG 4.12Å; Y736-R794 HydrophobicContact CE2-CB 3.97Å; Y736-R794 HydrophobicContact CE2-CG 3.99Å
737S96.7Very high95Very high39 Ų3933.9 Ų33.927%0.27317%0.172SC..THydrogen-bonded Turntrans-61.6-17178.780.90000113.7Y553 D733 D734 I735 G739Y553-S737 VanDerWaalsContact CE2-O 3.24Å; Y553-S737 WeakPolarHBondContact CE2-O 3.5Å; Y553-S737 PolarHBondContact OH-O 2.98Å; D733-S737 VanDerWaalsContact O-CB 3.3Å; D733-S737 WeakPolarHBondContact O-CB 3.26Å; D733-S737 PolarHBondContact O-N 2.95Å; D734-S737 PolarHBondContact O-OG 3.46Å; I735-S737 PolarHBondContact O-N 3.35Å; S737-G739 PolarHBondContact O-N 2.76Å
738R95.6Very high94.4Very high123 Ų12334.9 Ų34.946%0.46418%0.179SC..THydrogen-bonded Turntrans-71.4-14.8175.3-56.2174.7-174.9-115.8-1.9113D734 I735 Y736 W742D734-R738 IonicContact OD2-NH2 3.06Å; D734-R738 PolarHBondContact OD2-NH2 3.22Å; I735-R738 VanDerWaalsContact O-CB 3.27Å; I735-R738 WeakPolarHBondContact O-CB 3.47Å; I735-R738 WeakPolarHBondContact O-CG 3.36Å; I735-R738 PolarHBondContact O-N 3.47Å; I735-R738 VanDerWaalsContact O-N 3.08Å; Y736-R738 PolarHBondContact O-N 2.86Å; Y736-R738 VanDerWaalsContact O-N 3.07Å; R738-W742 HydrophobicContact CB-CB 3.74Å; R738-W742 HydrophobicContact CB-CD2 3.88Å; R738-W742 HydrophobicContact CB-CE3 4.27Å; R738-W742 HydrophobicContact CB-CG 3.61Å; R738-W742 HydrophobicContact CG-CG 4.47Å; R738-W742 WeakPolarHBondContact O-CB 3.48Å
739G94.9Very high93.3Very high9 Ų935.2 Ų35.29%0.09318%0.182CC..Hα-helixtrans82.6172.6171.600000115.7Y736 S737 H741 W742 Y743Y736-G739 PolarHBondContact O-N 3.5Å; S737-G739 PolarHBondContact O-N 2.76Å; G739-H741 VanDerWaalsContact C-N 3.34Å; G739-H741 PolarHBondContact O-N 2.99Å; G739-W742 PolarHBondContact O-N 3.17Å; G739-Y743 PolarHBondContact O-N 2.92Å
740V94.9Very high91.6Very high7 Ų738.5 Ų38.54%0.04220%0.2CC..Hα-helixtrans-61.4-39.3-175179.70000112.6Y663 W676 W742 Y743 M744 L798Y663-V740 HydrophobicContact CD1-CG2 3.98Å; Y663-V740 HydrophobicContact CD2-CG2 4.14Å; Y663-V740 HydrophobicContact CG-CG2 3.56Å; W676-V740 HydrophobicContact CH2-CB 4.2Å; V740-W742 VanDerWaalsContact C-N 3.34Å; V740-W742 PolarHBondContact O-N 2.97Å; V740-Y743 WeakPolarHBondContact O-CB 3.38Å; V740-Y743 PolarHBondContact O-N 3.04Å; V740-Y743 VanDerWaalsContact O-N 3.13Å; V740-M744 HydrophobicContact CG1-CE 3.47Å; V740-M744 VanDerWaalsContact CG1-CE 3.47Å; V740-M744 HydrophobicContact CG1-CG 4.13Å; V740-M744 HydrophobicContact CG1-SD 3.79Å; V740-M744 WeakPolarHBondContact O-CG 3Å; V740-M744 PolarHBondContact O-N 2.67Å; V740-L798 HydrophobicContact CG1-CD1 3.85Å; V740-L798 HydrophobicContact CG2-CD1 3.87Å; V740-L798 HydrophobicContact CG2-CD2 4.47Å
741H94.7Very high89.3Confident46 Ų4643.5 Ų43.521%0.21324%0.235CC..Hα-helixtrans-58.9-46.2178.5172.8-139.5000111.6W676 W680 G739 Y743 M744 N745W676-H741 HydrophobicContact CH2-CB 3.96Å; W676-H741 HydrophobicContact CZ2-CB 4.08Å; W680-H741 AromaticContact CD1-CE1 3.71Å; W680-H741 AromaticContact CD1-NE2 3.72Å; W680-H741 HydrophobicContact CD2-CB 3.92Å; W680-H741 AromaticContact CD2-CD2 3.84Å; W680-H741 AromaticContact CD2-CE1 3.79Å; W680-H741 AromaticContact CD2-CG 3.48Å; W680-H741 VanDerWaalsContact CD2-CG 3.48Å; W680-H741 AromaticContact CD2-ND1 3.47Å; W680-H741 AromaticContact CE2-CE1 3.45Å; W680-H741 VanDerWaalsContact CE2-CE1 3.45Å; W680-H741 AromaticContact CE2-CG 3.81Å; W680-H741 AromaticContact CE2-ND1 3.25Å; W680-H741 HydrophobicContact CE3-CB 3.48Å; W680-H741 VanDerWaalsContact CE3-CB 3.48Å; W680-H741 AromaticContact CE3-CG 3.61Å; W680-H741 AromaticContact CE3-ND1 3.86Å; W680-H741 AromaticContact CG-CD2 3.75Å; W680-H741 AromaticContact CG-CE1 3.93Å; W680-H741 AromaticContact CG-CG 3.91Å; W680-H741 AromaticContact CG-NE2 3.77Å; W680-H741 HydrophobicContact CH2-CB 4.2Å; W680-H741 AromaticContact CH2-ND1 3.77Å; W680-H741 AromaticContact CZ2-CE1 3.94Å; W680-H741 AromaticContact CZ2-ND1 3.41Å; W680-H741 WeakPolarHBondContact CZ2-ND1 3.45Å; W680-H741 HydrophobicContact CZ3-CB 3.62Å; W680-H741 AromaticContact CZ3-CG 3.98Å; W680-H741 AromaticContact CZ3-ND1 3.99Å; W680-H741 AromaticContact NE1-CE1 3.44Å; W680-H741 PolarHBondContact NE1-CE1 3.12Å; W680-H741 AromaticContact NE1-ND1 3.76Å; W680-H741 AromaticContact NE1-NE2 3.94Å; G739-H741 VanDerWaalsContact C-N 3.34Å; G739-H741 PolarHBondContact O-N 2.99Å; H741-Y743 VanDerWaalsContact C-N 3.3Å; H741-Y743 PolarHBondContact O-N 3.2Å; H741-M744 PolarHBondContact O-N 3.26Å; H741-N745 PolarHBondContact CD2-ND2 3.36Å; H741-N745 VanDerWaalsContact CD2-ND2 3.25Å; H741-N745 PolarHBondContact NE2-ND2 3.36Å; H741-N745 PolarHBondContact O-N 2.92Å; H741-N745 VanDerWaalsContact O-N 3.1Å; H741-N745 PolarHBondContact O-ND2 3.07Å
742W94.4Very high86.7Confident67 Ų6747.1 Ų47.125%0.25425%0.252SS..Hα-helixtrans-59.7-43.7175.4177.789.1000111.3F729 I735 R738 G739 V740 N745 Q746F729-W742 HydrophobicContact CB-CZ3 4.4Å; F729-W742 AromaticContact CD2-CE3 3.79Å; F729-W742 HydrophobicContact CD2-CE3 3.79Å; F729-W742 AromaticContact CD2-CZ3 3.67Å; F729-W742 HydrophobicContact CD2-CZ3 3.67Å; F729-W742 HydrophobicContact CE2-CE3 4.08Å; F729-W742 HydrophobicContact CE2-CZ3 4.42Å; F729-W742 HydrophobicContact CG-CZ3 4.39Å; I735-W742 HydrophobicContact CG2-CE3 4.27Å; I735-W742 HydrophobicContact CG2-CH2 3.42Å; I735-W742 VanDerWaalsContact CG2-CH2 3.42Å; I735-W742 HydrophobicContact CG2-CZ2 4.23Å; I735-W742 HydrophobicContact CG2-CZ3 3.44Å; I735-W742 VanDerWaalsContact CG2-CZ3 3.44Å; R738-W742 HydrophobicContact CB-CB 3.74Å; R738-W742 HydrophobicContact CB-CD2 3.88Å; R738-W742 HydrophobicContact CB-CE3 4.27Å; R738-W742 HydrophobicContact CB-CG 3.61Å; R738-W742 HydrophobicContact CG-CG 4.47Å; R738-W742 WeakPolarHBondContact O-CB 3.48Å; G739-W742 PolarHBondContact O-N 3.17Å; V740-W742 VanDerWaalsContact C-N 3.34Å; V740-W742 PolarHBondContact O-N 2.97Å; W742-N745 PolarHBondContact O-N 3.15Å; W742-Q746 HydrophobicContact CD2-CG 4.43Å; W742-Q746 VanDerWaalsContact CE2-NE2 3.34Å; W742-Q746 HydrophobicContact CE3-CG 4.2Å; W742-Q746 HydrophobicContact CH2-CG 3.9Å; W742-Q746 HydrophobicContact CZ2-CG 4.16Å; W742-Q746 HydrophobicContact CZ3-CG 3.92Å; W742-Q746 WeakPolarHBondContact O-CG 3.36Å; W742-Q746 PolarHBondContact O-N 3.49Å; W742-Q746 PolarHBondContact O-NE2 3.1Å
743Y95.6Very high84.1Confident0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-63.5-46.4179.8180-111.7000112.5L687 P688 L727 F729 F730 G739 V740 H741 N745 Q746 F747 E780 L798 M799L687-Y743 HydrophobicContact CD2-CD1 3.85Å; L687-Y743 HydrophobicContact CD2-CE1 3.79Å; P688-Y743 WeakPolarHBondContact CG-OH 3.42Å; L727-Y743 HydrophobicContact CD1-CD2 4.05Å; L727-Y743 HydrophobicContact CD1-CE2 3.66Å; F729-Y743 HydrophobicContact CB-CD2 3.71Å; F729-Y743 HydrophobicContact CB-CE2 3.98Å; F729-Y743 HydrophobicContact CD1-CD1 4.33Å; F729-Y743 AromaticContact CD1-CD2 3.49Å; F729-Y743 HydrophobicContact CD1-CD2 3.49Å; F729-Y743 VanDerWaalsContact CD1-CD2 3.49Å; F729-Y743 AromaticContact CD1-CE2 3.95Å; F729-Y743 HydrophobicContact CD1-CE2 3.95Å; F729-Y743 AromaticContact CD1-CG 3.71Å; F729-Y743 HydrophobicContact CD1-CG 3.71Å; F729-Y743 HydrophobicContact CD2-CD2 4.1Å; F729-Y743 HydrophobicContact CD2-CG 4.39Å; F729-Y743 HydrophobicContact CE1-CD1 4.29Å; F729-Y743 HydrophobicContact CE1-CD2 4.11Å; F729-Y743 AromaticContact CE1-CG 3.83Å; F729-Y743 HydrophobicContact CE1-CG 3.83Å; F729-Y743 AromaticContact CG-CD2 3.5Å; F729-Y743 HydrophobicContact CG-CD2 3.5Å; F729-Y743 VanDerWaalsContact CG-CD2 3.5Å; F729-Y743 HydrophobicContact CG-CE2 4.12Å; F729-Y743 HydrophobicContact CG-CG 4.02Å; F729-Y743 HydrophobicContact CZ-CG 4.25Å; F730-Y743 HydrophobicContact CE2-CE1 4.25Å; F730-Y743 HydrophobicContact CE2-CE2 4.06Å; F730-Y743 AromaticContact CE2-CZ 3.68Å; F730-Y743 WeakPolarHBondContact CE2-OH 3.38Å; F730-Y743 AromaticContact CZ-CE1 3.95Å; F730-Y743 HydrophobicContact CZ-CE1 3.95Å; F730-Y743 HydrophobicContact CZ-CE2 4.39Å; F730-Y743 AromaticContact CZ-CZ 3.86Å; G739-Y743 PolarHBondContact O-N 2.92Å; V740-Y743 WeakPolarHBondContact O-CB 3.38Å; V740-Y743 PolarHBondContact O-N 3.04Å; V740-Y743 VanDerWaalsContact O-N 3.13Å; H741-Y743 VanDerWaalsContact C-N 3.3Å; H741-Y743 PolarHBondContact O-N 3.2Å; Y743-N745 VanDerWaalsContact C-N 3.27Å; Y743-N745 PolarHBondContact O-N 3.2Å; Y743-Q746 WeakPolarHBondContact O-CB 3.41Å; Y743-Q746 PolarHBondContact O-N 3.18Å; Y743-F747 HydrophobicContact CE1-CE2 4.15Å; Y743-F747 HydrophobicContact CE2-CE2 4.15Å; Y743-F747 HydrophobicContact CE2-CZ 4.31Å; Y743-F747 AromaticContact CZ-CE2 3.95Å; Y743-F747 WeakPolarHBondContact O-CD2 3.19Å; Y743-F747 WeakPolarHBondContact O-CE2 3.45Å; Y743-E780 PolarHBondContact OH-OE1 3.39Å; Y743-L798 HydrophobicContact CD1-CD2 3.91Å; Y743-L798 HydrophobicContact CE1-CD2 4.09Å; Y743-M799 HydrophobicContact CE1-CE 4.39Å
744M93.8Very high81Confident2 Ų249.5 Ų49.51%0.0127%0.267CS..Hα-helixtrans-59.5-37.8176-72.9172.6170.900112P681 H686 L687 V740 H741 Q746 F747P681-M744 HydrophobicContact CB-CB 4.2Å; P681-M744 HydrophobicContact CB-SD 4.23Å; P681-M744 HydrophobicContact CG-CB 3.72Å; P681-M744 HydrophobicContact CG-SD 4.18Å; H686-M744 HydrophobicContact CB-CB 4.3Å; H686-M744 HydrophobicContact CB-CG 4.11Å; H686-M744 HydrophobicContact CB-SD 4.29Å; L687-M744 HydrophobicContact CD1-CE 3.93Å; L687-M744 HydrophobicContact CD2-CE 3.95Å; L687-M744 HydrophobicContact CD2-CG 3.93Å; L687-M744 HydrophobicContact CG-CE 3.85Å; L687-M744 HydrophobicContact CG-CG 4.44Å; V740-M744 HydrophobicContact CG1-CE 3.47Å; V740-M744 VanDerWaalsContact CG1-CE 3.47Å; V740-M744 HydrophobicContact CG1-CG 4.13Å; V740-M744 HydrophobicContact CG1-SD 3.79Å; V740-M744 WeakPolarHBondContact O-CG 3Å; V740-M744 PolarHBondContact O-N 2.67Å; H741-M744 PolarHBondContact O-N 3.26Å; M744-Q746 PolarHBondContact O-N 3.23Å; M744-F747 PolarHBondContact O-N 3.28Å
745N92.2Very high78.2Confident60 Ų6047.2 Ų47.232%0.32126%0.258SS..THydrogen-bonded Turntrans-70.6-9.9177.7-73.9-19.9000114.4H741 W742 Y743 F747H741-N745 PolarHBondContact CD2-ND2 3.36Å; H741-N745 VanDerWaalsContact CD2-ND2 3.25Å; H741-N745 PolarHBondContact NE2-ND2 3.36Å; H741-N745 PolarHBondContact O-N 2.92Å; H741-N745 VanDerWaalsContact O-N 3.1Å; H741-N745 PolarHBondContact O-ND2 3.07Å; W742-N745 PolarHBondContact O-N 3.15Å; Y743-N745 VanDerWaalsContact C-N 3.27Å; Y743-N745 PolarHBondContact O-N 3.2Å; N745-F747 PolarHBondContact O-N 2.88Å
746Q91.3Very high75.3Confident39 Ų3951.1 Ų51.118%0.18228%0.283CS..THydrogen-bonded Turntrans-73.4-10.6172.9-55.4-46.2-61.800112.4N716 R717 L727 W742 Y743 M744N716-Q746 CarbonylContact C-O 3.53Å; N716-Q746 WeakPolarHBondContact CA-O 2.99Å; N716-Q746 HydrophobicContact CB-CB 4.46Å; R717-Q746 WeakPolarHBondContact CG-O 3.45Å; R717-Q746 PolarHBondContact N-O 3.33Å; L727-Q746 HydrophobicContact CD1-CB 3.89Å; L727-Q746 HydrophobicContact CD1-CG 4.21Å; L727-Q746 HydrophobicContact CD2-CB 3.95Å; L727-Q746 HydrophobicContact CD2-CG 3.93Å; W742-Q746 HydrophobicContact CD2-CG 4.43Å; W742-Q746 VanDerWaalsContact CE2-NE2 3.34Å; W742-Q746 HydrophobicContact CE3-CG 4.2Å; W742-Q746 HydrophobicContact CH2-CG 3.9Å; W742-Q746 HydrophobicContact CZ2-CG 4.16Å; W742-Q746 HydrophobicContact CZ3-CG 3.92Å; W742-Q746 WeakPolarHBondContact O-CG 3.36Å; W742-Q746 PolarHBondContact O-N 3.49Å; W742-Q746 PolarHBondContact O-NE2 3.1Å; Y743-Q746 WeakPolarHBondContact O-CB 3.41Å; Y743-Q746 PolarHBondContact O-N 3.18Å; M744-Q746 PolarHBondContact O-N 3.23Å
747F89.2Confident72.3Confident1 Ų158.7 Ų58.70%0.00432%0.318CS..SBendtrans-101.9142177.8-57.3-85.5000110.4P688 N716 L727 Y743 M744 N745 R778 E780P688-F747 HydrophobicContact CG-CE1 3.67Å; P688-F747 HydrophobicContact CG-CE2 3.96Å; P688-F747 HydrophobicContact CG-CZ 3.27Å; N716-F747 HydrophobicContact CB-CD1 4.16Å; N716-F747 HydrophobicContact CB-CE1 3.77Å; N716-F747 HydrophobicContact CB-CZ 4.18Å; L727-F747 HydrophobicContact CD1-CE2 4.41Å; L727-F747 HydrophobicContact CD1-CZ 4.07Å; Y743-F747 HydrophobicContact CE1-CE2 4.15Å; Y743-F747 HydrophobicContact CE2-CE2 4.15Å; Y743-F747 HydrophobicContact CE2-CZ 4.31Å; Y743-F747 AromaticContact CZ-CE2 3.95Å; Y743-F747 WeakPolarHBondContact O-CD2 3.19Å; Y743-F747 WeakPolarHBondContact O-CE2 3.45Å; M744-F747 PolarHBondContact O-N 3.28Å; N745-F747 PolarHBondContact O-N 2.88Å; F747-R778 HydrophobicContact CD1-CB 4.3Å; F747-R778 HydrophobicContact CD1-CG 4.37Å; F747-E780 HydrophobicContact CE1-CB 4.32Å; F747-E780 HydrophobicContact CZ-CB 4.24Å
748P80Confident69.5Low36 Ų3658.6 Ų58.623%0.23432%0.32CS..PPolyproline II helixtrans-61.6148.1171.7-18.728.6000112.4M714 R717 R778M714-P748 HydrophobicContact CE-CB 3.65Å; M714-P748 HydrophobicContact CE-CG 3.87Å; M714-P748 HydrophobicContact CG-CG 4.1Å; M714-P748 HydrophobicContact SD-CB 3.62Å; M714-P748 VanDerWaalsContact SD-CD 3.53Å; M714-P748 HydrophobicContact SD-CG 3.63Å; R717-P748 HydrophobicContact CG-CG 4.37Å; P748-R778 PolarHBondContact O-NH2 3.39Å
749N72.1Confident66.6Low56 Ų5659.5 Ų59.530%0.29932%0.324SS..PPolyproline II helixtrans-82.6140.6175-80.8-7.8000110.6S751 I752N749-S751 PolarHBondContact O-N 3.05Å; N749-S751 VanDerWaalsContact O-N 3.13Å; N749-I752 PolarHBondContact O-N 3.26Å
750N61.9Low63.5Low70 Ų7067 Ų6737%0.37436%0.362SS..THydrogen-bonded Turntrans-57.9-28.3177.9-69.1-3.2000112.6R778N750-R778 PolarHBondContact OD1-NH1 3.4Å; N750-R778 PolarHBondContact OD1-NH2 2.9Å
751S50.3Low60.7Low105 Ų10569 Ų6973%0.73437%0.371SS*.THydrogen-bonded Turntrans-79.4-15.6-177.2480000114.8N749N749-S751 PolarHBondContact O-N 3.05Å; N749-S751 VanDerWaalsContact O-N 3.13Å
752I41.1Very low57.7Low97 Ų9772.7 Ų72.750%0.49739%0.391SS..  trans-112.367.4-178.1-48.2175.4000108.9N749N749-I752 PolarHBondContact O-N 3.26Å
753I41.6Very low54.9Low77 Ų7776.6 Ų76.640%0.39542%0.417SS..  trans-108.768.3150.6-51179.9000106.6L769I753-L769 HydrophobicContact CG2-CB 4.4Å; I753-L769 HydrophobicContact CG2-CD1 3.92Å
754S32.2Very low52.3Low73 Ų7383.2 Ų83.251%0.5145%0.453SS..  trans-68.6132.3141.8-91.40000106.1T756S754-T756 PolarHBondContact O-N 3.11Å
755P36.8Very low49.8Very low55 Ų5588.3 Ų88.336%0.35747%0.472SS..THydrogen-bonded Turntrans-57.7-0.8-175.1-20.626.9000116.1S766P755-S766 VanDerWaalsContact CG-OG 3.23Å; P755-S766 WeakPolarHBondContact CG-OG 3.27Å
756T34.3Very low47.4Very low111 Ų11186.9 Ų86.968%0.68147%0.467SS*.THydrogen-bonded Turntrans-90.5-9.4-172.952.10000115.3S754 A758S754-T756 PolarHBondContact O-N 3.11Å; T756-A758 CarbonylContact C-O 3.57Å
757H34Very low44.9Very low159 Ų15990.3 Ų90.374%0.73649%0.486SS*.SBendtrans-100-2.9172.7-81.3-64.6000114.6Y759H757-Y759 PolarHBondContact O-N 3.48Å
758A38.7Very low42.7Very low38 Ų3896.3 Ų96.331%0.31451%0.51SS..SBendtrans-66.2115.6143.700000104.8T756 D760T756-A758 CarbonylContact C-O 3.57Å; A758-D760 PolarHBondContact O-N 3.48Å; A758-D760 VanDerWaalsContact O-N 3.11Å
759Y35.7Very low41Very low142 Ų14296.6 Ų96.656%0.55751%0.509SS*.SBendtrans-28.2120.9167.1-105.9-95.4000109.3D721 H757 F761D721-Y759 PolarHBondContact OD1-OH 3.04Å; H757-Y759 PolarHBondContact O-N 3.48Å; Y759-F761 VanDerWaalsContact O-CB 3.29Å; Y759-F761 WeakPolarHBondContact O-CB 3.35Å; Y759-F761 WeakPolarHBondContact O-CD2 3.49Å; Y759-F761 PolarHBondContact O-N 2.91Å
760D28.8Very low39.4Very low167 Ų167101.5 Ų101.589%0.89353%0.528SS*.SBendtrans-27.490.6-174.6-163.611.2000113A758A758-D760 PolarHBondContact O-N 3.48Å; A758-D760 VanDerWaalsContact O-N 3.11Å
761F35.9Very low38.3Very low49 Ų49102.3 Ų102.322%0.21554%0.539CS..  trans-126.9102.6-175.6-105-65.1000106Y759 N958 F960 S961Y759-F761 VanDerWaalsContact O-CB 3.29Å; Y759-F761 WeakPolarHBondContact O-CB 3.35Å; Y759-F761 WeakPolarHBondContact O-CD2 3.49Å; Y759-F761 PolarHBondContact O-N 2.91Å; F761-N958 HydrophobicContact CD1-CB 4.05Å; F761-N958 HydrophobicContact CE1-CB 4.03Å; F761-F960 VanDerWaalsContact CE2-C 3.46Å; F761-F960 WeakPolarHBondContact CZ-O 3.49Å; F761-S961 VanDerWaalsContact CE2-N 3.31Å
762D32.7Very low38.2Very low122 Ų122103.5 Ų103.565%0.65253%0.528SS*.  trans17.5126.2166-103.4-25.7000117.5N764 R765D762-N764 PolarHBondContact O-N 3.31Å; D762-R765 PolarHBondContact O-N 2.92Å; D762-R765 VanDerWaalsContact O-N 3.14Å
763N35.9Very low38.5Very low149 Ų149104.3 Ų104.380%0.79755%0.549SS*.THydrogen-bonded Turntrans-44.4-12.7-176.9-74.1-42.9000117.7
764N39.2Very low39.1Very low139 Ų139103.6 Ų103.674%0.74356%0.555SS**THydrogen-bonded Turntrans-77.6-13.5176-82.1-21.8000115.4D762D762-N764 PolarHBondContact O-N 3.31Å
765R42.5Very low40.8Very low109 Ų109105.1 Ų105.141%0.41155%0.554SS.*Hα-helixtrans-79.3-25.9176.9-160.9172.9167.1109.20.6113.4D762 N767 Y768 L769D762-R765 PolarHBondContact O-N 2.92Å; D762-R765 VanDerWaalsContact O-N 3.14Å; R765-N767 PolarHBondContact O-N 3.2Å; R765-Y768 PolarHBondContact O-N 2.97Å; R765-Y768 VanDerWaalsContact O-N 3.12Å; R765-L769 HydrophobicContact CG-CD1 4.17Å; R765-L769 PolarHBondContact O-N 2.8Å
766S41.7Very low42.8Very low30 Ų30104 Ų10421%0.2154%0.544CS..Hα-helixtrans-56.6-34.9175.1-178.90000112.5P755 K770P755-S766 VanDerWaalsContact CG-OG 3.23Å; P755-S766 WeakPolarHBondContact CG-OG 3.27Å; S766-K770 VanDerWaalsContact O-CG 3.31Å; S766-K770 WeakPolarHBondContact O-CG 3.48Å
767N38.7Very low45.5Very low111 Ų111100.1 Ų100.159%0.59452%0.519SS*.Hα-helixtrans-80.8-23.6178.8-74.3-18.5000113.9R765R765-N767 PolarHBondContact O-N 3.2Å
768Y42.3Very low48.2Very low127 Ų12793 Ų9350%0.49849%0.485SS..Hα-helixtrans-83.3-24.9179.7-157-94.5000113R765 Y772 R935R765-Y768 PolarHBondContact O-N 2.97Å; R765-Y768 VanDerWaalsContact O-N 3.12Å; Y768-Y772 HydrophobicContact CE1-CE2 4.42Å; Y768-Y772 WeakPolarHBondContact O-CD2 3.33Å; Y768-Y772 WeakPolarHBondContact O-CE2 3.43Å; Y768-R935 PolarHBondContact OH-NH2 2.92Å
769L44Very low51Low42 Ų4291.1 Ų91.122%0.2247%0.47CS..Hα-helixtrans-90.1-21.2178.4-72.7165.7000113.7I753 R765 S771I753-L769 HydrophobicContact CG2-CB 4.4Å; I753-L769 HydrophobicContact CG2-CD1 3.92Å; R765-L769 HydrophobicContact CG-CD1 4.17Å; R765-L769 PolarHBondContact O-N 2.8Å; L769-S771 PolarHBondContact O-N 3.23Å; L769-S771 VanDerWaalsContact O-N 3.14Å
770K39.8Very low53.8Low160 Ų16084.4 Ų84.470%0.69644%0.444SS*.THydrogen-bonded Turntrans-61.9-19.2-178.9-89.2176-178.4178.70114.9S766S766-K770 VanDerWaalsContact O-CG 3.31Å; S766-K770 WeakPolarHBondContact O-CG 3.48Å
771S39.4Very low57Low86 Ų8676.6 Ų76.660%0.60140%0.402SS*.THydrogen-bonded Turntrans-103.30.7-173.872.20000115.7L769L769-S771 PolarHBondContact O-N 3.23Å; L769-S771 VanDerWaalsContact O-N 3.14Å
772Y47.5Very low59.9Low130 Ų13074.2 Ų74.251%0.5139%0.392SS..  trans-115.692-174.9-64.4-76.7000111.1Y768 A774Y768-Y772 HydrophobicContact CE1-CE2 4.42Å; Y768-Y772 WeakPolarHBondContact O-CD2 3.33Å; Y768-Y772 WeakPolarHBondContact O-CE2 3.43Å; Y772-A774 PolarHBondContact O-N 3.29Å
773A46.3Very low62.9Low114 Ų11468.5 Ų68.594%0.94236%0.361SS*.  trans-76.812.5171.200000113.4
774A55Low65.7Low62 Ų6262.5 Ų62.551%0.51233%0.33SS..PPolyproline II helixtrans-77130.7-178.700000110.4Y772 Q776Y772-A774 PolarHBondContact O-N 3.29Å; A774-Q776 PolarHBondContact O-N 3.49Å
775E67.2Low68.5Low105 Ų10555.9 Ų55.949%0.49129%0.294SS..PPolyproline II helixtrans-58.9124.9174.5179.6160.7-141.800110.6N685N685-E775 WeakPolarHBondContact CB-OE1 3.19Å; N685-E775 PolarHBondContact ND2-OE1 2.93Å
776Q79.9Confident71.1Confident32 Ų3250.7 Ų50.715%0.1528%0.275CS..PPolyproline II helixtrans-78138.9179.4-69.4177.8-52.400111.3P711 E712 M714 A774 R778P711-Q776 PolarHBondContact O-NE2 2.85Å; E712-Q776 CarbonylContact O-C 3.53Å; E712-Q776 WeakPolarHBondContact O-CA 3.47Å; M714-Q776 HydrophobicContact CB-CB 4.25Å; A774-Q776 PolarHBondContact O-N 3.49Å; Q776-R778 PolarHBondContact O-N 2.92Å
777I89.8Confident73.7Confident30 Ų3050.1 Ų50.115%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-79.7115.1175.4-58.7171.9000108.6F690 E712 L713 M714 V933F690-I777 HydrophobicContact CD1-CG2 4.19Å; F690-I777 HydrophobicContact CE1-CG2 3.99Å; E712-I777 PolarHBondContact O-N 3.25Å; L713-I777 HydrophobicContact CD2-CB 3.92Å; L713-I777 HydrophobicContact CD2-CG2 4.04Å; M714-I777 PolarHBondContact N-O 3.09Å; I777-V933 HydrophobicContact CD1-CB 4.31Å; I777-V933 HydrophobicContact CD1-CG2 4.31Å
778R92.5Very high76.4Confident8 Ų846.4 Ų46.43%0.0325%0.25CC..EExtended strand (participates in β ladder)trans-79.7143.2177.8-71.2173.6179.165.612.7111.5N685 P688 S689 M714 F747 P748 N750 Q776N685-R778 WeakPolarHBondContact O-CD 3.46Å; N685-R778 PolarHBondContact O-NE 2.84Å; N685-R778 PolarHBondContact O-NH1 2.98Å; P688-R778 CarbonylContact C-O 3.59Å; P688-R778 WeakPolarHBondContact CA-O 3.45Å; S689-R778 PolarHBondContact N-O 3.35Å; M714-R778 CarbonylContact O-C 3.53Å; M714-R778 VanDerWaalsContact O-CA 3.3Å; M714-R778 WeakPolarHBondContact O-CA 3.46Å; F747-R778 HydrophobicContact CD1-CB 4.3Å; F747-R778 HydrophobicContact CD1-CG 4.37Å; P748-R778 PolarHBondContact O-NH2 3.39Å; N750-R778 PolarHBondContact OD1-NH1 3.4Å; N750-R778 PolarHBondContact OD1-NH2 2.9Å; Q776-R778 PolarHBondContact O-N 2.92Å
779F95.6Very high78.8Confident0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-148.6163171.477.9-80.5000112.5F690 I692 L704 L707 L708 L713 M714 S715 N716F690-F779 HydrophobicContact CD1-CB 3.78Å; F690-F779 HydrophobicContact CD2-CB 3.76Å; F690-F779 HydrophobicContact CD2-CD2 4.41Å; F690-F779 HydrophobicContact CD2-CG 4.34Å; F690-F779 HydrophobicContact CE1-CB 3.45Å; F690-F779 VanDerWaalsContact CE1-CB 3.45Å; F690-F779 HydrophobicContact CE1-CD1 4.2Å; F690-F779 AromaticContact CE1-CG 3.93Å; F690-F779 HydrophobicContact CE1-CG 3.93Å; F690-F779 HydrophobicContact CE2-CB 3.41Å; F690-F779 VanDerWaalsContact CE2-CB 3.41Å; F690-F779 HydrophobicContact CE2-CD1 4.34Å; F690-F779 AromaticContact CE2-CD2 3.55Å; F690-F779 HydrophobicContact CE2-CD2 3.55Å; F690-F779 HydrophobicContact CE2-CE2 4.37Å; F690-F779 AromaticContact CE2-CG 3.53Å; F690-F779 HydrophobicContact CE2-CG 3.53Å; F690-F779 HydrophobicContact CG-CB 3.93Å; F690-F779 HydrophobicContact CZ-CB 3.25Å; F690-F779 AromaticContact CZ-CD1 3.67Å; F690-F779 HydrophobicContact CZ-CD1 3.67Å; F690-F779 AromaticContact CZ-CD2 3.75Å; F690-F779 HydrophobicContact CZ-CD2 3.75Å; F690-F779 HydrophobicContact CZ-CE1 4.42Å; F690-F779 HydrophobicContact CZ-CE2 4.48Å; F690-F779 AromaticContact CZ-CG 3.28Å; F690-F779 HydrophobicContact CZ-CG 3.28Å; F690-F779 WeakPolarHBondContact O-CA 3.36Å; F690-F779 VanDerWaalsContact O-CB 3.31Å; F690-F779 WeakPolarHBondContact O-CB 3.48Å; I692-F779 HydrophobicContact CD1-CD2 4.47Å; I692-F779 HydrophobicContact CD1-CE2 4.28Å; L704-F779 HydrophobicContact CB-CE2 4.32Å; L704-F779 HydrophobicContact CD1-CE2 4.15Å; L704-F779 HydrophobicContact CG-CE2 3.95Å; L704-F779 HydrophobicContact CG-CZ 4.22Å; L707-F779 HydrophobicContact CB-CE1 4.38Å; L707-F779 HydrophobicContact CB-CE2 4.42Å; L707-F779 HydrophobicContact CB-CZ 3.87Å; L707-F779 HydrophobicContact CD1-CE2 4.07Å; L707-F779 HydrophobicContact CD1-CZ 4.31Å; L708-F779 HydrophobicContact CD2-CE1 3.89Å; L708-F779 HydrophobicContact CD2-CZ 4.01Å; L708-F779 HydrophobicContact CG-CE1 4.4Å; L708-F779 HydrophobicContact CG-CZ 4.06Å; L713-F779 HydrophobicContact CB-CD1 4.35Å; L713-F779 HydrophobicContact CB-CE1 4.02Å; M714-F779 WeakPolarHBondContact O-CD1 3.48Å; M714-F779 PolarHBondContact O-N 3.45Å; S715-F779 VanDerWaalsContact CA-O 3.28Å; S715-F779 WeakPolarHBondContact CA-O 3.05Å; N716-F779 PolarHBondContact N-O 2.82Å
780E95.7Very high81.3Confident0 Ų045.7 Ų45.70%026%0.257CS..EExtended strand (participates in β ladder)trans-134171.216869147.2159.100111.8P688 F690 I691 I692 F730 Y743 F747 S782 Y785P688-E780 HydrophobicContact CG-CB 4.5Å; P688-E780 HydrophobicContact CG-CG 4.22Å; F690-E780 PolarHBondContact O-N 3.08Å; I691-E780 WeakPolarHBondContact CA-O 3.47Å; I691-E780 HydrophobicContact CB-CG 4.45Å; I691-E780 HydrophobicContact CD1-CG 4.24Å; I691-E780 HydrophobicContact CG1-CG 3.87Å; I691-E780 HydrophobicContact CG2-CG 4.01Å; I692-E780 PolarHBondContact N-O 3.39Å; F730-E780 WeakPolarHBondContact CE2-OE1 3.47Å; Y743-E780 PolarHBondContact OH-OE1 3.39Å; F747-E780 HydrophobicContact CE1-CB 4.32Å; F747-E780 HydrophobicContact CZ-CB 4.24Å; E780-S782 PolarHBondContact OE2-OG 3.31Å; E780-Y785 VanDerWaalsContact OE1-CE2 3.26Å; E780-Y785 WeakPolarHBondContact OE1-CE2 3.49Å; E780-Y785 PolarHBondContact OE1-OH 3.15Å; E780-Y785 VanDerWaalsContact OE1-OH 3.11Å; E780-Y785 PolarHBondContact OE2-OH 2.79Å
781K95.7Very high84.1Confident3 Ų338 Ų381%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-138.5126.2172.5178.3-90.6179.3-179.30108.9I692 S700 L704 E725 E726I692-K781 HydrophobicContact CB-CB 3.89Å; I692-K781 HydrophobicContact CB-CG 3.7Å; I692-K781 HydrophobicContact CD1-CB 4.28Å; I692-K781 HydrophobicContact CD1-CG 4.38Å; I692-K781 HydrophobicContact CG2-CG 3.83Å; I692-K781 WeakPolarHBondContact O-CA 3.44Å; S700-K781 WeakPolarHBondContact OG-CE 3.31Å; S700-K781 PolarHBondContact OG-NZ 3.27Å; L704-K781 HydrophobicContact CB-CB 4.39Å; L704-K781 HydrophobicContact CD1-CB 3.55Å; L704-K781 HydrophobicContact CD1-CG 4.44Å; E725-K781 HydrophobicContact CG-CD 3.92Å; E725-K781 IonicContact OE1-NZ 2.63Å; E725-K781 PolarHBondContact OE1-NZ 2.87Å; E726-K781 WeakPolarHBondContact CA-O 3.47Å; E726-K781 HydrophobicContact CG-CD 4.25Å; E726-K781 IonicContact OE1-NZ 2.69Å; E726-K781 PolarHBondContact OE1-NZ 3.1Å
782S96.4Very high86.8Confident0 Ų034 Ų340%020%0.195CC..  trans-144.6109.3168.8-63.90000108.3I692 I693 L727 Q728 E780 T784 Y785I692-S782 PolarHBondContact O-N 3.28Å; I692-S782 VanDerWaalsContact O-N 3.1Å; I693-S782 CarbonylContact C-O 3.26Å; I693-S782 VanDerWaalsContact O-O 3.08Å; L727-S782 PolarHBondContact N-OG 2.96Å; Q728-S782 PolarHBondContact N-OG 3.04Å; E780-S782 PolarHBondContact OE2-OG 3.31Å; S782-T784 PolarHBondContact O-N 3.45Å; S782-Y785 VanDerWaalsContact CB-CE2 3.44Å; S782-Y785 PolarHBondContact O-N 3.04Å; S782-Y785 PolarHBondContact OG-OH 3.3Å
783A95.2Very high89.1Confident1 Ų128.4 Ų28.41%0.00818%0.177CC..THydrogen-bonded Turntrans-74.5-10.7-173.300000113.3I693 Q696 E726 Y785I693-A783 CarbonylContact O-C 3.57Å; I693-A783 WeakPolarHBondContact O-CA 2.98Å; Q696-A783 HydrophobicContact CB-CB 4.37Å; Q696-A783 HydrophobicContact CG-CB 3.63Å; E726-A783 VanDerWaalsContact OE1-CB 3.3Å; E726-A783 WeakPolarHBondContact OE1-CB 3.4Å; E726-A783 PolarHBondContact OE1-N 2.87Å; A783-Y785 VanDerWaalsContact C-N 3.25Å
784T94.5Very high91.5Very high23 Ų2323.2 Ų23.214%0.14113%0.132CC..THydrogen-bonded Turntrans-72.9-13.6173.553.40000113.4Q728 S731 S782 N788Q728-T784 HydrophobicContact CG-CG2 4.48Å; S731-T784 PolarHBondContact OG-OG1 3.14Å; S782-T784 PolarHBondContact O-N 3.45Å; T784-N788 VanDerWaalsContact O-CB 3.26Å; T784-N788 WeakPolarHBondContact O-CB 3.47Å
785Y98.1Very high93.6Very high0 Ų020.2 Ų20.20%011%0.108CC..SBendtrans-73.2-38.7-179.1-63.7-15.7000112I691 I693 F729 F730 S731 E780 S782 A783 D787 N788 I795 W899I691-Y785 HydrophobicContact CG2-CD2 4.03Å; I691-Y785 HydrophobicContact CG2-CE2 4.12Å; I693-Y785 HydrophobicContact CG2-CD2 4.24Å; F729-Y785 PolarHBondContact N-OH 3.07Å; F730-Y785 HydrophobicContact CB-CD1 4.1Å; F730-Y785 HydrophobicContact CB-CE1 3.69Å; F730-Y785 HydrophobicContact CB-CE2 4.34Å; F730-Y785 HydrophobicContact CD2-CD2 4.46Å; F730-Y785 HydrophobicContact CD2-CE1 4.31Å; F730-Y785 AromaticContact CD2-CE2 3.64Å; F730-Y785 HydrophobicContact CD2-CE2 3.64Å; F730-Y785 AromaticContact CD2-CZ 3.55Å; F730-Y785 WeakPolarHBondContact CD2-OH 3.39Å; F730-Y785 HydrophobicContact CG-CE1 4.5Å; F730-Y785 HydrophobicContact CG-CE2 4.48Å; F730-Y785 PolarHBondContact N-OH 2.9Å; S731-Y785 WeakPolarHBondContact OG-CE1 2.94Å; E780-Y785 VanDerWaalsContact OE1-CE2 3.26Å; E780-Y785 WeakPolarHBondContact OE1-CE2 3.49Å; E780-Y785 PolarHBondContact OE1-OH 3.15Å; E780-Y785 VanDerWaalsContact OE1-OH 3.11Å; E780-Y785 PolarHBondContact OE2-OH 2.79Å; S782-Y785 VanDerWaalsContact CB-CE2 3.44Å; S782-Y785 PolarHBondContact O-N 3.04Å; S782-Y785 PolarHBondContact OG-OH 3.3Å; A783-Y785 VanDerWaalsContact C-N 3.25Å; Y785-D787 VanDerWaalsContact C-N 3.31Å; Y785-D787 PolarHBondContact O-N 3.43Å; Y785-N788 PolarHBondContact O-N 3.07Å; Y785-N788 VanDerWaalsContact O-N 3.13Å; Y785-I795 HydrophobicContact CD2-CD1 4.02Å; Y785-I795 HydrophobicContact CE2-CD1 4.4Å; Y785-W899 WeakPolarHBondContact O-CZ2 3.48Å
786F97.8Very high95Very high1 Ų118.8 Ų18.80%0.00410%0.101CC..THydrogen-bonded Turntrans-50.6-48-172.2-179.3-98.5000113.3I693 P695 V806 L808 Y892 Y895 L896 W899I693-F786 HydrophobicContact CD1-CD2 4.37Å; I693-F786 VanDerWaalsContact O-CB 3.27Å; I693-F786 WeakPolarHBondContact O-CB 3.38Å; I693-F786 PolarHBondContact O-N 3Å; P695-F786 HydrophobicContact CB-CB 4.19Å; P695-F786 HydrophobicContact CB-CD1 3.54Å; P695-F786 HydrophobicContact CB-CE1 4.07Å; P695-F786 HydrophobicContact CB-CG 3.92Å; P695-F786 HydrophobicContact CG-CD1 3.91Å; P695-F786 HydrophobicContact CG-CE1 3.98Å; P695-F786 HydrophobicContact CG-CG 4.25Å; P695-F786 HydrophobicContact CG-CZ 4.42Å; F786-V806 HydrophobicContact CD2-CG1 3.89Å; F786-V806 HydrophobicContact CD2-CG2 4.41Å; F786-V806 HydrophobicContact CE2-CG1 3.6Å; F786-V806 HydrophobicContact CE2-CG2 4.44Å; F786-L808 HydrophobicContact CE2-CD2 4.49Å; F786-L808 HydrophobicContact CZ-CD2 4.28Å; F786-Y892 AromaticContact CE1-CD1 3.82Å; F786-Y892 HydrophobicContact CE1-CD1 3.82Å; F786-Y892 HydrophobicContact CE1-CE1 4.45Å; F786-Y892 AromaticContact CZ-CD1 3.86Å; F786-Y892 HydrophobicContact CZ-CD1 3.86Å; F786-Y895 HydrophobicContact CD1-CD2 4.2Å; F786-Y895 HydrophobicContact CD1-CG 4.3Å; F786-Y895 AromaticContact CE1-CD2 3.65Å; F786-Y895 HydrophobicContact CE1-CD2 3.65Å; F786-Y895 AromaticContact CE1-CG 3.97Å; F786-Y895 HydrophobicContact CE1-CG 3.97Å; F786-Y895 HydrophobicContact CZ-CD2 4.43Å; F786-L896 HydrophobicContact CE2-CD2 4.15Å; F786-L896 HydrophobicContact CE2-CG 4.37Å; F786-L896 HydrophobicContact CZ-CG 4.48Å; F786-W899 PolarHBondContact O-NE1 3.35Å
787D95.5Very high95.6Very high18 Ų1818.1 Ų18.110%0.09610%0.101CC..THydrogen-bonded Turntrans-99.62.7-176.659.4-51.3000114.3Y785 R885 P889 Y895Y785-D787 VanDerWaalsContact C-N 3.31Å; Y785-D787 PolarHBondContact O-N 3.43Å; D787-R885 IonicContact OD2-CZ 3.51Å; D787-R885 IonicContact OD2-NH1 3.41Å; D787-R885 PolarHBondContact OD2-NH1 3.07Å; D787-R885 IonicContact OD2-NH2 3.43Å; D787-R885 PolarHBondContact OD2-NH2 3.2Å; D787-P889 HydrophobicContact CB-CB 3.97Å; D787-P889 HydrophobicContact CB-CG 4.24Å; D787-P889 WeakPolarHBondContact OD2-CG 3.43Å; D787-Y895 HydrophobicContact CB-CD1 4.09Å; D787-Y895 HydrophobicContact CB-CD2 4.48Å; D787-Y895 HydrophobicContact CB-CE1 3.68Å; D787-Y895 HydrophobicContact CB-CE2 4.15Å; D787-Y895 HydrophobicContact CB-CG 4.46Å
788N96.2Very high95.9Very high33 Ų3316.8 Ų16.818%0.1769%0.094CC..  trans-86.4125.7178.6-176.2-73.1000111S731 T784 Y785 K790 S791 P792S731-N788 PolarHBondContact O-ND2 3.45Å; S731-N788 VanDerWaalsContact O-ND2 3.14Å; T784-N788 VanDerWaalsContact O-CB 3.26Å; T784-N788 WeakPolarHBondContact O-CB 3.47Å; Y785-N788 PolarHBondContact O-N 3.07Å; Y785-N788 VanDerWaalsContact O-N 3.13Å; N788-K790 VanDerWaalsContact C-N 3.29Å; N788-K790 PolarHBondContact O-N 3.13Å; N788-K790 WeakPolarHBondContact OD1-CA 3.17Å; N788-K790 WeakPolarHBondContact OD1-CB 3.38Å; N788-K790 PolarHBondContact OD1-N 2.61Å; N788-S791 WeakPolarHBondContact CB-OG 3.18Å; N788-S791 PolarHBondContact O-N 2.88Å; N788-S791 PolarHBondContact OD1-N 2.68Å; N788-S791 PolarHBondContact OD1-OG 3.31Å; N788-P792 WeakPolarHBondContact O-CD 3.37Å
789P93.6Very high96.1Very high97 Ų9717 Ų1763%0.6310%0.096SC*.SBendtrans-67.8-24.3-175.125.8-34.2000114
790K95.4Very high96Very high56 Ų5618.4 Ų18.424%0.24311%0.105CC..SBendtrans-88.2-26-177.8-59.4-170.9-179.1-164.40113.3E659 D733 N788 A793 R794E659-K790 WeakPolarHBondContact OE2-CE 3.4Å; E659-K790 IonicContact OE2-NZ 2.98Å; E659-K790 PolarHBondContact OE2-NZ 3.44Å; D733-K790 IonicContact OD1-NZ 3.14Å; D733-K790 IonicContact OD2-NZ 3.21Å; D733-K790 PolarHBondContact OD2-NZ 2.76Å; N788-K790 VanDerWaalsContact C-N 3.29Å; N788-K790 PolarHBondContact O-N 3.13Å; N788-K790 WeakPolarHBondContact OD1-CA 3.17Å; N788-K790 WeakPolarHBondContact OD1-CB 3.38Å; N788-K790 PolarHBondContact OD1-N 2.61Å; K790-A793 PolarHBondContact O-N 3.2Å; K790-R794 WeakPolarHBondContact O-CG 3.43Å; K790-R794 PolarHBondContact O-N 2.93Å
791S98.1Very high95.9Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-58.7-44.6-172.6-630000114.2F730 N788 A793 R794 I795F730-S791 VanDerWaalsContact C-OG 3.3Å; F730-S791 WeakPolarHBondContact O-CA 3.23Å; F730-S791 PolarHBondContact O-OG 3.21Å; N788-S791 WeakPolarHBondContact CB-OG 3.18Å; N788-S791 PolarHBondContact O-N 2.88Å; N788-S791 PolarHBondContact OD1-N 2.68Å; N788-S791 PolarHBondContact OD1-OG 3.31Å; S791-A793 PolarHBondContact O-N 3.46Å; S791-R794 PolarHBondContact O-N 2.77Å; S791-I795 WeakPolarHBondContact O-CB 3.42Å; S791-I795 VanDerWaalsContact O-CG1 3.27Å; S791-I795 WeakPolarHBondContact O-CG1 3.41Å; S791-I795 PolarHBondContact O-N 3.4Å
792P97.8Very high96Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-58.2-47.2-179.9-2736.3000113.5N788 I795 Q796 W899 Y902N788-P792 WeakPolarHBondContact O-CD 3.37Å; P792-I795 PolarHBondContact O-N 2.78Å; P792-Q796 VanDerWaalsContact O-CB 3.28Å; P792-Q796 WeakPolarHBondContact O-CB 3.27Å; P792-Q796 PolarHBondContact O-N 2.81Å; P792-W899 HydrophobicContact CB-CD2 4.2Å; P792-W899 HydrophobicContact CB-CE3 3.87Å; P792-W899 HydrophobicContact CB-CZ3 4.06Å; P792-W899 HydrophobicContact CG-CD2 3.73Å; P792-W899 HydrophobicContact CG-CE3 3.87Å; P792-W899 HydrophobicContact CG-CG 4.32Å; P792-W899 HydrophobicContact CG-CH2 4.1Å; P792-W899 HydrophobicContact CG-CZ2 3.94Å; P792-W899 HydrophobicContact CG-CZ3 4.06Å; P792-Y902 HydrophobicContact CB-CD2 3.42Å; P792-Y902 VanDerWaalsContact CB-CD2 3.42Å; P792-Y902 HydrophobicContact CB-CE2 3.91Å; P792-Y902 HydrophobicContact CB-CG 3.98Å
793A94.8Very high96.1Very high14 Ų1428 Ų2812%0.11615%0.149CC..Hα-helixtrans-64.2-43.2179.500000112.2L662 K790 S791 Q796 A797 Y902L662-A793 HydrophobicContact CD2-CB 4.23Å; K790-A793 PolarHBondContact O-N 3.2Å; S791-A793 PolarHBondContact O-N 3.46Å; A793-Q796 PolarHBondContact O-N 3.07Å; A793-A797 WeakPolarHBondContact O-CB 3.42Å; A793-A797 PolarHBondContact O-N 3.47Å; A793-Y902 HydrophobicContact CB-CD1 4.23Å; A793-Y902 HydrophobicContact CB-CE1 3.56Å
794R96.9Very high96.2Very high4 Ų428 Ų282%0.01515%0.149CC..Hα-helixtrans-66.5-40.2179.6-66.9176.5165.9170.10.1112.7L662 F730 D733 Y736 K790 S791 L798L662-R794 HydrophobicContact CD2-CB 4.49Å; L662-R794 HydrophobicContact CD2-CG 3.82Å; F730-R794 HydrophobicContact CB-CB 4.41Å; F730-R794 HydrophobicContact CD1-CB 3.66Å; F730-R794 HydrophobicContact CE1-CB 4.45Å; F730-R794 HydrophobicContact CG-CB 4.48Å; F730-R794 WeakPolarHBondContact O-CD 3.43Å; D733-R794 IonicContact OD1-CZ 3.04Å; D733-R794 IonicContact OD1-NH1 2.65Å; D733-R794 PolarHBondContact OD1-NH1 3.45Å; D733-R794 IonicContact OD1-NH2 3.08Å; D733-R794 PolarHBondContact OD1-NH2 3.21Å; D733-R794 IonicContact OD2-NH2 3.8Å; Y736-R794 HydrophobicContact CE1-CG 4.12Å; Y736-R794 HydrophobicContact CE2-CB 3.97Å; Y736-R794 HydrophobicContact CE2-CG 3.99Å; K790-R794 WeakPolarHBondContact O-CG 3.43Å; K790-R794 PolarHBondContact O-N 2.93Å; S791-R794 PolarHBondContact O-N 2.77Å; R794-L798 PolarHBondContact O-N 3.46Å
795I98.1Very high96.3Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-68.6-44.5176.9-66.1176.3000110I691 F730 Y785 S791 P792 A797 L798 M799 V802 W899 F903I691-I795 HydrophobicContact CD1-CD1 4.09Å; I691-I795 HydrophobicContact CD1-CG1 4.46Å; I691-I795 HydrophobicContact CD1-CG2 4.09Å; F730-I795 HydrophobicContact CB-CD1 4.28Å; F730-I795 HydrophobicContact CB-CG1 3.89Å; F730-I795 HydrophobicContact CD1-CG1 3.75Å; F730-I795 HydrophobicContact CD2-CD1 3.87Å; F730-I795 HydrophobicContact CD2-CG1 3.42Å; F730-I795 VanDerWaalsContact CD2-CG1 3.42Å; F730-I795 HydrophobicContact CE1-CG1 4.06Å; F730-I795 HydrophobicContact CE2-CD1 4.43Å; F730-I795 HydrophobicContact CE2-CG1 3.79Å; F730-I795 HydrophobicContact CG-CD1 4.12Å; F730-I795 HydrophobicContact CG-CG1 3.4Å; F730-I795 HydrophobicContact CZ-CG1 4.09Å; Y785-I795 HydrophobicContact CD2-CD1 4.02Å; Y785-I795 HydrophobicContact CE2-CD1 4.4Å; S791-I795 WeakPolarHBondContact O-CB 3.42Å; S791-I795 VanDerWaalsContact O-CG1 3.27Å; S791-I795 WeakPolarHBondContact O-CG1 3.41Å; S791-I795 PolarHBondContact O-N 3.4Å; P792-I795 PolarHBondContact O-N 2.78Å; I795-A797 VanDerWaalsContact C-N 3.3Å; I795-A797 PolarHBondContact O-N 2.76Å; I795-L798 PolarHBondContact O-N 3.38Å; I795-M799 HydrophobicContact CG2-CE 4.17Å; I795-M799 CarbonylContact O-C 3.58Å; I795-M799 WeakPolarHBondContact O-CA 3.31Å; I795-M799 PolarHBondContact O-N 2.89Å; I795-V802 HydrophobicContact CG2-CG1 3.61Å; I795-W899 HydrophobicContact CD1-CH2 3.71Å; I795-W899 HydrophobicContact CD1-CZ3 4.05Å; I795-F903 HydrophobicContact CB-CZ 4.19Å; I795-F903 HydrophobicContact CG2-CE2 4.49Å; I795-F903 HydrophobicContact CG2-CZ 3.77Å
796Q96.6Very high96.3Very high75 Ų7526.9 Ų26.935%0.3514%0.142SC..Hα-helixtrans-62.8-38.1-179.1-174.3-83-11.100111.9P792 A793 P800 Y902 F903P792-Q796 VanDerWaalsContact O-CB 3.28Å; P792-Q796 WeakPolarHBondContact O-CB 3.27Å; P792-Q796 PolarHBondContact O-N 2.81Å; A793-Q796 PolarHBondContact O-N 3.07Å; Q796-P800 WeakPolarHBondContact O-CA 3.47Å; Q796-P800 WeakPolarHBondContact O-CB 3.41Å; Q796-P800 WeakPolarHBondContact O-CD 3.46Å; Q796-Y902 HydrophobicContact CB-CD1 4.34Å; Q796-F903 HydrophobicContact CB-CE1 4.17Å; Q796-F903 HydrophobicContact CB-CE2 3.94Å; Q796-F903 HydrophobicContact CB-CZ 3.58Å; Q796-F903 HydrophobicContact CG-CE1 4.41Å; Q796-F903 HydrophobicContact CG-CZ 4.27Å
797A93.9Very high96.1Very high18 Ų1826.8 Ų26.815%0.14914%0.142CC..Hα-helixtrans-63.5-44.617800000112.1L662 Y663 S664 A793 I795L662-A797 HydrophobicContact CB-CB 3.82Å; Y663-A797 CarbonylContact O-C 3.55Å; Y663-A797 WeakPolarHBondContact O-CB 3.45Å; S664-A797 WeakPolarHBondContact CA-O 3.33Å; A793-A797 WeakPolarHBondContact O-CB 3.42Å; A793-A797 PolarHBondContact O-N 3.47Å; I795-A797 VanDerWaalsContact C-N 3.3Å; I795-A797 PolarHBondContact O-N 2.76Å
798L95.5Very high96.1Very high1 Ų126 Ų261%0.00514%0.137CC..Hα-helixtrans-79.7-42.5-177.8-172.756000112.1Y663 D665 L687 F729 F730 V740 Y743 R794 I795Y663-L798 VanDerWaalsContact O-CA 3.23Å; Y663-L798 WeakPolarHBondContact O-CA 3.36Å; Y663-L798 WeakPolarHBondContact O-CB 3.46Å; Y663-L798 PolarHBondContact O-N 3.45Å; D665-L798 HydrophobicContact CB-CD1 4.36Å; L687-L798 HydrophobicContact CD1-CD1 4.25Å; L687-L798 HydrophobicContact CD1-CG 4.28Å; L687-L798 HydrophobicContact CD2-CD1 4.48Å; L687-L798 HydrophobicContact CD2-CD2 3.96Å; L687-L798 HydrophobicContact CD2-CG 4.18Å; F729-L798 HydrophobicContact CE1-CD2 4.49Å; F730-L798 HydrophobicContact CE1-CD2 4.06Å; F730-L798 HydrophobicContact CZ-CD2 3.96Å; V740-L798 HydrophobicContact CG1-CD1 3.85Å; V740-L798 HydrophobicContact CG2-CD1 3.87Å; V740-L798 HydrophobicContact CG2-CD2 4.47Å; Y743-L798 HydrophobicContact CD1-CD2 3.91Å; Y743-L798 HydrophobicContact CE1-CD2 4.09Å; R794-L798 PolarHBondContact O-N 3.46Å; I795-L798 PolarHBondContact O-N 3.38Å
799M95.8Very high95.9Very high12 Ų1226.9 Ų26.96%0.05914%0.139CC..  trans-13974.6-170.9-58.4171.5-66.900111.1L687 P688 I691 F730 Y743 I795 E801 V802L687-M799 HydrophobicContact CB-CG 4.19Å; L687-M799 HydrophobicContact CB-SD 3.84Å; L687-M799 HydrophobicContact CD1-CG 3.99Å; L687-M799 HydrophobicContact CD2-SD 4.22Å; L687-M799 HydrophobicContact CG-CG 4.47Å; L687-M799 HydrophobicContact CG-SD 4.44Å; P688-M799 HydrophobicContact CB-SD 4.23Å; P688-M799 HydrophobicContact CG-SD 4.49Å; I691-M799 HydrophobicContact CD1-CE 3.66Å; F730-M799 HydrophobicContact CE2-CE 3.86Å; F730-M799 HydrophobicContact CZ-CE 3.55Å; Y743-M799 HydrophobicContact CE1-CE 4.39Å; I795-M799 HydrophobicContact CG2-CE 4.17Å; I795-M799 CarbonylContact O-C 3.58Å; I795-M799 WeakPolarHBondContact O-CA 3.31Å; I795-M799 PolarHBondContact O-N 2.89Å; M799-E801 PolarHBondContact O-N 2.67Å; M799-V802 HydrophobicContact CB-CB 3.89Å; M799-V802 HydrophobicContact CB-CG1 4.33Å; M799-V802 WeakPolarHBondContact O-CB 3.19Å; M799-V802 WeakPolarHBondContact O-CG1 3.35Å; M799-V802 PolarHBondContact O-N 2.64Å
800P94.4Very high95.9Very high30 Ų3023.6 Ų23.620%0.19512%0.115CC..THydrogen-bonded Turntrans-67.9-20.4-176.524.8-32.8000114.1R668 Q796 Q907R668-P800 VanDerWaalsContact NH1-CD 3.32Å; Q796-P800 WeakPolarHBondContact O-CA 3.47Å; Q796-P800 WeakPolarHBondContact O-CB 3.41Å; Q796-P800 WeakPolarHBondContact O-CD 3.46Å; P800-Q907 PolarHBondContact O-NE2 2.86Å
801E94.3Very high95.8Very high154 Ų15420.9 Ų20.972%0.7210%0.104SC*.THydrogen-bonded Turntrans-94.42.4179.9-65.1176.4-161.200113.2M799 Q907M799-E801 PolarHBondContact O-N 2.67Å; E801-Q907 PolarHBondContact O-NE2 3.39Å
802V97.1Very high95.5Very high4 Ų421.3 Ų21.32%0.02411%0.106CC..  trans-62.4144.2-177.775.40000111.8I691 I795 M799 L804 F903 Q907I691-V802 HydrophobicContact CD1-CG2 4.17Å; I691-V802 HydrophobicContact CG1-CG2 3.96Å; I795-V802 HydrophobicContact CG2-CG1 3.61Å; M799-V802 HydrophobicContact CB-CB 3.89Å; M799-V802 HydrophobicContact CB-CG1 4.33Å; M799-V802 WeakPolarHBondContact O-CB 3.19Å; M799-V802 WeakPolarHBondContact O-CG1 3.35Å; M799-V802 PolarHBondContact O-N 2.64Å; V802-L804 HydrophobicContact CG1-CD2 3.92Å; V802-L804 HydrophobicContact CG1-CG 4.45Å; V802-F903 HydrophobicContact CG1-CE1 3.77Å; V802-F903 HydrophobicContact CG1-CZ 4.13Å; V802-Q907 PolarHBondContact O-NE2 3.25Å
803K97.6Very high95.2Very high47 Ų4723.9 Ų23.920%0.20412%0.118CC..EExtended strand (participates in β ladder)trans-91.2142.8170.7-69.2177.1-176.4169.30111.1S689 F690 I691 F930 L932S689-K803 PolarHBondContact O-N 2.92Å; S689-K803 VanDerWaalsContact O-N 3.08Å; F690-K803 CarbonylContact C-O 3.42Å; F690-K803 WeakPolarHBondContact CA-O 3.47Å; F690-K803 HydrophobicContact CB-CB 3.81Å; F690-K803 VanDerWaalsContact CB-O 3.32Å; F690-K803 WeakPolarHBondContact CB-O 3.14Å; I691-K803 PolarHBondContact N-O 3.46Å; K803-F930 HydrophobicContact CB-CE1 3.64Å; K803-F930 HydrophobicContact CB-CZ 3.82Å; K803-F930 HydrophobicContact CD-CD1 4.39Å; K803-F930 HydrophobicContact CD-CE1 4.1Å; K803-F930 HydrophobicContact CD-CE2 4.47Å; K803-F930 HydrophobicContact CD-CZ 4.14Å; K803-F930 VanDerWaalsContact CD-O 3.31Å; K803-F930 WeakPolarHBondContact CD-O 3.28Å; K803-F930 WeakPolarHBondContact CE-O 3.26Å; K803-F930 HydrophobicContact CG-CE1 4.21Å; K803-F930 HydrophobicContact CG-CZ 4.05Å; K803-F930 PolarHBondContact NZ-O 3Å; K803-L932 VanDerWaalsContact NZ-CG 3.32Å
804L98.1Very high95.2Very high0 Ų023.2 Ų23.20%011%0.113CC..EExtended strand (participates in β ladder)trans-118.8130.2-175.8-57.1175.9000110.1I691 I693 V802 W899 F903 Q907 L908 L909I691-L804 HydrophobicContact CB-CD2 4.27Å; I691-L804 WeakPolarHBondContact O-CA 3.43Å; I693-L804 HydrophobicContact CD1-CB 4.37Å; I693-L804 HydrophobicContact CG2-CD2 3.91Å; V802-L804 HydrophobicContact CG1-CD2 3.92Å; V802-L804 HydrophobicContact CG1-CG 4.45Å; L804-W899 HydrophobicContact CD1-CD2 4.37Å; L804-W899 HydrophobicContact CD1-CE3 3.43Å; L804-W899 VanDerWaalsContact CD1-CE3 3.43Å; L804-W899 HydrophobicContact CD1-CZ3 3.62Å; L804-W899 HydrophobicContact CD2-CZ3 4.25Å; L804-F903 HydrophobicContact CD1-CB 4.33Å; L804-F903 HydrophobicContact CD1-CD1 4.3Å; L804-F903 HydrophobicContact CD1-CD2 3.66Å; L804-F903 HydrophobicContact CD1-CE2 3.97Å; L804-F903 HydrophobicContact CD1-CG 3.83Å; L804-F903 HydrophobicContact CD1-CZ 4.41Å; L804-Q907 PolarHBondContact N-O 3.42Å; L804-L908 HydrophobicContact CB-CG 4.34Å; L804-L908 HydrophobicContact CD1-CG 4.37Å; L804-L908 CarbonylContact O-C 3.22Å; L804-L908 WeakPolarHBondContact O-CA 3.47Å; L804-L909 PolarHBondContact O-N 3.09Å
805I97.7Very high95.1Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-114.4129.5177.5-57.8174.6000109.4F690 I691 I692 I693 L703 L909 L911 V927 F930 I931F690-I805 HydrophobicContact CD2-CD1 3.84Å; F690-I805 HydrophobicContact CE2-CD1 4.14Å; I691-I805 PolarHBondContact O-N 2.95Å; I692-I805 HydrophobicContact CG1-CB 4.19Å; I692-I805 HydrophobicContact CG1-CD1 4.39Å; I693-I805 PolarHBondContact N-O 3.24Å; L703-I805 HydrophobicContact CD2-CG2 3.87Å; I805-L909 HydrophobicContact CG1-CB 4.42Å; I805-L909 HydrophobicContact CG1-CD2 4.43Å; I805-L911 HydrophobicContact CG2-CD1 3.64Å; I805-L911 HydrophobicContact CG2-CG 4.26Å; I805-V927 HydrophobicContact CD1-CG1 3.87Å; I805-F930 HydrophobicContact CD1-CD1 4.46Å; I805-F930 HydrophobicContact CG1-CD1 4.16Å; I805-F930 HydrophobicContact CG1-CE1 3.96Å; I805-I931 HydrophobicContact CD1-CG2 4.06Å
806V96.6Very high94.9Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans-124.3132.1178.9-174.30000109.1I693 G694 F786 L808 L909 L910 L911I693-V806 HydrophobicContact CD1-CG2 3.64Å; I693-V806 HydrophobicContact CG1-CG2 3.7Å; G694-V806 WeakPolarHBondContact O-CA 3.5Å; G694-V806 WeakPolarHBondContact O-CG1 3.48Å; F786-V806 HydrophobicContact CD2-CG1 3.89Å; F786-V806 HydrophobicContact CD2-CG2 4.41Å; F786-V806 HydrophobicContact CE2-CG1 3.6Å; F786-V806 HydrophobicContact CE2-CG2 4.44Å; V806-L808 HydrophobicContact CG1-CD2 3.53Å; V806-L808 HydrophobicContact CG1-CG 4.06Å; V806-L909 PolarHBondContact N-O 3.26Å; V806-L910 HydrophobicContact CB-CD2 3.62Å; V806-L910 HydrophobicContact CG1-CD2 4.15Å; V806-L910 HydrophobicContact CG2-CD2 3.91Å; V806-L911 PolarHBondContact O-N 3.48Å
807L95Very high94.7Very high0 Ų020.8 Ų20.80%010%0.101CC..EExtended strand (participates in β ladder)trans-108.9116.8171.3-5788000108.9I692 G694 P695 T698 L703 L911 A913 F916I692-L807 HydrophobicContact CG2-CD1 3.91Å; G694-L807 PolarHBondContact O-N 3.35Å; P695-L807 WeakPolarHBondContact CD-O 3.39Å; T698-L807 WeakPolarHBondContact CB-O 3.48Å; T698-L807 WeakPolarHBondContact CG2-O 3.34Å; T698-L807 PolarHBondContact OG1-O 2.76Å; L703-L807 HydrophobicContact CB-CD2 4.39Å; L703-L807 HydrophobicContact CD2-CD1 3.78Å; L703-L807 HydrophobicContact CD2-CD2 4.26Å; L703-L807 HydrophobicContact CD2-CG 4.36Å; L807-L911 WeakPolarHBondContact CA-O 3.06Å; L807-L911 HydrophobicContact CG-CB 4.17Å; L807-L911 HydrophobicContact CG-CD1 4.25Å; L807-A913 HydrophobicContact CB-CB 4.36Å; L807-F916 HydrophobicContact CD2-CD1 3.89Å; L807-F916 HydrophobicContact CD2-CE1 4.24Å; L807-F916 HydrophobicContact CD2-CG 4.3Å
808L94.6Very high94.7Very high0 Ų021 Ų210%010%0.098CC..EExtended strand (participates in β ladder)trans-101.6141.1178.7-58.6-174.4000110.9P695 F786 V806 Y892 L896 L910 L911 A913 W1009 W1023P695-L808 HydrophobicContact CG-CD2 4.38Å; F786-L808 HydrophobicContact CE2-CD2 4.49Å; F786-L808 HydrophobicContact CZ-CD2 4.28Å; V806-L808 HydrophobicContact CG1-CD2 3.53Å; V806-L808 HydrophobicContact CG1-CG 4.06Å; L808-Y892 HydrophobicContact CB-CE2 4.37Å; L808-Y892 HydrophobicContact CD1-CD2 4.26Å; L808-Y892 HydrophobicContact CD1-CG 4.39Å; L808-Y892 HydrophobicContact CD2-CD1 3.77Å; L808-Y892 HydrophobicContact CD2-CD2 4.07Å; L808-Y892 HydrophobicContact CD2-CE1 4.01Å; L808-Y892 HydrophobicContact CD2-CE2 4.28Å; L808-Y892 HydrophobicContact CD2-CG 3.8Å; L808-L896 HydrophobicContact CD1-CD1 4.36Å; L808-L910 HydrophobicContact CD1-CD1 4.49Å; L808-L911 PolarHBondContact N-O 2.8Å; L808-A913 WeakPolarHBondContact O-CB 3.42Å; L808-A913 PolarHBondContact O-N 3.48Å; L808-W1009 HydrophobicContact CD1-CZ3 4.16Å; L808-W1023 HydrophobicContact CB-CH2 3.88Å; L808-W1023 HydrophobicContact CB-CZ2 4.13Å; L808-W1023 HydrophobicContact CD1-CH2 4.49Å
809R92.9Very high94.7Very high53 Ų5321.7 Ų21.720%0.210%0.101CC..  trans-126.3163.2177.5-173.5171.1-179.4-174.7-1.1108.3T698 P811 E813 Y892 A913 D914T698-R809 HydrophobicContact CG2-CB 3.92Å; R809-P811 VanDerWaalsContact O-N 3.11Å; R809-E813 HydrophobicContact CG-CB 4.4Å; R809-E813 IonicContact CZ-OE2 2.67Å; R809-E813 VanDerWaalsContact CZ-OE2 3.32Å; R809-E813 IonicContact NE-OE2 3.64Å; R809-E813 PolarHBondContact NE-OE2 3.48Å; R809-E813 IonicContact NH2-OE2 2.64Å; R809-E813 PolarHBondContact NH2-OE2 2.79Å; R809-Y892 WeakPolarHBondContact O-CE2 3.33Å; R809-Y892 PolarHBondContact O-OH 2.81Å; R809-A913 HydrophobicContact CB-CB 3.87Å; R809-A913 HydrophobicContact CG-CB 4.45Å; R809-D914 IonicContact NE-OD1 3.55Å
810N92.2Very high94.7Very high27 Ų2722.7 Ų22.714%0.14411%0.105CC..  trans-46.9123.2164.9-178.1-35.6000110.1I812 E813 R814 W1023N810-I812 PolarHBondContact O-N 3.08Å; N810-I812 VanDerWaalsContact OD1-CB 3.29Å; N810-I812 WeakPolarHBondContact OD1-CB 3.37Å; N810-I812 PolarHBondContact OD1-N 3.32Å; N810-E813 HydrophobicContact CB-CB 4.17Å; N810-E813 HydrophobicContact CB-CG 3.97Å; N810-E813 PolarHBondContact O-N 2.85Å; N810-E813 VanDerWaalsContact O-N 3.14Å; N810-R814 PolarHBondContact O-N 3.23Å; N810-W1023 HydrophobicContact CB-CB 4.12Å; N810-W1023 HydrophobicContact CB-CD2 4.31Å; N810-W1023 HydrophobicContact CB-CG 3.8Å
811P94Very high94.6Very high0 Ų023.4 Ų23.40%011%0.106CC..Hα-helixtrans-62.2-29.3-174.124.3-34.4000112.9R809 R814 A815 Y892 F992R809-P811 VanDerWaalsContact O-N 3.11Å; P811-R814 PolarHBondContact O-N 3.17Å; P811-A815 WeakPolarHBondContact O-CB 3.3Å; P811-A815 PolarHBondContact O-N 3.42Å; P811-Y892 HydrophobicContact CB-CE2 4.25Å; P811-F992 HydrophobicContact CB-CD1 3.86Å; P811-F992 HydrophobicContact CB-CD2 4.05Å; P811-F992 HydrophobicContact CB-CE1 3.86Å; P811-F992 HydrophobicContact CB-CE2 4.04Å; P811-F992 HydrophobicContact CB-CG 3.97Å; P811-F992 HydrophobicContact CB-CZ 3.94Å; P811-F992 HydrophobicContact CG-CB 4.05Å; P811-F992 HydrophobicContact CG-CD1 4.05Å; P811-F992 HydrophobicContact CG-CD2 3.97Å; P811-F992 HydrophobicContact CG-CE2 4.44Å; P811-F992 HydrophobicContact CG-CG 3.75Å
812I92Very high94.6Very high9 Ų919.7 Ų19.75%0.0469%0.085CC..Hα-helixtrans-67.7-48.7175.6-55.6177000110.2N810 R814 A815 Y816 L978 M988 E989 F992N810-I812 PolarHBondContact O-N 3.08Å; N810-I812 VanDerWaalsContact OD1-CB 3.29Å; N810-I812 WeakPolarHBondContact OD1-CB 3.37Å; N810-I812 PolarHBondContact OD1-N 3.32Å; I812-R814 VanDerWaalsContact C-N 3.3Å; I812-R814 PolarHBondContact O-N 3.05Å; I812-A815 WeakPolarHBondContact O-CB 3.24Å; I812-A815 PolarHBondContact O-N 2.74Å; I812-Y816 WeakPolarHBondContact O-CB 3.45Å; I812-Y816 PolarHBondContact O-N 3.08Å; I812-L978 HydrophobicContact CG2-CD2 3.68Å; I812-M988 HydrophobicContact CB-CE 4.3Å; I812-M988 HydrophobicContact CD1-CB 3.76Å; I812-M988 HydrophobicContact CG1-CB 3.87Å; I812-M988 HydrophobicContact CG1-CE 4.29Å; I812-M988 HydrophobicContact CG2-CB 4.3Å; I812-M988 HydrophobicContact CG2-CE 3.91Å; I812-M988 HydrophobicContact CG2-SD 3.85Å; I812-E989 HydrophobicContact CD1-CB 4.36Å; I812-E989 HydrophobicContact CD1-CG 3.54Å; I812-F992 HydrophobicContact CG1-CD2 3.81Å; I812-F992 HydrophobicContact CG1-CE2 4.13Å
813E91.7Very high94.5Very high54 Ų5422.2 Ų22.225%0.25210%0.098SC..Hα-helixtrans-65.8-35.2177.5-64.1-168.6-179.100111.8R809 N810 S817R809-E813 HydrophobicContact CG-CB 4.4Å; R809-E813 IonicContact CZ-OE2 2.67Å; R809-E813 VanDerWaalsContact CZ-OE2 3.32Å; R809-E813 IonicContact NE-OE2 3.64Å; R809-E813 PolarHBondContact NE-OE2 3.48Å; R809-E813 IonicContact NH2-OE2 2.64Å; R809-E813 PolarHBondContact NH2-OE2 2.79Å; N810-E813 HydrophobicContact CB-CB 4.17Å; N810-E813 HydrophobicContact CB-CG 3.97Å; N810-E813 PolarHBondContact O-N 2.85Å; N810-E813 VanDerWaalsContact O-N 3.14Å; E813-S817 VanDerWaalsContact O-CB 3.24Å; E813-S817 WeakPolarHBondContact O-CB 3.07Å; E813-S817 PolarHBondContact O-N 3.15Å
814R94Very high94.2Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-61.3-50.3172.3-174.6-151.4145.7-96.4-14.9110.6Q696 K697 T698 N810 P811 I812 Y816 S817 W818 R885 C886 P889Q696-R814 PolarHBondContact O-NE 3.46Å; K697-R814 HydrophobicContact CB-CG 4.04Å; T698-R814 HydrophobicContact CG2-CG 4.45Å; N810-R814 PolarHBondContact O-N 3.23Å; P811-R814 PolarHBondContact O-N 3.17Å; I812-R814 VanDerWaalsContact C-N 3.3Å; I812-R814 PolarHBondContact O-N 3.05Å; R814-Y816 PolarHBondContact O-N 3.03Å; R814-S817 WeakPolarHBondContact O-CB 3.49Å; R814-S817 PolarHBondContact O-N 3.35Å; R814-W818 PolarHBondContact O-N 2.85Å; R814-R885 PolarHBondContact NH2-O 3.3Å; R814-C886 PolarHBondContact NH1-O 3.1Å; R814-P889 VanDerWaalsContact CZ-CB 3.48Å; R814-P889 VanDerWaalsContact NH2-CB 3.34Å; R814-P889 VanDerWaalsContact NH2-CG 3.27Å
815A94.4Very high93.8Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-57.9-48.2179.100000111.2P811 I812 S817 W818 Y819 F835 C886 M988P811-A815 WeakPolarHBondContact O-CB 3.3Å; P811-A815 PolarHBondContact O-N 3.42Å; I812-A815 WeakPolarHBondContact O-CB 3.24Å; I812-A815 PolarHBondContact O-N 2.74Å; A815-S817 VanDerWaalsContact C-N 3.33Å; A815-S817 PolarHBondContact O-N 3.24Å; A815-W818 WeakPolarHBondContact O-CB 3.44Å; A815-W818 PolarHBondContact O-N 3.37Å; A815-W818 VanDerWaalsContact O-N 3.11Å; A815-Y819 PolarHBondContact O-N 2.86Å; A815-F835 HydrophobicContact CB-CE2 4.43Å; A815-F835 HydrophobicContact CB-CZ 4.28Å; A815-C886 HydrophobicContact CB-CB 4.08Å; A815-C886 VanDerWaalsContact CB-O 3.25Å; A815-C886 WeakPolarHBondContact CB-O 3.4Å; A815-M988 HydrophobicContact CB-CE 4.15Å
816Y93.7Very high93.5Very high22 Ų2236.5 Ų36.59%0.08616%0.164CC..Hα-helixtrans-61.4-41.7176.3-175.4-123.9000112.2I812 R814 W818 Y819 Q820 F835 Y975 E976 L978I812-Y816 WeakPolarHBondContact O-CB 3.45Å; I812-Y816 PolarHBondContact O-N 3.08Å; R814-Y816 PolarHBondContact O-N 3.03Å; Y816-W818 VanDerWaalsContact C-N 3.26Å; Y816-W818 PolarHBondContact O-N 3.29Å; Y816-Y819 HydrophobicContact CD2-CD1 4.47Å; Y816-Y819 HydrophobicContact CE2-CD1 4.42Å; Y816-Y819 WeakPolarHBondContact O-CB 3.32Å; Y816-Y819 PolarHBondContact O-N 3.23Å; Y816-Q820 HydrophobicContact CD1-CG 4.49Å; Y816-Q820 HydrophobicContact CD2-CG 4.31Å; Y816-Q820 HydrophobicContact CE1-CG 4.2Å; Y816-Q820 HydrophobicContact CE2-CG 4Å; Y816-Q820 VanDerWaalsContact CZ-NE2 3.29Å; Y816-Q820 WeakPolarHBondContact O-CB 3.4Å; Y816-Q820 VanDerWaalsContact O-CG 3.31Å; Y816-Q820 WeakPolarHBondContact O-CG 3.36Å; Y816-Q820 PolarHBondContact O-N 3.48Å; Y816-Q820 PolarHBondContact OH-NE2 3.31Å; Y816-F835 HydrophobicContact CD2-CB 4.07Å; Y816-F835 AromaticContact CD2-CD1 3.54Å; Y816-F835 HydrophobicContact CD2-CD1 3.54Å; Y816-F835 AromaticContact CD2-CD2 3.96Å; Y816-F835 HydrophobicContact CD2-CD2 3.96Å; Y816-F835 AromaticContact CD2-CE1 3.86Å; Y816-F835 HydrophobicContact CD2-CE1 3.86Å; Y816-F835 HydrophobicContact CD2-CE2 4.25Å; Y816-F835 AromaticContact CD2-CG 3.58Å; Y816-F835 HydrophobicContact CD2-CG 3.58Å; Y816-F835 HydrophobicContact CD2-CZ 4.2Å; Y816-F835 HydrophobicContact CE2-CB 4.1Å; Y816-F835 HydrophobicContact CE2-CD1 4.15Å; Y816-F835 HydrophobicContact CE2-CG 4.1Å; Y816-F835 HydrophobicContact CG-CD1 4.43Å; Y816-F835 HydrophobicContact CG-CE1 4.34Å; Y816-Y975 HydrophobicContact CD1-CD2 4.22Å; Y816-Y975 AromaticContact CD1-CE2 3.81Å; Y816-Y975 HydrophobicContact CD1-CE2 3.81Å; Y816-Y975 AromaticContact CE1-CD2 3.61Å; Y816-Y975 HydrophobicContact CE1-CD2 3.61Å; Y816-Y975 AromaticContact CE1-CE2 3.67Å; Y816-Y975 HydrophobicContact CE1-CE2 3.67Å; Y816-E976 WeakPolarHBondContact CE1-O 3.13Å; Y816-E976 PolarHBondContact OH-O 3.48Å; Y816-L978 HydrophobicContact CD1-CB 4Å; Y816-L978 HydrophobicContact CD2-CD1 4.17Å; Y816-L978 HydrophobicContact CE1-CB 4.05Å; Y816-L978 HydrophobicContact CE2-CD1 4.28Å; Y816-L978 HydrophobicContact CG-CB 4.38Å; Y816-L978 HydrophobicContact CG-CD1 4.42Å
817S93.1Very high93.4Very high5 Ų538.6 Ų38.64%0.03518%0.176CC..Hα-helixtrans-64-31.1175.5-160.80000113K697 E813 R814 A815 H821 Y975K697-S817 WeakPolarHBondContact CE-O 3.35Å; K697-S817 WeakPolarHBondContact CE-OG 3.25Å; K697-S817 PolarHBondContact NZ-O 3.05Å; E813-S817 VanDerWaalsContact O-CB 3.24Å; E813-S817 WeakPolarHBondContact O-CB 3.07Å; E813-S817 PolarHBondContact O-N 3.15Å; R814-S817 WeakPolarHBondContact O-CB 3.49Å; R814-S817 PolarHBondContact O-N 3.35Å; A815-S817 VanDerWaalsContact C-N 3.33Å; A815-S817 PolarHBondContact O-N 3.24Å; S817-H821 WeakPolarHBondContact O-CB 3.44Å; S817-H821 PolarHBondContact O-N 3.06Å; S817-H821 VanDerWaalsContact O-N 3.08Å; S817-Y975 WeakPolarHBondContact CB-OH 3.45Å; S817-Y975 PolarHBondContact OG-OH 2.78Å
818W94.5Very high93.2Very high24 Ų2442.8 Ų42.89%0.09120%0.197CC..Hα-helixtrans-71.1-46.7173.1-178.6-96.2000111.7Q696 K697 R814 A815 Y816 Q820 H821 R822 R885Q696-W818 HydrophobicContact CB-CE3 4.39Å; Q696-W818 HydrophobicContact CB-CZ3 4.17Å; Q696-W818 HydrophobicContact CG-CZ3 4.41Å; K697-W818 HydrophobicContact CD-CE3 4.13Å; K697-W818 HydrophobicContact CG-CB 4.14Å; K697-W818 HydrophobicContact CG-CE3 3.88Å; R814-W818 PolarHBondContact O-N 2.85Å; A815-W818 WeakPolarHBondContact O-CB 3.44Å; A815-W818 PolarHBondContact O-N 3.37Å; A815-W818 VanDerWaalsContact O-N 3.11Å; Y816-W818 VanDerWaalsContact C-N 3.26Å; Y816-W818 PolarHBondContact O-N 3.29Å; W818-Q820 PolarHBondContact O-N 3.04Å; W818-H821 WeakPolarHBondContact O-CA 3.47Å; W818-H821 VanDerWaalsContact O-CB 3.26Å; W818-H821 WeakPolarHBondContact O-CB 3.36Å; W818-H821 PolarHBondContact O-N 3.07Å; W818-H821 VanDerWaalsContact O-N 3.08Å; W818-R822 HydrophobicContact CZ2-CG 4.48Å; W818-R822 PolarHBondContact O-N 3.02Å; W818-R885 HydrophobicContact CZ2-CB 4.02Å; W818-R885 HydrophobicContact CZ2-CG 4.3Å
819Y95.4Very high93.2Very high15 Ų1543.1 Ų43.16%0.05920%0.2CC..Hα-helixtrans-53.6-52.3173.7171-93.3000111.4A815 Y816 H821 R822 L823 P830 L833 S834 F835 L838 L882A815-Y819 PolarHBondContact O-N 2.86Å; Y816-Y819 HydrophobicContact CD2-CD1 4.47Å; Y816-Y819 HydrophobicContact CE2-CD1 4.42Å; Y816-Y819 WeakPolarHBondContact O-CB 3.32Å; Y816-Y819 PolarHBondContact O-N 3.23Å; Y819-H821 PolarHBondContact O-N 2.83Å; Y819-R822 PolarHBondContact O-N 2.65Å; Y819-L823 HydrophobicContact CE1-CD2 4.18Å; Y819-L823 PolarHBondContact O-N 3.11Å; Y819-P830 HydrophobicContact CD2-CB 3.95Å; Y819-P830 HydrophobicContact CE2-CB 3.56Å; Y819-P830 PolarHBondContact OH-O 3.24Å; Y819-L833 WeakPolarHBondContact CE2-O 3.45Å; Y819-L833 PolarHBondContact OH-O 3.33Å; Y819-S834 WeakPolarHBondContact OH-CA 3.47Å; Y819-F835 HydrophobicContact CD1-CB 3.81Å; Y819-F835 HydrophobicContact CD1-CD2 4.08Å; Y819-F835 HydrophobicContact CD1-CG 4.32Å; Y819-F835 HydrophobicContact CD2-CB 4.32Å; Y819-F835 HydrophobicContact CD2-CD2 4.03Å; Y819-F835 HydrophobicContact CE1-CB 3.81Å; Y819-F835 HydrophobicContact CE2-CB 4.3Å; Y819-F835 HydrophobicContact CG-CB 4.08Å; Y819-F835 AromaticContact CG-CD2 3.63Å; Y819-F835 HydrophobicContact CG-CD2 3.63Å; Y819-F835 HydrophobicContact CG-CG 4.29Å; Y819-F835 PolarHBondContact OH-N 3.18Å; Y819-L838 HydrophobicContact CD2-CD2 3.73Å; Y819-L838 HydrophobicContact CE2-CD2 4.27Å; Y819-L882 HydrophobicContact CD2-CD2 4.26Å
820Q94.8Very high93.3Very high33 Ų3340.7 Ų40.715%0.15419%0.191CC..Hα-helixtrans-61.3-32.1178.1-70-68.2-3.400112.5Y816 W818 A824 Y975Y816-Q820 HydrophobicContact CD1-CG 4.49Å; Y816-Q820 HydrophobicContact CD2-CG 4.31Å; Y816-Q820 HydrophobicContact CE1-CG 4.2Å; Y816-Q820 HydrophobicContact CE2-CG 4Å; Y816-Q820 VanDerWaalsContact CZ-NE2 3.29Å; Y816-Q820 WeakPolarHBondContact O-CB 3.4Å; Y816-Q820 VanDerWaalsContact O-CG 3.31Å; Y816-Q820 WeakPolarHBondContact O-CG 3.36Å; Y816-Q820 PolarHBondContact O-N 3.48Å; Y816-Q820 PolarHBondContact OH-NE2 3.31Å; W818-Q820 PolarHBondContact O-N 3.04Å; Q820-A824 WeakPolarHBondContact O-CB 3.21Å; Q820-A824 PolarHBondContact O-N 3.19Å; Q820-Y975 HydrophobicContact CB-CD1 3.99Å; Q820-Y975 HydrophobicContact CB-CD2 4.23Å; Q820-Y975 HydrophobicContact CB-CE1 4.25Å; Q820-Y975 HydrophobicContact CB-CE2 4.42Å; Q820-Y975 HydrophobicContact CB-CG 4Å; Q820-Y975 HydrophobicContact CG-CD1 4.24Å; Q820-Y975 HydrophobicContact CG-CD2 3.6Å; Q820-Y975 HydrophobicContact CG-CE2 4Å; Q820-Y975 HydrophobicContact CG-CG 3.72Å
821H93.1Very high93.3Very high44 Ų4442.5 Ų42.520%0.20420%0.198CC..Hα-helixtrans-64.8-46173.5180-94.7000112K697 S817 W818 Y819 A824 H825K697-H821 HydrophobicContact CD-CB 4.35Å; S817-H821 WeakPolarHBondContact O-CB 3.44Å; S817-H821 PolarHBondContact O-N 3.06Å; S817-H821 VanDerWaalsContact O-N 3.08Å; W818-H821 WeakPolarHBondContact O-CA 3.47Å; W818-H821 VanDerWaalsContact O-CB 3.26Å; W818-H821 WeakPolarHBondContact O-CB 3.36Å; W818-H821 PolarHBondContact O-N 3.07Å; W818-H821 VanDerWaalsContact O-N 3.08Å; Y819-H821 PolarHBondContact O-N 2.83Å; H821-A824 PolarHBondContact O-N 3.4Å; H821-H825 AromaticContact CD2-CE1 3.79Å; H821-H825 AromaticContact CE1-CE1 3.31Å; H821-H825 PolarHBondContact CE1-CE1 3.01Å; H821-H825 AromaticContact CE1-ND1 3.71Å; H821-H825 AromaticContact ND1-CE1 3.91Å; H821-H825 AromaticContact ND1-ND1 3.89Å; H821-H825 AromaticContact NE2-CE1 3.23Å; H821-H825 PolarHBondContact NE2-CE1 3.06Å; H821-H825 AromaticContact NE2-ND1 3.94Å; H821-H825 PolarHBondContact O-N 3.04Å; H821-H825 PolarHBondContact O-ND1 3.08Å
822R94.4Very high93.3Very high76 Ų7642.7 Ų42.729%0.28720%0.2SC..Hα-helixtrans-70.1-37.8178.5-60.7-51.1-60.5179.95111.7W818 Y819 A824 H825 R826 D827 P830 L882W818-R822 HydrophobicContact CZ2-CG 4.48Å; W818-R822 PolarHBondContact O-N 3.02Å; Y819-R822 PolarHBondContact O-N 2.65Å; R822-A824 VanDerWaalsContact C-N 3.33Å; R822-A824 PolarHBondContact O-N 3.07Å; R822-H825 PolarHBondContact O-N 3.42Å; R822-R826 PolarHBondContact O-N 3.28Å; R822-D827 HydrophobicContact CB-CB 4.42Å; R822-D827 IonicContact CZ-OD1 3.45Å; R822-D827 IonicContact CZ-OD2 2.87Å; R822-D827 IonicContact NE-OD1 2.75Å; R822-D827 IonicContact NE-OD2 3.4Å; R822-D827 PolarHBondContact NE-OD2 2.58Å; R822-D827 IonicContact NH2-OD1 3.86Å; R822-D827 PolarHBondContact NH2-OD1 3.2Å; R822-D827 IonicContact NH2-OD2 2.89Å; R822-D827 PolarHBondContact NH2-OD2 3.24Å; R822-D827 PolarHBondContact O-N 3.39Å; R822-P830 HydrophobicContact CB-CG 3.99Å; R822-L882 HydrophobicContact CB-CD1 3.94Å; R822-L882 HydrophobicContact CG-CD1 3.69Å
823L94Very high93.3Very high57 Ų5742.4 Ų42.430%0.29820%0.198SC..Hα-helixtrans-57.2-45.7172.7-175.259000111.7Y819 H825 R826 P830 Q831Y819-L823 HydrophobicContact CE1-CD2 4.18Å; Y819-L823 PolarHBondContact O-N 3.11Å; L823-H825 PolarHBondContact O-N 3Å; L823-R826 PolarHBondContact O-N 3.23Å; L823-P830 HydrophobicContact CB-CB 4.01Å; L823-P830 HydrophobicContact CB-CG 4.29Å; L823-P830 HydrophobicContact CD1-CB 4.23Å; L823-Q831 HydrophobicContact CD1-CG 3.83Å
824A91.7Very high93.3Very high47 Ų4741.9 Ų41.939%0.38820%0.2SC..Hα-helixtrans-66-19177.300000114.2Q820 H821 R822 R826Q820-A824 WeakPolarHBondContact O-CB 3.21Å; Q820-A824 PolarHBondContact O-N 3.19Å; H821-A824 PolarHBondContact O-N 3.4Å; R822-A824 VanDerWaalsContact C-N 3.33Å; R822-A824 PolarHBondContact O-N 3.07Å; A824-R826 VanDerWaalsContact C-N 3.29Å
825H91.1Very high93.2Very high89 Ų8942.3 Ų42.341%0.41220%0.202SC..THydrogen-bonded Turntrans-88.23.7172-72.479.8000112.8H821 R822 L823 D827H821-H825 AromaticContact CD2-CE1 3.79Å; H821-H825 AromaticContact CE1-CE1 3.31Å; H821-H825 PolarHBondContact CE1-CE1 3.01Å; H821-H825 AromaticContact CE1-ND1 3.71Å; H821-H825 AromaticContact ND1-CE1 3.91Å; H821-H825 AromaticContact ND1-ND1 3.89Å; H821-H825 AromaticContact NE2-CE1 3.23Å; H821-H825 PolarHBondContact NE2-CE1 3.06Å; H821-H825 AromaticContact NE2-ND1 3.94Å; H821-H825 PolarHBondContact O-N 3.04Å; H821-H825 PolarHBondContact O-ND1 3.08Å; R822-H825 PolarHBondContact O-N 3.42Å; L823-H825 PolarHBondContact O-N 3Å; H825-D827 VanDerWaalsContact C-N 3.26Å; H825-D827 PolarHBondContact O-N 2.75Å
826R91.1Very high92.9Very high211 Ų21144 Ų4480%0.79621%0.213SC*.THydrogen-bonded Turntrans59.634.3-178.6-53.7-178.4178.4-175.2-2.3113.3R822 L823 A824 Q831R822-R826 PolarHBondContact O-N 3.28Å; L823-R826 PolarHBondContact O-N 3.23Å; A824-R826 VanDerWaalsContact C-N 3.29Å; R826-Q831 PolarHBondContact O-NE2 3.24Å
827D93.2Very high92.7Very high45 Ų4545.4 Ų45.424%0.24122%0.221CC..  trans-62.2145168.1-78.617.2000110.6R822 H825 P830 Q831R822-D827 HydrophobicContact CB-CB 4.42Å; R822-D827 IonicContact CZ-OD1 3.45Å; R822-D827 IonicContact CZ-OD2 2.87Å; R822-D827 IonicContact NE-OD1 2.75Å; R822-D827 IonicContact NE-OD2 3.4Å; R822-D827 PolarHBondContact NE-OD2 2.58Å; R822-D827 IonicContact NH2-OD1 3.86Å; R822-D827 PolarHBondContact NH2-OD1 3.2Å; R822-D827 IonicContact NH2-OD2 2.89Å; R822-D827 PolarHBondContact NH2-OD2 3.24Å; R822-D827 PolarHBondContact O-N 3.39Å; H825-D827 VanDerWaalsContact C-N 3.26Å; H825-D827 PolarHBondContact O-N 2.75Å; D827-P830 VanDerWaalsContact CB-CD 3.43Å; D827-P830 HydrophobicContact CB-CG 3.63Å; D827-P830 VanDerWaalsContact O-CD 3.29Å; D827-P830 WeakPolarHBondContact O-CD 3.38Å; D827-P830 WeakPolarHBondContact O-CG 3.24Å; D827-Q831 VanDerWaalsContact C-NE2 3.35Å; D827-Q831 WeakPolarHBondContact O-CG 3.47Å; D827-Q831 PolarHBondContact O-NE2 2.94Å
828I92.5Very high92.7Very high88 Ų8845.2 Ų45.245%0.45122%0.22SC..Hα-helixtrans-66.4-46.2-178.7-60.7172.6000111.4Q831 L832 L862 I864 L875I828-Q831 WeakPolarHBondContact O-CB 3.45Å; I828-Q831 PolarHBondContact O-N 3.05Å; I828-Q831 VanDerWaalsContact O-N 3.07Å; I828-L832 PolarHBondContact O-N 2.86Å; I828-L862 HydrophobicContact CG2-CD1 4.49Å; I828-I864 HydrophobicContact CG2-CD1 3.67Å; I828-L875 HydrophobicContact CB-CD1 4.5Å; I828-L875 HydrophobicContact CG2-CD1 3.66Å
829A93.4Very high92.5Very high6 Ų645.1 Ų45.15%0.0522%0.221CC..Hα-helixtrans-53.7-52.3-176.600000114.8Q831 L832 L833 I879 L882A829-Q831 VanDerWaalsContact C-N 3.3Å; A829-Q831 PolarHBondContact O-N 3.18Å; A829-L832 PolarHBondContact O-N 3.13Å; A829-L833 PolarHBondContact O-N 3.09Å; A829-I879 HydrophobicContact CB-CG1 3.71Å; A829-L882 HydrophobicContact CB-CB 4.37Å; A829-L882 HydrophobicContact CB-CD2 3.88Å
830P94.2Very high92.2Very high2 Ų250.1 Ų50.11%0.01324%0.24CC..Hα-helixtrans-73.1-17.7177.530.9-35.5000113.9Y819 R822 L823 D827 L833 L882Y819-P830 HydrophobicContact CD2-CB 3.95Å; Y819-P830 HydrophobicContact CE2-CB 3.56Å; Y819-P830 PolarHBondContact OH-O 3.24Å; R822-P830 HydrophobicContact CB-CG 3.99Å; L823-P830 HydrophobicContact CB-CB 4.01Å; L823-P830 HydrophobicContact CB-CG 4.29Å; L823-P830 HydrophobicContact CD1-CB 4.23Å; D827-P830 VanDerWaalsContact CB-CD 3.43Å; D827-P830 HydrophobicContact CB-CG 3.63Å; D827-P830 VanDerWaalsContact O-CD 3.29Å; D827-P830 WeakPolarHBondContact O-CD 3.38Å; D827-P830 WeakPolarHBondContact O-CG 3.24Å; P830-L833 VanDerWaalsContact O-O 3.08Å; P830-L882 HydrophobicContact CB-CD2 3.91Å; P830-L882 HydrophobicContact CG-CD2 4.3Å
831Q93.7Very high91.9Very high65 Ų6553.1 Ų53.130%0.30425%0.25SS..Hα-helixtrans-76.7-29.4171.9-72.8176.696.200111.8L823 R826 D827 I828 A829 R858 L862L823-Q831 HydrophobicContact CD1-CG 3.83Å; R826-Q831 PolarHBondContact O-NE2 3.24Å; D827-Q831 VanDerWaalsContact C-NE2 3.35Å; D827-Q831 WeakPolarHBondContact O-CG 3.47Å; D827-Q831 PolarHBondContact O-NE2 2.94Å; I828-Q831 WeakPolarHBondContact O-CB 3.45Å; I828-Q831 PolarHBondContact O-N 3.05Å; I828-Q831 VanDerWaalsContact O-N 3.07Å; A829-Q831 VanDerWaalsContact C-N 3.3Å; A829-Q831 PolarHBondContact O-N 3.18Å; Q831-R858 PolarHBondContact O-NH2 3Å; Q831-L862 HydrophobicContact CB-CD1 4.08Å; Q831-L862 HydrophobicContact CB-CD2 4.29Å
832L93Very high91.7Very high5 Ų551 Ų513%0.02624%0.241CC..Hα-helixtrans-80.5-48.6-178.7-163.671.6000112.1I828 A829 L850 V854 R858 F859 L862 I864 L875 I879I828-L832 PolarHBondContact O-N 2.86Å; A829-L832 PolarHBondContact O-N 3.13Å; L832-L850 HydrophobicContact CD2-CD1 3.83Å; L832-L850 HydrophobicContact CD2-CD2 4.46Å; L832-V854 HydrophobicContact CD1-CG1 3.69Å; L832-V854 HydrophobicContact CD2-CG2 4.37Å; L832-V854 HydrophobicContact CG-CG1 3.93Å; L832-V854 HydrophobicContact CG-CG2 4.09Å; L832-R858 HydrophobicContact CD1-CB 4.36Å; L832-R858 PolarHBondContact O-NH2 2.76Å; L832-R858 VanDerWaalsContact O-NH2 3.15Å; L832-F859 HydrophobicContact CD1-CD1 4.03Å; L832-F859 HydrophobicContact CD1-CE1 4.06Å; L832-F859 HydrophobicContact CD1-CG 4.48Å; L832-F859 HydrophobicContact CD2-CD1 4.44Å; L832-F859 HydrophobicContact CD2-CE1 3.78Å; L832-F859 HydrophobicContact CD2-CZ 4.33Å; L832-F859 HydrophobicContact CG-CE1 4.48Å; L832-L862 HydrophobicContact CB-CD1 4.42Å; L832-L862 HydrophobicContact CD1-CD1 3.95Å; L832-I864 HydrophobicContact CD1-CD1 4.45Å; L832-L875 HydrophobicContact CD2-CD1 4.2Å; L832-L875 HydrophobicContact CD2-CD2 3.81Å; L832-L875 HydrophobicContact CD2-CG 4.26Å; L832-I879 HydrophobicContact CD2-CD1 4.07Å
833L92.8Very high91.4Very high2 Ų254.7 Ų54.71%0.0126%0.256CS..SBendtrans-106.1135.1-179.5-64.7-179.7000111.4Y819 A829 P830 D837 L838 L845 L850 I853 V854 I879Y819-L833 WeakPolarHBondContact CE2-O 3.45Å; Y819-L833 PolarHBondContact OH-O 3.33Å; A829-L833 PolarHBondContact O-N 3.09Å; P830-L833 VanDerWaalsContact O-O 3.08Å; L833-D837 HydrophobicContact CB-CB 4.34Å; L833-D837 HydrophobicContact CD2-CB 4.09Å; L833-L838 HydrophobicContact CB-CB 4.35Å; L833-L838 HydrophobicContact CD1-CD1 4.41Å; L833-L845 HydrophobicContact CD1-CD2 4.49Å; L833-L850 HydrophobicContact CD2-CD1 4.46Å; L833-I853 HydrophobicContact CD2-CD1 3.86Å; L833-I853 HydrophobicContact CD2-CG1 4.14Å; L833-V854 HydrophobicContact CD2-CG2 3.43Å; L833-V854 VanDerWaalsContact CD2-CG2 3.43Å; L833-V854 HydrophobicContact CG-CG2 4.5Å; L833-I879 HydrophobicContact CD1-CD1 4.12Å; L833-I879 HydrophobicContact CD1-CG1 4.48Å; L833-I879 HydrophobicContact CD1-CG2 3.6Å
834S91Very high91Very high43 Ų4357.3 Ų57.330%0.30127%0.27SS..  trans-61159.6165.878.10000109.9Y819 V836 D837 L838Y819-S834 WeakPolarHBondContact OH-CA 3.47Å; S834-V836 PolarHBondContact O-N 3.09Å; S834-V836 PolarHBondContact OG-N 3.13Å; S834-D837 WeakPolarHBondContact CB-OD2 3.35Å; S834-D837 PolarHBondContact O-N 2.87Å; S834-D837 PolarHBondContact OG-N 3.1Å; S834-D837 PolarHBondContact OG-OD2 3.23Å; S834-L838 WeakPolarHBondContact O-CB 3.29Å; S834-L838 PolarHBondContact O-N 3.1Å
835F91.6Very high91.1Very high9 Ų955.5 Ų55.54%0.03925%0.254CS..Hα-helixtrans-55.9-37.1174-179.7-112.1000111.6A815 Y816 Y819 M839 L978 L984 M988A815-F835 HydrophobicContact CB-CE2 4.43Å; A815-F835 HydrophobicContact CB-CZ 4.28Å; Y816-F835 HydrophobicContact CD2-CB 4.07Å; Y816-F835 AromaticContact CD2-CD1 3.54Å; Y816-F835 HydrophobicContact CD2-CD1 3.54Å; Y816-F835 AromaticContact CD2-CD2 3.96Å; Y816-F835 HydrophobicContact CD2-CD2 3.96Å; Y816-F835 AromaticContact CD2-CE1 3.86Å; Y816-F835 HydrophobicContact CD2-CE1 3.86Å; Y816-F835 HydrophobicContact CD2-CE2 4.25Å; Y816-F835 AromaticContact CD2-CG 3.58Å; Y816-F835 HydrophobicContact CD2-CG 3.58Å; Y816-F835 HydrophobicContact CD2-CZ 4.2Å; Y816-F835 HydrophobicContact CE2-CB 4.1Å; Y816-F835 HydrophobicContact CE2-CD1 4.15Å; Y816-F835 HydrophobicContact CE2-CG 4.1Å; Y816-F835 HydrophobicContact CG-CD1 4.43Å; Y816-F835 HydrophobicContact CG-CE1 4.34Å; Y819-F835 HydrophobicContact CD1-CB 3.81Å; Y819-F835 HydrophobicContact CD1-CD2 4.08Å; Y819-F835 HydrophobicContact CD1-CG 4.32Å; Y819-F835 HydrophobicContact CD2-CB 4.32Å; Y819-F835 HydrophobicContact CD2-CD2 4.03Å; Y819-F835 HydrophobicContact CE1-CB 3.81Å; Y819-F835 HydrophobicContact CE2-CB 4.3Å; Y819-F835 HydrophobicContact CG-CB 4.08Å; Y819-F835 AromaticContact CG-CD2 3.63Å; Y819-F835 HydrophobicContact CG-CD2 3.63Å; Y819-F835 HydrophobicContact CG-CG 4.29Å; Y819-F835 PolarHBondContact OH-N 3.18Å; F835-M839 HydrophobicContact CD1-CG 4.34Å; F835-M839 HydrophobicContact CD2-CE 4.39Å; F835-M839 HydrophobicContact CD2-CG 4.23Å; F835-M839 HydrophobicContact CE1-CG 3.99Å; F835-M839 HydrophobicContact CE2-CE 3.95Å; F835-M839 HydrophobicContact CE2-CG 3.87Å; F835-M839 HydrophobicContact CE2-SD 3.9Å; F835-M839 HydrophobicContact CG-CG 4.47Å; F835-M839 HydrophobicContact CZ-CG 3.75Å; F835-M839 HydrophobicContact CZ-SD 3.94Å; F835-M839 VanDerWaalsContact O-CG 3.23Å; F835-M839 WeakPolarHBondContact O-CG 3.27Å; F835-M839 PolarHBondContact O-N 3.5Å; F835-L978 HydrophobicContact CD1-CD1 3.7Å; F835-L978 HydrophobicContact CE1-CD1 3.84Å; F835-L978 HydrophobicContact CE1-CD2 4.42Å; F835-L984 HydrophobicContact CD1-CD2 3.8Å; F835-L984 HydrophobicContact CE1-CD2 3.9Å; F835-M988 HydrophobicContact CE1-CE 4.43Å; F835-M988 HydrophobicContact CE1-SD 3.75Å; F835-M988 HydrophobicContact CZ-CE 3.9Å; F835-M988 HydrophobicContact CZ-SD 3.81Å
836V88.8Confident91.2Very high37 Ų3754.5 Ų54.522%0.22425%0.254CS..Hα-helixtrans-64.2-48.4178.4-177.50000111.3S834 L838 M839 R840 L984S834-V836 PolarHBondContact O-N 3.09Å; S834-V836 PolarHBondContact OG-N 3.13Å; V836-L838 VanDerWaalsContact C-N 3.35Å; V836-M839 PolarHBondContact O-N 3.4Å; V836-R840 WeakPolarHBondContact O-CG 3.35Å; V836-R840 PolarHBondContact O-N 3.46Å; V836-L984 HydrophobicContact CB-CD2 4.09Å; V836-L984 HydrophobicContact CG1-CB 4.35Å; V836-L984 HydrophobicContact CG1-CD2 4.26Å; V836-L984 HydrophobicContact CG2-CD2 3.82Å
837D90.1Very high91.3Very high50 Ų5047.4 Ų47.427%0.26723%0.23SC..Hα-helixtrans-68.4-38.3-179.5-58.2-44000111.3L833 S834 M839 R840 Y841L833-D837 HydrophobicContact CB-CB 4.34Å; L833-D837 HydrophobicContact CD2-CB 4.09Å; S834-D837 WeakPolarHBondContact CB-OD2 3.35Å; S834-D837 PolarHBondContact O-N 2.87Å; S834-D837 PolarHBondContact OG-N 3.1Å; S834-D837 PolarHBondContact OG-OD2 3.23Å; D837-M839 VanDerWaalsContact C-N 3.35Å; D837-M839 PolarHBondContact O-N 2.81Å; D837-R840 PolarHBondContact O-N 3.09Å; D837-Y841 HydrophobicContact CB-CD2 4.23Å; D837-Y841 WeakPolarHBondContact O-CB 3.44Å; D837-Y841 WeakPolarHBondContact O-CD2 3.23Å; D837-Y841 PolarHBondContact O-N 3.46Å
838L92.8Very high91.2Very high1 Ų148.7 Ų48.71%0.00525%0.247CC..Hα-helixtrans-56.7-50.9172.7-179.571000110.1Y819 L833 S834 V836 R840 G842 I879 L882 W883Y819-L838 HydrophobicContact CD2-CD2 3.73Å; Y819-L838 HydrophobicContact CE2-CD2 4.27Å; L833-L838 HydrophobicContact CB-CB 4.35Å; L833-L838 HydrophobicContact CD1-CD1 4.41Å; S834-L838 WeakPolarHBondContact O-CB 3.29Å; S834-L838 PolarHBondContact O-N 3.1Å; V836-L838 VanDerWaalsContact C-N 3.35Å; L838-R840 VanDerWaalsContact C-N 3.33Å; L838-R840 PolarHBondContact O-N 3.07Å; L838-G842 WeakPolarHBondContact O-CA 3.21Å; L838-G842 PolarHBondContact O-N 3.04Å; L838-I879 HydrophobicContact CD1-CG2 3.73Å; L838-L882 HydrophobicContact CD1-CD2 4.16Å; L838-L882 HydrophobicContact CD1-CG 4.38Å; L838-L882 HydrophobicContact CD2-CD2 3.7Å; L838-L882 HydrophobicContact CD2-CG 3.76Å; L838-W883 HydrophobicContact CD1-CB 3.97Å; L838-W883 HydrophobicContact CG-CB 4.35Å
839M90.4Very high91.2Very high23 Ų2346.8 Ų46.811%0.11324%0.239CC..Hα-helixtrans-66.6-33.5-178.2-66.5-60.895.800112.9F835 V836 D837 W883 C886 I887 L984 M988F835-M839 HydrophobicContact CD1-CG 4.34Å; F835-M839 HydrophobicContact CD2-CE 4.39Å; F835-M839 HydrophobicContact CD2-CG 4.23Å; F835-M839 HydrophobicContact CE1-CG 3.99Å; F835-M839 HydrophobicContact CE2-CE 3.95Å; F835-M839 HydrophobicContact CE2-CG 3.87Å; F835-M839 HydrophobicContact CE2-SD 3.9Å; F835-M839 HydrophobicContact CG-CG 4.47Å; F835-M839 HydrophobicContact CZ-CG 3.75Å; F835-M839 HydrophobicContact CZ-SD 3.94Å; F835-M839 VanDerWaalsContact O-CG 3.23Å; F835-M839 WeakPolarHBondContact O-CG 3.27Å; F835-M839 PolarHBondContact O-N 3.5Å; V836-M839 PolarHBondContact O-N 3.4Å; D837-M839 VanDerWaalsContact C-N 3.35Å; D837-M839 PolarHBondContact O-N 2.81Å; M839-W883 HydrophobicContact CE-CG 4.49Å; M839-C886 HydrophobicContact CE-CB 3.79Å; M839-I887 HydrophobicContact CE-CD1 4.48Å; M839-I887 HydrophobicContact CE-CG1 4.42Å; M839-I887 HydrophobicContact SD-CD1 3.58Å; M839-I887 VanDerWaalsContact SD-CD1 3.58Å; M839-I887 HydrophobicContact SD-CG1 4.11Å; M839-L984 HydrophobicContact CB-CD1 3.58Å; M839-L984 HydrophobicContact CB-CD2 4.43Å; M839-L984 HydrophobicContact CG-CD1 4.27Å; M839-L984 HydrophobicContact CG-CD2 4.38Å; M839-M988 HydrophobicContact CB-SD 4.39Å; M839-M988 HydrophobicContact CG-CE 4.16Å; M839-M988 HydrophobicContact CG-SD 3.7Å; M839-M988 HydrophobicContact SD-CE 3.64Å; M839-M988 HydrophobicContact SD-SD 4.03Å
840R87.4Confident91.3Very high120 Ų12046.5 Ų46.545%0.45324%0.237SC..Hα-helixtrans-74.7-42.5178.5-75.5178.3176.9173.7-1.7113.7V836 D837 L838V836-R840 WeakPolarHBondContact O-CG 3.35Å; V836-R840 PolarHBondContact O-N 3.46Å; D837-R840 PolarHBondContact O-N 3.09Å; L838-R840 VanDerWaalsContact C-N 3.33Å; L838-R840 PolarHBondContact O-N 3.07Å
841Y89.3Confident91.3Very high95 Ų9549.8 Ų49.837%0.37325%0.254SS..Hα-helixtrans-118.1-9.9-167.5-55.4-67.5000114.3D837 Y843 L845 T849 I853D837-Y841 HydrophobicContact CB-CD2 4.23Å; D837-Y841 WeakPolarHBondContact O-CB 3.44Å; D837-Y841 WeakPolarHBondContact O-CD2 3.23Å; D837-Y841 PolarHBondContact O-N 3.46Å; Y841-Y843 VanDerWaalsContact C-N 3.27Å; Y841-Y843 PolarHBondContact O-N 3.1Å; Y841-L845 WeakPolarHBondContact O-CB 3.44Å; Y841-L845 WeakPolarHBondContact O-CD1 3.49Å; Y841-T849 HydrophobicContact CD1-CG2 4.49Å; Y841-I853 HydrophobicContact CD1-CG2 4.25Å; Y841-I853 HydrophobicContact CD2-CB 4.36Å; Y841-I853 HydrophobicContact CD2-CD1 3.74Å; Y841-I853 HydrophobicContact CD2-CG2 3.98Å; Y841-I853 HydrophobicContact CE1-CG2 4.21Å; Y841-I853 HydrophobicContact CE2-CB 4.42Å; Y841-I853 HydrophobicContact CE2-CG2 3.92Å; Y841-I853 HydrophobicContact CG-CD1 3.82Å; Y841-I853 HydrophobicContact CG-CG2 4.13Å
842G88.7Confident91.2Very high0 Ų051.1 Ų51.10%027%0.27CS..  trans-75.5-6.7-172.600000115.6L838 N880 W883L838-G842 WeakPolarHBondContact O-CA 3.21Å; L838-G842 PolarHBondContact O-N 3.04Å; G842-N880 PolarHBondContact O-OD1 3.48Å; G842-W883 WeakPolarHBondContact O-CB 3.39Å
843Y88.9Confident91.2Very high154 Ų15452.7 Ų52.760%0.60428%0.279SS*.THydrogen-bonded Turntrans-83.7118.5172.9-179.9-112.5000110.2Y841 L845 W883Y841-Y843 VanDerWaalsContact C-N 3.27Å; Y841-Y843 PolarHBondContact O-N 3.1Å; Y843-L845 PolarHBondContact O-N 3.09Å; Y843-W883 HydrophobicContact CD2-CE3 4.21Å; Y843-W883 AromaticContact CD2-CH2 3.42Å; Y843-W883 HydrophobicContact CD2-CH2 3.42Å; Y843-W883 VanDerWaalsContact CD2-CH2 3.42Å; Y843-W883 HydrophobicContact CD2-CZ2 4.08Å; Y843-W883 AromaticContact CD2-CZ3 3.5Å; Y843-W883 HydrophobicContact CD2-CZ3 3.5Å; Y843-W883 HydrophobicContact CE2-CH2 4.25Å; Y843-W883 HydrophobicContact CE2-CZ3 4.28Å; Y843-W883 HydrophobicContact CG-CH2 4.03Å; Y843-W883 HydrophobicContact CG-CZ2 4.24Å; Y843-W883 HydrophobicContact CG-CZ3 4.38Å
844N86.2Confident91.2Very high112 Ų11252.9 Ų52.960%0.59928%0.28SS*.THydrogen-bonded Turntrans50.440.7-177.5-65.4-18.1000112.7T846N844-T846 PolarHBondContact O-N 3.27Å
845L92.2Very high91.3Very high8 Ų854.2 Ų54.24%0.04229%0.288CS..  trans-57.2137.3179.1-177.169000110L833 Y841 Y843 T849 L850 I853 V876 I879 N880L833-L845 HydrophobicContact CD1-CD2 4.49Å; Y841-L845 WeakPolarHBondContact O-CB 3.44Å; Y841-L845 WeakPolarHBondContact O-CD1 3.49Å; Y843-L845 PolarHBondContact O-N 3.09Å; L845-T849 HydrophobicContact CD1-CG2 3.68Å; L845-L850 HydrophobicContact CD1-CB 4.38Å; L845-L850 HydrophobicContact CD2-CB 4.13Å; L845-L850 HydrophobicContact CD2-CD1 4.12Å; L845-L850 HydrophobicContact CG-CB 4.32Å; L845-I853 HydrophobicContact CD1-CD1 4.11Å; L845-V876 WeakPolarHBondContact O-CG1 3.45Å; L845-I879 HydrophobicContact CD2-CB 4.03Å; L845-I879 HydrophobicContact CD2-CD1 3.95Å; L845-I879 HydrophobicContact CD2-CG2 3.55Å; L845-N880 WeakPolarHBondContact CB-OD1 3.46Å; L845-N880 PolarHBondContact N-OD1 3.41Å; L845-N880 PolarHBondContact O-ND2 2.01Å
846T93.1Very high91.2Very high69 Ų6958.6 Ų58.642%0.42332%0.315SS..  trans-107.9160.8173.972.90000110.8N844 A848 T849 L850N844-T846 PolarHBondContact O-N 3.27Å; T846-A848 VanDerWaalsContact C-N 3.29Å; T846-A848 PolarHBondContact O-N 3Å; T846-T849 PolarHBondContact O-N 3.31Å; T846-T849 PolarHBondContact OG1-N 3.25Å; T846-T849 VanDerWaalsContact OG1-N 3.14Å; T846-T849 PolarHBondContact OG1-OG1 3.38Å; T846-L850 WeakPolarHBondContact O-CB 3.39Å; T846-L850 PolarHBondContact O-N 3.24Å
847E93Very high91.4Very high61 Ų6160.8 Ų60.829%0.28533%0.326SS..Hα-helixtrans-56.5-43.9174.7-176.1175.3167.100111.7T849 L850 L851 M872 V876E847-T849 PolarHBondContact O-N 2.94Å; E847-L850 PolarHBondContact O-N 3.14Å; E847-L851 HydrophobicContact CG-CD1 4.24Å; E847-L851 WeakPolarHBondContact O-CG 3.38Å; E847-L851 PolarHBondContact O-N 2.9Å; E847-M872 HydrophobicContact CG-CB 4.14Å; E847-M872 HydrophobicContact CG-CE 4.19Å; E847-V876 HydrophobicContact CB-CG2 4.48Å
848A92.6Very high91.5Very high73 Ų7363.1 Ų63.160%0.60333%0.331SS*.Hα-helixtrans-61.5-44.6177.600000112.2T846 L851 S852T846-A848 VanDerWaalsContact C-N 3.29Å; T846-A848 PolarHBondContact O-N 3Å; A848-L851 PolarHBondContact O-N 2.95Å; A848-S852 WeakPolarHBondContact O-CB 3.48Å; A848-S852 PolarHBondContact O-N 2.97Å
849T92.8Very high91.5Very high47 Ų4763.2 Ų63.229%0.28833%0.331SS..Hα-helixtrans-62.9-44.2175.8-510000110.8Y841 L845 T846 E847 L851 S852 I853Y841-T849 HydrophobicContact CD1-CG2 4.49Å; L845-T849 HydrophobicContact CD1-CG2 3.68Å; T846-T849 PolarHBondContact O-N 3.31Å; T846-T849 PolarHBondContact OG1-N 3.25Å; T846-T849 VanDerWaalsContact OG1-N 3.14Å; T846-T849 PolarHBondContact OG1-OG1 3.38Å; E847-T849 PolarHBondContact O-N 2.94Å; T849-L851 PolarHBondContact O-N 3.47Å; T849-S852 WeakPolarHBondContact CA-OG 3.33Å; T849-S852 PolarHBondContact O-N 3.47Å; T849-S852 VanDerWaalsContact O-N 3.08Å; T849-S852 PolarHBondContact O-OG 2.64Å; T849-I853 HydrophobicContact CG2-CG2 4.36Å; T849-I853 WeakPolarHBondContact O-CG1 3.33Å; T849-I853 WeakPolarHBondContact O-CG2 3.47Å; T849-I853 PolarHBondContact O-N 3.33Å; T849-I853 VanDerWaalsContact O-N 3.07Å
850L94.5Very high91.5Very high0 Ų065.6 Ų65.60%035%0.35CS..Hα-helixtrans-59.6-45.1179.5178.858.8000111.8L832 L833 L845 T846 E847 S852 I853 V854 F859 M872 L875 V876 I879L832-L850 HydrophobicContact CD2-CD1 3.83Å; L832-L850 HydrophobicContact CD2-CD2 4.46Å; L833-L850 HydrophobicContact CD2-CD1 4.46Å; L845-L850 HydrophobicContact CD1-CB 4.38Å; L845-L850 HydrophobicContact CD2-CB 4.13Å; L845-L850 HydrophobicContact CD2-CD1 4.12Å; L845-L850 HydrophobicContact CG-CB 4.32Å; T846-L850 WeakPolarHBondContact O-CB 3.39Å; T846-L850 PolarHBondContact O-N 3.24Å; E847-L850 PolarHBondContact O-N 3.14Å; L850-S852 VanDerWaalsContact C-N 3.27Å; L850-S852 PolarHBondContact O-N 3.27Å; L850-I853 PolarHBondContact O-N 3.23Å; L850-V854 HydrophobicContact CD1-CG2 3.63Å; L850-V854 WeakPolarHBondContact O-CB 3.42Å; L850-V854 PolarHBondContact O-N 3.27Å; L850-V854 VanDerWaalsContact O-N 3.12Å; L850-F859 HydrophobicContact CD1-CZ 4.42Å; L850-F859 HydrophobicContact CD2-CE1 4.47Å; L850-F859 HydrophobicContact CG-CE1 4.41Å; L850-F859 HydrophobicContact CG-CZ 4.08Å; L850-M872 HydrophobicContact CD2-CE 3.86Å; L850-M872 HydrophobicContact CG-CE 4.42Å; L850-L875 HydrophobicContact CD2-CD2 3.93Å; L850-L875 HydrophobicContact CD2-CG 4.07Å; L850-V876 HydrophobicContact CB-CG2 4.46Å; L850-V876 HydrophobicContact CD2-CG2 3.79Å; L850-I879 HydrophobicContact CD1-CD1 3.77Å; L850-I879 HydrophobicContact CD2-CD1 4.01Å
851L93.6Very high91.8Very high71 Ų7165.6 Ų65.637%0.37236%0.359SS..Hα-helixtrans-66-28.3176-69.5171.8000112.8E847 A848 T849 F859 I866 M872E847-L851 HydrophobicContact CG-CD1 4.24Å; E847-L851 WeakPolarHBondContact O-CG 3.38Å; E847-L851 PolarHBondContact O-N 2.9Å; A848-L851 PolarHBondContact O-N 2.95Å; T849-L851 PolarHBondContact O-N 3.47Å; L851-F859 HydrophobicContact CD2-CE2 4.32Å; L851-F859 HydrophobicContact CD2-CZ 4.28Å; L851-I866 HydrophobicContact CD2-CB 4.15Å; L851-I866 HydrophobicContact CD2-CG2 4.08Å; L851-M872 HydrophobicContact CD2-CE 3.91Å; L851-M872 HydrophobicContact CG-CE 4.17Å
852S92.9Very high91.9Very high93 Ų9363.5 Ų63.565%0.6535%0.354SS*.Hα-helixtrans-78.3-29.4178.574.40000114.1A848 T849 L850A848-S852 WeakPolarHBondContact O-CB 3.48Å; A848-S852 PolarHBondContact O-N 2.97Å; T849-S852 WeakPolarHBondContact CA-OG 3.33Å; T849-S852 PolarHBondContact O-N 3.47Å; T849-S852 VanDerWaalsContact O-N 3.08Å; T849-S852 PolarHBondContact O-OG 2.64Å; L850-S852 VanDerWaalsContact C-N 3.27Å; L850-S852 PolarHBondContact O-N 3.27Å
853I92.8Very high92.1Very high39 Ų3968.9 Ų68.920%0.239%0.391CS..Hα-helixtrans-98.8-20.1-174.868.9-174.6000113.1L833 Y841 L845 T849 L850L833-I853 HydrophobicContact CD2-CD1 3.86Å; L833-I853 HydrophobicContact CD2-CG1 4.14Å; Y841-I853 HydrophobicContact CD1-CG2 4.25Å; Y841-I853 HydrophobicContact CD2-CB 4.36Å; Y841-I853 HydrophobicContact CD2-CD1 3.74Å; Y841-I853 HydrophobicContact CD2-CG2 3.98Å; Y841-I853 HydrophobicContact CE1-CG2 4.21Å; Y841-I853 HydrophobicContact CE2-CB 4.42Å; Y841-I853 HydrophobicContact CE2-CG2 3.92Å; Y841-I853 HydrophobicContact CG-CD1 3.82Å; Y841-I853 HydrophobicContact CG-CG2 4.13Å; L845-I853 HydrophobicContact CD1-CD1 4.11Å; T849-I853 HydrophobicContact CG2-CG2 4.36Å; T849-I853 WeakPolarHBondContact O-CG1 3.33Å; T849-I853 WeakPolarHBondContact O-CG2 3.47Å; T849-I853 PolarHBondContact O-N 3.33Å; T849-I853 VanDerWaalsContact O-N 3.07Å; L850-I853 PolarHBondContact O-N 3.23Å
854V93.5Very high92.2Very high6 Ų662.3 Ų62.34%0.03637%0.367CS..SBendtrans-108.2122.1-178.8-177.10000110.2L832 L833 L850 R858 F859L832-V854 HydrophobicContact CD1-CG1 3.69Å; L832-V854 HydrophobicContact CD2-CG2 4.37Å; L832-V854 HydrophobicContact CG-CG1 3.93Å; L832-V854 HydrophobicContact CG-CG2 4.09Å; L833-V854 HydrophobicContact CD2-CG2 3.43Å; L833-V854 VanDerWaalsContact CD2-CG2 3.43Å; L833-V854 HydrophobicContact CG-CG2 4.5Å; L850-V854 HydrophobicContact CD1-CG2 3.63Å; L850-V854 WeakPolarHBondContact O-CB 3.42Å; L850-V854 PolarHBondContact O-N 3.27Å; L850-V854 VanDerWaalsContact O-N 3.12Å; V854-R858 HydrophobicContact CG1-CB 3.77Å; V854-R858 HydrophobicContact CG1-CG 4.44Å; V854-F859 HydrophobicContact CB-CD2 4.43Å; V854-F859 HydrophobicContact CB-CE2 3.49Å; V854-F859 VanDerWaalsContact CB-CE2 3.49Å; V854-F859 HydrophobicContact CB-CZ 3.62Å; V854-F859 HydrophobicContact CG1-CD2 3.89Å; V854-F859 HydrophobicContact CG1-CE1 4.43Å; V854-F859 HydrophobicContact CG1-CE2 3.4Å; V854-F859 HydrophobicContact CG1-CZ 3.71Å; V854-F859 HydrophobicContact CG2-CZ 4.3Å; V854-F859 WeakPolarHBondContact O-CE2 3.1Å
855P92.5Very high92.5Very high71 Ų7161 Ų6146%0.46136%0.36SS..  trans-58142.3173.4-27.436.8000113.1D857 R858 F859P855-D857 WeakPolarHBondContact CB-OD1 3.32Å; P855-D857 PolarHBondContact O-N 2.95Å; P855-R858 HydrophobicContact CB-CG 4.41Å; P855-R858 WeakPolarHBondContact O-CB 3.28Å; P855-R858 PolarHBondContact O-N 2.92Å; P855-F859 WeakPolarHBondContact O-CD2 2.93Å
856T89.5Confident92.4Very high101 Ų10163.6 Ų63.662%0.6237%0.373SS*.Hα-helixtrans-57.9-32.4-177.641.10000113.6R858 F859 S860 I866T856-R858 VanDerWaalsContact C-N 3.29Å; T856-R858 PolarHBondContact O-N 3.02Å; T856-F859 PolarHBondContact O-N 3.31Å; T856-S860 PolarHBondContact O-N 3Å; T856-I866 HydrophobicContact CG2-CD1 4.42Å
857D92Very high92.4Very high83 Ų8369.2 Ų69.244%0.44439%0.392SS..Hα-helixtrans-64.4-31.2177.962.2-71000112.8P855 F859 S860 N861P855-D857 WeakPolarHBondContact CB-OD1 3.32Å; P855-D857 PolarHBondContact O-N 2.95Å; D857-F859 VanDerWaalsContact C-N 3.33Å; D857-F859 PolarHBondContact O-N 3.34Å; D857-S860 VanDerWaalsContact CA-OG 3.29Å; D857-S860 WeakPolarHBondContact CA-OG 3.39Å; D857-S860 PolarHBondContact O-N 3.24Å; D857-S860 PolarHBondContact O-OG 3.09Å; D857-N861 WeakPolarHBondContact O-CB 3.19Å; D857-N861 PolarHBondContact O-N 3.34Å; D857-N861 PolarHBondContact O-ND2 3.12Å; D857-N861 PolarHBondContact O-OD1 2.69Å
858R92.2Very high92.3Very high99 Ų9969.3 Ų69.337%0.37439%0.394SS..Hα-helixtrans-67.2-36.6177.4-69.2-75.7-72.5-104.5-1.4111.7Q831 L832 V854 P855 T856 L862Q831-R858 PolarHBondContact O-NH2 3Å; L832-R858 HydrophobicContact CD1-CB 4.36Å; L832-R858 PolarHBondContact O-NH2 2.76Å; L832-R858 VanDerWaalsContact O-NH2 3.15Å; V854-R858 HydrophobicContact CG1-CB 3.77Å; V854-R858 HydrophobicContact CG1-CG 4.44Å; P855-R858 HydrophobicContact CB-CG 4.41Å; P855-R858 WeakPolarHBondContact O-CB 3.28Å; P855-R858 PolarHBondContact O-N 2.92Å; T856-R858 VanDerWaalsContact C-N 3.29Å; T856-R858 PolarHBondContact O-N 3.02Å; R858-L862 PolarHBondContact O-N 3.05Å
859F93.6Very high92.2Very high2 Ų268.4 Ų68.41%0.00938%0.383CS..Hα-helixtrans-67.2-46.7174.1-66.2-81.1000111.1L832 L850 L851 V854 P855 T856 D857 N861 L862 S863 I864 I866 M872 L875L832-F859 HydrophobicContact CD1-CD1 4.03Å; L832-F859 HydrophobicContact CD1-CE1 4.06Å; L832-F859 HydrophobicContact CD1-CG 4.48Å; L832-F859 HydrophobicContact CD2-CD1 4.44Å; L832-F859 HydrophobicContact CD2-CE1 3.78Å; L832-F859 HydrophobicContact CD2-CZ 4.33Å; L832-F859 HydrophobicContact CG-CE1 4.48Å; L850-F859 HydrophobicContact CD1-CZ 4.42Å; L850-F859 HydrophobicContact CD2-CE1 4.47Å; L850-F859 HydrophobicContact CG-CE1 4.41Å; L850-F859 HydrophobicContact CG-CZ 4.08Å; L851-F859 HydrophobicContact CD2-CE2 4.32Å; L851-F859 HydrophobicContact CD2-CZ 4.28Å; V854-F859 HydrophobicContact CB-CD2 4.43Å; V854-F859 HydrophobicContact CB-CE2 3.49Å; V854-F859 VanDerWaalsContact CB-CE2 3.49Å; V854-F859 HydrophobicContact CB-CZ 3.62Å; V854-F859 HydrophobicContact CG1-CD2 3.89Å; V854-F859 HydrophobicContact CG1-CE1 4.43Å; V854-F859 HydrophobicContact CG1-CE2 3.4Å; V854-F859 HydrophobicContact CG1-CZ 3.71Å; V854-F859 HydrophobicContact CG2-CZ 4.3Å; V854-F859 WeakPolarHBondContact O-CE2 3.1Å; P855-F859 WeakPolarHBondContact O-CD2 2.93Å; T856-F859 PolarHBondContact O-N 3.31Å; D857-F859 VanDerWaalsContact C-N 3.33Å; D857-F859 PolarHBondContact O-N 3.34Å; F859-N861 VanDerWaalsContact C-N 3.31Å; F859-N861 PolarHBondContact O-N 2.73Å; F859-L862 CarbonylContact O-C 3.54Å; F859-L862 PolarHBondContact O-N 3.16Å; F859-L862 VanDerWaalsContact O-N 3.13Å; F859-S863 PolarHBondContact O-N 3.24Å; F859-S863 VanDerWaalsContact O-N 3.15Å; F859-I864 HydrophobicContact CB-CB 4.27Å; F859-I864 HydrophobicContact CD1-CB 4.2Å; F859-I864 HydrophobicContact CD1-CD1 4.28Å; F859-I864 HydrophobicContact CD1-CG2 4.01Å; F859-I864 PolarHBondContact O-N 2.89Å; F859-I866 HydrophobicContact CB-CG2 3.8Å; F859-I866 HydrophobicContact CD1-CG2 3.91Å; F859-I866 HydrophobicContact CD2-CG2 3.99Å; F859-I866 HydrophobicContact CE1-CG2 4.45Å; F859-I866 HydrophobicContact CE2-CG2 4.49Å; F859-I866 HydrophobicContact CG-CG2 3.64Å; F859-M872 HydrophobicContact CE1-CE 4.14Å; F859-M872 HydrophobicContact CE1-SD 4.41Å; F859-M872 HydrophobicContact CZ-CE 4.48Å; F859-L875 HydrophobicContact CE1-CD2 4.07Å
860S90.6Very high92.3Very high74 Ų7469.4 Ų69.452%0.51739%0.392SS..Hα-helixtrans-62.4-37.617854.60000112.6T856 D857 L862 S863T856-S860 PolarHBondContact O-N 3Å; D857-S860 VanDerWaalsContact CA-OG 3.29Å; D857-S860 WeakPolarHBondContact CA-OG 3.39Å; D857-S860 PolarHBondContact O-N 3.24Å; D857-S860 PolarHBondContact O-OG 3.09Å; S860-L862 PolarHBondContact O-N 3.13Å; S860-S863 PolarHBondContact O-N 3.11Å
861N92.6Very high92.2Very high120 Ų12072.1 Ų72.164%0.64241%0.407SS*.Hα-helixtrans-65.1-25.1177.6-71.3-14.7000113.3D857 F859D857-N861 WeakPolarHBondContact O-CB 3.19Å; D857-N861 PolarHBondContact O-N 3.34Å; D857-N861 PolarHBondContact O-ND2 3.12Å; D857-N861 PolarHBondContact O-OD1 2.69Å; F859-N861 VanDerWaalsContact C-N 3.31Å; F859-N861 PolarHBondContact O-N 2.73Å
862L92Very high92.2Very high51 Ų5168.8 Ų68.827%0.26739%0.389SS..THydrogen-bonded Turntrans-99.19.6174.8-66.1174.1000112.3I828 Q831 L832 R858 F859 S860 I864I828-L862 HydrophobicContact CG2-CD1 4.49Å; Q831-L862 HydrophobicContact CB-CD1 4.08Å; Q831-L862 HydrophobicContact CB-CD2 4.29Å; L832-L862 HydrophobicContact CB-CD1 4.42Å; L832-L862 HydrophobicContact CD1-CD1 3.95Å; R858-L862 PolarHBondContact O-N 3.05Å; F859-L862 CarbonylContact O-C 3.54Å; F859-L862 PolarHBondContact O-N 3.16Å; F859-L862 VanDerWaalsContact O-N 3.13Å; S860-L862 PolarHBondContact O-N 3.13Å; L862-I864 HydrophobicContact CB-CD1 3.8Å; L862-I864 HydrophobicContact CB-CG1 3.91Å; L862-I864 HydrophobicContact CD1-CD1 4.27Å; L862-I864 PolarHBondContact O-N 2.69Å
863S92.1Very high92.3Very high112 Ų11270.2 Ų70.278%0.78339%0.385SS*.THydrogen-bonded Turntrans55.635.8-178-54.30000113.6F859 S860F859-S863 PolarHBondContact O-N 3.24Å; F859-S863 VanDerWaalsContact O-N 3.15Å; S860-S863 PolarHBondContact O-N 3.11Å
864I91.9Very high92.3Very high17 Ų1774.3 Ų74.39%0.08740%0.404CS..  trans-94.1118.4179.8-56.9172.3000109.2I828 L832 F859 L862 I866 L871 M872 L875I828-I864 HydrophobicContact CG2-CD1 3.67Å; L832-I864 HydrophobicContact CD1-CD1 4.45Å; F859-I864 HydrophobicContact CB-CB 4.27Å; F859-I864 HydrophobicContact CD1-CB 4.2Å; F859-I864 HydrophobicContact CD1-CD1 4.28Å; F859-I864 HydrophobicContact CD1-CG2 4.01Å; F859-I864 PolarHBondContact O-N 2.89Å; L862-I864 HydrophobicContact CB-CD1 3.8Å; L862-I864 HydrophobicContact CB-CG1 3.91Å; L862-I864 HydrophobicContact CD1-CD1 4.27Å; L862-I864 PolarHBondContact O-N 2.69Å; I864-I866 PolarHBondContact O-N 3.29Å; I864-L871 HydrophobicContact CG2-CD2 3.99Å; I864-L871 HydrophobicContact CG2-CG 4.47Å; I864-M872 HydrophobicContact CG2-SD 4.25Å; I864-L875 HydrophobicContact CD1-CD2 4.06Å; I864-L875 HydrophobicContact CG2-CD2 4.18Å
865D91.7Very high92.3Very high85 Ų8574.6 Ų74.646%0.45541%0.405SS..  trans-80.2106.3172.4179.913.8000111K867 N868D865-K867 PolarHBondContact O-N 2.84Å; D865-K867 WeakPolarHBondContact OD1-CB 3.43Å; D865-K867 PolarHBondContact OD1-N 3.37Å; D865-N868 HydrophobicContact CB-CB 4.21Å; D865-N868 WeakPolarHBondContact O-CB 3.36Å; D865-N868 PolarHBondContact O-N 3.3Å; D865-N868 VanDerWaalsContact O-N 3.12Å
866I91.4Very high92.5Very high61 Ų6172 Ų7231%0.31339%0.388SS..THydrogen-bonded Turntrans-65.8-18.4178.363.8178.1000113.6L851 T856 F859 I864 N868 M872L851-I866 HydrophobicContact CD2-CB 4.15Å; L851-I866 HydrophobicContact CD2-CG2 4.08Å; T856-I866 HydrophobicContact CG2-CD1 4.42Å; F859-I866 HydrophobicContact CB-CG2 3.8Å; F859-I866 HydrophobicContact CD1-CG2 3.91Å; F859-I866 HydrophobicContact CD2-CG2 3.99Å; F859-I866 HydrophobicContact CE1-CG2 4.45Å; F859-I866 HydrophobicContact CE2-CG2 4.49Å; F859-I866 HydrophobicContact CG-CG2 3.64Å; I864-I866 PolarHBondContact O-N 3.29Å; I866-N868 VanDerWaalsContact C-N 3.32Å; I866-M872 HydrophobicContact CG2-SD 4.41Å
867K91.6Very high92.7Very high188 Ų18870.8 Ų70.882%0.81738%0.383SS*.THydrogen-bonded Turntrans-80.4-17.5175.9-62.6-178.3179.6178.60112D865 S869D865-K867 PolarHBondContact O-N 2.84Å; D865-K867 WeakPolarHBondContact OD1-CB 3.43Å; D865-K867 PolarHBondContact OD1-N 3.37Å; K867-S869 PolarHBondContact O-N 2.93Å; K867-S869 VanDerWaalsContact O-N 3.12Å
868N92.6Very high92.8Very high62 Ų6269.8 Ų69.833%0.33238%0.383SS..  trans-81.491.2177.3-174.5-19.9000110.2D865 I866 S870 L871 M872D865-N868 HydrophobicContact CB-CB 4.21Å; D865-N868 WeakPolarHBondContact O-CB 3.36Å; D865-N868 PolarHBondContact O-N 3.3Å; D865-N868 VanDerWaalsContact O-N 3.12Å; I866-N868 VanDerWaalsContact C-N 3.32Å; N868-S870 PolarHBondContact O-N 3.15Å; N868-S870 PolarHBondContact OD1-N 3.28Å; N868-S870 PolarHBondContact OD1-OG 2.8Å; N868-L871 HydrophobicContact CB-CB 3.97Å; N868-L871 PolarHBondContact O-N 3.13Å; N868-L871 VanDerWaalsContact O-N 3.1Å; N868-L871 PolarHBondContact OD1-N 3.29Å; N868-L871 VanDerWaalsContact OD1-N 3.15Å; N868-M872 WeakPolarHBondContact O-CG 3.43Å; N868-M872 PolarHBondContact O-N 3.38Å
869S90.7Very high93Very high55 Ų5565 Ų6539%0.38537%0.365SS..Hα-helixtrans-56.3-35.4-179.3-174.80000113.1K867 M872 Q873K867-S869 PolarHBondContact O-N 2.93Å; K867-S869 VanDerWaalsContact O-N 3.12Å; S869-M872 PolarHBondContact O-N 2.84Å; S869-Q873 WeakPolarHBondContact O-CB 3.3Å; S869-Q873 VanDerWaalsContact O-CG 3.27Å; S869-Q873 WeakPolarHBondContact O-CG 3.35Å; S869-Q873 PolarHBondContact O-N 2.87Å
870S94Very high93Very high68 Ų6867 Ų6748%0.47638%0.375SS..Hα-helixtrans-65.9-40.817874.40000112.7N868 Q873 Q874N868-S870 PolarHBondContact O-N 3.15Å; N868-S870 PolarHBondContact OD1-N 3.28Å; N868-S870 PolarHBondContact OD1-OG 2.8Å; S870-Q873 PolarHBondContact O-N 3.37Å; S870-Q874 WeakPolarHBondContact O-CG 3.43Å; S870-Q874 PolarHBondContact O-N 2.93Å; S870-Q874 VanDerWaalsContact O-N 3.11Å
871L92.9Very high93.2Very high57 Ų5769.2 Ų69.230%0.29838%0.377SS..Hα-helixtrans-67.3-42.3175.5-179.564.8000110.7I864 N868 Q873 Q874 L875I864-L871 HydrophobicContact CG2-CD2 3.99Å; I864-L871 HydrophobicContact CG2-CG 4.47Å; N868-L871 HydrophobicContact CB-CB 3.97Å; N868-L871 PolarHBondContact O-N 3.13Å; N868-L871 VanDerWaalsContact O-N 3.1Å; N868-L871 PolarHBondContact OD1-N 3.29Å; N868-L871 VanDerWaalsContact OD1-N 3.15Å; L871-Q873 PolarHBondContact O-N 3.15Å; L871-Q874 PolarHBondContact O-N 3.29Å; L871-L875 WeakPolarHBondContact O-CB 3.36Å; L871-L875 PolarHBondContact O-N 3.39Å
872M93.9Very high93.3Very high0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-61.7-41.7176.4-71.4-58-66.300111.9E847 L850 L851 F859 I864 I866 N868 S869 L875 V876E847-M872 HydrophobicContact CG-CB 4.14Å; E847-M872 HydrophobicContact CG-CE 4.19Å; L850-M872 HydrophobicContact CD2-CE 3.86Å; L850-M872 HydrophobicContact CG-CE 4.42Å; L851-M872 HydrophobicContact CD2-CE 3.91Å; L851-M872 HydrophobicContact CG-CE 4.17Å; F859-M872 HydrophobicContact CE1-CE 4.14Å; F859-M872 HydrophobicContact CE1-SD 4.41Å; F859-M872 HydrophobicContact CZ-CE 4.48Å; I864-M872 HydrophobicContact CG2-SD 4.25Å; I866-M872 HydrophobicContact CG2-SD 4.41Å; N868-M872 WeakPolarHBondContact O-CG 3.43Å; N868-M872 PolarHBondContact O-N 3.38Å; S869-M872 PolarHBondContact O-N 2.84Å; M872-L875 PolarHBondContact O-N 3.26Å; M872-L875 HydrophobicContact SD-CD2 4.22Å; M872-V876 WeakPolarHBondContact O-CB 3.34Å; M872-V876 WeakPolarHBondContact O-CG2 3.22Å; M872-V876 PolarHBondContact O-N 2.91Å
873Q93.4Very high93.5Very high123 Ų12362.7 Ų62.758%0.57534%0.341SS*.Hα-helixtrans-62.5-42.9174.2-73.9175.19.400112.4S869 S870 L871 L875 V876 S877S869-Q873 WeakPolarHBondContact O-CB 3.3Å; S869-Q873 VanDerWaalsContact O-CG 3.27Å; S869-Q873 WeakPolarHBondContact O-CG 3.35Å; S869-Q873 PolarHBondContact O-N 2.87Å; S870-Q873 PolarHBondContact O-N 3.37Å; L871-Q873 PolarHBondContact O-N 3.15Å; Q873-L875 VanDerWaalsContact C-N 3.33Å; Q873-L875 PolarHBondContact O-N 2.99Å; Q873-V876 PolarHBondContact O-N 3.02Å; Q873-S877 WeakPolarHBondContact O-CB 3.45Å; Q873-S877 PolarHBondContact O-N 2.84Å
874Q93.3Very high93.6Very high125 Ų12560.2 Ų60.258%0.58432%0.324SS*.Hα-helixtrans-63.4-38.5175.2-71.3176.513.900112.3S870 L871 S877 S878S870-Q874 WeakPolarHBondContact O-CG 3.43Å; S870-Q874 PolarHBondContact O-N 2.93Å; S870-Q874 VanDerWaalsContact O-N 3.11Å; L871-Q874 PolarHBondContact O-N 3.29Å; Q874-S877 PolarHBondContact O-N 3.33Å; Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.26Å; Q874-S878 PolarHBondContact O-OG 3.38Å
875L94.1Very high93.7Very high12 Ų1262 Ų626%0.06333%0.329CS..Hα-helixtrans-66.7-47.4177.4178.560000111.7I828 L832 L850 F859 I864 L871 M872 Q873 S877 S878 I879I828-L875 HydrophobicContact CB-CD1 4.5Å; I828-L875 HydrophobicContact CG2-CD1 3.66Å; L832-L875 HydrophobicContact CD2-CD1 4.2Å; L832-L875 HydrophobicContact CD2-CD2 3.81Å; L832-L875 HydrophobicContact CD2-CG 4.26Å; L850-L875 HydrophobicContact CD2-CD2 3.93Å; L850-L875 HydrophobicContact CD2-CG 4.07Å; F859-L875 HydrophobicContact CE1-CD2 4.07Å; I864-L875 HydrophobicContact CD1-CD2 4.06Å; I864-L875 HydrophobicContact CG2-CD2 4.18Å; L871-L875 WeakPolarHBondContact O-CB 3.36Å; L871-L875 PolarHBondContact O-N 3.39Å; M872-L875 PolarHBondContact O-N 3.26Å; M872-L875 HydrophobicContact SD-CD2 4.22Å; Q873-L875 VanDerWaalsContact C-N 3.33Å; Q873-L875 PolarHBondContact O-N 2.99Å; L875-S877 VanDerWaalsContact C-N 3.31Å; L875-S877 PolarHBondContact O-N 3.17Å; L875-S878 WeakPolarHBondContact O-CB 3.19Å; L875-S878 PolarHBondContact O-N 3.35Å; L875-S878 VanDerWaalsContact O-N 3.15Å; L875-I879 HydrophobicContact CD1-CD1 4.19Å; L875-I879 HydrophobicContact CD1-CG1 4.47Å; L875-I879 HydrophobicContact CG-CD1 4.12Å; L875-I879 WeakPolarHBondContact O-CG1 3.39Å; L875-I879 PolarHBondContact O-N 3.02Å
876V95.2Very high93.8Very high17 Ų1758 Ų5810%0.10331%0.307CS..Hα-helixtrans-56.5-46.5173.7167.40000110.5L845 E847 L850 M872 Q873 S878 I879 N880L845-V876 WeakPolarHBondContact O-CG1 3.45Å; E847-V876 HydrophobicContact CB-CG2 4.48Å; L850-V876 HydrophobicContact CB-CG2 4.46Å; L850-V876 HydrophobicContact CD2-CG2 3.79Å; M872-V876 WeakPolarHBondContact O-CB 3.34Å; M872-V876 WeakPolarHBondContact O-CG2 3.22Å; M872-V876 PolarHBondContact O-N 2.91Å; Q873-V876 PolarHBondContact O-N 3.02Å; V876-S878 VanDerWaalsContact C-N 3.35Å; V876-S878 PolarHBondContact O-N 3.32Å; V876-I879 PolarHBondContact O-N 3.39Å; V876-N880 WeakPolarHBondContact O-CB 3.49Å; V876-N880 PolarHBondContact O-N 3.2Å; V876-N880 PolarHBondContact O-ND2 3.38Å
877S94.1Very high93.9Very high75 Ų7555.4 Ų55.452%0.52429%0.294SS..Hα-helixtrans-59.1-43.7175.6-176.90000112.3Q873 Q874 L875 I879 N880 H881Q873-S877 WeakPolarHBondContact O-CB 3.45Å; Q873-S877 PolarHBondContact O-N 2.84Å; Q874-S877 PolarHBondContact O-N 3.33Å; L875-S877 VanDerWaalsContact C-N 3.31Å; L875-S877 PolarHBondContact O-N 3.17Å; S877-I879 PolarHBondContact O-N 3.08Å; S877-N880 PolarHBondContact O-N 2.91Å; S877-H881 WeakPolarHBondContact O-CB 3.4Å; S877-H881 PolarHBondContact O-N 3.1Å
878S94.6Very high93.8Very high62 Ų6247.4 Ų47.443%0.43427%0.265SS..Hα-helixtrans-64.6-37.6177.8-61.90000112.9Q874 L875 V876 H881 L882Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.26Å; Q874-S878 PolarHBondContact O-OG 3.38Å; L875-S878 WeakPolarHBondContact O-CB 3.19Å; L875-S878 PolarHBondContact O-N 3.35Å; L875-S878 VanDerWaalsContact O-N 3.15Å; V876-S878 VanDerWaalsContact C-N 3.35Å; V876-S878 PolarHBondContact O-N 3.32Å; S878-H881 PolarHBondContact O-N 3.37Å; S878-L882 WeakPolarHBondContact O-CB 3.15Å; S878-L882 PolarHBondContact O-N 3.42Å
879I96.1Very high93.9Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-69.3-47.8176-68.4166.2000110.9A829 L832 L833 L838 L845 L850 L875 V876 S877 H881 L882 W883A829-I879 HydrophobicContact CB-CG1 3.71Å; L832-I879 HydrophobicContact CD2-CD1 4.07Å; L833-I879 HydrophobicContact CD1-CD1 4.12Å; L833-I879 HydrophobicContact CD1-CG1 4.48Å; L833-I879 HydrophobicContact CD1-CG2 3.6Å; L838-I879 HydrophobicContact CD1-CG2 3.73Å; L845-I879 HydrophobicContact CD2-CB 4.03Å; L845-I879 HydrophobicContact CD2-CD1 3.95Å; L845-I879 HydrophobicContact CD2-CG2 3.55Å; L850-I879 HydrophobicContact CD1-CD1 3.77Å; L850-I879 HydrophobicContact CD2-CD1 4.01Å; L875-I879 HydrophobicContact CD1-CD1 4.19Å; L875-I879 HydrophobicContact CD1-CG1 4.47Å; L875-I879 HydrophobicContact CG-CD1 4.12Å; L875-I879 WeakPolarHBondContact O-CG1 3.39Å; L875-I879 PolarHBondContact O-N 3.02Å; V876-I879 PolarHBondContact O-N 3.39Å; S877-I879 PolarHBondContact O-N 3.08Å; I879-H881 PolarHBondContact O-N 2.93Å; I879-L882 PolarHBondContact O-N 3.22Å; I879-L882 VanDerWaalsContact O-N 3.14Å; I879-W883 PolarHBondContact O-N 3.04Å
880N94.3Very high94Very high42 Ų4242 Ų4223%0.22523%0.232CC..Hα-helixtrans-56.7-41174.3-76.4-34.2000110.8G842 L845 V876 S877 W883 S884G842-N880 PolarHBondContact O-OD1 3.48Å; L845-N880 WeakPolarHBondContact CB-OD1 3.46Å; L845-N880 PolarHBondContact N-OD1 3.41Å; L845-N880 PolarHBondContact O-ND2 2.01Å; V876-N880 WeakPolarHBondContact O-CB 3.49Å; V876-N880 PolarHBondContact O-N 3.2Å; V876-N880 PolarHBondContact O-ND2 3.38Å; S877-N880 PolarHBondContact O-N 2.91Å; N880-W883 PolarHBondContact O-N 3.41Å; N880-S884 WeakPolarHBondContact O-CB 3.25Å; N880-S884 PolarHBondContact O-N 2.74Å
881H93.7Very high94Very high122 Ų12240.9 Ų40.957%0.56522%0.221SC*.Hα-helixtrans-64.3-45.6175-174.974.4000112.4S877 S878 I879 W883 S884 R885S877-H881 WeakPolarHBondContact O-CB 3.4Å; S877-H881 PolarHBondContact O-N 3.1Å; S878-H881 PolarHBondContact O-N 3.37Å; I879-H881 PolarHBondContact O-N 2.93Å; H881-W883 PolarHBondContact O-N 3.45Å; H881-S884 PolarHBondContact O-N 2.69Å; H881-R885 WeakPolarHBondContact O-CG 3.42Å; H881-R885 PolarHBondContact O-N 3.43Å
882L96.2Very high94.1Very high8 Ų838.2 Ų38.24%0.04221%0.207CC..Hα-helixtrans-59.1-47.2176176.264.9000111.6Y819 R822 A829 P830 L838 S878 I879 S884 R885 C886Y819-L882 HydrophobicContact CD2-CD2 4.26Å; R822-L882 HydrophobicContact CB-CD1 3.94Å; R822-L882 HydrophobicContact CG-CD1 3.69Å; A829-L882 HydrophobicContact CB-CB 4.37Å; A829-L882 HydrophobicContact CB-CD2 3.88Å; P830-L882 HydrophobicContact CB-CD2 3.91Å; P830-L882 HydrophobicContact CG-CD2 4.3Å; L838-L882 HydrophobicContact CD1-CD2 4.16Å; L838-L882 HydrophobicContact CD1-CG 4.38Å; L838-L882 HydrophobicContact CD2-CD2 3.7Å; L838-L882 HydrophobicContact CD2-CG 3.76Å; S878-L882 WeakPolarHBondContact O-CB 3.15Å; S878-L882 PolarHBondContact O-N 3.42Å; I879-L882 PolarHBondContact O-N 3.22Å; I879-L882 VanDerWaalsContact O-N 3.14Å; L882-S884 VanDerWaalsContact C-N 3.34Å; L882-S884 PolarHBondContact O-N 3.02Å; L882-R885 PolarHBondContact O-N 3.2Å; L882-C886 PolarHBondContact O-N 2.83Å; L882-C886 PolarHBondContact O-SG 2.88Å
883W95.2Very high94Very high26 Ų2639 Ų3910%0.09821%0.211CC..Hα-helixtrans-56.6-48.9175.9-178.489.3000110.9L838 M839 G842 Y843 I879 N880 H881 R885 C886 I887 Y991L838-W883 HydrophobicContact CD1-CB 3.97Å; L838-W883 HydrophobicContact CG-CB 4.35Å; M839-W883 HydrophobicContact CE-CG 4.49Å; G842-W883 WeakPolarHBondContact O-CB 3.39Å; Y843-W883 HydrophobicContact CD2-CE3 4.21Å; Y843-W883 AromaticContact CD2-CH2 3.42Å; Y843-W883 HydrophobicContact CD2-CH2 3.42Å; Y843-W883 VanDerWaalsContact CD2-CH2 3.42Å; Y843-W883 HydrophobicContact CD2-CZ2 4.08Å; Y843-W883 AromaticContact CD2-CZ3 3.5Å; Y843-W883 HydrophobicContact CD2-CZ3 3.5Å; Y843-W883 HydrophobicContact CE2-CH2 4.25Å; Y843-W883 HydrophobicContact CE2-CZ3 4.28Å; Y843-W883 HydrophobicContact CG-CH2 4.03Å; Y843-W883 HydrophobicContact CG-CZ2 4.24Å; Y843-W883 HydrophobicContact CG-CZ3 4.38Å; I879-W883 PolarHBondContact O-N 3.04Å; N880-W883 PolarHBondContact O-N 3.41Å; H881-W883 PolarHBondContact O-N 3.45Å; W883-R885 PolarHBondContact O-N 3.3Å; W883-C886 WeakPolarHBondContact O-CB 3.07Å; W883-C886 PolarHBondContact O-N 3.37Å; W883-C886 VanDerWaalsContact O-N 3.16Å; W883-I887 HydrophobicContact CD2-CG1 4.25Å; W883-I887 HydrophobicContact CH2-CB 4.46Å; W883-I887 HydrophobicContact CH2-CG1 4.4Å; W883-I887 HydrophobicContact CH2-CG2 4.3Å; W883-I887 HydrophobicContact CZ2-CB 4.48Å; W883-I887 HydrophobicContact CZ2-CG1 3.94Å; W883-I887 PolarHBondContact O-N 3.21Å; W883-Y991 HydrophobicContact CH2-CE2 4.43Å; W883-Y991 HydrophobicContact CZ2-CE2 4.31Å
884S93.6Very high94Very high60 Ų6038.2 Ų38.242%0.4221%0.207SC..Hα-helixtrans-59.5-41.3177.5179.20000112.5N880 H881 L882 I887 G888N880-S884 WeakPolarHBondContact O-CB 3.25Å; N880-S884 PolarHBondContact O-N 2.74Å; H881-S884 PolarHBondContact O-N 2.69Å; L882-S884 VanDerWaalsContact C-N 3.34Å; L882-S884 PolarHBondContact O-N 3.02Å; S884-I887 PolarHBondContact O-N 3.12Å; S884-G888 WeakPolarHBondContact O-CA 3.47Å; S884-G888 PolarHBondContact O-N 3.45Å
885R94.8Very high94.1Very high54 Ų5434.1 Ų34.120%0.20419%0.186CC..Hα-helixtrans-71.9-29.4176.8-66-58.3-59.2164.42.9113.6D787 R814 W818 H881 L882 W883 P889D787-R885 IonicContact OD2-CZ 3.51Å; D787-R885 IonicContact OD2-NH1 3.41Å; D787-R885 PolarHBondContact OD2-NH1 3.07Å; D787-R885 IonicContact OD2-NH2 3.43Å; D787-R885 PolarHBondContact OD2-NH2 3.2Å; R814-R885 PolarHBondContact NH2-O 3.3Å; W818-R885 HydrophobicContact CZ2-CB 4.02Å; W818-R885 HydrophobicContact CZ2-CG 4.3Å; H881-R885 WeakPolarHBondContact O-CG 3.42Å; H881-R885 PolarHBondContact O-N 3.43Å; L882-R885 PolarHBondContact O-N 3.2Å; W883-R885 PolarHBondContact O-N 3.3Å; R885-P889 WeakPolarHBondContact O-CD 3.29Å
886C94.6Very high94.2Very high0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-65-51.4170.7-78.40000110.3R814 A815 M839 L882 W883R814-C886 PolarHBondContact NH1-O 3.1Å; A815-C886 HydrophobicContact CB-CB 4.08Å; A815-C886 VanDerWaalsContact CB-O 3.25Å; A815-C886 WeakPolarHBondContact CB-O 3.4Å; M839-C886 HydrophobicContact CE-CB 3.79Å; L882-C886 PolarHBondContact O-N 2.83Å; L882-C886 PolarHBondContact O-SG 2.88Å; W883-C886 WeakPolarHBondContact O-CB 3.07Å; W883-C886 PolarHBondContact O-N 3.37Å; W883-C886 VanDerWaalsContact O-N 3.16Å
887I92Very high94.1Very high8 Ų837 Ų374%0.04119%0.194CC..Hα-helixtrans-85.8-52.4-170.1-65.8-59.8000113.1M839 W883 S884 G890 M988 Y991 F992M839-I887 HydrophobicContact CE-CD1 4.48Å; M839-I887 HydrophobicContact CE-CG1 4.42Å; M839-I887 HydrophobicContact SD-CD1 3.58Å; M839-I887 VanDerWaalsContact SD-CD1 3.58Å; M839-I887 HydrophobicContact SD-CG1 4.11Å; W883-I887 HydrophobicContact CD2-CG1 4.25Å; W883-I887 HydrophobicContact CH2-CB 4.46Å; W883-I887 HydrophobicContact CH2-CG1 4.4Å; W883-I887 HydrophobicContact CH2-CG2 4.3Å; W883-I887 HydrophobicContact CZ2-CB 4.48Å; W883-I887 HydrophobicContact CZ2-CG1 3.94Å; W883-I887 PolarHBondContact O-N 3.21Å; S884-I887 PolarHBondContact O-N 3.12Å; I887-G890 WeakPolarHBondContact O-CA 3.33Å; I887-G890 PolarHBondContact O-N 3.21Å; I887-M988 HydrophobicContact CD1-CE 4.04Å; I887-Y991 HydrophobicContact CG2-CD1 4.1Å; I887-Y991 HydrophobicContact CG2-CE1 3.17Å; I887-Y991 VanDerWaalsContact CG2-CZ 3.49Å; I887-Y991 WeakPolarHBondContact CG2-OH 3.46Å; I887-F992 HydrophobicContact CD1-CE2 4.03Å; I887-F992 HydrophobicContact CD1-CZ 3.75Å; I887-F992 HydrophobicContact CG2-CE1 4.37Å; I887-F992 HydrophobicContact CG2-CZ 4.28Å
888G91.4Very high94Very high20 Ų2035.6 Ų35.621%0.20618%0.181CC..G310 helixtrans-48.5-60.4-16800000113.5S884 G890 N891 Y895S884-G888 WeakPolarHBondContact O-CA 3.47Å; S884-G888 PolarHBondContact O-N 3.45Å; G888-G890 PolarHBondContact O-N 3.42Å; G888-N891 WeakPolarHBondContact O-CB 3.36Å; G888-N891 PolarHBondContact O-N 3.15Å; G888-Y895 VanDerWaalsContact O-CE2 3.3Å; G888-Y895 WeakPolarHBondContact O-CE2 3.46Å; G888-Y895 PolarHBondContact O-OH 3.13Å
889P93.7Very high94.1Very high3 Ų332.7 Ų32.72%0.01916%0.161CC..G310 helixtrans-69.5-0.5-177.3-13.728.1000114.5D787 R814 R885 Y892D787-P889 HydrophobicContact CB-CB 3.97Å; D787-P889 HydrophobicContact CB-CG 4.24Å; D787-P889 WeakPolarHBondContact OD2-CG 3.43Å; R814-P889 VanDerWaalsContact CZ-CB 3.48Å; R814-P889 VanDerWaalsContact NH2-CB 3.34Å; R814-P889 VanDerWaalsContact NH2-CG 3.27Å; R885-P889 WeakPolarHBondContact O-CD 3.29Å; P889-Y892 WeakPolarHBondContact O-CD1 3.42Å; P889-Y892 WeakPolarHBondContact O-CE1 3.33Å
890G93.5Very high94Very high0 Ų034.1 Ų34.10%017%0.168CC..G310 helixtrans-80.9-13.4167.900000113.7I887 G888 Y892I887-G890 WeakPolarHBondContact O-CA 3.33Å; I887-G890 PolarHBondContact O-N 3.21Å; G888-G890 PolarHBondContact O-N 3.42Å; G890-Y892 PolarHBondContact O-N 2.91Å
891N93.2Very high93.8Very high44 Ų4437.1 Ų37.124%0.23519%0.188CC..  trans-77.567.1173.7-169.90.7000111.4G888 E893 Q894 Y895 A995G888-N891 WeakPolarHBondContact O-CB 3.36Å; G888-N891 PolarHBondContact O-N 3.15Å; N891-E893 VanDerWaalsContact C-N 3.27Å; N891-E893 PolarHBondContact O-N 3.31Å; N891-Q894 PolarHBondContact ND2-OE1 3.38Å; N891-Q894 PolarHBondContact O-N 2.76Å; N891-Y895 HydrophobicContact CB-CE2 4.31Å; N891-Y895 WeakPolarHBondContact O-CD2 3.43Å; N891-Y895 WeakPolarHBondContact O-CE2 3.31Å; N891-A995 WeakPolarHBondContact OD1-CB 3.38Å
892Y95.2Very high93.8Very high2 Ų235.6 Ų35.61%0.00818%0.178CC..Hα-helixtrans-59.9-35.2-170.4-57.9-39.4000113.9P695 F786 L808 R809 P811 P889 G890 Q894 Y895 L896 L999 W1023P695-Y892 HydrophobicContact CG-CD1 4.37Å; P695-Y892 HydrophobicContact CG-CE1 3.75Å; F786-Y892 AromaticContact CE1-CD1 3.82Å; F786-Y892 HydrophobicContact CE1-CD1 3.82Å; F786-Y892 HydrophobicContact CE1-CE1 4.45Å; F786-Y892 AromaticContact CZ-CD1 3.86Å; F786-Y892 HydrophobicContact CZ-CD1 3.86Å; L808-Y892 HydrophobicContact CB-CE2 4.37Å; L808-Y892 HydrophobicContact CD1-CD2 4.26Å; L808-Y892 HydrophobicContact CD1-CG 4.39Å; L808-Y892 HydrophobicContact CD2-CD1 3.77Å; L808-Y892 HydrophobicContact CD2-CD2 4.07Å; L808-Y892 HydrophobicContact CD2-CE1 4.01Å; L808-Y892 HydrophobicContact CD2-CE2 4.28Å; L808-Y892 HydrophobicContact CD2-CG 3.8Å; R809-Y892 WeakPolarHBondContact O-CE2 3.33Å; R809-Y892 PolarHBondContact O-OH 2.81Å; P811-Y892 HydrophobicContact CB-CE2 4.25Å; P889-Y892 WeakPolarHBondContact O-CD1 3.42Å; P889-Y892 WeakPolarHBondContact O-CE1 3.33Å; G890-Y892 PolarHBondContact O-N 2.91Å; Y892-Q894 PolarHBondContact O-N 3.44Å; Y892-Y895 PolarHBondContact O-N 2.74Å; Y892-L896 WeakPolarHBondContact O-CB 3.48Å; Y892-L896 VanDerWaalsContact O-CG 3.26Å; Y892-L896 WeakPolarHBondContact O-CG 3.43Å; Y892-L896 PolarHBondContact O-N 3.08Å; Y892-L999 HydrophobicContact CD2-CD2 4.12Å; Y892-W1023 HydrophobicContact CD2-CH2 4.11Å; Y892-W1023 AromaticContact CD2-CZ3 3.98Å; Y892-W1023 HydrophobicContact CD2-CZ3 3.98Å; Y892-W1023 AromaticContact CE2-CH2 3.91Å; Y892-W1023 HydrophobicContact CE2-CH2 3.91Å; Y892-W1023 AromaticContact CE2-CZ3 3.89Å; Y892-W1023 HydrophobicContact CE2-CZ3 3.89Å
893E92.6Very high93.7Very high16 Ų1635.4 Ų35.48%0.07518%0.177CC..Hα-helixtrans-60.5-47.8-178-173.6-99.9-16800112.2N891 Y895 L896 R897 K998 L999 L1002N891-E893 VanDerWaalsContact C-N 3.27Å; N891-E893 PolarHBondContact O-N 3.31Å; E893-Y895 VanDerWaalsContact C-N 3.34Å; E893-Y895 PolarHBondContact O-N 3.44Å; E893-L896 PolarHBondContact O-N 3.33Å; E893-R897 WeakPolarHBondContact O-CG 3.42Å; E893-R897 PolarHBondContact O-N 3.19Å; E893-R897 IonicContact OE1-CZ 3.35Å; E893-R897 IonicContact OE1-NE 3.28Å; E893-R897 PolarHBondContact OE1-NE 3.18Å; E893-R897 IonicContact OE1-NH2 3.09Å; E893-R897 PolarHBondContact OE1-NH2 3.46Å; E893-K998 HydrophobicContact CB-CB 4.24Å; E893-K998 HydrophobicContact CG-CB 3.74Å; E893-L999 HydrophobicContact CB-CB 4Å; E893-L999 HydrophobicContact CB-CD1 4.44Å; E893-L1002 HydrophobicContact CG-CB 4.31Å; E893-L1002 HydrophobicContact CG-CD2 4.18Å
894Q92.6Very high93.6Very high106 Ų10637.3 Ų37.350%0.49519%0.193SC..Hα-helixtrans-58.3-47.2-179.6179-176.2-13.500111.2N891 Y892 R897 N898N891-Q894 PolarHBondContact ND2-OE1 3.38Å; N891-Q894 PolarHBondContact O-N 2.76Å; Y892-Q894 PolarHBondContact O-N 3.44Å; Q894-R897 PolarHBondContact O-N 3.07Å; Q894-N898 PolarHBondContact O-N 3.34Å
895Y96.2Very high93.5Very high39 Ų3935.8 Ų35.815%0.15318%0.183CC..Hα-helixtrans-70.3-42.2-179.2-59.1-63.9000111.9F786 D787 G888 N891 Y892 E893 R897 N898 W899F786-Y895 HydrophobicContact CD1-CD2 4.2Å; F786-Y895 HydrophobicContact CD1-CG 4.3Å; F786-Y895 AromaticContact CE1-CD2 3.65Å; F786-Y895 HydrophobicContact CE1-CD2 3.65Å; F786-Y895 AromaticContact CE1-CG 3.97Å; F786-Y895 HydrophobicContact CE1-CG 3.97Å; F786-Y895 HydrophobicContact CZ-CD2 4.43Å; D787-Y895 HydrophobicContact CB-CD1 4.09Å; D787-Y895 HydrophobicContact CB-CD2 4.48Å; D787-Y895 HydrophobicContact CB-CE1 3.68Å; D787-Y895 HydrophobicContact CB-CE2 4.15Å; D787-Y895 HydrophobicContact CB-CG 4.46Å; G888-Y895 VanDerWaalsContact O-CE2 3.3Å; G888-Y895 WeakPolarHBondContact O-CE2 3.46Å; G888-Y895 PolarHBondContact O-OH 3.13Å; N891-Y895 HydrophobicContact CB-CE2 4.31Å; N891-Y895 WeakPolarHBondContact O-CD2 3.43Å; N891-Y895 WeakPolarHBondContact O-CE2 3.31Å; Y892-Y895 PolarHBondContact O-N 2.74Å; E893-Y895 VanDerWaalsContact C-N 3.34Å; E893-Y895 PolarHBondContact O-N 3.44Å; Y895-R897 VanDerWaalsContact C-N 3.28Å; Y895-R897 PolarHBondContact O-N 3.15Å; Y895-N898 WeakPolarHBondContact O-CA 3.26Å; Y895-N898 WeakPolarHBondContact O-CB 3.29Å; Y895-N898 PolarHBondContact O-N 2.65Å; Y895-W899 PolarHBondContact O-N 3.23Å
896L95.5Very high93.3Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-61.2-37176.5-73.8172.7000111.9F786 L808 Y892 E893 N898 W899 L900 L908 L910 L999 L1002F786-L896 HydrophobicContact CE2-CD2 4.15Å; F786-L896 HydrophobicContact CE2-CG 4.37Å; F786-L896 HydrophobicContact CZ-CG 4.48Å; L808-L896 HydrophobicContact CD1-CD1 4.36Å; Y892-L896 WeakPolarHBondContact O-CB 3.48Å; Y892-L896 VanDerWaalsContact O-CG 3.26Å; Y892-L896 WeakPolarHBondContact O-CG 3.43Å; Y892-L896 PolarHBondContact O-N 3.08Å; E893-L896 PolarHBondContact O-N 3.33Å; L896-N898 VanDerWaalsContact C-N 3.35Å; L896-W899 PolarHBondContact O-N 3.2Å; L896-L900 WeakPolarHBondContact O-CB 3.17Å; L896-L900 WeakPolarHBondContact O-CG 3.15Å; L896-L900 PolarHBondContact O-N 3.08Å; L896-L908 HydrophobicContact CD2-CD2 4.31Å; L896-L910 HydrophobicContact CD1-CD1 4.16Å; L896-L910 HydrophobicContact CD2-CD2 3.81Å; L896-L999 HydrophobicContact CD1-CD1 3.66Å; L896-L1002 HydrophobicContact CB-CD2 3.88Å
897R92.3Very high93.3Very high89 Ų8939.4 Ų39.434%0.33621%0.213SC..Hα-helixtrans-61.3-42.7171.3-77.5-166.5-177-13414.7112.8E141 E893 Q894 Y895 W899 L900 T901 L1002E141-R897 IonicContact OE1-CZ 3.32Å; E141-R897 IonicContact OE1-NH1 3.02Å; E141-R897 PolarHBondContact OE1-NH1 3.4Å; E141-R897 IonicContact OE1-NH2 2.76Å; E141-R897 IonicContact OE2-NH1 3.88Å; E893-R897 WeakPolarHBondContact O-CG 3.42Å; E893-R897 PolarHBondContact O-N 3.19Å; E893-R897 IonicContact OE1-CZ 3.35Å; E893-R897 IonicContact OE1-NE 3.28Å; E893-R897 PolarHBondContact OE1-NE 3.18Å; E893-R897 IonicContact OE1-NH2 3.09Å; E893-R897 PolarHBondContact OE1-NH2 3.46Å; Q894-R897 PolarHBondContact O-N 3.07Å; Y895-R897 VanDerWaalsContact C-N 3.28Å; Y895-R897 PolarHBondContact O-N 3.15Å; R897-W899 VanDerWaalsContact C-N 3.34Å; R897-W899 PolarHBondContact O-N 3.36Å; R897-L900 PolarHBondContact O-N 3.27Å; R897-T901 PolarHBondContact O-N 3.2Å; R897-T901 PolarHBondContact O-OG1 3.43Å; R897-L1002 HydrophobicContact CG-CD1 4.09Å; R897-L1002 HydrophobicContact CG-CD2 4.2Å
898N93.5Very high93.5Very high47 Ų4739.4 Ų39.425%0.25121%0.213SC..Hα-helixtrans-58.5-48.3174.9-168.231.7000110.4Q894 Y895 L896 L900 T901 Y902Q894-N898 PolarHBondContact O-N 3.34Å; Y895-N898 WeakPolarHBondContact O-CA 3.26Å; Y895-N898 WeakPolarHBondContact O-CB 3.29Å; Y895-N898 PolarHBondContact O-N 2.65Å; L896-N898 VanDerWaalsContact C-N 3.35Å; N898-L900 PolarHBondContact O-N 2.98Å; N898-T901 WeakPolarHBondContact O-CB 3.33Å; N898-T901 PolarHBondContact O-N 3.04Å; N898-T901 VanDerWaalsContact O-N 3.1Å; N898-T901 PolarHBondContact O-OG1 3.01Å; N898-Y902 VanDerWaalsContact O-CD2 3.28Å; N898-Y902 WeakPolarHBondContact O-CD2 3.48Å
899W96.7Very high93.6Very high0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-59.8-43175.6-74102000113.3I693 Y785 F786 P792 I795 L804 Y895 L896 R897 T901 Y902 F903 L908I693-W899 HydrophobicContact CB-CH2 4.35Å; I693-W899 HydrophobicContact CB-CZ2 4.17Å; I693-W899 HydrophobicContact CD1-CD2 3.76Å; I693-W899 VanDerWaalsContact CD1-CE2 3.43Å; I693-W899 HydrophobicContact CD1-CE3 4.16Å; I693-W899 HydrophobicContact CD1-CG 4.3Å; I693-W899 HydrophobicContact CD1-CH2 3.96Å; I693-W899 HydrophobicContact CD1-CZ2 3.56Å; I693-W899 HydrophobicContact CD1-CZ3 4.25Å; I693-W899 HydrophobicContact CG1-CZ2 4.46Å; I693-W899 HydrophobicContact CG2-CH2 3.87Å; I693-W899 HydrophobicContact CG2-CZ2 4.2Å; I693-W899 HydrophobicContact CG2-CZ3 4.49Å; Y785-W899 WeakPolarHBondContact O-CZ2 3.48Å; F786-W899 PolarHBondContact O-NE1 3.35Å; P792-W899 HydrophobicContact CB-CD2 4.2Å; P792-W899 HydrophobicContact CB-CE3 3.87Å; P792-W899 HydrophobicContact CB-CZ3 4.06Å; P792-W899 HydrophobicContact CG-CD2 3.73Å; P792-W899 HydrophobicContact CG-CE3 3.87Å; P792-W899 HydrophobicContact CG-CG 4.32Å; P792-W899 HydrophobicContact CG-CH2 4.1Å; P792-W899 HydrophobicContact CG-CZ2 3.94Å; P792-W899 HydrophobicContact CG-CZ3 4.06Å; I795-W899 HydrophobicContact CD1-CH2 3.71Å; I795-W899 HydrophobicContact CD1-CZ3 4.05Å; L804-W899 HydrophobicContact CD1-CD2 4.37Å; L804-W899 HydrophobicContact CD1-CE3 3.43Å; L804-W899 VanDerWaalsContact CD1-CE3 3.43Å; L804-W899 HydrophobicContact CD1-CZ3 3.62Å; L804-W899 HydrophobicContact CD2-CZ3 4.25Å; Y895-W899 PolarHBondContact O-N 3.23Å; L896-W899 PolarHBondContact O-N 3.2Å; R897-W899 VanDerWaalsContact C-N 3.34Å; R897-W899 PolarHBondContact O-N 3.36Å; W899-T901 PolarHBondContact O-N 3.22Å; W899-Y902 PolarHBondContact O-N 3.06Å; W899-F903 AromaticContact CE3-CD2 3.9Å; W899-F903 HydrophobicContact CE3-CD2 3.9Å; W899-F903 AromaticContact CE3-CE2 3.93Å; W899-F903 HydrophobicContact CE3-CE2 3.93Å; W899-F903 HydrophobicContact CZ3-CD2 4.33Å; W899-F903 AromaticContact CZ3-CE2 3.91Å; W899-F903 HydrophobicContact CZ3-CE2 3.91Å; W899-F903 PolarHBondContact O-N 3.41Å; W899-L908 HydrophobicContact CB-CD2 4.1Å
900L93.3Very high93.6Very high31 Ų3138.9 Ų38.916%0.16221%0.206CC..Hα-helixtrans-66.4-14.9177.4-71.4167.4000113.8L896 R897 N898 Y902 F903 A905 L908 L1002 Y1006 L1008L896-L900 WeakPolarHBondContact O-CB 3.17Å; L896-L900 WeakPolarHBondContact O-CG 3.15Å; L896-L900 PolarHBondContact O-N 3.08Å; R897-L900 PolarHBondContact O-N 3.27Å; N898-L900 PolarHBondContact O-N 2.98Å; L900-Y902 VanDerWaalsContact C-N 3.29Å; L900-F903 WeakPolarHBondContact CA-O 3.46Å; L900-A905 HydrophobicContact CD2-CB 4.04Å; L900-L908 HydrophobicContact CD2-CD1 4.38Å; L900-L1002 HydrophobicContact CD1-CD1 4.05Å; L900-L1002 HydrophobicContact CD1-CD2 4.15Å; L900-L1002 HydrophobicContact CD1-CG 4.36Å; L900-Y1006 HydrophobicContact CD1-CD2 3.97Å; L900-Y1006 HydrophobicContact CD1-CE2 4.1Å; L900-Y1006 HydrophobicContact CD1-CG 4.48Å; L900-L1008 HydrophobicContact CD1-CD1 4.17Å; L900-L1008 HydrophobicContact CD2-CD1 4.36Å; L900-L1008 HydrophobicContact CD2-CD2 4.41Å
901T89.4Confident93.6Very high104 Ų10439.1 Ų39.164%0.63821%0.207SC*.Hα-helixtrans-71.2-28.6172.5-56.90000111.4R897 N898 W899R897-T901 PolarHBondContact O-N 3.2Å; R897-T901 PolarHBondContact O-OG1 3.43Å; N898-T901 WeakPolarHBondContact O-CB 3.33Å; N898-T901 PolarHBondContact O-N 3.04Å; N898-T901 VanDerWaalsContact O-N 3.1Å; N898-T901 PolarHBondContact O-OG1 3.01Å; W899-T901 PolarHBondContact O-N 3.22Å
902Y93.7Very high93.5Very high91 Ų9137.7 Ų37.736%0.35720%0.199SC..Hα-helixtrans-107.9-29.2-176.2-63.6-87.1000113.4P792 A793 Q796 N898 W899 L900P792-Y902 HydrophobicContact CB-CD2 3.42Å; P792-Y902 VanDerWaalsContact CB-CD2 3.42Å; P792-Y902 HydrophobicContact CB-CE2 3.91Å; P792-Y902 HydrophobicContact CB-CG 3.98Å; A793-Y902 HydrophobicContact CB-CD1 4.23Å; A793-Y902 HydrophobicContact CB-CE1 3.56Å; Q796-Y902 HydrophobicContact CB-CD1 4.34Å; N898-Y902 VanDerWaalsContact O-CD2 3.28Å; N898-Y902 WeakPolarHBondContact O-CD2 3.48Å; W899-Y902 PolarHBondContact O-N 3.06Å; L900-Y902 VanDerWaalsContact C-N 3.29Å
903F95.1Very high93.4Very high3 Ų337.6 Ų37.61%0.01320%0.199CC..SBendtrans-125.3135.9-175.2-64.2-83.6000111.5I795 Q796 V802 L804 W899 L900 L908I795-F903 HydrophobicContact CB-CZ 4.19Å; I795-F903 HydrophobicContact CG2-CE2 4.49Å; I795-F903 HydrophobicContact CG2-CZ 3.77Å; Q796-F903 HydrophobicContact CB-CE1 4.17Å; Q796-F903 HydrophobicContact CB-CE2 3.94Å; Q796-F903 HydrophobicContact CB-CZ 3.58Å; Q796-F903 HydrophobicContact CG-CE1 4.41Å; Q796-F903 HydrophobicContact CG-CZ 4.27Å; V802-F903 HydrophobicContact CG1-CE1 3.77Å; V802-F903 HydrophobicContact CG1-CZ 4.13Å; L804-F903 HydrophobicContact CD1-CB 4.33Å; L804-F903 HydrophobicContact CD1-CD1 4.3Å; L804-F903 HydrophobicContact CD1-CD2 3.66Å; L804-F903 HydrophobicContact CD1-CE2 3.97Å; L804-F903 HydrophobicContact CD1-CG 3.83Å; L804-F903 HydrophobicContact CD1-CZ 4.41Å; W899-F903 AromaticContact CE3-CD2 3.9Å; W899-F903 HydrophobicContact CE3-CD2 3.9Å; W899-F903 AromaticContact CE3-CE2 3.93Å; W899-F903 HydrophobicContact CE3-CE2 3.93Å; W899-F903 HydrophobicContact CZ3-CD2 4.33Å; W899-F903 AromaticContact CZ3-CE2 3.91Å; W899-F903 HydrophobicContact CZ3-CE2 3.91Å; W899-F903 PolarHBondContact O-N 3.41Å; L900-F903 WeakPolarHBondContact CA-O 3.46Å; F903-L908 HydrophobicContact CB-CD1 3.8Å
904P92.7Very high93.3Very high67 Ų6737.9 Ų37.944%0.43520%0.201SC..  trans-63.7150171.230.1-35.7000110.6S906 Q907 L908P904-S906 PolarHBondContact O-N 3.34Å; P904-Q907 HydrophobicContact CG-CB 4.43Å; P904-Q907 HydrophobicContact CG-CG 4.07Å; P904-Q907 PolarHBondContact O-N 3.33Å; P904-L908 VanDerWaalsContact O-CD1 3.31Å; P904-L908 WeakPolarHBondContact O-CD1 3.44Å
905A91.4Very high93.2Very high27 Ų2737.1 Ų37.122%0.22320%0.196CC..G310 helixtrans-53.5-29.9179.500000113.7L900 Q907 L908 Y1006 L1008L900-A905 HydrophobicContact CD2-CB 4.04Å; A905-Q907 PolarHBondContact O-N 3.1Å; A905-L908 PolarHBondContact O-N 3.43Å; A905-L908 VanDerWaalsContact O-N 3.12Å; A905-Y1006 HydrophobicContact CB-CD1 3.98Å; A905-Y1006 HydrophobicContact CB-CG 4.45Å; A905-L1008 HydrophobicContact CB-CD2 3.51Å; A905-L1008 HydrophobicContact CB-CG 4.24Å; A905-L1008 WeakPolarHBondContact O-CD2 3.25Å
906S90.9Very high93Very high97 Ų9735.6 Ų35.668%0.67819%0.191SC*.G310 helixtrans-64.6-19.2177.254.10000114.5P904P904-S906 PolarHBondContact O-N 3.34Å
907Q95.1Very high92.8Very high33 Ų3338.4 Ų38.415%0.15421%0.21CC..G310 helixtrans-91.9-2176-74.9176.3-103.800113P800 E801 V802 L804 P904 A905P800-Q907 PolarHBondContact O-NE2 2.86Å; E801-Q907 PolarHBondContact O-NE2 3.39Å; V802-Q907 PolarHBondContact O-NE2 3.25Å; L804-Q907 PolarHBondContact N-O 3.42Å; P904-Q907 HydrophobicContact CG-CB 4.43Å; P904-Q907 HydrophobicContact CG-CG 4.07Å; P904-Q907 PolarHBondContact O-N 3.33Å; A905-Q907 PolarHBondContact O-N 3.1Å
908L94.9Very high92.7Very high8 Ų843 Ų434%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-110.6128.2179.3-73.686.5000111.2L804 L896 W899 L900 F903 P904 A905 L1008L804-L908 HydrophobicContact CB-CG 4.34Å; L804-L908 HydrophobicContact CD1-CG 4.37Å; L804-L908 CarbonylContact O-C 3.22Å; L804-L908 WeakPolarHBondContact O-CA 3.47Å; L896-L908 HydrophobicContact CD2-CD2 4.31Å; W899-L908 HydrophobicContact CB-CD2 4.1Å; L900-L908 HydrophobicContact CD2-CD1 4.38Å; F903-L908 HydrophobicContact CB-CD1 3.8Å; P904-L908 VanDerWaalsContact O-CD1 3.31Å; P904-L908 WeakPolarHBondContact O-CD1 3.44Å; A905-L908 PolarHBondContact O-N 3.43Å; A905-L908 VanDerWaalsContact O-N 3.12Å; L908-L1008 HydrophobicContact CB-CD2 3.86Å
909L94.4Very high92.6Very high5 Ų544.6 Ų44.63%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-110.5115.4169.4177.166000110.1L804 I805 V806 L911 I926 V927 F930L804-L909 PolarHBondContact O-N 3.09Å; I805-L909 HydrophobicContact CG1-CB 4.42Å; I805-L909 HydrophobicContact CG1-CD2 4.43Å; V806-L909 PolarHBondContact N-O 3.26Å; L909-L911 HydrophobicContact CD1-CD2 4.1Å; L909-L911 HydrophobicContact CD2-CD1 4.45Å; L909-L911 HydrophobicContact CD2-CD2 3.82Å; L909-L911 HydrophobicContact CD2-CG 4.26Å; L909-L911 HydrophobicContact CG-CD2 3.78Å; L909-L911 HydrophobicContact CG-CG 4.13Å; L909-I926 HydrophobicContact CD1-CG2 3.99Å; L909-I926 HydrophobicContact CD2-CG2 4.36Å; L909-V927 HydrophobicContact CD2-CG2 4.22Å; L909-F930 HydrophobicContact CB-CD1 3.62Å; L909-F930 HydrophobicContact CB-CD2 4Å; L909-F930 HydrophobicContact CB-CE1 3.48Å; L909-F930 VanDerWaalsContact CB-CE1 3.48Å; L909-F930 HydrophobicContact CB-CE2 3.91Å; L909-F930 HydrophobicContact CB-CG 3.86Å; L909-F930 HydrophobicContact CB-CZ 3.65Å; L909-F930 HydrophobicContact CD2-CB 3.73Å; L909-F930 HydrophobicContact CD2-CD1 3.63Å; L909-F930 HydrophobicContact CD2-CE1 4.34Å; L909-F930 HydrophobicContact CD2-CG 3.72Å; L909-F930 HydrophobicContact CG-CD1 4.23Å; L909-F930 HydrophobicContact CG-CG 4.24Å
910L94.1Very high92.5Very high8 Ų844.6 Ų44.64%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-92.8129.6171.9-54.8-172.9000110.6V806 L808 L896 L1003 L1008 W1009V806-L910 HydrophobicContact CB-CD2 3.62Å; V806-L910 HydrophobicContact CG1-CD2 4.15Å; V806-L910 HydrophobicContact CG2-CD2 3.91Å; L808-L910 HydrophobicContact CD1-CD1 4.49Å; L896-L910 HydrophobicContact CD1-CD1 4.16Å; L896-L910 HydrophobicContact CD2-CD2 3.81Å; L910-L1003 HydrophobicContact CD1-CD2 3.52Å; L910-L1008 HydrophobicContact CD1-CB 3.7Å; L910-L1008 HydrophobicContact CD1-CD1 4.25Å; L910-L1008 HydrophobicContact CG-CB 4.02Å; L910-W1009 HydrophobicContact CB-CE3 3.64Å; L910-W1009 HydrophobicContact CB-CZ3 3.8Å; L910-W1009 HydrophobicContact CD1-CE3 4.02Å; L910-W1009 HydrophobicContact CD1-CZ3 4.42Å; L910-W1009 HydrophobicContact CG-CE3 4.5Å
911L93.3Very high92.6Very high5 Ų544.9 Ų44.93%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-118.6144.5179.9-59.2178.8000110.9L703 I805 V806 L807 L808 L909 A913 I923 V927L703-L911 HydrophobicContact CD2-CD1 4.12Å; I805-L911 HydrophobicContact CG2-CD1 3.64Å; I805-L911 HydrophobicContact CG2-CG 4.26Å; V806-L911 PolarHBondContact O-N 3.48Å; L807-L911 WeakPolarHBondContact CA-O 3.06Å; L807-L911 HydrophobicContact CG-CB 4.17Å; L807-L911 HydrophobicContact CG-CD1 4.25Å; L808-L911 PolarHBondContact N-O 2.8Å; L909-L911 HydrophobicContact CD1-CD2 4.1Å; L909-L911 HydrophobicContact CD2-CD1 4.45Å; L909-L911 HydrophobicContact CD2-CD2 3.82Å; L909-L911 HydrophobicContact CD2-CG 4.26Å; L909-L911 HydrophobicContact CG-CD2 3.78Å; L909-L911 HydrophobicContact CG-CG 4.13Å; L911-A913 PolarHBondContact O-N 2.99Å; L911-I923 HydrophobicContact CD1-CG2 3.95Å; L911-I923 HydrophobicContact CD2-CG2 4.03Å; L911-I923 HydrophobicContact CG-CG2 4.41Å; L911-V927 HydrophobicContact CD1-CG2 3.63Å; L911-V927 HydrophobicContact CD2-CG2 4.38Å
912D91.5Very high92.7Very high13 Ų1343 Ų437%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-82.3108.6172.3-174.3-30000109.8D914 K915 F916 W1009D912-D914 VanDerWaalsContact C-N 3.26Å; D912-D914 PolarHBondContact O-N 2.78Å; D912-D914 WeakPolarHBondContact OD1-CA 3.48Å; D912-D914 WeakPolarHBondContact OD1-CB 3.42Å; D912-D914 PolarHBondContact OD1-N 3.4Å; D912-K915 HydrophobicContact CB-CB 3.96Å; D912-K915 HydrophobicContact CB-CD 3.99Å; D912-K915 HydrophobicContact CB-CG 4.09Å; D912-K915 PolarHBondContact O-N 3.37Å; D912-K915 PolarHBondContact OD1-N 3.12Å; D912-K915 WeakPolarHBondContact OD2-CD 3.37Å; D912-K915 VanDerWaalsContact OD2-CE 3.29Å; D912-K915 WeakPolarHBondContact OD2-CE 3.11Å; D912-K915 WeakPolarHBondContact OD2-CG 3.18Å; D912-F916 WeakPolarHBondContact O-CB 3.46Å; D912-F916 PolarHBondContact O-N 3.16Å; D912-W1009 HydrophobicContact CB-CH2 4.19Å; D912-W1009 HydrophobicContact CB-CZ2 3.84Å
913A92.9Very high92.6Very high1 Ų139.3 Ų39.31%0.00821%0.214CC..Hα-helixtrans-64-30.2-18000000112.9T698 L807 L808 R809 L911 S917T698-A913 VanDerWaalsContact O-CB 3.28Å; T698-A913 WeakPolarHBondContact O-CB 3.46Å; L807-A913 HydrophobicContact CB-CB 4.36Å; L808-A913 WeakPolarHBondContact O-CB 3.42Å; L808-A913 PolarHBondContact O-N 3.48Å; R809-A913 HydrophobicContact CB-CB 3.87Å; R809-A913 HydrophobicContact CG-CB 4.45Å; L911-A913 PolarHBondContact O-N 2.99Å; A913-S917 WeakPolarHBondContact O-CB 3.42Å; A913-S917 PolarHBondContact O-N 3.15Å; A913-S917 PolarHBondContact O-OG 2.98Å
914D89.7Confident92.6Very high21 Ų2139.1 Ų39.111%0.11221%0.214CC..Hα-helixtrans-74.7-42.6-179.7-61.6-40.8000110.2R809 D912 S917 R918R809-D914 IonicContact NE-OD1 3.55Å; D912-D914 VanDerWaalsContact C-N 3.26Å; D912-D914 PolarHBondContact O-N 2.78Å; D912-D914 WeakPolarHBondContact OD1-CA 3.48Å; D912-D914 WeakPolarHBondContact OD1-CB 3.42Å; D912-D914 PolarHBondContact OD1-N 3.4Å; D914-S917 PolarHBondContact O-N 3.2Å; D914-R918 WeakPolarHBondContact O-CB 3.48Å; D914-R918 VanDerWaalsContact O-CG 3.3Å; D914-R918 WeakPolarHBondContact O-CG 3.41Å; D914-R918 PolarHBondContact O-N 2.98Å; D914-R918 VanDerWaalsContact O-N 3.07Å
915K90.1Very high92.6Very high91 Ų9141.6 Ų41.640%0.39622%0.218SC..Hα-helixtrans-63.2-44.2170.9-71.7179.2-171.7175.70111.4D912 S917 R918 N919 I923D912-K915 HydrophobicContact CB-CB 3.96Å; D912-K915 HydrophobicContact CB-CD 3.99Å; D912-K915 HydrophobicContact CB-CG 4.09Å; D912-K915 PolarHBondContact O-N 3.37Å; D912-K915 PolarHBondContact OD1-N 3.12Å; D912-K915 WeakPolarHBondContact OD2-CD 3.37Å; D912-K915 VanDerWaalsContact OD2-CE 3.29Å; D912-K915 WeakPolarHBondContact OD2-CE 3.11Å; D912-K915 WeakPolarHBondContact OD2-CG 3.18Å; K915-S917 VanDerWaalsContact C-N 3.31Å; K915-S917 PolarHBondContact O-N 3.32Å; K915-R918 PolarHBondContact O-N 2.02Å; K915-N919 CarbonylContact O-C 3.59Å; K915-N919 PolarHBondContact O-N 2.8Å; K915-I923 HydrophobicContact CB-CD1 4.4Å
916F92.9Very high92.6Very high7 Ų740.9 Ų40.93%0.03121%0.21CC..Hα-helixtrans-58.7-42.7177.2177.2-111.6000112.1A702 L703 F706 L807 D912 P920 I923 M924A702-F916 HydrophobicContact CB-CE1 3.98Å; A702-F916 HydrophobicContact CB-CZ 4.28Å; L703-F916 HydrophobicContact CB-CE1 4.29Å; L703-F916 HydrophobicContact CB-CZ 3.9Å; L703-F916 HydrophobicContact CD1-CE2 4.15Å; L703-F916 HydrophobicContact CD1-CZ 4.3Å; F706-F916 AromaticContact CD2-CE2 3.73Å; F706-F916 HydrophobicContact CD2-CE2 3.73Å; F706-F916 AromaticContact CD2-CZ 3.5Å; F706-F916 HydrophobicContact CD2-CZ 3.5Å; F706-F916 HydrophobicContact CE2-CE1 4.35Å; F706-F916 AromaticContact CE2-CE2 3.9Å; F706-F916 HydrophobicContact CE2-CE2 3.9Å; F706-F916 AromaticContact CE2-CZ 3.5Å; F706-F916 HydrophobicContact CE2-CZ 3.5Å; F706-F916 VanDerWaalsContact CE2-CZ 3.5Å; L807-F916 HydrophobicContact CD2-CD1 3.89Å; L807-F916 HydrophobicContact CD2-CE1 4.24Å; L807-F916 HydrophobicContact CD2-CG 4.3Å; D912-F916 WeakPolarHBondContact O-CB 3.46Å; D912-F916 PolarHBondContact O-N 3.16Å; F916-P920 HydrophobicContact CD2-CB 3.83Å; F916-P920 HydrophobicContact CE2-CB 3.72Å; F916-P920 HydrophobicContact CZ-CB 4.5Å; F916-P920 WeakPolarHBondContact O-CA 3.36Å; F916-P920 WeakPolarHBondContact O-CB 3.27Å; F916-P920 WeakPolarHBondContact O-CD 3.39Å; F916-I923 HydrophobicContact CB-CG1 4.2Å; F916-I923 HydrophobicContact CB-CG2 4.33Å; F916-I923 HydrophobicContact CD2-CB 3.95Å; F916-I923 HydrophobicContact CD2-CG1 4.45Å; F916-I923 HydrophobicContact CD2-CG2 3.7Å; F916-I923 HydrophobicContact CG-CG2 4.4Å; F916-M924 HydrophobicContact CE2-SD 4.05Å
917S90.4Very high92.8Very high58 Ų5836.2 Ų36.241%0.40618%0.177SC..Hα-helixtrans-67.3-36.2178.3-58.60000112.7A913 D914 K915A913-S917 WeakPolarHBondContact O-CB 3.42Å; A913-S917 PolarHBondContact O-N 3.15Å; A913-S917 PolarHBondContact O-OG 2.98Å; D914-S917 PolarHBondContact O-N 3.2Å; K915-S917 VanDerWaalsContact C-N 3.31Å; K915-S917 PolarHBondContact O-N 3.32Å
918R90.6Very high92.8Very high186 Ų18634.8 Ų34.870%0.70217%0.171SC*.Hα-helixtrans-81-38.5-179.6-70.6177.1-165.8141.77.4114D914 K915 F952D914-R918 WeakPolarHBondContact O-CB 3.48Å; D914-R918 VanDerWaalsContact O-CG 3.3Å; D914-R918 WeakPolarHBondContact O-CG 3.41Å; D914-R918 PolarHBondContact O-N 2.98Å; D914-R918 VanDerWaalsContact O-N 3.07Å; K915-R918 PolarHBondContact O-N 2.02Å; R918-F952 WeakPolarHBondContact O-CE2 3.43Å; R918-F952 WeakPolarHBondContact O-CZ 3.31Å
919N92.1Very high92.7Very high80 Ų8037.8 Ų37.843%0.42818%0.184SC..  trans-153.292.6179.1-174.72.9000109.7K915 V921 P922K915-N919 CarbonylContact O-C 3.59Å; K915-N919 PolarHBondContact O-N 2.8Å; N919-V921 VanDerWaalsContact C-N 3.32Å; N919-V921 PolarHBondContact O-N 2.93Å; N919-V921 PolarHBondContact OD1-N 2.86Å; N919-P922 WeakPolarHBondContact O-CD 2.92Å; N919-P922 VanDerWaalsContact OD1-CD 3.27Å; N919-P922 WeakPolarHBondContact OD1-CD 3.4Å
920P94.4Very high92.6Very high0 Ų038.9 Ų38.90%019%0.189CC..Hα-helixtrans-72.2-22.8-176.826.7-33.8000113.4F706 F916 I923 M924 L943 F952F706-P920 HydrophobicContact CD2-CB 4.15Å; F706-P920 HydrophobicContact CE2-CB 3.78Å; F706-P920 HydrophobicContact CE2-CG 4.09Å; F916-P920 HydrophobicContact CD2-CB 3.83Å; F916-P920 HydrophobicContact CE2-CB 3.72Å; F916-P920 HydrophobicContact CZ-CB 4.5Å; F916-P920 WeakPolarHBondContact O-CA 3.36Å; F916-P920 WeakPolarHBondContact O-CB 3.27Å; F916-P920 WeakPolarHBondContact O-CD 3.39Å; P920-I923 WeakPolarHBondContact O-CB 3.33Å; P920-I923 PolarHBondContact O-N 3.4Å; P920-I923 VanDerWaalsContact O-N 3.1Å; P920-M924 WeakPolarHBondContact O-CG 3.4Å; P920-M924 PolarHBondContact O-N 2.83Å; P920-L943 HydrophobicContact CB-CD1 4.03Å; P920-L943 HydrophobicContact CG-CD1 3.69Å; P920-F952 HydrophobicContact CG-CB 3.98Å; P920-F952 HydrophobicContact CG-CD1 3.76Å; P920-F952 HydrophobicContact CG-CD2 3.8Å; P920-F952 HydrophobicContact CG-CE1 4.17Å; P920-F952 HydrophobicContact CG-CE2 4.23Å; P920-F952 HydrophobicContact CG-CG 3.56Å; P920-F952 HydrophobicContact CG-CZ 4.4Å
921V94Very high92.6Very high37 Ų3739 Ų3922%0.22419%0.189CC..Hα-helixtrans-58.5-49.3-170.1176.90000113.1N919 I923 M924 K925N919-V921 VanDerWaalsContact C-N 3.32Å; N919-V921 PolarHBondContact O-N 2.93Å; N919-V921 PolarHBondContact OD1-N 2.86Å; V921-I923 VanDerWaalsContact C-N 3.31Å; V921-I923 PolarHBondContact O-N 3.32Å; V921-M924 PolarHBondContact O-N 2.74Å; V921-K925 PolarHBondContact O-N 3.37Å; V921-K925 VanDerWaalsContact O-N 3.16Å
922P92Very high92.5Very high64 Ų6444.2 Ų44.242%0.41622%0.217SC..Hα-helixtrans-64.1-35.7176.2-22.134.4000113.1N919 K925 I926N919-P922 WeakPolarHBondContact O-CD 2.92Å; N919-P922 VanDerWaalsContact OD1-CD 3.27Å; N919-P922 WeakPolarHBondContact OD1-CD 3.4Å; P922-K925 WeakPolarHBondContact O-CB 3.49Å; P922-K925 PolarHBondContact O-N 3.21Å; P922-I926 WeakPolarHBondContact O-CG1 3.46Å; P922-I926 PolarHBondContact O-N 2.89Å
923I92.3Very high92.4Very high14 Ų1443.9 Ų43.97%0.07222%0.215CC..Hα-helixtrans-67-42178.4-59.4-59.1000110.3L911 K915 F916 P920 V921 K925 I926 V927L911-I923 HydrophobicContact CD1-CG2 3.95Å; L911-I923 HydrophobicContact CD2-CG2 4.03Å; L911-I923 HydrophobicContact CG-CG2 4.41Å; K915-I923 HydrophobicContact CB-CD1 4.4Å; F916-I923 HydrophobicContact CB-CG1 4.2Å; F916-I923 HydrophobicContact CB-CG2 4.33Å; F916-I923 HydrophobicContact CD2-CB 3.95Å; F916-I923 HydrophobicContact CD2-CG1 4.45Å; F916-I923 HydrophobicContact CD2-CG2 3.7Å; F916-I923 HydrophobicContact CG-CG2 4.4Å; P920-I923 WeakPolarHBondContact O-CB 3.33Å; P920-I923 PolarHBondContact O-N 3.4Å; P920-I923 VanDerWaalsContact O-N 3.1Å; V921-I923 VanDerWaalsContact C-N 3.31Å; V921-I923 PolarHBondContact O-N 3.32Å; I923-K925 VanDerWaalsContact C-N 3.29Å; I923-K925 PolarHBondContact O-N 3.18Å; I923-I926 HydrophobicContact CD1-CD1 4.42Å; I923-I926 WeakPolarHBondContact O-CB 3.39Å; I923-I926 PolarHBondContact O-N 3.25Å; I923-I926 VanDerWaalsContact O-N 3.17Å; I923-V927 HydrophobicContact CG2-CG2 4.31Å; I923-V927 VanDerWaalsContact O-CG2 3.24Å; I923-V927 WeakPolarHBondContact O-CG2 3.36Å; I923-V927 PolarHBondContact O-N 3.21Å
924M94.8Very high92.1Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-61.9-37.2175.7-67.7-51.6-63.300112.1L703 F706 L707 F916 P920 V921 I926 V927 Q928 Y939L703-M924 HydrophobicContact CD1-CE 4.21Å; L703-M924 HydrophobicContact CD1-SD 3.53Å; L703-M924 VanDerWaalsContact CD1-SD 3.53Å; F706-M924 HydrophobicContact CB-CE 3.69Å; F706-M924 HydrophobicContact CB-SD 3.82Å; F706-M924 HydrophobicContact CD2-SD 4.14Å; L707-M924 HydrophobicContact CD2-CE 3.69Å; L707-M924 HydrophobicContact CG-CE 3.95Å; F916-M924 HydrophobicContact CE2-SD 4.05Å; P920-M924 WeakPolarHBondContact O-CG 3.4Å; P920-M924 PolarHBondContact O-N 2.83Å; V921-M924 PolarHBondContact O-N 2.74Å; M924-I926 PolarHBondContact O-N 3.37Å; M924-V927 PolarHBondContact O-N 2.99Å; M924-Q928 WeakPolarHBondContact O-CB 3.43Å; M924-Q928 VanDerWaalsContact O-CG 3.27Å; M924-Q928 WeakPolarHBondContact O-CG 3.38Å; M924-Q928 PolarHBondContact O-N 3.11Å; M924-Y939 HydrophobicContact CB-CD1 4.38Å; M924-Y939 HydrophobicContact CB-CD2 3.38Å; M924-Y939 HydrophobicContact CB-CE2 3.75Å; M924-Y939 HydrophobicContact CB-CG 3.72Å; M924-Y939 HydrophobicContact CE-CD1 4.29Å; M924-Y939 HydrophobicContact CE-CD2 4.41Å; M924-Y939 HydrophobicContact CE-CE1 3.69Å; M924-Y939 HydrophobicContact CE-CE2 3.79Å; M924-Y939 WeakPolarHBondContact CE-OH 3.48Å; M924-Y939 HydrophobicContact CG-CD1 4.1Å; M924-Y939 HydrophobicContact CG-CD2 4.01Å; M924-Y939 HydrophobicContact CG-CE1 4.43Å; M924-Y939 HydrophobicContact CG-CE2 4.31Å; M924-Y939 HydrophobicContact CG-CG 3.86Å
925K93.3Very high92Very high119 Ų11953.9 Ų53.952%0.51726%0.258SS..Hα-helixtrans-59-45.7173.1-174.6176.8-179.8176.80112V921 P922 I923 Q928 Q929V921-K925 PolarHBondContact O-N 3.37Å; V921-K925 VanDerWaalsContact O-N 3.16Å; P922-K925 WeakPolarHBondContact O-CB 3.49Å; P922-K925 PolarHBondContact O-N 3.21Å; I923-K925 VanDerWaalsContact C-N 3.29Å; I923-K925 PolarHBondContact O-N 3.18Å; K925-Q928 PolarHBondContact O-N 2.93Å; K925-Q929 WeakPolarHBondContact O-CG 3.31Å; K925-Q929 PolarHBondContact O-N 3.33Å; K925-Q929 VanDerWaalsContact O-N 3.11Å
926I91.9Very high91.9Very high11 Ų1153.8 Ų53.86%0.05626%0.259CS..Hα-helixtrans-63.1-45177.8-64.3162.2000110.8L909 P922 I923 M924 Q928 Q929 F930 L1013 T1014L909-I926 HydrophobicContact CD1-CG2 3.99Å; L909-I926 HydrophobicContact CD2-CG2 4.36Å; P922-I926 WeakPolarHBondContact O-CG1 3.46Å; P922-I926 PolarHBondContact O-N 2.89Å; I923-I926 HydrophobicContact CD1-CD1 4.42Å; I923-I926 WeakPolarHBondContact O-CB 3.39Å; I923-I926 PolarHBondContact O-N 3.25Å; I923-I926 VanDerWaalsContact O-N 3.17Å; M924-I926 PolarHBondContact O-N 3.37Å; I926-Q928 PolarHBondContact O-N 3.05Å; I926-Q929 PolarHBondContact O-N 2.88Å; I926-F930 WeakPolarHBondContact O-CB 3.4Å; I926-F930 PolarHBondContact O-N 3.33Å; I926-L1013 HydrophobicContact CG1-CB 4.07Å; I926-L1013 HydrophobicContact CG2-CB 4.13Å; I926-L1013 HydrophobicContact CG2-CD1 3.98Å; I926-T1014 HydrophobicContact CD1-CG2 3.42Å; I926-T1014 VanDerWaalsContact CD1-CG2 3.42Å
927V94.5Very high91.8Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-60.6-46.8179.21770000110.5L703 L707 I805 L909 L911 I923 M924 Q929 F930 I931L703-V927 HydrophobicContact CD1-CG2 4.16Å; L707-V927 HydrophobicContact CD1-CG1 4.44Å; L707-V927 HydrophobicContact CD2-CG1 3.72Å; I805-V927 HydrophobicContact CD1-CG1 3.87Å; L909-V927 HydrophobicContact CD2-CG2 4.22Å; L911-V927 HydrophobicContact CD1-CG2 3.63Å; L911-V927 HydrophobicContact CD2-CG2 4.38Å; I923-V927 HydrophobicContact CG2-CG2 4.31Å; I923-V927 VanDerWaalsContact O-CG2 3.24Å; I923-V927 WeakPolarHBondContact O-CG2 3.36Å; I923-V927 PolarHBondContact O-N 3.21Å; M924-V927 PolarHBondContact O-N 2.99Å; V927-Q929 VanDerWaalsContact C-N 3.32Å; V927-Q929 PolarHBondContact O-N 3.27Å; V927-F930 PolarHBondContact O-N 3.41Å; V927-I931 HydrophobicContact CG1-CG2 4.37Å; V927-I931 WeakPolarHBondContact O-CG1 3.12Å; V927-I931 PolarHBondContact O-N 3.28Å
928Q94.4Very high91.9Very high2 Ų255 Ų551%0.00926%0.261CS..Hα-helixtrans-59.7-40.8178.1-72.9-175.2116.600112.6N710 M924 K925 I926 L932 V933 Q936 L937 Y939N710-Q928 PolarHBondContact ND2-OE1 3.05Å; M924-Q928 WeakPolarHBondContact O-CB 3.43Å; M924-Q928 VanDerWaalsContact O-CG 3.27Å; M924-Q928 WeakPolarHBondContact O-CG 3.38Å; M924-Q928 PolarHBondContact O-N 3.11Å; K925-Q928 PolarHBondContact O-N 2.93Å; I926-Q928 PolarHBondContact O-N 3.05Å; Q928-L932 PolarHBondContact O-N 3.37Å; Q928-V933 HydrophobicContact CB-CG1 3.65Å; Q928-V933 HydrophobicContact CG-CG1 3.83Å; Q928-V933 PolarHBondContact O-N 2.94Å; Q928-Q936 PolarHBondContact O-NE2 2.91Å; Q928-L937 PolarHBondContact NE2-O 2.93Å; Q928-Y939 VanDerWaalsContact CD-CE2 3.49Å; Q928-Y939 HydrophobicContact CG-CE2 4.13Å
929Q93Very high92Very high71 Ų7146.2 Ų46.233%0.33223%0.228SC..Hα-helixtrans-66.2-42.3175.5-71.4171.9-23.500111.8K925 I926 V927 L932K925-Q929 WeakPolarHBondContact O-CG 3.31Å; K925-Q929 PolarHBondContact O-N 3.33Å; K925-Q929 VanDerWaalsContact O-N 3.11Å; I926-Q929 PolarHBondContact O-N 2.88Å; V927-Q929 VanDerWaalsContact C-N 3.32Å; V927-Q929 PolarHBondContact O-N 3.27Å; Q929-L932 WeakPolarHBondContact O-CD2 3.42Å; Q929-L932 PolarHBondContact O-N 3.31Å
930F93.2Very high92Very high28 Ų2845.6 Ų45.612%0.12323%0.23CC..Hα-helixtrans-65.5-43.2179.7176.3-108.3000112.5K803 I805 L909 I926 V927 L932K803-F930 HydrophobicContact CB-CE1 3.64Å; K803-F930 HydrophobicContact CB-CZ 3.82Å; K803-F930 HydrophobicContact CD-CD1 4.39Å; K803-F930 HydrophobicContact CD-CE1 4.1Å; K803-F930 HydrophobicContact CD-CE2 4.47Å; K803-F930 HydrophobicContact CD-CZ 4.14Å; K803-F930 VanDerWaalsContact CD-O 3.31Å; K803-F930 WeakPolarHBondContact CD-O 3.28Å; K803-F930 WeakPolarHBondContact CE-O 3.26Å; K803-F930 HydrophobicContact CG-CE1 4.21Å; K803-F930 HydrophobicContact CG-CZ 4.05Å; K803-F930 PolarHBondContact NZ-O 3Å; I805-F930 HydrophobicContact CD1-CD1 4.46Å; I805-F930 HydrophobicContact CG1-CD1 4.16Å; I805-F930 HydrophobicContact CG1-CE1 3.96Å; L909-F930 HydrophobicContact CB-CD1 3.62Å; L909-F930 HydrophobicContact CB-CD2 4Å; L909-F930 HydrophobicContact CB-CE1 3.48Å; L909-F930 VanDerWaalsContact CB-CE1 3.48Å; L909-F930 HydrophobicContact CB-CE2 3.91Å; L909-F930 HydrophobicContact CB-CG 3.86Å; L909-F930 HydrophobicContact CB-CZ 3.65Å; L909-F930 HydrophobicContact CD2-CB 3.73Å; L909-F930 HydrophobicContact CD2-CD1 3.63Å; L909-F930 HydrophobicContact CD2-CE1 4.34Å; L909-F930 HydrophobicContact CD2-CG 3.72Å; L909-F930 HydrophobicContact CG-CD1 4.23Å; L909-F930 HydrophobicContact CG-CG 4.24Å; I926-F930 WeakPolarHBondContact O-CB 3.4Å; I926-F930 PolarHBondContact O-N 3.33Å; V927-F930 PolarHBondContact O-N 3.41Å; F930-L932 PolarHBondContact O-N 3.49Å
931I93.7Very high91.7Very high10 Ų1051.6 Ų51.65%0.05126%0.258CS..Hα-helixtrans-77.7-8.6179.170.1-175.8000113.2F690 L707 L713 I805 V927 V933F690-I931 HydrophobicContact CB-CG2 4.35Å; F690-I931 HydrophobicContact CD1-CB 4.01Å; F690-I931 HydrophobicContact CD1-CG2 3.74Å; F690-I931 HydrophobicContact CD2-CG2 4Å; F690-I931 HydrophobicContact CE1-CB 4.09Å; F690-I931 HydrophobicContact CE1-CD1 3.9Å; F690-I931 HydrophobicContact CE1-CG2 3.93Å; F690-I931 HydrophobicContact CE2-CG2 4.19Å; F690-I931 HydrophobicContact CG-CG2 3.77Å; F690-I931 HydrophobicContact CZ-CD1 3.98Å; F690-I931 HydrophobicContact CZ-CG2 4.14Å; L707-I931 HydrophobicContact CD2-CD1 4.18Å; L713-I931 HydrophobicContact CD1-CD1 3.84Å; L713-I931 HydrophobicContact CD2-CD1 3.8Å; I805-I931 HydrophobicContact CD1-CG2 4.06Å; V927-I931 HydrophobicContact CG1-CG2 4.37Å; V927-I931 WeakPolarHBondContact O-CG1 3.12Å; V927-I931 PolarHBondContact O-N 3.28Å; I931-V933 HydrophobicContact CD1-CB 4.23Å; I931-V933 HydrophobicContact CD1-CG1 4.35Å; I931-V933 HydrophobicContact CG1-CB 4.1Å; I931-V933 HydrophobicContact CG1-CG1 4.26Å
932L91Very high91.4Very high116 Ų11652.8 Ų52.861%0.60726%0.259SS*.THydrogen-bonded Turntrans60.838.8-179.5-54.5170.9000113.5K803 Q928 Q929 F930K803-L932 VanDerWaalsContact NZ-CG 3.32Å; Q928-L932 PolarHBondContact O-N 3.37Å; Q929-L932 WeakPolarHBondContact O-CD2 3.42Å; Q929-L932 PolarHBondContact O-N 3.31Å; F930-L932 PolarHBondContact O-N 3.49Å
933V89.7Confident91.4Very high5 Ų550.2 Ų50.23%0.0324%0.242CC..  trans-68.1135172.568.70000109.8N710 E712 L713 I777 Q928 I931 Q936N710-V933 WeakPolarHBondContact ND2-CG2 3.36Å; E712-V933 HydrophobicContact CB-CG2 3.81Å; E712-V933 HydrophobicContact CG-CG2 4.48Å; E712-V933 WeakPolarHBondContact OE2-CG2 3.37Å; L713-V933 HydrophobicContact CD2-CG2 4.46Å; L713-V933 HydrophobicContact CG-CG2 4.45Å; I777-V933 HydrophobicContact CD1-CB 4.31Å; I777-V933 HydrophobicContact CD1-CG2 4.31Å; Q928-V933 HydrophobicContact CB-CG1 3.65Å; Q928-V933 HydrophobicContact CG-CG1 3.83Å; Q928-V933 PolarHBondContact O-N 2.94Å; I931-V933 HydrophobicContact CD1-CB 4.23Å; I931-V933 HydrophobicContact CD1-CG1 4.35Å; I931-V933 HydrophobicContact CG1-CB 4.1Å; I931-V933 HydrophobicContact CG1-CG1 4.26Å; V933-Q936 PolarHBondContact O-NE2 3.28Å
934H86.4Confident91.4Very high164 Ų16452.9 Ų52.976%0.75925%0.254SS*.SBendtrans-71.7-45-175.3-63.3-65.2000110.5E712 Q936E712-H934 WeakPolarHBondContact OE2-CB 2.96Å; E712-H934 PolarHBondContact OE2-N 3.06Å; H934-Q936 PolarHBondContact O-N 3.48Å
935R86.5Confident91.1Very high68 Ų6857.6 Ų57.626%0.25727%0.274SS..SBendtrans-82.3107.6174.1-177.8174.3-178166.2-1.3110.9N710 E712 Y768 L937N710-R935 PolarHBondContact ND2-O 3.06Å; E712-R935 HydrophobicContact CG-CB 4.27Å; E712-R935 WeakPolarHBondContact OE1-CB 3.31Å; E712-R935 PolarHBondContact OE1-N 2.75Å; E712-R935 VanDerWaalsContact OE1-N 3.17Å; E712-R935 PolarHBondContact OE2-N 2.91Å; Y768-R935 PolarHBondContact OH-NH2 2.92Å; R935-L937 HydrophobicContact CG-CD2 4.04Å
936Q89.5Confident90.8Very high89 Ų8953.8 Ų53.842%0.41626%0.26SS..  trans-83.3113.4169.8-61.2-69.4-48.700109.6Q928 V933 H934Q928-Q936 PolarHBondContact O-NE2 2.91Å; V933-Q936 PolarHBondContact O-NE2 3.28Å; H934-Q936 PolarHBondContact O-N 3.48Å
937L90.2Very high90.5Very high17 Ų1764.2 Ų64.29%0.08930%0.298CS..  trans-85.2140.5172.6-67.1-171.5000111.8L709 N710 Q928 R935 Y939L709-L937 HydrophobicContact CB-CD1 4.36Å; L709-L937 WeakPolarHBondContact O-CD1 3.01Å; N710-L937 VanDerWaalsContact CA-CD1 3.5Å; N710-L937 HydrophobicContact CB-CD1 3.83Å; N710-L937 HydrophobicContact CB-CG 4.32Å; Q928-L937 PolarHBondContact NE2-O 2.93Å; R935-L937 HydrophobicContact CG-CD2 4.04Å; L937-Y939 HydrophobicContact CB-CD2 4.25Å; L937-Y939 HydrophobicContact CB-CE2 3.94Å; L937-Y939 WeakPolarHBondContact O-CD2 3.32Å; L937-Y939 PolarHBondContact O-N 3.46Å
938D92.1Very high89.9Confident73 Ų7373.6 Ų73.639%0.3934%0.339SS..  trans-83.995.3165177.711.4000110S940 Q941 Y942D938-S940 PolarHBondContact O-N 2.92Å; D938-S940 VanDerWaalsContact O-N 3.13Å; D938-S940 WeakPolarHBondContact OD1-CB 3.35Å; D938-S940 PolarHBondContact OD1-N 2.97Å; D938-S940 VanDerWaalsContact OD1-N 3.11Å; D938-S940 PolarHBondContact OD1-OG 3.35Å; D938-S940 PolarHBondContact OD2-OG 3.01Å; D938-S940 VanDerWaalsContact OD2-OG 3.04Å; D938-Q941 PolarHBondContact O-N 3.08Å; D938-Q941 PolarHBondContact OD2-NE2 3.28Å; D938-Y942 VanDerWaalsContact O-CD2 3.25Å; D938-Y942 WeakPolarHBondContact O-CD2 3.46Å; D938-Y942 WeakPolarHBondContact O-CE2 3.24Å
939Y92.7Very high89.2Confident2 Ų276.3 Ų76.31%0.00835%0.351CS..G310 helixtrans-64.4-13.9-178-78.9-86.6000114.6F706 L709 M924 Q928 L937 Q941 Y942 L943F706-Y939 HydrophobicContact CB-CE1 4.2Å; F706-Y939 WeakPolarHBondContact O-CE1 3.49Å; F706-Y939 PolarHBondContact O-OH 2.89Å; L709-Y939 HydrophobicContact CB-CE1 4.13Å; L709-Y939 HydrophobicContact CD1-CD1 4.06Å; L709-Y939 HydrophobicContact CD1-CE1 3.88Å; M924-Y939 HydrophobicContact CB-CD1 4.38Å; M924-Y939 HydrophobicContact CB-CD2 3.38Å; M924-Y939 HydrophobicContact CB-CE2 3.75Å; M924-Y939 HydrophobicContact CB-CG 3.72Å; M924-Y939 HydrophobicContact CE-CD1 4.29Å; M924-Y939 HydrophobicContact CE-CD2 4.41Å; M924-Y939 HydrophobicContact CE-CE1 3.69Å; M924-Y939 HydrophobicContact CE-CE2 3.79Å; M924-Y939 WeakPolarHBondContact CE-OH 3.48Å; M924-Y939 HydrophobicContact CG-CD1 4.1Å; M924-Y939 HydrophobicContact CG-CD2 4.01Å; M924-Y939 HydrophobicContact CG-CE1 4.43Å; M924-Y939 HydrophobicContact CG-CE2 4.31Å; M924-Y939 HydrophobicContact CG-CG 3.86Å; Q928-Y939 VanDerWaalsContact CD-CE2 3.49Å; Q928-Y939 HydrophobicContact CG-CE2 4.13Å; L937-Y939 HydrophobicContact CB-CD2 4.25Å; L937-Y939 HydrophobicContact CB-CE2 3.94Å; L937-Y939 WeakPolarHBondContact O-CD2 3.32Å; L937-Y939 PolarHBondContact O-N 3.46Å; Y939-Q941 PolarHBondContact O-N 3.16Å; Y939-Y942 PolarHBondContact O-N 2.91Å; Y939-Y942 VanDerWaalsContact O-N 3.16Å; Y939-L943 HydrophobicContact CD1-CD1 4.01Å; Y939-L943 HydrophobicContact CD1-CG 4.2Å; Y939-L943 HydrophobicContact CG-CD1 4.39Å; Y939-L943 WeakPolarHBondContact O-CB 3.46Å; Y939-L943 WeakPolarHBondContact O-CG 3.36Å; Y939-L943 PolarHBondContact O-N 2.95Å
940S91.8Very high88.7Confident67 Ų6775 Ų7547%0.46936%0.357SS..G310 helixtrans-62.7-25.1175.4710000112.6D938D938-S940 PolarHBondContact O-N 2.92Å; D938-S940 VanDerWaalsContact O-N 3.13Å; D938-S940 WeakPolarHBondContact OD1-CB 3.35Å; D938-S940 PolarHBondContact OD1-N 2.97Å; D938-S940 VanDerWaalsContact OD1-N 3.11Å; D938-S940 PolarHBondContact OD1-OG 3.35Å; D938-S940 PolarHBondContact OD2-OG 3.01Å; D938-S940 VanDerWaalsContact OD2-OG 3.04Å
941Q88.7Confident88.3Confident126 Ų12675.1 Ų75.159%0.58936%0.357SS*.G310 helixtrans-82.4-19.7179.4-57.6178.718.500112.8D938 Y939D938-Q941 PolarHBondContact O-N 3.08Å; D938-Q941 PolarHBondContact OD2-NE2 3.28Å; Y939-Q941 PolarHBondContact O-N 3.16Å
942Y88.9Confident88.2Confident62 Ų6276.2 Ų76.224%0.24336%0.362CS..THydrogen-bonded Turntrans-112.5-15.7-171.8-57.2-81.2000113.7L709 D938 Y939 V954 T955L709-Y942 HydrophobicContact CD1-CG 4.5Å; D938-Y942 VanDerWaalsContact O-CD2 3.25Å; D938-Y942 WeakPolarHBondContact O-CD2 3.46Å; D938-Y942 WeakPolarHBondContact O-CE2 3.24Å; Y939-Y942 PolarHBondContact O-N 2.91Å; Y939-Y942 VanDerWaalsContact O-N 3.16Å; Y942-V954 CarbonylContact O-C 3.49Å; Y942-V954 WeakPolarHBondContact O-CA 3.49Å; Y942-T955 PolarHBondContact O-N 2.8Å; Y942-T955 PolarHBondContact O-OG1 3.33Å
943L91.9Very high88Confident11 Ų1170.8 Ų70.86%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-114.8132.4-176.9-56.3-177.7000110.9F706 L709 P920 Y939 F952 C953 V954F706-L943 HydrophobicContact CD1-CD1 4.38Å; F706-L943 HydrophobicContact CD1-CD2 3.43Å; F706-L943 VanDerWaalsContact CD1-CD2 3.43Å; F706-L943 HydrophobicContact CD2-CD1 3.86Å; F706-L943 HydrophobicContact CD2-CD2 4.38Å; F706-L943 HydrophobicContact CE1-CD2 3.57Å; F706-L943 HydrophobicContact CE2-CD1 4.04Å; F706-L943 HydrophobicContact CG-CD1 4.06Å; F706-L943 HydrophobicContact CG-CD2 3.89Å; F706-L943 HydrophobicContact CZ-CD1 4.38Å; F706-L943 HydrophobicContact CZ-CD2 4.13Å; L709-L943 HydrophobicContact CD1-CD2 3.92Å; P920-L943 HydrophobicContact CB-CD1 4.03Å; P920-L943 HydrophobicContact CG-CD1 3.69Å; Y939-L943 HydrophobicContact CD1-CD1 4.01Å; Y939-L943 HydrophobicContact CD1-CG 4.2Å; Y939-L943 HydrophobicContact CG-CD1 4.39Å; Y939-L943 WeakPolarHBondContact O-CB 3.46Å; Y939-L943 WeakPolarHBondContact O-CG 3.36Å; Y939-L943 PolarHBondContact O-N 2.95Å; L943-F952 HydrophobicContact CB-CD1 4.17Å; L943-C953 WeakPolarHBondContact CA-O 3.41Å; L943-V954 HydrophobicContact CD2-CG2 4.31Å
944H90.5Very high87.8Confident70 Ų7071 Ų7132%0.32434%0.335SS..EExtended strand (participates in β ladder)trans-130.8145.2173.168.8-84.7000110.6F952 C953 V954 T955H944-F952 CarbonylContact O-C 3.51Å; H944-F952 WeakPolarHBondContact O-CA 3.33Å; H944-C953 PolarHBondContact N-O 3.01Å; H944-C953 PolarHBondContact ND1-O 3.46Å; H944-C953 PolarHBondContact O-N 3.13Å; H944-V954 PolarHBondContact CE1-O 3.15Å; H944-T955 PolarHBondContact ND1-OG1 3.06Å
945F90.2Very high87.2Confident98 Ų9866.8 Ų66.843%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-79.2123177.6-174.9-99.4000111.1R947 G950 F952F945-R947 HydrophobicContact CD1-CG 4.12Å; F945-R947 HydrophobicContact CE1-CG 4.06Å; F945-G950 WeakPolarHBondContact CE2-O 3.48Å; F945-F952 HydrophobicContact CB-CD1 4.27Å; F945-F952 HydrophobicContact CB-CE1 4.02Å; F945-F952 HydrophobicContact CB-CE2 4.3Å; F945-F952 HydrophobicContact CB-CZ 4.03Å; F945-F952 AromaticContact CD2-CD2 3.75Å; F945-F952 HydrophobicContact CD2-CD2 3.75Å; F945-F952 AromaticContact CD2-CE2 3.61Å; F945-F952 HydrophobicContact CD2-CE2 3.61Å; F945-F952 HydrophobicContact CD2-CG 4.38Å; F945-F952 HydrophobicContact CD2-CZ 4.17Å; F945-F952 HydrophobicContact CE2-CE2 4.45Å; F945-F952 HydrophobicContact CG-CE2 4.4Å
946N87.2Confident86.1Confident40 Ų4066.3 Ų66.321%0.21433%0.325CS..EExtended strand (participates in β ladder)trans-97.6107.3176.1-176.4-38.2000110.4K948 K949 G950 F951 C953 C966N946-K948 VanDerWaalsContact C-N 3.29Å; N946-K948 PolarHBondContact O-N 3.22Å; N946-K948 WeakPolarHBondContact OD1-CB 3.41Å; N946-K948 PolarHBondContact OD1-N 3.46Å; N946-K949 HydrophobicContact CB-CB 4.04Å; N946-K949 HydrophobicContact CB-CG 4.43Å; N946-K949 PolarHBondContact O-N 3.16Å; N946-K949 VanDerWaalsContact O-N 3.15Å; N946-K949 PolarHBondContact OD1-N 3.04Å; N946-K949 VanDerWaalsContact OD1-N 3.12Å; N946-G950 PolarHBondContact O-N 3.32Å; N946-F951 PolarHBondContact N-O 3.47Å; N946-C953 VanDerWaalsContact CB-SG 3.56Å; N946-C966 PolarHBondContact ND2-SG 3.27Å
947R84.7Confident84.2Confident229 Ų22971.2 Ų71.286%0.86434%0.34SS*.THydrogen-bonded Turntrans-58.8-33.6-179.1-69.2-173.9178.8-171.50.3114.1F945F945-R947 HydrophobicContact CD1-CG 4.12Å; F945-R947 HydrophobicContact CE1-CG 4.06Å
948K82Confident82.1Confident197 Ų19774.7 Ų74.786%0.85736%0.359SS*.THydrogen-bonded Turntrans-72.7-32.9179.1-67.4-176.4177-179.10112.2N946N946-K948 VanDerWaalsContact C-N 3.29Å; N946-K948 PolarHBondContact O-N 3.22Å; N946-K948 WeakPolarHBondContact OD1-CB 3.41Å; N946-K948 PolarHBondContact OD1-N 3.46Å
949K79.7Confident80.1Confident59 Ų5972.4 Ų72.426%0.25735%0.35SS..THydrogen-bonded Turntrans-85.6-28.9177.5-75.8-73.5-171.6156.20112.4N946 F951 C966 L967N946-K949 HydrophobicContact CB-CB 4.04Å; N946-K949 HydrophobicContact CB-CG 4.43Å; N946-K949 PolarHBondContact O-N 3.16Å; N946-K949 VanDerWaalsContact O-N 3.15Å; N946-K949 PolarHBondContact OD1-N 3.04Å; N946-K949 VanDerWaalsContact OD1-N 3.12Å; K949-F951 HydrophobicContact CB-CD1 3.95Å; K949-F951 HydrophobicContact CB-CE1 3.61Å; K949-F951 HydrophobicContact CB-CE2 4.42Å; K949-F951 HydrophobicContact CB-CG 4.48Å; K949-F951 HydrophobicContact CB-CZ 3.89Å; K949-F951 HydrophobicContact CD-CE1 3.96Å; K949-F951 HydrophobicContact CD-CZ 3.85Å; K949-F951 HydrophobicContact CG-CE1 4.29Å; K949-F951 HydrophobicContact CG-CZ 4.2Å; K949-F951 WeakPolarHBondContact O-CD1 3.33Å; K949-F951 WeakPolarHBondContact O-CE1 3.34Å; K949-C966 HydrophobicContact CG-CB 4.48Å; K949-L967 PolarHBondContact NZ-O 2.87Å
950G81.3Confident78.1Confident45 Ų4574.5 Ų74.546%0.46436%0.359SS..THydrogen-bonded Turntrans81.211-17700000114.5F945 N946F945-G950 WeakPolarHBondContact CE2-O 3.48Å; N946-G950 PolarHBondContact O-N 3.32Å
951F86.1Confident76Confident30 Ų3075.6 Ų75.613%0.13237%0.367CS..EExtended strand (participates in β ladder)trans-150.2171.4-179.658.6-91.8000111.9N946 K949 L967 G972N946-F951 PolarHBondContact N-O 3.47Å; K949-F951 HydrophobicContact CB-CD1 3.95Å; K949-F951 HydrophobicContact CB-CE1 3.61Å; K949-F951 HydrophobicContact CB-CE2 4.42Å; K949-F951 HydrophobicContact CB-CG 4.48Å; K949-F951 HydrophobicContact CB-CZ 3.89Å; K949-F951 HydrophobicContact CD-CE1 3.96Å; K949-F951 HydrophobicContact CD-CZ 3.85Å; K949-F951 HydrophobicContact CG-CE1 4.29Å; K949-F951 HydrophobicContact CG-CZ 4.2Å; K949-F951 WeakPolarHBondContact O-CD1 3.33Å; K949-F951 WeakPolarHBondContact O-CE1 3.34Å; F951-L967 HydrophobicContact CE2-CB 3.97Å; F951-L967 HydrophobicContact CE2-CD1 4.24Å; F951-L967 HydrophobicContact CE2-CG 4.13Å; F951-L967 HydrophobicContact CZ-CB 4.16Å; F951-G972 VanDerWaalsContact CE1-CA 3.48Å; F951-G972 WeakPolarHBondContact CE1-O 3.27Å
952F90.3Very high74.2Confident32 Ų3272.5 Ų72.514%0.1435%0.35CS..EExtended strand (participates in β ladder)trans-73.9137.6-179.7-74.3-102.2000112.8F706 R918 P920 L943 H944 F945F706-F952 HydrophobicContact CZ-CB 3.91Å; R918-F952 WeakPolarHBondContact O-CE2 3.43Å; R918-F952 WeakPolarHBondContact O-CZ 3.31Å; P920-F952 HydrophobicContact CG-CB 3.98Å; P920-F952 HydrophobicContact CG-CD1 3.76Å; P920-F952 HydrophobicContact CG-CD2 3.8Å; P920-F952 HydrophobicContact CG-CE1 4.17Å; P920-F952 HydrophobicContact CG-CE2 4.23Å; P920-F952 HydrophobicContact CG-CG 3.56Å; P920-F952 HydrophobicContact CG-CZ 4.4Å; L943-F952 HydrophobicContact CB-CD1 4.17Å; H944-F952 CarbonylContact O-C 3.51Å; H944-F952 WeakPolarHBondContact O-CA 3.33Å; F945-F952 HydrophobicContact CB-CD1 4.27Å; F945-F952 HydrophobicContact CB-CE1 4.02Å; F945-F952 HydrophobicContact CB-CE2 4.3Å; F945-F952 HydrophobicContact CB-CZ 4.03Å; F945-F952 AromaticContact CD2-CD2 3.75Å; F945-F952 HydrophobicContact CD2-CD2 3.75Å; F945-F952 AromaticContact CD2-CE2 3.61Å; F945-F952 HydrophobicContact CD2-CE2 3.61Å; F945-F952 HydrophobicContact CD2-CG 4.38Å; F945-F952 HydrophobicContact CD2-CZ 4.17Å; F945-F952 HydrophobicContact CE2-CE2 4.45Å; F945-F952 HydrophobicContact CG-CE2 4.4Å
953C88.2Confident72.4Confident2 Ų277 Ų771%0.01438%0.378CS..EExtended strand (participates in β ladder)trans-119.8166.1175.2-59.40000110.8L943 H944 N946 C966L943-C953 WeakPolarHBondContact CA-O 3.41Å; H944-C953 PolarHBondContact N-O 3.01Å; H944-C953 PolarHBondContact ND1-O 3.46Å; H944-C953 PolarHBondContact O-N 3.13Å; N946-C953 VanDerWaalsContact CB-SG 3.56Å; C953-C966 HydrophobicContact CB-CB 3.9Å; C953-C966 WeakPolarHBondContact CB-SG 3.28Å; C953-C966 VanDerWaalsContact SG-CA 3.5Å; C953-C966 WeakPolarHBondContact SG-CB 3.4Å; C953-C966 CovalentContact SG-SG 2.02Å; C953-C966 PolarHBondContact SG-SG 3.35Å
954V84.8Confident70.9Confident9 Ų982.3 Ų82.36%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-83.3133.9175.9177.30000110F706 L709 Y942 L943 H944 T956 G965F706-V954 HydrophobicContact CD1-CG2 4.39Å; L709-V954 HydrophobicContact CD1-CG1 4.41Å; L709-V954 HydrophobicContact CD1-CG2 4.15Å; L709-V954 HydrophobicContact CD2-CG1 3.54Å; L709-V954 HydrophobicContact CD2-CG2 4.17Å; L709-V954 HydrophobicContact CG-CG2 4.48Å; Y942-V954 CarbonylContact O-C 3.49Å; Y942-V954 WeakPolarHBondContact O-CA 3.49Å; L943-V954 HydrophobicContact CD2-CG2 4.31Å; H944-V954 PolarHBondContact CE1-O 3.15Å; V954-T956 VanDerWaalsContact CG1-OG1 3.24Å; V954-T956 WeakPolarHBondContact CG1-OG1 3.49Å; V954-G965 WeakPolarHBondContact CB-O 3.4Å; V954-G965 PolarHBondContact N-O 3.47Å
955T74.7Confident69.9Low76 Ų7679.7 Ų79.747%0.46640%0.398SS..SBendtrans-75.9-32.3-179-47.70000112.7Y942 H944 R957Y942-T955 PolarHBondContact O-N 2.8Å; Y942-T955 PolarHBondContact O-OG1 3.33Å; H944-T955 PolarHBondContact ND1-OG1 3.06Å; T955-R957 PolarHBondContact O-N 2.82Å
956T61.9Low69.3Low58 Ų5875.5 Ų75.536%0.35638%0.381SS..  trans-78.2113.5-179.942.80000111.4V954 N958V954-T956 VanDerWaalsContact CG1-OG1 3.24Å; V954-T956 WeakPolarHBondContact CG1-OG1 3.49Å; T956-N958 PolarHBondContact O-N 3.5Å; T956-N958 VanDerWaalsContact O-N 3.12Å
957R50.4Low68.9Low193 Ų19374.6 Ų74.673%0.72838%0.376SS*.THydrogen-bonded Turntrans-59.1-19.6172.6-69-175.7-179.4178.50.7113.1T955T955-R957 PolarHBondContact O-N 2.82Å
958N46.6Very low68.4Low89 Ų8964.7 Ų64.748%0.47635%0.346SS..THydrogen-bonded Turntrans-102.27.3-168-668.6000115.8F761 T956F761-N958 HydrophobicContact CD1-CB 4.05Å; F761-N958 HydrophobicContact CE1-CB 4.03Å; T956-N958 PolarHBondContact O-N 3.5Å; T956-N958 VanDerWaalsContact O-N 3.12Å
959A50.2Low68Low25 Ų2566.6 Ų66.621%0.20735%0.347CS..SBendtrans-85.9-31.2178.600000112.9L709L709-A959 HydrophobicContact CD2-CB 4.05Å
960F50Low67.7Low47 Ų4765.6 Ų65.621%0.20635%0.348CS..SBendtrans-149.2142.5-177.7-54.5-79.3000109.7L708 L709 F761 W962L708-F960 HydrophobicContact CB-CE1 3.99Å; L708-F960 HydrophobicContact CB-CZ 3.46Å; L708-F960 VanDerWaalsContact CB-CZ 3.46Å; L708-F960 HydrophobicContact CD1-CE1 3.85Å; L708-F960 HydrophobicContact CD1-CZ 4.09Å; L708-F960 HydrophobicContact CG-CZ 4.44Å; L709-F960 HydrophobicContact CD2-CE2 4.45Å; F761-F960 VanDerWaalsContact CE2-C 3.46Å; F761-F960 WeakPolarHBondContact CZ-O 3.49Å; F960-W962 HydrophobicContact CB-CB 4.48Å; F960-W962 HydrophobicContact CB-CG 4.02Å; F960-W962 PolarHBondContact O-N 3.29Å
961S47Very low67.6Low89 Ų8966.2 Ų66.262%0.62234%0.338SS*.SBendtrans-72.254179.6-175.80000111.9F761F761-S961 VanDerWaalsContact CE2-N 3.31Å
962W52.3Low67.1Low61 Ų6166.9 Ų66.923%0.23135%0.353CS..SBendtrans-121129-171.4-67.439.8000107.8H705 T723 F960 N964 G965 L967H705-W962 AromaticContact CE1-CH2 3.31Å; H705-W962 WeakPolarHBondContact CE1-CH2 3.47Å; H705-W962 AromaticContact CE1-CZ2 3.42Å; H705-W962 VanDerWaalsContact CE1-CZ2 3.42Å; H705-W962 WeakPolarHBondContact CE1-CZ2 3.26Å; H705-W962 AromaticContact NE2-CH2 3.36Å; H705-W962 WeakPolarHBondContact NE2-CH2 3.47Å; H705-W962 AromaticContact NE2-CZ2 3.92Å; H705-W962 AromaticContact NE2-CZ3 4Å; T723-W962 HydrophobicContact CG2-CH2 4.08Å; T723-W962 HydrophobicContact CG2-CZ2 4.06Å; F960-W962 HydrophobicContact CB-CB 4.48Å; F960-W962 HydrophobicContact CB-CG 4.02Å; F960-W962 PolarHBondContact O-N 3.29Å; W962-N964 PolarHBondContact O-N 2.83Å; W962-G965 PolarHBondContact O-N 3.04Å; W962-L967 HydrophobicContact CH2-CD2 4.46Å; W962-L967 HydrophobicContact CZ3-CB 4.32Å; W962-L967 HydrophobicContact CZ3-CD2 3.87Å
963N50.9Low66.6Low158 Ų15869.1 Ų69.185%0.84536%0.36SS*.G310 helixtrans-49.9108175.5-82.8-23.2000110.9
964N60.7Low66.2Low122 Ų12274.6 Ų74.665%0.65239%0.394SS*.G310 helixtrans68.921.8174.8-53.8-23.6000117.6W962 C966W962-N964 PolarHBondContact O-N 2.83Å; N964-C966 PolarHBondContact O-N 2.86Å; N964-C966 VanDerWaalsContact O-N 3.1Å
965G69Low66.2Low14 Ų1477.7 Ų77.714%0.14441%0.405CS..G310 helixtrans70.54.7172.900000115.9V954 W962V954-G965 WeakPolarHBondContact CB-O 3.4Å; V954-G965 PolarHBondContact N-O 3.47Å; W962-G965 PolarHBondContact O-N 3.04Å
966C77.1Confident66.7Low11 Ų1181.6 Ų81.67%0.07442%0.418CS..SBendtrans-96157175.3-70.30000111.7N946 K949 C953 N964N946-C966 PolarHBondContact ND2-SG 3.27Å; K949-C966 HydrophobicContact CG-CB 4.48Å; C953-C966 HydrophobicContact CB-CB 3.9Å; C953-C966 WeakPolarHBondContact CB-SG 3.28Å; C953-C966 VanDerWaalsContact SG-CA 3.5Å; C953-C966 WeakPolarHBondContact SG-CB 3.4Å; C953-C966 CovalentContact SG-SG 2.02Å; C953-C966 PolarHBondContact SG-SG 3.35Å; N964-C966 PolarHBondContact O-N 2.86Å; N964-C966 VanDerWaalsContact O-N 3.1Å
967L78Confident67.7Low20 Ų2084.4 Ų84.411%0.10544%0.437CS..PPolyproline II helixtrans-59.1146.7171.5-58.5179000112.5T701 A702 H705 K949 F951 W962 K971T701-L967 HydrophobicContact CG2-CD1 4.48Å; T701-L967 HydrophobicContact CG2-CD2 4.4Å; A702-L967 HydrophobicContact CB-CD1 3.9Å; H705-L967 HydrophobicContact CB-CD2 4.19Å; H705-L967 WeakPolarHBondContact CD2-CD2 3.39Å; K949-L967 PolarHBondContact NZ-O 2.87Å; F951-L967 HydrophobicContact CE2-CB 3.97Å; F951-L967 HydrophobicContact CE2-CD1 4.24Å; F951-L967 HydrophobicContact CE2-CG 4.13Å; F951-L967 HydrophobicContact CZ-CB 4.16Å; W962-L967 HydrophobicContact CH2-CD2 4.46Å; W962-L967 HydrophobicContact CZ3-CB 4.32Å; W962-L967 HydrophobicContact CZ3-CD2 3.87Å; L967-K971 HydrophobicContact CB-CB 3.88Å; L967-K971 HydrophobicContact CD1-CB 4.11Å
968G74.7Confident69.3Low22 Ų2277 Ų7723%0.22741%0.412CS..PPolyproline II helixtrans-56166.2-178.900000114.5S970 K971G968-S970 PolarHBondContact O-N 2.86Å; G968-K971 PolarHBondContact O-N 3.25Å
969R73.8Confident70.8Confident236 Ų23676.7 Ų76.789%0.89141%0.41SS*.THydrogen-bonded Turntrans-57.5-24.4-172.5-66.8-176.6-179.4-178.50.6114.5K971R969-K971 VanDerWaalsContact C-N 3.35Å
970S74.1Confident71.9Confident38 Ų3885 Ų8527%0.26644%0.436SS..THydrogen-bonded Turntrans-78.3-15.6179.158.40000114.3G968 R973G968-S970 PolarHBondContact O-N 2.86Å; S970-R973 PolarHBondContact O-NH1 2.86Å
971K78.8Confident72.9Confident59 Ų5990 Ų9026%0.25747%0.465SS..SBendtrans-109.8132.9-176.1-53.8-74.5-176.3157.80109.6T701 E725 L967 G968 R969T701-K971 HydrophobicContact CG2-CD 4.2Å; T701-K971 PolarHBondContact OG1-NZ 3.08Å; E725-K971 IonicContact OE1-NZ 3.29Å; E725-K971 PolarHBondContact OE1-NZ 3.5Å; E725-K971 IonicContact OE2-NZ 3.1Å; E725-K971 PolarHBondContact OE2-NZ 2.72Å; L967-K971 HydrophobicContact CB-CB 3.88Å; L967-K971 HydrophobicContact CD1-CB 4.11Å; G968-K971 PolarHBondContact O-N 3.25Å; R969-K971 VanDerWaalsContact C-N 3.35Å
972G74.9Confident73.9Confident43 Ų4387.8 Ų87.844%0.44345%0.448SS..SBendtrans65.442.6-178.500000114.5F951F951-G972 VanDerWaalsContact CE1-CA 3.48Å; F951-G972 WeakPolarHBondContact CE1-O 3.27Å
973R80.8Confident74.7Confident80 Ų8090.2 Ų90.230%0.30247%0.465SS..  trans-61.2139.3171.2-61.6-177.8-177.9108.1-7.3110S970 Y975S970-R973 PolarHBondContact O-NH1 2.86Å; R973-Y975 WeakPolarHBondContact O-CD1 3.27Å; R973-Y975 VanDerWaalsContact O-CE1 3.23Å; R973-Y975 WeakPolarHBondContact O-CE1 3.01Å
974T79.6Confident75.5Confident117 Ų11782.9 Ų82.972%0.71843%0.425SS*.  trans-81.3128.9168.151.10000109
975Y84.9Confident75.9Confident74 Ų7477.6 Ų77.629%0.2940%0.398SS..  trans-140.2160.9174.243.4-91.9000108Y816 S817 Q820 R973Y816-Y975 HydrophobicContact CD1-CD2 4.22Å; Y816-Y975 AromaticContact CD1-CE2 3.81Å; Y816-Y975 HydrophobicContact CD1-CE2 3.81Å; Y816-Y975 AromaticContact CE1-CD2 3.61Å; Y816-Y975 HydrophobicContact CE1-CD2 3.61Å; Y816-Y975 AromaticContact CE1-CE2 3.67Å; Y816-Y975 HydrophobicContact CE1-CE2 3.67Å; S817-Y975 WeakPolarHBondContact CB-OH 3.45Å; S817-Y975 PolarHBondContact OG-OH 2.78Å; Q820-Y975 HydrophobicContact CB-CD1 3.99Å; Q820-Y975 HydrophobicContact CB-CD2 4.23Å; Q820-Y975 HydrophobicContact CB-CE1 4.25Å; Q820-Y975 HydrophobicContact CB-CE2 4.42Å; Q820-Y975 HydrophobicContact CB-CG 4Å; Q820-Y975 HydrophobicContact CG-CD1 4.24Å; Q820-Y975 HydrophobicContact CG-CD2 3.6Å; Q820-Y975 HydrophobicContact CG-CE2 4Å; Q820-Y975 HydrophobicContact CG-CG 3.72Å; R973-Y975 WeakPolarHBondContact O-CD1 3.27Å; R973-Y975 VanDerWaalsContact O-CE1 3.23Å; R973-Y975 WeakPolarHBondContact O-CE1 3.01Å
976E84.2Confident76.2Confident157 Ų15781.7 Ų81.773%0.73442%0.416SS*.PPolyproline II helixtrans-53.9131.3178.8-68.3-178.1170.700110.3Y816Y816-E976 WeakPolarHBondContact CE1-O 3.13Å; Y816-E976 PolarHBondContact OH-O 3.48Å
977P83.9Confident76.1Confident117 Ų11784.8 Ų84.876%0.7643%0.432SS*.PPolyproline II helixtrans-55.9146.3172.7-2333.5000110.7D979P977-D979 PolarHBondContact O-N 2.94Å
978L82.9Confident76.1Confident37 Ų3784.1 Ų84.119%0.19443%0.428CS..PPolyproline II helixtrans-61.2122.7171.3-17768.6000108.8I812 Y816 F835 R980 P985I812-L978 HydrophobicContact CG2-CD2 3.68Å; Y816-L978 HydrophobicContact CD1-CB 4Å; Y816-L978 HydrophobicContact CD2-CD1 4.17Å; Y816-L978 HydrophobicContact CE1-CB 4.05Å; Y816-L978 HydrophobicContact CE2-CD1 4.28Å; Y816-L978 HydrophobicContact CG-CB 4.38Å; Y816-L978 HydrophobicContact CG-CD1 4.42Å; F835-L978 HydrophobicContact CD1-CD1 3.7Å; F835-L978 HydrophobicContact CE1-CD1 3.84Å; F835-L978 HydrophobicContact CE1-CD2 4.42Å; L978-R980 PolarHBondContact O-N 3.15Å; L978-R980 VanDerWaalsContact O-N 3.11Å; L978-P985 HydrophobicContact CD2-CG 4.47Å
979D79.9Confident76.4Confident84 Ų8487.1 Ų87.145%0.44944%0.436SS..  trans-64.2112178.6-177.95.6000110.6P977 N981 T982 P985P977-D979 PolarHBondContact O-N 2.94Å; D979-N981 PolarHBondContact O-N 3.05Å; D979-N981 WeakPolarHBondContact OD1-CB 3.23Å; D979-N981 PolarHBondContact OD1-N 2.95Å; D979-T982 HydrophobicContact CB-CG2 3.99Å; D979-T982 PolarHBondContact O-N 2.91Å; D979-T982 PolarHBondContact O-OG1 3.2Å; D979-T982 WeakPolarHBondContact OD2-CG2 3.41Å; D979-P985 WeakPolarHBondContact O-CG 3.35Å
980R72.3Confident76.6Confident199 Ų19981.6 Ų81.675%0.75142%0.424SS*.THydrogen-bonded Turntrans-72.3-16.2-179.4-67.2-172.9179-166.2-2.8113.3L978 T982L978-R980 PolarHBondContact O-N 3.15Å; L978-R980 VanDerWaalsContact O-N 3.11Å; R980-T982 VanDerWaalsContact C-N 3.32Å
981N71.5Confident77.1Confident151 Ų15185.8 Ų85.881%0.80744%0.435SS*.THydrogen-bonded Turntrans-85.9-6.1-179.7-62-28.4000112.8D979D979-N981 PolarHBondContact O-N 3.05Å; D979-N981 WeakPolarHBondContact OD1-CB 3.23Å; D979-N981 PolarHBondContact OD1-N 2.95Å
982T67.9Low77.6Confident44 Ų4483.1 Ų83.127%0.2742%0.423SS..SBendtrans-76.3154.717558.10000111.4D979 R980 L984 P985D979-T982 HydrophobicContact CB-CG2 3.99Å; D979-T982 PolarHBondContact O-N 2.91Å; D979-T982 PolarHBondContact O-OG1 3.2Å; D979-T982 WeakPolarHBondContact OD2-CG2 3.41Å; R980-T982 VanDerWaalsContact C-N 3.32Å; T982-L984 PolarHBondContact O-N 2.85Å; T982-L984 VanDerWaalsContact O-N 3.12Å; T982-P985 VanDerWaalsContact O-CD 3.29Å; T982-P985 WeakPolarHBondContact O-CD 3.43Å; T982-P985 WeakPolarHBondContact OG1-CD 3.44Å
983L68.5Low78.2Confident112 Ų11282.7 Ų82.759%0.58641%0.414SS*.Hα-helixtrans-61.6-18173.4-159.995.8000112.5N986 L987L983-N986 PolarHBondContact O-N 3.46Å; L983-L987 HydrophobicContact CD2-CD1 3.86Å; L983-L987 HydrophobicContact CD2-CG 4.21Å; L983-L987 PolarHBondContact O-N 3.36Å; L983-L987 VanDerWaalsContact O-N 3.13Å
984L68.6Low78.4Confident3 Ų384.8 Ų84.82%0.01643%0.427CS..Hα-helixtrans-68.6-49.4-171.6179.774.5000114.2F835 V836 M839 T982 N986 L987 M988F835-L984 HydrophobicContact CD1-CD2 3.8Å; F835-L984 HydrophobicContact CE1-CD2 3.9Å; V836-L984 HydrophobicContact CB-CD2 4.09Å; V836-L984 HydrophobicContact CG1-CB 4.35Å; V836-L984 HydrophobicContact CG1-CD2 4.26Å; V836-L984 HydrophobicContact CG2-CD2 3.82Å; M839-L984 HydrophobicContact CB-CD1 3.58Å; M839-L984 HydrophobicContact CB-CD2 4.43Å; M839-L984 HydrophobicContact CG-CD1 4.27Å; M839-L984 HydrophobicContact CG-CD2 4.38Å; T982-L984 PolarHBondContact O-N 2.85Å; T982-L984 VanDerWaalsContact O-N 3.12Å; L984-N986 PolarHBondContact O-N 3.44Å; L984-L987 PolarHBondContact O-N 3.1Å; L984-M988 HydrophobicContact CD1-CG 3.94Å; L984-M988 HydrophobicContact CD1-SD 4.23Å; L984-M988 HydrophobicContact CD2-SD 4.16Å; L984-M988 HydrophobicContact CG-CG 4.06Å; L984-M988 HydrophobicContact CG-SD 4Å; L984-M988 WeakPolarHBondContact O-CG 3.28Å; L984-M988 PolarHBondContact O-N 3.38Å
985P68.6Low78.9Confident12 Ų1279.9 Ų79.98%0.07840%0.398CS..Hα-helixtrans-44-48.4170.4-30.327.7000112.8L978 D979 T982 L987 M988 E989L978-P985 HydrophobicContact CD2-CG 4.47Å; D979-P985 WeakPolarHBondContact O-CG 3.35Å; T982-P985 VanDerWaalsContact O-CD 3.29Å; T982-P985 WeakPolarHBondContact O-CD 3.43Å; T982-P985 WeakPolarHBondContact OG1-CD 3.44Å; P985-L987 PolarHBondContact O-N 3.24Å; P985-M988 PolarHBondContact O-N 3.12Å; P985-E989 WeakPolarHBondContact O-CB 3.47Å; P985-E989 VanDerWaalsContact O-CG 3.27Å; P985-E989 WeakPolarHBondContact O-CG 3.16Å; P985-E989 PolarHBondContact O-N 3.14Å
986N75.6Confident79.1Confident99 Ų9976.8 Ų76.853%0.52939%0.387SS..Hα-helixtrans-64-42.6178.7-62.6-10.5000112.4L983 L984 E989 L990L983-N986 PolarHBondContact O-N 3.46Å; L984-N986 PolarHBondContact O-N 3.44Å; N986-E989 PolarHBondContact O-N 3.08Å; N986-L990 WeakPolarHBondContact O-CB 3.41Å; N986-L990 PolarHBondContact O-N 2.97Å
987L74.1Confident79.3Confident76 Ų7673.3 Ų73.340%0.39837%0.37SS..Hα-helixtrans-64.4-39.5175.7-75.3173.8000112.5L983 L984 P985 L990 Y991L983-L987 HydrophobicContact CD2-CD1 3.86Å; L983-L987 HydrophobicContact CD2-CG 4.21Å; L983-L987 PolarHBondContact O-N 3.36Å; L983-L987 VanDerWaalsContact O-N 3.13Å; L984-L987 PolarHBondContact O-N 3.1Å; P985-L987 PolarHBondContact O-N 3.24Å; L987-L990 WeakPolarHBondContact O-CB 3.5Å; L987-L990 PolarHBondContact O-N 3.18Å; L987-Y991 WeakPolarHBondContact O-CB 3.45Å; L987-Y991 PolarHBondContact O-N 3.13Å
988M78.2Confident79.5Confident6 Ų671.7 Ų71.73%0.0335%0.351CS..Hα-helixtrans-74.7-33.9178.4-69.1-170.668.900111.9I812 A815 F835 M839 I887 L984 P985 L990 Y991 F992I812-M988 HydrophobicContact CB-CE 4.3Å; I812-M988 HydrophobicContact CD1-CB 3.76Å; I812-M988 HydrophobicContact CG1-CB 3.87Å; I812-M988 HydrophobicContact CG1-CE 4.29Å; I812-M988 HydrophobicContact CG2-CB 4.3Å; I812-M988 HydrophobicContact CG2-CE 3.91Å; I812-M988 HydrophobicContact CG2-SD 3.85Å; A815-M988 HydrophobicContact CB-CE 4.15Å; F835-M988 HydrophobicContact CE1-CE 4.43Å; F835-M988 HydrophobicContact CE1-SD 3.75Å; F835-M988 HydrophobicContact CZ-CE 3.9Å; F835-M988 HydrophobicContact CZ-SD 3.81Å; M839-M988 HydrophobicContact CB-SD 4.39Å; M839-M988 HydrophobicContact CG-CE 4.16Å; M839-M988 HydrophobicContact CG-SD 3.7Å; M839-M988 HydrophobicContact SD-CE 3.64Å; M839-M988 HydrophobicContact SD-SD 4.03Å; I887-M988 HydrophobicContact CD1-CE 4.04Å; L984-M988 HydrophobicContact CD1-CG 3.94Å; L984-M988 HydrophobicContact CD1-SD 4.23Å; L984-M988 HydrophobicContact CD2-SD 4.16Å; L984-M988 HydrophobicContact CG-CG 4.06Å; L984-M988 HydrophobicContact CG-SD 4Å; L984-M988 WeakPolarHBondContact O-CG 3.28Å; L984-M988 PolarHBondContact O-N 3.38Å; P985-M988 PolarHBondContact O-N 3.12Å; M988-L990 VanDerWaalsContact C-N 3.32Å; M988-Y991 WeakPolarHBondContact O-CB 3.41Å; M988-Y991 PolarHBondContact O-N 3.29Å; M988-F992 HydrophobicContact CE-CE2 3.9Å; M988-F992 VanDerWaalsContact O-CD2 3.27Å; M988-F992 WeakPolarHBondContact O-CD2 3.27Å; M988-F992 PolarHBondContact O-N 2.97Å
989E80.9Confident79.9Confident85 Ų8570 Ų7040%0.39734%0.342SS..Hα-helixtrans-60.4-45.4169.2-78.8-179.9-175.800109.9I812 P985 N986 Y991 F992 S993 M1026I812-E989 HydrophobicContact CD1-CB 4.36Å; I812-E989 HydrophobicContact CD1-CG 3.54Å; P985-E989 WeakPolarHBondContact O-CB 3.47Å; P985-E989 VanDerWaalsContact O-CG 3.27Å; P985-E989 WeakPolarHBondContact O-CG 3.16Å; P985-E989 PolarHBondContact O-N 3.14Å; N986-E989 PolarHBondContact O-N 3.08Å; E989-Y991 VanDerWaalsContact C-N 3.34Å; E989-Y991 PolarHBondContact O-N 3.02Å; E989-F992 PolarHBondContact O-N 3.46Å; E989-S993 WeakPolarHBondContact O-CA 3.43Å; E989-S993 VanDerWaalsContact O-CB 3.28Å; E989-S993 WeakPolarHBondContact O-CB 3.44Å; E989-S993 PolarHBondContact O-N 3.33Å; E989-M1026 HydrophobicContact CB-CE 3.93Å
990L79Confident80.2Confident120 Ų12069.1 Ų69.163%0.62833%0.333SS*.Hα-helixtrans-60-43.6172.2-173.170.1000111.7N986 L987 M988 F992 S993N986-L990 WeakPolarHBondContact O-CB 3.41Å; N986-L990 PolarHBondContact O-N 2.97Å; L987-L990 WeakPolarHBondContact O-CB 3.5Å; L987-L990 PolarHBondContact O-N 3.18Å; M988-L990 VanDerWaalsContact C-N 3.32Å; L990-F992 PolarHBondContact O-N 3.34Å; L990-S993 WeakPolarHBondContact O-CB 3.41Å; L990-S993 PolarHBondContact O-N 2.89Å; L990-S993 PolarHBondContact O-OG 3.38Å
991Y84.3Confident80.9Confident127 Ų12766.5 Ų66.550%0.49832%0.323SS..Hα-helixtrans-60.6-47178.7-175.4-83.1000112.3W883 I887 L987 M988 E989 S993W883-Y991 HydrophobicContact CH2-CE2 4.43Å; W883-Y991 HydrophobicContact CZ2-CE2 4.31Å; I887-Y991 HydrophobicContact CG2-CD1 4.1Å; I887-Y991 HydrophobicContact CG2-CE1 3.17Å; I887-Y991 VanDerWaalsContact CG2-CZ 3.49Å; I887-Y991 WeakPolarHBondContact CG2-OH 3.46Å; L987-Y991 WeakPolarHBondContact O-CB 3.45Å; L987-Y991 PolarHBondContact O-N 3.13Å; M988-Y991 WeakPolarHBondContact O-CB 3.41Å; M988-Y991 PolarHBondContact O-N 3.29Å; E989-Y991 VanDerWaalsContact C-N 3.34Å; E989-Y991 PolarHBondContact O-N 3.02Å; Y991-S993 VanDerWaalsContact C-N 3.33Å
992F89.2Confident81.6Confident3 Ų359.6 Ų59.61%0.01329%0.286CS..Hα-helixtrans-82.3-8.9179.1-71.6-67.3000113.3P811 I812 I887 M988 E989 L990 E994 A995 N996P811-F992 HydrophobicContact CB-CD1 3.86Å; P811-F992 HydrophobicContact CB-CD2 4.05Å; P811-F992 HydrophobicContact CB-CE1 3.86Å; P811-F992 HydrophobicContact CB-CE2 4.04Å; P811-F992 HydrophobicContact CB-CG 3.97Å; P811-F992 HydrophobicContact CB-CZ 3.94Å; P811-F992 HydrophobicContact CG-CB 4.05Å; P811-F992 HydrophobicContact CG-CD1 4.05Å; P811-F992 HydrophobicContact CG-CD2 3.97Å; P811-F992 HydrophobicContact CG-CE2 4.44Å; P811-F992 HydrophobicContact CG-CG 3.75Å; I812-F992 HydrophobicContact CG1-CD2 3.81Å; I812-F992 HydrophobicContact CG1-CE2 4.13Å; I887-F992 HydrophobicContact CD1-CE2 4.03Å; I887-F992 HydrophobicContact CD1-CZ 3.75Å; I887-F992 HydrophobicContact CG2-CE1 4.37Å; I887-F992 HydrophobicContact CG2-CZ 4.28Å; M988-F992 HydrophobicContact CE-CE2 3.9Å; M988-F992 VanDerWaalsContact O-CD2 3.27Å; M988-F992 WeakPolarHBondContact O-CD2 3.27Å; M988-F992 PolarHBondContact O-N 2.97Å; E989-F992 PolarHBondContact O-N 3.46Å; L990-F992 PolarHBondContact O-N 3.34Å; F992-E994 PolarHBondContact O-N 3.42Å; F992-A995 PolarHBondContact O-N 3.3Å; F992-N996 WeakPolarHBondContact O-CB 3.25Å; F992-N996 VanDerWaalsContact O-CG 3.29Å; F992-N996 PolarHBondContact O-N 3.46Å
993S86.9Confident82.4Confident34 Ų3458.1 Ų58.124%0.23828%0.277CS..Hα-helixtrans-54.7-48.4-17466.30000113.3E989 L990 Y991 N996 H997 M1026E989-S993 WeakPolarHBondContact O-CA 3.43Å; E989-S993 VanDerWaalsContact O-CB 3.28Å; E989-S993 WeakPolarHBondContact O-CB 3.44Å; E989-S993 PolarHBondContact O-N 3.33Å; L990-S993 WeakPolarHBondContact O-CB 3.41Å; L990-S993 PolarHBondContact O-N 2.89Å; L990-S993 PolarHBondContact O-OG 3.38Å; Y991-S993 VanDerWaalsContact C-N 3.33Å; S993-N996 PolarHBondContact O-N 3.16Å; S993-H997 WeakPolarHBondContact O-CB 3.42Å; S993-H997 PolarHBondContact O-N 2.95Å; S993-M1026 WeakPolarHBondContact CA-SD 3.33Å; S993-M1026 WeakPolarHBondContact CB-SD 3.41Å
994E86.2Confident83.1Confident123 Ų12358.5 Ų58.558%0.57528%0.275SS*.Hα-helixtrans-64.1-45.8-179.5-168.2-168.9154.800111.5F992 H997 K998F992-E994 PolarHBondContact O-N 3.42Å; E994-H997 PolarHBondContact O-N 2.84Å; E994-K998 HydrophobicContact CG-CD 4.4Å; E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 VanDerWaalsContact O-CG 3.29Å; E994-K998 WeakPolarHBondContact O-CG 3.31Å; E994-K998 PolarHBondContact O-N 3.25Å; E994-K998 VanDerWaalsContact OE1-CE 3.3Å; E994-K998 WeakPolarHBondContact OE1-CE 3.35Å; E994-K998 IonicContact OE1-NZ 3.17Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å
995A88.4Confident83.5Confident15 Ų1565.2 Ų65.212%0.12431%0.305CS..Hα-helixtrans-64.3-39.9177.600000112.1N891 F992 K998 L999N891-A995 WeakPolarHBondContact OD1-CB 3.38Å; F992-A995 PolarHBondContact O-N 3.3Å; A995-K998 PolarHBondContact O-N 2.9Å; A995-L999 WeakPolarHBondContact O-CB 3.25Å; A995-L999 PolarHBondContact O-N 2.74Å
996N90.6Very high83.9Confident8 Ų868.3 Ų68.34%0.04332%0.315CS..Hα-helixtrans-69.6-38.2177.3-73.7-15.7000111.8F992 S993 L999 Y1000 W1023F992-N996 WeakPolarHBondContact O-CB 3.25Å; F992-N996 VanDerWaalsContact O-CG 3.29Å; F992-N996 PolarHBondContact O-N 3.46Å; S993-N996 PolarHBondContact O-N 3.16Å; N996-L999 WeakPolarHBondContact O-CB 3.43Å; N996-L999 PolarHBondContact O-N 3.17Å; N996-Y1000 WeakPolarHBondContact O-CB 3.45Å; N996-Y1000 PolarHBondContact O-N 3.17Å; N996-W1023 PolarHBondContact ND2-O 2.93Å
997H87.4Confident83.7Confident85 Ų8569 Ų6939%0.39433%0.325SS..Hα-helixtrans-65.2-43.1174.2-16952.4000111.8S993 E994 L999 Y1000 R1001S993-H997 WeakPolarHBondContact O-CB 3.42Å; S993-H997 PolarHBondContact O-N 2.95Å; E994-H997 PolarHBondContact O-N 2.84Å; H997-L999 VanDerWaalsContact C-N 3.33Å; H997-L999 PolarHBondContact O-N 3.33Å; H997-Y1000 WeakPolarHBondContact O-CB 3.29Å; H997-Y1000 PolarHBondContact O-N 2.82Å; H997-R1001 PolarHBondContact NE2-NH2 3.25Å; H997-R1001 WeakPolarHBondContact O-CG 3.11Å; H997-R1001 PolarHBondContact O-N 3.3Å
998K88.5Confident83.6Confident82 Ų8265.7 Ų65.736%0.35731%0.308SS..Hα-helixtrans-60.3-43.7171.8-73.3171.9171.6171.40110.9E893 E994 A995 Y1000 R1001 L1002E893-K998 HydrophobicContact CB-CB 4.24Å; E893-K998 HydrophobicContact CG-CB 3.74Å; E994-K998 HydrophobicContact CG-CD 4.4Å; E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 VanDerWaalsContact O-CG 3.29Å; E994-K998 WeakPolarHBondContact O-CG 3.31Å; E994-K998 PolarHBondContact O-N 3.25Å; E994-K998 VanDerWaalsContact OE1-CE 3.3Å; E994-K998 WeakPolarHBondContact OE1-CE 3.35Å; E994-K998 IonicContact OE1-NZ 3.17Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å; A995-K998 PolarHBondContact O-N 2.9Å; K998-Y1000 PolarHBondContact O-N 3.49Å; K998-R1001 PolarHBondContact O-N 3.11Å; K998-L1002 PolarHBondContact O-N 2.9Å
999L91.1Very high83.3Confident1 Ų167.5 Ų67.51%0.00531%0.314CS..Hα-helixtrans-59.8-46176.2179.463.3000111.1Y892 E893 L896 A995 N996 H997 R1001 L1002 L1003 W1023 I1024Y892-L999 HydrophobicContact CD2-CD2 4.12Å; E893-L999 HydrophobicContact CB-CB 4Å; E893-L999 HydrophobicContact CB-CD1 4.44Å; L896-L999 HydrophobicContact CD1-CD1 3.66Å; A995-L999 WeakPolarHBondContact O-CB 3.25Å; A995-L999 PolarHBondContact O-N 2.74Å; N996-L999 WeakPolarHBondContact O-CB 3.43Å; N996-L999 PolarHBondContact O-N 3.17Å; H997-L999 VanDerWaalsContact C-N 3.33Å; H997-L999 PolarHBondContact O-N 3.33Å; L999-R1001 VanDerWaalsContact C-N 3.34Å; L999-R1001 PolarHBondContact O-N 3.11Å; L999-L1002 WeakPolarHBondContact O-CB 3.31Å; L999-L1002 PolarHBondContact O-N 3.3Å; L999-L1002 VanDerWaalsContact O-N 3.14Å; L999-L1003 HydrophobicContact CD1-CD1 4.25Å; L999-L1003 HydrophobicContact CD1-CG 4.17Å; L999-L1003 HydrophobicContact CG-CD1 4.07Å; L999-L1003 HydrophobicContact CG-CG 4.37Å; L999-L1003 VanDerWaalsContact O-CG 3.31Å; L999-L1003 WeakPolarHBondContact O-CG 3.46Å; L999-L1003 PolarHBondContact O-N 3.34Å; L999-W1023 HydrophobicContact CD2-CZ3 4.11Å; L999-I1024 HydrophobicContact CD2-CD1 4.15Å; L999-I1024 HydrophobicContact CD2-CG1 4.27Å
1000Y87.6Confident82.2Confident66 Ų6664.7 Ų64.726%0.25930%0.304SS..Hα-helixtrans-55.6-48.8177.1176.2-100.5000111.2N996 H997 K998 L1002 L1003 Q1004 L1020 I1024 K1025N996-Y1000 WeakPolarHBondContact O-CB 3.45Å; N996-Y1000 PolarHBondContact O-N 3.17Å; H997-Y1000 WeakPolarHBondContact O-CB 3.29Å; H997-Y1000 PolarHBondContact O-N 2.82Å; K998-Y1000 PolarHBondContact O-N 3.49Å; Y1000-L1002 PolarHBondContact O-N 3.28Å; Y1000-L1003 PolarHBondContact O-N 2.95Å; Y1000-Q1004 VanDerWaalsContact CE1-CD 3.42Å; Y1000-Q1004 HydrophobicContact CE1-CG 4.18Å; Y1000-Q1004 VanDerWaalsContact CZ-NE2 3.3Å; Y1000-Q1004 WeakPolarHBondContact O-CG 3.37Å; Y1000-Q1004 PolarHBondContact O-N 2.76Å; Y1000-Q1004 PolarHBondContact OH-NE2 3.3Å; Y1000-L1020 HydrophobicContact CD2-CD1 3.46Å; Y1000-L1020 VanDerWaalsContact CD2-CD1 3.46Å; Y1000-L1020 HydrophobicContact CE2-CD1 3.6Å; Y1000-I1024 HydrophobicContact CD2-CG2 4.18Å; Y1000-K1025 HydrophobicContact CE2-CG 4.33Å
1001R85.3Confident80.7Confident144 Ų14462 Ų6254%0.54330%0.295SS..Hα-helixtrans-61.6-40.6175.3-68.3176.8-178175.9-2.6112.6H997 K998 L999 L1003 Q1004 K1005H997-R1001 PolarHBondContact NE2-NH2 3.25Å; H997-R1001 WeakPolarHBondContact O-CG 3.11Å; H997-R1001 PolarHBondContact O-N 3.3Å; K998-R1001 PolarHBondContact O-N 3.11Å; L999-R1001 VanDerWaalsContact C-N 3.34Å; L999-R1001 PolarHBondContact O-N 3.11Å; R1001-L1003 VanDerWaalsContact C-N 3.33Å; R1001-L1003 PolarHBondContact O-N 2.77Å; R1001-Q1004 PolarHBondContact O-N 3.14Å; R1001-K1005 PolarHBondContact O-N 3.12Å
1002L86.4Confident78.9Confident6 Ų662 Ų623%0.03131%0.309CS..Hα-helixtrans-61.5-42.6176.8-174.171.2000111.3E893 L896 R897 L900 K998 L999 Y1000 Q1004 K1005 Y1006E893-L1002 HydrophobicContact CG-CB 4.31Å; E893-L1002 HydrophobicContact CG-CD2 4.18Å; L896-L1002 HydrophobicContact CB-CD2 3.88Å; R897-L1002 HydrophobicContact CG-CD1 4.09Å; R897-L1002 HydrophobicContact CG-CD2 4.2Å; L900-L1002 HydrophobicContact CD1-CD1 4.05Å; L900-L1002 HydrophobicContact CD1-CD2 4.15Å; L900-L1002 HydrophobicContact CD1-CG 4.36Å; K998-L1002 PolarHBondContact O-N 2.9Å; L999-L1002 WeakPolarHBondContact O-CB 3.31Å; L999-L1002 PolarHBondContact O-N 3.3Å; L999-L1002 VanDerWaalsContact O-N 3.14Å; Y1000-L1002 PolarHBondContact O-N 3.28Å; L1002-Q1004 VanDerWaalsContact C-N 3.35Å; L1002-K1005 PolarHBondContact O-N 2.96Å; L1002-Y1006 HydrophobicContact CD1-CD2 3.75Å; L1002-Y1006 HydrophobicContact CD1-CE2 3.79Å; L1002-Y1006 HydrophobicContact CG-CD2 4.3Å; L1002-Y1006 PolarHBondContact O-N 3.44Å
1003L86.1Confident77Confident13 Ų1365.1 Ų65.17%0.06833%0.325CS..Hα-helixtrans-72.7-24.1178.4-64.5178.6000113.4L910 L999 Y1000 R1001 Y1006 L1008 W1009 L1020 I1024L910-L1003 HydrophobicContact CD1-CD2 3.52Å; L999-L1003 HydrophobicContact CD1-CD1 4.25Å; L999-L1003 HydrophobicContact CD1-CG 4.17Å; L999-L1003 HydrophobicContact CG-CD1 4.07Å; L999-L1003 HydrophobicContact CG-CG 4.37Å; L999-L1003 VanDerWaalsContact O-CG 3.31Å; L999-L1003 WeakPolarHBondContact O-CG 3.46Å; L999-L1003 PolarHBondContact O-N 3.34Å; Y1000-L1003 PolarHBondContact O-N 2.95Å; R1001-L1003 VanDerWaalsContact C-N 3.33Å; R1001-L1003 PolarHBondContact O-N 2.77Å; L1003-Y1006 CarbonylContact C-O 3.56Å; L1003-Y1006 CarbonylContact O-C 3.55Å; L1003-L1008 HydrophobicContact CD2-CB 4.07Å; L1003-L1008 HydrophobicContact CD2-CD1 4.3Å; L1003-W1009 HydrophobicContact CD1-CE3 4.29Å; L1003-L1020 HydrophobicContact CD1-CD2 3.81Å; L1003-I1024 HydrophobicContact CD1-CD1 3.88Å; L1003-I1024 HydrophobicContact CD1-CG2 4.44Å
1004Q81.4Confident74.9Confident120 Ų12065.9 Ų65.956%0.56133%0.328SS*.Hα-helixtrans-70.5-40167.5-72.4-178.7-3900111.4Y1000 R1001 L1002Y1000-Q1004 VanDerWaalsContact CE1-CD 3.42Å; Y1000-Q1004 HydrophobicContact CE1-CG 4.18Å; Y1000-Q1004 VanDerWaalsContact CZ-NE2 3.3Å; Y1000-Q1004 WeakPolarHBondContact O-CG 3.37Å; Y1000-Q1004 PolarHBondContact O-N 2.76Å; Y1000-Q1004 PolarHBondContact OH-NE2 3.3Å; R1001-Q1004 PolarHBondContact O-N 3.14Å; L1002-Q1004 VanDerWaalsContact C-N 3.35Å
1005K77.1Confident72.6Confident145 Ų14568 Ų6863%0.6334%0.343SS*.Hα-helixtrans-70.4-41.3-179.6-176.8178.5177.1-176.70112.5R1001 L1002R1001-K1005 PolarHBondContact O-N 3.12Å; L1002-K1005 PolarHBondContact O-N 2.96Å
1006Y77.2Confident70.2Confident77 Ų7773.5 Ų73.530%0.30237%0.37SS..SBendtrans-118119177.5-58.6-82000108.9L900 A905 L1002 L1003 L1008L900-Y1006 HydrophobicContact CD1-CD2 3.97Å; L900-Y1006 HydrophobicContact CD1-CE2 4.1Å; L900-Y1006 HydrophobicContact CD1-CG 4.48Å; A905-Y1006 HydrophobicContact CB-CD1 3.98Å; A905-Y1006 HydrophobicContact CB-CG 4.45Å; L1002-Y1006 HydrophobicContact CD1-CD2 3.75Å; L1002-Y1006 HydrophobicContact CD1-CE2 3.79Å; L1002-Y1006 HydrophobicContact CG-CD2 4.3Å; L1002-Y1006 PolarHBondContact O-N 3.44Å; L1003-Y1006 CarbonylContact C-O 3.56Å; L1003-Y1006 CarbonylContact O-C 3.55Å; Y1006-L1008 PolarHBondContact O-N 3.46Å
1007P71.9Confident67.9Low113 Ų11377.9 Ų77.973%0.73440%0.397SS*.  trans-74.650.3179.633.4-36.6000112W1009P1007-W1009 PolarHBondContact O-N 2.95Å
1008L72Confident66.1Low7 Ų781.8 Ų81.84%0.03742%0.415CS..  trans-63.4-26.9176.6-69.2170.1000112.1L900 A905 L908 L910 L1003 Y1006 S1010L900-L1008 HydrophobicContact CD1-CD1 4.17Å; L900-L1008 HydrophobicContact CD2-CD1 4.36Å; L900-L1008 HydrophobicContact CD2-CD2 4.41Å; A905-L1008 HydrophobicContact CB-CD2 3.51Å; A905-L1008 HydrophobicContact CB-CG 4.24Å; A905-L1008 WeakPolarHBondContact O-CD2 3.25Å; L908-L1008 HydrophobicContact CB-CD2 3.86Å; L910-L1008 HydrophobicContact CD1-CB 3.7Å; L910-L1008 HydrophobicContact CD1-CD1 4.25Å; L910-L1008 HydrophobicContact CG-CB 4.02Å; L1003-L1008 HydrophobicContact CD2-CB 4.07Å; L1003-L1008 HydrophobicContact CD2-CD1 4.3Å; Y1006-L1008 PolarHBondContact O-N 3.46Å; L1008-S1010 PolarHBondContact O-N 3.37Å
1009W72.4Confident65.1Low44 Ų4485 Ų8517%0.16743%0.429CS..SBendtrans-88.788.6176.7-152.8-86.9000108.8L808 L910 D912 L1003 P1007 S1011 L1020 P1021L808-W1009 HydrophobicContact CD1-CZ3 4.16Å; L910-W1009 HydrophobicContact CB-CE3 3.64Å; L910-W1009 HydrophobicContact CB-CZ3 3.8Å; L910-W1009 HydrophobicContact CD1-CE3 4.02Å; L910-W1009 HydrophobicContact CD1-CZ3 4.42Å; L910-W1009 HydrophobicContact CG-CE3 4.5Å; D912-W1009 HydrophobicContact CB-CH2 4.19Å; D912-W1009 HydrophobicContact CB-CZ2 3.84Å; L1003-W1009 HydrophobicContact CD1-CE3 4.29Å; P1007-W1009 PolarHBondContact O-N 2.95Å; W1009-S1011 PolarHBondContact O-N 3.31Å; W1009-S1011 VanDerWaalsContact O-N 3.09Å; W1009-L1020 HydrophobicContact CB-CD2 4.02Å; W1009-L1020 HydrophobicContact CD2-CD2 3.96Å; W1009-L1020 HydrophobicContact CG-CD2 3.66Å; W1009-P1021 HydrophobicContact CH2-CG 3.75Å; W1009-P1021 HydrophobicContact CZ2-CG 3.42Å; W1009-P1021 VanDerWaalsContact CZ2-CG 3.42Å
1010S56.8Low64.5Low26 Ų2686.2 Ų86.218%0.18244%0.436CS..  trans-58.3112-173.2173.40000112.9L1008 L1013 T1014L1008-S1010 PolarHBondContact O-N 3.37Å; S1010-L1013 WeakPolarHBondContact OG-CB 3.49Å; S1010-L1013 WeakPolarHBondContact OG-CG 3.45Å; S1010-L1013 PolarHBondContact OG-N 3.11Å; S1010-L1013 VanDerWaalsContact OG-N 3.12Å; S1010-T1014 PolarHBondContact O-OG1 2.67Å
1011S48.3Very low64.4Low62 Ų6283.5 Ų83.543%0.43443%0.426SS..SBendtrans-85.7-21.5164.959.70000112.9W1009 T1014W1009-S1011 PolarHBondContact O-N 3.31Å; W1009-S1011 VanDerWaalsContact O-N 3.09Å; S1011-T1014 WeakPolarHBondContact CA-OG1 3.23Å
1012T46.2Very low64.2Low129 Ų12981.6 Ų81.679%0.79144%0.435SS*.SBendtrans-80.3-25.9-175.432.60000113.6
1013L49.3Very low64.1Low68 Ų6882.3 Ų82.336%0.35644%0.437SS..SBendtrans-94.6-12.5174.2-56172000112.3I926 S1010I926-L1013 HydrophobicContact CG1-CB 4.07Å; I926-L1013 HydrophobicContact CG2-CB 4.13Å; I926-L1013 HydrophobicContact CG2-CD1 3.98Å; S1010-L1013 WeakPolarHBondContact OG-CB 3.49Å; S1010-L1013 WeakPolarHBondContact OG-CG 3.45Å; S1010-L1013 PolarHBondContact OG-N 3.11Å; S1010-L1013 VanDerWaalsContact OG-N 3.12Å
1014T42.9Very low63.9Low50 Ų5081.8 Ų81.831%0.30743%0.434SS..SBendtrans-103.2103173.249.70000109.3I926 S1010 S1011 N1016I926-T1014 HydrophobicContact CD1-CG2 3.42Å; I926-T1014 VanDerWaalsContact CD1-CG2 3.42Å; S1010-T1014 PolarHBondContact O-OG1 2.67Å; S1011-T1014 WeakPolarHBondContact CA-OG1 3.23Å; T1014-N1016 PolarHBondContact O-N 3.01Å
1015L36.8Very low63.4Low168 Ų16881.4 Ų81.488%0.8843%0.431SS*.SBendtrans-60.615.5176.5-88.4157.3000115.2
1016N38.1Very low62.4Low129 Ų12978 Ų7869%0.6942%0.418SS*.SBendtrans-149.5101.3179.3-90.2-39.8000113.8T1014T1014-N1016 PolarHBondContact O-N 3.01Å
1017T42.5Very low61Low100 Ų10079.8 Ų79.861%0.61344%0.442SS*.  trans64.3134.9149.266.70000119.7K1019T1017-K1019 PolarHBondContact O-N 3Å
1018H49.6Very low59.5Low167 Ų16785.3 Ų85.377%0.77347%0.465SS*.  trans-50.920.6172.2-72.5-81.3000117.9L1020H1018-L1020 PolarHBondContact O-N 3.33Å; H1018-L1020 VanDerWaalsContact O-N 3.09Å
1019K67.7Low58.9Low150 Ų15089.3 Ų89.365%0.65249%0.487SS*.  trans-85.890.8-179.7-68.5-172.7179.8-1790109.4T1017T1017-K1019 PolarHBondContact O-N 3Å
1020L79.9Confident58.1Low26 Ų2691.6 Ų91.614%0.13650%0.504CS..  trans-45.1146.4151.7-70.1172.6000109.1Y1000 L1003 W1009 H1018 S1022 I1024Y1000-L1020 HydrophobicContact CD2-CD1 3.46Å; Y1000-L1020 VanDerWaalsContact CD2-CD1 3.46Å; Y1000-L1020 HydrophobicContact CE2-CD1 3.6Å; L1003-L1020 HydrophobicContact CD1-CD2 3.81Å; W1009-L1020 HydrophobicContact CB-CD2 4.02Å; W1009-L1020 HydrophobicContact CD2-CD2 3.96Å; W1009-L1020 HydrophobicContact CG-CD2 3.66Å; H1018-L1020 PolarHBondContact O-N 3.33Å; H1018-L1020 VanDerWaalsContact O-N 3.09Å; L1020-S1022 PolarHBondContact O-N 3.05Å; L1020-I1024 HydrophobicContact CB-CB 4.41Å; L1020-I1024 HydrophobicContact CD1-CG2 4.16Å; L1020-I1024 HydrophobicContact CD2-CD1 4.4Å
1021P83.5Confident58.2Low10 Ų1095.3 Ų95.37%0.06552%0.521CS..  trans-48.1142.6173.4-25.130000111.6W1009 W1023 I1024W1009-P1021 HydrophobicContact CH2-CG 3.75Å; W1009-P1021 HydrophobicContact CZ2-CG 3.42Å; W1009-P1021 VanDerWaalsContact CZ2-CG 3.42Å; P1021-W1023 HydrophobicContact CB-CD2 4.09Å; P1021-W1023 VanDerWaalsContact CB-CE2 3.48Å; P1021-W1023 HydrophobicContact CB-CG 4.16Å; P1021-W1023 HydrophobicContact CB-CZ2 3.96Å; P1021-W1023 HydrophobicContact CG-CZ2 3.95Å; P1021-W1023 PolarHBondContact O-N 3.39Å; P1021-W1023 VanDerWaalsContact O-N 3.14Å; P1021-I1024 HydrophobicContact CB-CD1 4.46Å; P1021-I1024 HydrophobicContact CB-CG1 4.29Å; P1021-I1024 HydrophobicContact CG-CD1 4.04Å; P1021-I1024 HydrophobicContact CG-CG1 4.41Å; P1021-I1024 WeakPolarHBondContact O-CB 3.34Å; P1021-I1024 PolarHBondContact O-N 3.28Å
1022S81.2Confident58.8Low104 Ų10497.2 Ų97.273%0.72753%0.527SS*.THydrogen-bonded Turntrans-57.5-32.7-176.955.30000112.4L1020 I1024 K1025L1020-S1022 PolarHBondContact O-N 3.05Å; S1022-I1024 PolarHBondContact O-N 3.3Å; S1022-K1025 CarbonylContact O-C 3.52Å; S1022-K1025 PolarHBondContact O-N 3.17Å; S1022-K1025 VanDerWaalsContact O-N 3.15Å
1023W84.9Confident59.6Low20 Ų2095.3 Ų95.38%0.07651%0.51CS..THydrogen-bonded Turntrans-70.9-13.3178.258.5-102.2000114.3L808 N810 Y892 N996 L999 P1021L808-W1023 HydrophobicContact CB-CH2 3.88Å; L808-W1023 HydrophobicContact CB-CZ2 4.13Å; L808-W1023 HydrophobicContact CD1-CH2 4.49Å; N810-W1023 HydrophobicContact CB-CB 4.12Å; N810-W1023 HydrophobicContact CB-CD2 4.31Å; N810-W1023 HydrophobicContact CB-CG 3.8Å; Y892-W1023 HydrophobicContact CD2-CH2 4.11Å; Y892-W1023 AromaticContact CD2-CZ3 3.98Å; Y892-W1023 HydrophobicContact CD2-CZ3 3.98Å; Y892-W1023 AromaticContact CE2-CH2 3.91Å; Y892-W1023 HydrophobicContact CE2-CH2 3.91Å; Y892-W1023 AromaticContact CE2-CZ3 3.89Å; Y892-W1023 HydrophobicContact CE2-CZ3 3.89Å; N996-W1023 PolarHBondContact ND2-O 2.93Å; L999-W1023 HydrophobicContact CD2-CZ3 4.11Å; P1021-W1023 HydrophobicContact CB-CD2 4.09Å; P1021-W1023 VanDerWaalsContact CB-CE2 3.48Å; P1021-W1023 HydrophobicContact CB-CG 4.16Å; P1021-W1023 HydrophobicContact CB-CZ2 3.96Å; P1021-W1023 HydrophobicContact CG-CZ2 3.95Å; P1021-W1023 PolarHBondContact O-N 3.39Å; P1021-W1023 VanDerWaalsContact O-N 3.14Å
1024I83Confident60.3Low2 Ų297.1 Ų97.11%0.0152%0.52CS..THydrogen-bonded Turntrans-83.7-31.7170.8-59.3-174.9000110.6L999 Y1000 L1003 L1020 P1021 S1022 M1026L999-I1024 HydrophobicContact CD2-CD1 4.15Å; L999-I1024 HydrophobicContact CD2-CG1 4.27Å; Y1000-I1024 HydrophobicContact CD2-CG2 4.18Å; L1003-I1024 HydrophobicContact CD1-CD1 3.88Å; L1003-I1024 HydrophobicContact CD1-CG2 4.44Å; L1020-I1024 HydrophobicContact CB-CB 4.41Å; L1020-I1024 HydrophobicContact CD1-CG2 4.16Å; L1020-I1024 HydrophobicContact CD2-CD1 4.4Å; P1021-I1024 HydrophobicContact CB-CD1 4.46Å; P1021-I1024 HydrophobicContact CB-CG1 4.29Å; P1021-I1024 HydrophobicContact CG-CD1 4.04Å; P1021-I1024 HydrophobicContact CG-CG1 4.41Å; P1021-I1024 WeakPolarHBondContact O-CB 3.34Å; P1021-I1024 PolarHBondContact O-N 3.28Å; S1022-I1024 PolarHBondContact O-N 3.3Å; I1024-M1026 PolarHBondContact O-N 3.23Å
1025K70.1Confident61.5Low112 Ų112100.4 Ų100.449%0.48754%0.536SS..  trans-90.993.4176.3-69.1-171.7178.3-169.10109.2Y1000 S1022Y1000-K1025 HydrophobicContact CE2-CG 4.33Å; S1022-K1025 CarbonylContact O-C 3.52Å; S1022-K1025 PolarHBondContact O-N 3.17Å; S1022-K1025 VanDerWaalsContact O-N 3.15Å
1026M55.9Low63.4Low75 Ų7595.2 Ų95.237%0.36951%0.509SS..  trans-81135.2161.1-66.1-166.167.600108E989 S993 I1024E989-M1026 HydrophobicContact CB-CE 3.93Å; S993-M1026 WeakPolarHBondContact CA-SD 3.33Å; S993-M1026 WeakPolarHBondContact CB-SD 3.41Å; I1024-M1026 PolarHBondContact O-N 3.23Å
1027S48.7Very low65.5Low113 Ų11392.4 Ų92.479%0.7949%0.494SS*.  trans-48.6138.6174.547.60000110.2
1028D39.4Very low67.6Low230 Ų23091.7 Ų91.7100%1.2348%0.483SS*.  trans-49.80174.6-74.9-40.9000113

Retrieved 1,028 of 1,028 residues in 673.1 ms (Link to these results)

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