G4LWA9_SCHMA Loading...

RWD domain-containing protein

AlphaFold DB , UniProt , Accession G4LWA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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
1M43.4Very low63Low233 Ų233105.5 Ų105.5100%1.14858%0.577SS**  0115.80-75.9-167.3-100.800106.9L3M1-L3 PolarHBondContact O-N 3.29Å
2N49.4Very low64.8Low170 Ų170102.3 Ų102.391%0.90956%0.563SS**PPolyproline II helixtrans-73.6117.2178.6-79.6-3.5000108.8
3L52.9Low66.5Low103 Ų10397 Ų9754%0.53953%0.532SS..PPolyproline II helixtrans-68138.3167.4-86.785.5000109M1 Q7M1-L3 PolarHBondContact O-N 3.29Å; L3-Q7 HydrophobicContact CD2-CB 4.07Å
4P62.6Low68.1Low79 Ų7990.2 Ų90.251%0.51350%0.495SS..PPolyproline II helixtrans-57.6143.1173.922.6-31.9000110.9G6 Q7 L8P4-G6 PolarHBondContact O-N 3.46Å; P4-Q7 VanDerWaalsContact CD-OE1 3.32Å; P4-Q7 HydrophobicContact CG-CB 4.3Å; P4-Q7 HydrophobicContact CG-CG 4Å; P4-Q7 PolarHBondContact O-N 3.45Å; P4-L8 PolarHBondContact O-N 3.05Å
5T63.2Low69.6Low131 Ų13187.6 Ų87.680%0.80449%0.49SS*.Hα-helixtrans-51.5-34.4-169.1-14.70000114.2L8 Y9T5-L8 PolarHBondContact O-N 2.79Å; T5-Y9 PolarHBondContact O-N 3.1Å
6G60.5Low70.9Confident44 Ų4489.1 Ų89.145%0.45449%0.492SS..Hα-helixtrans-69.7-36.6177.100000114.2P4 L8 Y9 D10P4-G6 PolarHBondContact O-N 3.46Å; G6-L8 VanDerWaalsContact C-N 3.29Å; G6-L8 PolarHBondContact O-N 3.16Å; G6-Y9 PolarHBondContact O-N 2.84Å; G6-D10 PolarHBondContact O-N 3.47Å
7Q62.2Low72.2Confident99 Ų9984.8 Ų84.846%0.46347%0.467SS..Hα-helixtrans-70-29.8176.1-74.7-179.1-1500112.1L3 P4 S11L3-Q7 HydrophobicContact CD2-CB 4.07Å; P4-Q7 VanDerWaalsContact CD-OE1 3.32Å; P4-Q7 HydrophobicContact CG-CB 4.3Å; P4-Q7 HydrophobicContact CG-CG 4Å; P4-Q7 PolarHBondContact O-N 3.45Å; Q7-S11 WeakPolarHBondContact O-CB 3.49Å; Q7-S11 PolarHBondContact O-N 2.74Å
8L67Low73.3Confident105 Ų10581.8 Ų81.855%0.5545%0.45SS..Hα-helixtrans-68.6-45.6175.2-152.2103000110.7P4 T5 G6 S11 T12P4-L8 PolarHBondContact O-N 3.05Å; T5-L8 PolarHBondContact O-N 2.79Å; G6-L8 VanDerWaalsContact C-N 3.29Å; G6-L8 PolarHBondContact O-N 3.16Å; L8-S11 PolarHBondContact O-N 3.38Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 3.31Å
9Y72.6Confident74.3Confident128 Ų12884.7 Ų84.750%0.50246%0.461SS..Hα-helixtrans-57.8-51.3175.9176-94.1000111.7T5 G6 S11 T12 E13T5-Y9 PolarHBondContact O-N 3.1Å; G6-Y9 PolarHBondContact O-N 2.84Å; Y9-S11 VanDerWaalsContact C-N 3.31Å; Y9-S11 PolarHBondContact O-N 2.78Å; Y9-T12 PolarHBondContact O-N 2.68Å; Y9-T12 VanDerWaalsContact O-N 3.14Å; Y9-E13 WeakPolarHBondContact CE1-OE2 3.1Å; Y9-E13 PolarHBondContact O-N 2.75Å; Y9-E13 PolarHBondContact OH-OE2 2.95Å
10D80Confident75.1Confident8 Ų884.7 Ų84.74%0.04346%0.463CS..Hα-helixtrans-56.7-44.8176.6-84.9-19.1000112.4G6 T12 A14 G65 Y66 P67 S68G6-D10 PolarHBondContact O-N 3.47Å; D10-T12 VanDerWaalsContact C-N 3.29Å; D10-T12 PolarHBondContact O-N 3.3Å; D10-A14 WeakPolarHBondContact O-CB 3.26Å; D10-A14 PolarHBondContact O-N 3.16Å; D10-G65 VanDerWaalsContact OD2-C 3.29Å; D10-G65 VanDerWaalsContact OD2-CA 3.29Å; D10-G65 WeakPolarHBondContact OD2-CA 3.4Å; D10-Y66 VanDerWaalsContact CB-O 3.3Å; D10-Y66 WeakPolarHBondContact CB-O 3.03Å; D10-P67 WeakPolarHBondContact OD1-CD 3.46Å; D10-S68 WeakPolarHBondContact OD1-CA 3.13Å; D10-S68 WeakPolarHBondContact OD1-CB 3.28Å; D10-S68 PolarHBondContact OD1-N 3.46Å; D10-S68 PolarHBondContact OD1-OG 3.21Å; D10-S68 WeakPolarHBondContact OD2-CB 3.15Å
11S78.7Confident76Confident61 Ų6180.7 Ų80.743%0.42744%0.441SS..Hα-helixtrans-65.5-33.4-179.9-171.80000112.8Q7 L8 Y9 A15Q7-S11 WeakPolarHBondContact O-CB 3.49Å; Q7-S11 PolarHBondContact O-N 2.74Å; L8-S11 PolarHBondContact O-N 3.38Å; Y9-S11 VanDerWaalsContact C-N 3.31Å; Y9-S11 PolarHBondContact O-N 2.78Å; S11-A15 VanDerWaalsContact O-CB 3.31Å; S11-A15 WeakPolarHBondContact O-CB 3.18Å; S11-A15 PolarHBondContact O-N 3.39Å
12T85.5Confident78.3Confident67 Ų6772 Ų7241%0.41140%0.403SS..Hα-helixtrans-73.6-53.2177.1-61.50000110.7L8 Y9 D10 A14 A15 E16L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 3.31Å; Y9-T12 PolarHBondContact O-N 2.68Å; Y9-T12 VanDerWaalsContact O-N 3.14Å; D10-T12 VanDerWaalsContact C-N 3.29Å; D10-T12 PolarHBondContact O-N 3.3Å; T12-A14 VanDerWaalsContact C-N 3.31Å; T12-A14 PolarHBondContact O-N 2.85Å; T12-A15 PolarHBondContact O-N 2.58Å; T12-A15 VanDerWaalsContact O-N 3.1Å; T12-E16 HydrophobicContact CG2-CG 4.44Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.38Å; T12-E16 WeakPolarHBondContact O-CG 3.2Å; T12-E16 PolarHBondContact O-N 3.34Å
13E87Confident80.4Confident33 Ų3367 Ų6715%0.15439%0.386CS..Hα-helixtrans-61.3-40.8-177.5-160-174156.200111.6Y9 A15 E16 E17 P67 T104Y9-E13 WeakPolarHBondContact CE1-OE2 3.1Å; Y9-E13 PolarHBondContact O-N 2.75Å; Y9-E13 PolarHBondContact OH-OE2 2.95Å; E13-A15 PolarHBondContact O-N 3.15Å; E13-E16 PolarHBondContact O-N 3.06Å; E13-E17 PolarHBondContact O-N 2.9Å; E13-P67 HydrophobicContact CB-CG 4.31Å; E13-P67 HydrophobicContact CG-CG 4.24Å; E13-P67 WeakPolarHBondContact OE2-CG 3.16Å; E13-T104 HydrophobicContact CG-CG2 3.76Å; E13-T104 PolarHBondContact OE1-N 3.47Å
14A88.7Confident82.1Confident2 Ų266 Ų662%0.01738%0.38CS..Hα-helixtrans-67.1-34177.200000113D10 T12 I18 Q62 Y66D10-A14 WeakPolarHBondContact O-CB 3.26Å; D10-A14 PolarHBondContact O-N 3.16Å; T12-A14 VanDerWaalsContact C-N 3.31Å; T12-A14 PolarHBondContact O-N 2.85Å; A14-I18 PolarHBondContact O-N 3.25Å; A14-Q62 PolarHBondContact O-NE2 3.44Å; A14-Q62 PolarHBondContact O-OE1 3.43Å; A14-Y66 HydrophobicContact CB-CD1 3.83Å; A14-Y66 HydrophobicContact CB-CE1 4.18Å
15A89.6Confident83.5Confident51 Ų5162.6 Ų62.642%0.42136%0.357SS..Hα-helixtrans-73.3-41.9176.300000111.8S11 T12 E13 E17 I18 E19S11-A15 VanDerWaalsContact O-CB 3.31Å; S11-A15 WeakPolarHBondContact O-CB 3.18Å; S11-A15 PolarHBondContact O-N 3.39Å; T12-A15 PolarHBondContact O-N 2.58Å; T12-A15 VanDerWaalsContact O-N 3.1Å; E13-A15 PolarHBondContact O-N 3.15Å; A15-E17 VanDerWaalsContact C-N 3.29Å; A15-E17 PolarHBondContact O-N 2.73Å; A15-I18 PolarHBondContact O-N 2.77Å; A15-E19 PolarHBondContact O-N 3.31Å; A15-E19 VanDerWaalsContact O-N 3.16Å
16E90.6Very high84.8Confident112 Ų11263.2 Ų63.252%0.52335%0.351SS..Hα-helixtrans-60.4-39.4172.9-71.3177-172.500111.1T12 E13 I18 E19 V20T12-E16 HydrophobicContact CG2-CG 4.44Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.38Å; T12-E16 WeakPolarHBondContact O-CG 3.2Å; T12-E16 PolarHBondContact O-N 3.34Å; E13-E16 PolarHBondContact O-N 3.06Å; E16-I18 PolarHBondContact O-N 2.85Å; E16-E19 PolarHBondContact O-N 3.13Å; E16-V20 WeakPolarHBondContact O-CB 3.43Å; E16-V20 VanDerWaalsContact O-CG2 3.29Å; E16-V20 WeakPolarHBondContact O-CG2 3.47Å; E16-V20 PolarHBondContact O-N 2.9Å
17E93.2Very high86.3Confident15 Ų1569.4 Ų69.47%0.0737%0.368CS..Hα-helixtrans-56.8-48.4173.9-164.3-172.9-152.300111.4E13 A15 E19 V20 L21 Q62 Y66 T104 V105 V106E13-E17 PolarHBondContact O-N 2.9Å; A15-E17 VanDerWaalsContact C-N 3.29Å; A15-E17 PolarHBondContact O-N 2.73Å; E17-E19 PolarHBondContact O-N 3.11Å; E17-V20 PolarHBondContact O-N 2.91Å; E17-L21 HydrophobicContact CG-CD1 3.81Å; E17-L21 HydrophobicContact CG-CG 4.13Å; E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 WeakPolarHBondContact O-CD1 3.26Å; E17-L21 WeakPolarHBondContact O-CG 3.17Å; E17-L21 PolarHBondContact O-N 3.1Å; E17-Q62 PolarHBondContact OE2-NE2 3.08Å; E17-Y66 PolarHBondContact OE1-OH 3.11Å; E17-Y66 WeakPolarHBondContact OE2-CE1 3.24Å; E17-Y66 VanDerWaalsContact OE2-CZ 3.29Å; E17-Y66 PolarHBondContact OE2-OH 3.09Å; E17-T104 HydrophobicContact CB-CG2 3.63Å; E17-T104 HydrophobicContact CG-CG2 3.8Å; E17-T104 VanDerWaalsContact OE1-CB 3.22Å; E17-T104 WeakPolarHBondContact OE1-CB 3.37Å; E17-V105 PolarHBondContact OE1-N 2.85Å; E17-V106 VanDerWaalsContact OE1-CB 3.29Å; E17-V106 WeakPolarHBondContact OE1-CB 3.4Å; E17-V106 VanDerWaalsContact OE1-CG2 3.28Å; E17-V106 WeakPolarHBondContact OE1-CG2 3.38Å; E17-V106 PolarHBondContact OE1-N 2.96Å
18I92.8Very high87.8Confident31 Ų3166.5 Ų66.516%0.15935%0.354CS..Hα-helixtrans-60.8-44.7-179.7-69.9172.9000111.3A14 A15 E16 L21 S22 F29 Y39A14-I18 PolarHBondContact O-N 3.25Å; A15-I18 PolarHBondContact O-N 2.77Å; E16-I18 PolarHBondContact O-N 2.85Å; I18-L21 PolarHBondContact O-N 3.07Å; I18-S22 WeakPolarHBondContact O-CB 3.47Å; I18-S22 PolarHBondContact O-N 3.07Å; I18-S22 PolarHBondContact O-OG 3.22Å; I18-F29 HydrophobicContact CG2-CZ 4.13Å; I18-Y39 HydrophobicContact CD1-CD1 4.11Å; I18-Y39 HydrophobicContact CD1-CE1 3.8Å; I18-Y39 HydrophobicContact CG1-CD1 4.23Å; I18-Y39 HydrophobicContact CG1-CE1 3.77Å
19E91.8Very high89.2Confident138 Ų13862.5 Ų62.565%0.64533%0.332SS*.Hα-helixtrans-59.7-49.3177.8-174175.618000111A15 E16 E17 L21 S22 A23A15-E19 PolarHBondContact O-N 3.31Å; A15-E19 VanDerWaalsContact O-N 3.16Å; E16-E19 PolarHBondContact O-N 3.13Å; E17-E19 PolarHBondContact O-N 3.11Å; E19-L21 PolarHBondContact O-N 2.98Å; E19-S22 PolarHBondContact O-N 2.94Å; E19-S22 PolarHBondContact O-OG 3.17Å; E19-A23 PolarHBondContact O-N 3.47Å; E19-A23 VanDerWaalsContact O-N 3.14Å
20V90.6Very high90.3Very high83 Ų8359.8 Ų59.850%0.50332%0.324SS..Hα-helixtrans-60.2-46.3176.9171.10000111.6E16 E17 S22 A23 I24E16-V20 WeakPolarHBondContact O-CB 3.43Å; E16-V20 VanDerWaalsContact O-CG2 3.29Å; E16-V20 WeakPolarHBondContact O-CG2 3.47Å; E16-V20 PolarHBondContact O-N 2.9Å; E17-V20 PolarHBondContact O-N 2.91Å; V20-S22 VanDerWaalsContact C-N 3.35Å; V20-S22 PolarHBondContact O-N 2.95Å; V20-A23 PolarHBondContact O-N 3.36Å; V20-I24 HydrophobicContact CG1-CD1 3.54Å; V20-I24 HydrophobicContact CG1-CG1 4.28Å; V20-I24 VanDerWaalsContact O-CG1 3.29Å; V20-I24 WeakPolarHBondContact O-CG1 3.36Å; V20-I24 PolarHBondContact O-N 3.24Å
21L93.9Very high91.1Very high2 Ų264 Ų641%0.0135%0.345CS..Hα-helixtrans-62.1-42.5179.3-68167.8000111.6E17 I18 E19 A23 I24 Y25 F29 Y39 I41 V106E17-L21 HydrophobicContact CG-CD1 3.81Å; E17-L21 HydrophobicContact CG-CG 4.13Å; E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 WeakPolarHBondContact O-CD1 3.26Å; E17-L21 WeakPolarHBondContact O-CG 3.17Å; E17-L21 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 3.07Å; E19-L21 PolarHBondContact O-N 2.98Å; L21-A23 PolarHBondContact O-N 3.02Å; L21-I24 PolarHBondContact O-N 3.01Å; L21-Y25 HydrophobicContact CB-CD2 4.26Å; L21-Y25 HydrophobicContact CD2-CD2 4.06Å; L21-Y25 HydrophobicContact CD2-CE2 3.54Å; L21-Y25 WeakPolarHBondContact O-CB 2.98Å; L21-Y25 VanDerWaalsContact O-CD2 3.29Å; L21-Y25 WeakPolarHBondContact O-CD2 3.43Å; L21-Y25 PolarHBondContact O-N 2.86Å; L21-F29 HydrophobicContact CB-CD2 4.03Å; L21-F29 HydrophobicContact CB-CE2 3.68Å; L21-F29 HydrophobicContact CB-CZ 4.45Å; L21-F29 HydrophobicContact CD1-CE2 4.27Å; L21-Y39 HydrophobicContact CD1-CE2 4.04Å; L21-I41 HydrophobicContact CD2-CD1 4.43Å; L21-V106 HydrophobicContact CD1-CB 3.7Å; L21-V106 HydrophobicContact CD1-CG1 3.47Å; L21-V106 VanDerWaalsContact CD1-CG1 3.47Å; L21-V106 HydrophobicContact CD1-CG2 4.19Å; L21-V106 HydrophobicContact CD2-CB 4.08Å; L21-V106 HydrophobicContact CD2-CG1 3.77Å; L21-V106 HydrophobicContact CG-CG1 4.28Å
22S92.2Very high91.9Very high49 Ų4964.7 Ų64.734%0.34334%0.343SS..Hα-helixtrans-61.4-34.9177.373.80000112.5I18 E19 V20 E26I18-S22 WeakPolarHBondContact O-CB 3.47Å; I18-S22 PolarHBondContact O-N 3.07Å; I18-S22 PolarHBondContact O-OG 3.22Å; E19-S22 PolarHBondContact O-N 2.94Å; E19-S22 PolarHBondContact O-OG 3.17Å; V20-S22 VanDerWaalsContact C-N 3.35Å; V20-S22 PolarHBondContact O-N 2.95Å; S22-E26 PolarHBondContact O-N 2.79Å; S22-E26 VanDerWaalsContact O-N 3.16Å
23A92.3Very high92.3Very high67 Ų6765.3 Ų65.355%0.55434%0.342SS*.Hα-helixtrans-76.4-33.5176.400000112.6E19 V20 L21 E26E19-A23 PolarHBondContact O-N 3.47Å; E19-A23 VanDerWaalsContact O-N 3.14Å; V20-A23 PolarHBondContact O-N 3.36Å; L21-A23 PolarHBondContact O-N 3.02Å; A23-E26 WeakPolarHBondContact O-CG 3.46Å
24I89.1Confident92.5Very high82 Ų8267.6 Ų67.642%0.42136%0.36SS..Hα-helixtrans-75.5-43.4-179.4-71.3170.8000111.9V20 L21 Y107V20-I24 HydrophobicContact CG1-CD1 3.54Å; V20-I24 HydrophobicContact CG1-CG1 4.28Å; V20-I24 VanDerWaalsContact O-CG1 3.29Å; V20-I24 WeakPolarHBondContact O-CG1 3.36Å; V20-I24 PolarHBondContact O-N 3.24Å; L21-I24 PolarHBondContact O-N 3.01Å; I24-Y107 HydrophobicContact CD1-CD2 4.05Å; I24-Y107 HydrophobicContact CD1-CE2 4.24Å; I24-Y107 HydrophobicContact CG2-CE2 4.3Å
25Y91.2Very high92.6Very high6 Ų675.5 Ų75.52%0.02440%0.396CS..Hα-helixtrans-99.4-14.4-169.1-66.5-66.1000113.2L21 E27 E28 I41 Y107 V110 E111L21-Y25 HydrophobicContact CB-CD2 4.26Å; L21-Y25 HydrophobicContact CD2-CD2 4.06Å; L21-Y25 HydrophobicContact CD2-CE2 3.54Å; L21-Y25 WeakPolarHBondContact O-CB 2.98Å; L21-Y25 VanDerWaalsContact O-CD2 3.29Å; L21-Y25 WeakPolarHBondContact O-CD2 3.43Å; L21-Y25 PolarHBondContact O-N 2.86Å; Y25-E27 PolarHBondContact O-N 3.14Å; Y25-E28 WeakPolarHBondContact O-CA 3.41Å; Y25-E28 WeakPolarHBondContact O-CB 3.46Å; Y25-E28 PolarHBondContact O-N 2.9Å; Y25-I41 HydrophobicContact CD1-CG2 4.22Å; Y25-I41 HydrophobicContact CD2-CD1 3.81Å; Y25-I41 HydrophobicContact CD2-CG2 4.48Å; Y25-I41 HydrophobicContact CE2-CD1 3.98Å; Y25-I41 HydrophobicContact CG-CD1 4.49Å; Y25-I41 HydrophobicContact CG-CG2 4.16Å; Y25-Y107 HydrophobicContact CE2-CD2 4.35Å; Y25-Y107 WeakPolarHBondContact OH-CD2 3.39Å; Y25-V110 HydrophobicContact CD1-CG1 4.33Å; Y25-V110 HydrophobicContact CE1-CB 4.24Å; Y25-V110 HydrophobicContact CE1-CG1 3.38Å; Y25-V110 HydrophobicContact CE2-CG1 4.47Å; Y25-V110 HydrophobicContact CE2-CG2 4.36Å; Y25-V110 VanDerWaalsContact CZ-CG1 3.49Å; Y25-V110 WeakPolarHBondContact OH-CB 3.23Å; Y25-V110 WeakPolarHBondContact OH-CG1 3.27Å; Y25-E111 PolarHBondContact OH-OE1 3.31Å
26E92.2Very high92.7Very high145 Ų14577.1 Ų77.168%0.67840%0.398SS*.G310 helixtrans42.4-109173.6-58.7-176.6-177.300112.4S22 A23 E28 F29S22-E26 PolarHBondContact O-N 2.79Å; S22-E26 VanDerWaalsContact O-N 3.16Å; A23-E26 WeakPolarHBondContact O-CG 3.46Å; E26-E28 PolarHBondContact O-N 2.92Å; E26-F29 PolarHBondContact O-N 2.81Å; E26-F29 VanDerWaalsContact O-N 3.13Å
27E92.1Very high92.8Very high174 Ų17475.1 Ų75.181%0.81339%0.387SS*.G310 helixtrans-65.3-15.5-178.7-57.1-175170.800114.7Y25 F30Y25-E27 PolarHBondContact O-N 3.14Å; E27-F30 WeakPolarHBondContact O-CE2 3.35Å; E27-F30 WeakPolarHBondContact O-CZ 3.45Å
28E92.6Very high92.9Very high38 Ų3874.6 Ų74.618%0.17839%0.385CS..G310 helixtrans-87.5-10176.1-64.2-173.3130.500112.9Y25 E26 I41 R42 R114Y25-E28 WeakPolarHBondContact O-CA 3.41Å; Y25-E28 WeakPolarHBondContact O-CB 3.46Å; Y25-E28 PolarHBondContact O-N 2.9Å; E26-E28 PolarHBondContact O-N 2.92Å; E28-I41 CarbonylContact O-C 3.05Å; E28-I41 VanDerWaalsContact O-CA 3.31Å; E28-I41 WeakPolarHBondContact O-CA 3.42Å; E28-R42 WeakPolarHBondContact CB-O 3.49Å; E28-R42 WeakPolarHBondContact CG-O 3.3Å; E28-R42 PolarHBondContact O-N 3.12Å; E28-R114 IonicContact OE2-CZ 3.69Å; E28-R114 IonicContact OE2-NH2 2.85Å; E28-R114 PolarHBondContact OE2-NH2 2.9Å
29F96Very high93.2Very high20 Ų2073.2 Ų73.29%0.08838%0.378CS..EExtended strand (participates in β ladder)trans-108.4130-173.6-173.5-87.3000113.1I18 L21 E26 I31 Y39 I41I18-F29 HydrophobicContact CG2-CZ 4.13Å; L21-F29 HydrophobicContact CB-CD2 4.03Å; L21-F29 HydrophobicContact CB-CE2 3.68Å; L21-F29 HydrophobicContact CB-CZ 4.45Å; L21-F29 HydrophobicContact CD1-CE2 4.27Å; E26-F29 PolarHBondContact O-N 2.81Å; E26-F29 VanDerWaalsContact O-N 3.13Å; F29-I31 HydrophobicContact CD1-CG1 4.41Å; F29-I31 HydrophobicContact CE1-CD1 4.3Å; F29-I31 HydrophobicContact CE1-CG1 3.62Å; F29-I31 HydrophobicContact CZ-CG1 4.43Å; F29-Y39 AromaticContact CE2-CD2 3.5Å; F29-Y39 HydrophobicContact CE2-CD2 3.5Å; F29-Y39 HydrophobicContact CE2-CE2 4.1Å; F29-Y39 HydrophobicContact CE2-CG 4.07Å; F29-Y39 AromaticContact CZ-CD2 3.72Å; F29-Y39 HydrophobicContact CZ-CD2 3.72Å; F29-Y39 HydrophobicContact CZ-CE2 4.47Å; F29-Y39 AromaticContact CZ-CG 3.79Å; F29-Y39 HydrophobicContact CZ-CG 3.79Å; F29-I41 HydrophobicContact CD2-CD1 3.92Å; F29-I41 HydrophobicContact CD2-CG1 3.66Å; F29-I41 HydrophobicContact CE2-CD1 4.23Å; F29-I41 HydrophobicContact CE2-CG1 4.18Å
30F96.6Very high93.4Very high72 Ų7267.8 Ų67.832%0.31635%0.353SS..EExtended strand (participates in β ladder)trans-134.9125.4-178.3-54.3-94.8000111.5E27 L32 Y39 E40 R42E27-F30 WeakPolarHBondContact O-CE2 3.35Å; E27-F30 WeakPolarHBondContact O-CZ 3.45Å; F30-L32 HydrophobicContact CB-CD2 4.48Å; F30-Y39 CarbonylContact O-C 3.56Å; F30-Y39 WeakPolarHBondContact O-CA 3.49Å; F30-Y39 VanDerWaalsContact O-CB 3.31Å; F30-Y39 WeakPolarHBondContact O-CB 3.5Å; F30-E40 HydrophobicContact CB-CG 3.71Å; F30-E40 HydrophobicContact CD2-CG 4.13Å; F30-E40 HydrophobicContact CG-CG 4.31Å; F30-E40 PolarHBondContact N-O 2.97Å; F30-E40 PolarHBondContact O-N 3.21Å; F30-R42 HydrophobicContact CD2-CG 4.17Å; F30-R42 HydrophobicContact CE2-CG 3.9Å
31I95.7Very high93.7Very high95 Ų9563.9 Ų63.949%0.48733%0.329SS..EExtended strand (participates in β ladder)trans-83.4122.5170.6-55.5177.3000108.3F29 P34F29-I31 HydrophobicContact CD1-CG1 4.41Å; F29-I31 HydrophobicContact CE1-CD1 4.3Å; F29-I31 HydrophobicContact CE1-CG1 3.62Å; F29-I31 HydrophobicContact CZ-CG1 4.43Å; I31-P34 HydrophobicContact CG2-CB 4.07Å; I31-P34 HydrophobicContact CG2-CG 3.67Å
32L95.5Very high93.7Very high76 Ų7668 Ų6840%0.39834%0.344SS..EExtended strand (participates in β ladder)trans-97.4-48.8-177.1-58.7-178.7000111.5F30 V38 E40 K59F30-L32 HydrophobicContact CB-CD2 4.48Å; L32-V38 HydrophobicContact CB-CG1 4.21Å; L32-V38 HydrophobicContact CD1-CG1 4.3Å; L32-V38 PolarHBondContact N-O 2.75Å; L32-E40 HydrophobicContact CD1-CB 4.11Å; L32-E40 HydrophobicContact CD1-CG 4.05Å; L32-E40 HydrophobicContact CD2-CG 4.01Å; L32-E40 HydrophobicContact CG-CG 4.1Å; L32-K59 HydrophobicContact CD1-CD 4.13Å; L32-K59 HydrophobicContact CD1-CG 4.13Å
33E95.1Very high93.7Very high80 Ų8065.7 Ų65.737%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-135.490.5179.3-54.4171.8-15000108.6E35 N36 K37 V38E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.39Å; E33-N36 HydrophobicContact CB-CB 4.06Å; E33-N36 CarbonylContact O-C 3.56Å; E33-N36 PolarHBondContact O-N 3.44Å; E33-N36 VanDerWaalsContact O-N 3.16Å; E33-N36 PolarHBondContact OE2-ND2 3.1Å; E33-K37 PolarHBondContact O-N 3.15Å; E33-V38 HydrophobicContact CB-CB 3.89Å; E33-V38 HydrophobicContact CB-CG2 4.1Å; E33-V38 HydrophobicContact CG-CB 4.3Å; E33-V38 PolarHBondContact N-O 2.95Å; E33-V38 PolarHBondContact O-N 3.36Å
34P91.4Very high93.4Very high82 Ų8266.9 Ų66.953%0.53232%0.322SS..G310 helixtrans-56.8-43.3-176.6-21.529.1000112.7I31 N36 K37I31-P34 HydrophobicContact CG2-CB 4.07Å; I31-P34 HydrophobicContact CG2-CG 3.67Å; P34-N36 VanDerWaalsContact C-N 3.26Å; P34-N36 PolarHBondContact O-N 3.02Å; P34-K37 PolarHBondContact O-N 3.43Å; P34-K37 VanDerWaalsContact O-N 3.15Å
35E90.3Very high92.5Very high167 Ų16765.3 Ų65.378%0.7832%0.319SS*.G310 helixtrans-59.8-35.2179.66.1-77-177.400112.8E33E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.39Å
36N91.1Very high91.3Very high86 Ų8673.1 Ų73.146%0.4635%0.352SS..G310 helixtrans-99.26.4-178.1-67.2-33.7000112.8E33 P34 V38E33-N36 HydrophobicContact CB-CB 4.06Å; E33-N36 CarbonylContact O-C 3.56Å; E33-N36 PolarHBondContact O-N 3.44Å; E33-N36 VanDerWaalsContact O-N 3.16Å; E33-N36 PolarHBondContact OE2-ND2 3.1Å; P34-N36 VanDerWaalsContact C-N 3.26Å; P34-N36 PolarHBondContact O-N 3.02Å; N36-V38 HydrophobicContact CB-CG2 3.85Å; N36-V38 PolarHBondContact O-N 3.17Å
37K92.6Very high89.5Confident69 Ų6972.1 Ų72.130%0.335%0.349SS..THydrogen-bonded Turntrans50.545.1-175.7-54.7-174.9177.4-168.60112.4E33 P34 Q62E33-K37 PolarHBondContact O-N 3.15Å; P34-K37 PolarHBondContact O-N 3.43Å; P34-K37 VanDerWaalsContact O-N 3.15Å; K37-Q62 HydrophobicContact CB-CB 3.91Å; K37-Q62 HydrophobicContact CD-CB 4.06Å; K37-Q62 PolarHBondContact O-N 3.07Å
38V96.7Very high87.4Confident5 Ų567.3 Ų67.33%0.0335%0.347CS..EExtended strand (participates in β ladder)trans-102.9126.7176.5-174.40000109.6L32 E33 N36 K59 F60 Q61L32-V38 HydrophobicContact CB-CG1 4.21Å; L32-V38 HydrophobicContact CD1-CG1 4.3Å; L32-V38 PolarHBondContact N-O 2.75Å; E33-V38 HydrophobicContact CB-CB 3.89Å; E33-V38 HydrophobicContact CB-CG2 4.1Å; E33-V38 HydrophobicContact CG-CB 4.3Å; E33-V38 PolarHBondContact N-O 2.95Å; E33-V38 PolarHBondContact O-N 3.36Å; N36-V38 HydrophobicContact CB-CG2 3.85Å; N36-V38 PolarHBondContact O-N 3.17Å; V38-K59 HydrophobicContact CG1-CD 4.35Å; V38-K59 VanDerWaalsContact CG1-CE 3.42Å; V38-K59 HydrophobicContact CG1-CG 4.06Å; V38-F60 VanDerWaalsContact CA-O 3.29Å; V38-F60 WeakPolarHBondContact CA-O 3.45Å; V38-F60 WeakPolarHBondContact CG1-O 3.49Å; V38-Q61 HydrophobicContact CG2-CB 4.2Å; V38-Q61 HydrophobicContact CG2-CG 4.04Å
39Y97.7Very high85.1Confident2 Ų272.3 Ų72.31%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-146.7159.9179.651.4-87000109.7I18 L21 F29 F30 K59 F60 Q62 V106I18-Y39 HydrophobicContact CD1-CD1 4.11Å; I18-Y39 HydrophobicContact CD1-CE1 3.8Å; I18-Y39 HydrophobicContact CG1-CD1 4.23Å; I18-Y39 HydrophobicContact CG1-CE1 3.77Å; L21-Y39 HydrophobicContact CD1-CE2 4.04Å; F29-Y39 AromaticContact CE2-CD2 3.5Å; F29-Y39 HydrophobicContact CE2-CD2 3.5Å; F29-Y39 HydrophobicContact CE2-CE2 4.1Å; F29-Y39 HydrophobicContact CE2-CG 4.07Å; F29-Y39 AromaticContact CZ-CD2 3.72Å; F29-Y39 HydrophobicContact CZ-CD2 3.72Å; F29-Y39 HydrophobicContact CZ-CE2 4.47Å; F29-Y39 AromaticContact CZ-CG 3.79Å; F29-Y39 HydrophobicContact CZ-CG 3.79Å; F30-Y39 CarbonylContact O-C 3.56Å; F30-Y39 WeakPolarHBondContact O-CA 3.49Å; F30-Y39 VanDerWaalsContact O-CB 3.31Å; F30-Y39 WeakPolarHBondContact O-CB 3.5Å; Y39-K59 CarbonylContact O-C 3.55Å; Y39-F60 HydrophobicContact CD2-CB 4Å; Y39-F60 AromaticContact CD2-CD2 3.88Å; Y39-F60 HydrophobicContact CD2-CD2 3.88Å; Y39-F60 HydrophobicContact CD2-CG 4.33Å; Y39-F60 HydrophobicContact CE1-CB 4.23Å; Y39-F60 HydrophobicContact CE2-CB 3.52Å; Y39-F60 AromaticContact CE2-CD2 3.6Å; Y39-F60 HydrophobicContact CE2-CD2 3.6Å; Y39-F60 AromaticContact CE2-CG 3.76Å; Y39-F60 HydrophobicContact CE2-CG 3.76Å; Y39-F60 PolarHBondContact N-O 2.77Å; Y39-F60 PolarHBondContact O-N 2.79Å; Y39-Q62 HydrophobicContact CE1-CG 3.99Å; Y39-Q62 PolarHBondContact OH-NE2 3.35Å; Y39-V106 HydrophobicContact CE2-CG1 4.19Å; Y39-V106 HydrophobicContact CE2-CG2 4.4Å; Y39-V106 VanDerWaalsContact OH-CG2 3.31Å; Y39-V106 WeakPolarHBondContact OH-CG2 3.39Å
40E97.1Very high82.6Confident24 Ų2478.7 Ų78.711%0.11242%0.415CS..EExtended strand (participates in β ladder)trans-126.2150.9176.164.5174-147.900111.5F30 L32 R42 I57 L58 K59F30-E40 HydrophobicContact CB-CG 3.71Å; F30-E40 HydrophobicContact CD2-CG 4.13Å; F30-E40 HydrophobicContact CG-CG 4.31Å; F30-E40 PolarHBondContact N-O 2.97Å; F30-E40 PolarHBondContact O-N 3.21Å; L32-E40 HydrophobicContact CD1-CB 4.11Å; L32-E40 HydrophobicContact CD1-CG 4.05Å; L32-E40 HydrophobicContact CD2-CG 4.01Å; L32-E40 HydrophobicContact CG-CG 4.1Å; E40-R42 IonicContact OE1-CZ 3.62Å; E40-R42 VanDerWaalsContact OE1-CZ 3.24Å; E40-R42 IonicContact OE1-NE 2.68Å; E40-R42 PolarHBondContact OE1-NE 3.04Å; E40-R42 IonicContact OE1-NH2 3.57Å; E40-R42 PolarHBondContact OE1-NH2 3.09Å; E40-I57 HydrophobicContact CB-CG2 4.26Å; E40-L58 CarbonylContact C-O 3.47Å; E40-L58 WeakPolarHBondContact CA-O 3.37Å; E40-K59 HydrophobicContact CB-CB 4.39Å
41I96.5Very high80.4Confident0 Ų079.5 Ų79.50%044%0.435CS..EExtended strand (participates in β ladder)trans-123.7126.4172.4-57.3178.9000107.9L21 Y25 E28 F29 I43 L58 F60 V106 V110L21-I41 HydrophobicContact CD2-CD1 4.43Å; Y25-I41 HydrophobicContact CD1-CG2 4.22Å; Y25-I41 HydrophobicContact CD2-CD1 3.81Å; Y25-I41 HydrophobicContact CD2-CG2 4.48Å; Y25-I41 HydrophobicContact CE2-CD1 3.98Å; Y25-I41 HydrophobicContact CG-CD1 4.49Å; Y25-I41 HydrophobicContact CG-CG2 4.16Å; E28-I41 CarbonylContact O-C 3.05Å; E28-I41 VanDerWaalsContact O-CA 3.31Å; E28-I41 WeakPolarHBondContact O-CA 3.42Å; F29-I41 HydrophobicContact CD2-CD1 3.92Å; F29-I41 HydrophobicContact CD2-CG1 3.66Å; F29-I41 HydrophobicContact CE2-CD1 4.23Å; F29-I41 HydrophobicContact CE2-CG1 4.18Å; I41-I43 HydrophobicContact CG2-CG1 4.02Å; I41-L58 PolarHBondContact N-O 2.74Å; I41-L58 PolarHBondContact O-N 2.93Å; I41-F60 HydrophobicContact CB-CE2 4.3Å; I41-F60 HydrophobicContact CD1-CE2 3.95Å; I41-F60 HydrophobicContact CG1-CE2 4.05Å; I41-V106 HydrophobicContact CD1-CG1 3.81Å; I41-V110 HydrophobicContact CB-CG2 4.24Å; I41-V110 HydrophobicContact CD1-CG2 3.63Å; I41-V110 HydrophobicContact CG2-CG1 4.35Å; I41-V110 HydrophobicContact CG2-CG2 3.99Å
42R95Very high78.3Confident90 Ų9080.7 Ų80.734%0.3444%0.442SS..EExtended strand (participates in β ladder)trans-101.5109.8-179.9-59.2-173.4-175.5171.61.8109.7E28 F30 E40 I57E28-R42 WeakPolarHBondContact CB-O 3.49Å; E28-R42 WeakPolarHBondContact CG-O 3.3Å; E28-R42 PolarHBondContact O-N 3.12Å; F30-R42 HydrophobicContact CD2-CG 4.17Å; F30-R42 HydrophobicContact CE2-CG 3.9Å; E40-R42 IonicContact OE1-CZ 3.62Å; E40-R42 VanDerWaalsContact OE1-CZ 3.24Å; E40-R42 IonicContact OE1-NE 2.68Å; E40-R42 PolarHBondContact OE1-NE 3.04Å; E40-R42 IonicContact OE1-NH2 3.57Å; E40-R42 PolarHBondContact OE1-NH2 3.09Å; R42-I57 HydrophobicContact CG-CG1 4.24Å; R42-I57 HydrophobicContact CG-CG2 4.4Å
43I91.8Very high76.7Confident0 Ų086.1 Ų86.10%046%0.463CS..EExtended strand (participates in β ladder)trans-102.6119.6-168.5-52.1166.5000109I41 Q55 I56 L58 V110 I113 R114 M117I41-I43 HydrophobicContact CG2-CG1 4.02Å; I43-Q55 WeakPolarHBondContact O-CA 3.38Å; I43-I56 WeakPolarHBondContact CB-O 3.47Å; I43-I56 PolarHBondContact N-O 2.7Å; I43-I56 PolarHBondContact O-N 2.69Å; I43-L58 HydrophobicContact CD1-CD1 4.43Å; I43-L58 HydrophobicContact CD1-CG 4.43Å; I43-V110 HydrophobicContact CD1-CB 4.16Å; I43-V110 HydrophobicContact CD1-CG1 3.8Å; I43-V110 HydrophobicContact CD1-CG2 4.15Å; I43-V110 HydrophobicContact CG1-CG1 3.91Å; I43-I113 HydrophobicContact CB-CG2 4.18Å; I43-I113 HydrophobicContact CD1-CB 3.78Å; I43-I113 HydrophobicContact CD1-CD1 3.48Å; I43-I113 VanDerWaalsContact CD1-CD1 3.48Å; I43-I113 HydrophobicContact CD1-CG1 4.19Å; I43-I113 HydrophobicContact CD1-CG2 3.78Å; I43-I113 HydrophobicContact CG2-CG2 3.85Å; I43-R114 HydrophobicContact CG2-CG 3.56Å; I43-M117 HydrophobicContact CG2-SD 3.96Å
44Q84.5Confident75.7Confident92 Ų9285.7 Ų85.743%0.4346%0.461SS..EExtended strand (participates in β ladder)trans-104.2150.6179.6-46.3-167.924.200111.8K46 Q55Q44-K46 PolarHBondContact O-N 3.01Å; Q44-Q55 HydrophobicContact CG-CG 3.96Å
45S71.6Confident75.5Confident49 Ų4984.2 Ų84.234%0.34345%0.447SS..  trans-67.8129.6168.5-173.70000109.7M47S45-M47 PolarHBondContact O-N 3.38Å; S45-M47 PolarHBondContact OG-N 2.9Å
46K64.8Low75.6Confident169 Ų16976.3 Ų76.374%0.73541%0.41SS*.  trans-78.4-1.8173.8-68.6-173177179.90113.2Q44 G48Q44-K46 PolarHBondContact O-N 3.01Å; K46-G48 PolarHBondContact O-N 2.93Å
47M56Low75.8Confident125 Ų12574 Ų7462%0.61640%0.397SS*.SBendtrans-73.3119.3173.7-96.3-171.316900109.6S45 D49 P122S45-M47 PolarHBondContact O-N 3.38Å; S45-M47 PolarHBondContact OG-N 2.9Å; M47-D49 PolarHBondContact O-N 2.8Å; M47-P122 HydrophobicContact CE-CG 4.24Å; M47-P122 HydrophobicContact SD-CB 4.38Å; M47-P122 HydrophobicContact SD-CG 3.82Å
48G46.2Very low76Confident73 Ų7370.7 Ų70.775%0.75338%0.383SS*.  trans-74.540.3-163.400000117K46K46-G48 PolarHBondContact O-N 2.93Å
49D45.3Very low76Confident142 Ų14273.5 Ų73.576%0.75940%0.395SS*.  trans-92.7103.1170.5-84.1-25.3000110.7M47 A51M47-D49 PolarHBondContact O-N 2.8Å; D49-A51 PolarHBondContact O-N 3.48Å
50T44.1Very low75.9Confident155 Ų15573.5 Ų73.595%0.95139%0.394SS*.THydrogen-bonded Turntrans-66.826.4-178.2380000115.1
51A48.7Very low75.9Confident88 Ų8875.7 Ų75.773%0.72741%0.405SS*.THydrogen-bonded Turntrans-120.9-28.7-174.700000115.5D49D49-A51 PolarHBondContact O-N 3.48Å
52N52.5Low75.8Confident120 Ų12076.1 Ų76.164%0.64241%0.407SS*.  trans-121.8106.7179.3-92.48.8000111.4E54N52-E54 HydrophobicContact CB-CG 4.2Å; N52-E54 PolarHBondContact ND2-OE1 3.14Å; N52-E54 PolarHBondContact O-N 2.95Å
53K61.5Low75.7Confident191 Ų19173 Ų7383%0.8340%0.398SS*.  trans-7353.8172-64.3-177.8179-178.40111.2Q55K53-Q55 VanDerWaalsContact C-N 3.35Å; K53-Q55 PolarHBondContact O-N 3.25Å
54E75.3Confident75.6Confident70 Ų7078.6 Ų78.633%0.32743%0.434SS..  trans-76.391.5176.8-77.1173.6-159.300108.6N52 W80 M117N52-E54 HydrophobicContact CB-CG 4.2Å; N52-E54 PolarHBondContact ND2-OE1 3.14Å; N52-E54 PolarHBondContact O-N 2.95Å; E54-W80 HydrophobicContact CB-CD2 3.88Å; E54-W80 HydrophobicContact CB-CE3 4.08Å; E54-W80 HydrophobicContact CB-CG 4.48Å; E54-W80 HydrophobicContact CB-CH2 3.98Å; E54-W80 HydrophobicContact CB-CZ2 3.75Å; E54-W80 HydrophobicContact CB-CZ3 4.12Å; E54-W80 HydrophobicContact CG-CD2 3.79Å; E54-W80 HydrophobicContact CG-CE3 3.92Å; E54-W80 HydrophobicContact CG-CG 4.07Å; E54-W80 HydrophobicContact CG-CZ3 4.36Å; E54-W80 WeakPolarHBondContact OE2-CZ3 3.43Å; E54-M117 WeakPolarHBondContact O-CE 3.38Å
55Q87.1Confident75.8Confident52 Ų5274.9 Ų74.924%0.24342%0.421CS..EExtended strand (participates in β ladder)trans-103.5139.5-179.8-55.6-174.4-2200109.7I43 Q44 K53 W80I43-Q55 WeakPolarHBondContact O-CA 3.38Å; Q44-Q55 HydrophobicContact CG-CG 3.96Å; K53-Q55 VanDerWaalsContact C-N 3.35Å; K53-Q55 PolarHBondContact O-N 3.25Å; Q55-W80 PolarHBondContact O-NE1 3.05Å
56I92.3Very high76.7Confident0 Ų072.9 Ų72.90%041%0.406CS..EExtended strand (participates in β ladder)trans-102.5126.2169.3-60.1-174.3000107.6I43 L76 A78 W80 L81 L89 I113 M117I43-I56 WeakPolarHBondContact CB-O 3.47Å; I43-I56 PolarHBondContact N-O 2.7Å; I43-I56 PolarHBondContact O-N 2.69Å; I56-L76 HydrophobicContact CG2-CD1 3.31Å; I56-A78 HydrophobicContact CB-CB 4.49Å; I56-A78 HydrophobicContact CG1-CB 4.01Å; I56-A78 HydrophobicContact CG2-CB 4.25Å; I56-W80 HydrophobicContact CD1-CH2 4.2Å; I56-W80 HydrophobicContact CD1-CZ2 4.03Å; I56-W80 HydrophobicContact CG1-CH2 4.14Å; I56-W80 HydrophobicContact CG1-CZ2 3.47Å; I56-W80 VanDerWaalsContact CG1-CZ2 3.47Å; I56-L81 HydrophobicContact CD1-CD1 3.55Å; I56-L81 HydrophobicContact CG1-CD1 4.15Å; I56-L89 HydrophobicContact CD1-CD2 3.91Å; I56-I113 HydrophobicContact CB-CG2 3.95Å; I56-I113 HydrophobicContact CD1-CG2 3.76Å; I56-I113 HydrophobicContact CG1-CG2 4.32Å; I56-I113 HydrophobicContact CG2-CD1 3.87Å; I56-I113 HydrophobicContact CG2-CG2 3.98Å; I56-M117 HydrophobicContact CB-SD 4.47Å; I56-M117 HydrophobicContact CD1-CE 4.42Å; I56-M117 HydrophobicContact CD1-CG 3.78Å; I56-M117 HydrophobicContact CD1-SD 3.9Å; I56-M117 HydrophobicContact CG1-CE 4.25Å; I56-M117 HydrophobicContact CG1-SD 4.06Å
57I94.7Very high77.8Confident37 Ų3764.9 Ų64.919%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-105.6125.5179.3-52.2174.9000108.3E40 R42 H77E40-I57 HydrophobicContact CB-CG2 4.26Å; R42-I57 HydrophobicContact CG-CG1 4.24Å; R42-I57 HydrophobicContact CG-CG2 4.4Å; I57-H77 HydrophobicContact CB-CB 4.22Å; I57-H77 PolarHBondContact N-O 2.52Å; I57-H77 PolarHBondContact O-N 2.73Å
58L95.8Very high79.1Confident0 Ų061 Ų610%036%0.356CS..EExtended strand (participates in β ladder)trans-107.2121.4165.9-78.1-172.7000109.5E40 I41 I43 F60 Y74 E75 L76 L93 L109 I113E40-L58 CarbonylContact C-O 3.47Å; E40-L58 WeakPolarHBondContact CA-O 3.37Å; I41-L58 PolarHBondContact N-O 2.74Å; I41-L58 PolarHBondContact O-N 2.93Å; I43-L58 HydrophobicContact CD1-CD1 4.43Å; I43-L58 HydrophobicContact CD1-CG 4.43Å; L58-F60 HydrophobicContact CB-CD2 4.32Å; L58-F60 HydrophobicContact CB-CE1 4.31Å; L58-F60 HydrophobicContact CB-CE2 3.49Å; L58-F60 VanDerWaalsContact CB-CE2 3.49Å; L58-F60 HydrophobicContact CB-CZ 3.5Å; L58-F60 HydrophobicContact CD1-CE1 3.98Å; L58-F60 HydrophobicContact CD1-CE2 4.21Å; L58-F60 HydrophobicContact CD1-CZ 3.37Å; L58-F60 HydrophobicContact CG-CZ 4.08Å; L58-Y74 HydrophobicContact CD2-CD2 4.01Å; L58-E75 WeakPolarHBondContact CA-O 3.23Å; L58-L76 HydrophobicContact CD2-CB 3.96Å; L58-L76 HydrophobicContact CD2-CD1 3.6Å; L58-L76 HydrophobicContact CD2-CG 4.39Å; L58-L76 HydrophobicContact CG-CD1 4.41Å; L58-L93 HydrophobicContact CD2-CD1 4.24Å; L58-L109 HydrophobicContact CD1-CB 4.13Å; L58-I113 HydrophobicContact CD1-CD1 3.24Å; L58-I113 HydrophobicContact CD1-CG1 4.43Å; L58-I113 HydrophobicContact CD2-CD1 3.9Å; L58-I113 HydrophobicContact CG-CD1 3.34Å
59K97.3Very high80.9Confident65 Ų6562 Ų6228%0.28335%0.348SS..EExtended strand (participates in β ladder)trans-99.2131.8168.2179.4-177.3172.5-163.80108.5L32 V38 Y39 E40 Y74 E75L32-K59 HydrophobicContact CD1-CD 4.13Å; L32-K59 HydrophobicContact CD1-CG 4.13Å; V38-K59 HydrophobicContact CG1-CD 4.35Å; V38-K59 VanDerWaalsContact CG1-CE 3.42Å; V38-K59 HydrophobicContact CG1-CG 4.06Å; Y39-K59 CarbonylContact O-C 3.55Å; E40-K59 HydrophobicContact CB-CB 4.39Å; K59-Y74 CarbonylContact O-C 3.44Å; K59-Y74 WeakPolarHBondContact O-CA 3.36Å; K59-E75 HydrophobicContact CB-CB 4.32Å; K59-E75 PolarHBondContact N-O 2.83Å; K59-E75 IonicContact NZ-OE2 2.7Å; K59-E75 PolarHBondContact O-N 3.44Å
60F97Very high82.9Confident1 Ų158.7 Ų58.70%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-116.3151.6-178.2-59.4-83.9000111V38 Y39 I41 L58 V72 K73 V106 L109 V110V38-F60 VanDerWaalsContact CA-O 3.29Å; V38-F60 WeakPolarHBondContact CA-O 3.45Å; V38-F60 WeakPolarHBondContact CG1-O 3.49Å; Y39-F60 HydrophobicContact CD2-CB 4Å; Y39-F60 AromaticContact CD2-CD2 3.88Å; Y39-F60 HydrophobicContact CD2-CD2 3.88Å; Y39-F60 HydrophobicContact CD2-CG 4.33Å; Y39-F60 HydrophobicContact CE1-CB 4.23Å; Y39-F60 HydrophobicContact CE2-CB 3.52Å; Y39-F60 AromaticContact CE2-CD2 3.6Å; Y39-F60 HydrophobicContact CE2-CD2 3.6Å; Y39-F60 AromaticContact CE2-CG 3.76Å; Y39-F60 HydrophobicContact CE2-CG 3.76Å; Y39-F60 PolarHBondContact N-O 2.77Å; Y39-F60 PolarHBondContact O-N 2.79Å; I41-F60 HydrophobicContact CB-CE2 4.3Å; I41-F60 HydrophobicContact CD1-CE2 3.95Å; I41-F60 HydrophobicContact CG1-CE2 4.05Å; L58-F60 HydrophobicContact CB-CD2 4.32Å; L58-F60 HydrophobicContact CB-CE1 4.31Å; L58-F60 HydrophobicContact CB-CE2 3.49Å; L58-F60 VanDerWaalsContact CB-CE2 3.49Å; L58-F60 HydrophobicContact CB-CZ 3.5Å; L58-F60 HydrophobicContact CD1-CE1 3.98Å; L58-F60 HydrophobicContact CD1-CE2 4.21Å; L58-F60 HydrophobicContact CD1-CZ 3.37Å; L58-F60 HydrophobicContact CG-CZ 4.08Å; F60-V72 HydrophobicContact CB-CG2 4.17Å; F60-V72 HydrophobicContact CD1-CG1 4.45Å; F60-V72 HydrophobicContact CD1-CG2 4.08Å; F60-K73 CarbonylContact C-O 3.58Å; F60-K73 VanDerWaalsContact CA-O 3.31Å; F60-K73 WeakPolarHBondContact CA-O 3.13Å; F60-V106 HydrophobicContact CD1-CG1 4.38Å; F60-V106 HydrophobicContact CD1-CG2 4.16Å; F60-V106 HydrophobicContact CD2-CG1 4.13Å; F60-V106 HydrophobicContact CE1-CG1 4.03Å; F60-V106 HydrophobicContact CE1-CG2 4.32Å; F60-V106 HydrophobicContact CE2-CG1 3.75Å; F60-V106 HydrophobicContact CG-CG1 4.41Å; F60-V106 HydrophobicContact CG-CG2 4.47Å; F60-V106 HydrophobicContact CZ-CG1 3.66Å; F60-L109 HydrophobicContact CE1-CB 4.41Å; F60-L109 HydrophobicContact CE1-CD1 3.69Å; F60-L109 HydrophobicContact CZ-CB 4.49Å; F60-V110 HydrophobicContact CZ-CG2 4.43Å
61Q96.4Very high84.9Confident71 Ų7154 Ų5433%0.33230%0.303SS..EExtended strand (participates in β ladder)trans-135.9116.9167178.2-178.639.300109.1V38 V63 K73V38-Q61 HydrophobicContact CG2-CB 4.2Å; V38-Q61 HydrophobicContact CG2-CG 4.04Å; Q61-V63 HydrophobicContact CG-CG1 4.35Å; Q61-V63 PolarHBondContact O-N 3.38Å; Q61-K73 HydrophobicContact CB-CB 4.18Å; Q61-K73 PolarHBondContact N-O 3.4Å; Q61-K73 PolarHBondContact O-N 3.29Å
62Q93.8Very high87Confident9 Ų950 Ų504%0.04227%0.269CS..  trans-78.3108.1171.5-67.8179.1-12.300109.6A14 E17 K37 Y39 Y66 V72A14-Q62 PolarHBondContact O-NE2 3.44Å; A14-Q62 PolarHBondContact O-OE1 3.43Å; E17-Q62 PolarHBondContact OE2-NE2 3.08Å; K37-Q62 HydrophobicContact CB-CB 3.91Å; K37-Q62 HydrophobicContact CD-CB 4.06Å; K37-Q62 PolarHBondContact O-N 3.07Å; Y39-Q62 HydrophobicContact CE1-CG 3.99Å; Y39-Q62 PolarHBondContact OH-NE2 3.35Å; Q62-Y66 HydrophobicContact CB-CD1 4.14Å; Q62-Y66 HydrophobicContact CG-CD1 3.78Å; Q62-Y66 HydrophobicContact CG-CE1 3.91Å; Q62-V72 HydrophobicContact CG-CG2 4.48Å
63V92.5Very high89Confident24 Ų2450.2 Ų50.215%0.14526%0.264CS..  trans-84.4157.4178.5-65.60000111.6Q61 G65 Y66 N70 P71 K73Q61-V63 HydrophobicContact CG-CG1 4.35Å; Q61-V63 PolarHBondContact O-N 3.38Å; V63-G65 PolarHBondContact O-N 3.32Å; V63-Y66 WeakPolarHBondContact O-CB 3.36Å; V63-Y66 PolarHBondContact O-N 2.7Å; V63-N70 HydrophobicContact CG2-CB 3.71Å; V63-P71 WeakPolarHBondContact CG2-O 2.93Å; V63-K73 HydrophobicContact CG1-CD 3.62Å; V63-K73 HydrophobicContact CG1-CG 3.87Å
64P90.8Very high90.6Very high117 Ų11744 Ų4476%0.7624%0.236SC*.THydrogen-bonded Turntrans-52.5130.2174.6-27.235.4000111.8N70P64-N70 PolarHBondContact O-ND2 3.04Å
65G87.7Confident91.6Very high15 Ų1546.5 Ų46.516%0.15525%0.248CC..THydrogen-bonded Turntrans90.12.2-177.500000115.1D10 V63 S68 T69 N70D10-G65 VanDerWaalsContact OD2-C 3.29Å; D10-G65 VanDerWaalsContact OD2-CA 3.29Å; D10-G65 WeakPolarHBondContact OD2-CA 3.4Å; V63-G65 PolarHBondContact O-N 3.32Å; G65-S68 PolarHBondContact O-N 2.91Å; G65-T69 VanDerWaalsContact CA-OG1 3.23Å; G65-T69 WeakPolarHBondContact CA-OG1 3.34Å; G65-T69 WeakPolarHBondContact O-CA 3.43Å; G65-T69 PolarHBondContact O-N 2.97Å; G65-T69 PolarHBondContact O-OG1 3.06Å; G65-N70 PolarHBondContact O-N 3.27Å
66Y90.4Very high91.9Very high6 Ų645.7 Ų45.72%0.02424%0.244CC..THydrogen-bonded Turntrans-79.9137.8165.6173.2-95.1000110.7D10 A14 E17 Q62 V63 N70 V72 T104 V105D10-Y66 VanDerWaalsContact CB-O 3.3Å; D10-Y66 WeakPolarHBondContact CB-O 3.03Å; A14-Y66 HydrophobicContact CB-CD1 3.83Å; A14-Y66 HydrophobicContact CB-CE1 4.18Å; E17-Y66 PolarHBondContact OE1-OH 3.11Å; E17-Y66 WeakPolarHBondContact OE2-CE1 3.24Å; E17-Y66 VanDerWaalsContact OE2-CZ 3.29Å; E17-Y66 PolarHBondContact OE2-OH 3.09Å; Q62-Y66 HydrophobicContact CB-CD1 4.14Å; Q62-Y66 HydrophobicContact CG-CD1 3.78Å; Q62-Y66 HydrophobicContact CG-CE1 3.91Å; V63-Y66 WeakPolarHBondContact O-CB 3.36Å; V63-Y66 PolarHBondContact O-N 2.7Å; Y66-N70 VanDerWaalsContact CA-O 3.31Å; Y66-N70 WeakPolarHBondContact CA-O 3.44Å; Y66-N70 WeakPolarHBondContact CB-O 3.41Å; Y66-N70 WeakPolarHBondContact CD2-O 2.91Å; Y66-V72 HydrophobicContact CD2-CB 3.89Å; Y66-V72 VanDerWaalsContact CD2-N 3.26Å; Y66-V72 HydrophobicContact CE2-CB 3.61Å; Y66-V72 HydrophobicContact CE2-CG1 4.3Å; Y66-T104 WeakPolarHBondContact OH-CA 3.46Å; Y66-V105 HydrophobicContact CE2-CG1 4.24Å; Y66-V105 PolarHBondContact OH-N 3.17Å; Y66-V105 VanDerWaalsContact OH-N 3.07Å
67P88.6Confident92Very high1 Ų150.8 Ų50.81%0.00627%0.268CS..THydrogen-bonded Turncis-88-13.5233.1-34.5000116.1D10 E13 G102 S103 T104D10-P67 WeakPolarHBondContact OD1-CD 3.46Å; E13-P67 HydrophobicContact CB-CG 4.31Å; E13-P67 HydrophobicContact CG-CG 4.24Å; E13-P67 WeakPolarHBondContact OE2-CG 3.16Å; P67-G102 WeakPolarHBondContact O-CA 3.17Å; P67-G102 PolarHBondContact O-N 3.43Å; P67-S103 VanDerWaalsContact CB-C 3.4Å; P67-S103 WeakPolarHBondContact CB-O 3.39Å; P67-T104 HydrophobicContact CG-CG2 4.31Å
68S82.4Confident91.8Very high44 Ų4449.3 Ų49.331%0.30826%0.262SS..THydrogen-bonded Turntrans-62.8-49.4-167.3-62.80000115.7D10 G65D10-S68 WeakPolarHBondContact OD1-CA 3.13Å; D10-S68 WeakPolarHBondContact OD1-CB 3.28Å; D10-S68 PolarHBondContact OD1-N 3.46Å; D10-S68 PolarHBondContact OD1-OG 3.21Å; D10-S68 WeakPolarHBondContact OD2-CB 3.15Å; G65-S68 PolarHBondContact O-N 2.91Å
69T83.8Confident91.3Very high93 Ų9354.1 Ų54.157%0.57129%0.293SS*.THydrogen-bonded Turntrans-114.3-27.2-166.956.80000113.7G65G65-T69 VanDerWaalsContact CA-OG1 3.23Å; G65-T69 WeakPolarHBondContact CA-OG1 3.34Å; G65-T69 WeakPolarHBondContact O-CA 3.43Å; G65-T69 PolarHBondContact O-N 2.97Å; G65-T69 PolarHBondContact O-OG1 3.06Å
70N88.4Confident90.6Very high73 Ų7354.5 Ų54.539%0.3929%0.292SS..SBendtrans-125.2140.3178.7-72-46.9000110.6V63 P64 G65 Y66V63-N70 HydrophobicContact CG2-CB 3.71Å; P64-N70 PolarHBondContact O-ND2 3.04Å; G65-N70 PolarHBondContact O-N 3.27Å; Y66-N70 VanDerWaalsContact CA-O 3.31Å; Y66-N70 WeakPolarHBondContact CA-O 3.44Å; Y66-N70 WeakPolarHBondContact CB-O 3.41Å; Y66-N70 WeakPolarHBondContact CD2-O 2.91Å
71P86.9Confident89.9Confident58 Ų5855.2 Ų55.238%0.37730%0.296SS..PPolyproline II helixtrans-69.7159.9171.229.6-33.5000111.4V63 V97V63-P71 WeakPolarHBondContact CG2-O 2.93Å; P71-V97 HydrophobicContact CB-CG1 3.36Å; P71-V97 HydrophobicContact CG-CG1 4.33Å
72V92Very high89.2Confident3 Ų357.6 Ų57.62%0.01831%0.305CS..PPolyproline II helixtrans-63.5137.5167.3690000109.3F60 Q62 Y66 V105 V106 L109F60-V72 HydrophobicContact CB-CG2 4.17Å; F60-V72 HydrophobicContact CD1-CG1 4.45Å; F60-V72 HydrophobicContact CD1-CG2 4.08Å; Q62-V72 HydrophobicContact CG-CG2 4.48Å; Y66-V72 HydrophobicContact CD2-CB 3.89Å; Y66-V72 VanDerWaalsContact CD2-N 3.26Å; Y66-V72 HydrophobicContact CE2-CB 3.61Å; Y66-V72 HydrophobicContact CE2-CG1 4.3Å; V72-V105 HydrophobicContact CB-CG1 4.49Å; V72-V105 HydrophobicContact CG1-CG1 3.57Å; V72-V106 HydrophobicContact CG2-CG2 4.39Å; V72-L109 HydrophobicContact CG1-CD1 4.04Å
73K94.3Very high88.5Confident124 Ų12466.5 Ų66.554%0.53934%0.34SS..EExtended strand (participates in β ladder)trans-83.2141.4168.4-73.7-175.4177.1177.30108.9F60 Q61 V63F60-K73 CarbonylContact C-O 3.58Å; F60-K73 VanDerWaalsContact CA-O 3.31Å; F60-K73 WeakPolarHBondContact CA-O 3.13Å; Q61-K73 HydrophobicContact CB-CB 4.18Å; Q61-K73 PolarHBondContact N-O 3.4Å; Q61-K73 PolarHBondContact O-N 3.29Å; V63-K73 HydrophobicContact CG1-CD 3.62Å; V63-K73 HydrophobicContact CG1-CG 3.87Å
74Y95.9Very high87.7Confident62 Ų6271.9 Ų71.924%0.24337%0.368CS..EExtended strand (participates in β ladder)trans-142.4154.2175.770.4-84.5000112.3L58 K59 L93 Q94 V97L58-Y74 HydrophobicContact CD2-CD2 4.01Å; K59-Y74 CarbonylContact O-C 3.44Å; K59-Y74 WeakPolarHBondContact O-CA 3.36Å; Y74-L93 HydrophobicContact CE2-CB 4.14Å; Y74-L93 HydrophobicContact CE2-CD1 4.17Å; Y74-Q94 PolarHBondContact OH-N 3.03Å; Y74-V97 HydrophobicContact CD1-CG2 3.92Å; Y74-V97 HydrophobicContact CE1-CB 4.46Å; Y74-V97 HydrophobicContact CE1-CG2 3.54Å
75E95.7Very high87.2Confident122 Ų12268 Ų6857%0.5734%0.341SS*.EExtended strand (participates in β ladder)trans-123.8130.1171.6-63.2173.3177.600108.1L58 K59L58-E75 WeakPolarHBondContact CA-O 3.23Å; K59-E75 HydrophobicContact CB-CB 4.32Å; K59-E75 PolarHBondContact N-O 2.83Å; K59-E75 IonicContact NZ-OE2 2.7Å; K59-E75 PolarHBondContact O-N 3.44Å
76L94.3Very high87.1Confident34 Ų3469 Ų6918%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-101.8124.3179.7175.567.2000110I56 L58 L86 L89 E90 L93 I113I56-L76 HydrophobicContact CG2-CD1 3.31Å; L58-L76 HydrophobicContact CD2-CB 3.96Å; L58-L76 HydrophobicContact CD2-CD1 3.6Å; L58-L76 HydrophobicContact CD2-CG 4.39Å; L58-L76 HydrophobicContact CG-CD1 4.41Å; L76-L86 HydrophobicContact CD2-CD1 3.53Å; L76-L86 HydrophobicContact CG-CD1 4.17Å; L76-L89 HydrophobicContact CD1-CD2 4.26Å; L76-L89 HydrophobicContact CD2-CD2 3.96Å; L76-L89 HydrophobicContact CD2-CG 4.16Å; L76-E90 HydrophobicContact CD2-CG 3.79Å; L76-L93 HydrophobicContact CD1-CD1 4.33Å; L76-L93 HydrophobicContact CD2-CD1 4.14Å; L76-I113 HydrophobicContact CD1-CD1 4.23Å
77H93.8Very high86.7Confident108 Ų10870.1 Ų70.150%0.536%0.355SS..EExtended strand (participates in β ladder)trans-122.9106176.9-179.2-88.6000110.8I57 P79I57-H77 HydrophobicContact CB-CB 4.22Å; I57-H77 PolarHBondContact N-O 2.52Å; I57-H77 PolarHBondContact O-N 2.73Å; H77-P79 VanDerWaalsContact CE1-CD 3.47Å; H77-P79 WeakPolarHBondContact CE1-CD 3.49Å
78A89.7Confident86.3Confident6 Ų673.2 Ų73.25%0.0537%0.37CS..  trans-145.274.2176.600000110.8I56 W80 L81 L86I56-A78 HydrophobicContact CB-CB 4.49Å; I56-A78 HydrophobicContact CG1-CB 4.01Å; I56-A78 HydrophobicContact CG2-CB 4.25Å; A78-W80 PolarHBondContact O-N 3.34Å; A78-W80 VanDerWaalsContact O-N 3.08Å; A78-L81 HydrophobicContact CB-CB 4.22Å; A78-L81 HydrophobicContact CB-CD1 3.44Å; A78-L81 VanDerWaalsContact CB-CD1 3.44Å; A78-L81 HydrophobicContact CB-CG 4.25Å; A78-L81 WeakPolarHBondContact O-CB 2.96Å; A78-L81 PolarHBondContact O-N 3.11Å; A78-L81 VanDerWaalsContact O-N 3.11Å; A78-L86 HydrophobicContact CB-CD1 4.37Å
79P85.3Confident86.5Confident100 Ų10071.1 Ų71.165%0.64936%0.355SS*.THydrogen-bonded Turntrans-66.3-15.9-169.726.5-35.9000114.3H77H77-P79 VanDerWaalsContact CE1-CD 3.47Å; H77-P79 WeakPolarHBondContact CE1-CD 3.49Å
80W83.8Confident86.8Confident74 Ų7470.8 Ų70.828%0.2835%0.347SS..THydrogen-bonded Turntrans-89.1-12179.953.7-94.3000113E54 Q55 I56 A78 M117 L121E54-W80 HydrophobicContact CB-CD2 3.88Å; E54-W80 HydrophobicContact CB-CE3 4.08Å; E54-W80 HydrophobicContact CB-CG 4.48Å; E54-W80 HydrophobicContact CB-CH2 3.98Å; E54-W80 HydrophobicContact CB-CZ2 3.75Å; E54-W80 HydrophobicContact CB-CZ3 4.12Å; E54-W80 HydrophobicContact CG-CD2 3.79Å; E54-W80 HydrophobicContact CG-CE3 3.92Å; E54-W80 HydrophobicContact CG-CG 4.07Å; E54-W80 HydrophobicContact CG-CZ3 4.36Å; E54-W80 WeakPolarHBondContact OE2-CZ3 3.43Å; Q55-W80 PolarHBondContact O-NE1 3.05Å; I56-W80 HydrophobicContact CD1-CH2 4.2Å; I56-W80 HydrophobicContact CD1-CZ2 4.03Å; I56-W80 HydrophobicContact CG1-CH2 4.14Å; I56-W80 HydrophobicContact CG1-CZ2 3.47Å; I56-W80 VanDerWaalsContact CG1-CZ2 3.47Å; A78-W80 PolarHBondContact O-N 3.34Å; A78-W80 VanDerWaalsContact O-N 3.08Å; W80-M117 HydrophobicContact CH2-CE 4.45Å; W80-M117 HydrophobicContact CZ2-CE 4.43Å; W80-L121 HydrophobicContact CH2-CD1 3.54Å; W80-L121 HydrophobicContact CH2-CD2 3.85Å; W80-L121 HydrophobicContact CH2-CG 4.35Å; W80-L121 HydrophobicContact CZ3-CD1 3.96Å; W80-L121 HydrophobicContact CZ3-CD2 3.48Å; W80-L121 VanDerWaalsContact CZ3-CD2 3.48Å; W80-L121 HydrophobicContact CZ3-CG 4.37Å
81L82.2Confident86.5Confident16 Ų1672.7 Ų72.78%0.08435%0.352CS..SBendtrans-78.3131.6176.2-91.8157.6000110.7I56 A78 I85 L86 L89 F116 L121I56-L81 HydrophobicContact CD1-CD1 3.55Å; I56-L81 HydrophobicContact CG1-CD1 4.15Å; A78-L81 HydrophobicContact CB-CB 4.22Å; A78-L81 HydrophobicContact CB-CD1 3.44Å; A78-L81 VanDerWaalsContact CB-CD1 3.44Å; A78-L81 HydrophobicContact CB-CG 4.25Å; A78-L81 WeakPolarHBondContact O-CB 2.96Å; A78-L81 PolarHBondContact O-N 3.11Å; A78-L81 VanDerWaalsContact O-N 3.11Å; L81-I85 HydrophobicContact CD2-CB 3.87Å; L81-I85 HydrophobicContact CD2-CG2 3.31Å; L81-L86 HydrophobicContact CB-CB 4.4Å; L81-L86 HydrophobicContact CB-CD1 4.43Å; L81-L89 HydrophobicContact CD1-CD2 4.24Å; L81-F116 HydrophobicContact CD2-CE1 4.3Å; L81-L121 HydrophobicContact CD2-CD2 4.01Å
82K81.8Confident86.3Confident121 Ų12171.9 Ų71.953%0.52634%0.343SS..  trans-61.7146.7172.1-67.9179.2-179171.90110D84 I85 L86K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D84 PolarHBondContact O-N 3.08Å; K82-I85 HydrophobicContact CB-CD1 4.26Å; K82-I85 HydrophobicContact CB-CG1 4.28Å; K82-I85 PolarHBondContact O-N 3.01Å; K82-L86 PolarHBondContact O-N 2.82Å
83Y78.5Confident86Confident196 Ų19671.7 Ų71.777%0.76934%0.342SS*.Hα-helixtrans-52.5-43.7-176-173-98.6000113.7I85 L86 G87Y83-I85 VanDerWaalsContact C-N 3.35Å; Y83-I85 PolarHBondContact O-N 3.33Å; Y83-L86 PolarHBondContact O-N 3.03Å; Y83-G87 PolarHBondContact O-N 3.45Å
84D75.6Confident85.5Confident136 Ų13671.8 Ų71.873%0.72734%0.344SS*.Hα-helixtrans-64.8-39.6179.8-57.4-29.5000112.3K82 G87 E88K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D84 PolarHBondContact O-N 3.08Å; D84-G87 PolarHBondContact O-N 3.1Å; D84-E88 PolarHBondContact O-N 3.39Å; D84-E88 VanDerWaalsContact O-N 3.16Å
85I80.3Confident84.4Confident37 Ų3770.9 Ų70.919%0.1934%0.344CS..Hα-helixtrans-71.8-40.6178.8-54.7-179.3000109.6L81 K82 Y83 G87 E88 L89 F116L81-I85 HydrophobicContact CD2-CB 3.87Å; L81-I85 HydrophobicContact CD2-CG2 3.31Å; K82-I85 HydrophobicContact CB-CD1 4.26Å; K82-I85 HydrophobicContact CB-CG1 4.28Å; K82-I85 PolarHBondContact O-N 3.01Å; Y83-I85 VanDerWaalsContact C-N 3.35Å; Y83-I85 PolarHBondContact O-N 3.33Å; I85-G87 VanDerWaalsContact C-N 3.34Å; I85-E88 PolarHBondContact O-N 3.16Å; I85-L89 PolarHBondContact O-N 3.33Å; I85-F116 HydrophobicContact CG2-CE1 3.67Å; I85-F116 HydrophobicContact CG2-CZ 3.4Å; I85-F116 VanDerWaalsContact CG2-CZ 3.4Å; I85-F116 WeakPolarHBondContact O-CZ 2.94Å
86L85.4Confident83.5Confident34 Ų3465.7 Ų65.718%0.17832%0.32CS..Hα-helixtrans-60.2-44.1174.4-173.668.5000111.1L76 A78 L81 K82 Y83 E88 L89 E90L76-L86 HydrophobicContact CD2-CD1 3.53Å; L76-L86 HydrophobicContact CG-CD1 4.17Å; A78-L86 HydrophobicContact CB-CD1 4.37Å; L81-L86 HydrophobicContact CB-CB 4.4Å; L81-L86 HydrophobicContact CB-CD1 4.43Å; K82-L86 PolarHBondContact O-N 2.82Å; Y83-L86 PolarHBondContact O-N 3.03Å; L86-E88 VanDerWaalsContact C-N 3.35Å; L86-E88 PolarHBondContact O-N 3.49Å; L86-L89 WeakPolarHBondContact O-CB 3.46Å; L86-L89 PolarHBondContact O-N 2.87Å; L86-E90 WeakPolarHBondContact O-CG 3.29Å; L86-E90 PolarHBondContact O-N 3.21Å
87G82Confident82.7Confident30 Ų3064.8 Ų64.831%0.30932%0.316SS..Hα-helixtrans-63.1-37.6177.500000113.3Y83 D84 I85 K91Y83-G87 PolarHBondContact O-N 3.45Å; D84-G87 PolarHBondContact O-N 3.1Å; I85-G87 VanDerWaalsContact C-N 3.34Å; G87-K91 WeakPolarHBondContact O-CB 3.16Å; G87-K91 PolarHBondContact O-N 3.49Å
88E81.2Confident81.8Confident66 Ų6662.3 Ų62.331%0.30831%0.311SS..Hα-helixtrans-67.1-41173.5-177.753.6-146.500111.6D84 I85 L86 K91 Q92 F116D84-E88 PolarHBondContact O-N 3.39Å; D84-E88 VanDerWaalsContact O-N 3.16Å; I85-E88 PolarHBondContact O-N 3.16Å; L86-E88 VanDerWaalsContact C-N 3.35Å; L86-E88 PolarHBondContact O-N 3.49Å; E88-K91 PolarHBondContact O-N 3.07Å; E88-Q92 WeakPolarHBondContact O-CG 3.26Å; E88-Q92 PolarHBondContact O-N 3.13Å; E88-Q92 VanDerWaalsContact O-N 3.08Å; E88-Q92 PolarHBondContact OE1-NE2 3.45Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.11Å; E88-F116 HydrophobicContact CG-CE2 4.23Å
89L86.8Confident80.5Confident0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-62.5-47.8173.8176.756.9000111.7I56 L76 L81 I85 L86 K91 Q92 L93 I113 F116I56-L89 HydrophobicContact CD1-CD2 3.91Å; L76-L89 HydrophobicContact CD1-CD2 4.26Å; L76-L89 HydrophobicContact CD2-CD2 3.96Å; L76-L89 HydrophobicContact CD2-CG 4.16Å; L81-L89 HydrophobicContact CD1-CD2 4.24Å; I85-L89 PolarHBondContact O-N 3.33Å; L86-L89 WeakPolarHBondContact O-CB 3.46Å; L86-L89 PolarHBondContact O-N 2.87Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 3.27Å; L89-Q92 PolarHBondContact O-N 3.26Å; L89-Q92 VanDerWaalsContact O-N 3.1Å; L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD1-CD2 4.5Å; L89-L93 HydrophobicContact CD1-CG 4.09Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 HydrophobicContact CG-CG 4.44Å; L89-L93 WeakPolarHBondContact O-CG 3.21Å; L89-L93 PolarHBondContact O-N 2.83Å; L89-I113 HydrophobicContact CD1-CG1 3.99Å; L89-I113 HydrophobicContact CD2-CG1 4.48Å; L89-F116 HydrophobicContact CB-CD1 4.23Å; L89-F116 HydrophobicContact CB-CD2 4.29Å; L89-F116 HydrophobicContact CB-CE1 3.91Å; L89-F116 HydrophobicContact CB-CE2 3.98Å; L89-F116 HydrophobicContact CB-CG 4.41Å; L89-F116 HydrophobicContact CB-CZ 3.77Å; L89-F116 HydrophobicContact CD1-CB 3.93Å; L89-F116 HydrophobicContact CD1-CD1 3.99Å; L89-F116 HydrophobicContact CD1-CD2 4.06Å; L89-F116 HydrophobicContact CD1-CG 3.73Å; L89-F116 HydrophobicContact CD2-CD1 4.14Å; L89-F116 HydrophobicContact CD2-CE1 4.27Å; L89-F116 HydrophobicContact CG-CD1 4.34Å; L89-F116 HydrophobicContact CG-CE1 4.46Å; L89-F116 HydrophobicContact CG-CG 4.49Å
90E89.1Confident79.6Confident87 Ų8758.6 Ų58.641%0.40729%0.287SS..Hα-helixtrans-57.6-40.9177.6-76.3-177.2154.900111.7L76 L86 L93 Q94L76-E90 HydrophobicContact CD2-CG 3.79Å; L86-E90 WeakPolarHBondContact O-CG 3.29Å; L86-E90 PolarHBondContact O-N 3.21Å; E90-L93 PolarHBondContact O-N 3.33Å; E90-Q94 VanDerWaalsContact O-CB 3.3Å; E90-Q94 WeakPolarHBondContact O-CB 3.49Å; E90-Q94 PolarHBondContact O-N 3.38Å
91K81.7Confident79.2Confident112 Ų11258.2 Ų58.249%0.48729%0.29SS..Hα-helixtrans-61.9-42.9175.4-175.4-176.1176.6-170.60111.9G87 E88 L89 L95G87-K91 WeakPolarHBondContact O-CB 3.16Å; G87-K91 PolarHBondContact O-N 3.49Å; E88-K91 PolarHBondContact O-N 3.07Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 3.27Å; K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 PolarHBondContact O-N 3.31Å
92Q82.7Confident78.8Confident41 Ų4159 Ų5919%0.19230%0.303CS..Hα-helixtrans-64.5-41.7175.9-69.8178.630.400111.8E88 L89 L95 V96 T112E88-Q92 WeakPolarHBondContact O-CG 3.26Å; E88-Q92 PolarHBondContact O-N 3.13Å; E88-Q92 VanDerWaalsContact O-N 3.08Å; E88-Q92 PolarHBondContact OE1-NE2 3.45Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.11Å; L89-Q92 PolarHBondContact O-N 3.26Å; L89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-L95 WeakPolarHBondContact O-CB 3.2Å; Q92-L95 PolarHBondContact O-N 3.38Å; Q92-V96 WeakPolarHBondContact O-CG2 3.3Å; Q92-V96 PolarHBondContact O-N 2.88Å; Q92-V96 VanDerWaalsContact O-N 3.09Å; Q92-T112 HydrophobicContact CB-CG2 3.97Å
93L86.9Confident78.7Confident0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-67.6-45.4177.6-64.1176.3000112.5L58 Y74 L76 L89 E90 L95 V96 V97 L109 T112 I113L58-L93 HydrophobicContact CD2-CD1 4.24Å; Y74-L93 HydrophobicContact CE2-CB 4.14Å; Y74-L93 HydrophobicContact CE2-CD1 4.17Å; L76-L93 HydrophobicContact CD1-CD1 4.33Å; L76-L93 HydrophobicContact CD2-CD1 4.14Å; L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD1-CD2 4.5Å; L89-L93 HydrophobicContact CD1-CG 4.09Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 HydrophobicContact CG-CG 4.44Å; L89-L93 WeakPolarHBondContact O-CG 3.21Å; L89-L93 PolarHBondContact O-N 2.83Å; E90-L93 PolarHBondContact O-N 3.33Å; L93-L95 PolarHBondContact O-N 2.86Å; L93-V96 PolarHBondContact O-N 3.12Å; L93-V96 VanDerWaalsContact O-N 3.1Å; L93-V97 PolarHBondContact O-N 2.85Å; L93-L109 HydrophobicContact CB-CD2 4.13Å; L93-L109 HydrophobicContact CD2-CB 4.24Å; L93-L109 HydrophobicContact CD2-CD2 3.79Å; L93-L109 WeakPolarHBondContact O-CD2 3.43Å; L93-T112 HydrophobicContact CD2-CG2 4.02Å; L93-I113 HydrophobicContact CD1-CD1 4.13Å; L93-I113 HydrophobicContact CD1-CG1 4.24Å; L93-I113 HydrophobicContact CD2-CD1 4.3Å; L93-I113 HydrophobicContact CD2-CG1 3.91Å
94Q83.2Confident79.1Confident125 Ų12548.4 Ų48.458%0.58427%0.27SS*.Hα-helixtrans-60.7-36.7177.2-172.8174.515.400111.1Y74 E90 S98Y74-Q94 PolarHBondContact OH-N 3.03Å; E90-Q94 VanDerWaalsContact O-CB 3.3Å; E90-Q94 WeakPolarHBondContact O-CB 3.49Å; E90-Q94 PolarHBondContact O-N 3.38Å; Q94-S98 VanDerWaalsContact O-CB 3.26Å; Q94-S98 WeakPolarHBondContact O-CB 3.36Å; Q94-S98 PolarHBondContact O-N 2.93Å; Q94-S98 PolarHBondContact O-OG 3.46Å
95L73.2Confident79.7Confident44 Ų4442.1 Ų42.123%0.2324%0.236CC..Hα-helixtrans-63.2-44.7175.2-176.971.7000111.5K91 Q92 L93 S98 S99 H243 R247K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 PolarHBondContact O-N 3.31Å; Q92-L95 WeakPolarHBondContact O-CB 3.2Å; Q92-L95 PolarHBondContact O-N 3.38Å; L93-L95 PolarHBondContact O-N 2.86Å; L95-S98 PolarHBondContact O-N 2.94Å; L95-S99 PolarHBondContact O-N 3.45Å; L95-S99 VanDerWaalsContact O-N 3.07Å; L95-S99 PolarHBondContact O-OG 3.45Å; L95-S99 VanDerWaalsContact O-OG 3.09Å; L95-H243 HydrophobicContact CD1-CB 3.89Å; L95-H243 HydrophobicContact CD2-CB 3.94Å; L95-R247 VanDerWaalsContact CD1-CZ 3.47Å; L95-R247 HydrophobicContact CD2-CG 4.4Å; L95-R247 PolarHBondContact O-NH1 3.05Å; L95-R247 VanDerWaalsContact O-NH1 3.11Å; L95-R247 PolarHBondContact O-NH2 2.72Å
96V76.1Confident80.3Confident13 Ų1340.3 Ų40.38%0.07923%0.227CC..Hα-helixtrans-64.6-45.2176.7171.60000111.6Q92 L93 S98 S99 S100 V105 M108 L109 T112Q92-V96 WeakPolarHBondContact O-CG2 3.3Å; Q92-V96 PolarHBondContact O-N 2.88Å; Q92-V96 VanDerWaalsContact O-N 3.09Å; L93-V96 PolarHBondContact O-N 3.12Å; L93-V96 VanDerWaalsContact O-N 3.1Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.96Å; V96-S99 WeakPolarHBondContact CA-OG 3.5Å; V96-S99 PolarHBondContact O-N 3.19Å; V96-S99 PolarHBondContact O-OG 3.43Å; V96-S100 WeakPolarHBondContact O-CB 3.4Å; V96-S100 PolarHBondContact O-N 2.77Å; V96-S100 PolarHBondContact O-OG 3.4Å; V96-V105 HydrophobicContact CG1-CG2 3.58Å; V96-M108 HydrophobicContact CG1-CB 3.83Å; V96-L109 HydrophobicContact CB-CD2 3.74Å; V96-L109 HydrophobicContact CG1-CD2 3.56Å; V96-L109 HydrophobicContact CG1-CG 4.02Å; V96-T112 HydrophobicContact CG2-CG2 4.32Å; V96-T112 WeakPolarHBondContact CG2-OG1 3.45Å
97V77.9Confident80.4Confident14 Ų1443.3 Ų43.39%0.08524%0.237CC..Hα-helixtrans-60.1-46.8175173.90000111.1P71 Y74 L93 S99 S100 L109P71-V97 HydrophobicContact CB-CG1 3.36Å; P71-V97 HydrophobicContact CG-CG1 4.33Å; Y74-V97 HydrophobicContact CD1-CG2 3.92Å; Y74-V97 HydrophobicContact CE1-CB 4.46Å; Y74-V97 HydrophobicContact CE1-CG2 3.54Å; L93-V97 PolarHBondContact O-N 2.85Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.49Å; V97-S100 PolarHBondContact O-N 2.79Å; V97-L109 HydrophobicContact CG2-CD1 3.78Å; V97-L109 HydrophobicContact CG2-CD2 3.67Å; V97-L109 HydrophobicContact CG2-CG 4.3Å
98S73.5Confident80.6Confident57 Ų5744.6 Ų44.640%0.39924%0.236SC..Hα-helixtrans-63.6-34.9-176.8-590000112.1Q94 L95 V96 P275Q94-S98 VanDerWaalsContact O-CB 3.26Å; Q94-S98 WeakPolarHBondContact O-CB 3.36Å; Q94-S98 PolarHBondContact O-N 2.93Å; Q94-S98 PolarHBondContact O-OG 3.46Å; L95-S98 PolarHBondContact O-N 2.94Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.96Å; S98-P275 WeakPolarHBondContact O-CB 3.38Å; S98-P275 WeakPolarHBondContact O-CG 3.43Å
99S63.5Low80.9Confident7 Ų741.5 Ų41.55%0.04922%0.221CC..Hα-helixtrans-76.3-18178.345.40000115.7L95 V96 V97 R247 K279L95-S99 PolarHBondContact O-N 3.45Å; L95-S99 VanDerWaalsContact O-N 3.07Å; L95-S99 PolarHBondContact O-OG 3.45Å; L95-S99 VanDerWaalsContact O-OG 3.09Å; V96-S99 WeakPolarHBondContact CA-OG 3.5Å; V96-S99 PolarHBondContact O-N 3.19Å; V96-S99 PolarHBondContact O-OG 3.43Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.49Å; S99-R247 VanDerWaalsContact CB-CZ 3.46Å; S99-R247 PolarHBondContact OG-NH1 3.07Å; S99-K279 WeakPolarHBondContact O-CE 3.26Å; S99-K279 WeakPolarHBondContact O-CG 3.27Å
100S67.2Low81.1Confident20 Ų2041.5 Ų41.514%0.1422%0.221CC..THydrogen-bonded Turntrans-108.714.7-165.2-54.50000112.8V96 V97 G102 S103 V105V96-S100 WeakPolarHBondContact O-CB 3.4Å; V96-S100 PolarHBondContact O-N 2.77Å; V96-S100 PolarHBondContact O-OG 3.4Å; V97-S100 PolarHBondContact O-N 2.79Å; S100-G102 PolarHBondContact O-N 3.26Å; S100-G102 VanDerWaalsContact O-N 3.1Å; S100-S103 PolarHBondContact O-N 2.81Å; S100-S103 PolarHBondContact O-OG 3.22Å; S100-V105 VanDerWaalsContact OG-CG2 3.28Å; S100-V105 WeakPolarHBondContact OG-CG2 3.48Å
101L74.5Confident81Confident66 Ų6638.6 Ų38.635%0.34621%0.208SC..THydrogen-bonded Turntrans-59.4111177.9-176.371.2000111.1K279L101-K279 WeakPolarHBondContact O-CE 3.4Å; L101-K279 PolarHBondContact O-NZ 3.47Å
102G73.6Confident81Confident34 Ų3433.6 Ų33.635%0.35119%0.186SC..THydrogen-bonded Turntrans109.42.8-171.800000114.7P67 S100P67-G102 WeakPolarHBondContact O-CA 3.17Å; P67-G102 PolarHBondContact O-N 3.43Å; S100-G102 PolarHBondContact O-N 3.26Å; S100-G102 VanDerWaalsContact O-N 3.1Å
103S79.3Confident81.3Confident41 Ų4131.6 Ų31.629%0.28718%0.177SC..SBendtrans-146.9150.6171.753.70000109.8P67 S100P67-S103 VanDerWaalsContact CB-C 3.4Å; P67-S103 WeakPolarHBondContact CB-O 3.39Å; S100-S103 PolarHBondContact O-N 2.81Å; S100-S103 PolarHBondContact O-OG 3.22Å
104T87Confident81.2Confident52 Ų5233.4 Ų33.432%0.31918%0.184SC..  trans-55.3135.4168530000111.6E13 E17 Y66 P67E13-T104 HydrophobicContact CG-CG2 3.76Å; E13-T104 PolarHBondContact OE1-N 3.47Å; E17-T104 HydrophobicContact CB-CG2 3.63Å; E17-T104 HydrophobicContact CG-CG2 3.8Å; E17-T104 VanDerWaalsContact OE1-CB 3.22Å; E17-T104 WeakPolarHBondContact OE1-CB 3.37Å; Y66-T104 WeakPolarHBondContact OH-CA 3.46Å; P67-T104 HydrophobicContact CG-CG2 4.31Å
105V88.2Confident81Confident4 Ų428.7 Ų28.72%0.02416%0.164CC..  trans-130-10.3-168.470.90000114.5E17 Y66 V72 V96 S100 Y107 M108 L109E17-V105 PolarHBondContact OE1-N 2.85Å; Y66-V105 HydrophobicContact CE2-CG1 4.24Å; Y66-V105 PolarHBondContact OH-N 3.17Å; Y66-V105 VanDerWaalsContact OH-N 3.07Å; V72-V105 HydrophobicContact CB-CG1 4.49Å; V72-V105 HydrophobicContact CG1-CG1 3.57Å; V96-V105 HydrophobicContact CG1-CG2 3.58Å; S100-V105 VanDerWaalsContact OG-CG2 3.28Å; S100-V105 WeakPolarHBondContact OG-CG2 3.48Å; V105-Y107 VanDerWaalsContact C-N 3.33Å; V105-Y107 PolarHBondContact O-N 2.97Å; V105-M108 HydrophobicContact CG2-CB 4.27Å; V105-M108 WeakPolarHBondContact O-CB 3.34Å; V105-M108 PolarHBondContact O-N 2.86Å; V105-L109 HydrophobicContact CG1-CD1 4.08Å; V105-L109 HydrophobicContact CG2-CG 4.27Å; V105-L109 PolarHBondContact O-N 3.36Å; V105-L109 VanDerWaalsContact O-N 3.08Å
106V92.5Very high81.4Confident0 Ų026.6 Ų26.60%015%0.154CC..Hα-helixtrans-60.9-43.8-169.4174.20000111.7E17 L21 Y39 I41 F60 V72 M108 L109 V110E17-V106 VanDerWaalsContact OE1-CB 3.29Å; E17-V106 WeakPolarHBondContact OE1-CB 3.4Å; E17-V106 VanDerWaalsContact OE1-CG2 3.28Å; E17-V106 WeakPolarHBondContact OE1-CG2 3.38Å; E17-V106 PolarHBondContact OE1-N 2.96Å; L21-V106 HydrophobicContact CD1-CB 3.7Å; L21-V106 HydrophobicContact CD1-CG1 3.47Å; L21-V106 VanDerWaalsContact CD1-CG1 3.47Å; L21-V106 HydrophobicContact CD1-CG2 4.19Å; L21-V106 HydrophobicContact CD2-CB 4.08Å; L21-V106 HydrophobicContact CD2-CG1 3.77Å; L21-V106 HydrophobicContact CG-CG1 4.28Å; Y39-V106 HydrophobicContact CE2-CG1 4.19Å; Y39-V106 HydrophobicContact CE2-CG2 4.4Å; Y39-V106 VanDerWaalsContact OH-CG2 3.31Å; Y39-V106 WeakPolarHBondContact OH-CG2 3.39Å; I41-V106 HydrophobicContact CD1-CG1 3.81Å; F60-V106 HydrophobicContact CD1-CG1 4.38Å; F60-V106 HydrophobicContact CD1-CG2 4.16Å; F60-V106 HydrophobicContact CD2-CG1 4.13Å; F60-V106 HydrophobicContact CE1-CG1 4.03Å; F60-V106 HydrophobicContact CE1-CG2 4.32Å; F60-V106 HydrophobicContact CE2-CG1 3.75Å; F60-V106 HydrophobicContact CG-CG1 4.41Å; F60-V106 HydrophobicContact CG-CG2 4.47Å; F60-V106 HydrophobicContact CZ-CG1 3.66Å; V72-V106 HydrophobicContact CG2-CG2 4.39Å; V106-M108 VanDerWaalsContact C-N 3.29Å; V106-M108 PolarHBondContact O-N 3.35Å; V106-L109 WeakPolarHBondContact O-CB 3.3Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.09Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.1Å
107Y89.2Confident81.6Confident96 Ų9626 Ų2638%0.37615%0.15SC..Hα-helixtrans-54.7-46.7175.5177.6-96.6000111.4I24 Y25 V105 L109 V110 E111I24-Y107 HydrophobicContact CD1-CD2 4.05Å; I24-Y107 HydrophobicContact CD1-CE2 4.24Å; I24-Y107 HydrophobicContact CG2-CE2 4.3Å; Y25-Y107 HydrophobicContact CE2-CD2 4.35Å; Y25-Y107 WeakPolarHBondContact OH-CD2 3.39Å; V105-Y107 VanDerWaalsContact C-N 3.33Å; V105-Y107 PolarHBondContact O-N 2.97Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 2.98Å; Y107-V110 PolarHBondContact O-N 2.52Å; Y107-E111 HydrophobicContact CD1-CG 4.12Å; Y107-E111 HydrophobicContact CD2-CG 4.42Å; Y107-E111 HydrophobicContact CE1-CG 3.67Å; Y107-E111 HydrophobicContact CE2-CG 3.99Å; Y107-E111 HydrophobicContact CG-CG 4.47Å; Y107-E111 WeakPolarHBondContact O-CG 3.46Å; Y107-E111 PolarHBondContact O-N 2.84Å
108M84.5Confident81.3Confident58 Ų5828.7 Ų28.729%0.28617%0.168SC..Hα-helixtrans-62-36.9178.3-67.5-64.8-56.500112.4V96 V105 V106 T112 L254V96-M108 HydrophobicContact CG1-CB 3.83Å; V105-M108 HydrophobicContact CG2-CB 4.27Å; V105-M108 WeakPolarHBondContact O-CB 3.34Å; V105-M108 PolarHBondContact O-N 2.86Å; V106-M108 VanDerWaalsContact C-N 3.29Å; V106-M108 PolarHBondContact O-N 3.35Å; M108-T112 WeakPolarHBondContact O-CB 3.33Å; M108-T112 PolarHBondContact O-N 3.41Å; M108-T112 PolarHBondContact O-OG1 2.68Å; M108-L254 HydrophobicContact CE-CD1 3.46Å; M108-L254 VanDerWaalsContact CE-CD1 3.46Å; M108-L254 HydrophobicContact SD-CD1 3.56Å; M108-L254 VanDerWaalsContact SD-CD1 3.56Å
109L89.3Confident81Confident0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-66.3-44.7176.9-66.7168.1000111.6L58 F60 V72 L93 V96 V97 V105 V106 Y107 E111 T112 I113L58-L109 HydrophobicContact CD1-CB 4.13Å; F60-L109 HydrophobicContact CE1-CB 4.41Å; F60-L109 HydrophobicContact CE1-CD1 3.69Å; F60-L109 HydrophobicContact CZ-CB 4.49Å; V72-L109 HydrophobicContact CG1-CD1 4.04Å; L93-L109 HydrophobicContact CB-CD2 4.13Å; L93-L109 HydrophobicContact CD2-CB 4.24Å; L93-L109 HydrophobicContact CD2-CD2 3.79Å; L93-L109 WeakPolarHBondContact O-CD2 3.43Å; V96-L109 HydrophobicContact CB-CD2 3.74Å; V96-L109 HydrophobicContact CG1-CD2 3.56Å; V96-L109 HydrophobicContact CG1-CG 4.02Å; V97-L109 HydrophobicContact CG2-CD1 3.78Å; V97-L109 HydrophobicContact CG2-CD2 3.67Å; V97-L109 HydrophobicContact CG2-CG 4.3Å; V105-L109 HydrophobicContact CG1-CD1 4.08Å; V105-L109 HydrophobicContact CG2-CG 4.27Å; V105-L109 PolarHBondContact O-N 3.36Å; V105-L109 VanDerWaalsContact O-N 3.08Å; V106-L109 WeakPolarHBondContact O-CB 3.3Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.09Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 2.98Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 3.2Å; L109-T112 WeakPolarHBondContact O-CB 3.5Å; L109-T112 PolarHBondContact O-N 3.46Å; L109-I113 PolarHBondContact O-N 2.77Å; L109-I113 VanDerWaalsContact O-N 3.07Å
110V90.9Very high81.2Confident0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-62.2-44.1176.8174.40000110.9Y25 I41 I43 F60 V106 Y107 T112 I113 R114Y25-V110 HydrophobicContact CD1-CG1 4.33Å; Y25-V110 HydrophobicContact CE1-CB 4.24Å; Y25-V110 HydrophobicContact CE1-CG1 3.38Å; Y25-V110 HydrophobicContact CE2-CG1 4.47Å; Y25-V110 HydrophobicContact CE2-CG2 4.36Å; Y25-V110 VanDerWaalsContact CZ-CG1 3.49Å; Y25-V110 WeakPolarHBondContact OH-CB 3.23Å; Y25-V110 WeakPolarHBondContact OH-CG1 3.27Å; I41-V110 HydrophobicContact CB-CG2 4.24Å; I41-V110 HydrophobicContact CD1-CG2 3.63Å; I41-V110 HydrophobicContact CG2-CG1 4.35Å; I41-V110 HydrophobicContact CG2-CG2 3.99Å; I43-V110 HydrophobicContact CD1-CB 4.16Å; I43-V110 HydrophobicContact CD1-CG1 3.8Å; I43-V110 HydrophobicContact CD1-CG2 4.15Å; I43-V110 HydrophobicContact CG1-CG1 3.91Å; F60-V110 HydrophobicContact CZ-CG2 4.43Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.1Å; Y107-V110 PolarHBondContact O-N 2.52Å; V110-T112 VanDerWaalsContact C-N 3.35Å; V110-T112 PolarHBondContact O-N 3.39Å; V110-I113 WeakPolarHBondContact O-CB 3.37Å; V110-I113 PolarHBondContact O-N 2.88Å; V110-R114 PolarHBondContact O-N 2.99Å
111E85.1Confident81.1Confident27 Ų2735.3 Ų35.313%0.12619%0.19CC..Hα-helixtrans-70.3-30.9178.8-66.8-51.7113.800113.1Y25 Y107 L109 I113 R114 S115 L254Y25-E111 PolarHBondContact OH-OE1 3.31Å; Y107-E111 HydrophobicContact CD1-CG 4.12Å; Y107-E111 HydrophobicContact CD2-CG 4.42Å; Y107-E111 HydrophobicContact CE1-CG 3.67Å; Y107-E111 HydrophobicContact CE2-CG 3.99Å; Y107-E111 HydrophobicContact CG-CG 4.47Å; Y107-E111 WeakPolarHBondContact O-CG 3.46Å; Y107-E111 PolarHBondContact O-N 2.84Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 3.2Å; E111-I113 VanDerWaalsContact C-N 3.33Å; E111-R114 PolarHBondContact O-N 3.07Å; E111-R114 WeakPolarHBondContact OE1-CD 3.35Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 3.29Å; E111-R114 IonicContact OE1-NH1 3.76Å; E111-R114 PolarHBondContact OE1-NH1 3.05Å; E111-S115 WeakPolarHBondContact O-CB 3.4Å; E111-S115 PolarHBondContact O-N 3.36Å; E111-L254 HydrophobicContact CB-CD1 3.66Å; E111-L254 HydrophobicContact CB-CD2 3.52Å; E111-L254 HydrophobicContact CB-CG 4.22Å; E111-L254 HydrophobicContact CG-CD1 4.29Å; E111-L254 HydrophobicContact CG-CD2 4.28Å
112T83.3Confident80.3Confident6 Ų634.8 Ų34.84%0.03719%0.191CC..Hα-helixtrans-60-44.7169.4-60.60000110.6Q92 L93 V96 M108 L109 V110 S115 F116 H250Q92-T112 HydrophobicContact CB-CG2 3.97Å; L93-T112 HydrophobicContact CD2-CG2 4.02Å; V96-T112 HydrophobicContact CG2-CG2 4.32Å; V96-T112 WeakPolarHBondContact CG2-OG1 3.45Å; M108-T112 WeakPolarHBondContact O-CB 3.33Å; M108-T112 PolarHBondContact O-N 3.41Å; M108-T112 PolarHBondContact O-OG1 2.68Å; L109-T112 WeakPolarHBondContact O-CB 3.5Å; L109-T112 PolarHBondContact O-N 3.46Å; V110-T112 VanDerWaalsContact C-N 3.35Å; V110-T112 PolarHBondContact O-N 3.39Å; T112-S115 PolarHBondContact O-N 2.89Å; T112-F116 WeakPolarHBondContact O-CB 3.23Å; T112-F116 PolarHBondContact O-N 3.1Å; T112-H250 PolarHBondContact OG1-NE2 3.48Å
113I89Confident79Confident0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-63.4-48.2174.5-69.8173.2000111I43 I56 L58 L76 L89 L93 L109 V110 E111 S115 F116 M117I43-I113 HydrophobicContact CB-CG2 4.18Å; I43-I113 HydrophobicContact CD1-CB 3.78Å; I43-I113 HydrophobicContact CD1-CD1 3.48Å; I43-I113 VanDerWaalsContact CD1-CD1 3.48Å; I43-I113 HydrophobicContact CD1-CG1 4.19Å; I43-I113 HydrophobicContact CD1-CG2 3.78Å; I43-I113 HydrophobicContact CG2-CG2 3.85Å; I56-I113 HydrophobicContact CB-CG2 3.95Å; I56-I113 HydrophobicContact CD1-CG2 3.76Å; I56-I113 HydrophobicContact CG1-CG2 4.32Å; I56-I113 HydrophobicContact CG2-CD1 3.87Å; I56-I113 HydrophobicContact CG2-CG2 3.98Å; L58-I113 HydrophobicContact CD1-CD1 3.24Å; L58-I113 HydrophobicContact CD1-CG1 4.43Å; L58-I113 HydrophobicContact CD2-CD1 3.9Å; L58-I113 HydrophobicContact CG-CD1 3.34Å; L76-I113 HydrophobicContact CD1-CD1 4.23Å; L89-I113 HydrophobicContact CD1-CG1 3.99Å; L89-I113 HydrophobicContact CD2-CG1 4.48Å; L93-I113 HydrophobicContact CD1-CD1 4.13Å; L93-I113 HydrophobicContact CD1-CG1 4.24Å; L93-I113 HydrophobicContact CD2-CD1 4.3Å; L93-I113 HydrophobicContact CD2-CG1 3.91Å; L109-I113 PolarHBondContact O-N 2.77Å; L109-I113 VanDerWaalsContact O-N 3.07Å; V110-I113 WeakPolarHBondContact O-CB 3.37Å; V110-I113 PolarHBondContact O-N 2.88Å; E111-I113 VanDerWaalsContact C-N 3.33Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.35Å; I113-F116 CarbonylContact O-C 3.55Å; I113-F116 WeakPolarHBondContact O-CA 3.37Å; I113-F116 WeakPolarHBondContact O-CB 3.42Å; I113-F116 PolarHBondContact O-N 3.09Å; I113-M117 HydrophobicContact CG2-CG 4.01Å; I113-M117 HydrophobicContact CG2-SD 3.76Å; I113-M117 VanDerWaalsContact O-CG 3.26Å; I113-M117 WeakPolarHBondContact O-CG 3.41Å; I113-M117 PolarHBondContact O-N 3.2Å
114R84.4Confident77.4Confident38 Ų3837.8 Ų37.814%0.14321%0.206CC..Hα-helixtrans-57.4-43.6179.1-74.6-179.9171.7161.5-3.3111.4E28 I43 V110 E111 M117 C118E28-R114 IonicContact OE2-CZ 3.69Å; E28-R114 IonicContact OE2-NH2 2.85Å; E28-R114 PolarHBondContact OE2-NH2 2.9Å; I43-R114 HydrophobicContact CG2-CG 3.56Å; V110-R114 PolarHBondContact O-N 2.99Å; E111-R114 PolarHBondContact O-N 3.07Å; E111-R114 WeakPolarHBondContact OE1-CD 3.35Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 3.29Å; E111-R114 IonicContact OE1-NH1 3.76Å; E111-R114 PolarHBondContact OE1-NH1 3.05Å; R114-M117 PolarHBondContact O-N 3.37Å; R114-C118 PolarHBondContact O-N 3.01Å; R114-C118 PolarHBondContact O-SG 2.83Å; R114-C118 VanDerWaalsContact O-SG 3.35Å
115S78.2Confident75.2Confident25 Ų2541.2 Ų41.218%0.17523%0.227CC..Hα-helixtrans-62.8-42.6174.8-175.90000112E111 T112 I113 C118 N119E111-S115 WeakPolarHBondContact O-CB 3.4Å; E111-S115 PolarHBondContact O-N 3.36Å; T112-S115 PolarHBondContact O-N 2.89Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.35Å; S115-C118 PolarHBondContact O-N 3.21Å; S115-N119 WeakPolarHBondContact O-CB 3.49Å; S115-N119 VanDerWaalsContact O-CG 3.29Å; S115-N119 PolarHBondContact O-N 2.76Å; S115-N119 PolarHBondContact O-ND2 3.17Å; S115-N119 PolarHBondContact OG-ND2 3.15Å
116F82.1Confident72.8Confident1 Ų149 Ų490%0.00426%0.263CS..Hα-helixtrans-60.6-46.2175.6-174.8-92.4000112L81 I85 E88 L89 T112 I113 C118 N119 Y120L81-F116 HydrophobicContact CD2-CE1 4.3Å; I85-F116 HydrophobicContact CG2-CE1 3.67Å; I85-F116 HydrophobicContact CG2-CZ 3.4Å; I85-F116 VanDerWaalsContact CG2-CZ 3.4Å; I85-F116 WeakPolarHBondContact O-CZ 2.94Å; E88-F116 HydrophobicContact CG-CE2 4.23Å; L89-F116 HydrophobicContact CB-CD1 4.23Å; L89-F116 HydrophobicContact CB-CD2 4.29Å; L89-F116 HydrophobicContact CB-CE1 3.91Å; L89-F116 HydrophobicContact CB-CE2 3.98Å; L89-F116 HydrophobicContact CB-CG 4.41Å; L89-F116 HydrophobicContact CB-CZ 3.77Å; L89-F116 HydrophobicContact CD1-CB 3.93Å; L89-F116 HydrophobicContact CD1-CD1 3.99Å; L89-F116 HydrophobicContact CD1-CD2 4.06Å; L89-F116 HydrophobicContact CD1-CG 3.73Å; L89-F116 HydrophobicContact CD2-CD1 4.14Å; L89-F116 HydrophobicContact CD2-CE1 4.27Å; L89-F116 HydrophobicContact CG-CD1 4.34Å; L89-F116 HydrophobicContact CG-CE1 4.46Å; L89-F116 HydrophobicContact CG-CG 4.49Å; T112-F116 WeakPolarHBondContact O-CB 3.23Å; T112-F116 PolarHBondContact O-N 3.1Å; I113-F116 CarbonylContact O-C 3.55Å; I113-F116 WeakPolarHBondContact O-CA 3.37Å; I113-F116 WeakPolarHBondContact O-CB 3.42Å; I113-F116 PolarHBondContact O-N 3.09Å; F116-C118 VanDerWaalsContact C-N 3.33Å; F116-C118 PolarHBondContact O-N 3.31Å; F116-N119 PolarHBondContact O-N 2.94Å; F116-Y120 AromaticContact CD2-CD2 3.38Å; F116-Y120 HydrophobicContact CD2-CD2 3.38Å; F116-Y120 AromaticContact CD2-CE2 3.75Å; F116-Y120 HydrophobicContact CD2-CE2 3.75Å; F116-Y120 HydrophobicContact CD2-CG 4.02Å; F116-Y120 HydrophobicContact CE2-CD1 4.31Å; F116-Y120 AromaticContact CE2-CD2 3.57Å; F116-Y120 HydrophobicContact CE2-CD2 3.57Å; F116-Y120 AromaticContact CE2-CE2 3.97Å; F116-Y120 HydrophobicContact CE2-CE2 3.97Å; F116-Y120 AromaticContact CE2-CG 3.76Å; F116-Y120 HydrophobicContact CE2-CG 3.76Å; F116-Y120 AromaticContact CG-CD2 3.96Å; F116-Y120 HydrophobicContact CG-CD2 3.96Å; F116-Y120 HydrophobicContact CZ-CD2 4.29Å; F116-Y120 HydrophobicContact CZ-CG 4.1Å; F116-Y120 WeakPolarHBondContact O-CB 3.12Å; F116-Y120 PolarHBondContact O-N 3.3Å
117M80.3Confident69.9Low1 Ų155.6 Ų55.61%0.00530%0.299CS..Hα-helixtrans-60.9-41.5178-66.7-179.778.900111.5I43 E54 I56 W80 I113 R114 L121 P122I43-M117 HydrophobicContact CG2-SD 3.96Å; E54-M117 WeakPolarHBondContact O-CE 3.38Å; I56-M117 HydrophobicContact CB-SD 4.47Å; I56-M117 HydrophobicContact CD1-CE 4.42Å; I56-M117 HydrophobicContact CD1-CG 3.78Å; I56-M117 HydrophobicContact CD1-SD 3.9Å; I56-M117 HydrophobicContact CG1-CE 4.25Å; I56-M117 HydrophobicContact CG1-SD 4.06Å; W80-M117 HydrophobicContact CH2-CE 4.45Å; W80-M117 HydrophobicContact CZ2-CE 4.43Å; I113-M117 HydrophobicContact CG2-CG 4.01Å; I113-M117 HydrophobicContact CG2-SD 3.76Å; I113-M117 VanDerWaalsContact O-CG 3.26Å; I113-M117 WeakPolarHBondContact O-CG 3.41Å; I113-M117 PolarHBondContact O-N 3.2Å; R114-M117 PolarHBondContact O-N 3.37Å; M117-L121 HydrophobicContact CB-CD1 3.67Å; M117-L121 HydrophobicContact CE-CD1 4.08Å; M117-L121 HydrophobicContact CG-CD1 3.74Å; M117-L121 WeakPolarHBondContact O-CB 3.41Å; M117-P122 WeakPolarHBondContact O-CD 3.44Å
118C71.5Confident67Low69 Ų6957 Ų5747%0.46631%0.312SS..Hα-helixtrans-68.6-34.5176.7-70.70000113.7R114 S115 F116 P122R114-C118 PolarHBondContact O-N 3.01Å; R114-C118 PolarHBondContact O-SG 2.83Å; R114-C118 VanDerWaalsContact O-SG 3.35Å; S115-C118 PolarHBondContact O-N 3.21Å; F116-C118 VanDerWaalsContact C-N 3.33Å; F116-C118 PolarHBondContact O-N 3.31Å; C118-P122 WeakPolarHBondContact O-CD 3.35Å; C118-P122 WeakPolarHBondContact O-CG 3.25Å
119N67.5Low64.4Low95 Ų9560.2 Ų60.251%0.50834%0.335SS..Hα-helixtrans-93-34.2-172-70.2-23.5000113.9S115 F116 S123S115-N119 WeakPolarHBondContact O-CB 3.49Å; S115-N119 VanDerWaalsContact O-CG 3.29Å; S115-N119 PolarHBondContact O-N 2.76Å; S115-N119 PolarHBondContact O-ND2 3.17Å; S115-N119 PolarHBondContact OG-ND2 3.15Å; F116-N119 PolarHBondContact O-N 2.94Å; N119-S123 PolarHBondContact O-OG 2.8Å
120Y66.9Low61.7Low103 Ų10367.3 Ų67.340%0.40437%0.372SS..Hα-helixtrans-107.6-28.8-169.3-71.7-89.1000114.1F116 S124F116-Y120 AromaticContact CD2-CD2 3.38Å; F116-Y120 HydrophobicContact CD2-CD2 3.38Å; F116-Y120 AromaticContact CD2-CE2 3.75Å; F116-Y120 HydrophobicContact CD2-CE2 3.75Å; F116-Y120 HydrophobicContact CD2-CG 4.02Å; F116-Y120 HydrophobicContact CE2-CD1 4.31Å; F116-Y120 AromaticContact CE2-CD2 3.57Å; F116-Y120 HydrophobicContact CE2-CD2 3.57Å; F116-Y120 AromaticContact CE2-CE2 3.97Å; F116-Y120 HydrophobicContact CE2-CE2 3.97Å; F116-Y120 AromaticContact CE2-CG 3.76Å; F116-Y120 HydrophobicContact CE2-CG 3.76Å; F116-Y120 AromaticContact CG-CD2 3.96Å; F116-Y120 HydrophobicContact CG-CD2 3.96Å; F116-Y120 HydrophobicContact CZ-CD2 4.29Å; F116-Y120 HydrophobicContact CZ-CG 4.1Å; F116-Y120 WeakPolarHBondContact O-CB 3.12Å; F116-Y120 PolarHBondContact O-N 3.3Å; Y120-S124 PolarHBondContact O-OG 3.05Å
121L65.9Low59Low26 Ų2675.7 Ų75.714%0.13641%0.41CS..SBendtrans-75.2-41.9-178.2-61.3172.9000113.7W80 L81 M117 S123 S124W80-L121 HydrophobicContact CH2-CD1 3.54Å; W80-L121 HydrophobicContact CH2-CD2 3.85Å; W80-L121 HydrophobicContact CH2-CG 4.35Å; W80-L121 HydrophobicContact CZ3-CD1 3.96Å; W80-L121 HydrophobicContact CZ3-CD2 3.48Å; W80-L121 VanDerWaalsContact CZ3-CD2 3.48Å; W80-L121 HydrophobicContact CZ3-CG 4.37Å; L81-L121 HydrophobicContact CD2-CD2 4.01Å; M117-L121 HydrophobicContact CB-CD1 3.67Å; M117-L121 HydrophobicContact CE-CD1 4.08Å; M117-L121 HydrophobicContact CG-CD1 3.74Å; M117-L121 WeakPolarHBondContact O-CB 3.41Å; L121-S123 PolarHBondContact O-N 3.31Å; L121-S123 VanDerWaalsContact O-N 3.15Å; L121-S124 PolarHBondContact O-N 3.3Å; L121-S124 VanDerWaalsContact O-N 3.16Å
122P57Low56.5Low55 Ų5583.3 Ų83.336%0.35745%0.446SS..THydrogen-bonded Turntrans-62.4-26.1179.3-23.234.9000112.8M47 M117 C118M47-P122 HydrophobicContact CE-CG 4.24Å; M47-P122 HydrophobicContact SD-CB 4.38Å; M47-P122 HydrophobicContact SD-CG 3.82Å; M117-P122 WeakPolarHBondContact O-CD 3.44Å; C118-P122 WeakPolarHBondContact O-CD 3.35Å; C118-P122 WeakPolarHBondContact O-CG 3.25Å
123S46.5Very low54Low86 Ų8689.4 Ų89.460%0.60148%0.483SS*.THydrogen-bonded Turntrans-83.4-14.6-178.3-450000114N119 L121N119-S123 PolarHBondContact O-OG 2.8Å; L121-S123 PolarHBondContact O-N 3.31Å; L121-S123 VanDerWaalsContact O-N 3.15Å
124S46.8Very low51.6Low52 Ų5299.4 Ų99.436%0.36453%0.526SS..SBendtrans-86.9-14.2-170.7-64.80000113.7Y120 L121Y120-S124 PolarHBondContact O-OG 3.05Å; L121-S124 PolarHBondContact O-N 3.3Å; L121-S124 VanDerWaalsContact O-N 3.16Å
125T40.7Very low49.3Very low124 Ų124101.5 Ų101.576%0.76155%0.552SS**SBendtrans-92.2-12.9-172.7-18.70000114.1
126E38Very low47.3Very low166 Ų166106.4 Ų106.478%0.77658%0.583SS**SBendtrans-117.8-10.9-170.3-74.7-168.8158.900117.8
127N30Very low45.2Very low139 Ų139112.2 Ų112.274%0.74362%0.624SS**  trans-132.875-174.3-71.4-49.8000114.7
128L29Very low43.1Very low127 Ų127121.5 Ų121.567%0.66567%0.667SS**  trans-128.275.5160.8-83.1161.1000109.2
129T30Very low41.6Very low125 Ų125124 Ų12477%0.76769%0.685SS**  trans-125.999.5156.721.90000108.8H131T129-H131 PolarHBondContact O-N 3.16Å
130I32.4Very low40Very low149 Ų149125.9 Ų125.976%0.76470%0.7SS**  trans-79111.8171.8-63.1169.3000106.9
131H35Very low38.7Very low176 Ų176126.3 Ų126.382%0.81572%0.718SS**  trans-133.191.7160.5-89.1-74.1000110.2T129T129-H131 PolarHBondContact O-N 3.16Å
132E31.9Very low37.3Very low186 Ų186134 Ų13487%0.86975%0.753SS**  trans30.4122.6141.2-121173.8172.700121.2
133V31.4Very low36.3Very low135 Ų135138.4 Ų138.482%0.81877%0.774SS**  trans-74.8131.5173.4176.50000111.5
134K37.2Very low35.7Very low209 Ų209144 Ų14491%0.90979%0.79SS**  trans-133.4122.8150.8-104.3179179.8174.30109.9
135A36.9Very low35.1Very low83 Ų83150.6 Ų150.669%0.68681%0.812SS**  trans-94.5-177.817800000111.1
136P36.7Very low34.7Very low127 Ų127154.4 Ų154.483%0.82582%0.821SS**  -128167-84.635.7-18.6000112.6
137S36.8Very low34.4Very low123 Ų123151.3 Ų151.386%0.8682%0.818SS**  trans-147.7132.2165.748.50000112.6
138Q37.2Very low34.5Very low197 Ų197150.1 Ų150.192%0.92182%0.821SS**  trans-63.5141.4-174.2-65162.3-27.100113.8
139S39.8Very low34.9Very low120 Ų120148 Ų14884%0.83982%0.817SS**  trans-164.5135.5134.745.20000110.4
140V35Very low35.9Very low136 Ų136147.8 Ų147.882%0.82482%0.815SS**  trans-76.5129.4-177.7175.80000109.2
141S39.5Very low37.1Very low111 Ų111143.6 Ų143.678%0.77680%0.796SS**  trans-156.8114.3157.2-75.20000109.1N143S141-N143 PolarHBondContact O-N 2.86Å
142E34.9Very low39.1Very low187 Ų187138.3 Ų138.387%0.87478%0.779SS**  trans-58.1121.6173.2-67.1169.3152.300109.9
143N35.9Very low41.4Very low149 Ų149129.9 Ų129.980%0.79774%0.74SS**  trans-147.4112161.7-104.4-33.5000108.2S141 K145S141-N143 PolarHBondContact O-N 2.86Å; N143-K145 PolarHBondContact O-N 3.34Å
144H35.6Very low43.8Very low204 Ų204124.8 Ų124.894%0.94471%0.71SS**  trans-54.1101.9167.1-89.3-77.7000109.7
145K33Very low46.1Very low190 Ų190117 Ų11783%0.82668%0.682SS**  trans-117.1114.7157.7-88-178.9175.1179.40107N143 S147N143-K145 PolarHBondContact O-N 3.34Å; K145-S147 PolarHBondContact O-N 2.79Å
146Q32.6Very low48.4Very low203 Ų203113 Ų11395%0.94965%0.649SS**  trans-55.191.3164.4-79.2159.2-20.900107.9S148Q146-S148 PolarHBondContact O-N 2.95Å
147S31.2Very low50.7Low102 Ų102112.1 Ų112.171%0.71363%0.632SS**  trans-70.1118163.1-176.70000105.4K145 S149K145-S147 PolarHBondContact O-N 2.79Å; S147-S149 PolarHBondContact O-N 3.11Å
148S31.9Very low52.8Low114 Ų114108.3 Ų108.380%0.79761%0.605SS**  trans-63.673.6166.458.50000108.4Q146 V150Q146-S148 PolarHBondContact O-N 2.95Å; S148-V150 PolarHBondContact O-N 3.08Å
149S38.4Very low54.9Low83 Ų8399.5 Ų99.558%0.5856%0.564SS**  trans-66.9118.3170.5130.40000105.7S147 V151S147-S149 PolarHBondContact O-N 3.11Å; S149-V151 VanDerWaalsContact C-N 3.31Å; S149-V151 WeakPolarHBondContact O-CG2 3.04Å; S149-V151 PolarHBondContact O-N 2.67Å
150V50.1Low56.5Low120 Ų12096.5 Ų96.573%0.72754%0.538SS*.  trans-63.298.7171.2-177.40000105.8S148 S152 R201S148-V150 PolarHBondContact O-N 3.08Å; V150-S152 PolarHBondContact O-N 3.32Å; V150-R201 VanDerWaalsContact CG1-NH1 3.28Å
151V58.5Low58.5Low61 Ų6195.1 Ų95.137%0.3753%0.526SS..  trans-71.197.4-177179.50000108.3S149 F169 R201S149-V151 VanDerWaalsContact C-N 3.31Å; S149-V151 WeakPolarHBondContact O-CG2 3.04Å; S149-V151 PolarHBondContact O-N 2.67Å; V151-F169 HydrophobicContact CG1-CB 4.27Å; V151-F169 HydrophobicContact CG1-CD1 3.65Å; V151-F169 HydrophobicContact CG1-CD2 4.46Å; V151-F169 HydrophobicContact CG1-CE1 4.06Å; V151-F169 HydrophobicContact CG1-CG 3.88Å; V151-R201 VanDerWaalsContact C-NH1 3.33Å; V151-R201 WeakPolarHBondContact O-CD 3.44Å; V151-R201 PolarHBondContact O-NH1 3.07Å
152S77.2Confident59.9Low64 Ų6492.8 Ų92.845%0.44850%0.504SS..PPolyproline II helixtrans-68.9152.4173-167.30000110.7V150 P154 D235V150-S152 PolarHBondContact O-N 3.32Å; S152-P154 WeakPolarHBondContact O-CD 3.39Å; S152-D235 PolarHBondContact OG-OD2 2.91Å
153V79.6Confident60.9Low9 Ų988 Ų886%0.05549%0.492CS..PPolyproline II helixtrans-68.1124170.3179.90000107.6R201 V204 I208 W227V153-R201 HydrophobicContact CG2-CB 3.72Å; V153-R201 HydrophobicContact CG2-CG 4.02Å; V153-V204 HydrophobicContact CG1-CB 4.5Å; V153-V204 HydrophobicContact CG1-CG1 3.95Å; V153-V204 HydrophobicContact CG2-CB 4.17Å; V153-V204 HydrophobicContact CG2-CG1 4.17Å; V153-I208 HydrophobicContact CG1-CD1 3.64Å; V153-W227 HydrophobicContact CB-CZ2 4.13Å; V153-W227 HydrophobicContact CG2-CH2 4.4Å; V153-W227 HydrophobicContact CG2-CZ2 3.72Å
154P82.5Confident61.7Low28 Ų2885.4 Ų85.418%0.18248%0.483CS..PPolyproline II helixtrans-60.9154.1179.7-25.736.3000112.9S152 H159 F167 F169S152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-H159 PolarHBondContact O-CE1 2.86Å; P154-H159 PolarHBondContact O-ND1 3.46Å; P154-H159 VanDerWaalsContact O-ND1 3.12Å; P154-F167 HydrophobicContact CB-CE1 4.15Å; P154-F167 HydrophobicContact CB-CE2 4.2Å; P154-F167 HydrophobicContact CB-CZ 3.71Å; P154-F167 HydrophobicContact CG-CD1 4.02Å; P154-F167 HydrophobicContact CG-CD2 4.31Å; P154-F167 HydrophobicContact CG-CE1 3.6Å; P154-F167 HydrophobicContact CG-CE2 3.95Å; P154-F167 HydrophobicContact CG-CG 4.34Å; P154-F167 HydrophobicContact CG-CZ 3.55Å; P154-F169 HydrophobicContact CG-CE1 4.29Å
155S86.2Confident63.1Low46 Ų4682.2 Ų82.232%0.32247%0.469SS..PPolyproline II helixtrans-58.5161.2176.361.10000112.9K157 S158 H159 D237S155-K157 PolarHBondContact O-N 2.86Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-S158 VanDerWaalsContact O-N 3.1Å; S155-S158 PolarHBondContact OG-N 3.45Å; S155-S158 VanDerWaalsContact OG-N 3.15Å; S155-S158 PolarHBondContact OG-OG 3.32Å; S155-H159 PolarHBondContact O-N 3.48Å; S155-H159 PolarHBondContact O-ND1 3.25Å; S155-D237 VanDerWaalsContact CA-OD2 3.28Å; S155-D237 WeakPolarHBondContact CA-OD2 3.33Å; S155-D237 WeakPolarHBondContact CB-OD2 3.49Å
156V85.2Confident64.9Low0 Ų077 Ų770%045%0.449CS..Hα-helixtrans-54.2-44171.1170.90000110.2S158 H159 L160 L212 N223 L225 D237 D239 M263V156-S158 PolarHBondContact O-N 2.75Å; V156-H159 WeakPolarHBondContact O-CB 3.3Å; V156-H159 PolarHBondContact O-N 2.91Å; V156-L160 PolarHBondContact O-N 3.26Å; V156-L212 HydrophobicContact CG1-CD1 4.28Å; V156-L212 HydrophobicContact CG1-CD2 4.41Å; V156-N223 HydrophobicContact CG1-CB 3.78Å; V156-N223 WeakPolarHBondContact CG2-O 3.35Å; V156-L225 HydrophobicContact CG2-CB 4Å; V156-L225 HydrophobicContact CG2-CD2 4.33Å; V156-D237 HydrophobicContact CG2-CB 4.22Å; V156-D237 PolarHBondContact N-OD2 2.98Å; V156-D239 HydrophobicContact CB-CB 4.35Å; V156-D239 HydrophobicContact CG1-CB 4.33Å; V156-M263 HydrophobicContact CG2-CE 4.3Å
157K84.7Confident66.6Low108 Ų10868.8 Ų68.847%0.4741%0.41SS..Hα-helixtrans-60.2-42.8176.2-176.458-177.7149.40112.6S155 H159 L160 D161S155-K157 PolarHBondContact O-N 2.86Å; K157-H159 VanDerWaalsContact C-N 3.32Å; K157-H159 PolarHBondContact O-N 3.03Å; K157-L160 WeakPolarHBondContact O-CB 3.32Å; K157-L160 PolarHBondContact O-N 2.93Å; K157-D161 WeakPolarHBondContact CE-OD1 3.48Å; K157-D161 WeakPolarHBondContact CE-OD2 3.45Å; K157-D161 IonicContact NZ-OD1 4Å; K157-D161 PolarHBondContact NZ-OD1 3.43Å; K157-D161 IonicContact NZ-OD2 3.09Å; K157-D161 PolarHBondContact O-N 2.93Å
158S80.7Confident68.4Low42 Ų4269.2 Ų69.229%0.29441%0.411SS..Hα-helixtrans-62.5-38.8175.9-58.70000112.2S155 V156 D161 I162S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-S158 VanDerWaalsContact O-N 3.1Å; S155-S158 PolarHBondContact OG-N 3.45Å; S155-S158 VanDerWaalsContact OG-N 3.15Å; S155-S158 PolarHBondContact OG-OG 3.32Å; V156-S158 PolarHBondContact O-N 2.75Å; S158-D161 PolarHBondContact O-N 3.33Å; S158-I162 WeakPolarHBondContact O-CG1 3.28Å; S158-I162 PolarHBondContact O-N 2.84Å
159H80.7Confident70.5Confident13 Ų1366.9 Ų66.96%0.0639%0.386CS..Hα-helixtrans-66.4-37.6176-75.281.9000112.4P154 S155 V156 K157 F167 S205 I208 S209 L212P154-H159 PolarHBondContact O-CE1 2.86Å; P154-H159 PolarHBondContact O-ND1 3.46Å; P154-H159 VanDerWaalsContact O-ND1 3.12Å; S155-H159 PolarHBondContact O-N 3.48Å; S155-H159 PolarHBondContact O-ND1 3.25Å; V156-H159 WeakPolarHBondContact O-CB 3.3Å; V156-H159 PolarHBondContact O-N 2.91Å; K157-H159 VanDerWaalsContact C-N 3.32Å; K157-H159 PolarHBondContact O-N 3.03Å; H159-F167 AromaticContact CD2-CE2 3.57Å; H159-F167 AromaticContact CE1-CE2 3.87Å; H159-F167 AromaticContact CG-CE2 3.93Å; H159-F167 AromaticContact NE2-CD2 3.89Å; H159-F167 AromaticContact NE2-CE2 3.53Å; H159-S205 PolarHBondContact NE2-O 2.76Å; H159-S205 PolarHBondContact NE2-OG 2.85Å; H159-I208 HydrophobicContact CB-CG2 3.78Å; H159-I208 VanDerWaalsContact CG-CG2 3.46Å; H159-S209 PolarHBondContact CD2-OG 2.72Å; H159-L212 HydrophobicContact CB-CD1 3.63Å
160L74.3Confident72.4Confident57 Ų5763 Ų6330%0.29836%0.359SS..Hα-helixtrans-64.3-41173.2-74.6171.8000112.1V156 K157 I162 L212 A218V156-L160 PolarHBondContact O-N 3.26Å; K157-L160 WeakPolarHBondContact O-CB 3.32Å; K157-L160 PolarHBondContact O-N 2.93Å; L160-I162 VanDerWaalsContact C-N 3.34Å; L160-I162 PolarHBondContact O-N 3.01Å; L160-L212 HydrophobicContact CD2-CB 4.22Å; L160-L212 HydrophobicContact CD2-CD1 4.15Å; L160-L212 HydrophobicContact CD2-CD2 4.01Å; L160-L212 HydrophobicContact CD2-CG 4.35Å; L160-L212 HydrophobicContact CG-CD1 4.02Å; L160-L212 HydrophobicContact CG-CD2 4.38Å; L160-A218 HydrophobicContact CD2-CB 4.17Å
161D76.1Confident73.8Confident106 Ų10662.5 Ų62.557%0.56735%0.352SS*.Hα-helixtrans-73.5-24.5-175.4-65.6-18.6000112.8K157 S158K157-D161 WeakPolarHBondContact CE-OD1 3.48Å; K157-D161 WeakPolarHBondContact CE-OD2 3.45Å; K157-D161 IonicContact NZ-OD1 4Å; K157-D161 PolarHBondContact NZ-OD1 3.43Å; K157-D161 IonicContact NZ-OD2 3.09Å; K157-D161 PolarHBondContact O-N 2.93Å; S158-D161 PolarHBondContact O-N 3.33Å
162I69.6Low75.1Confident62 Ų6267.6 Ų67.632%0.31838%0.377SS..THydrogen-bonded Turntrans-947.2-178.4-68.3165000112.9S158 L160 Q165 F167S158-I162 WeakPolarHBondContact O-CG1 3.28Å; S158-I162 PolarHBondContact O-N 2.84Å; L160-I162 VanDerWaalsContact C-N 3.34Å; L160-I162 PolarHBondContact O-N 3.01Å; I162-Q165 HydrophobicContact CG2-CB 3.79Å; I162-Q165 PolarHBondContact O-N 3.37Å; I162-F167 HydrophobicContact CB-CZ 4.42Å; I162-F167 HydrophobicContact CD1-CD1 4.43Å; I162-F167 HydrophobicContact CD1-CE1 3.3Å; I162-F167 HydrophobicContact CD1-CZ 3.36Å; I162-F167 HydrophobicContact CG1-CZ 4.44Å; I162-F167 HydrophobicContact CG2-CZ 4.47Å
163S55.6Low75.5Confident88 Ų8866.1 Ų66.162%0.61537%0.366SS*.THydrogen-bonded Turntrans-11.8124171.5-172.40000116.4
164P53.1Low76Confident94 Ų9473.9 Ų73.961%0.6140%0.399SS*.THydrogen-bonded Turncis-94.546.9-41.638-28.6000110M213P164-M213 HydrophobicContact CB-CE 4.08Å
165Q64.3Low76.3Confident137 Ų13776 Ų7664%0.6441%0.412SS*.PPolyproline II helixtrans-78.6133.6-174.4-57178.728.300110.6I162I162-Q165 HydrophobicContact CG2-CB 3.79Å; I162-Q165 PolarHBondContact O-N 3.37Å
166I69.9Low76.7Confident81 Ų8174.5 Ų74.542%0.41540%0.401SS..PPolyproline II helixtrans-74.9129.8172.4-56.5173.1000107.8A170 L171 L206I166-A170 HydrophobicContact CG2-CB 3.75Å; I166-L171 HydrophobicContact CB-CD1 4.12Å; I166-L171 HydrophobicContact CG2-CD1 3.86Å; I166-L206 HydrophobicContact CD1-CD2 4.03Å; I166-L206 HydrophobicContact CG1-CD2 4.12Å; I166-L206 HydrophobicContact CG2-CD2 3.68Å
167F68.3Low77.2Confident29 Ų2981 Ų8113%0.12743%0.431CS..PPolyproline II helixtrans-60.9143.1176.1-70.9-88.2000111.3P154 H159 I162 F169 A170 L171 S205P154-F167 HydrophobicContact CB-CE1 4.15Å; P154-F167 HydrophobicContact CB-CE2 4.2Å; P154-F167 HydrophobicContact CB-CZ 3.71Å; P154-F167 HydrophobicContact CG-CD1 4.02Å; P154-F167 HydrophobicContact CG-CD2 4.31Å; P154-F167 HydrophobicContact CG-CE1 3.6Å; P154-F167 HydrophobicContact CG-CE2 3.95Å; P154-F167 HydrophobicContact CG-CG 4.34Å; P154-F167 HydrophobicContact CG-CZ 3.55Å; H159-F167 AromaticContact CD2-CE2 3.57Å; H159-F167 AromaticContact CE1-CE2 3.87Å; H159-F167 AromaticContact CG-CE2 3.93Å; H159-F167 AromaticContact NE2-CD2 3.89Å; H159-F167 AromaticContact NE2-CE2 3.53Å; I162-F167 HydrophobicContact CB-CZ 4.42Å; I162-F167 HydrophobicContact CD1-CD1 4.43Å; I162-F167 HydrophobicContact CD1-CE1 3.3Å; I162-F167 HydrophobicContact CD1-CZ 3.36Å; I162-F167 HydrophobicContact CG1-CZ 4.44Å; I162-F167 HydrophobicContact CG2-CZ 4.47Å; F167-F169 HydrophobicContact CB-CD1 3.63Å; F167-F169 HydrophobicContact CB-CE1 3.34Å; F167-F169 HydrophobicContact CB-CZ 4.04Å; F167-F169 HydrophobicContact CD1-CE1 4.25Å; F167-F169 HydrophobicContact CD2-CE1 4.45Å; F167-F169 HydrophobicContact CG-CD1 4.47Å; F167-F169 AromaticContact CG-CE1 3.79Å; F167-F169 HydrophobicContact CG-CE1 3.79Å; F167-F169 HydrophobicContact CG-CZ 4.43Å; F167-F169 PolarHBondContact O-N 2.88Å; F167-A170 WeakPolarHBondContact O-CB 3.45Å; F167-A170 PolarHBondContact O-N 3.48Å; F167-L171 VanDerWaalsContact O-CD1 3.24Å; F167-L171 WeakPolarHBondContact O-CD1 3.09Å; F167-S205 WeakPolarHBondContact CD2-OG 3.14Å
168P68.8Low77.8Confident112 Ų11277.3 Ų77.373%0.72742%0.416SS*.G310 helixtrans-48.8-37.3-177.6-32.336.8000114.9A170P168-A170 VanDerWaalsContact C-N 3.26Å; P168-A170 PolarHBondContact O-N 3.3Å
169F77.7Confident78.6Confident65 Ų6578.1 Ų78.129%0.28541%0.413SS..G310 helixtrans-72.4-17.1-179.472.4-95.9000113.9V151 P154 F167 R201V151-F169 HydrophobicContact CG1-CB 4.27Å; V151-F169 HydrophobicContact CG1-CD1 3.65Å; V151-F169 HydrophobicContact CG1-CD2 4.46Å; V151-F169 HydrophobicContact CG1-CE1 4.06Å; V151-F169 HydrophobicContact CG1-CG 3.88Å; P154-F169 HydrophobicContact CG-CE1 4.29Å; F167-F169 HydrophobicContact CB-CD1 3.63Å; F167-F169 HydrophobicContact CB-CE1 3.34Å; F167-F169 HydrophobicContact CB-CZ 4.04Å; F167-F169 HydrophobicContact CD1-CE1 4.25Å; F167-F169 HydrophobicContact CD2-CE1 4.45Å; F167-F169 HydrophobicContact CG-CD1 4.47Å; F167-F169 AromaticContact CG-CE1 3.79Å; F167-F169 HydrophobicContact CG-CE1 3.79Å; F167-F169 HydrophobicContact CG-CZ 4.43Å; F167-F169 PolarHBondContact O-N 2.88Å; F169-R201 HydrophobicContact CE2-CB 4.21Å
170A78.5Confident79.4Confident0 Ų082.4 Ų82.40%043%0.433CS..G310 helixtrans-99.7-6.3-177.100000113.4I166 F167 P168 N172 S173 L206I166-A170 HydrophobicContact CG2-CB 3.75Å; F167-A170 WeakPolarHBondContact O-CB 3.45Å; F167-A170 PolarHBondContact O-N 3.48Å; P168-A170 VanDerWaalsContact C-N 3.26Å; P168-A170 PolarHBondContact O-N 3.3Å; A170-N172 PolarHBondContact O-N 2.91Å; A170-S173 WeakPolarHBondContact O-CB 3.35Å; A170-S173 PolarHBondContact O-N 2.89Å; A170-L206 HydrophobicContact CB-CG 4.28Å
171L77.7Confident80.5Confident111 Ų11180 Ų8058%0.58142%0.423SS*.THydrogen-bonded Turntrans-57.8-32.6-177.8-95.964.3000113.9I166 F167I166-L171 HydrophobicContact CB-CD1 4.12Å; I166-L171 HydrophobicContact CG2-CD1 3.86Å; F167-L171 VanDerWaalsContact O-CD1 3.24Å; F167-L171 WeakPolarHBondContact O-CD1 3.09Å
172N86Confident81.5Confident168 Ų16882.8 Ų82.890%0.89843%0.432SS*.THydrogen-bonded Turntrans-92.70.5-178.7-64.3-28.4000113.1A170A170-N172 PolarHBondContact O-N 2.91Å
173S87.1Confident82.8Confident33 Ų3383 Ų8323%0.23144%0.439CS..SBendtrans-86.6152178.1-68.40000111A170 G202 E203 L206A170-S173 WeakPolarHBondContact O-CB 3.35Å; A170-S173 PolarHBondContact O-N 2.89Å; S173-G202 VanDerWaalsContact OG-CA 3.27Å; S173-G202 WeakPolarHBondContact OG-CA 3.3Å; S173-E203 PolarHBondContact OG-N 2.7Å; S173-L206 VanDerWaalsContact O-CD1 3.29Å; S173-L206 WeakPolarHBondContact O-CD1 3.47Å
174K90Very high84.7Confident171 Ų17181.4 Ų81.474%0.74342%0.423SS*.PPolyproline II helixtrans-88.5136.7172.9-174.1-179.5175.1-173.90109P176K174-P176 WeakPolarHBondContact O-CD 3.32Å
175V88.7Confident86.8Confident74 Ų7482.7 Ų82.745%0.44843%0.425SS..PPolyproline II helixtrans-61.5121.8172.5-178.80000108.3L206 T210V175-L206 HydrophobicContact CG2-CB 4.4Å; V175-L206 HydrophobicContact CG2-CD1 4.06Å; V175-L206 HydrophobicContact CG2-CD2 4.4Å; V175-T210 HydrophobicContact CG1-CG2 4.36Å
176P92.8Very high88.3Confident14 Ų1478 Ų789%0.09140%0.404CS..PPolyproline II helixtrans-73.5155.5-178.532.3-36000110.7K174 I178 A196 R197 F207K174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-I178 PolarHBondContact O-N 2.8Å; P176-A196 HydrophobicContact CB-CB 3.99Å; P176-A196 HydrophobicContact CG-CB 3.95Å; P176-R197 WeakPolarHBondContact CB-O 3.43Å; P176-F207 HydrophobicContact CG-CB 3.92Å
177E96.5Very high89.4Confident135 Ų13578.4 Ų78.463%0.63140%0.4SS*.PPolyproline II helixtrans-68.5125.6171.8-172.6178.4-16500109.1Y179 A196E177-Y179 VanDerWaalsContact CD-OH 3.29Å; E177-Y179 HydrophobicContact CG-CE1 3.88Å; E177-Y179 PolarHBondContact OE2-OH 2.87Å; E177-A196 WeakPolarHBondContact O-CB 3.32Å
178I97.3Very high90.6Very high31 Ų3184.4 Ų84.416%0.15943%0.426CS..EExtended strand (participates in β ladder)trans-102.4125.4-176.4-53.6-173.1000108.9P176 H180 H194 A196 F207 T210 L211P176-I178 PolarHBondContact O-N 2.8Å; I178-H180 VanDerWaalsContact CG2-CE1 3.49Å; I178-H180 WeakPolarHBondContact CG2-CE1 3.39Å; I178-H194 HydrophobicContact CG2-CB 4.46Å; I178-A196 HydrophobicContact CG1-CB 4.42Å; I178-F207 HydrophobicContact CD1-CD2 3.95Å; I178-F207 HydrophobicContact CG1-CD2 4.03Å; I178-F207 HydrophobicContact CG2-CD2 4.44Å; I178-F207 HydrophobicContact CG2-CE2 4.09Å; I178-T210 HydrophobicContact CD1-CG2 3.71Å; I178-L211 HydrophobicContact CD1-CD2 4.41Å; I178-L211 HydrophobicContact CD1-CG 4.13Å; I178-L211 HydrophobicContact CG2-CD2 3.91Å; I178-L211 HydrophobicContact CG2-CG 4.42Å
179Y98Very high91.9Very high59 Ų5979 Ų7923%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-101.7141.7172.8-52.9-66.6000109.8E177 H194 C195 H292 F294E177-Y179 VanDerWaalsContact CD-OH 3.29Å; E177-Y179 HydrophobicContact CG-CE1 3.88Å; E177-Y179 PolarHBondContact OE2-OH 2.87Å; Y179-H194 CarbonylContact O-C 3.54Å; Y179-H194 VanDerWaalsContact O-CA 3.26Å; Y179-H194 WeakPolarHBondContact O-CA 3.48Å; Y179-C195 PolarHBondContact N-O 2.87Å; Y179-C195 PolarHBondContact O-N 3.49Å; Y179-H292 WeakPolarHBondContact CB-NE2 3.46Å; Y179-H292 AromaticContact CD1-CE1 3.27Å; Y179-H292 WeakPolarHBondContact CD1-CE1 3.18Å; Y179-H292 AromaticContact CD1-CG 3.9Å; Y179-H292 AromaticContact CD1-ND1 3.26Å; Y179-H292 VanDerWaalsContact CD1-ND1 3.26Å; Y179-H292 WeakPolarHBondContact CD1-ND1 3.43Å; Y179-H292 AromaticContact CD1-NE2 3.89Å; Y179-H292 HydrophobicContact CD2-CB 4.05Å; Y179-H292 AromaticContact CD2-CG 3.8Å; Y179-H292 AromaticContact CD2-ND1 3.94Å; Y179-H292 AromaticContact CE1-CE1 3.98Å; Y179-H292 AromaticContact CE1-ND1 3.64Å; Y179-H292 HydrophobicContact CE2-CB 4.34Å; Y179-H292 HydrophobicContact CG-CB 4.31Å; Y179-H292 AromaticContact CG-CD2 3.76Å; Y179-H292 AromaticContact CG-CE1 3.58Å; Y179-H292 AromaticContact CG-CG 3.55Å; Y179-H292 AromaticContact CG-ND1 3.43Å; Y179-H292 AromaticContact CG-NE2 3.77Å; Y179-F294 HydrophobicContact CD2-CE2 4.07Å; Y179-F294 HydrophobicContact CE2-CE2 4.06Å; Y179-F294 HydrophobicContact CE2-CZ 4.36Å
180H97.8Very high92.8Very high103 Ų10378.9 Ų78.948%0.47739%0.393SS..EExtended strand (participates in β ladder)trans-121130.7-178.5-50.2-75.5000109.4I178 H194I178-H180 VanDerWaalsContact CG2-CE1 3.49Å; I178-H180 WeakPolarHBondContact CG2-CE1 3.39Å; H180-H194 AromaticContact CG-ND1 3.68Å; H180-H194 AromaticContact ND1-CE1 3.54Å; H180-H194 AromaticContact ND1-CG 3.75Å; H180-H194 AromaticContact ND1-ND1 2.91Å; H180-H194 PolarHBondContact ND1-ND1 2.69Å
181G96.9Very high93.7Very high8 Ų878.9 Ų78.98%0.08239%0.393CS..PPolyproline II helixtrans-85.4165.1177.600000113.2Q192 A193G181-Q192 WeakPolarHBondContact O-CG 3.22Å; G181-Q192 PolarHBondContact O-NE2 2.94Å; G181-A193 PolarHBondContact N-O 3Å
182E96.4Very high94.7Very high164 Ų16474.9 Ų74.977%0.76637%0.371SS*.PPolyproline II helixtrans-57.9141.9167.9-71.6-62.5142.500110.9
183S96.5Very high95.3Very high67 Ų6766.9 Ų66.947%0.46933%0.329SS..PPolyproline II helixtrans-80.2132.2178.160.40000111.2F191S183-F191 CarbonylContact C-O 3.57Å; S183-F191 WeakPolarHBondContact CA-O 3.5Å
184L97Very high95.9Very high53 Ų5365.4 Ų65.428%0.27732%0.318SS..EExtended strand (participates in β ladder)trans-98.5128.6172.7-179.867.5000110.3I190 F191 H280 V284L184-I190 CarbonylContact O-C 3.55Å; L184-I190 WeakPolarHBondContact O-CA 3.47Å; L184-F191 HydrophobicContact CB-CB 4.39Å; L184-F191 PolarHBondContact N-O 3.42Å; L184-F191 PolarHBondContact O-N 3.48Å; L184-H280 HydrophobicContact CD2-CB 3.77Å; L184-H280 WeakPolarHBondContact CD2-ND1 3.43Å; L184-V284 HydrophobicContact CB-CG1 3.59Å; L184-V284 HydrophobicContact CD2-CG1 3.93Å; L184-V284 HydrophobicContact CG-CG1 4.44Å
185L97.1Very high96.2Very high121 Ų12157.3 Ų57.363%0.63428%0.283SS*.EExtended strand (participates in β ladder)trans-108.3123.9176.3179.773.2000110.3S189 I190L185-S189 WeakPolarHBondContact CA-O 3.44Å; L185-I190 HydrophobicContact CD1-CD1 4.46Å; L185-I190 HydrophobicContact CD1-CG1 3.66Å
186D94.8Very high96.7Very high40 Ų4053.8 Ų53.821%0.21426%0.261CS..EExtended strand (participates in β ladder)trans-141.2128.6169.1177.826.2000110.3K188 S189 L273 H280D186-K188 PolarHBondContact O-N 3.49Å; D186-K188 VanDerWaalsContact O-N 3.1Å; D186-S189 PolarHBondContact N-O 2.97Å; D186-S189 WeakPolarHBondContact O-CA 3.1Å; D186-S189 WeakPolarHBondContact O-CB 3.29Å; D186-S189 PolarHBondContact O-N 3.15Å; D186-L273 HydrophobicContact CB-CD2 4.49Å; D186-H280 WeakPolarHBondContact CB-NE2 3.1Å; D186-H280 IonicContact OD2-CD2 2.89Å; D186-H280 IonicContact OD2-CE1 3.56Å; D186-H280 IonicContact OD2-NE2 2.74Å; D186-H280 PolarHBondContact OD2-NE2 3.19Å
187R94.2Very high96.9Very high89 Ų8959 Ų5934%0.33628%0.279SS..THydrogen-bonded Turntrans44.647.7178.5-72.6168.4-74.5-174.5-6.8112.6S189 I271 L273 D276R187-S189 PolarHBondContact O-N 3.23Å; R187-I271 HydrophobicContact CB-CB 4.12Å; R187-I271 HydrophobicContact CB-CD1 4.09Å; R187-I271 HydrophobicContact CB-CG2 4.05Å; R187-I271 HydrophobicContact CG-CG2 4.39Å; R187-L273 HydrophobicContact CB-CD1 3.96Å; R187-D276 IonicContact CZ-OD2 3.59Å; R187-D276 IonicContact NH1-OD2 2.64Å; R187-D276 IonicContact NH2-OD2 2.9Å; R187-D276 PolarHBondContact NH2-OD2 2.98Å
188K93.8Very high96.9Very high154 Ų15452.5 Ų52.567%0.6725%0.249SC*.THydrogen-bonded Turntrans65.1-6.3-176.2-56177.3178.5179.10115.8D186 G269D186-K188 PolarHBondContact O-N 3.49Å; D186-K188 VanDerWaalsContact O-N 3.1Å; K188-G269 WeakPolarHBondContact CB-O 3.29Å; K188-G269 WeakPolarHBondContact O-CA 3.33Å
189S94.5Very high96.7Very high0 Ų053.7 Ų53.70%026%0.26CS..EExtended strand (participates in β ladder)trans-78.6135.6170.6-600000109.1L185 D186 R187 W267 G269 L273L185-S189 WeakPolarHBondContact CA-O 3.44Å; D186-S189 PolarHBondContact N-O 2.97Å; D186-S189 WeakPolarHBondContact O-CA 3.1Å; D186-S189 WeakPolarHBondContact O-CB 3.29Å; D186-S189 PolarHBondContact O-N 3.15Å; R187-S189 PolarHBondContact O-N 3.23Å; S189-W267 CarbonylContact C-O 3.55Å; S189-W267 WeakPolarHBondContact CA-O 3.31Å; S189-G269 PolarHBondContact OG-N 3.14Å; S189-G269 VanDerWaalsContact OG-N 3.16Å; S189-L273 WeakPolarHBondContact OG-CD1 3.42Å
190I97.4Very high96.5Very high61 Ų6153.6 Ų53.631%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-111.2137.5177.8-59.4168.9000108L184 L185 R266 W267L184-I190 CarbonylContact O-C 3.55Å; L184-I190 WeakPolarHBondContact O-CA 3.47Å; L185-I190 HydrophobicContact CD1-CD1 4.46Å; L185-I190 HydrophobicContact CD1-CG1 3.66Å; I190-R266 CarbonylContact O-C 3.56Å; I190-R266 VanDerWaalsContact O-CA 3.3Å; I190-R266 WeakPolarHBondContact O-CA 3.37Å; I190-W267 HydrophobicContact CB-CB 4.38Å; I190-W267 HydrophobicContact CB-CE3 3.88Å; I190-W267 HydrophobicContact CG2-CE3 3.78Å; I190-W267 HydrophobicContact CG2-CZ3 4.09Å; I190-W267 PolarHBondContact N-O 3.37Å; I190-W267 PolarHBondContact O-N 2.9Å
191F98.1Very high96.3Very high0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.9131.8175.3-58.2-98.6000108.9S183 L184 S265 R266 L273 R277 H280 I281 V284S183-F191 CarbonylContact C-O 3.57Å; S183-F191 WeakPolarHBondContact CA-O 3.5Å; L184-F191 HydrophobicContact CB-CB 4.39Å; L184-F191 PolarHBondContact N-O 3.42Å; L184-F191 PolarHBondContact O-N 3.48Å; F191-S265 CarbonylContact C-O 3.56Å; F191-S265 WeakPolarHBondContact CA-O 3.39Å; F191-R266 HydrophobicContact CD1-CB 4.12Å; F191-R266 HydrophobicContact CD1-CG 3.78Å; F191-R266 HydrophobicContact CE1-CB 4.21Å; F191-R266 VanDerWaalsContact CE1-CD 3.44Å; F191-R266 HydrophobicContact CE1-CG 3.49Å; F191-R266 VanDerWaalsContact CE1-CG 3.49Å; F191-R266 HydrophobicContact CG-CG 4.49Å; F191-R266 HydrophobicContact CZ-CG 3.96Å; F191-L273 HydrophobicContact CE2-CD2 3.6Å; F191-L273 HydrophobicContact CZ-CD2 3.51Å; F191-R277 HydrophobicContact CE1-CB 4.29Å; F191-R277 HydrophobicContact CZ-CB 4.13Å; F191-H280 HydrophobicContact CD1-CB 4.04Å; F191-H280 HydrophobicContact CD2-CB 3.84Å; F191-H280 HydrophobicContact CE1-CB 4.03Å; F191-H280 HydrophobicContact CE2-CB 3.86Å; F191-H280 AromaticContact CE2-CD2 3.65Å; F191-H280 HydrophobicContact CG-CB 3.94Å; F191-H280 HydrophobicContact CZ-CB 3.94Å; F191-H280 AromaticContact CZ-CD2 3.99Å; F191-I281 HydrophobicContact CD1-CG1 3.82Å; F191-I281 HydrophobicContact CE1-CD1 4.31Å; F191-I281 HydrophobicContact CE1-CG1 3.85Å; F191-V284 HydrophobicContact CB-CG1 4.27Å; F191-V284 HydrophobicContact CB-CG2 4.28Å
192Q98.4Very high96Very high28 Ų2851.6 Ų51.613%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-137.7126.5174.5-169.9172.718.200109.6G181 V264 S265 W267G181-Q192 WeakPolarHBondContact O-CG 3.22Å; G181-Q192 PolarHBondContact O-NE2 2.94Å; Q192-V264 WeakPolarHBondContact O-CA 3.37Å; Q192-S265 PolarHBondContact N-O 2.98Å; Q192-S265 PolarHBondContact O-N 2.89Å; Q192-W267 HydrophobicContact CB-CH2 4.11Å; Q192-W267 HydrophobicContact CB-CZ3 3.79Å
193A98.4Very high96Very high0 Ų045.9 Ų45.90%023%0.226CC..EExtended strand (participates in β ladder)trans-87.7149.2173.700000111.3G181 M263 V264 V284 L288G181-A193 PolarHBondContact N-O 3Å; A193-M263 CarbonylContact C-O 3.6Å; A193-M263 WeakPolarHBondContact CA-O 3.47Å; A193-V264 HydrophobicContact CB-CG2 4.28Å; A193-V284 HydrophobicContact CB-CB 4.13Å; A193-V284 HydrophobicContact CB-CG2 3.97Å; A193-V284 WeakPolarHBondContact CB-O 3.49Å; A193-L288 HydrophobicContact CB-CB 4.23Å; A193-L288 HydrophobicContact CB-CD2 3.79Å
194H98.4Very high95.9Very high2 Ų242.7 Ų42.71%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-134.3137.3169.5-50.9-56.8000107.8I178 Y179 H180 F207 L211 V262 M263 S265I178-H194 HydrophobicContact CG2-CB 4.46Å; Y179-H194 CarbonylContact O-C 3.54Å; Y179-H194 VanDerWaalsContact O-CA 3.26Å; Y179-H194 WeakPolarHBondContact O-CA 3.48Å; H180-H194 AromaticContact CG-ND1 3.68Å; H180-H194 AromaticContact ND1-CE1 3.54Å; H180-H194 AromaticContact ND1-CG 3.75Å; H180-H194 AromaticContact ND1-ND1 2.91Å; H180-H194 PolarHBondContact ND1-ND1 2.69Å; H194-F207 HydrophobicContact CB-CE2 4.5Å; H194-F207 HydrophobicContact CB-CZ 4.41Å; H194-L211 HydrophobicContact CB-CD1 3.7Å; H194-L211 HydrophobicContact CB-CD2 3.85Å; H194-L211 HydrophobicContact CB-CG 4.45Å; H194-V262 CarbonylContact O-C 3.58Å; H194-V262 VanDerWaalsContact O-CA 3.32Å; H194-V262 WeakPolarHBondContact O-CA 3.35Å; H194-M263 PolarHBondContact N-O 2.86Å; H194-M263 PolarHBondContact O-N 3.14Å; H194-S265 PolarHBondContact CD2-OG 2.84Å; H194-S265 PolarHBondContact NE2-OG 3.1Å
195C98.1Very high95.6Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-139158175.574.20000111.6Y179 A261 V262 L288 L289Y179-C195 PolarHBondContact N-O 2.87Å; Y179-C195 PolarHBondContact O-N 3.49Å; C195-A261 CarbonylContact C-O 3.41Å; C195-A261 WeakPolarHBondContact CA-O 3.5Å; C195-V262 HydrophobicContact CB-CG2 3.97Å; C195-L288 HydrophobicContact CB-CD2 3.99Å; C195-L289 HydrophobicContact CB-CD2 4.33Å
196A97.8Very high95.3Very high0 Ų034.7 Ų34.70%016%0.162CC..EExtended strand (participates in β ladder)trans-149.9152.5175.200000110.6P176 E177 I178 A198 F207 V260 A261P176-A196 HydrophobicContact CB-CB 3.99Å; P176-A196 HydrophobicContact CG-CB 3.95Å; E177-A196 WeakPolarHBondContact O-CB 3.32Å; I178-A196 HydrophobicContact CG1-CB 4.42Å; A196-A198 PolarHBondContact O-N 3.34Å; A196-F207 HydrophobicContact CB-CD2 3.38Å; A196-F207 HydrophobicContact CB-CE2 3.73Å; A196-F207 HydrophobicContact CB-CG 4.17Å; A196-V260 WeakPolarHBondContact O-CA 3.4Å; A196-A261 PolarHBondContact N-O 2.93Å; A196-A261 PolarHBondContact O-N 3.04Å
197R97Very high95.3Very high123 Ų12332.8 Ų32.846%0.46415%0.152SC..EExtended strand (participates in β ladder)trans-71.5123.2167-167.885.9178.9125.3-1.1108.1P176 E258 N259 F294P176-R197 WeakPolarHBondContact CB-O 3.43Å; R197-E258 PolarHBondContact NH1-O 3.14Å; R197-N259 VanDerWaalsContact NH1-CB 3.33Å; R197-N259 PolarHBondContact NH1-O 2.92Å; R197-F294 HydrophobicContact CB-CE1 4.22Å; R197-F294 HydrophobicContact CB-CZ 4.15Å
198A96.1Very high95.3Very high0 Ų028.5 Ų28.50%014%0.136CC..  trans-145.1113.2-179.500000110.6A196 E203 V204 N259 V260 A261A196-A198 PolarHBondContact O-N 3.34Å; A198-E203 HydrophobicContact CB-CB 4.03Å; A198-V204 HydrophobicContact CB-CG2 3.77Å; A198-N259 PolarHBondContact N-O 3.04Å; A198-N259 CarbonylContact O-C 3.52Å; A198-N259 WeakPolarHBondContact O-CA 3.4Å; A198-N259 WeakPolarHBondContact O-CB 3.28Å; A198-V260 PolarHBondContact O-N 3.39Å; A198-A261 HydrophobicContact CB-CB 4.15Å
199S94.4Very high95.1Very high55 Ų5521.9 Ų21.939%0.38511%0.109SC..  trans-104.3-3.8-177.6-52.60000113E203 I229 N259S199-E203 WeakPolarHBondContact CA-OE2 3.48Å; S199-E203 PolarHBondContact N-OE2 3.48Å; S199-I229 VanDerWaalsContact O-CG2 3.24Å; S199-I229 WeakPolarHBondContact O-CG2 3.47Å; S199-N259 WeakPolarHBondContact CA-OD1 3.43Å; S199-N259 WeakPolarHBondContact CB-OD1 3.47Å; S199-N259 WeakPolarHBondContact OG-CB 3.45Å; S199-N259 PolarHBondContact OG-OD1 2.88Å
200T94.2Very high94.9Very high58 Ų5824.2 Ų24.236%0.35612%0.123SC..SBendtrans-138.1153.6178.466.90000111.3G202 E203 V204T200-G202 PolarHBondContact O-N 3.02Å; T200-E203 PolarHBondContact N-OE2 3.27Å; T200-E203 VanDerWaalsContact N-OE2 3.16Å; T200-E203 WeakPolarHBondContact O-CB 3.48Å; T200-E203 PolarHBondContact O-N 2.87Å; T200-E203 VanDerWaalsContact O-N 3.08Å; T200-E203 VanDerWaalsContact OG1-CG 3.27Å; T200-E203 WeakPolarHBondContact OG1-CG 3.23Å; T200-E203 PolarHBondContact OG1-N 2.94Å; T200-E203 PolarHBondContact OG1-OE2 3.39Å; T200-V204 WeakPolarHBondContact O-CG2 3.24Å; T200-V204 PolarHBondContact O-N 3.07Å
201R93.1Very high94.7Very high65 Ų6521.6 Ų21.625%0.24511%0.109CC..Hα-helixtrans-56.2-36.3174.9-63-173.4-167.6176.31112.4V150 V151 V153 F169 V204 S205 I229 E233V150-R201 VanDerWaalsContact CG1-NH1 3.28Å; V151-R201 VanDerWaalsContact C-NH1 3.33Å; V151-R201 WeakPolarHBondContact O-CD 3.44Å; V151-R201 PolarHBondContact O-NH1 3.07Å; V153-R201 HydrophobicContact CG2-CB 3.72Å; V153-R201 HydrophobicContact CG2-CG 4.02Å; F169-R201 HydrophobicContact CE2-CB 4.21Å; R201-V204 PolarHBondContact O-N 3Å; R201-S205 PolarHBondContact O-N 2.63Å; R201-I229 HydrophobicContact CG-CD1 4.07Å; R201-E233 WeakPolarHBondContact CG-OE1 3.49Å; R201-E233 IonicContact CZ-OE1 3.84Å; R201-E233 IonicContact NE-OE1 2.75Å; R201-E233 PolarHBondContact NE-OE1 2.87Å; R201-E233 IonicContact NH2-OE1 3.24Å; R201-E233 PolarHBondContact NH2-OE1 3.38Å
202G90.8Very high94.3Very high4 Ų422.5 Ų22.54%0.04111%0.114CC..Hα-helixtrans-65.9-39.917700000112.5S173 T200 S205 L206S173-G202 VanDerWaalsContact OG-CA 3.27Å; S173-G202 WeakPolarHBondContact OG-CA 3.3Å; T200-G202 PolarHBondContact O-N 3.02Å; G202-S205 PolarHBondContact O-N 2.92Å; G202-L206 WeakPolarHBondContact O-CB 3.5Å; G202-L206 WeakPolarHBondContact O-CG 3.36Å; G202-L206 PolarHBondContact O-N 3.23Å
203E95.5Very high93.6Very high43 Ų4326.7 Ų26.720%0.20114%0.135CC..Hα-helixtrans-64.1-40.1172.4-72.9169.1167.900112S173 A198 S199 T200 L206 F207S173-E203 PolarHBondContact OG-N 2.7Å; A198-E203 HydrophobicContact CB-CB 4.03Å; S199-E203 WeakPolarHBondContact CA-OE2 3.48Å; S199-E203 PolarHBondContact N-OE2 3.48Å; T200-E203 PolarHBondContact N-OE2 3.27Å; T200-E203 VanDerWaalsContact N-OE2 3.16Å; T200-E203 WeakPolarHBondContact O-CB 3.48Å; T200-E203 PolarHBondContact O-N 2.87Å; T200-E203 VanDerWaalsContact O-N 3.08Å; T200-E203 VanDerWaalsContact OG1-CG 3.27Å; T200-E203 WeakPolarHBondContact OG1-CG 3.23Å; T200-E203 PolarHBondContact OG1-N 2.94Å; T200-E203 PolarHBondContact OG1-OE2 3.39Å; E203-L206 PolarHBondContact O-N 2.87Å; E203-F207 WeakPolarHBondContact O-CB 3.45Å; E203-F207 PolarHBondContact O-N 3.31Å
204V95.5Very high93Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-61.7-45.2173.6-179.40000110.8V153 A198 T200 R201 L206 F207 I208 W227 I229 A261V153-V204 HydrophobicContact CG1-CB 4.5Å; V153-V204 HydrophobicContact CG1-CG1 3.95Å; V153-V204 HydrophobicContact CG2-CB 4.17Å; V153-V204 HydrophobicContact CG2-CG1 4.17Å; A198-V204 HydrophobicContact CB-CG2 3.77Å; T200-V204 WeakPolarHBondContact O-CG2 3.24Å; T200-V204 PolarHBondContact O-N 3.07Å; R201-V204 PolarHBondContact O-N 3Å; V204-L206 PolarHBondContact O-N 3.34Å; V204-F207 WeakPolarHBondContact O-CB 3.49Å; V204-F207 PolarHBondContact O-N 2.89Å; V204-I208 HydrophobicContact CG1-CD1 4.1Å; V204-I208 VanDerWaalsContact O-CG1 3.3Å; V204-I208 WeakPolarHBondContact O-CG1 2.97Å; V204-I208 PolarHBondContact O-N 2.93Å; V204-W227 HydrophobicContact CB-CG 4.47Å; V204-W227 HydrophobicContact CG1-CB 3.95Å; V204-W227 HydrophobicContact CG1-CD2 3.96Å; V204-W227 HydrophobicContact CG1-CG 3.51Å; V204-W227 HydrophobicContact CG2-CB 4.2Å; V204-W227 HydrophobicContact CG2-CD2 4.05Å; V204-W227 HydrophobicContact CG2-CE3 4.12Å; V204-W227 HydrophobicContact CG2-CG 4.1Å; V204-I229 HydrophobicContact CG2-CD1 4.26Å; V204-I229 HydrophobicContact CG2-CG1 4.34Å; V204-A261 HydrophobicContact CG1-CB 4.38Å; V204-A261 HydrophobicContact CG2-CB 4.44Å
205S89.9Confident92.3Very high0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-64.4-38.8177.5-177.20000112.5H159 F167 R201 G202 I208 S209H159-S205 PolarHBondContact NE2-O 2.76Å; H159-S205 PolarHBondContact NE2-OG 2.85Å; F167-S205 WeakPolarHBondContact CD2-OG 3.14Å; R201-S205 PolarHBondContact O-N 2.63Å; G202-S205 PolarHBondContact O-N 2.92Å; S205-I208 PolarHBondContact O-N 3.46Å; S205-S209 WeakPolarHBondContact O-CB 3.49Å; S205-S209 PolarHBondContact O-N 3.35Å; S205-S209 PolarHBondContact O-OG 3.28Å
206L91Very high91.9Very high6 Ų645.3 Ų45.33%0.03121%0.214CC..Hα-helixtrans-66.9-37.8173.6-71.7177.2000112.2I166 A170 S173 V175 G202 E203 V204 S209 T210I166-L206 HydrophobicContact CD1-CD2 4.03Å; I166-L206 HydrophobicContact CG1-CD2 4.12Å; I166-L206 HydrophobicContact CG2-CD2 3.68Å; A170-L206 HydrophobicContact CB-CG 4.28Å; S173-L206 VanDerWaalsContact O-CD1 3.29Å; S173-L206 WeakPolarHBondContact O-CD1 3.47Å; V175-L206 HydrophobicContact CG2-CB 4.4Å; V175-L206 HydrophobicContact CG2-CD1 4.06Å; V175-L206 HydrophobicContact CG2-CD2 4.4Å; G202-L206 WeakPolarHBondContact O-CB 3.5Å; G202-L206 WeakPolarHBondContact O-CG 3.36Å; G202-L206 PolarHBondContact O-N 3.23Å; E203-L206 PolarHBondContact O-N 2.87Å; V204-L206 PolarHBondContact O-N 3.34Å; L206-S209 PolarHBondContact O-N 2.94Å; L206-T210 VanDerWaalsContact O-CB 3.22Å; L206-T210 WeakPolarHBondContact O-CB 3.33Å; L206-T210 PolarHBondContact O-N 3.39Å; L206-T210 PolarHBondContact O-OG1 2.69Å
207F95.9Very high91.6Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-57.9-50.9172.8164.7-105000111.4P176 I178 H194 A196 E203 V204 T210 L211 L225 A261 M263P176-F207 HydrophobicContact CG-CB 3.92Å; I178-F207 HydrophobicContact CD1-CD2 3.95Å; I178-F207 HydrophobicContact CG1-CD2 4.03Å; I178-F207 HydrophobicContact CG2-CD2 4.44Å; I178-F207 HydrophobicContact CG2-CE2 4.09Å; H194-F207 HydrophobicContact CB-CE2 4.5Å; H194-F207 HydrophobicContact CB-CZ 4.41Å; A196-F207 HydrophobicContact CB-CD2 3.38Å; A196-F207 HydrophobicContact CB-CE2 3.73Å; A196-F207 HydrophobicContact CB-CG 4.17Å; E203-F207 WeakPolarHBondContact O-CB 3.45Å; E203-F207 PolarHBondContact O-N 3.31Å; V204-F207 WeakPolarHBondContact O-CB 3.49Å; V204-F207 PolarHBondContact O-N 2.89Å; F207-T210 PolarHBondContact O-N 3.28Å; F207-L211 HydrophobicContact CD1-CD1 4.44Å; F207-L211 HydrophobicContact CD2-CD1 4.06Å; F207-L211 HydrophobicContact CE1-CD1 3.89Å; F207-L211 HydrophobicContact CE2-CD1 3.47Å; F207-L211 VanDerWaalsContact CE2-CD1 3.47Å; F207-L211 HydrophobicContact CE2-CG 4.25Å; F207-L211 HydrophobicContact CZ-CD1 3.37Å; F207-L211 PolarHBondContact O-N 2.87Å; F207-L211 VanDerWaalsContact O-N 3.07Å; F207-L225 HydrophobicContact CD1-CD1 4.42Å; F207-L225 HydrophobicContact CE1-CD1 4.02Å; F207-A261 HydrophobicContact CD1-CB 3.5Å; F207-A261 VanDerWaalsContact CD1-CB 3.5Å; F207-A261 HydrophobicContact CE1-CB 3.7Å; F207-A261 HydrophobicContact CG-CB 4.05Å; F207-A261 HydrophobicContact CZ-CB 4.37Å; F207-M263 HydrophobicContact CE1-CB 3.97Å; F207-M263 HydrophobicContact CZ-CB 3.94Å
208I94.2Very high91.2Very high0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-61.1-50.5178.1-60.2160.3000110.1V153 H159 V204 S205 T210 L211 L212 L225 M263V153-I208 HydrophobicContact CG1-CD1 3.64Å; H159-I208 HydrophobicContact CB-CG2 3.78Å; H159-I208 VanDerWaalsContact CG-CG2 3.46Å; V204-I208 HydrophobicContact CG1-CD1 4.1Å; V204-I208 VanDerWaalsContact O-CG1 3.3Å; V204-I208 WeakPolarHBondContact O-CG1 2.97Å; V204-I208 PolarHBondContact O-N 2.93Å; S205-I208 PolarHBondContact O-N 3.46Å; I208-T210 VanDerWaalsContact C-N 3.34Å; I208-T210 PolarHBondContact O-N 3.47Å; I208-L211 PolarHBondContact O-N 3.49Å; I208-L212 HydrophobicContact CG2-CD1 3.66Å; I208-L212 HydrophobicContact CG2-CG 4.36Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.22Å; I208-L212 PolarHBondContact O-N 3.32Å; I208-L225 HydrophobicContact CD1-CD1 4.32Å; I208-L225 HydrophobicContact CD1-CD2 3.46Å; I208-L225 VanDerWaalsContact CD1-CD2 3.46Å; I208-L225 HydrophobicContact CG1-CD1 3.94Å; I208-L225 HydrophobicContact CG1-CD2 3.95Å; I208-M263 HydrophobicContact CB-CE 4.46Å; I208-M263 HydrophobicContact CG1-CE 4.4Å; I208-M263 HydrophobicContact CG2-CE 4.05Å
209S88.4Confident90.9Very high15 Ų1545.4 Ų45.411%0.10523%0.232CC..Hα-helixtrans-57.5-46.7-179.1-56.90000111.7H159 S205 L206 L212 M213H159-S209 PolarHBondContact CD2-OG 2.72Å; S205-S209 WeakPolarHBondContact O-CB 3.49Å; S205-S209 PolarHBondContact O-N 3.35Å; S205-S209 PolarHBondContact O-OG 3.28Å; L206-S209 PolarHBondContact O-N 2.94Å; S209-L212 PolarHBondContact O-N 2.79Å; S209-M213 WeakPolarHBondContact O-CG 3.28Å; S209-M213 PolarHBondContact O-N 3.34Å; S209-M213 VanDerWaalsContact O-N 3.13Å
210T90.8Very high90.8Very high49 Ų4943.4 Ų43.430%0.30122%0.219SC..Hα-helixtrans-65.2-41.6-177.8-56.40000111.4V175 I178 L206 F207 I208 M213V175-T210 HydrophobicContact CG1-CG2 4.36Å; I178-T210 HydrophobicContact CD1-CG2 3.71Å; L206-T210 VanDerWaalsContact O-CB 3.22Å; L206-T210 WeakPolarHBondContact O-CB 3.33Å; L206-T210 PolarHBondContact O-N 3.39Å; L206-T210 PolarHBondContact O-OG1 2.69Å; F207-T210 PolarHBondContact O-N 3.28Å; I208-T210 VanDerWaalsContact C-N 3.34Å; I208-T210 PolarHBondContact O-N 3.47Å; T210-M213 WeakPolarHBondContact O-CB 3.37Å; T210-M213 PolarHBondContact O-N 3.09Å
211L93.7Very high90.8Very high5 Ų544 Ų443%0.02622%0.222CC..Hα-helixtrans-62.9-43.5175.3-80.7176.7000112.2I178 H194 F207 I208 M213 D214 V217 M263I178-L211 HydrophobicContact CD1-CD2 4.41Å; I178-L211 HydrophobicContact CD1-CG 4.13Å; I178-L211 HydrophobicContact CG2-CD2 3.91Å; I178-L211 HydrophobicContact CG2-CG 4.42Å; H194-L211 HydrophobicContact CB-CD1 3.7Å; H194-L211 HydrophobicContact CB-CD2 3.85Å; H194-L211 HydrophobicContact CB-CG 4.45Å; F207-L211 HydrophobicContact CD1-CD1 4.44Å; F207-L211 HydrophobicContact CD2-CD1 4.06Å; F207-L211 HydrophobicContact CE1-CD1 3.89Å; F207-L211 HydrophobicContact CE2-CD1 3.47Å; F207-L211 VanDerWaalsContact CE2-CD1 3.47Å; F207-L211 HydrophobicContact CE2-CG 4.25Å; F207-L211 HydrophobicContact CZ-CD1 3.37Å; F207-L211 PolarHBondContact O-N 2.87Å; F207-L211 VanDerWaalsContact O-N 3.07Å; I208-L211 PolarHBondContact O-N 3.49Å; L211-M213 PolarHBondContact O-N 3.08Å; L211-D214 WeakPolarHBondContact O-CB 3.29Å; L211-D214 PolarHBondContact O-N 3.03Å; L211-V217 HydrophobicContact CB-CG1 4.28Å; L211-V217 WeakPolarHBondContact O-CB 3.38Å; L211-M263 HydrophobicContact CB-SD 4.15Å; L211-M263 HydrophobicContact CD1-CB 3.76Å; L211-M263 HydrophobicContact CD1-CE 4.17Å; L211-M263 HydrophobicContact CD1-CG 4.29Å; L211-M263 HydrophobicContact CD1-SD 3.66Å
212L89.3Confident90.9Very high19 Ų1942.6 Ų42.610%0.09922%0.218CC..Hα-helixtrans-74.9-6.4-179.3-61.7173.9000113.5V156 H159 L160 I208 S209 D214 V217 A218V156-L212 HydrophobicContact CG1-CD1 4.28Å; V156-L212 HydrophobicContact CG1-CD2 4.41Å; H159-L212 HydrophobicContact CB-CD1 3.63Å; L160-L212 HydrophobicContact CD2-CB 4.22Å; L160-L212 HydrophobicContact CD2-CD1 4.15Å; L160-L212 HydrophobicContact CD2-CD2 4.01Å; L160-L212 HydrophobicContact CD2-CG 4.35Å; L160-L212 HydrophobicContact CG-CD1 4.02Å; L160-L212 HydrophobicContact CG-CD2 4.38Å; I208-L212 HydrophobicContact CG2-CD1 3.66Å; I208-L212 HydrophobicContact CG2-CG 4.36Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.22Å; I208-L212 PolarHBondContact O-N 3.32Å; S209-L212 PolarHBondContact O-N 2.79Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-V217 HydrophobicContact CD2-CG1 4.37Å; L212-A218 WeakPolarHBondContact O-CB 3.48Å
213M84Confident91.2Very high116 Ų11642.4 Ų42.457%0.57122%0.216SC*.Hα-helixtrans-73.8-25.9165.7-68.5-176-167.800112.1P164 S209 T210 L211 R215P164-M213 HydrophobicContact CB-CE 4.08Å; S209-M213 WeakPolarHBondContact O-CG 3.28Å; S209-M213 PolarHBondContact O-N 3.34Å; S209-M213 VanDerWaalsContact O-N 3.13Å; T210-M213 WeakPolarHBondContact O-CB 3.37Å; T210-M213 PolarHBondContact O-N 3.09Å; L211-M213 PolarHBondContact O-N 3.08Å; M213-R215 PolarHBondContact O-N 3.25Å
214D84.5Confident91.3Very high83 Ų8340.4 Ų40.444%0.44421%0.207SC..SBendtrans-73.1116.1170.2-177.1-7.2000109.3L211 L212 K216 V217 A218L211-D214 WeakPolarHBondContact O-CB 3.29Å; L211-D214 PolarHBondContact O-N 3.03Å; L212-D214 VanDerWaalsContact C-N 3.33Å; D214-K216 PolarHBondContact O-N 3.29Å; D214-K216 VanDerWaalsContact O-N 3.13Å; D214-K216 WeakPolarHBondContact OD1-CB 3.31Å; D214-K216 PolarHBondContact OD1-N 3.36Å; D214-V217 HydrophobicContact CB-CB 4.4Å; D214-V217 HydrophobicContact CB-CG2 4.19Å; D214-V217 PolarHBondContact O-N 3.24Å; D214-V217 VanDerWaalsContact O-N 3.1Å; D214-A218 WeakPolarHBondContact O-CB 3.31Å; D214-A218 PolarHBondContact O-N 2.8Å
215R84.5Confident91.4Very high209 Ų20940.6 Ų40.679%0.78921%0.208SC*.Hα-helixtrans-53.8-35.4178.3-169.1-163.3-76.7-142.8-0.6111.9M213 T219M213-R215 PolarHBondContact O-N 3.25Å; R215-T219 HydrophobicContact CG-CG2 4.25Å; R215-T219 WeakPolarHBondContact O-CB 3.37Å; R215-T219 VanDerWaalsContact O-CG2 3.26Å; R215-T219 WeakPolarHBondContact O-CG2 3.42Å; R215-T219 PolarHBondContact O-N 3.35Å; R215-T219 VanDerWaalsContact O-N 3.11Å; R215-T219 PolarHBondContact O-OG1 3.03Å
216K90.2Very high91.7Very high102 Ų10240.6 Ų40.644%0.44321%0.208SC..Hα-helixtrans-62.8-47.5-179.7-174.5-173.2171.3-160.60110.6D214 T219 W267D214-K216 PolarHBondContact O-N 3.29Å; D214-K216 VanDerWaalsContact O-N 3.13Å; D214-K216 WeakPolarHBondContact OD1-CB 3.31Å; D214-K216 PolarHBondContact OD1-N 3.36Å; K216-T219 PolarHBondContact O-OG1 3.07Å; K216-T219 VanDerWaalsContact O-OG1 3.08Å; K216-W267 HydrophobicContact CD-CZ2 4.49Å; K216-W267 HydrophobicContact CG-CZ2 3.85Å; K216-W267 VanDerWaalsContact O-CZ2 3.27Å; K216-W267 WeakPolarHBondContact O-CZ2 3.34Å; K216-W267 PolarHBondContact O-NE1 3.49Å; K216-W267 VanDerWaalsContact O-NE1 3.07Å
217V91.9Very high92Very high2 Ų240.7 Ų40.71%0.01221%0.208CC..Hα-helixtrans-69.5-46178.8179.40000110.7L211 L212 D214 T219 A220 N223 M263L211-V217 HydrophobicContact CB-CG1 4.28Å; L211-V217 WeakPolarHBondContact O-CB 3.38Å; L212-V217 HydrophobicContact CD2-CG1 4.37Å; D214-V217 HydrophobicContact CB-CB 4.4Å; D214-V217 HydrophobicContact CB-CG2 4.19Å; D214-V217 PolarHBondContact O-N 3.24Å; D214-V217 VanDerWaalsContact O-N 3.1Å; V217-T219 PolarHBondContact O-N 3.38Å; V217-A220 VanDerWaalsContact O-CB 3.23Å; V217-A220 WeakPolarHBondContact O-CB 3.45Å; V217-A220 PolarHBondContact O-N 2.89Å; V217-N223 WeakPolarHBondContact CG1-OD1 3.45Å; V217-N223 PolarHBondContact O-ND2 3.42Å; V217-N223 PolarHBondContact O-OD1 2.87Å; V217-M263 HydrophobicContact CG1-SD 4.04Å
218A87.8Confident92Very high31 Ų3141.6 Ų41.626%0.25621%0.211SC..Hα-helixtrans-60-22.7178.800000114.2L160 L212 D214L160-A218 HydrophobicContact CD2-CB 4.17Å; L212-A218 WeakPolarHBondContact O-CB 3.48Å; D214-A218 WeakPolarHBondContact O-CB 3.31Å; D214-A218 PolarHBondContact O-N 2.8Å
219T89.5Confident92.1Very high92 Ų9242 Ų4256%0.56421%0.213SC*.THydrogen-bonded Turntrans-98.65177.755.90000113.7R215 K216 V217R215-T219 HydrophobicContact CG-CG2 4.25Å; R215-T219 WeakPolarHBondContact O-CB 3.37Å; R215-T219 VanDerWaalsContact O-CG2 3.26Å; R215-T219 WeakPolarHBondContact O-CG2 3.42Å; R215-T219 PolarHBondContact O-N 3.35Å; R215-T219 VanDerWaalsContact O-N 3.11Å; R215-T219 PolarHBondContact O-OG1 3.03Å; K216-T219 PolarHBondContact O-OG1 3.07Å; K216-T219 VanDerWaalsContact O-OG1 3.08Å; V217-T219 PolarHBondContact O-N 3.38Å
220A93.4Very high92.2Very high13 Ų1343 Ų4311%0.10722%0.221CC..SBendtrans-57.8148.5169.900000110.6V217 H222 N223 W267V217-A220 VanDerWaalsContact O-CB 3.23Å; V217-A220 WeakPolarHBondContact O-CB 3.45Å; V217-A220 PolarHBondContact O-N 2.89Å; A220-H222 PolarHBondContact O-N 3.44Å; A220-N223 WeakPolarHBondContact CB-OD1 3.26Å; A220-W267 HydrophobicContact CB-CD2 4.24Å; A220-W267 HydrophobicContact CB-CG 4.48Å; A220-W267 HydrophobicContact CB-CZ2 4.05Å
221T93Very high92Very high69 Ų6944.6 Ų44.642%0.42323%0.233SC..SBendtrans-65-35.9176-49.10000110.5R266 F268T221-R266 WeakPolarHBondContact CA-O 3.35Å; T221-R266 WeakPolarHBondContact CB-O 3.33Å; T221-R266 PolarHBondContact N-O 3.33Å; T221-F268 HydrophobicContact CG2-CB 3.94Å; T221-F268 PolarHBondContact OG1-N 2.71Å
222H95.6Very high91.7Very high36 Ų3654.2 Ų54.217%0.16728%0.275CS..EExtended strand (participates in β ladder)trans-145.2134.5176-53.9-70.8000109.7A220 I224 D239 E241 S265 R266A220-H222 PolarHBondContact O-N 3.44Å; H222-I224 HydrophobicContact CB-CG1 4.2Å; H222-D239 PolarHBondContact ND1-O 2.99Å; H222-E241 HydrophobicContact CB-CB 3.79Å; H222-E241 IonicContact CD2-OE2 3.34Å; H222-E241 PolarHBondContact CD2-OE2 3.46Å; H222-E241 IonicContact CG-OE2 2.75Å; H222-E241 PolarHBondContact ND1-N 3.21Å; H222-E241 IonicContact NE2-OE2 2.58Å; H222-S265 CarbonylContact O-C 3.58Å; H222-S265 WeakPolarHBondContact O-CA 3.48Å; H222-R266 PolarHBondContact N-O 3.07Å; H222-R266 VanDerWaalsContact N-O 3.16Å; H222-R266 PolarHBondContact O-N 2.75Å
223N96.5Very high91.8Very high1 Ų155.7 Ų55.71%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-114.179172.6-75-54.4000108.8V156 V217 A220 L225 D239 M263 S265V156-N223 HydrophobicContact CG1-CB 3.78Å; V156-N223 WeakPolarHBondContact CG2-O 3.35Å; V217-N223 WeakPolarHBondContact CG1-OD1 3.45Å; V217-N223 PolarHBondContact O-ND2 3.42Å; V217-N223 PolarHBondContact O-OD1 2.87Å; A220-N223 WeakPolarHBondContact CB-OD1 3.26Å; N223-L225 PolarHBondContact O-N 3.34Å; N223-D239 PolarHBondContact N-OD2 3.31Å; N223-M263 HydrophobicContact CB-CE 4.43Å; N223-M263 HydrophobicContact CB-CG 4.23Å; N223-M263 HydrophobicContact CB-SD 3.86Å; N223-S265 WeakPolarHBondContact OD1-CB 3.46Å; N223-S265 PolarHBondContact OD1-OG 2.91Å; N223-S265 VanDerWaalsContact OD1-OG 3.14Å
224I97.5Very high92.3Very high0 Ų052.1 Ų52.10%027%0.27CS..EExtended strand (participates in β ladder)trans-71.1125.7-171.2-55.8145.8000108.9H222 E241 A244 L248 M263 V264 I281H222-I224 HydrophobicContact CB-CG1 4.2Å; I224-E241 HydrophobicContact CD1-CB 4.05Å; I224-E241 HydrophobicContact CD1-CG 3.86Å; I224-E241 HydrophobicContact CG1-CB 3.83Å; I224-E241 HydrophobicContact CG1-CG 4.21Å; I224-A244 HydrophobicContact CB-CB 4.4Å; I224-A244 HydrophobicContact CD1-CB 3.81Å; I224-A244 HydrophobicContact CG1-CB 3.89Å; I224-A244 HydrophobicContact CG2-CB 3.63Å; I224-L248 HydrophobicContact CG2-CD2 4.3Å; I224-M263 CarbonylContact O-C 3.58Å; I224-M263 VanDerWaalsContact O-CA 3.23Å; I224-M263 WeakPolarHBondContact O-CA 3.31Å; I224-V264 PolarHBondContact N-O 3.04Å; I224-V264 PolarHBondContact O-N 3Å; I224-I281 HydrophobicContact CD1-CD1 3.48Å; I224-I281 VanDerWaalsContact CD1-CD1 3.48Å; I224-I281 HydrophobicContact CD1-CG1 3.82Å; I224-I281 HydrophobicContact CD1-CG2 4.33Å
225L97.7Very high92.8Very high4 Ų451 Ų512%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-113.1140-175.3-178.872.2000111V156 F207 I208 N223 C236 D237 M263V156-L225 HydrophobicContact CG2-CB 4Å; V156-L225 HydrophobicContact CG2-CD2 4.33Å; F207-L225 HydrophobicContact CD1-CD1 4.42Å; F207-L225 HydrophobicContact CE1-CD1 4.02Å; I208-L225 HydrophobicContact CD1-CD1 4.32Å; I208-L225 HydrophobicContact CD1-CD2 3.46Å; I208-L225 VanDerWaalsContact CD1-CD2 3.46Å; I208-L225 HydrophobicContact CG1-CD1 3.94Å; I208-L225 HydrophobicContact CG1-CD2 3.95Å; N223-L225 PolarHBondContact O-N 3.34Å; L225-C236 CarbonylContact O-C 3.5Å; L225-C236 VanDerWaalsContact O-CA 3.25Å; L225-C236 WeakPolarHBondContact O-CA 3.29Å; L225-C236 WeakPolarHBondContact O-CB 3.17Å; L225-D237 HydrophobicContact CB-CB 3.94Å; L225-D237 HydrophobicContact CD2-CB 4.42Å; L225-D237 PolarHBondContact N-O 3.15Å; L225-D237 PolarHBondContact O-N 2.95Å; L225-M263 HydrophobicContact CD1-CB 4.48Å; L225-M263 HydrophobicContact CD1-CE 4.39Å
226A97.2Very high93.3Very high0 Ų043.1 Ų43.10%024%0.241CC..EExtended strand (participates in β ladder)trans-143.2141158.600000109.6C236 L248 L249 L252 V262A226-C236 HydrophobicContact CB-CB 4.31Å; A226-L248 HydrophobicContact CB-CB 3.89Å; A226-L248 HydrophobicContact CB-CD2 3.87Å; A226-L248 HydrophobicContact CB-CG 3.7Å; A226-L249 HydrophobicContact CB-CB 3.83Å; A226-L252 HydrophobicContact CB-CD1 3.96Å; A226-V262 PolarHBondContact N-O 2.94Å; A226-V262 PolarHBondContact O-N 2.93Å; A226-V262 VanDerWaalsContact O-O 3.05Å
227W97.3Very high93.4Very high9 Ų939.9 Ų39.93%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-143.5151.1174.961.2-92.8000110.2V153 V204 I229 E233 A234 D235 V260 A261V153-W227 HydrophobicContact CB-CZ2 4.13Å; V153-W227 HydrophobicContact CG2-CH2 4.4Å; V153-W227 HydrophobicContact CG2-CZ2 3.72Å; V204-W227 HydrophobicContact CB-CG 4.47Å; V204-W227 HydrophobicContact CG1-CB 3.95Å; V204-W227 HydrophobicContact CG1-CD2 3.96Å; V204-W227 HydrophobicContact CG1-CG 3.51Å; V204-W227 HydrophobicContact CG2-CB 4.2Å; V204-W227 HydrophobicContact CG2-CD2 4.05Å; V204-W227 HydrophobicContact CG2-CE3 4.12Å; V204-W227 HydrophobicContact CG2-CG 4.1Å; W227-I229 HydrophobicContact CE3-CD1 3.99Å; W227-I229 HydrophobicContact CE3-CG1 3.83Å; W227-I229 HydrophobicContact CH2-CD1 4.36Å; W227-I229 HydrophobicContact CZ3-CB 4.25Å; W227-I229 HydrophobicContact CZ3-CD1 3.56Å; W227-I229 HydrophobicContact CZ3-CG1 3.76Å; W227-E233 HydrophobicContact CH2-CG 4.09Å; W227-E233 HydrophobicContact CZ3-CG 3.96Å; W227-E233 WeakPolarHBondContact CZ3-O 3.45Å; W227-A234 VanDerWaalsContact O-CA 3.26Å; W227-A234 WeakPolarHBondContact O-CA 3.19Å; W227-A234 WeakPolarHBondContact O-CB 3.42Å; W227-D235 HydrophobicContact CD2-CB 4.44Å; W227-D235 VanDerWaalsContact CE2-CB 3.48Å; W227-D235 HydrophobicContact CH2-CB 4.15Å; W227-D235 HydrophobicContact CZ2-CB 3.31Å; W227-D235 PolarHBondContact N-O 2.84Å; W227-D235 PolarHBondContact O-N 2.87Å; W227-D235 VanDerWaalsContact O-N 3.07Å; W227-V260 CarbonylContact C-O 3.42Å; W227-V260 VanDerWaalsContact CA-O 3.27Å; W227-V260 WeakPolarHBondContact CA-O 3.29Å; W227-V260 WeakPolarHBondContact CB-O 3.44Å; W227-A261 HydrophobicContact CB-CB 3.84Å
228R96.2Very high93.4Very high19 Ų1942 Ų427%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-143.7106.3-179.8-176.1162.4-179.8-89.7-3.2108.3S231 A234 L249 I257 E258 N259 V260R228-S231 VanDerWaalsContact NH2-CA 3.29Å; R228-S231 PolarHBondContact NH2-OG 2.99Å; R228-A234 HydrophobicContact CB-CB 3.98Å; R228-A234 HydrophobicContact CG-CB 3.9Å; R228-L249 HydrophobicContact CB-CD1 4.42Å; R228-I257 WeakPolarHBondContact CD-O 3.35Å; R228-I257 VanDerWaalsContact NH1-C 3.32Å; R228-I257 PolarHBondContact NH1-O 3.5Å; R228-E258 IonicContact CZ-OE1 3.8Å; R228-E258 IonicContact NH1-OE1 2.73Å; R228-E258 IonicContact NH2-OE1 3.93Å; R228-E258 PolarHBondContact NH2-OE1 2.84Å; R228-E258 CarbonylContact O-C 3.47Å; R228-N259 VanDerWaalsContact O-CA 3.31Å; R228-N259 WeakPolarHBondContact O-CA 3.46Å; R228-N259 PolarHBondContact O-N 3.43Å; R228-V260 PolarHBondContact N-O 3.34Å; R228-V260 PolarHBondContact O-N 3.35Å
229I94.8Very high93.6Very high8 Ų841.9 Ų41.94%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-78.6-47.5174-69.4166.5000108.7S199 R201 V204 W227 E233 N259S199-I229 VanDerWaalsContact O-CG2 3.24Å; S199-I229 WeakPolarHBondContact O-CG2 3.47Å; R201-I229 HydrophobicContact CG-CD1 4.07Å; V204-I229 HydrophobicContact CG2-CD1 4.26Å; V204-I229 HydrophobicContact CG2-CG1 4.34Å; W227-I229 HydrophobicContact CE3-CD1 3.99Å; W227-I229 HydrophobicContact CE3-CG1 3.83Å; W227-I229 HydrophobicContact CH2-CD1 4.36Å; W227-I229 HydrophobicContact CZ3-CB 4.25Å; W227-I229 HydrophobicContact CZ3-CD1 3.56Å; W227-I229 HydrophobicContact CZ3-CG1 3.76Å; I229-E233 HydrophobicContact CB-CB 4.35Å; I229-E233 HydrophobicContact CB-CG 4.35Å; I229-E233 HydrophobicContact CD1-CG 4.37Å; I229-E233 PolarHBondContact N-O 2.85Å; I229-N259 VanDerWaalsContact O-CG 3.32Å; I229-N259 PolarHBondContact O-N 3.47Å; I229-N259 PolarHBondContact O-OD1 3.01Å
230S91.8Very high93.4Very high37 Ų3740.3 Ų40.326%0.25924%0.237SC..EExtended strand (participates in β ladder)trans-147.2173.6175.970.70000110.8K232 E233S230-K232 PolarHBondContact O-N 2.94Å; S230-K232 VanDerWaalsContact O-N 3.08Å; S230-K232 PolarHBondContact OG-N 2.84Å; S230-E233 PolarHBondContact N-O 3.16Å; S230-E233 VanDerWaalsContact N-O 3.15Å; S230-E233 CarbonylContact O-C 3.57Å; S230-E233 PolarHBondContact O-N 2.8Å; S230-E233 VanDerWaalsContact O-O 3.09Å; S230-E233 WeakPolarHBondContact OG-CB 3.26Å; S230-E233 PolarHBondContact OG-N 2.79Å
231S85.5Confident93.2Very high81 Ų8140.2 Ų40.257%0.56623%0.234SC*.THydrogen-bonded Turntrans-53.1-26.5172.7-62.40000115R228 E258R228-S231 VanDerWaalsContact NH2-CA 3.29Å; R228-S231 PolarHBondContact NH2-OG 2.99Å; S231-E258 PolarHBondContact N-OE1 3.47Å; S231-E258 PolarHBondContact OG-OE1 3.37Å
232K87.9Confident92.8Very high207 Ų20740.8 Ų40.890%0.924%0.237SC*.THydrogen-bonded Turntrans-99.9-8.7179.1-62.5-176.6-179.4-178.50113.3S230S230-K232 PolarHBondContact O-N 2.94Å; S230-K232 VanDerWaalsContact O-N 3.08Å; S230-K232 PolarHBondContact OG-N 2.84Å
233E91.9Very high92.2Very high51 Ų5142.6 Ų42.624%0.23825%0.246CC..EExtended strand (participates in β ladder)trans-136.392.9-169-165.9-179.9-164.200109.8R201 W227 I229 S230R201-E233 WeakPolarHBondContact CG-OE1 3.49Å; R201-E233 IonicContact CZ-OE1 3.84Å; R201-E233 IonicContact NE-OE1 2.75Å; R201-E233 PolarHBondContact NE-OE1 2.87Å; R201-E233 IonicContact NH2-OE1 3.24Å; R201-E233 PolarHBondContact NH2-OE1 3.38Å; W227-E233 HydrophobicContact CH2-CG 4.09Å; W227-E233 HydrophobicContact CZ3-CG 3.96Å; W227-E233 WeakPolarHBondContact CZ3-O 3.45Å; I229-E233 HydrophobicContact CB-CB 4.35Å; I229-E233 HydrophobicContact CB-CG 4.35Å; I229-E233 HydrophobicContact CD1-CG 4.37Å; I229-E233 PolarHBondContact N-O 2.85Å; S230-E233 PolarHBondContact N-O 3.16Å; S230-E233 VanDerWaalsContact N-O 3.15Å; S230-E233 CarbonylContact O-C 3.57Å; S230-E233 PolarHBondContact O-N 2.8Å; S230-E233 VanDerWaalsContact O-O 3.09Å; S230-E233 WeakPolarHBondContact OG-CB 3.26Å; S230-E233 PolarHBondContact OG-N 2.79Å
234A93.9Very high91.8Very high40 Ų4042.5 Ų42.533%0.33125%0.245SC..EExtended strand (participates in β ladder)trans-151.9152.3-179.200000109.2W227 R228 L249W227-A234 VanDerWaalsContact O-CA 3.26Å; W227-A234 WeakPolarHBondContact O-CA 3.19Å; W227-A234 WeakPolarHBondContact O-CB 3.42Å; R228-A234 HydrophobicContact CB-CB 3.98Å; R228-A234 HydrophobicContact CG-CB 3.9Å; A234-L249 HydrophobicContact CB-CD1 3.73Å; A234-L249 HydrophobicContact CB-CD2 4.47Å
235D94Very high91.5Very high60 Ų6042.5 Ų42.532%0.32125%0.245SC..EExtended strand (participates in β ladder)trans-154.9169.8175.8-155.6-3.8000110.2S152 W227S152-D235 PolarHBondContact OG-OD2 2.91Å; W227-D235 HydrophobicContact CD2-CB 4.44Å; W227-D235 VanDerWaalsContact CE2-CB 3.48Å; W227-D235 HydrophobicContact CH2-CB 4.15Å; W227-D235 HydrophobicContact CZ2-CB 3.31Å; W227-D235 PolarHBondContact N-O 2.84Å; W227-D235 PolarHBondContact O-N 2.87Å; W227-D235 VanDerWaalsContact O-N 3.07Å
236C95.2Very high91.1Very high43 Ų4344 Ų4429%0.29126%0.262SS..EExtended strand (participates in β ladder)trans-147.1158.7179.367.30000112.5L225 A226 G245 L249L225-C236 CarbonylContact O-C 3.5Å; L225-C236 VanDerWaalsContact O-CA 3.25Å; L225-C236 WeakPolarHBondContact O-CA 3.29Å; L225-C236 WeakPolarHBondContact O-CB 3.17Å; A226-C236 HydrophobicContact CB-CB 4.31Å; C236-G245 VanDerWaalsContact CB-C 3.48Å; C236-G245 WeakPolarHBondContact CB-O 3.45Å; C236-L249 HydrophobicContact CB-CB 4.02Å; C236-L249 HydrophobicContact CB-CD2 4.18Å
237D92.5Very high90.8Very high34 Ų3444.9 Ų44.918%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-135.9125.8173.5-167.8-10.1000109S155 V156 L225 D239S155-D237 VanDerWaalsContact CA-OD2 3.28Å; S155-D237 WeakPolarHBondContact CA-OD2 3.33Å; S155-D237 WeakPolarHBondContact CB-OD2 3.49Å; V156-D237 HydrophobicContact CG2-CB 4.22Å; V156-D237 PolarHBondContact N-OD2 2.98Å; L225-D237 HydrophobicContact CB-CB 3.94Å; L225-D237 HydrophobicContact CD2-CB 4.42Å; L225-D237 PolarHBondContact N-O 3.15Å; L225-D237 PolarHBondContact O-N 2.95Å; D237-D239 VanDerWaalsContact C-N 3.3Å; D237-D239 PolarHBondContact OD1-N 2.94Å
238D91.8Very high90.6Very high46 Ų4644.5 Ų44.525%0.24626%0.264CS..  trans-73.7-24176.4-77.4-13.8000112G240 E241 H243 A244 G245D238-G240 PolarHBondContact O-N 3.45Å; D238-G240 VanDerWaalsContact O-N 3.15Å; D238-E241 WeakPolarHBondContact O-CB 3.4Å; D238-E241 PolarHBondContact O-N 3.45Å; D238-H243 PolarHBondContact OD2-N 3.04Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD1-N 3.14Å; D238-G245 WeakPolarHBondContact OD1-CA 3.38Å; D238-G245 PolarHBondContact OD1-N 3.29Å
239D92.2Very high90.5Very high30 Ų3045 Ų4516%0.1627%0.268CS..THydrogen-bonded Turntrans45.141.5-170.9-166.240000113.2V156 H222 N223 D237 E241V156-D239 HydrophobicContact CB-CB 4.35Å; V156-D239 HydrophobicContact CG1-CB 4.33Å; H222-D239 PolarHBondContact ND1-O 2.99Å; N223-D239 PolarHBondContact N-OD2 3.31Å; D237-D239 VanDerWaalsContact C-N 3.3Å; D237-D239 PolarHBondContact OD1-N 2.94Å; D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.08Å
240G86.6Confident90.3Very high59 Ų5946.1 Ų46.161%0.60827%0.273SS*.THydrogen-bonded Turntrans84.6-11.4-17900000115.5D238 T242D238-G240 PolarHBondContact O-N 3.45Å; D238-G240 VanDerWaalsContact O-N 3.15Å; G240-T242 VanDerWaalsContact C-N 3.32Å; G240-T242 PolarHBondContact O-N 3.37Å
241E88.5Confident90.2Very high11 Ų1145.2 Ų45.25%0.05127%0.265CS..SBendtrans-83.675.2173.6-170.474.6-11600109.7H222 I224 D238 D239 H243 A244 R266 R277 I281H222-E241 HydrophobicContact CB-CB 3.79Å; H222-E241 IonicContact CD2-OE2 3.34Å; H222-E241 PolarHBondContact CD2-OE2 3.46Å; H222-E241 IonicContact CG-OE2 2.75Å; H222-E241 PolarHBondContact ND1-N 3.21Å; H222-E241 IonicContact NE2-OE2 2.58Å; I224-E241 HydrophobicContact CD1-CB 4.05Å; I224-E241 HydrophobicContact CD1-CG 3.86Å; I224-E241 HydrophobicContact CG1-CB 3.83Å; I224-E241 HydrophobicContact CG1-CG 4.21Å; D238-E241 WeakPolarHBondContact O-CB 3.4Å; D238-E241 PolarHBondContact O-N 3.45Å; D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.08Å; E241-H243 PolarHBondContact O-N 3.34Å; E241-A244 HydrophobicContact CB-CB 4Å; E241-A244 HydrophobicContact CG-CB 3.65Å; E241-A244 WeakPolarHBondContact O-CB 3.48Å; E241-A244 PolarHBondContact O-N 3.18Å; E241-R266 IonicContact OE1-NH1 3.74Å; E241-R266 PolarHBondContact OE1-NH1 2.88Å; E241-R266 WeakPolarHBondContact OE2-CD 3.42Å; E241-R266 IonicContact OE2-CZ 3.58Å; E241-R266 IonicContact OE2-NE 3.84Å; E241-R266 IonicContact OE2-NH1 2.81Å; E241-R266 PolarHBondContact OE2-NH1 3.19Å; E241-R277 WeakPolarHBondContact OE1-CD 3.34Å; E241-R277 IonicContact OE1-CZ 3.67Å; E241-R277 IonicContact OE1-NE 3.2Å; E241-R277 PolarHBondContact OE1-NE 2.95Å; E241-R277 IonicContact OE1-NH1 3.59Å; E241-R277 PolarHBondContact OE1-NH1 3.34Å; E241-R277 IonicContact OE1-NH2 2.69Å; E241-I281 HydrophobicContact CG-CD1 4.33Å
242T84.1Confident90.4Very high80 Ų8041.4 Ų41.449%0.49124%0.238SC..THydrogen-bonded Turntrans-44.4127.3-167.6-430000113.2G240 A244 R277 F278G240-T242 VanDerWaalsContact C-N 3.32Å; G240-T242 PolarHBondContact O-N 3.37Å; T242-A244 VanDerWaalsContact C-N 3.32Å; T242-A244 PolarHBondContact O-N 3.08Å; T242-R277 PolarHBondContact O-NH1 3.21Å; T242-R277 PolarHBondContact O-NH2 3.48Å; T242-F278 WeakPolarHBondContact O-CZ 3.34Å
243H84.1Confident90.5Very high74 Ų7433.8 Ų33.834%0.34321%0.209SC..THydrogen-bonded Turntrans72.81.1-178.4-51.8-58.1000117L95 D238 E241 R247 F278L95-H243 HydrophobicContact CD1-CB 3.89Å; L95-H243 HydrophobicContact CD2-CB 3.94Å; D238-H243 PolarHBondContact OD2-N 3.04Å; E241-H243 PolarHBondContact O-N 3.34Å; H243-R247 WeakPolarHBondContact O-CD 3.42Å; H243-R247 WeakPolarHBondContact O-CG 3.21Å; H243-R247 PolarHBondContact O-N 3.34Å; H243-F278 HydrophobicContact CB-CE1 4.37Å; H243-F278 HydrophobicContact CB-CZ 4.31Å
244A87.7Confident90.3Very high0 Ų033.2 Ų33.20%021%0.208CC..Hα-helixtrans-73.6-39.8-176.200000113.5I224 D238 E241 T242 R247 L248 F278 I281I224-A244 HydrophobicContact CB-CB 4.4Å; I224-A244 HydrophobicContact CD1-CB 3.81Å; I224-A244 HydrophobicContact CG1-CB 3.89Å; I224-A244 HydrophobicContact CG2-CB 3.63Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD1-N 3.14Å; E241-A244 HydrophobicContact CB-CB 4Å; E241-A244 HydrophobicContact CG-CB 3.65Å; E241-A244 WeakPolarHBondContact O-CB 3.48Å; E241-A244 PolarHBondContact O-N 3.18Å; T242-A244 VanDerWaalsContact C-N 3.32Å; T242-A244 PolarHBondContact O-N 3.08Å; A244-R247 PolarHBondContact O-N 3.47Å; A244-L248 WeakPolarHBondContact O-CB 3.27Å; A244-L248 PolarHBondContact O-N 3.38Å; A244-F278 HydrophobicContact CB-CD1 4.29Å; A244-F278 HydrophobicContact CB-CE1 4.11Å; A244-I281 HydrophobicContact CB-CD1 3.99Å
245G90.5Very high89.9Confident0 Ų033.4 Ų33.40%021%0.207CC..Hα-helixtrans-64.2-47.2-179.500000111.6C236 D238 R247 L248 L249C236-G245 VanDerWaalsContact CB-C 3.48Å; C236-G245 WeakPolarHBondContact CB-O 3.45Å; D238-G245 WeakPolarHBondContact OD1-CA 3.38Å; D238-G245 PolarHBondContact OD1-N 3.29Å; G245-R247 VanDerWaalsContact C-N 3.31Å; G245-R247 PolarHBondContact O-N 2.95Å; G245-L248 PolarHBondContact O-N 3.23Å; G245-L249 WeakPolarHBondContact O-CB 3.23Å; G245-L249 PolarHBondContact O-N 3.46Å
246G89.7Confident89.7Confident36 Ų3633 Ų3337%0.37122%0.217SC..Hα-helixtrans-60.1-39176.400000113.1L249 H250G246-L249 PolarHBondContact O-N 2.64Å; G246-H250 WeakPolarHBondContact O-CB 3.47Å; G246-H250 PolarHBondContact O-N 3.23Å
247R89.8Confident89.4Confident18 Ų1831.4 Ų31.47%0.06821%0.205CC..Hα-helixtrans-67.7-39.3175.6-69.3166.4179.5-82.120.7112.5L95 S99 H243 A244 G245 H250 L251L95-R247 VanDerWaalsContact CD1-CZ 3.47Å; L95-R247 HydrophobicContact CD2-CG 4.4Å; L95-R247 PolarHBondContact O-NH1 3.05Å; L95-R247 VanDerWaalsContact O-NH1 3.11Å; L95-R247 PolarHBondContact O-NH2 2.72Å; S99-R247 VanDerWaalsContact CB-CZ 3.46Å; S99-R247 PolarHBondContact OG-NH1 3.07Å; H243-R247 WeakPolarHBondContact O-CD 3.42Å; H243-R247 WeakPolarHBondContact O-CG 3.21Å; H243-R247 PolarHBondContact O-N 3.34Å; A244-R247 PolarHBondContact O-N 3.47Å; G245-R247 VanDerWaalsContact C-N 3.31Å; G245-R247 PolarHBondContact O-N 2.95Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 2.86Å; R247-L251 PolarHBondContact O-N 2.85Å
248L93.4Very high89.5Confident0 Ų033.1 Ų33.10%021%0.212CC..Hα-helixtrans-67.4-41.5177.2-173.764000110.7I224 A226 A244 G245 H250 L251 L252 V262 V264 A285I224-L248 HydrophobicContact CG2-CD2 4.3Å; A226-L248 HydrophobicContact CB-CB 3.89Å; A226-L248 HydrophobicContact CB-CD2 3.87Å; A226-L248 HydrophobicContact CB-CG 3.7Å; A244-L248 WeakPolarHBondContact O-CB 3.27Å; A244-L248 PolarHBondContact O-N 3.38Å; G245-L248 PolarHBondContact O-N 3.23Å; L248-H250 VanDerWaalsContact C-N 3.32Å; L248-H250 PolarHBondContact O-N 2.99Å; L248-L251 WeakPolarHBondContact O-CB 3.33Å; L248-L251 PolarHBondContact O-N 3.47Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.9Å; L248-L252 VanDerWaalsContact O-N 3.15Å; L248-V262 HydrophobicContact CD1-CG1 4.29Å; L248-V262 HydrophobicContact CD2-CB 4.38Å; L248-V262 HydrophobicContact CD2-CG1 4.12Å; L248-V264 HydrophobicContact CD1-CG2 4.24Å; L248-V264 HydrophobicContact CD2-CG2 3.99Å; L248-A285 HydrophobicContact CD1-CB 3.45Å; L248-A285 VanDerWaalsContact CD1-CB 3.45Å
249L94.2Very high89.7Confident31 Ų3132.7 Ų32.716%0.16221%0.21CC..Hα-helixtrans-63.5-39.7173.2176.558.3000112A226 R228 A234 C236 G245 G246 L251 L252 T253A226-L249 HydrophobicContact CB-CB 3.83Å; R228-L249 HydrophobicContact CB-CD1 4.42Å; A234-L249 HydrophobicContact CB-CD1 3.73Å; A234-L249 HydrophobicContact CB-CD2 4.47Å; C236-L249 HydrophobicContact CB-CB 4.02Å; C236-L249 HydrophobicContact CB-CD2 4.18Å; G245-L249 WeakPolarHBondContact O-CB 3.23Å; G245-L249 PolarHBondContact O-N 3.46Å; G246-L249 PolarHBondContact O-N 2.64Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.15Å; L249-L252 PolarHBondContact O-N 3.05Å; L249-T253 WeakPolarHBondContact O-CB 3.49Å; L249-T253 PolarHBondContact O-N 3.13Å; L249-T253 PolarHBondContact O-OG1 3.24Å
250H90.2Very high89.9Confident30 Ų3031.2 Ų31.214%0.13920%0.202CC..Hα-helixtrans-60.4-43174.2-174.164.1000111.3T112 G246 R247 L248 L252 T253 L254T112-H250 PolarHBondContact OG1-NE2 3.48Å; G246-H250 WeakPolarHBondContact O-CB 3.47Å; G246-H250 PolarHBondContact O-N 3.23Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 2.86Å; L248-H250 VanDerWaalsContact C-N 3.32Å; L248-H250 PolarHBondContact O-N 2.99Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.46Å; H250-T253 WeakPolarHBondContact O-CB 3.37Å; H250-T253 PolarHBondContact O-N 3.44Å; H250-T253 VanDerWaalsContact O-N 3.13Å; H250-L254 VanDerWaalsContact NE2-CD1 3.33Å; H250-L254 WeakPolarHBondContact NE2-CD1 3.27Å; H250-L254 WeakPolarHBondContact O-CG 3.26Å; H250-L254 PolarHBondContact O-N 3.23Å
251L90.3Very high90.5Very high19 Ų1928.4 Ų28.410%0.09917%0.173CC..Hα-helixtrans-55.5-46.3173.1177.1150.6000112.1R247 L248 L249 T253 S255 N282 R286 L289R247-L251 PolarHBondContact O-N 2.85Å; L248-L251 WeakPolarHBondContact O-CB 3.33Å; L248-L251 PolarHBondContact O-N 3.47Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.15Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 3.41Å; L251-S255 WeakPolarHBondContact O-CB 3.11Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; L251-N282 HydrophobicContact CD1-CB 3.78Å; L251-N282 WeakPolarHBondContact CD1-O 3.27Å; L251-R286 HydrophobicContact CD1-CB 4.26Å; L251-L289 HydrophobicContact CD2-CD1 3.79Å
252L90.6Very high90.9Very high0 Ų027.9 Ų27.90%017%0.171CC..Hα-helixtrans-62.4-40.6177.2-61.5179.4000112.1A226 L248 L249 H250 S255 G256 I257 V260 V262 L289A226-L252 HydrophobicContact CB-CD1 3.96Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.9Å; L248-L252 VanDerWaalsContact O-N 3.15Å; L249-L252 PolarHBondContact O-N 3.05Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.46Å; L252-S255 PolarHBondContact O-N 2.97Å; L252-G256 PolarHBondContact O-N 3.33Å; L252-I257 HydrophobicContact CD2-CD1 4.27Å; L252-I257 PolarHBondContact O-N 2.7Å; L252-V260 HydrophobicContact CD1-CG1 4.04Å; L252-V260 HydrophobicContact CD2-CG1 3.97Å; L252-V260 HydrophobicContact CG-CG1 4.47Å; L252-V262 HydrophobicContact CD1-CG2 4.36Å; L252-V262 HydrophobicContact CD2-CG2 3.87Å; L252-L289 HydrophobicContact CD2-CD1 3.69Å
253T90.2Very high91.6Very high47 Ų4724.1 Ų24.129%0.28815%0.147SC..Hα-helixtrans-65.8-49.1-179.5-57.40000111.2L249 H250 L251 S255 G256L249-T253 WeakPolarHBondContact O-CB 3.49Å; L249-T253 PolarHBondContact O-N 3.13Å; L249-T253 PolarHBondContact O-OG1 3.24Å; H250-T253 WeakPolarHBondContact O-CB 3.37Å; H250-T253 PolarHBondContact O-N 3.44Å; H250-T253 VanDerWaalsContact O-N 3.13Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 3.41Å; T253-S255 VanDerWaalsContact C-N 3.27Å; T253-S255 PolarHBondContact O-N 3.37Å; T253-G256 PolarHBondContact O-N 3.16Å
254L86Confident92.3Very high40 Ų4020.6 Ų20.621%0.20913%0.131CC..Hα-helixtrans-65.2-34177.8-66.3-159.5000112.8M108 E111 H250 G256M108-L254 HydrophobicContact CE-CD1 3.46Å; M108-L254 VanDerWaalsContact CE-CD1 3.46Å; M108-L254 HydrophobicContact SD-CD1 3.56Å; M108-L254 VanDerWaalsContact SD-CD1 3.56Å; E111-L254 HydrophobicContact CB-CD1 3.66Å; E111-L254 HydrophobicContact CB-CD2 3.52Å; E111-L254 HydrophobicContact CB-CG 4.22Å; E111-L254 HydrophobicContact CG-CD1 4.29Å; E111-L254 HydrophobicContact CG-CD2 4.28Å; H250-L254 VanDerWaalsContact NE2-CD1 3.33Å; H250-L254 WeakPolarHBondContact NE2-CD1 3.27Å; H250-L254 WeakPolarHBondContact O-CG 3.26Å; H250-L254 PolarHBondContact O-N 3.23Å; L254-G256 PolarHBondContact O-N 3.34Å
255S87.4Confident92.8Very high44 Ų4420.6 Ų20.631%0.30813%0.131SC..THydrogen-bonded Turntrans-73.4-5.1175.6-64.50000113.2L251 L252 T253 I257L251-S255 WeakPolarHBondContact O-CB 3.11Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; L252-S255 PolarHBondContact O-N 2.97Å; T253-S255 VanDerWaalsContact C-N 3.27Å; T253-S255 PolarHBondContact O-N 3.37Å; S255-I257 PolarHBondContact O-N 3.48Å
256G88.2Confident93.1Very high52 Ų5221 Ų2154%0.53613%0.133SC..THydrogen-bonded Turntrans66.213.7-178.100000114.5L252 T253 L254 E258L252-G256 PolarHBondContact O-N 3.33Å; T253-G256 PolarHBondContact O-N 3.16Å; L254-G256 PolarHBondContact O-N 3.34Å; G256-E258 PolarHBondContact O-N 2.94Å
257I89.8Confident93.5Very high9 Ų921.3 Ų21.35%0.04612%0.123CC..  trans-81.8123.9-171.3-48.1169.8000109.3R228 L252 S255 V260 L289 F294 L295R228-I257 WeakPolarHBondContact CD-O 3.35Å; R228-I257 VanDerWaalsContact NH1-C 3.32Å; R228-I257 PolarHBondContact NH1-O 3.5Å; L252-I257 HydrophobicContact CD2-CD1 4.27Å; L252-I257 PolarHBondContact O-N 2.7Å; S255-I257 PolarHBondContact O-N 3.48Å; I257-V260 HydrophobicContact CB-CG1 4.14Å; I257-V260 HydrophobicContact CG2-CB 3.87Å; I257-V260 HydrophobicContact CG2-CG1 3.53Å; I257-V260 HydrophobicContact CG2-CG2 4.42Å; I257-L289 HydrophobicContact CD1-CB 4.38Å; I257-L289 HydrophobicContact CD1-CD1 3.9Å; I257-L289 HydrophobicContact CD1-CD2 4.2Å; I257-L289 HydrophobicContact CD1-CG 4.4Å; I257-F294 HydrophobicContact CD1-CB 4.38Å; I257-F294 HydrophobicContact CG2-CB 4.07Å; I257-F294 HydrophobicContact CG2-CD1 4.17Å; I257-L295 HydrophobicContact CD1-CD1 4.17Å; I257-L295 HydrophobicContact CD1-CD2 3.75Å; I257-L295 HydrophobicContact CD1-CG 3.6Å; I257-L295 HydrophobicContact CG1-CD2 3.99Å; I257-L295 HydrophobicContact CG1-CG 4.27Å
258E94.2Very high93.5Very high69 Ų6924.9 Ų24.932%0.32214%0.139SC..  trans-115.4164.4173.3-69.8-169.3164.200110.6R197 R228 S231 G256R197-E258 PolarHBondContact NH1-O 3.14Å; R228-E258 IonicContact CZ-OE1 3.8Å; R228-E258 IonicContact NH1-OE1 2.73Å; R228-E258 IonicContact NH2-OE1 3.93Å; R228-E258 PolarHBondContact NH2-OE1 2.84Å; R228-E258 CarbonylContact O-C 3.47Å; S231-E258 PolarHBondContact N-OE1 3.47Å; S231-E258 PolarHBondContact OG-OE1 3.37Å; G256-E258 PolarHBondContact O-N 2.94Å
259N96.4Very high93.4Very high37 Ų3725.9 Ų25.920%0.19815%0.149CC..SBendtrans47.553.8-172.9-37-97.2000114R197 A198 S199 R228 I229R197-N259 VanDerWaalsContact NH1-CB 3.33Å; R197-N259 PolarHBondContact NH1-O 2.92Å; A198-N259 PolarHBondContact N-O 3.04Å; A198-N259 CarbonylContact O-C 3.52Å; A198-N259 WeakPolarHBondContact O-CA 3.4Å; A198-N259 WeakPolarHBondContact O-CB 3.28Å; S199-N259 WeakPolarHBondContact CA-OD1 3.43Å; S199-N259 WeakPolarHBondContact CB-OD1 3.47Å; S199-N259 WeakPolarHBondContact OG-CB 3.45Å; S199-N259 PolarHBondContact OG-OD1 2.88Å; R228-N259 VanDerWaalsContact O-CA 3.31Å; R228-N259 WeakPolarHBondContact O-CA 3.46Å; R228-N259 PolarHBondContact O-N 3.43Å; I229-N259 VanDerWaalsContact O-CG 3.32Å; I229-N259 PolarHBondContact O-N 3.47Å; I229-N259 PolarHBondContact O-OD1 3.01Å
260V97.4Very high93.2Very high0 Ų027.1 Ų27.10%017%0.17CC..EExtended strand (participates in β ladder)trans-135.7143.2179.967.90000110.9A196 A198 W227 R228 L252 I257 V262 L289 F294A196-V260 WeakPolarHBondContact O-CA 3.4Å; A198-V260 PolarHBondContact O-N 3.39Å; W227-V260 CarbonylContact C-O 3.42Å; W227-V260 VanDerWaalsContact CA-O 3.27Å; W227-V260 WeakPolarHBondContact CA-O 3.29Å; W227-V260 WeakPolarHBondContact CB-O 3.44Å; R228-V260 PolarHBondContact N-O 3.34Å; R228-V260 PolarHBondContact O-N 3.35Å; L252-V260 HydrophobicContact CD1-CG1 4.04Å; L252-V260 HydrophobicContact CD2-CG1 3.97Å; L252-V260 HydrophobicContact CG-CG1 4.47Å; I257-V260 HydrophobicContact CB-CG1 4.14Å; I257-V260 HydrophobicContact CG2-CB 3.87Å; I257-V260 HydrophobicContact CG2-CG1 3.53Å; I257-V260 HydrophobicContact CG2-CG2 4.42Å; V260-V262 HydrophobicContact CG2-CG2 3.98Å; V260-L289 HydrophobicContact CG2-CD2 3.84Å; V260-F294 HydrophobicContact CB-CD1 4Å; V260-F294 HydrophobicContact CB-CE1 4.09Å; V260-F294 HydrophobicContact CG2-CD1 3.64Å; V260-F294 HydrophobicContact CG2-CE1 3.7Å; V260-F294 HydrophobicContact CG2-CG 4.39Å
261A97.8Very high93.1Very high0 Ų029.1 Ų29.10%018%0.181CC..EExtended strand (participates in β ladder)trans-121137.5164.600000109.1C195 A196 A198 V204 F207 W227C195-A261 CarbonylContact C-O 3.41Å; C195-A261 WeakPolarHBondContact CA-O 3.5Å; A196-A261 PolarHBondContact N-O 2.93Å; A196-A261 PolarHBondContact O-N 3.04Å; A198-A261 HydrophobicContact CB-CB 4.15Å; V204-A261 HydrophobicContact CG1-CB 4.38Å; V204-A261 HydrophobicContact CG2-CB 4.44Å; F207-A261 HydrophobicContact CD1-CB 3.5Å; F207-A261 VanDerWaalsContact CD1-CB 3.5Å; F207-A261 HydrophobicContact CE1-CB 3.7Å; F207-A261 HydrophobicContact CG-CB 4.05Å; F207-A261 HydrophobicContact CZ-CB 4.37Å; W227-A261 HydrophobicContact CB-CB 3.84Å
262V98.1Very high92.8Very high0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-131.7131.1178.9-1760000109.2H194 C195 A226 L248 L252 V260 V264 A285 L289H194-V262 CarbonylContact O-C 3.58Å; H194-V262 VanDerWaalsContact O-CA 3.32Å; H194-V262 WeakPolarHBondContact O-CA 3.35Å; C195-V262 HydrophobicContact CB-CG2 3.97Å; A226-V262 PolarHBondContact N-O 2.94Å; A226-V262 PolarHBondContact O-N 2.93Å; A226-V262 VanDerWaalsContact O-O 3.05Å; L248-V262 HydrophobicContact CD1-CG1 4.29Å; L248-V262 HydrophobicContact CD2-CB 4.38Å; L248-V262 HydrophobicContact CD2-CG1 4.12Å; L252-V262 HydrophobicContact CD1-CG2 4.36Å; L252-V262 HydrophobicContact CD2-CG2 3.87Å; V260-V262 HydrophobicContact CG2-CG2 3.98Å; V262-V264 HydrophobicContact CG1-CG2 4.33Å; V262-A285 HydrophobicContact CG1-CB 4.04Å; V262-L289 HydrophobicContact CG2-CD1 4.34Å; V262-L289 HydrophobicContact CG2-CD2 3.97Å; V262-L289 HydrophobicContact CG2-CG 4.45Å
263M98.4Very high92.5Very high0 Ų036.6 Ų36.60%022%0.215CC..EExtended strand (participates in β ladder)trans-119.9132169.9-178.1179.2-7200108.8V156 A193 H194 F207 I208 L211 V217 N223 I224 L225V156-M263 HydrophobicContact CG2-CE 4.3Å; A193-M263 CarbonylContact C-O 3.6Å; A193-M263 WeakPolarHBondContact CA-O 3.47Å; H194-M263 PolarHBondContact N-O 2.86Å; H194-M263 PolarHBondContact O-N 3.14Å; F207-M263 HydrophobicContact CE1-CB 3.97Å; F207-M263 HydrophobicContact CZ-CB 3.94Å; I208-M263 HydrophobicContact CB-CE 4.46Å; I208-M263 HydrophobicContact CG1-CE 4.4Å; I208-M263 HydrophobicContact CG2-CE 4.05Å; L211-M263 HydrophobicContact CB-SD 4.15Å; L211-M263 HydrophobicContact CD1-CB 3.76Å; L211-M263 HydrophobicContact CD1-CE 4.17Å; L211-M263 HydrophobicContact CD1-CG 4.29Å; L211-M263 HydrophobicContact CD1-SD 3.66Å; V217-M263 HydrophobicContact CG1-SD 4.04Å; N223-M263 HydrophobicContact CB-CE 4.43Å; N223-M263 HydrophobicContact CB-CG 4.23Å; N223-M263 HydrophobicContact CB-SD 3.86Å; I224-M263 CarbonylContact O-C 3.58Å; I224-M263 VanDerWaalsContact O-CA 3.23Å; I224-M263 WeakPolarHBondContact O-CA 3.31Å; L225-M263 HydrophobicContact CD1-CB 4.48Å; L225-M263 HydrophobicContact CD1-CE 4.39Å
264V98.4Very high92.3Very high0 Ų036.1 Ų36.10%022%0.22CC..EExtended strand (participates in β ladder)trans-114.2110.9171.5-177.80000109.1Q192 A193 I224 L248 V262 I281 V284 A285Q192-V264 WeakPolarHBondContact O-CA 3.37Å; A193-V264 HydrophobicContact CB-CG2 4.28Å; I224-V264 PolarHBondContact N-O 3.04Å; I224-V264 PolarHBondContact O-N 3Å; L248-V264 HydrophobicContact CD1-CG2 4.24Å; L248-V264 HydrophobicContact CD2-CG2 3.99Å; V262-V264 HydrophobicContact CG1-CG2 4.33Å; V264-I281 HydrophobicContact CB-CG2 4.11Å; V264-I281 HydrophobicContact CG1-CB 4.35Å; V264-I281 HydrophobicContact CG1-CG1 4.17Å; V264-I281 HydrophobicContact CG1-CG2 4.13Å; V264-I281 HydrophobicContact CG2-CG2 4.11Å; V264-V284 HydrophobicContact CG1-CG2 3.75Å; V264-V284 HydrophobicContact CG2-CG2 4.33Å; V264-A285 HydrophobicContact CG2-CB 4.04Å
265S98.2Very high92.1Very high0 Ų036.8 Ų36.80%023%0.226CC..EExtended strand (participates in β ladder)trans-84.1124177.5-48.50000109F191 Q192 H194 H222 N223 W267F191-S265 CarbonylContact C-O 3.56Å; F191-S265 WeakPolarHBondContact CA-O 3.39Å; Q192-S265 PolarHBondContact N-O 2.98Å; Q192-S265 PolarHBondContact O-N 2.89Å; H194-S265 PolarHBondContact CD2-OG 2.84Å; H194-S265 PolarHBondContact NE2-OG 3.1Å; H222-S265 CarbonylContact O-C 3.58Å; H222-S265 WeakPolarHBondContact O-CA 3.48Å; N223-S265 WeakPolarHBondContact OD1-CB 3.46Å; N223-S265 PolarHBondContact OD1-OG 2.91Å; N223-S265 VanDerWaalsContact OD1-OG 3.14Å; S265-W267 WeakPolarHBondContact O-CZ3 3.14Å
266R97.8Very high91.9Very high10 Ų1036.9 Ų36.94%0.03822%0.223CC..EExtended strand (participates in β ladder)trans-115.7125.7174.1-172.2-169.5-178.3-163.6-6.4110.6I190 F191 T221 H222 E241I190-R266 CarbonylContact O-C 3.56Å; I190-R266 VanDerWaalsContact O-CA 3.3Å; I190-R266 WeakPolarHBondContact O-CA 3.37Å; F191-R266 HydrophobicContact CD1-CB 4.12Å; F191-R266 HydrophobicContact CD1-CG 3.78Å; F191-R266 HydrophobicContact CE1-CB 4.21Å; F191-R266 VanDerWaalsContact CE1-CD 3.44Å; F191-R266 HydrophobicContact CE1-CG 3.49Å; F191-R266 VanDerWaalsContact CE1-CG 3.49Å; F191-R266 HydrophobicContact CG-CG 4.49Å; F191-R266 HydrophobicContact CZ-CG 3.96Å; T221-R266 WeakPolarHBondContact CA-O 3.35Å; T221-R266 WeakPolarHBondContact CB-O 3.33Å; T221-R266 PolarHBondContact N-O 3.33Å; H222-R266 PolarHBondContact N-O 3.07Å; H222-R266 VanDerWaalsContact N-O 3.16Å; H222-R266 PolarHBondContact O-N 2.75Å; E241-R266 IonicContact OE1-NH1 3.74Å; E241-R266 PolarHBondContact OE1-NH1 2.88Å; E241-R266 WeakPolarHBondContact OE2-CD 3.42Å; E241-R266 IonicContact OE2-CZ 3.58Å; E241-R266 IonicContact OE2-NE 3.84Å; E241-R266 IonicContact OE2-NH1 2.81Å; E241-R266 PolarHBondContact OE2-NH1 3.19Å
267W96.3Very high92Very high42 Ų4236.4 Ų36.416%0.15921%0.205CC..EExtended strand (participates in β ladder)trans-102.5116.6166.9-59.8-95.9000108.7S189 I190 Q192 K216 A220 S265 G269S189-W267 CarbonylContact C-O 3.55Å; S189-W267 WeakPolarHBondContact CA-O 3.31Å; I190-W267 HydrophobicContact CB-CB 4.38Å; I190-W267 HydrophobicContact CB-CE3 3.88Å; I190-W267 HydrophobicContact CG2-CE3 3.78Å; I190-W267 HydrophobicContact CG2-CZ3 4.09Å; I190-W267 PolarHBondContact N-O 3.37Å; I190-W267 PolarHBondContact O-N 2.9Å; Q192-W267 HydrophobicContact CB-CH2 4.11Å; Q192-W267 HydrophobicContact CB-CZ3 3.79Å; K216-W267 HydrophobicContact CD-CZ2 4.49Å; K216-W267 HydrophobicContact CG-CZ2 3.85Å; K216-W267 VanDerWaalsContact O-CZ2 3.27Å; K216-W267 WeakPolarHBondContact O-CZ2 3.34Å; K216-W267 PolarHBondContact O-NE1 3.49Å; K216-W267 VanDerWaalsContact O-NE1 3.07Å; A220-W267 HydrophobicContact CB-CD2 4.24Å; A220-W267 HydrophobicContact CB-CG 4.48Å; A220-W267 HydrophobicContact CB-CZ2 4.05Å; S265-W267 WeakPolarHBondContact O-CZ3 3.14Å; W267-G269 PolarHBondContact O-N 3.04Å
268F91.1Very high92Very high92 Ų9236.5 Ų36.540%0.40421%0.205SC..  trans-72.7126-177.4179.7-120.1000111.8T221 G270 I271T221-F268 HydrophobicContact CG2-CB 3.94Å; T221-F268 PolarHBondContact OG1-N 2.71Å; F268-G270 VanDerWaalsContact CZ-C 3.44Å; F268-G270 PolarHBondContact O-N 3.46Å; F268-I271 WeakPolarHBondContact CE2-O 3.32Å
269G91.2Very high91.8Very high21 Ų2135.9 Ų35.922%0.21620%0.202CC..  trans-84.31.3-176.800000116.6K188 S189 W267K188-G269 WeakPolarHBondContact CB-O 3.29Å; K188-G269 WeakPolarHBondContact O-CA 3.33Å; S189-G269 PolarHBondContact OG-N 3.14Å; S189-G269 VanDerWaalsContact OG-N 3.16Å; W267-G269 PolarHBondContact O-N 3.04Å
270G89.3Confident91.7Very high58 Ų5835.8 Ų35.860%0.59820%0.2SC*.SBendtrans88.7-2.7-173.600000115F268F268-G270 VanDerWaalsContact CZ-C 3.44Å; F268-G270 PolarHBondContact O-N 3.46Å
271I87.4Confident91.5Very high72 Ų7235.8 Ų35.837%0.36920%0.2SC..SBendtrans-117127.1179-58.5172.2000108.9R187 F268 L273R187-I271 HydrophobicContact CB-CB 4.12Å; R187-I271 HydrophobicContact CB-CD1 4.09Å; R187-I271 HydrophobicContact CB-CG2 4.05Å; R187-I271 HydrophobicContact CG-CG2 4.39Å; F268-I271 WeakPolarHBondContact CE2-O 3.32Å; I271-L273 WeakPolarHBondContact O-CD1 3.48Å; I271-L273 PolarHBondContact O-N 3.3Å
272Q84.5Confident91.3Very high171 Ų17137.5 Ų37.580%0.79921%0.209SC*.  trans-69.7119.3176.8-68-176.2-8.100110.6G274Q272-G274 VanDerWaalsContact C-N 3.33Å
273L84.4Confident91Very high5 Ų540.2 Ų40.23%0.02622%0.224CC..  trans-82.7-13.3177.6-85.358.5000112.5D186 R187 S189 F191 I271 D276 R277D186-L273 HydrophobicContact CB-CD2 4.49Å; R187-L273 HydrophobicContact CB-CD1 3.96Å; S189-L273 WeakPolarHBondContact OG-CD1 3.42Å; F191-L273 HydrophobicContact CE2-CD2 3.6Å; F191-L273 HydrophobicContact CZ-CD2 3.51Å; I271-L273 WeakPolarHBondContact O-CD1 3.48Å; I271-L273 PolarHBondContact O-N 3.3Å; L273-D276 HydrophobicContact CB-CB 4.44Å; L273-D276 WeakPolarHBondContact O-CB 3.08Å; L273-D276 PolarHBondContact O-N 3.28Å; L273-R277 HydrophobicContact CB-CB 4.09Å; L273-R277 HydrophobicContact CD2-CB 4.39Å
274G85.1Confident91Very high37 Ų3740.7 Ų40.738%0.38123%0.226SC..THydrogen-bonded Turntrans58.6-136.3-172.800000110.6Q272 D276 R277Q272-G274 VanDerWaalsContact C-N 3.33Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3Å; G274-R277 VanDerWaalsContact O-CD 3.26Å; G274-R277 WeakPolarHBondContact O-CD 3.4Å; G274-R277 WeakPolarHBondContact O-CG 3.38Å; G274-R277 PolarHBondContact O-NE 3.26Å
275P83.4Confident90.9Very high54 Ų5440.7 Ų40.735%0.35123%0.227SC..THydrogen-bonded Turntrans-68.7-20.6179.9-18.631.2000115.6S98 R277 F278S98-P275 WeakPolarHBondContact O-CB 3.38Å; S98-P275 WeakPolarHBondContact O-CG 3.43Å; P275-R277 PolarHBondContact O-N 2.91Å; P275-R277 VanDerWaalsContact O-N 3.12Å; P275-F278 HydrophobicContact CB-CD2 4.46Å; P275-F278 WeakPolarHBondContact O-CB 3.4Å; P275-F278 WeakPolarHBondContact O-CD2 3.34Å; P275-F278 PolarHBondContact O-N 3.01Å
276D82.5Confident90.6Very high46 Ų4645.3 Ų45.325%0.24624%0.244CC..Hα-helixtrans-58.5-29.2-179.5-65.9-27.2000112.6R187 L273 G274 F278 K279 H280R187-D276 IonicContact CZ-OD2 3.59Å; R187-D276 IonicContact NH1-OD2 2.64Å; R187-D276 IonicContact NH2-OD2 2.9Å; R187-D276 PolarHBondContact NH2-OD2 2.98Å; L273-D276 HydrophobicContact CB-CB 4.44Å; L273-D276 WeakPolarHBondContact O-CB 3.08Å; L273-D276 PolarHBondContact O-N 3.28Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3Å; D276-F278 PolarHBondContact O-N 2.8Å; D276-K279 WeakPolarHBondContact O-CB 3.44Å; D276-K279 PolarHBondContact O-N 3.5Å; D276-K279 VanDerWaalsContact O-N 3.09Å; D276-K279 IonicContact OD1-NZ 3.6Å; D276-K279 PolarHBondContact OD1-NZ 3.16Å; D276-H280 PolarHBondContact O-CD2 3.05Å; D276-H280 PolarHBondContact O-N 2.69Å
277R90.9Very high90.5Very high41 Ų4148.9 Ų48.916%0.15526%0.264CS..Hα-helixtrans-52.9-40.4174.572.9-166.8171.588.4-9.5111.8F191 E241 T242 L273 G274 P275 H280 I281F191-R277 HydrophobicContact CE1-CB 4.29Å; F191-R277 HydrophobicContact CZ-CB 4.13Å; E241-R277 WeakPolarHBondContact OE1-CD 3.34Å; E241-R277 IonicContact OE1-CZ 3.67Å; E241-R277 IonicContact OE1-NE 3.2Å; E241-R277 PolarHBondContact OE1-NE 2.95Å; E241-R277 IonicContact OE1-NH1 3.59Å; E241-R277 PolarHBondContact OE1-NH1 3.34Å; E241-R277 IonicContact OE1-NH2 2.69Å; T242-R277 PolarHBondContact O-NH1 3.21Å; T242-R277 PolarHBondContact O-NH2 3.48Å; L273-R277 HydrophobicContact CB-CB 4.09Å; L273-R277 HydrophobicContact CD2-CB 4.39Å; G274-R277 VanDerWaalsContact O-CD 3.26Å; G274-R277 WeakPolarHBondContact O-CD 3.4Å; G274-R277 WeakPolarHBondContact O-CG 3.38Å; G274-R277 PolarHBondContact O-NE 3.26Å; P275-R277 PolarHBondContact O-N 2.91Å; P275-R277 VanDerWaalsContact O-N 3.12Å; R277-H280 PolarHBondContact O-N 2.66Å; R277-I281 VanDerWaalsContact O-CD1 3.24Å; R277-I281 WeakPolarHBondContact O-CD1 3.41Å; R277-I281 WeakPolarHBondContact O-CG1 3.36Å; R277-I281 PolarHBondContact O-N 2.9Å
278F88.9Confident90.5Very high12 Ų1247 Ų475%0.05326%0.257CS..Hα-helixtrans-69.9-37.1-178.4-60.9-63000111.8T242 H243 A244 P275 D276 H280 I281 N282T242-F278 WeakPolarHBondContact O-CZ 3.34Å; H243-F278 HydrophobicContact CB-CE1 4.37Å; H243-F278 HydrophobicContact CB-CZ 4.31Å; A244-F278 HydrophobicContact CB-CD1 4.29Å; A244-F278 HydrophobicContact CB-CE1 4.11Å; P275-F278 HydrophobicContact CB-CD2 4.46Å; P275-F278 WeakPolarHBondContact O-CB 3.4Å; P275-F278 WeakPolarHBondContact O-CD2 3.34Å; P275-F278 PolarHBondContact O-N 3.01Å; D276-F278 PolarHBondContact O-N 2.8Å; F278-H280 VanDerWaalsContact C-N 3.33Å; F278-I281 HydrophobicContact CD1-CD1 4.43Å; F278-I281 PolarHBondContact O-N 3.35Å; F278-N282 WeakPolarHBondContact O-CB 3.34Å; F278-N282 PolarHBondContact O-N 2.69Å
279K89.7Confident90.6Very high55 Ų5542.6 Ų42.624%0.23924%0.237CC..Hα-helixtrans-62.4-44.6173.7-57.7-169.8-157.7124.80110.9S99 L101 D276 N282 N283S99-K279 WeakPolarHBondContact O-CE 3.26Å; S99-K279 WeakPolarHBondContact O-CG 3.27Å; L101-K279 WeakPolarHBondContact O-CE 3.4Å; L101-K279 PolarHBondContact O-NZ 3.47Å; D276-K279 WeakPolarHBondContact O-CB 3.44Å; D276-K279 PolarHBondContact O-N 3.5Å; D276-K279 VanDerWaalsContact O-N 3.09Å; D276-K279 IonicContact OD1-NZ 3.6Å; D276-K279 PolarHBondContact OD1-NZ 3.16Å; K279-N282 PolarHBondContact O-N 3.29Å; K279-N283 WeakPolarHBondContact O-CB 3.31Å; K279-N283 PolarHBondContact O-N 3.04Å
280H93.9Very high90.7Very high35 Ų3543.7 Ų43.716%0.16224%0.238CC..Hα-helixtrans-60.5-49.5177.4-65.7-28.5000111L184 D186 F191 D276 R277 F278 N282 N283 V284L184-H280 HydrophobicContact CD2-CB 3.77Å; L184-H280 WeakPolarHBondContact CD2-ND1 3.43Å; D186-H280 WeakPolarHBondContact CB-NE2 3.1Å; D186-H280 IonicContact OD2-CD2 2.89Å; D186-H280 IonicContact OD2-CE1 3.56Å; D186-H280 IonicContact OD2-NE2 2.74Å; D186-H280 PolarHBondContact OD2-NE2 3.19Å; F191-H280 HydrophobicContact CD1-CB 4.04Å; F191-H280 HydrophobicContact CD2-CB 3.84Å; F191-H280 HydrophobicContact CE1-CB 4.03Å; F191-H280 HydrophobicContact CE2-CB 3.86Å; F191-H280 AromaticContact CE2-CD2 3.65Å; F191-H280 HydrophobicContact CG-CB 3.94Å; F191-H280 HydrophobicContact CZ-CB 3.94Å; F191-H280 AromaticContact CZ-CD2 3.99Å; D276-H280 PolarHBondContact O-CD2 3.05Å; D276-H280 PolarHBondContact O-N 2.69Å; R277-H280 PolarHBondContact O-N 2.66Å; F278-H280 VanDerWaalsContact C-N 3.33Å; H280-N282 PolarHBondContact O-N 3.08Å; H280-N283 PolarHBondContact O-N 2.8Å; H280-V284 WeakPolarHBondContact O-CG1 3.44Å; H280-V284 WeakPolarHBondContact O-CG2 3.24Å; H280-V284 PolarHBondContact O-N 3.22Å
281I94.1Very high90.9Very high1 Ų146.8 Ų46.81%0.00524%0.236CC..Hα-helixtrans-54.2-53.6177.3-69.6156.3000111.1F191 I224 E241 A244 V264 R277 F278 N283 V284 A285F191-I281 HydrophobicContact CD1-CG1 3.82Å; F191-I281 HydrophobicContact CE1-CD1 4.31Å; F191-I281 HydrophobicContact CE1-CG1 3.85Å; I224-I281 HydrophobicContact CD1-CD1 3.48Å; I224-I281 VanDerWaalsContact CD1-CD1 3.48Å; I224-I281 HydrophobicContact CD1-CG1 3.82Å; I224-I281 HydrophobicContact CD1-CG2 4.33Å; E241-I281 HydrophobicContact CG-CD1 4.33Å; A244-I281 HydrophobicContact CB-CD1 3.99Å; V264-I281 HydrophobicContact CB-CG2 4.11Å; V264-I281 HydrophobicContact CG1-CB 4.35Å; V264-I281 HydrophobicContact CG1-CG1 4.17Å; V264-I281 HydrophobicContact CG1-CG2 4.13Å; V264-I281 HydrophobicContact CG2-CG2 4.11Å; R277-I281 VanDerWaalsContact O-CD1 3.24Å; R277-I281 WeakPolarHBondContact O-CD1 3.41Å; R277-I281 WeakPolarHBondContact O-CG1 3.36Å; R277-I281 PolarHBondContact O-N 2.9Å; F278-I281 HydrophobicContact CD1-CD1 4.43Å; F278-I281 PolarHBondContact O-N 3.35Å; I281-N283 PolarHBondContact O-N 3.38Å; I281-V284 WeakPolarHBondContact O-CG2 3.36Å; I281-A285 WeakPolarHBondContact O-CB 3.48Å; I281-A285 PolarHBondContact O-N 2.83Å
282N93.7Very high91.2Very high35 Ų3546.1 Ų46.119%0.18723%0.232CC..Hα-helixtrans-66.1-39.4-179.2-76.9-6.3000112.1L251 F278 K279 H280 A285 R286L251-N282 HydrophobicContact CD1-CB 3.78Å; L251-N282 WeakPolarHBondContact CD1-O 3.27Å; F278-N282 WeakPolarHBondContact O-CB 3.34Å; F278-N282 PolarHBondContact O-N 2.69Å; K279-N282 PolarHBondContact O-N 3.29Å; H280-N282 PolarHBondContact O-N 3.08Å; N282-A285 PolarHBondContact O-N 3.36Å; N282-R286 VanDerWaalsContact O-CB 3.23Å; N282-R286 WeakPolarHBondContact O-CB 3.46Å; N282-R286 PolarHBondContact O-N 3.21Å
283N92.8Very high91.4Very high58 Ų5846.8 Ų46.831%0.3123%0.232SC..Hα-helixtrans-67.9-46.2-178.1-17452000111.9K279 H280 I281 A285 R286 L287K279-N283 WeakPolarHBondContact O-CB 3.31Å; K279-N283 PolarHBondContact O-N 3.04Å; H280-N283 PolarHBondContact O-N 2.8Å; I281-N283 PolarHBondContact O-N 3.38Å; N283-A285 VanDerWaalsContact C-N 3.3Å; N283-A285 PolarHBondContact O-N 3.02Å; N283-R286 PolarHBondContact O-N 2.79Å; N283-R286 PolarHBondContact OD1-NH2 3.32Å; N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 VanDerWaalsContact O-CG 3.28Å; N283-L287 WeakPolarHBondContact O-CG 3.39Å; N283-L287 PolarHBondContact O-N 3.28Å
284V97.1Very high91.5Very high9 Ų948.1 Ų48.16%0.05524%0.238CC..Hα-helixtrans-63.7-38.3177.7-61.80000111.4L184 F191 A193 V264 H280 I281 L288L184-V284 HydrophobicContact CB-CG1 3.59Å; L184-V284 HydrophobicContact CD2-CG1 3.93Å; L184-V284 HydrophobicContact CG-CG1 4.44Å; F191-V284 HydrophobicContact CB-CG1 4.27Å; F191-V284 HydrophobicContact CB-CG2 4.28Å; A193-V284 HydrophobicContact CB-CB 4.13Å; A193-V284 HydrophobicContact CB-CG2 3.97Å; A193-V284 WeakPolarHBondContact CB-O 3.49Å; V264-V284 HydrophobicContact CG1-CG2 3.75Å; V264-V284 HydrophobicContact CG2-CG2 4.33Å; H280-V284 WeakPolarHBondContact O-CG1 3.44Å; H280-V284 WeakPolarHBondContact O-CG2 3.24Å; H280-V284 PolarHBondContact O-N 3.22Å; I281-V284 WeakPolarHBondContact O-CG2 3.36Å; V284-L288 PolarHBondContact O-N 2.95Å
285A96Very high91Very high1 Ų147.8 Ų47.81%0.00823%0.227CC..Hα-helixtrans-63.9-49.6174.600000111.9L248 V262 V264 I281 N282 N283 L287 L288 L289L248-A285 HydrophobicContact CD1-CB 3.45Å; L248-A285 VanDerWaalsContact CD1-CB 3.45Å; V262-A285 HydrophobicContact CG1-CB 4.04Å; V264-A285 HydrophobicContact CG2-CB 4.04Å; I281-A285 WeakPolarHBondContact O-CB 3.48Å; I281-A285 PolarHBondContact O-N 2.83Å; N282-A285 PolarHBondContact O-N 3.36Å; N283-A285 VanDerWaalsContact C-N 3.3Å; N283-A285 PolarHBondContact O-N 3.02Å; A285-L287 PolarHBondContact O-N 3.14Å; A285-L288 PolarHBondContact O-N 2.94Å; A285-L289 WeakPolarHBondContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CD1 3.29Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å
286R93.2Very high89.9Confident96 Ų9650.4 Ų50.436%0.36225%0.247SC..Hα-helixtrans-59.1-46.7179.5-172.1-172.260.475.67.5112.1L251 N282 N283 L288 L289 I290 L295L251-R286 HydrophobicContact CD1-CB 4.26Å; N282-R286 VanDerWaalsContact O-CB 3.23Å; N282-R286 WeakPolarHBondContact O-CB 3.46Å; N282-R286 PolarHBondContact O-N 3.21Å; N283-R286 PolarHBondContact O-N 2.79Å; N283-R286 PolarHBondContact OD1-NH2 3.32Å; R286-L288 VanDerWaalsContact C-N 3.33Å; R286-L288 PolarHBondContact O-N 2.7Å; R286-L289 PolarHBondContact O-N 3Å; R286-I290 HydrophobicContact CG-CD1 4.01Å; R286-I290 WeakPolarHBondContact O-CG1 3.01Å; R286-I290 PolarHBondContact O-N 2.8Å; R286-L295 HydrophobicContact CG-CD1 4.28Å
287L94.3Very high88.3Confident86 Ų8651.9 Ų51.945%0.4525%0.254SS..Hα-helixtrans-58.8-46180-73.4173.3000111.2N283 A285 I290 E291N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 VanDerWaalsContact O-CG 3.28Å; N283-L287 WeakPolarHBondContact O-CG 3.39Å; N283-L287 PolarHBondContact O-N 3.28Å; A285-L287 PolarHBondContact O-N 3.14Å; L287-I290 PolarHBondContact O-N 3.45Å; L287-E291 WeakPolarHBondContact O-CB 3.49Å; L287-E291 PolarHBondContact O-N 3.33Å
288L96.5Very high86.2Confident2 Ų254.8 Ų54.81%0.0129%0.288CS..Hα-helixtrans-65.2-40.8178.4-176.664.2000112.5A193 C195 V284 A285 R286 I290 E291 H292A193-L288 HydrophobicContact CB-CB 4.23Å; A193-L288 HydrophobicContact CB-CD2 3.79Å; C195-L288 HydrophobicContact CB-CD2 3.99Å; V284-L288 PolarHBondContact O-N 2.95Å; A285-L288 PolarHBondContact O-N 2.94Å; R286-L288 VanDerWaalsContact C-N 3.33Å; R286-L288 PolarHBondContact O-N 2.7Å; L288-I290 VanDerWaalsContact C-N 3.32Å; L288-I290 PolarHBondContact O-N 2.73Å; L288-E291 PolarHBondContact O-N 3.13Å; L288-H292 VanDerWaalsContact CD1-CD2 3.4Å; L288-H292 WeakPolarHBondContact CD1-CD2 3.34Å; L288-H292 PolarHBondContact O-CD2 3.47Å; L288-H292 PolarHBondContact O-N 3.19Å; L288-H292 VanDerWaalsContact O-N 3.08Å
289L94.3Very high83.9Confident0 Ų060.9 Ų60.90%032%0.321CS..Hα-helixtrans-64.2-36.5177.6-71.3165.4000112.3C195 L251 L252 I257 V260 V262 A285 R286 K293 F294 L295C195-L289 HydrophobicContact CB-CD2 4.33Å; L251-L289 HydrophobicContact CD2-CD1 3.79Å; L252-L289 HydrophobicContact CD2-CD1 3.69Å; I257-L289 HydrophobicContact CD1-CB 4.38Å; I257-L289 HydrophobicContact CD1-CD1 3.9Å; I257-L289 HydrophobicContact CD1-CD2 4.2Å; I257-L289 HydrophobicContact CD1-CG 4.4Å; V260-L289 HydrophobicContact CG2-CD2 3.84Å; V262-L289 HydrophobicContact CG2-CD1 4.34Å; V262-L289 HydrophobicContact CG2-CD2 3.97Å; V262-L289 HydrophobicContact CG2-CG 4.45Å; A285-L289 WeakPolarHBondContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CD1 3.29Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å; R286-L289 PolarHBondContact O-N 3Å; L289-K293 PolarHBondContact O-N 2.84Å; L289-F294 HydrophobicContact CB-CB 4.24Å; L289-F294 HydrophobicContact CD2-CB 3.71Å; L289-F294 HydrophobicContact CD2-CD1 4.46Å; L289-F294 HydrophobicContact CD2-CD2 4.3Å; L289-F294 HydrophobicContact CD2-CG 3.92Å; L289-F294 WeakPolarHBondContact O-CB 3.41Å; L289-F294 PolarHBondContact O-N 3.35Å; L289-L295 HydrophobicContact CB-CD1 3.76Å; L289-L295 HydrophobicContact CB-CG 4.24Å; L289-L295 PolarHBondContact O-N 3.46Å
290I92.8Very high82Confident43 Ų4364 Ų6422%0.22134%0.34CS..Hα-helixtrans-67.9-47.8173.1-68.1168.1000110.4R286 L287 L288 H292 K293 L295 N297R286-I290 HydrophobicContact CG-CD1 4.01Å; R286-I290 WeakPolarHBondContact O-CG1 3.01Å; R286-I290 PolarHBondContact O-N 2.8Å; L287-I290 PolarHBondContact O-N 3.45Å; L288-I290 VanDerWaalsContact C-N 3.32Å; L288-I290 PolarHBondContact O-N 2.73Å; I290-H292 VanDerWaalsContact C-N 3.27Å; I290-H292 PolarHBondContact O-N 3.38Å; I290-K293 PolarHBondContact O-N 2.86Å; I290-L295 HydrophobicContact CD1-CD1 4.42Å; I290-L295 HydrophobicContact CG1-CB 3.85Å; I290-L295 HydrophobicContact CG1-CD1 3.65Å; I290-L295 HydrophobicContact CG1-CG 4.38Å; I290-N297 WeakPolarHBondContact CG2-OD1 3.49Å
291E93.6Very high79.5Confident123 Ų12370 Ų7058%0.57537%0.373SS*.Hα-helixtrans-55.4-42.6-178.5-177.1173.4-177.600112.1L287 L288L287-E291 WeakPolarHBondContact O-CB 3.49Å; L287-E291 PolarHBondContact O-N 3.33Å; L288-E291 PolarHBondContact O-N 3.13Å
292H93.9Very high76.7Confident58 Ų5877.3 Ų77.327%0.26941%0.412SS..THydrogen-bonded Turntrans-95.418.1179.3-66.1-76.7000114.3Y179 L288 I290 F294Y179-H292 WeakPolarHBondContact CB-NE2 3.46Å; Y179-H292 AromaticContact CD1-CE1 3.27Å; Y179-H292 WeakPolarHBondContact CD1-CE1 3.18Å; Y179-H292 AromaticContact CD1-CG 3.9Å; Y179-H292 AromaticContact CD1-ND1 3.26Å; Y179-H292 VanDerWaalsContact CD1-ND1 3.26Å; Y179-H292 WeakPolarHBondContact CD1-ND1 3.43Å; Y179-H292 AromaticContact CD1-NE2 3.89Å; Y179-H292 HydrophobicContact CD2-CB 4.05Å; Y179-H292 AromaticContact CD2-CG 3.8Å; Y179-H292 AromaticContact CD2-ND1 3.94Å; Y179-H292 AromaticContact CE1-CE1 3.98Å; Y179-H292 AromaticContact CE1-ND1 3.64Å; Y179-H292 HydrophobicContact CE2-CB 4.34Å; Y179-H292 HydrophobicContact CG-CB 4.31Å; Y179-H292 AromaticContact CG-CD2 3.76Å; Y179-H292 AromaticContact CG-CE1 3.58Å; Y179-H292 AromaticContact CG-CG 3.55Å; Y179-H292 AromaticContact CG-ND1 3.43Å; Y179-H292 AromaticContact CG-NE2 3.77Å; L288-H292 VanDerWaalsContact CD1-CD2 3.4Å; L288-H292 WeakPolarHBondContact CD1-CD2 3.34Å; L288-H292 PolarHBondContact O-CD2 3.47Å; L288-H292 PolarHBondContact O-N 3.19Å; L288-H292 VanDerWaalsContact O-N 3.08Å; I290-H292 VanDerWaalsContact C-N 3.27Å; I290-H292 PolarHBondContact O-N 3.38Å; H292-F294 HydrophobicContact CB-CD2 3.83Å; H292-F294 HydrophobicContact CB-CE2 3.82Å; H292-F294 WeakPolarHBondContact O-CD2 3.48Å; H292-F294 PolarHBondContact O-N 3.41Å; H292-F294 VanDerWaalsContact O-N 3.14Å
293K88.9Confident73.7Confident185 Ų18578.5 Ų78.580%0.80443%0.433SS*.THydrogen-bonded Turntrans57.129.3171.9-52.8-179.9178.7-177.20114.5L289 I290L289-K293 PolarHBondContact O-N 2.84Å; I290-K293 PolarHBondContact O-N 2.86Å
294F85.3Confident70.7Confident34 Ų3482.6 Ų82.615%0.14946%0.46CS..SBendtrans-72.6-26.7163.5-72.5-96.6000110.6Y179 R197 I257 V260 L289 H292Y179-F294 HydrophobicContact CD2-CE2 4.07Å; Y179-F294 HydrophobicContact CE2-CE2 4.06Å; Y179-F294 HydrophobicContact CE2-CZ 4.36Å; R197-F294 HydrophobicContact CB-CE1 4.22Å; R197-F294 HydrophobicContact CB-CZ 4.15Å; I257-F294 HydrophobicContact CD1-CB 4.38Å; I257-F294 HydrophobicContact CG2-CB 4.07Å; I257-F294 HydrophobicContact CG2-CD1 4.17Å; V260-F294 HydrophobicContact CB-CD1 4Å; V260-F294 HydrophobicContact CB-CE1 4.09Å; V260-F294 HydrophobicContact CG2-CD1 3.64Å; V260-F294 HydrophobicContact CG2-CE1 3.7Å; V260-F294 HydrophobicContact CG2-CG 4.39Å; L289-F294 HydrophobicContact CB-CB 4.24Å; L289-F294 HydrophobicContact CD2-CB 3.71Å; L289-F294 HydrophobicContact CD2-CD1 4.46Å; L289-F294 HydrophobicContact CD2-CD2 4.3Å; L289-F294 HydrophobicContact CD2-CG 3.92Å; L289-F294 WeakPolarHBondContact O-CB 3.41Å; L289-F294 PolarHBondContact O-N 3.35Å; H292-F294 HydrophobicContact CB-CD2 3.83Å; H292-F294 HydrophobicContact CB-CE2 3.82Å; H292-F294 WeakPolarHBondContact O-CD2 3.48Å; H292-F294 PolarHBondContact O-N 3.41Å; H292-F294 VanDerWaalsContact O-N 3.14Å
295L74.3Confident67.4Low29 Ų2985.5 Ų85.515%0.15249%0.492CS..SBendtrans-105.9123.2169.8-78165.4000108.8I257 R286 L289 I290 N297I257-L295 HydrophobicContact CD1-CD1 4.17Å; I257-L295 HydrophobicContact CD1-CD2 3.75Å; I257-L295 HydrophobicContact CD1-CG 3.6Å; I257-L295 HydrophobicContact CG1-CD2 3.99Å; I257-L295 HydrophobicContact CG1-CG 4.27Å; R286-L295 HydrophobicContact CG-CD1 4.28Å; L289-L295 HydrophobicContact CB-CD1 3.76Å; L289-L295 HydrophobicContact CB-CG 4.24Å; L289-L295 PolarHBondContact O-N 3.46Å; I290-L295 HydrophobicContact CD1-CD1 4.42Å; I290-L295 HydrophobicContact CG1-CB 3.85Å; I290-L295 HydrophobicContact CG1-CD1 3.65Å; I290-L295 HydrophobicContact CG1-CG 4.38Å; L295-N297 PolarHBondContact O-N 3.28Å
296S60.7Low64.3Low110 Ų11096.8 Ų96.877%0.76954%0.536SS*.  trans-69.7126.5163.445.70000108.1A298S296-A298 PolarHBondContact O-N 3.37Å
297N50.3Low61.6Low76 Ų76100.8 Ų100.841%0.40656%0.559SS.*  trans-63.1128163.6-73.1-39.5000106.3I290 L295 N299 D300I290-N297 WeakPolarHBondContact CG2-OD1 3.49Å; L295-N297 PolarHBondContact O-N 3.28Å; N297-N299 PolarHBondContact O-N 3.03Å; N297-D300 PolarHBondContact O-N 2.75Å
298A46.5Very low58.7Low103 Ų103105.7 Ų105.785%0.85158%0.577SS**THydrogen-bonded Turntrans-55.7-2.4174.300000114S296S296-A298 PolarHBondContact O-N 3.37Å
299N41.1Very low55.9Low140 Ų140115.1 Ų115.175%0.74962%0.617SS**THydrogen-bonded Turntrans-100.3-5.9179-65.2-29000114.9N297N297-N299 PolarHBondContact O-N 3.03Å
300D47.8Very low53.2Low120 Ų120123.3 Ų123.364%0.64266%0.655SS**THydrogen-bonded Turntrans-90.2-1.7-174.1-75-24.5000114.5N297N297-D300 PolarHBondContact O-N 2.75Å
301D43.4Very low50.8Low161 Ų161131.2 Ų131.286%0.86169%0.688SS**THydrogen-bonded Turntrans-9417.2-179.4-108-7.8000115.2G303D301-G303 PolarHBondContact O-N 3.33Å
302N33.4Very low48.4Very low155 Ų155133 Ų13383%0.82970%0.696SS**  trans-98.479167.7-81.5-35000111.2
303G31.9Very low46Very low60 Ų60137.6 Ų137.662%0.61972%0.723SS**  trans-55.8135.115600000110.8D301D301-G303 PolarHBondContact O-N 3.33Å
304T29.8Very low44.1Very low144 Ų144137.6 Ų137.688%0.88372%0.723SS**SBendtrans81104165.773.50000118
305G27.8Very low42Very low70 Ų70145.3 Ų145.372%0.72276%0.756SS**  trans91.575.1134.900000118.1
306Y30.5Very low40.7Very low237 Ų237153.1 Ų153.193%0.92979%0.789SS**  trans-129.2106.3150.5-104-87.7000111.7K308Y306-K308 PolarHBondContact O-N 3.44Å
307Q37.5Very low39.9Very low180 Ų180157.3 Ų157.384%0.84179%0.793SS**  trans-65.2124.8174.6-69.7178.1-18.300110.4K309Q307-K309 PolarHBondContact O-N 3.3Å; Q307-K309 VanDerWaalsContact O-N 3.07Å
308K32.7Very low39.7Very low190 Ų190167.2 Ų167.283%0.82683%0.833SS**  trans-57.4106164-83.7175.8172.7171.80110Y306Y306-K308 PolarHBondContact O-N 3.44Å
309K37Very low39.3Very low199 Ų199170.5 Ų170.587%0.86583%0.832SS**  trans-93.3100.2157.8-99.2-177.6178.1171.90109.3Q307 K311Q307-K309 PolarHBondContact O-N 3.3Å; Q307-K309 VanDerWaalsContact O-N 3.07Å; K309-K311 PolarHBondContact O-N 3.48Å
310H38.6Very low39.2Very low172 Ų172172.1 Ų172.180%0.79684%0.836SS**  trans-58.5118.1163.6-86-89.1000109.8
311K40.9Very low38.8Very low209 Ų209174.9 Ų174.991%0.90985%0.847SS**  trans-94.6103.9166.5-142.9177-174.3-179.80107.6K309 D313K309-K311 PolarHBondContact O-N 3.48Å; K311-D313 PolarHBondContact O-N 3.07Å
312H44Very low38.5Very low160 Ų160175.8 Ų175.874%0.74185%0.846SS**  trans-78.3105177.8-159.9-50.9000108.5K314H312-K314 PolarHBondContact O-N 3.45Å
313D43.7Very low38.8Very low155 Ų155177.1 Ų177.183%0.82985%0.847SS**  trans-81113.6173.8-143.8-9000108.6K311K311-D313 PolarHBondContact O-N 3.07Å
314K49.7Very low39.3Very low186 Ų186184.9 Ų184.981%0.80986%0.862SS**  trans-110.486179.7-128-177.5-172.5176.90108.5H312H312-K314 PolarHBondContact O-N 3.45Å
315K40.2Very low40Very low196 Ų196187.8 Ų187.885%0.85286%0.861SS**  trans-72.4117.9159.1-101.2176.9175.9170.40109
316K47.4Very low40.9Very low193 Ų193196.8 Ų196.884%0.83987%0.872SS**  trans-167.9111.9147.4-111.1172-173.9179.80113
317K44.2Very low41.8Very low198 Ų198193.5 Ų193.586%0.86187%0.867SS**  trans45.7104.8135.8-71.6-179.4169.3-177.80118.6
318K45.2Very low42.1Very low284 Ų284194.7 Ų194.7100%1.23587%0.869SS**  -165.60102.5-117.1-178.8178.9-177.90109.6

Retrieved 318 of 318 residues in 62.2 ms (Link to these results)

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