A0A087XQV5_POEFO Loading...

1-acylglycerol-3-phosphate O-acyltransferase 3

AlphaFold DB , UniProt , Accession A0A087XQV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 377 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
1M64.6Low84.1Confident216 Ų21693.3 Ų93.3100%1.06450%0.502SS*.  0-43.60-69.1-159.5-73.200113.2L3 L4 A5M1-L3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.42Å; M1-A5 PolarHBondContact O-N 2.66Å; M1-A5 VanDerWaalsContact O-N 3.14Å
2A80.1Confident84.3Confident82 Ų8292.9 Ų92.968%0.67850%0.498SS*.Hα-helixtrans-58.7-44179.800000114.5L4 A5 Y6A2-L4 PolarHBondContact O-N 2.68Å; A2-A5 PolarHBondContact O-N 2.71Å; A2-Y6 WeakPolarHBondContact O-CB 3.17Å; A2-Y6 PolarHBondContact O-N 3.36Å
3L85.3Confident84.8Confident124 Ų12490.2 Ų90.265%0.64948%0.483SS*.Hα-helixtrans-60-45.3177.6-179.763.7000112.5M1 A5 Y6 L7M1-L3 PolarHBondContact O-N 3.37Å; L3-A5 PolarHBondContact O-N 2.94Å; L3-Y6 WeakPolarHBondContact O-CB 2.72Å; L3-Y6 PolarHBondContact O-N 2.87Å; L3-L7 HydrophobicContact CD1-CG 4.43Å; L3-L7 HydrophobicContact CG-CD1 4.29Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.3Å
4L85.8Confident85.2Confident99 Ų9985.6 Ų85.652%0.51846%0.457SS..Hα-helixtrans-64.8-40.2178.9-177.663.5000111.8M1 A2 L7 K8M1-L4 PolarHBondContact O-N 3.42Å; A2-L4 PolarHBondContact O-N 2.68Å; L4-L7 PolarHBondContact O-N 3.2Å; L4-K8 HydrophobicContact CG-CD 4.47Å; L4-K8 WeakPolarHBondContact O-CG 3.43Å; L4-K8 PolarHBondContact O-N 2.92Å
5A85.4Confident85.3Confident59 Ų5980.9 Ų80.949%0.48843%0.432SS..Hα-helixtrans-63.2-43.6174.900000111.3M1 A2 L3 K8 S9M1-A5 PolarHBondContact O-N 2.66Å; M1-A5 VanDerWaalsContact O-N 3.14Å; A2-A5 PolarHBondContact O-N 2.71Å; L3-A5 PolarHBondContact O-N 2.94Å; A5-K8 PolarHBondContact O-N 3.3Å; A5-S9 PolarHBondContact O-N 2.96Å
6Y86.6Confident85.7Confident147 Ų14778.8 Ų78.858%0.57642%0.42SS*.Hα-helixtrans-59.2-48.7174174.4-103.5000111.7A2 L3 K8 S9 L10A2-Y6 WeakPolarHBondContact O-CB 3.17Å; A2-Y6 PolarHBondContact O-N 3.36Å; L3-Y6 WeakPolarHBondContact O-CB 2.72Å; L3-Y6 PolarHBondContact O-N 2.87Å; Y6-K8 VanDerWaalsContact C-N 3.33Å; Y6-K8 PolarHBondContact O-N 2.75Å; Y6-S9 PolarHBondContact O-N 3.27Å; Y6-S9 PolarHBondContact O-OG 2.85Å; Y6-L10 HydrophobicContact CE1-CD2 3.94Å; Y6-L10 HydrophobicContact CE2-CD2 4.36Å; Y6-L10 PolarHBondContact O-N 2.78Å
7L88.4Confident86.2Confident71 Ų7175.2 Ų75.237%0.37240%0.401SS..Hα-helixtrans-56.5-46.1176.9-70.9174.8000111.4L3 L4 S9 L10 L13L3-L7 HydrophobicContact CD1-CG 4.43Å; L3-L7 HydrophobicContact CG-CD1 4.29Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.3Å; L4-L7 PolarHBondContact O-N 3.2Å; L7-S9 VanDerWaalsContact C-N 3.25Å; L7-S9 PolarHBondContact O-N 3.49Å; L7-L10 HydrophobicContact CD2-CD1 3.81Å; L7-L10 WeakPolarHBondContact O-CB 3.37Å; L7-L10 WeakPolarHBondContact O-CG 3.4Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-L13 VanDerWaalsContact O-CD1 3.26Å; L7-L13 WeakPolarHBondContact O-CD1 3.15Å
8K87.6Confident86.5Confident36 Ų3671.8 Ų71.816%0.15739%0.386CS..Hα-helixtrans-65.5-26.2178.1-69.1178.9-179-178.40113.8L4 A5 Y6 L10 Q14 W68L4-K8 HydrophobicContact CG-CD 4.47Å; L4-K8 WeakPolarHBondContact O-CG 3.43Å; L4-K8 PolarHBondContact O-N 2.92Å; A5-K8 PolarHBondContact O-N 3.3Å; Y6-K8 VanDerWaalsContact C-N 3.33Å; Y6-K8 PolarHBondContact O-N 2.75Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-Q14 PolarHBondContact O-NE2 3.13Å; K8-W68 VanDerWaalsContact CA-CZ2 3.44Å; K8-W68 HydrophobicContact CB-CH2 4.04Å; K8-W68 HydrophobicContact CB-CZ2 3.56Å; K8-W68 HydrophobicContact CD-CD2 4.46Å; K8-W68 VanDerWaalsContact CE-O 3.27Å; K8-W68 WeakPolarHBondContact CE-O 3.42Å; K8-W68 HydrophobicContact CG-CD2 4.3Å; K8-W68 HydrophobicContact CG-CE3 4.36Å; K8-W68 HydrophobicContact CG-CH2 3.75Å; K8-W68 HydrophobicContact CG-CZ2 3.66Å; K8-W68 HydrophobicContact CG-CZ3 4.09Å; K8-W68 PolarHBondContact NZ-O 3.12Å; K8-W68 WeakPolarHBondContact O-CZ2 3.38Å
9S86.1Confident86.8Confident51 Ų5169.9 Ų69.936%0.35737%0.374SS..Hα-helixtrans-79.1-8.2173.874.80000113.8A5 Y6 L7 F11 Q14A5-S9 PolarHBondContact O-N 2.96Å; Y6-S9 PolarHBondContact O-N 3.27Å; Y6-S9 PolarHBondContact O-OG 2.85Å; L7-S9 VanDerWaalsContact C-N 3.25Å; L7-S9 PolarHBondContact O-N 3.49Å; S9-F11 PolarHBondContact O-N 2.88Å; S9-F11 VanDerWaalsContact O-N 3.14Å; S9-Q14 PolarHBondContact O-NE2 3Å
10L88.8Confident87.3Confident49 Ų4966.5 Ų66.526%0.25736%0.355SS..  trans-65118.8180-67.1178.4000110.5Y6 L7 K8 I12 L13 Q14Y6-L10 HydrophobicContact CE1-CD2 3.94Å; Y6-L10 HydrophobicContact CE2-CD2 4.36Å; Y6-L10 PolarHBondContact O-N 2.78Å; L7-L10 HydrophobicContact CD2-CD1 3.81Å; L7-L10 WeakPolarHBondContact O-CB 3.37Å; L7-L10 WeakPolarHBondContact O-CG 3.4Å; L7-L10 PolarHBondContact O-N 3.35Å; K8-L10 VanDerWaalsContact C-N 3.27Å; L10-I12 HydrophobicContact CB-CG2 4.19Å; L10-I12 PolarHBondContact O-N 2.98Å; L10-I12 VanDerWaalsContact O-N 3.11Å; L10-L13 HydrophobicContact CB-CG 4.28Å; L10-L13 PolarHBondContact O-N 3.39Å; L10-Q14 PolarHBondContact O-N 3.31Å
11F86.3Confident87.7Confident92 Ų9264.7 Ų64.740%0.40435%0.345SS..Hα-helixtrans-54.9-33.9-179.7-176.1-107.9000112.9S9 L13 Q14 L15 S349S9-F11 PolarHBondContact O-N 2.88Å; S9-F11 VanDerWaalsContact O-N 3.14Å; F11-L13 PolarHBondContact O-N 2.68Å; F11-Q14 WeakPolarHBondContact O-CB 3.39Å; F11-Q14 PolarHBondContact O-N 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.27Å; F11-S349 VanDerWaalsContact CZ-OG 3.23Å; F11-S349 WeakPolarHBondContact CZ-OG 3.32Å
12I87.2Confident89Confident89 Ų8956.2 Ų56.246%0.45631%0.305SS..Hα-helixtrans-63.3-40177.4-170.660.7000112.3L10 Q14 L15 L16L10-I12 HydrophobicContact CB-CG2 4.19Å; L10-I12 PolarHBondContact O-N 2.98Å; L10-I12 VanDerWaalsContact O-N 3.11Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 3.12Å; I12-L15 HydrophobicContact CD1-CD2 4.35Å; I12-L15 WeakPolarHBondContact O-CB 3.31Å; I12-L15 PolarHBondContact O-N 3.19Å; I12-L16 HydrophobicContact CG1-CD1 4.49Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.17Å; I12-L16 PolarHBondContact O-N 3.23Å
13L90.8Very high89.7Confident58 Ų5854.1 Ų54.130%0.30428%0.284SS..Hα-helixtrans-68.3-38.1177.8-63.8-172.7000111L7 L10 F11 L15 L16 M17 W68L7-L13 VanDerWaalsContact O-CD1 3.26Å; L7-L13 WeakPolarHBondContact O-CD1 3.15Å; L10-L13 HydrophobicContact CB-CG 4.28Å; L10-L13 PolarHBondContact O-N 3.39Å; F11-L13 PolarHBondContact O-N 2.68Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L16 HydrophobicContact CD2-CD1 4.4Å; L13-L16 PolarHBondContact O-N 2.7Å; L13-M17 WeakPolarHBondContact O-CG 3.16Å; L13-M17 PolarHBondContact O-N 3.08Å; L13-W68 HydrophobicContact CB-CH2 4.15Å; L13-W68 HydrophobicContact CD1-CH2 3.99Å
14Q89.5Confident90.3Very high26 Ų2648.2 Ų48.212%0.12125%0.253CS..Hα-helixtrans-63.2-41.3175-59171.6-2.100111.3K8 S9 L10 F11 I12 M17 G18 V244 N245K8-Q14 PolarHBondContact O-NE2 3.13Å; S9-Q14 PolarHBondContact O-NE2 3Å; L10-Q14 PolarHBondContact O-N 3.31Å; F11-Q14 WeakPolarHBondContact O-CB 3.39Å; F11-Q14 PolarHBondContact O-N 3.28Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 3.12Å; Q14-M17 HydrophobicContact CG-CE 4.43Å; Q14-M17 PolarHBondContact O-N 2.73Å; Q14-G18 PolarHBondContact O-N 3.16Å; Q14-V244 HydrophobicContact CB-CG1 4Å; Q14-V244 HydrophobicContact CG-CG1 3.67Å; Q14-N245 PolarHBondContact NE2-OD1 2.91Å
15L87.4Confident90.9Very high14 Ų1443.5 Ų43.57%0.07323%0.228CC..Hα-helixtrans-63.2-43.2175-175.462.8000111.6F11 I12 L13 G18 F19 L345 A348 I352F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.27Å; I12-L15 HydrophobicContact CD1-CD2 4.35Å; I12-L15 WeakPolarHBondContact O-CB 3.31Å; I12-L15 PolarHBondContact O-N 3.19Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L15-G18 PolarHBondContact O-N 3.19Å; L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.13Å; L15-L345 HydrophobicContact CD2-CB 4.46Å; L15-L345 HydrophobicContact CD2-CD2 4.02Å; L15-A348 HydrophobicContact CD1-CB 4.38Å; L15-I352 HydrophobicContact CD1-CD1 3.71Å
16L92.2Very high91.4Very high48 Ų4844.7 Ų44.725%0.25123%0.226SC..Hα-helixtrans-65.7-43.4177.4-66.8173.4000112I12 L13 F19 V20 L319 L322I12-L16 HydrophobicContact CG1-CD1 4.49Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.17Å; I12-L16 PolarHBondContact O-N 3.23Å; L13-L16 HydrophobicContact CD2-CD1 4.4Å; L13-L16 PolarHBondContact O-N 2.7Å; L16-F19 WeakPolarHBondContact O-CB 3.46Å; L16-F19 PolarHBondContact O-N 3.34Å; L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 2.96Å; L16-L319 HydrophobicContact CB-CD1 4.44Å; L16-L319 HydrophobicContact CB-CD2 4.4Å; L16-L319 HydrophobicContact CD2-CD2 3.94Å; L16-L322 HydrophobicContact CD2-CD2 4.27Å
17M93.6Very high92Very high18 Ų1840.8 Ų40.89%0.08921%0.214CC..Hα-helixtrans-62.6-43.8174.3-71.2-172.8-67.100111.6L13 Q14 F19 V20 F21 W68 F311L13-M17 WeakPolarHBondContact O-CG 3.16Å; L13-M17 PolarHBondContact O-N 3.08Å; Q14-M17 HydrophobicContact CG-CE 4.43Å; Q14-M17 PolarHBondContact O-N 2.73Å; M17-F19 VanDerWaalsContact C-N 3.33Å; M17-F19 PolarHBondContact O-N 3.28Å; M17-V20 PolarHBondContact O-N 2.9Å; M17-F21 PolarHBondContact O-N 3.25Å; M17-W68 HydrophobicContact CE-CD2 3.98Å; M17-W68 VanDerWaalsContact CE-CE2 3.47Å; M17-W68 HydrophobicContact CE-CE3 4.39Å; M17-W68 HydrophobicContact CE-CH2 3.86Å; M17-W68 HydrophobicContact CE-CZ2 3.39Å; M17-W68 HydrophobicContact CE-CZ3 4.34Å; M17-W68 HydrophobicContact SD-CD2 3.86Å; M17-W68 HydrophobicContact SD-CE3 3.95Å; M17-W68 HydrophobicContact SD-CG 4.32Å; M17-W68 HydrophobicContact SD-CH2 4.29Å; M17-W68 HydrophobicContact SD-CZ2 4.21Å; M17-W68 HydrophobicContact SD-CZ3 4.17Å; M17-F311 HydrophobicContact CG-CE2 4.47Å; M17-F311 HydrophobicContact CG-CZ 3.93Å
18G92.1Very high92.5Very high13 Ų1337.4 Ų37.413%0.13420%0.197CC..Hα-helixtrans-62.5-39.7175.700000112.4Q14 L15 F21 V22Q14-G18 PolarHBondContact O-N 3.16Å; L15-G18 PolarHBondContact O-N 3.19Å; G18-F21 PolarHBondContact O-N 3.09Å; G18-V22 WeakPolarHBondContact O-CB 3.37Å; G18-V22 VanDerWaalsContact O-CG2 3.25Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.88Å
19F91.9Very high93Very high37 Ų3736 Ų3616%0.16219%0.191CC..Hα-helixtrans-60.7-48.1173.3174.2-92.6000111.6L15 L16 M17 F21 V22 V23 L318 L319 L322L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.13Å; L16-F19 WeakPolarHBondContact O-CB 3.46Å; L16-F19 PolarHBondContact O-N 3.34Å; M17-F19 VanDerWaalsContact C-N 3.33Å; M17-F19 PolarHBondContact O-N 3.28Å; F19-F21 PolarHBondContact O-N 2.91Å; F19-V22 PolarHBondContact O-N 3.41Å; F19-V23 HydrophobicContact CD1-CG2 4.49Å; F19-V23 HydrophobicContact CD2-CG2 3.85Å; F19-V23 HydrophobicContact CE1-CG2 4.25Å; F19-V23 HydrophobicContact CE2-CG2 3.57Å; F19-V23 HydrophobicContact CG-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.79Å; F19-V23 WeakPolarHBondContact O-CB 3.46Å; F19-V23 WeakPolarHBondContact O-CG2 3.5Å; F19-V23 PolarHBondContact O-N 3.42Å; F19-L318 HydrophobicContact CE1-CB 4.09Å; F19-L319 HydrophobicContact CD1-CD2 3.79Å; F19-L319 HydrophobicContact CE1-CD2 4.21Å; F19-L322 HydrophobicContact CD1-CD2 3.9Å; F19-L322 HydrophobicContact CD2-CD2 4.43Å; F19-L322 HydrophobicContact CE1-CB 4.47Å; F19-L322 HydrophobicContact CE1-CD2 3.71Å; F19-L322 HydrophobicContact CE2-CD2 4.26Å; F19-L322 HydrophobicContact CG-CD2 4.26Å; F19-L322 HydrophobicContact CZ-CD1 4.42Å; F19-L322 HydrophobicContact CZ-CD2 3.9Å
20V96Very high93.6Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-57.6-49176.7172.80000110.5L16 M17 V22 S24 F311 W314 A315 L318 L319L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 2.96Å; M17-V20 PolarHBondContact O-N 2.9Å; V20-V22 PolarHBondContact O-N 3.34Å; V20-S24 WeakPolarHBondContact O-CB 3.39Å; V20-S24 PolarHBondContact O-N 3.38Å; V20-S24 PolarHBondContact O-OG 3.39Å; V20-F311 HydrophobicContact CB-CE2 4.19Å; V20-F311 HydrophobicContact CG1-CD2 4.17Å; V20-F311 HydrophobicContact CG1-CE2 3.83Å; V20-W314 HydrophobicContact CG1-CB 3.81Å; V20-A315 HydrophobicContact CG2-CB 4.22Å; V20-L318 HydrophobicContact CG1-CD1 4.4Å; V20-L319 HydrophobicContact CG2-CD1 4.03Å; V20-L319 HydrophobicContact CG2-CD2 3.79Å; V20-L319 HydrophobicContact CG2-CG 3.78Å
21F95.6Very high94Very high29 Ų2941.1 Ų41.113%0.12721%0.207CC..Hα-helixtrans-60.8-46.5178.8178.7-101.2000112.6M17 G18 F19 S24 G25 L57 Q60 L61 L131M17-F21 PolarHBondContact O-N 3.25Å; G18-F21 PolarHBondContact O-N 3.09Å; F19-F21 PolarHBondContact O-N 2.91Å; F21-S24 PolarHBondContact O-OG 3.13Å; F21-G25 PolarHBondContact O-N 3.48Å; F21-L57 HydrophobicContact CD2-CD1 3.86Å; F21-L57 HydrophobicContact CE2-CD1 3.44Å; F21-L57 VanDerWaalsContact CE2-CD1 3.44Å; F21-L57 HydrophobicContact CE2-CG 4.02Å; F21-L57 HydrophobicContact CZ-CD1 3.96Å; F21-L57 HydrophobicContact CZ-CG 4.42Å; F21-Q60 HydrophobicContact CD2-CB 4.17Å; F21-L61 HydrophobicContact CD2-CD2 4.07Å; F21-L61 HydrophobicContact CD2-CG 4.39Å; F21-L61 HydrophobicContact CE2-CD1 4.05Å; F21-L61 HydrophobicContact CE2-CD2 3.71Å; F21-L61 HydrophobicContact CE2-CG 3.73Å; F21-L61 HydrophobicContact CZ-CD1 4.13Å; F21-L61 HydrophobicContact CZ-CD2 4.05Å; F21-L61 HydrophobicContact CZ-CG 4.25Å; F21-L131 HydrophobicContact CD1-CD1 4.41Å; F21-L131 HydrophobicContact CE1-CD1 4.17Å
22V93.3Very high94.6Very high39 Ų3936.7 Ų36.724%0.23619%0.188CC..Hα-helixtrans-67.4-50.3-177.2169.40000111.3G18 F19 V20 G25 L26 L131 L355G18-V22 WeakPolarHBondContact O-CB 3.37Å; G18-V22 VanDerWaalsContact O-CG2 3.25Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.88Å; F19-V22 PolarHBondContact O-N 3.41Å; V20-V22 PolarHBondContact O-N 3.34Å; V22-G25 PolarHBondContact O-N 2.96Å; V22-L26 HydrophobicContact CG1-CD1 4.34Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.45Å; V22-L131 HydrophobicContact CB-CD1 4.22Å; V22-L131 HydrophobicContact CG1-CD1 4.3Å; V22-L131 HydrophobicContact CG2-CD1 4.07Å; V22-L355 HydrophobicContact CG2-CD1 4.02Å
23V95Very high95.1Very high38 Ų3837.4 Ų37.423%0.2319%0.192CC..Hα-helixtrans-71.1-42.2-175.1178.50000111.2F19 G25 L26 I27 L318F19-V23 HydrophobicContact CD1-CG2 4.49Å; F19-V23 HydrophobicContact CD2-CG2 3.85Å; F19-V23 HydrophobicContact CE1-CG2 4.25Å; F19-V23 HydrophobicContact CE2-CG2 3.57Å; F19-V23 HydrophobicContact CG-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.79Å; F19-V23 WeakPolarHBondContact O-CB 3.46Å; F19-V23 WeakPolarHBondContact O-CG2 3.5Å; F19-V23 PolarHBondContact O-N 3.42Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 2.92Å; V23-L26 PolarHBondContact O-N 3.08Å; V23-I27 HydrophobicContact CG1-CD1 4.13Å; V23-I27 WeakPolarHBondContact O-CG1 3.4Å; V23-I27 PolarHBondContact O-N 3.12Å; V23-L318 HydrophobicContact CB-CD1 4.12Å; V23-L318 HydrophobicContact CG1-CD1 4.19Å; V23-L318 HydrophobicContact CG1-CD2 3.78Å
24S97.8Very high95.5Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-62-40.5172.862.30000111.6V20 F21 L26 I27 I28 Q60 W314V20-S24 WeakPolarHBondContact O-CB 3.39Å; V20-S24 PolarHBondContact O-N 3.38Å; V20-S24 PolarHBondContact O-OG 3.39Å; F21-S24 PolarHBondContact O-OG 3.13Å; S24-L26 PolarHBondContact O-N 3.31Å; S24-I27 PolarHBondContact O-N 2.89Å; S24-I28 WeakPolarHBondContact O-CB 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.22Å; S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 3.38Å; S24-Q60 PolarHBondContact OG-NE2 2.97Å; S24-Q60 PolarHBondContact OG-OE1 2.9Å; S24-W314 VanDerWaalsContact CB-CD2 3.43Å
25G97.3Very high95.9Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-60.4-41.4175.400000113.2F21 V22 V23 I28 N29F21-G25 PolarHBondContact O-N 3.48Å; V22-G25 PolarHBondContact O-N 2.96Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 2.92Å; G25-I28 PolarHBondContact O-N 3.04Å; G25-N29 WeakPolarHBondContact O-CB 3.38Å; G25-N29 PolarHBondContact O-N 3.21Å
26L96.8Very high96.4Very high84 Ų8438.6 Ų38.644%0.4421%0.208SC..Hα-helixtrans-64.3-44.1175.9-71.9173.3000111.5V22 V23 S24 N29 F30 L131 W134V22-L26 HydrophobicContact CG1-CD1 4.34Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.45Å; V23-L26 PolarHBondContact O-N 3.08Å; S24-L26 PolarHBondContact O-N 3.31Å; L26-N29 PolarHBondContact O-N 2.93Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.47Å; L26-L131 HydrophobicContact CB-CD2 4.44Å; L26-L131 HydrophobicContact CD2-CD2 3.58Å; L26-L131 HydrophobicContact CG-CD2 3.73Å; L26-W134 HydrophobicContact CD2-CZ3 4.26Å
27I98.2Very high96.6Very high64 Ų6442.1 Ų42.133%0.32823%0.226SC..Hα-helixtrans-61-46.9175.7-66.7165.8000110V23 S24 F30 I31 W314 L318V23-I27 HydrophobicContact CG1-CD1 4.13Å; V23-I27 WeakPolarHBondContact O-CG1 3.4Å; V23-I27 PolarHBondContact O-N 3.12Å; S24-I27 PolarHBondContact O-N 2.89Å; I27-F30 WeakPolarHBondContact O-CB 3.5Å; I27-F30 PolarHBondContact O-N 3.35Å; I27-I31 HydrophobicContact CG2-CD1 4.01Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 2.84Å; I27-W314 HydrophobicContact CB-CH2 4.37Å; I27-W314 HydrophobicContact CD1-CZ3 4.04Å; I27-W314 HydrophobicContact CG2-CH2 3.96Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I27-L318 HydrophobicContact CD1-CD2 4.03Å
28I98.6Very high96.8Very high1 Ų143.6 Ų43.61%0.00523%0.234CC..Hα-helixtrans-59.3-49.5178.1-73.3166.8000110.4S24 G25 F30 I31 Q32 L53 L57 W314S24-I28 WeakPolarHBondContact O-CB 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.22Å; S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 3.38Å; G25-I28 PolarHBondContact O-N 3.04Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 2.98Å; I28-I31 WeakPolarHBondContact O-CB 3.28Å; I28-I31 PolarHBondContact O-N 3.44Å; I28-I31 VanDerWaalsContact O-N 3.11Å; I28-Q32 HydrophobicContact CG2-CG 4.29Å; I28-Q32 WeakPolarHBondContact O-CG 3.45Å; I28-Q32 PolarHBondContact O-N 2.95Å; I28-L53 HydrophobicContact CG2-CB 3.99Å; I28-L53 HydrophobicContact CG2-CD2 4.5Å; I28-L57 HydrophobicContact CD1-CB 4.08Å; I28-W314 HydrophobicContact CD1-CZ2 3.99Å; I28-W314 HydrophobicContact CG1-CH2 4.45Å; I28-W314 HydrophobicContact CG1-CZ2 3.94Å
29N98.3Very high97Very high6 Ų647.1 Ų47.13%0.03224%0.243CC..Hα-helixtrans-63.6-34.8178.9-73.1167.3000113.1G25 L26 Q32 L33 L131 W134 T135G25-N29 WeakPolarHBondContact O-CB 3.38Å; G25-N29 PolarHBondContact O-N 3.21Å; L26-N29 PolarHBondContact O-N 2.93Å; N29-Q32 PolarHBondContact ND2-OE1 3.34Å; N29-Q32 PolarHBondContact O-N 3.12Å; N29-L33 WeakPolarHBondContact O-CB 3.49Å; N29-L33 PolarHBondContact O-N 3.47Å; N29-L131 WeakPolarHBondContact OD1-CA 3.44Å; N29-L131 PolarHBondContact OD1-O 3.46Å; N29-W134 HydrophobicContact CB-CE3 4.21Å; N29-T135 PolarHBondContact ND2-OG1 3.33Å
30F98.3Very high97.2Very high137 Ų13750.6 Ų50.660%0.60127%0.269SS*.Hα-helixtrans-61.9-45.2172.5178.2-102.1000111L26 I27 I28 Q32 L33 C34L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.47Å; I27-F30 WeakPolarHBondContact O-CB 3.5Å; I27-F30 PolarHBondContact O-N 3.35Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 2.98Å; F30-Q32 VanDerWaalsContact C-N 3.35Å; F30-Q32 PolarHBondContact O-N 3.06Å; F30-L33 WeakPolarHBondContact O-CB 3.37Å; F30-L33 PolarHBondContact O-N 3.39Å; F30-C34 PolarHBondContact O-N 2.64Å; F30-C34 VanDerWaalsContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 3.27Å; F30-C34 VanDerWaalsContact O-SG 3.34Å
31I98.5Very high97.3Very high70 Ų7056.8 Ų56.836%0.35930%0.301SS..Hα-helixtrans-62-43.8174.9-62164.4000110.6I27 I28 L33 C34 T35 L53I27-I31 HydrophobicContact CG2-CD1 4.01Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 2.84Å; I28-I31 WeakPolarHBondContact O-CB 3.28Å; I28-I31 PolarHBondContact O-N 3.44Å; I28-I31 VanDerWaalsContact O-N 3.11Å; I31-L33 VanDerWaalsContact C-N 3.3Å; I31-L33 PolarHBondContact O-N 3.36Å; I31-C34 WeakPolarHBondContact O-CA 3.35Å; I31-C34 WeakPolarHBondContact O-CB 3.32Å; I31-C34 PolarHBondContact O-N 2.93Å; I31-T35 WeakPolarHBondContact O-CG2 3.26Å; I31-T35 PolarHBondContact O-N 3.49Å; I31-L53 HydrophobicContact CB-CD1 4.4Å; I31-L53 HydrophobicContact CB-CD2 4.43Å; I31-L53 HydrophobicContact CG2-CD1 3.8Å; I31-L53 HydrophobicContact CG2-CD2 4.02Å
32Q98.5Very high97.4Very high0 Ų058.9 Ų58.90%031%0.314CS..Hα-helixtrans-59.5-40.4176.3-67-176.1-73.400112I28 N29 F30 C34 T35 N50 L53 F138I28-Q32 HydrophobicContact CG2-CG 4.29Å; I28-Q32 WeakPolarHBondContact O-CG 3.45Å; I28-Q32 PolarHBondContact O-N 2.95Å; N29-Q32 PolarHBondContact ND2-OE1 3.34Å; N29-Q32 PolarHBondContact O-N 3.12Å; F30-Q32 VanDerWaalsContact C-N 3.35Å; F30-Q32 PolarHBondContact O-N 3.06Å; Q32-C34 VanDerWaalsContact C-N 3.3Å; Q32-C34 PolarHBondContact O-N 3.43Å; Q32-T35 WeakPolarHBondContact O-CB 3.27Å; Q32-T35 PolarHBondContact O-N 3.15Å; Q32-T35 PolarHBondContact O-OG1 3.46Å; Q32-N50 WeakPolarHBondContact CB-OD1 3.5Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.39Å; Q32-N50 PolarHBondContact NE2-OD1 2.94Å; Q32-L53 HydrophobicContact CB-CD1 4.47Å; Q32-L53 HydrophobicContact CG-CB 4.02Å; Q32-L53 HydrophobicContact CG-CD1 3.55Å; Q32-L53 HydrophobicContact CG-CG 4.4Å; Q32-F138 HydrophobicContact CB-CB 4.19Å; Q32-F138 HydrophobicContact CB-CD1 4.25Å; Q32-F138 HydrophobicContact CB-CD2 3.35Å; Q32-F138 HydrophobicContact CB-CE1 4.49Å; Q32-F138 HydrophobicContact CB-CE2 3.64Å; Q32-F138 HydrophobicContact CB-CG 3.69Å; Q32-F138 HydrophobicContact CB-CZ 4.21Å; Q32-F138 HydrophobicContact CG-CD2 4.13Å; Q32-F138 HydrophobicContact CG-CG 4.49Å
33L98.2Very high97.5Very high103 Ų10361.8 Ų61.854%0.53932%0.32SS..Hα-helixtrans-59.2-42.9173.3-179.663.9000111.3N29 F30 I31 T35 C36 F138N29-L33 WeakPolarHBondContact O-CB 3.49Å; N29-L33 PolarHBondContact O-N 3.47Å; F30-L33 WeakPolarHBondContact O-CB 3.37Å; F30-L33 PolarHBondContact O-N 3.39Å; I31-L33 VanDerWaalsContact C-N 3.3Å; I31-L33 PolarHBondContact O-N 3.36Å; L33-T35 PolarHBondContact O-N 3.32Å; L33-C36 VanDerWaalsContact O-CB 3.26Å; L33-C36 WeakPolarHBondContact O-CB 3.3Å; L33-C36 PolarHBondContact O-N 3.21Å; L33-C36 VanDerWaalsContact O-N 3.15Å; L33-C36 PolarHBondContact O-SG 2.67Å; L33-C36 VanDerWaalsContact O-SG 3.39Å; L33-F138 HydrophobicContact CB-CZ 4.02Å; L33-F138 HydrophobicContact CD1-CZ 4.33Å
34C98.3Very high97.7Very high66 Ų6662.6 Ų62.645%0.44632%0.321SS..Hα-helixtrans-62.3-31.9174.4-60.90000112.4F30 I31 Q32 C36 I37F30-C34 PolarHBondContact O-N 2.64Å; F30-C34 VanDerWaalsContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 3.27Å; F30-C34 VanDerWaalsContact O-SG 3.34Å; I31-C34 WeakPolarHBondContact O-CA 3.35Å; I31-C34 WeakPolarHBondContact O-CB 3.32Å; I31-C34 PolarHBondContact O-N 2.93Å; Q32-C34 VanDerWaalsContact C-N 3.3Å; Q32-C34 PolarHBondContact O-N 3.43Å; C34-C36 PolarHBondContact O-N 3.36Å; C34-I37 PolarHBondContact O-N 3.41Å
35T98.1Very high97.7Very high11 Ų1166 Ų667%0.06734%0.339CS..Hα-helixtrans-65.7-17.417771.40000113.5I31 Q32 L33 I37 L38 Y46 I49 N50 L53I31-T35 WeakPolarHBondContact O-CG2 3.26Å; I31-T35 PolarHBondContact O-N 3.49Å; Q32-T35 WeakPolarHBondContact O-CB 3.27Å; Q32-T35 PolarHBondContact O-N 3.15Å; Q32-T35 PolarHBondContact O-OG1 3.46Å; L33-T35 PolarHBondContact O-N 3.32Å; T35-I37 PolarHBondContact O-N 2.77Å; T35-L38 WeakPolarHBondContact O-CA 3.2Å; T35-L38 VanDerWaalsContact O-CB 3.24Å; T35-L38 WeakPolarHBondContact O-CB 3.48Å; T35-L38 PolarHBondContact O-N 3.15Å; T35-Y46 VanDerWaalsContact O-CD2 3.29Å; T35-Y46 WeakPolarHBondContact O-CD2 3.43Å; T35-Y46 WeakPolarHBondContact OG1-CD2 3.31Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.28Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.37Å; T35-I49 HydrophobicContact CG2-CG2 3.72Å; T35-N50 PolarHBondContact OG1-ND2 3.46Å; T35-L53 HydrophobicContact CG2-CD1 4.21Å
36C97.5Very high97.8Very high47 Ų4766.5 Ų66.532%0.31834%0.341SS..THydrogen-bonded Turntrans-54.8-27178.3-69.90000113.6L33 C34 L38 W39 P40L33-C36 VanDerWaalsContact O-CB 3.26Å; L33-C36 WeakPolarHBondContact O-CB 3.3Å; L33-C36 PolarHBondContact O-N 3.21Å; L33-C36 VanDerWaalsContact O-N 3.15Å; L33-C36 PolarHBondContact O-SG 2.67Å; L33-C36 VanDerWaalsContact O-SG 3.39Å; C34-C36 PolarHBondContact O-N 3.36Å; C36-L38 PolarHBondContact O-N 3.03Å; C36-W39 VanDerWaalsContact O-CB 3.27Å; C36-W39 WeakPolarHBondContact O-CB 3.32Å; C36-W39 PolarHBondContact O-N 2.76Å; C36-W39 VanDerWaalsContact O-N 3.1Å; C36-P40 WeakPolarHBondContact O-CD 3.47Å
37I97.5Very high97.8Very high122 Ų12262.5 Ų62.563%0.62632%0.32SS*.THydrogen-bonded Turntrans-62.2-30.8174.4-59169.9000111.3C34 T35 W39 P40 I41C34-I37 PolarHBondContact O-N 3.41Å; T35-I37 PolarHBondContact O-N 2.77Å; I37-W39 VanDerWaalsContact C-N 3.34Å; I37-P40 WeakPolarHBondContact O-CD 3.16Å; I37-I41 HydrophobicContact CG2-CD1 4.41Å; I37-I41 WeakPolarHBondContact O-CD1 3.33Å
38L97.3Very high97.8Very high49 Ų4965.8 Ų65.826%0.25733%0.329SS..Hα-helixtrans-75.9-20.6177-57.2176.8000112.8T35 C36 I41 N42 L45 I49T35-L38 WeakPolarHBondContact O-CA 3.2Å; T35-L38 VanDerWaalsContact O-CB 3.24Å; T35-L38 WeakPolarHBondContact O-CB 3.48Å; T35-L38 PolarHBondContact O-N 3.15Å; C36-L38 PolarHBondContact O-N 3.03Å; L38-I41 PolarHBondContact O-N 3.37Å; L38-N42 CarbonylContact O-C 3.5Å; L38-N42 PolarHBondContact O-N 3.29Å; L38-L45 HydrophobicContact CD1-CD2 4.44Å; L38-L45 HydrophobicContact CD1-CG 4.44Å; L38-I49 HydrophobicContact CD1-CD1 3.58Å
39W95.8Very high97.8Very high87 Ų8768.4 Ų68.433%0.3334%0.342SS..Hα-helixtrans-55.6-52.6-176.3-179.1-99.5000113.5C36 I37 I41 R43 Y46 R47 E140C36-W39 VanDerWaalsContact O-CB 3.27Å; C36-W39 WeakPolarHBondContact O-CB 3.32Å; C36-W39 PolarHBondContact O-N 2.76Å; C36-W39 VanDerWaalsContact O-N 3.1Å; I37-W39 VanDerWaalsContact C-N 3.34Å; W39-I41 VanDerWaalsContact C-N 3.35Å; W39-R43 HydrophobicContact CD2-CG 4.43Å; W39-R43 HydrophobicContact CE3-CG 3.98Å; W39-R43 HydrophobicContact CH2-CG 3.58Å; W39-R43 HydrophobicContact CZ2-CG 4.1Å; W39-R43 HydrophobicContact CZ3-CG 3.55Å; W39-R43 PolarHBondContact O-N 3.13Å; W39-Y46 HydrophobicContact CB-CD2 4.21Å; W39-Y46 HydrophobicContact CB-CE2 4.48Å; W39-Y46 HydrophobicContact CD2-CD1 4.48Å; W39-Y46 AromaticContact CE3-CD1 3.2Å; W39-Y46 HydrophobicContact CE3-CD1 3.2Å; W39-Y46 HydrophobicContact CE3-CD2 4.16Å; W39-Y46 AromaticContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE2 4.3Å; W39-Y46 AromaticContact CE3-CG 3.62Å; W39-Y46 HydrophobicContact CE3-CG 3.62Å; W39-Y46 AromaticContact CE3-CZ 3.92Å; W39-Y46 AromaticContact CZ3-CD1 3.42Å; W39-Y46 HydrophobicContact CZ3-CD1 3.42Å; W39-Y46 VanDerWaalsContact CZ3-CD1 3.42Å; W39-Y46 AromaticContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CG 4.26Å; W39-R47 HydrophobicContact CZ3-CG 4.41Å; W39-E140 HydrophobicContact CH2-CG 4.1Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.3Å; W39-E140 WeakPolarHBondContact CH2-OE2 3.5Å; W39-E140 HydrophobicContact CZ3-CG 4.26Å; W39-E140 WeakPolarHBondContact CZ3-OE2 3.43Å
40P96.6Very high97.9Very high109 Ų10968.1 Ų68.171%0.70834%0.341SS*.Hα-helixtrans-73.9-21.717829.1-35.9000114.1C36 I37C36-P40 WeakPolarHBondContact O-CD 3.47Å; I37-P40 WeakPolarHBondContact O-CD 3.16Å
41I97.4Very high97.9Very high130 Ų13061.8 Ų61.867%0.66731%0.313SS*.Hα-helixtrans-88.6-48.9-174.9-57.4172.3000111.1I37 L38 W39I37-I41 HydrophobicContact CG2-CD1 4.41Å; I37-I41 WeakPolarHBondContact O-CD1 3.33Å; L38-I41 PolarHBondContact O-N 3.37Å; W39-I41 VanDerWaalsContact C-N 3.35Å
42N97.6Very high97.9Very high74 Ų7466.3 Ų66.340%0.39633%0.326SS..  trans-151.283.5-178-170.1-26.4000110L38 Q44 L45 Y46L38-N42 CarbonylContact O-C 3.5Å; L38-N42 PolarHBondContact O-N 3.29Å; N42-Q44 PolarHBondContact O-N 2.54Å; N42-Q44 PolarHBondContact OD1-N 3.2Å; N42-L45 HydrophobicContact CB-CB 4Å; N42-L45 VanDerWaalsContact CG-CB 3.49Å; N42-L45 PolarHBondContact O-N 3.01Å; N42-L45 VanDerWaalsContact O-N 3.15Å; N42-L45 WeakPolarHBondContact OD1-CB 3.38Å; N42-L45 PolarHBondContact OD1-N 3.19Å; N42-Y46 PolarHBondContact O-N 3.11Å
43R96.9Very high97.9Very high100 Ų10067.7 Ų67.738%0.37733%0.333SS..Hα-helixtrans-52.8-36.5177.4-177.3168.472.6-165.63.5113.1W39 Y46 R47 D164W39-R43 HydrophobicContact CD2-CG 4.43Å; W39-R43 HydrophobicContact CE3-CG 3.98Å; W39-R43 HydrophobicContact CH2-CG 3.58Å; W39-R43 HydrophobicContact CZ2-CG 4.1Å; W39-R43 HydrophobicContact CZ3-CG 3.55Å; W39-R43 PolarHBondContact O-N 3.13Å; R43-Y46 WeakPolarHBondContact O-CB 3.39Å; R43-Y46 PolarHBondContact O-N 3.31Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.32Å; R43-R47 PolarHBondContact O-N 2.8Å; R43-D164 IonicContact CZ-OD2 3.28Å; R43-D164 IonicContact NE-OD2 2.64Å; R43-D164 IonicContact NH2-OD1 3.51Å; R43-D164 IonicContact NH2-OD2 2.91Å; R43-D164 PolarHBondContact NH2-OD2 3.11Å
44Q97.9Very high97.9Very high54 Ų5462.8 Ų62.825%0.25231%0.307SS..Hα-helixtrans-70.6-41.2-178.3-61.6-61.2-13.700111.7N42 R47 R48 D164N42-Q44 PolarHBondContact O-N 2.54Å; N42-Q44 PolarHBondContact OD1-N 3.2Å; Q44-R47 PolarHBondContact O-N 2.92Å; Q44-R48 WeakPolarHBondContact O-CG 3.43Å; Q44-R48 PolarHBondContact O-N 2.87Å; Q44-D164 PolarHBondContact NE2-O 3.01Å; Q44-D164 PolarHBondContact NE2-OD2 3.45Å; Q44-D164 PolarHBondContact OE1-O 3.22Å
45L98.3Very high97.9Very high73 Ų7361.9 Ų61.938%0.38230%0.295SS..Hα-helixtrans-64.8-43.7173.1-179.360.4000111.4L38 N42 R47 R48 I49L38-L45 HydrophobicContact CD1-CD2 4.44Å; L38-L45 HydrophobicContact CD1-CG 4.44Å; N42-L45 HydrophobicContact CB-CB 4Å; N42-L45 VanDerWaalsContact CG-CB 3.49Å; N42-L45 PolarHBondContact O-N 3.01Å; N42-L45 VanDerWaalsContact O-N 3.15Å; N42-L45 WeakPolarHBondContact OD1-CB 3.38Å; N42-L45 PolarHBondContact OD1-N 3.19Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 2.69Å; L45-R48 PolarHBondContact O-N 2.85Å; L45-I49 HydrophobicContact CD1-CD1 3.86Å; L45-I49 HydrophobicContact CD1-CG1 4.08Å; L45-I49 HydrophobicContact CD2-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 2.89Å
46Y98.4Very high97.9Very high10 Ų1062.2 Ų62.24%0.03930%0.297CS..Hα-helixtrans-51.5-50.6172.8169.2-85.3000111.4T35 W39 N42 R43 I49 N50 F138T35-Y46 VanDerWaalsContact O-CD2 3.29Å; T35-Y46 WeakPolarHBondContact O-CD2 3.43Å; T35-Y46 WeakPolarHBondContact OG1-CD2 3.31Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.28Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.37Å; W39-Y46 HydrophobicContact CB-CD2 4.21Å; W39-Y46 HydrophobicContact CB-CE2 4.48Å; W39-Y46 HydrophobicContact CD2-CD1 4.48Å; W39-Y46 AromaticContact CE3-CD1 3.2Å; W39-Y46 HydrophobicContact CE3-CD1 3.2Å; W39-Y46 HydrophobicContact CE3-CD2 4.16Å; W39-Y46 AromaticContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE2 4.3Å; W39-Y46 AromaticContact CE3-CG 3.62Å; W39-Y46 HydrophobicContact CE3-CG 3.62Å; W39-Y46 AromaticContact CE3-CZ 3.92Å; W39-Y46 AromaticContact CZ3-CD1 3.42Å; W39-Y46 HydrophobicContact CZ3-CD1 3.42Å; W39-Y46 VanDerWaalsContact CZ3-CD1 3.42Å; W39-Y46 AromaticContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CG 4.26Å; N42-Y46 PolarHBondContact O-N 3.11Å; R43-Y46 WeakPolarHBondContact O-CB 3.39Å; R43-Y46 PolarHBondContact O-N 3.31Å; Y46-I49 PolarHBondContact O-N 2.96Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.29Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.4Å; Y46-N50 VanDerWaalsContact CZ-ND2 3.33Å; Y46-N50 WeakPolarHBondContact O-CB 3.44Å; Y46-N50 PolarHBondContact O-N 3.02Å; Y46-N50 PolarHBondContact O-ND2 3.2Å; Y46-F138 WeakPolarHBondContact CE1-O 3.27Å; Y46-F138 WeakPolarHBondContact OH-CA 3.5Å; Y46-F138 WeakPolarHBondContact OH-CD1 3.32Å; Y46-F138 PolarHBondContact OH-O 3.49Å
47R98.4Very high98Very high0 Ų060 Ų600%028%0.282CS..Hα-helixtrans-63-45.6-178.2-75.1170.9174.6177.9-8.8111.9W39 R43 Q44 L45 N50 C51 E140 R161 D164 Y165 P166W39-R47 HydrophobicContact CZ3-CG 4.41Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.32Å; R43-R47 PolarHBondContact O-N 2.8Å; Q44-R47 PolarHBondContact O-N 2.92Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 2.69Å; R47-N50 PolarHBondContact O-N 3.25Å; R47-C51 WeakPolarHBondContact O-CB 3.24Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 3.1Å; R47-C51 VanDerWaalsContact O-SG 3.41Å; R47-E140 WeakPolarHBondContact CG-OE2 3.2Å; R47-E140 IonicContact CZ-OE1 2.9Å; R47-E140 IonicContact CZ-OE2 3.28Å; R47-E140 IonicContact NE-OE1 3.64Å; R47-E140 IonicContact NE-OE2 2.64Å; R47-E140 PolarHBondContact NE-OE2 3.47Å; R47-E140 IonicContact NH2-OE1 3.39Å; R47-E140 PolarHBondContact NH2-OE1 2.87Å; R47-E140 IonicContact NH2-OE2 3.2Å; R47-E140 PolarHBondContact NH2-OE2 3.22Å; R47-R161 PolarHBondContact NH2-O 3.36Å; R47-D164 IonicContact CZ-OD1 2.88Å; R47-D164 PolarHBondContact NH1-O 3.41Å; R47-D164 IonicContact NH1-OD1 3.23Å; R47-D164 PolarHBondContact NH1-OD1 3.38Å; R47-D164 IonicContact NH1-OD2 3.99Å; R47-D164 PolarHBondContact NH1-OD2 2.83Å; R47-D164 IonicContact NH2-OD1 2.79Å; R47-Y165 HydrophobicContact CB-CE2 4.18Å; R47-Y165 HydrophobicContact CG-CD2 4.28Å; R47-Y165 HydrophobicContact CG-CE2 3.76Å; R47-P166 HydrophobicContact CB-CG 3.72Å
48R98.5Very high98Very high133 Ų13354.2 Ų54.250%0.50225%0.253SS..Hα-helixtrans-60.2-47.6178-73.3179.1179.2171.32.3111.6Q44 L45 C51 R52 P166 E167Q44-R48 WeakPolarHBondContact O-CG 3.43Å; Q44-R48 PolarHBondContact O-N 2.87Å; L45-R48 PolarHBondContact O-N 2.85Å; R48-C51 WeakPolarHBondContact O-CB 3.36Å; R48-C51 PolarHBondContact O-N 2.9Å; R48-R52 WeakPolarHBondContact O-CG 3.29Å; R48-R52 PolarHBondContact O-N 2.66Å; R48-P166 HydrophobicContact CG-CB 4.17Å; R48-P166 HydrophobicContact CG-CG 3.89Å; R48-E167 HydrophobicContact CG-CG 4.49Å
49I98.6Very high98.1Very high56 Ų5651.9 Ų51.929%0.28724%0.24SC..Hα-helixtrans-61.4-48.3177.8-67.3169.5000110.3T35 L38 L45 Y46 C51 R52 L53T35-I49 HydrophobicContact CG2-CG2 3.72Å; L38-I49 HydrophobicContact CD1-CD1 3.58Å; L45-I49 HydrophobicContact CD1-CD1 3.86Å; L45-I49 HydrophobicContact CD1-CG1 4.08Å; L45-I49 HydrophobicContact CD2-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 2.89Å; Y46-I49 PolarHBondContact O-N 2.96Å; I49-C51 VanDerWaalsContact C-N 3.27Å; I49-C51 PolarHBondContact O-N 2.91Å; I49-R52 PolarHBondContact O-N 2.9Å; I49-L53 HydrophobicContact CG2-CD1 3.74Å; I49-L53 HydrophobicContact CG2-CG 4.2Å; I49-L53 WeakPolarHBondContact O-CG 3.42Å; I49-L53 PolarHBondContact O-N 2.99Å
50N98.6Very high98.2Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-62.4-32.7179.2-82.2-72.6000112.8Q32 T35 Y46 R47 S54 F138 L139Q32-N50 WeakPolarHBondContact CB-OD1 3.5Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.39Å; Q32-N50 PolarHBondContact NE2-OD1 2.94Å; T35-N50 PolarHBondContact OG1-ND2 3.46Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.29Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.4Å; Y46-N50 VanDerWaalsContact CZ-ND2 3.33Å; Y46-N50 WeakPolarHBondContact O-CB 3.44Å; Y46-N50 PolarHBondContact O-N 3.02Å; Y46-N50 PolarHBondContact O-ND2 3.2Å; R47-N50 PolarHBondContact O-N 3.25Å; N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.24Å; N50-S54 PolarHBondContact O-N 3.07Å; N50-S54 PolarHBondContact O-OG 3.26Å; N50-F138 WeakPolarHBondContact OD1-CB 3.48Å; N50-L139 HydrophobicContact CB-CD2 4.44Å
51C98.6Very high98.2Very high4 Ų443.9 Ų43.93%0.02720%0.198CC..Hα-helixtrans-63.6-40.4171.4-790000112.5R47 R48 I49 Y55 G116 Y165 E167R47-C51 WeakPolarHBondContact O-CB 3.24Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 3.1Å; R47-C51 VanDerWaalsContact O-SG 3.41Å; R48-C51 WeakPolarHBondContact O-CB 3.36Å; R48-C51 PolarHBondContact O-N 2.9Å; I49-C51 VanDerWaalsContact C-N 3.27Å; I49-C51 PolarHBondContact O-N 2.91Å; C51-Y55 WeakPolarHBondContact O-CB 3.42Å; C51-Y55 PolarHBondContact O-N 2.85Å; C51-G116 WeakPolarHBondContact CA-O 3.23Å; C51-G116 VanDerWaalsContact O-CA 3.29Å; C51-G116 WeakPolarHBondContact O-CA 3.47Å; C51-G116 PolarHBondContact SG-O 3.12Å; C51-Y165 PolarHBondContact SG-OH 2.86Å; C51-E167 HydrophobicContact CB-CG 4.41Å
52R98.5Very high98.3Very high165 Ų16537.7 Ų37.762%0.62317%0.166SC*.Hα-helixtrans-71.7-40.1177.7-55.6-52.4167.9138.8-8.2112.5R48 I49 Y55 S56 E167R48-R52 WeakPolarHBondContact O-CG 3.29Å; R48-R52 PolarHBondContact O-N 2.66Å; I49-R52 PolarHBondContact O-N 2.9Å; R52-Y55 WeakPolarHBondContact O-CB 3.29Å; R52-Y55 PolarHBondContact O-N 3.1Å; R52-S56 PolarHBondContact O-N 2.97Å; R52-S56 VanDerWaalsContact O-N 3.11Å; R52-E167 IonicContact NE-OE1 3.53Å; R52-E167 IonicContact NH2-OE1 2.76Å; R52-E167 PolarHBondContact NH2-OE1 3.23Å
53L98.6Very high98.3Very high28 Ų2834.5 Ų34.515%0.14715%0.149CC..Hα-helixtrans-61.1-46.9173.6-72.1174000111.1I28 I31 Q32 T35 I49 Y55 S56 L57I28-L53 HydrophobicContact CG2-CB 3.99Å; I28-L53 HydrophobicContact CG2-CD2 4.5Å; I31-L53 HydrophobicContact CB-CD1 4.4Å; I31-L53 HydrophobicContact CB-CD2 4.43Å; I31-L53 HydrophobicContact CG2-CD1 3.8Å; I31-L53 HydrophobicContact CG2-CD2 4.02Å; Q32-L53 HydrophobicContact CB-CD1 4.47Å; Q32-L53 HydrophobicContact CG-CB 4.02Å; Q32-L53 HydrophobicContact CG-CD1 3.55Å; Q32-L53 HydrophobicContact CG-CG 4.4Å; T35-L53 HydrophobicContact CG2-CD1 4.21Å; I49-L53 HydrophobicContact CG2-CD1 3.74Å; I49-L53 HydrophobicContact CG2-CG 4.2Å; I49-L53 WeakPolarHBondContact O-CG 3.42Å; I49-L53 PolarHBondContact O-N 2.99Å; L53-Y55 PolarHBondContact O-N 3.24Å; L53-S56 WeakPolarHBondContact O-CB 3.16Å; L53-S56 PolarHBondContact O-N 2.87Å; L53-L57 PolarHBondContact O-N 3.3Å
54S98.3Very high98.3Very high0 Ų031 Ų310%014%0.137CC..Hα-helixtrans-64.6-39.3176.7-56.30000112.5N50 S56 L57 W58 T135 L139N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.24Å; N50-S54 PolarHBondContact O-N 3.07Å; N50-S54 PolarHBondContact O-OG 3.26Å; S54-S56 VanDerWaalsContact C-N 3.3Å; S54-S56 PolarHBondContact O-N 2.94Å; S54-L57 PolarHBondContact O-N 3.34Å; S54-L57 VanDerWaalsContact O-N 3.15Å; S54-W58 VanDerWaalsContact O-CG 3.25Å; S54-W58 PolarHBondContact O-N 3.28Å; S54-T135 WeakPolarHBondContact OG-CG2 3.45Å; S54-L139 VanDerWaalsContact OG-CD1 3.32Å; S54-L139 WeakPolarHBondContact OG-CD1 3.27Å; S54-L139 WeakPolarHBondContact OG-CD2 3.02Å; S54-L139 VanDerWaalsContact OG-CG 3.24Å; S54-L139 WeakPolarHBondContact OG-CG 3.41Å
55Y98.7Very high98.3Very high48 Ų4828.5 Ų28.519%0.18813%0.125CC..Hα-helixtrans-53.1-49.5172.1174-86.9000111C51 R52 L53 L57 W58 S59 E110 L115 W306C51-Y55 WeakPolarHBondContact O-CB 3.42Å; C51-Y55 PolarHBondContact O-N 2.85Å; R52-Y55 WeakPolarHBondContact O-CB 3.29Å; R52-Y55 PolarHBondContact O-N 3.1Å; L53-Y55 PolarHBondContact O-N 3.24Å; Y55-L57 PolarHBondContact O-N 3.1Å; Y55-W58 PolarHBondContact O-N 2.88Å; Y55-S59 WeakPolarHBondContact O-CB 3.36Å; Y55-S59 PolarHBondContact O-N 3.06Å; Y55-S59 PolarHBondContact O-OG 3.23Å; Y55-S59 VanDerWaalsContact O-OG 3.07Å; Y55-E110 WeakPolarHBondContact CE2-OE2 3.38Å; Y55-E110 PolarHBondContact OH-OE1 2.81Å; Y55-E110 PolarHBondContact OH-OE2 3.38Å; Y55-E110 VanDerWaalsContact OH-OE2 3.08Å; Y55-L115 HydrophobicContact CD2-CB 4.01Å; Y55-L115 HydrophobicContact CD2-CD2 4.09Å; Y55-L115 HydrophobicContact CD2-CG 4.38Å; Y55-L115 HydrophobicContact CE2-CB 4.32Å; Y55-L115 HydrophobicContact CE2-CD2 4.15Å; Y55-W306 WeakPolarHBondContact OH-CB 3.42Å
56S98.6Very high98.2Very high17 Ų1725 Ų2512%0.11911%0.107CC..Hα-helixtrans-60.8-28.2-178.9-169.70000113.4R52 L53 S54 S59 Q60 N310 W314R52-S56 PolarHBondContact O-N 2.97Å; R52-S56 VanDerWaalsContact O-N 3.11Å; L53-S56 WeakPolarHBondContact O-CB 3.16Å; L53-S56 PolarHBondContact O-N 2.87Å; S54-S56 VanDerWaalsContact C-N 3.3Å; S54-S56 PolarHBondContact O-N 2.94Å; S56-S59 PolarHBondContact O-OG 3.06Å; S56-Q60 PolarHBondContact O-NE2 3.41Å; S56-N310 PolarHBondContact O-ND2 3.48Å; S56-N310 PolarHBondContact OG-OD1 3.19Å; S56-W314 PolarHBondContact OG-NE1 3.05Å
57L98.2Very high98.2Very high0 Ų028.8 Ų28.80%012%0.122CC..Hα-helixtrans-80.6-51.4174.3-174.158.3000112F21 I28 L53 S54 Y55 S59 Q60 T135F21-L57 HydrophobicContact CD2-CD1 3.86Å; F21-L57 HydrophobicContact CE2-CD1 3.44Å; F21-L57 VanDerWaalsContact CE2-CD1 3.44Å; F21-L57 HydrophobicContact CE2-CG 4.02Å; F21-L57 HydrophobicContact CZ-CD1 3.96Å; F21-L57 HydrophobicContact CZ-CG 4.42Å; I28-L57 HydrophobicContact CD1-CB 4.08Å; L53-L57 PolarHBondContact O-N 3.3Å; S54-L57 PolarHBondContact O-N 3.34Å; S54-L57 VanDerWaalsContact O-N 3.15Å; Y55-L57 PolarHBondContact O-N 3.1Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.33Å; L57-Q60 PolarHBondContact O-N 3.38Å; L57-T135 HydrophobicContact CD2-CG2 4.34Å; L57-T135 VanDerWaalsContact CD2-OG1 3.28Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.46Å
58W98Very high98.1Very high1 Ų130.9 Ų30.90%0.00413%0.13CC..Hα-helixtrans-66.8-33.1-177.6-54.6145.4000113.1S54 Y55 Q60 L61 V62 W106 L115 I132 T135 W136S54-W58 VanDerWaalsContact O-CG 3.25Å; S54-W58 PolarHBondContact O-N 3.28Å; Y55-W58 PolarHBondContact O-N 2.88Å; W58-Q60 PolarHBondContact O-N 3.3Å; W58-L61 HydrophobicContact CE3-CD1 4.22Å; W58-L61 WeakPolarHBondContact O-CB 3.49Å; W58-L61 PolarHBondContact O-N 3.21Å; W58-V62 PolarHBondContact O-N 3.31Å; W58-V62 VanDerWaalsContact O-N 3.08Å; W58-W106 AromaticContact CD2-CH2 3.83Å; W58-W106 HydrophobicContact CD2-CH2 3.83Å; W58-W106 HydrophobicContact CD2-CZ2 4.2Å; W58-W106 HydrophobicContact CD2-CZ3 4.31Å; W58-W106 AromaticContact CE3-CH2 3.65Å; W58-W106 HydrophobicContact CE3-CH2 3.65Å; W58-W106 HydrophobicContact CE3-CZ2 4.45Å; W58-W106 AromaticContact CE3-CZ3 3.99Å; W58-W106 HydrophobicContact CE3-CZ3 3.99Å; W58-W106 HydrophobicContact CG-CH2 4.32Å; W58-W106 HydrophobicContact CG-CZ2 4.43Å; W58-W106 HydrophobicContact CZ3-CH2 4.06Å; W58-L115 HydrophobicContact CB-CD1 3.9Å; W58-L115 HydrophobicContact CB-CD2 3.94Å; W58-L115 HydrophobicContact CB-CG 3.86Å; W58-I132 HydrophobicContact CH2-CB 4.38Å; W58-I132 HydrophobicContact CH2-CG1 4.5Å; W58-I132 HydrophobicContact CH2-CG2 4.02Å; W58-I132 HydrophobicContact CZ3-CG1 4.3Å; W58-I132 HydrophobicContact CZ3-CG2 4.41Å; W58-T135 HydrophobicContact CH2-CG2 4.09Å; W58-T135 HydrophobicContact CZ2-CG2 3.46Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.46Å; W58-W136 AromaticContact CH2-CD1 3.91Å; W58-W136 AromaticContact CH2-NE1 3.61Å; W58-W136 AromaticContact CZ2-CD1 3.43Å; W58-W136 VanDerWaalsContact CZ2-CD1 3.43Å; W58-W136 AromaticContact CZ2-NE1 3.32Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.32Å
59S98.5Very high98Very high0 Ų024.8 Ų24.80%011%0.107CC..Hα-helixtrans-61.2-25.8179.168.60000112.2Y55 S56 L57 M63 T307 N310Y55-S59 WeakPolarHBondContact O-CB 3.36Å; Y55-S59 PolarHBondContact O-N 3.06Å; Y55-S59 PolarHBondContact O-OG 3.23Å; Y55-S59 VanDerWaalsContact O-OG 3.07Å; S56-S59 PolarHBondContact O-OG 3.06Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.33Å; S59-M63 VanDerWaalsContact O-CB 3.24Å; S59-M63 WeakPolarHBondContact O-CB 3.49Å; S59-M63 PolarHBondContact O-N 3.31Å; S59-T307 WeakPolarHBondContact O-CB 3.34Å; S59-N310 PolarHBondContact OG-ND2 2.86Å
60Q98.3Very high97.9Very high4 Ų422.8 Ų22.82%0.01910%0.101CC..Hα-helixtrans-69.3-36.7174.8-62.7-179.355.300111.7F21 S24 S56 L57 W58 M63 M64 F311F21-Q60 HydrophobicContact CD2-CB 4.17Å; S24-Q60 PolarHBondContact OG-NE2 2.97Å; S24-Q60 PolarHBondContact OG-OE1 2.9Å; S56-Q60 PolarHBondContact O-NE2 3.41Å; L57-Q60 PolarHBondContact O-N 3.38Å; W58-Q60 PolarHBondContact O-N 3.3Å; Q60-M63 WeakPolarHBondContact O-CB 3.29Å; Q60-M63 PolarHBondContact O-N 3.43Å; Q60-M64 WeakPolarHBondContact O-CG 3.5Å; Q60-M64 PolarHBondContact O-N 2.86Å; Q60-F311 HydrophobicContact CG-CD2 4.35Å
61L97.4Very high97.8Very high24 Ų2422.9 Ų22.913%0.12610%0.101CC..Hα-helixtrans-71-42.1174.9-59.3178.2000110.9F21 W58 M63 M64 L65 L103 W106F21-L61 HydrophobicContact CD2-CD2 4.07Å; F21-L61 HydrophobicContact CD2-CG 4.39Å; F21-L61 HydrophobicContact CE2-CD1 4.05Å; F21-L61 HydrophobicContact CE2-CD2 3.71Å; F21-L61 HydrophobicContact CE2-CG 3.73Å; F21-L61 HydrophobicContact CZ-CD1 4.13Å; F21-L61 HydrophobicContact CZ-CD2 4.05Å; F21-L61 HydrophobicContact CZ-CG 4.25Å; W58-L61 HydrophobicContact CE3-CD1 4.22Å; W58-L61 WeakPolarHBondContact O-CB 3.49Å; W58-L61 PolarHBondContact O-N 3.21Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.18Å; L61-M64 HydrophobicContact CD2-CE 3.43Å; L61-M64 VanDerWaalsContact CD2-CE 3.43Å; L61-M64 WeakPolarHBondContact O-CB 3.49Å; L61-M64 PolarHBondContact O-N 2.89Å; L61-M64 VanDerWaalsContact O-N 3.16Å; L61-L65 PolarHBondContact O-N 2.92Å; L61-L65 VanDerWaalsContact O-N 3.16Å; L61-L103 HydrophobicContact CB-CD1 3.79Å; L61-W106 HydrophobicContact CD1-CZ3 3.71Å
62V98.4Very high97.7Very high0 Ų026.3 Ų26.30%012%0.117CC..Hα-helixtrans-62.1-38.1173.1179.30000110.7W58 M64 L65 E66 W106 E110 L115 T307W58-V62 PolarHBondContact O-N 3.31Å; W58-V62 VanDerWaalsContact O-N 3.08Å; V62-M64 VanDerWaalsContact C-N 3.31Å; V62-M64 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 3.37Å; V62-L65 VanDerWaalsContact O-N 3.14Å; V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 PolarHBondContact O-N 2.97Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; V62-E110 HydrophobicContact CG1-CB 4.02Å; V62-E110 HydrophobicContact CG1-CG 4.17Å; V62-L115 HydrophobicContact CG2-CD1 4.16Å; V62-L115 HydrophobicContact CG2-CD2 3.95Å; V62-T307 HydrophobicContact CB-CG2 4.18Å; V62-T307 HydrophobicContact CG1-CG2 3.99Å
63M98.2Very high97.6Very high7 Ų718.6 Ų18.63%0.0349%0.088CC..Hα-helixtrans-59.1-43.2174-176.3-75.3-53.400111.5S59 Q60 L61 L65 E66 W67 W68 L308 F311S59-M63 VanDerWaalsContact O-CB 3.24Å; S59-M63 WeakPolarHBondContact O-CB 3.49Å; S59-M63 PolarHBondContact O-N 3.31Å; Q60-M63 WeakPolarHBondContact O-CB 3.29Å; Q60-M63 PolarHBondContact O-N 3.43Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.18Å; M63-L65 VanDerWaalsContact C-N 3.3Å; M63-L65 PolarHBondContact O-N 3.28Å; M63-E66 PolarHBondContact O-N 2.65Å; M63-W67 HydrophobicContact CG-CB 4.24Å; M63-W67 HydrophobicContact CG-CG 4.42Å; M63-W67 WeakPolarHBondContact O-CA 3.48Å; M63-W67 WeakPolarHBondContact O-CB 3.49Å; M63-W67 PolarHBondContact O-N 3.14Å; M63-W67 HydrophobicContact SD-CB 4.24Å; M63-W68 PolarHBondContact O-N 2.84Å; M63-W68 VanDerWaalsContact O-N 3.14Å; M63-L308 HydrophobicContact CG-CD1 4.36Å; M63-F311 HydrophobicContact CB-CB 4.44Å; M63-F311 HydrophobicContact CE-CB 3.91Å; M63-F311 HydrophobicContact CE-CD1 3.59Å; M63-F311 HydrophobicContact CE-CD2 3.36Å; M63-F311 HydrophobicContact CE-CE1 3.92Å; M63-F311 HydrophobicContact CE-CE2 3.7Å; M63-F311 HydrophobicContact CE-CG 3.3Å; M63-F311 HydrophobicContact CE-CZ 3.98Å; M63-F311 HydrophobicContact CG-CB 3.93Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.43Å; M63-F311 HydrophobicContact SD-CD1 4.1Å; M63-F311 HydrophobicContact SD-CG 4.17Å
64M97.3Very high97.5Very high27 Ų2718 Ų1813%0.1339%0.086CC..Iπ-helixtrans-61.1-38.8176-69.6-165.3-53.300112.5Q60 L61 V62 W68 S69 I243Q60-M64 WeakPolarHBondContact O-CG 3.5Å; Q60-M64 PolarHBondContact O-N 2.86Å; L61-M64 HydrophobicContact CD2-CE 3.43Å; L61-M64 VanDerWaalsContact CD2-CE 3.43Å; L61-M64 WeakPolarHBondContact O-CB 3.49Å; L61-M64 PolarHBondContact O-N 2.89Å; L61-M64 VanDerWaalsContact O-N 3.16Å; V62-M64 VanDerWaalsContact C-N 3.31Å; V62-M64 PolarHBondContact O-N 2.82Å; M64-W68 WeakPolarHBondContact O-CB 3.36Å; M64-S69 PolarHBondContact O-N 2.88Å; M64-I243 HydrophobicContact CB-CG2 4.34Å
65L97.8Very high97.5Very high1 Ų118.1 Ų18.11%0.0059%0.086CC..Iπ-helixtrans-72.2-48.3178.3-172.567000112.3L61 V62 M63 S69 T71 I100 L103 T107 I243L61-L65 PolarHBondContact O-N 2.92Å; L61-L65 VanDerWaalsContact O-N 3.16Å; V62-L65 PolarHBondContact O-N 3.37Å; V62-L65 VanDerWaalsContact O-N 3.14Å; M63-L65 VanDerWaalsContact C-N 3.3Å; M63-L65 PolarHBondContact O-N 3.28Å; L65-S69 PolarHBondContact O-OG 2.66Å; L65-T71 HydrophobicContact CD1-CG2 3.75Å; L65-T71 HydrophobicContact CG-CG2 4.17Å; L65-T71 WeakPolarHBondContact O-CB 3.48Å; L65-T71 PolarHBondContact O-N 3.36Å; L65-I100 HydrophobicContact CD1-CD1 4.23Å; L65-L103 HydrophobicContact CB-CD2 3.83Å; L65-L103 HydrophobicContact CB-CG 3.89Å; L65-L103 HydrophobicContact CD1-CD2 4.11Å; L65-L103 HydrophobicContact CD1-CG 4.44Å; L65-L103 HydrophobicContact CD2-CB 4.17Å; L65-L103 HydrophobicContact CD2-CD2 4.27Å; L65-L103 HydrophobicContact CD2-CG 3.7Å; L65-L103 WeakPolarHBondContact CD2-O 3.35Å; L65-L103 HydrophobicContact CG-CD2 4.28Å; L65-L103 HydrophobicContact CG-CG 4.21Å; L65-T107 VanDerWaalsContact CD2-OG1 3.3Å; L65-T107 WeakPolarHBondContact CD2-OG1 3.38Å; L65-I243 HydrophobicContact CD1-CD1 3.68Å; L65-I243 HydrophobicContact CD1-CG1 4.04Å; L65-I243 HydrophobicContact CD1-CG2 4.3Å
66E96.9Very high97.5Very high1 Ų116.1 Ų16.11%0.0058%0.078CC..Iπ-helixtrans-82.5-45.5-171.5-66.9-159.5128.300113.1V62 M63 G70 T107 R111 R303V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 PolarHBondContact O-N 2.97Å; M63-E66 PolarHBondContact O-N 2.65Å; E66-G70 WeakPolarHBondContact O-CA 3.46Å; E66-T107 HydrophobicContact CG-CG2 4.11Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.35Å; E66-R111 IonicContact OE1-CZ 3.37Å; E66-R111 IonicContact OE1-NE 3.05Å; E66-R111 PolarHBondContact OE1-NE 3.41Å; E66-R111 IonicContact OE1-NH2 2.8Å; E66-R111 PolarHBondContact OE1-NH2 2.87Å; E66-R303 PolarHBondContact O-NH1 3.06Å; E66-R303 VanDerWaalsContact O-NH1 3.16Å; E66-R303 PolarHBondContact O-NH2 2.93Å
67W97.2Very high97.5Very high89 Ų8915.4 Ų15.434%0.3377%0.073SC..Iπ-helixtrans-99.2-43.2-169.9-62.191.5000111.9M63 R303 T307 L308M63-W67 HydrophobicContact CG-CB 4.24Å; M63-W67 HydrophobicContact CG-CG 4.42Å; M63-W67 WeakPolarHBondContact O-CA 3.48Å; M63-W67 WeakPolarHBondContact O-CB 3.49Å; M63-W67 PolarHBondContact O-N 3.14Å; M63-W67 HydrophobicContact SD-CB 4.24Å; W67-R303 HydrophobicContact CZ2-CB 4.07Å; W67-T307 PolarHBondContact NE1-OG1 2.82Å; W67-T307 VanDerWaalsContact NE1-OG1 3.07Å; W67-L308 HydrophobicContact CD2-CB 4.08Å; W67-L308 HydrophobicContact CD2-CD2 4.05Å; W67-L308 HydrophobicContact CE3-CD2 3.83Å; W67-L308 HydrophobicContact CG-CB 4.21Å; W67-L308 HydrophobicContact CH2-CD2 4.45Å; W67-L308 HydrophobicContact CZ2-CB 4.48Å; W67-L308 HydrophobicContact CZ3-CD2 4.03Å
68W96.6Very high97.4Very high44 Ų4418.5 Ų18.517%0.1679%0.09CC..Iπ-helixtrans-75.5-56.5-179177.3-102000112.4K8 L13 M17 M63 M64 G70 I243 V244K8-W68 VanDerWaalsContact CA-CZ2 3.44Å; K8-W68 HydrophobicContact CB-CH2 4.04Å; K8-W68 HydrophobicContact CB-CZ2 3.56Å; K8-W68 HydrophobicContact CD-CD2 4.46Å; K8-W68 VanDerWaalsContact CE-O 3.27Å; K8-W68 WeakPolarHBondContact CE-O 3.42Å; K8-W68 HydrophobicContact CG-CD2 4.3Å; K8-W68 HydrophobicContact CG-CE3 4.36Å; K8-W68 HydrophobicContact CG-CH2 3.75Å; K8-W68 HydrophobicContact CG-CZ2 3.66Å; K8-W68 HydrophobicContact CG-CZ3 4.09Å; K8-W68 PolarHBondContact NZ-O 3.12Å; K8-W68 WeakPolarHBondContact O-CZ2 3.38Å; L13-W68 HydrophobicContact CB-CH2 4.15Å; L13-W68 HydrophobicContact CD1-CH2 3.99Å; M17-W68 HydrophobicContact CE-CD2 3.98Å; M17-W68 VanDerWaalsContact CE-CE2 3.47Å; M17-W68 HydrophobicContact CE-CE3 4.39Å; M17-W68 HydrophobicContact CE-CH2 3.86Å; M17-W68 HydrophobicContact CE-CZ2 3.39Å; M17-W68 HydrophobicContact CE-CZ3 4.34Å; M17-W68 HydrophobicContact SD-CD2 3.86Å; M17-W68 HydrophobicContact SD-CE3 3.95Å; M17-W68 HydrophobicContact SD-CG 4.32Å; M17-W68 HydrophobicContact SD-CH2 4.29Å; M17-W68 HydrophobicContact SD-CZ2 4.21Å; M17-W68 HydrophobicContact SD-CZ3 4.17Å; M63-W68 PolarHBondContact O-N 2.84Å; M63-W68 VanDerWaalsContact O-N 3.14Å; M64-W68 WeakPolarHBondContact O-CB 3.36Å; W68-G70 VanDerWaalsContact C-N 3.34Å; W68-I243 VanDerWaalsContact CD1-O 3.22Å; W68-V244 PolarHBondContact NE1-O 3.45Å
69S96.5Very high97.3Very high4 Ų423.3 Ų23.33%0.02811%0.112CC..SBendtrans-80.3-19.9178.480.60000113.1M64 L65 T71 K247 K248M64-S69 PolarHBondContact O-N 2.88Å; L65-S69 PolarHBondContact O-OG 2.66Å; S69-T71 PolarHBondContact O-N 2.81Å; S69-T71 PolarHBondContact OG-N 3.25Å; S69-T71 PolarHBondContact OG-OG1 2.91Å; S69-K247 WeakPolarHBondContact CB-O 3.47Å; S69-K248 VanDerWaalsContact O-CA 3.3Å; S69-K248 WeakPolarHBondContact O-CA 3.09Å; S69-K248 WeakPolarHBondContact O-CB 3.29Å; S69-K248 PolarHBondContact O-N 2.62Å
70G96.4Very high97.2Very high15 Ų1526.4 Ų26.416%0.15514%0.138CC..  trans71.917.7-177.900000113.2E66 W68 K248 R303E66-G70 WeakPolarHBondContact O-CA 3.46Å; W68-G70 VanDerWaalsContact C-N 3.34Å; G70-K248 WeakPolarHBondContact O-CD 3.45Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.48Å; G70-K248 WeakPolarHBondContact O-CG 2.87Å; G70-R303 PolarHBondContact O-NH2 3.21Å
71T96.9Very high97.1Very high1 Ų126.7 Ų26.71%0.00614%0.14CC..  trans-58.6139.8179.5-68.30000110.4L65 S69 Y249 R303L65-T71 HydrophobicContact CD1-CG2 3.75Å; L65-T71 HydrophobicContact CG-CG2 4.17Å; L65-T71 WeakPolarHBondContact O-CB 3.48Å; L65-T71 PolarHBondContact O-N 3.36Å; S69-T71 PolarHBondContact O-N 2.81Å; S69-T71 PolarHBondContact OG-N 3.25Å; S69-T71 PolarHBondContact OG-OG1 2.91Å; T71-Y249 WeakPolarHBondContact CA-O 3.37Å; T71-Y249 WeakPolarHBondContact CG2-O 3.38Å; T71-Y249 PolarHBondContact OG1-N 2.82Å; T71-R303 PolarHBondContact O-NH2 3.25Å
72E96.1Very high97.1Very high77 Ų7726.2 Ų26.236%0.3614%0.138SC..EExtended strand (participates in β ladder)trans-106.6142.5179.3-74.1165.2-177.800109.5K248 Y249 A251E72-K248 VanDerWaalsContact CD-CE 3.41Å; E72-K248 WeakPolarHBondContact OE1-CE 3.39Å; E72-K248 IonicContact OE1-NZ 2.65Å; E72-K248 PolarHBondContact OE1-NZ 2.91Å; E72-K248 IonicContact OE2-NZ 3.41Å; E72-K248 PolarHBondContact OE2-NZ 2.64Å; E72-Y249 PolarHBondContact N-O 2.88Å; E72-A251 PolarHBondContact O-N 3.11Å
73C96.4Very high97.1Very high2 Ų230.2 Ų30.21%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-126.8119.9175.8-58.80000108.8T107 M108 R111 A251 L253C73-T107 HydrophobicContact CB-CG2 4.35Å; C73-M108 HydrophobicContact CB-CE 3.27Å; C73-R111 PolarHBondContact O-NH1 3.11Å; C73-A251 CarbonylContact C-O 3.52Å; C73-A251 VanDerWaalsContact CA-O 3.32Å; C73-A251 WeakPolarHBondContact CA-O 3.42Å; C73-A251 HydrophobicContact CB-CB 4.5Å; C73-L253 HydrophobicContact CB-CD1 3.98Å
74T97.5Very high97.1Very high17 Ų1734.9 Ų34.910%0.10418%0.18CC..EExtended strand (participates in β ladder)trans-105.6124.7-178.5-49.50000108.8Y76 A251 D252 L253 T298 I300T74-Y76 HydrophobicContact CG2-CD2 4.2Å; T74-Y76 HydrophobicContact CG2-CE2 3.59Å; T74-A251 PolarHBondContact N-O 2.97Å; T74-D252 VanDerWaalsContact CB-OD1 3.29Å; T74-D252 WeakPolarHBondContact CB-OD1 3.47Å; T74-D252 PolarHBondContact OG1-OD1 3.23Å; T74-L253 PolarHBondContact O-N 3.45Å; T74-T298 HydrophobicContact CG2-CG2 3.17Å; T74-I300 HydrophobicContact CG2-CG1 4.43Å
75L97.9Very high97.1Very high1 Ų134.1 Ų34.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-90.4135.4173-67.8178.8000110.3T77 F85 M108 Y112 L253 V255 T298 I299 P301L75-T77 HydrophobicContact CB-CG2 4.36Å; L75-F85 HydrophobicContact CD1-CE2 4.07Å; L75-M108 HydrophobicContact CD1-SD 3.9Å; L75-M108 HydrophobicContact CD2-CE 4.16Å; L75-M108 HydrophobicContact CD2-CG 4.1Å; L75-M108 HydrophobicContact CD2-SD 3.57Å; L75-M108 VanDerWaalsContact CD2-SD 3.57Å; L75-M108 HydrophobicContact CG-CE 4.36Å; L75-M108 HydrophobicContact CG-SD 3.82Å; L75-Y112 HydrophobicContact CD1-CE2 4.22Å; L75-L253 CarbonylContact C-O 3.58Å; L75-L253 WeakPolarHBondContact CA-O 3.34Å; L75-L253 HydrophobicContact CD2-CB 3.98Å; L75-V255 HydrophobicContact CD2-CG2 4.03Å; L75-T298 CarbonylContact O-C 3.49Å; L75-T298 VanDerWaalsContact O-CA 3.31Å; L75-T298 WeakPolarHBondContact O-CA 3.45Å; L75-I299 HydrophobicContact CB-CB 4.34Å; L75-I299 WeakPolarHBondContact CB-O 3.23Å; L75-I299 PolarHBondContact N-O 3.19Å; L75-I299 PolarHBondContact O-N 3.04Å; L75-P301 HydrophobicContact CD1-CG 3.69Å; L75-P301 HydrophobicContact CG-CG 4.21Å
76Y98.2Very high97.1Very high7 Ų734.8 Ų34.83%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-11297.6169.2-65.1-106.6000107.8T74 D252 L253 R254 V255 K293 F294 P297T74-Y76 HydrophobicContact CG2-CD2 4.2Å; T74-Y76 HydrophobicContact CG2-CE2 3.59Å; Y76-D252 HydrophobicContact CD2-CB 4.18Å; Y76-D252 HydrophobicContact CE2-CB 3.51Å; Y76-D252 PolarHBondContact OH-OD2 3.34Å; Y76-L253 PolarHBondContact N-O 3.49Å; Y76-R254 WeakPolarHBondContact O-CA 3.35Å; Y76-R254 VanDerWaalsContact O-CD 3.31Å; Y76-R254 WeakPolarHBondContact O-CD 3.34Å; Y76-R254 PolarHBondContact O-NH1 3.08Å; Y76-V255 PolarHBondContact O-N 3.17Å; Y76-K293 HydrophobicContact CE1-CB 4.14Å; Y76-F294 HydrophobicContact CD1-CB 3.76Å; Y76-F294 WeakPolarHBondContact CD1-O 3.49Å; Y76-F294 HydrophobicContact CD2-CB 4.14Å; Y76-F294 HydrophobicContact CD2-CD2 4.03Å; Y76-F294 HydrophobicContact CE1-CB 4.21Å; Y76-F294 WeakPolarHBondContact CE1-O 3.41Å; Y76-F294 HydrophobicContact CE2-CD2 4.35Å; Y76-F294 HydrophobicContact CG-CB 3.7Å; Y76-F294 HydrophobicContact CG-CD2 4.4Å; Y76-P297 WeakPolarHBondContact CA-O 3.22Å
77T97.8Very high97.1Very high2 Ų241 Ų411%0.01221%0.21CC..SBendtrans-169.6159.8-175.8-164.50000110L75 T81 V82 V255 P297 I299L75-T77 HydrophobicContact CB-CG2 4.36Å; T77-T81 WeakPolarHBondContact OG1-CB 3.49Å; T77-T81 WeakPolarHBondContact OG1-CG2 3.31Å; T77-V82 HydrophobicContact CG2-CG2 3.56Å; T77-V255 VanDerWaalsContact CB-O 3.25Å; T77-V255 WeakPolarHBondContact CB-O 3.36Å; T77-V255 PolarHBondContact OG1-O 3.34Å; T77-P297 PolarHBondContact N-O 3.03Å; T77-P297 VanDerWaalsContact N-O 3.1Å; T77-P297 WeakPolarHBondContact O-CG 3.08Å; T77-I299 HydrophobicContact CG2-CD1 4.35Å
78D96.4Very high97.1Very high65 Ų6537.4 Ų37.435%0.34820%0.197SC..  trans-77.6158.7175.762.789.9000112.4A80 T81 V82D78-A80 VanDerWaalsContact C-N 3.31Å; D78-A80 PolarHBondContact O-N 3.39Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 3.15Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 PolarHBondContact O-N 2.59Å; D78-T81 PolarHBondContact OD1-N 3.29Å; D78-T81 PolarHBondContact OD1-OG1 3.28Å; D78-T81 PolarHBondContact OD2-OG1 2.93Å; D78-V82 PolarHBondContact O-N 3.15Å
79Q96.4Very high97.2Very high102 Ų10236.7 Ų36.748%0.47720%0.195SC..Hα-helixtrans-64.9-34.5-178.2-172.959.548.100112.4T81 V82 D83Q79-T81 VanDerWaalsContact C-N 3.27Å; Q79-T81 PolarHBondContact O-N 3.02Å; Q79-V82 PolarHBondContact O-N 3.21Å; Q79-D83 PolarHBondContact NE2-OD1 3.46Å; Q79-D83 PolarHBondContact O-N 3.21Å
80A96.8Very high97.3Very high65 Ų6536.5 Ų36.554%0.53719%0.194SC..Hα-helixtrans-63.8-34.6179.800000111.8D78D78-A80 VanDerWaalsContact C-N 3.31Å; D78-A80 PolarHBondContact O-N 3.39Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 3.15Å
81T97Very high97.4Very high10 Ų1035.8 Ų35.86%0.06119%0.186CC..Hα-helixtrans-64.1-47.4169.5-67.10000111.4T77 D78 Q79 D83 K84 F85 V255 R257T77-T81 WeakPolarHBondContact OG1-CB 3.49Å; T77-T81 WeakPolarHBondContact OG1-CG2 3.31Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 PolarHBondContact O-N 2.59Å; D78-T81 PolarHBondContact OD1-N 3.29Å; D78-T81 PolarHBondContact OD1-OG1 3.28Å; D78-T81 PolarHBondContact OD2-OG1 2.93Å; Q79-T81 VanDerWaalsContact C-N 3.27Å; Q79-T81 PolarHBondContact O-N 3.02Å; T81-D83 VanDerWaalsContact C-N 3.31Å; T81-D83 PolarHBondContact O-N 3.27Å; T81-K84 PolarHBondContact O-N 2.81Å; T81-F85 HydrophobicContact CG2-CD1 4.47Å; T81-F85 HydrophobicContact CG2-CE1 3.51Å; T81-F85 HydrophobicContact CG2-CZ 3.73Å; T81-F85 WeakPolarHBondContact O-CD1 3.36Å; T81-V255 HydrophobicContact CG2-CG1 4.45Å; T81-R257 HydrophobicContact CG2-CB 3.81Å
82V97.1Very high97.5Very high14 Ų1436.5 Ų36.59%0.08519%0.191CC..Hα-helixtrans-62.5-36.7179.4173.10000112.5T77 D78 Q79 K84 F85 Y112 I299T77-V82 HydrophobicContact CG2-CG2 3.56Å; D78-V82 PolarHBondContact O-N 3.15Å; Q79-V82 PolarHBondContact O-N 3.21Å; V82-K84 PolarHBondContact O-N 2.77Å; V82-F85 HydrophobicContact CG2-CD2 4.35Å; V82-F85 HydrophobicContact CG2-CE2 4.12Å; V82-F85 WeakPolarHBondContact O-CB 3.4Å; V82-F85 PolarHBondContact O-N 3Å; V82-Y112 HydrophobicContact CG1-CE1 3.91Å; V82-Y112 WeakPolarHBondContact CG1-OH 3.44Å; V82-I299 HydrophobicContact CB-CD1 4.36Å; V82-I299 HydrophobicContact CG2-CD1 3.53Å
83D97.1Very high97.6Very high84 Ų8432.9 Ų32.945%0.44917%0.174SC..THydrogen-bonded Turntrans-61.9-20.2-178.9-68.7-20.2000113.1Q79 T81 K87Q79-D83 PolarHBondContact NE2-OD1 3.46Å; Q79-D83 PolarHBondContact O-N 3.21Å; T81-D83 VanDerWaalsContact C-N 3.31Å; T81-D83 PolarHBondContact O-N 3.27Å; D83-K87 WeakPolarHBondContact O-CD 3.41Å; D83-K87 PolarHBondContact O-NZ 3.04Å
84K98.1Very high97.7Very high105 Ų10533 Ų3346%0.45717%0.174SC..THydrogen-bonded Turntrans-88.8-18.9174.9-60.7-65.3-176176.60113.9T81 V82 G86 K87 E88T81-K84 PolarHBondContact O-N 2.81Å; V82-K84 PolarHBondContact O-N 2.77Å; K84-G86 PolarHBondContact O-N 3.23Å; K84-K87 PolarHBondContact O-N 3.02Å; K84-E88 HydrophobicContact CB-CG 4.36Å; K84-E88 WeakPolarHBondContact CB-OE1 3.23Å
85F97.9Very high97.6Very high10 Ų1032.1 Ų32.14%0.04417%0.169CC..THydrogen-bonded Turntrans-60.3134.3-176.2-71.5-3.7000112L75 T81 V82 K87 Y112 W170 Y226 V255L75-F85 HydrophobicContact CD1-CE2 4.07Å; T81-F85 HydrophobicContact CG2-CD1 4.47Å; T81-F85 HydrophobicContact CG2-CE1 3.51Å; T81-F85 HydrophobicContact CG2-CZ 3.73Å; T81-F85 WeakPolarHBondContact O-CD1 3.36Å; V82-F85 HydrophobicContact CG2-CD2 4.35Å; V82-F85 HydrophobicContact CG2-CE2 4.12Å; V82-F85 WeakPolarHBondContact O-CB 3.4Å; V82-F85 PolarHBondContact O-N 3Å; F85-K87 PolarHBondContact O-N 3.31Å; F85-Y112 HydrophobicContact CB-CD1 3.55Å; F85-Y112 HydrophobicContact CB-CD2 4.03Å; F85-Y112 HydrophobicContact CB-CE1 3.96Å; F85-Y112 HydrophobicContact CB-CE2 4.42Å; F85-Y112 HydrophobicContact CB-CG 3.58Å; F85-Y112 HydrophobicContact CD2-CD1 4.29Å; F85-Y112 AromaticContact CD2-CD2 3.75Å; F85-Y112 HydrophobicContact CD2-CD2 3.75Å; F85-Y112 HydrophobicContact CD2-CE1 4.02Å; F85-Y112 AromaticContact CD2-CE2 3.47Å; F85-Y112 HydrophobicContact CD2-CE2 3.47Å; F85-Y112 VanDerWaalsContact CD2-CE2 3.47Å; F85-Y112 HydrophobicContact CD2-CG 4.17Å; F85-Y112 AromaticContact CD2-CZ 3.6Å; F85-Y112 HydrophobicContact CE2-CE2 4.18Å; F85-Y112 HydrophobicContact CG-CD1 4.47Å; F85-Y112 HydrophobicContact CG-CD2 4.34Å; F85-Y112 HydrophobicContact CG-CE2 4.42Å; F85-Y112 HydrophobicContact CG-CG 4.38Å; F85-W170 HydrophobicContact CB-CH2 4.16Å; F85-W170 HydrophobicContact CB-CZ2 3.86Å; F85-W170 HydrophobicContact CD1-CH2 4.37Å; F85-W170 HydrophobicContact CD1-CZ2 4.16Å; F85-W170 HydrophobicContact CD2-CH2 4.24Å; F85-W170 HydrophobicContact CG-CH2 4.02Å; F85-W170 AromaticContact CG-CZ2 4Å; F85-W170 HydrophobicContact CG-CZ2 4Å; F85-Y226 HydrophobicContact CD1-CD2 4.25Å; F85-Y226 AromaticContact CD1-CE2 3.36Å; F85-Y226 HydrophobicContact CD1-CE2 3.36Å; F85-Y226 AromaticContact CD1-CZ 3.55Å; F85-Y226 WeakPolarHBondContact CD1-OH 3.39Å; F85-Y226 AromaticContact CE1-CD2 3.87Å; F85-Y226 HydrophobicContact CE1-CD2 3.87Å; F85-Y226 HydrophobicContact CE1-CE1 4.31Å; F85-Y226 AromaticContact CE1-CE2 3.4Å; F85-Y226 HydrophobicContact CE1-CE2 3.4Å; F85-Y226 VanDerWaalsContact CE1-CE2 3.4Å; F85-Y226 HydrophobicContact CE1-CG 4.49Å; F85-Y226 AromaticContact CE1-CZ 3.67Å; F85-Y226 HydrophobicContact CG-CE2 4.44Å; F85-V255 HydrophobicContact CE1-CG1 4.23Å; F85-V255 HydrophobicContact CZ-CB 4.25Å; F85-V255 HydrophobicContact CZ-CG1 3.76Å; F85-V255 HydrophobicContact CZ-CG2 4.5Å
86G97.2Very high97.4Very high16 Ų1633.5 Ų33.517%0.16518%0.175CC..THydrogen-bonded Turntrans73.25.8-177.700000115.3K84 Y112 Y168K84-G86 PolarHBondContact O-N 3.23Å; G86-Y112 WeakPolarHBondContact CA-O 3.32Å; G86-Y168 WeakPolarHBondContact O-CD2 3.18Å
87K97.7Very high97Very high132 Ų13234.7 Ų34.757%0.57418%0.183SC*.SBendtrans-122.111.2-177.4-56176.7-167.2159.10113.6D83 K84 F85 Y168D83-K87 WeakPolarHBondContact O-CD 3.41Å; D83-K87 PolarHBondContact O-NZ 3.04Å; K84-K87 PolarHBondContact O-N 3.02Å; F85-K87 PolarHBondContact O-N 3.31Å; K87-Y168 WeakPolarHBondContact O-CE1 3.14Å; K87-Y168 VanDerWaalsContact O-CZ 3.26Å; K87-Y168 PolarHBondContact O-OH 2.8Å
88E97.5Very high96.8Very high12 Ų1235.6 Ų35.66%0.05619%0.186CC..SBendtrans-150154.7177.542.4176.8-172.200111.9K84 V90 T223 Y226 R257K84-E88 HydrophobicContact CB-CG 4.36Å; K84-E88 WeakPolarHBondContact CB-OE1 3.23Å; E88-V90 HydrophobicContact CB-CG1 4.2Å; E88-V90 HydrophobicContact CG-CG1 3.65Å; E88-T223 WeakPolarHBondContact CB-OG1 3.42Å; E88-T223 PolarHBondContact OE2-OG1 3.29Å; E88-Y226 WeakPolarHBondContact CG-OH 2.8Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.29Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.29Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.3Å; E88-Y226 PolarHBondContact OE1-OH 2.91Å; E88-R257 IonicContact OE1-CZ 3.6Å; E88-R257 IonicContact OE1-NE 3.6Å; E88-R257 PolarHBondContact OE1-NE 2.97Å; E88-R257 IonicContact OE1-NH2 3.64Å; E88-R257 PolarHBondContact OE1-NH2 3.46Å; E88-R257 IonicContact OE2-CZ 2.68Å; E88-R257 IonicContact OE2-NE 3.7Å; E88-R257 IonicContact OE2-NH2 2.7Å; E88-R257 PolarHBondContact OE2-NH2 3.34Å
89H98.1Very high96.5Very high29 Ų2933.8 Ų33.813%0.13418%0.176CC..  trans-80129166.4-63.7-93.2000108.9E167 Y168 M169 T221 V222 T223H89-E167 PolarHBondContact CE1-O 3.19Å; H89-Y168 AromaticContact CD2-CD1 3.71Å; H89-Y168 AromaticContact NE2-CD1 3.79Å; H89-M169 WeakPolarHBondContact CA-O 3.26Å; H89-M169 WeakPolarHBondContact ND1-CB 3.49Å; H89-M169 PolarHBondContact ND1-N 2.92Å; H89-M169 VanDerWaalsContact ND1-N 3.19Å; H89-T221 HydrophobicContact CB-CG2 4.41Å; H89-T221 WeakPolarHBondContact CB-O 3.47Å; H89-V222 HydrophobicContact CB-CG1 4.05Å; H89-V222 VanDerWaalsContact O-CA 3.31Å; H89-V222 WeakPolarHBondContact O-CA 3.28Å; H89-T223 PolarHBondContact O-N 3.44Å
90V98.4Very high96.4Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-139.6152-174.8-52.60000111.9E88 V92 M169 W170 F171 A224 Y226E88-V90 HydrophobicContact CB-CG1 4.2Å; E88-V90 HydrophobicContact CG-CG1 3.65Å; V90-V92 HydrophobicContact CG2-CG2 3.92Å; V90-M169 PolarHBondContact N-O 3.48Å; V90-W170 HydrophobicContact CG2-CB 4.23Å; V90-W170 HydrophobicContact CG2-CD2 4.23Å; V90-W170 HydrophobicContact CG2-CG 3.7Å; V90-F171 PolarHBondContact O-N 3.34Å; V90-A224 VanDerWaalsContact CA-O 3.24Å; V90-A224 WeakPolarHBondContact CA-O 3.22Å; V90-A224 WeakPolarHBondContact CB-O 3.29Å; V90-A224 HydrophobicContact CG1-CB 3.99Å; V90-Y226 HydrophobicContact CB-CD1 4.45Å; V90-Y226 HydrophobicContact CB-CD2 4.35Å; V90-Y226 HydrophobicContact CB-CE1 4.4Å; V90-Y226 HydrophobicContact CB-CE2 4.33Å; V90-Y226 HydrophobicContact CB-CG 4.41Å; V90-Y226 HydrophobicContact CG1-CD1 4.32Å; V90-Y226 HydrophobicContact CG1-CD2 4.47Å; V90-Y226 HydrophobicContact CG1-CE1 3.8Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG2-CD2 3.76Å; V90-Y226 HydrophobicContact CG2-CE2 3.83Å; V90-Y226 HydrophobicContact CG2-CG 4.22Å
91I98.6Very high96.3Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-93.1128.7163.5-63.3166.6000107.3F171 L173 F211 T214 M215 V222 A224 V225 Y226I91-F171 CarbonylContact C-O 3.57Å; I91-F171 WeakPolarHBondContact CA-O 3.5Å; I91-L173 HydrophobicContact CG2-CD1 3.56Å; I91-L173 HydrophobicContact CG2-CG 4.06Å; I91-F211 HydrophobicContact CG2-CD2 4.39Å; I91-F211 HydrophobicContact CG2-CE2 4.38Å; I91-T214 HydrophobicContact CD1-CG2 3.62Å; I91-T214 HydrophobicContact CG1-CG2 3.94Å; I91-M215 HydrophobicContact CD1-CG 4.15Å; I91-M215 HydrophobicContact CD1-SD 3.54Å; I91-M215 VanDerWaalsContact CD1-SD 3.54Å; I91-V222 HydrophobicContact CD1-CG2 4.11Å; I91-V222 HydrophobicContact CG1-CG1 4.21Å; I91-V222 HydrophobicContact CG1-CG2 4.39Å; I91-A224 PolarHBondContact N-O 3.44Å; I91-A224 VanDerWaalsContact N-O 3.11Å; I91-V225 HydrophobicContact CB-CG2 4.27Å; I91-V225 CarbonylContact O-C 3.59Å; I91-V225 VanDerWaalsContact O-CA 3.29Å; I91-V225 WeakPolarHBondContact O-CA 3.43Å; I91-Y226 PolarHBondContact O-N 3.05Å
92V98.6Very high96.1Very high17 Ų1727.6 Ų27.610%0.10313%0.134CC..EExtended strand (participates in β ladder)trans-104.7123.7176.9-176.60000108.5V90 W170 F171 L172 L173 Y226 V228V90-V92 HydrophobicContact CG2-CG2 3.92Å; V92-W170 HydrophobicContact CG2-CB 4.12Å; V92-W170 HydrophobicContact CG2-CG 4.44Å; V92-F171 PolarHBondContact N-O 3.06Å; V92-L172 HydrophobicContact CB-CD1 4.19Å; V92-L172 HydrophobicContact CG1-CD1 4Å; V92-L172 CarbonylContact O-C 3.58Å; V92-L173 PolarHBondContact O-N 3.07Å; V92-Y226 WeakPolarHBondContact CA-O 3.4Å; V92-V228 HydrophobicContact CG1-CB 4.5Å; V92-V228 HydrophobicContact CG1-CG2 3.71Å
93I98.5Very high96.1Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-103.9116.4172.8-59172.9000107.9L173 F211 V225 Y226 V228 W273 L274 L277 Y278I93-L173 WeakPolarHBondContact CA-O 3.43Å; I93-F211 HydrophobicContact CD1-CD2 3.95Å; I93-F211 HydrophobicContact CD1-CE2 3.72Å; I93-F211 HydrophobicContact CD1-CZ 4.27Å; I93-F211 HydrophobicContact CG1-CD2 4.45Å; I93-F211 HydrophobicContact CG1-CE2 4.47Å; I93-V225 HydrophobicContact CD1-CG1 3.69Å; I93-V225 HydrophobicContact CG1-CG1 4.03Å; I93-Y226 PolarHBondContact N-O 3.28Å; I93-V228 WeakPolarHBondContact O-CA 3.48Å; I93-V228 PolarHBondContact O-N 2.8Å; I93-V228 VanDerWaalsContact O-O 3.13Å; I93-W273 HydrophobicContact CD1-CH2 4.49Å; I93-W273 HydrophobicContact CD1-CZ3 4.14Å; I93-L274 HydrophobicContact CD1-CD1 3.81Å; I93-L277 HydrophobicContact CD1-CD2 3.71Å; I93-Y278 HydrophobicContact CG2-CE2 4.04Å
94L98.1Very high96.1Very high4 Ų423 Ų232%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-119.9139.6-179.5-173.958000110D101 L172 L173 Y174 V228 L230L94-D101 HydrophobicContact CD2-CB 4.22Å; L94-L172 HydrophobicContact CB-CD1 3.66Å; L94-L172 HydrophobicContact CD2-CD1 4.22Å; L94-L173 PolarHBondContact N-O 2.83Å; L94-L173 VanDerWaalsContact N-O 3.15Å; L94-Y174 HydrophobicContact CB-CD1 4.17Å; L94-Y174 HydrophobicContact CB-CE1 3.86Å; L94-Y174 HydrophobicContact CD2-CE1 3.77Å; L94-Y174 HydrophobicContact CG-CD1 4.5Å; L94-Y174 HydrophobicContact CG-CE1 3.81Å; L94-Y174 VanDerWaalsContact O-CD1 3.28Å; L94-Y174 WeakPolarHBondContact O-CD1 3.48Å; L94-V228 WeakPolarHBondContact CA-O 3.3Å; L94-V228 HydrophobicContact CD1-CB 3.77Å; L94-V228 HydrophobicContact CD1-CG1 3.54Å; L94-L230 HydrophobicContact CD1-CB 3.87Å
95N96.4Very high96.1Very high0 Ų018.9 Ų18.90%010%0.097CC..  trans-67.9149168.164.4-57.4000110.4E176 T229 L230N95-E176 VanDerWaalsContact CA-OE1 3.29Å; N95-E176 WeakPolarHBondContact CA-OE1 3.43Å; N95-T229 WeakPolarHBondContact OD1-CA 3.32Å; N95-L230 PolarHBondContact ND2-O 2.99Å; N95-L230 PolarHBondContact OD1-N 3.3Å
96H93.3Very high96.1Very high29 Ų2919.8 Ų19.813%0.13410%0.1CC..  trans-115.969.4-171.6-15515.3000112.6D101 Y174 E176 R179 F180H96-D101 VanDerWaalsContact CA-OD2 3.3Å; H96-D101 WeakPolarHBondContact CA-OD2 3.4Å; H96-D101 IonicContact CE1-OD2 2.91Å; H96-D101 IonicContact CG-OD2 2.86Å; H96-D101 IonicContact ND1-OD2 3.9Å; H96-D101 PolarHBondContact ND1-OD2 2.74Å; H96-Y174 HydrophobicContact CB-CD1 3.44Å; H96-Y174 VanDerWaalsContact CB-CD1 3.44Å; H96-Y174 HydrophobicContact CB-CE1 4.03Å; H96-Y174 HydrophobicContact CB-CG 4.02Å; H96-Y174 AromaticContact CD2-CG 3.86Å; H96-Y174 AromaticContact CE1-CZ 3.98Å; H96-Y174 AromaticContact CG-CD1 3.46Å; H96-Y174 VanDerWaalsContact CG-CD1 3.46Å; H96-Y174 AromaticContact CG-CE1 3.78Å; H96-Y174 AromaticContact CG-CG 3.78Å; H96-Y174 AromaticContact ND1-CD1 3.69Å; H96-Y174 AromaticContact ND1-CE1 3.49Å; H96-Y174 WeakPolarHBondContact ND1-CE1 3.38Å; H96-Y174 AromaticContact ND1-CZ 3.86Å; H96-E176 PolarHBondContact N-OE1 3.39Å; H96-R179 PolarHBondContact CD2-N 2.89Å; H96-R179 WeakPolarHBondContact CE1-CG 3.49Å; H96-R179 PolarHBondContact CE1-NE 3.28Å; H96-R179 VanDerWaalsContact NE2-CG 3.28Å; H96-R179 WeakPolarHBondContact NE2-CG 3.47Å; H96-R179 CarbonylContact O-C 3.54Å; H96-R179 WeakPolarHBondContact O-CA 3.35Å; H96-F180 PolarHBondContact O-N 2.99Å
97N90.8Very high96.1Very high33 Ų3319 Ų1918%0.1769%0.092CC..  trans-104.9-28.9-172-71.616.4000113.4D101 F180N97-D101 PolarHBondContact N-OD2 3.08Å; N97-F180 WeakPolarHBondContact OD1-CB 3.34Å
98F92.3Very high96.1Very high20 Ų2013.2 Ų13.29%0.0887%0.067CC..SBendtrans-119.8163-170.3-45-83.1000112.5I100 D101 R179 N231 F232 I237 P238F98-I100 VanDerWaalsContact C-N 3.28Å; F98-I100 PolarHBondContact O-N 2.79Å; F98-D101 VanDerWaalsContact CA-OD1 3.31Å; F98-D101 WeakPolarHBondContact CA-OD1 3.41Å; F98-D101 WeakPolarHBondContact CB-OD1 3.15Å; F98-D101 VanDerWaalsContact CD2-OD1 3.26Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.38Å; F98-D101 PolarHBondContact N-OD1 3.45Å; F98-D101 PolarHBondContact N-OD2 2.95Å; F98-R179 PolarHBondContact O-NE 3.37Å; F98-N231 WeakPolarHBondContact CZ-OD1 3.19Å; F98-F232 HydrophobicContact CB-CE2 4.06Å; F98-F232 HydrophobicContact CD1-CD2 4.04Å; F98-F232 HydrophobicContact CD1-CE2 4.38Å; F98-F232 AromaticContact CD2-CD2 3.66Å; F98-F232 HydrophobicContact CD2-CD2 3.66Å; F98-F232 AromaticContact CD2-CE2 3.58Å; F98-F232 HydrophobicContact CD2-CE2 3.58Å; F98-F232 HydrophobicContact CE1-CD2 4.1Å; F98-F232 AromaticContact CE2-CD2 3.75Å; F98-F232 HydrophobicContact CE2-CD2 3.75Å; F98-F232 HydrophobicContact CE2-CE2 4.11Å; F98-F232 AromaticContact CG-CD2 3.82Å; F98-F232 HydrophobicContact CG-CD2 3.82Å; F98-F232 AromaticContact CG-CE2 3.74Å; F98-F232 HydrophobicContact CG-CE2 3.74Å; F98-F232 AromaticContact CZ-CD2 3.96Å; F98-F232 HydrophobicContact CZ-CD2 3.96Å; F98-I237 HydrophobicContact CD1-CG2 4.4Å; F98-P238 HydrophobicContact CB-CG 4.15Å; F98-P238 HydrophobicContact CD1-CG 4.4Å; F98-P238 HydrophobicContact CG-CG 4.41Å
99E90.7Very high96.1Very high28 Ų2813 Ų1313%0.1317%0.067CC..THydrogen-bonded Turntrans-67-35.9178.7-70.8-168.5167.400111.8F102 R179 T239 L240 E360 V361E99-F102 WeakPolarHBondContact O-CD1 3.45Å; E99-F102 VanDerWaalsContact O-CE1 3.25Å; E99-F102 WeakPolarHBondContact O-CE1 3.5Å; E99-R179 PolarHBondContact O-NH2 3.24Å; E99-T239 WeakPolarHBondContact OE2-CB 3.4Å; E99-L240 PolarHBondContact OE2-N 2.8Å; E99-E360 WeakPolarHBondContact OE1-CA 3.45Å; E99-V361 HydrophobicContact CG-CG2 3.32Å; E99-V361 WeakPolarHBondContact OE1-CG2 3.43Å; E99-V361 PolarHBondContact OE1-N 3.22Å
100I93.9Very high96.1Very high0 Ų011.6 Ų11.60%06%0.061CC..THydrogen-bonded Turntrans-9914.6-172.368.3161.1000113.9L65 F98 F102 L103 C104 F232 P238 L240 I243L65-I100 HydrophobicContact CD1-CD1 4.23Å; F98-I100 VanDerWaalsContact C-N 3.28Å; F98-I100 PolarHBondContact O-N 2.79Å; I100-F102 VanDerWaalsContact C-N 3.25Å; I100-F102 PolarHBondContact O-N 2.73Å; I100-L103 HydrophobicContact CB-CB 4.29Å; I100-L103 WeakPolarHBondContact O-CB 3.46Å; I100-L103 PolarHBondContact O-N 3.17Å; I100-C104 PolarHBondContact O-N 2.86Å; I100-C104 VanDerWaalsContact O-N 3.11Å; I100-F232 HydrophobicContact CD1-CE1 3.91Å; I100-F232 HydrophobicContact CD1-CZ 3.68Å; I100-F232 HydrophobicContact CG1-CE2 4.45Å; I100-F232 HydrophobicContact CG1-CZ 3.8Å; I100-P238 HydrophobicContact CD1-CB 3.45Å; I100-P238 VanDerWaalsContact CD1-CB 3.45Å; I100-P238 HydrophobicContact CD1-CG 3.68Å; I100-P238 HydrophobicContact CG1-CB 3.72Å; I100-P238 HydrophobicContact CG1-CG 3.57Å; I100-L240 HydrophobicContact CG2-CB 4.41Å; I100-I243 HydrophobicContact CD1-CD1 4.16Å; I100-I243 HydrophobicContact CD1-CG1 4.26Å; I100-I243 HydrophobicContact CG2-CG1 4.2Å
101D94.8Very high96.1Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-48.5-50.1178.9-62.8-22.4000111.8L94 H96 N97 F98 L103 C104 G105 Y174 L230L94-D101 HydrophobicContact CD2-CB 4.22Å; H96-D101 VanDerWaalsContact CA-OD2 3.3Å; H96-D101 WeakPolarHBondContact CA-OD2 3.4Å; H96-D101 IonicContact CE1-OD2 2.91Å; H96-D101 IonicContact CG-OD2 2.86Å; H96-D101 IonicContact ND1-OD2 3.9Å; H96-D101 PolarHBondContact ND1-OD2 2.74Å; N97-D101 PolarHBondContact N-OD2 3.08Å; F98-D101 VanDerWaalsContact CA-OD1 3.31Å; F98-D101 WeakPolarHBondContact CA-OD1 3.41Å; F98-D101 WeakPolarHBondContact CB-OD1 3.15Å; F98-D101 VanDerWaalsContact CD2-OD1 3.26Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.38Å; F98-D101 PolarHBondContact N-OD1 3.45Å; F98-D101 PolarHBondContact N-OD2 2.95Å; D101-L103 PolarHBondContact O-N 2.75Å; D101-C104 PolarHBondContact O-N 3.24Å; D101-G105 PolarHBondContact O-N 3.29Å; D101-Y174 HydrophobicContact CB-CE1 4.19Å; D101-L230 HydrophobicContact CB-CD2 4.02Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.48Å
102F93.7Very high96Very high46 Ų4614.9 Ų14.920%0.2027%0.073CC..Hα-helixtrans-62.1-33.4-179.374.1-88000112.2E99 I100 G105 W106 Y174E99-F102 WeakPolarHBondContact O-CD1 3.45Å; E99-F102 VanDerWaalsContact O-CE1 3.25Å; E99-F102 WeakPolarHBondContact O-CE1 3.5Å; I100-F102 VanDerWaalsContact C-N 3.25Å; I100-F102 PolarHBondContact O-N 2.73Å; F102-G105 PolarHBondContact O-N 3.45Å; F102-W106 HydrophobicContact CD2-CD2 4.21Å; F102-W106 AromaticContact CD2-CE3 3.81Å; F102-W106 HydrophobicContact CD2-CE3 3.81Å; F102-W106 HydrophobicContact CD2-CH2 4.22Å; F102-W106 AromaticContact CD2-CZ3 3.79Å; F102-W106 HydrophobicContact CD2-CZ3 3.79Å; F102-W106 HydrophobicContact CE2-CE3 4.01Å; F102-W106 HydrophobicContact CE2-CH2 4.37Å; F102-W106 AromaticContact CE2-CZ3 3.73Å; F102-W106 HydrophobicContact CE2-CZ3 3.73Å; F102-W106 WeakPolarHBondContact O-CB 3.39Å; F102-W106 PolarHBondContact O-N 2.92Å; F102-Y174 PolarHBondContact N-OH 3.41Å
103L96.3Very high95.9Very high1 Ų116.5 Ų16.51%0.0059%0.093CC..Hα-helixtrans-74.9-37.4-177.1-163.257.1000110.7L61 L65 I100 D101 W106 T107 L240L61-L103 HydrophobicContact CB-CD1 3.79Å; L65-L103 HydrophobicContact CB-CD2 3.83Å; L65-L103 HydrophobicContact CB-CG 3.89Å; L65-L103 HydrophobicContact CD1-CD2 4.11Å; L65-L103 HydrophobicContact CD1-CG 4.44Å; L65-L103 HydrophobicContact CD2-CB 4.17Å; L65-L103 HydrophobicContact CD2-CD2 4.27Å; L65-L103 HydrophobicContact CD2-CG 3.7Å; L65-L103 WeakPolarHBondContact CD2-O 3.35Å; L65-L103 HydrophobicContact CG-CD2 4.28Å; L65-L103 HydrophobicContact CG-CG 4.21Å; I100-L103 HydrophobicContact CB-CB 4.29Å; I100-L103 WeakPolarHBondContact O-CB 3.46Å; I100-L103 PolarHBondContact O-N 3.17Å; D101-L103 PolarHBondContact O-N 2.75Å; L103-W106 HydrophobicContact CD1-CE3 4.1Å; L103-W106 PolarHBondContact O-N 3.21Å; L103-T107 PolarHBondContact O-N 3.09Å; L103-T107 PolarHBondContact O-OG1 2.79Å; L103-L240 HydrophobicContact CD2-CD1 4.37Å
104C97.5Very high95.9Very high0 Ų016.7 Ų16.70%010%0.095CC..Hα-helixtrans-64.1-40.3169.3-68.90000111.9I100 D101 T107 M108 L230I100-C104 PolarHBondContact O-N 2.86Å; I100-C104 VanDerWaalsContact O-N 3.11Å; D101-C104 PolarHBondContact O-N 3.24Å; C104-T107 WeakPolarHBondContact O-CB 3.5Å; C104-T107 PolarHBondContact O-N 2.99Å; C104-M108 PolarHBondContact O-N 3.17Å; C104-L230 HydrophobicContact CB-CD1 4.16Å; C104-L230 HydrophobicContact CB-CD2 4.05Å
105G97.3Very high95.9Very high20 Ų2016.5 Ų16.521%0.2069%0.094CC..Hα-helixtrans-61.9-43.4172.300000112.8D101 F102 T107 M108 C109D101-G105 PolarHBondContact O-N 3.29Å; F102-G105 PolarHBondContact O-N 3.45Å; G105-T107 VanDerWaalsContact C-N 3.34Å; G105-T107 PolarHBondContact O-N 2.88Å; G105-M108 WeakPolarHBondContact O-CB 3.07Å; G105-M108 PolarHBondContact O-N 3.11Å; G105-M108 VanDerWaalsContact O-N 3.07Å; G105-C109 PolarHBondContact O-N 3.01Å; G105-C109 PolarHBondContact O-SG 3.09Å
106W97.9Very high96Very high28 Ų2816.8 Ų16.811%0.10610%0.097CC..Hα-helixtrans-66.1-31.8176.2-80.3-9.9000113.7W58 L61 V62 F102 L103 M108 C109 E110 L115 S118W58-W106 AromaticContact CD2-CH2 3.83Å; W58-W106 HydrophobicContact CD2-CH2 3.83Å; W58-W106 HydrophobicContact CD2-CZ2 4.2Å; W58-W106 HydrophobicContact CD2-CZ3 4.31Å; W58-W106 AromaticContact CE3-CH2 3.65Å; W58-W106 HydrophobicContact CE3-CH2 3.65Å; W58-W106 HydrophobicContact CE3-CZ2 4.45Å; W58-W106 AromaticContact CE3-CZ3 3.99Å; W58-W106 HydrophobicContact CE3-CZ3 3.99Å; W58-W106 HydrophobicContact CG-CH2 4.32Å; W58-W106 HydrophobicContact CG-CZ2 4.43Å; W58-W106 HydrophobicContact CZ3-CH2 4.06Å; L61-W106 HydrophobicContact CD1-CZ3 3.71Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; F102-W106 HydrophobicContact CD2-CD2 4.21Å; F102-W106 AromaticContact CD2-CE3 3.81Å; F102-W106 HydrophobicContact CD2-CE3 3.81Å; F102-W106 HydrophobicContact CD2-CH2 4.22Å; F102-W106 AromaticContact CD2-CZ3 3.79Å; F102-W106 HydrophobicContact CD2-CZ3 3.79Å; F102-W106 HydrophobicContact CE2-CE3 4.01Å; F102-W106 HydrophobicContact CE2-CH2 4.37Å; F102-W106 AromaticContact CE2-CZ3 3.73Å; F102-W106 HydrophobicContact CE2-CZ3 3.73Å; F102-W106 WeakPolarHBondContact O-CB 3.39Å; F102-W106 PolarHBondContact O-N 2.92Å; L103-W106 HydrophobicContact CD1-CE3 4.1Å; L103-W106 PolarHBondContact O-N 3.21Å; W106-M108 VanDerWaalsContact C-N 3.26Å; W106-M108 PolarHBondContact O-N 3.01Å; W106-C109 CarbonylContact O-C 3.58Å; W106-C109 WeakPolarHBondContact O-CB 3.47Å; W106-C109 PolarHBondContact O-N 3.42Å; W106-C109 VanDerWaalsContact O-N 3.15Å; W106-E110 PolarHBondContact O-N 3.21Å; W106-L115 HydrophobicContact CB-CD1 3.65Å; W106-L115 HydrophobicContact CD2-CD1 4.16Å; W106-L115 HydrophobicContact CG-CD1 3.63Å; W106-S118 PolarHBondContact NE1-OG 2.85Å
107T97.6Very high96.2Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-57-41.2168.3-71.60000111.7L65 E66 C73 L103 C104 G105 E110 R111L65-T107 VanDerWaalsContact CD2-OG1 3.3Å; L65-T107 WeakPolarHBondContact CD2-OG1 3.38Å; E66-T107 HydrophobicContact CG-CG2 4.11Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.35Å; C73-T107 HydrophobicContact CB-CG2 4.35Å; L103-T107 PolarHBondContact O-N 3.09Å; L103-T107 PolarHBondContact O-OG1 2.79Å; C104-T107 WeakPolarHBondContact O-CB 3.5Å; C104-T107 PolarHBondContact O-N 2.99Å; G105-T107 VanDerWaalsContact C-N 3.34Å; G105-T107 PolarHBondContact O-N 2.88Å; T107-E110 PolarHBondContact O-N 2.73Å; T107-R111 VanDerWaalsContact CG2-NH2 3.35Å; T107-R111 VanDerWaalsContact O-CG 3.3Å; T107-R111 WeakPolarHBondContact O-CG 2.92Å; T107-R111 PolarHBondContact O-N 3.1Å; T107-R111 VanDerWaalsContact O-N 3.1Å
108M97.4Very high96.5Very high10 Ų1014.5 Ų14.55%0.0499%0.087CC..Hα-helixtrans-68.1-41.6174.2-62.2-54.3136.900111.7C73 L75 C104 G105 W106 E110 R111 Y112 W170 L253 P301C73-M108 HydrophobicContact CB-CE 3.27Å; L75-M108 HydrophobicContact CD1-SD 3.9Å; L75-M108 HydrophobicContact CD2-CE 4.16Å; L75-M108 HydrophobicContact CD2-CG 4.1Å; L75-M108 HydrophobicContact CD2-SD 3.57Å; L75-M108 VanDerWaalsContact CD2-SD 3.57Å; L75-M108 HydrophobicContact CG-CE 4.36Å; L75-M108 HydrophobicContact CG-SD 3.82Å; C104-M108 PolarHBondContact O-N 3.17Å; G105-M108 WeakPolarHBondContact O-CB 3.07Å; G105-M108 PolarHBondContact O-N 3.11Å; G105-M108 VanDerWaalsContact O-N 3.07Å; W106-M108 VanDerWaalsContact C-N 3.26Å; W106-M108 PolarHBondContact O-N 3.01Å; M108-E110 VanDerWaalsContact C-N 3.25Å; M108-E110 PolarHBondContact O-N 3.21Å; M108-R111 PolarHBondContact O-N 2.92Å; M108-Y112 VanDerWaalsContact O-CD2 3.23Å; M108-Y112 WeakPolarHBondContact O-CD2 3.49Å; M108-Y112 PolarHBondContact O-N 3.36Å; M108-Y112 VanDerWaalsContact O-N 3.09Å; M108-Y112 HydrophobicContact SD-CE2 4.47Å; M108-W170 HydrophobicContact CB-CZ3 4.13Å; M108-L253 HydrophobicContact CE-CD1 4.26Å; M108-L253 HydrophobicContact CG-CD2 4.26Å; M108-P301 HydrophobicContact SD-CG 4.16Å
109C98.3Very high96.7Very high8 Ų813.8 Ų13.85%0.0548%0.084CC..Hα-helixtrans-59.4-37.7175.7-58.20000112.1G105 W106 G113 V114 L115G105-C109 PolarHBondContact O-N 3.01Å; G105-C109 PolarHBondContact O-SG 3.09Å; W106-C109 CarbonylContact O-C 3.58Å; W106-C109 WeakPolarHBondContact O-CB 3.47Å; W106-C109 PolarHBondContact O-N 3.42Å; W106-C109 VanDerWaalsContact O-N 3.15Å; C109-G113 PolarHBondContact O-N 2.89Å; C109-V114 HydrophobicContact CB-CG2 3.89Å; C109-V114 PolarHBondContact O-N 3.18Å; C109-L115 HydrophobicContact CB-CB 4.12Å; C109-L115 HydrophobicContact CB-CD1 4.18Å; C109-L115 PolarHBondContact O-N 2.85Å
110E98.3Very high97Very high0 Ų013.6 Ų13.60%08%0.084CC..Hα-helixtrans-62.8-51.2174.4172.656.5-146.300111Y55 V62 W106 T107 M108 Y112 G113 L115 R304 T307Y55-E110 WeakPolarHBondContact CE2-OE2 3.38Å; Y55-E110 PolarHBondContact OH-OE1 2.81Å; Y55-E110 PolarHBondContact OH-OE2 3.38Å; Y55-E110 VanDerWaalsContact OH-OE2 3.08Å; V62-E110 HydrophobicContact CG1-CB 4.02Å; V62-E110 HydrophobicContact CG1-CG 4.17Å; W106-E110 PolarHBondContact O-N 3.21Å; T107-E110 PolarHBondContact O-N 2.73Å; M108-E110 VanDerWaalsContact C-N 3.25Å; M108-E110 PolarHBondContact O-N 3.21Å; E110-Y112 PolarHBondContact O-N 3.03Å; E110-G113 PolarHBondContact O-N 3.32Å; E110-L115 HydrophobicContact CB-CD2 4.32Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.43Å; E110-R304 VanDerWaalsContact O-CD 3.29Å; E110-R304 WeakPolarHBondContact O-CD 3.41Å; E110-R304 PolarHBondContact O-NH1 3.23Å; E110-R304 IonicContact OE1-CZ 3.4Å; E110-R304 IonicContact OE1-NH1 3.79Å; E110-T307 HydrophobicContact CG-CG2 3.55Å
111R97.1Very high96.9Very high24 Ų2415.6 Ų15.69%0.09110%0.095CC..Hα-helixtrans-61.4-30.5-176.1-68.8179.5-168.5-177.811112.6E66 C73 T107 M108 P301E66-R111 IonicContact OE1-CZ 3.37Å; E66-R111 IonicContact OE1-NE 3.05Å; E66-R111 PolarHBondContact OE1-NE 3.41Å; E66-R111 IonicContact OE1-NH2 2.8Å; E66-R111 PolarHBondContact OE1-NH2 2.87Å; C73-R111 PolarHBondContact O-NH1 3.11Å; T107-R111 VanDerWaalsContact CG2-NH2 3.35Å; T107-R111 VanDerWaalsContact O-CG 3.3Å; T107-R111 WeakPolarHBondContact O-CG 2.92Å; T107-R111 PolarHBondContact O-N 3.1Å; T107-R111 VanDerWaalsContact O-N 3.1Å; M108-R111 PolarHBondContact O-N 2.92Å; R111-P301 HydrophobicContact CB-CB 4.43Å; R111-P301 VanDerWaalsContact CZ-O 3.24Å; R111-P301 PolarHBondContact NE-O 3.42Å; R111-P301 PolarHBondContact NH1-O 2.96Å
112Y97.3Very high96.7Very high44 Ų4415.9 Ų15.917%0.17310%0.097CC..THydrogen-bonded Turntrans-109.315.6-179.4-59.3-74.9000114.3L75 V82 F85 G86 M108 E110 V114 W170 P301L75-Y112 HydrophobicContact CD1-CE2 4.22Å; V82-Y112 HydrophobicContact CG1-CE1 3.91Å; V82-Y112 WeakPolarHBondContact CG1-OH 3.44Å; F85-Y112 HydrophobicContact CB-CD1 3.55Å; F85-Y112 HydrophobicContact CB-CD2 4.03Å; F85-Y112 HydrophobicContact CB-CE1 3.96Å; F85-Y112 HydrophobicContact CB-CE2 4.42Å; F85-Y112 HydrophobicContact CB-CG 3.58Å; F85-Y112 HydrophobicContact CD2-CD1 4.29Å; F85-Y112 AromaticContact CD2-CD2 3.75Å; F85-Y112 HydrophobicContact CD2-CD2 3.75Å; F85-Y112 HydrophobicContact CD2-CE1 4.02Å; F85-Y112 AromaticContact CD2-CE2 3.47Å; F85-Y112 HydrophobicContact CD2-CE2 3.47Å; F85-Y112 VanDerWaalsContact CD2-CE2 3.47Å; F85-Y112 HydrophobicContact CD2-CG 4.17Å; F85-Y112 AromaticContact CD2-CZ 3.6Å; F85-Y112 HydrophobicContact CE2-CE2 4.18Å; F85-Y112 HydrophobicContact CG-CD1 4.47Å; F85-Y112 HydrophobicContact CG-CD2 4.34Å; F85-Y112 HydrophobicContact CG-CE2 4.42Å; F85-Y112 HydrophobicContact CG-CG 4.38Å; G86-Y112 WeakPolarHBondContact CA-O 3.32Å; M108-Y112 VanDerWaalsContact O-CD2 3.23Å; M108-Y112 WeakPolarHBondContact O-CD2 3.49Å; M108-Y112 PolarHBondContact O-N 3.36Å; M108-Y112 VanDerWaalsContact O-N 3.09Å; M108-Y112 HydrophobicContact SD-CE2 4.47Å; E110-Y112 PolarHBondContact O-N 3.03Å; Y112-V114 PolarHBondContact O-N 3.31Å; Y112-W170 HydrophobicContact CD2-CH2 4.18Å; Y112-P301 HydrophobicContact CE2-CB 4.38Å; Y112-P301 HydrophobicContact CE2-CG 4.25Å; Y112-P301 WeakPolarHBondContact OH-CB 3.42Å
113G97Very high96.4Very high51 Ų5117 Ų1753%0.52610%0.102SC..THydrogen-bonded Turntrans77.116.7165.600000116.7C109 E110C109-G113 PolarHBondContact O-N 2.89Å; E110-G113 PolarHBondContact O-N 3.32Å
114V98.1Very high96.1Very high4 Ų420 Ų202%0.02412%0.116CC..  trans-116.210.7-176.8-63.20000113.7C109 Y112 G116 S117 S118 W170C109-V114 HydrophobicContact CB-CG2 3.89Å; C109-V114 PolarHBondContact O-N 3.18Å; Y112-V114 PolarHBondContact O-N 3.31Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.15Å; V114-S117 CarbonylContact O-C 3.52Å; V114-S117 PolarHBondContact O-N 2.9Å; V114-S117 VanDerWaalsContact O-N 3.13Å; V114-S117 PolarHBondContact O-OG 3.3Å; V114-S117 VanDerWaalsContact O-OG 3.14Å; V114-S118 PolarHBondContact O-N 3.13Å; V114-W170 HydrophobicContact CB-CG 4.49Å; V114-W170 HydrophobicContact CG2-CB 4.45Å; V114-W170 HydrophobicContact CG2-CD2 3.56Å; V114-W170 HydrophobicContact CG2-CE3 3.91Å; V114-W170 HydrophobicContact CG2-CG 3.78Å; V114-W170 HydrophobicContact CG2-CZ2 4.29Å; V114-W170 HydrophobicContact CG2-CZ3 4.41Å
115L98.6Very high95.6Very high0 Ų024.2 Ų24.20%014%0.135CC..G310 helixtrans-55.2-45.8-178.9179.963.3000112.9Y55 W58 V62 W106 C109 E110 S117 S118Y55-L115 HydrophobicContact CD2-CB 4.01Å; Y55-L115 HydrophobicContact CD2-CD2 4.09Å; Y55-L115 HydrophobicContact CD2-CG 4.38Å; Y55-L115 HydrophobicContact CE2-CB 4.32Å; Y55-L115 HydrophobicContact CE2-CD2 4.15Å; W58-L115 HydrophobicContact CB-CD1 3.9Å; W58-L115 HydrophobicContact CB-CD2 3.94Å; W58-L115 HydrophobicContact CB-CG 3.86Å; V62-L115 HydrophobicContact CG2-CD1 4.16Å; V62-L115 HydrophobicContact CG2-CD2 3.95Å; W106-L115 HydrophobicContact CB-CD1 3.65Å; W106-L115 HydrophobicContact CD2-CD1 4.16Å; W106-L115 HydrophobicContact CG-CD1 3.63Å; C109-L115 HydrophobicContact CB-CB 4.12Å; C109-L115 HydrophobicContact CB-CD1 4.18Å; C109-L115 PolarHBondContact O-N 2.85Å; E110-L115 HydrophobicContact CB-CD2 4.32Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.43Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.02Å; L115-S118 PolarHBondContact O-N 3.02Å; L115-S118 PolarHBondContact O-OG 3.39Å
116G97.8Very high95.1Very high6 Ų625.5 Ų25.56%0.06214%0.137CC..G310 helixtrans-71.6-18.9-179.900000114.8C51 V114C51-G116 WeakPolarHBondContact CA-O 3.23Å; C51-G116 VanDerWaalsContact O-CA 3.29Å; C51-G116 WeakPolarHBondContact O-CA 3.47Å; C51-G116 PolarHBondContact SG-O 3.12Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.15Å
117S97.5Very high94.7Very high5 Ų526.6 Ų26.64%0.03515%0.145CC..G310 helixtrans-107.13.5177.954.20000113V114 L115 Y168V114-S117 CarbonylContact O-C 3.52Å; V114-S117 PolarHBondContact O-N 2.9Å; V114-S117 VanDerWaalsContact O-N 3.13Å; V114-S117 PolarHBondContact O-OG 3.3Å; V114-S117 VanDerWaalsContact O-OG 3.14Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.02Å; S117-Y168 VanDerWaalsContact CB-O 3.31Å; S117-Y168 WeakPolarHBondContact CB-O 3.34Å; S117-Y168 PolarHBondContact OG-O 2.86Å
118S97.6Very high94.2Very high10 Ų1033.2 Ų33.27%0.0717%0.174CC..  trans-63137173.368.10000110.7W106 V114 L115W106-S118 PolarHBondContact NE1-OG 2.85Å; V114-S118 PolarHBondContact O-N 3.13Å; L115-S118 PolarHBondContact O-N 3.02Å; L115-S118 PolarHBondContact O-OG 3.39Å
119K97.1Very high93.7Very high5 Ų533.6 Ų33.62%0.02218%0.176CC..EExtended strand (participates in β ladder)trans-128.1165.1-179.3-54.5-61.6176.5-179.70110.4L139 I141 Y165 M169 W170 F171 L172K119-L139 PolarHBondContact NZ-O 3Å; K119-I141 HydrophobicContact CB-CG1 4.45Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; K119-Y165 PolarHBondContact NZ-OH 2.77Å; K119-M169 HydrophobicContact CB-CG 4.3Å; K119-M169 HydrophobicContact CB-SD 4.2Å; K119-M169 HydrophobicContact CD-SD 4.45Å; K119-M169 HydrophobicContact CG-CG 3.57Å; K119-M169 HydrophobicContact CG-SD 3.39Å; K119-M169 WeakPolarHBondContact CG-SD 3.47Å; K119-W170 PolarHBondContact N-O 3.06Å; K119-F171 HydrophobicContact CB-CD2 3.54Å; K119-F171 HydrophobicContact CB-CE2 3.99Å; K119-F171 HydrophobicContact CB-CG 4.28Å; K119-F171 HydrophobicContact CG-CD2 4.25Å; K119-L172 WeakPolarHBondContact O-CB 3.25Å; K119-L172 PolarHBondContact O-N 3.4Å
120V95.4Very high93.2Very high23 Ų2336 Ų3614%0.13919%0.192CC..EExtended strand (participates in β ladder)trans-151.6152.7176.563.70000109.2A122 W136 I141 L172V120-A122 HydrophobicContact CG1-CB 4.26Å; V120-A122 PolarHBondContact O-N 2.89Å; V120-W136 HydrophobicContact CG1-CH2 4.43Å; V120-W136 HydrophobicContact CG1-CZ2 4.46Å; V120-I141 HydrophobicContact CG1-CD1 4.44Å; V120-I141 HydrophobicContact CG1-CG2 4.41Å; V120-I141 WeakPolarHBondContact O-CG2 3.32Å; V120-L172 WeakPolarHBondContact CA-O 2.95Å; V120-L172 HydrophobicContact CB-CB 4.27Å; V120-L172 HydrophobicContact CG2-CB 4.22Å; V120-L172 HydrophobicContact CG2-CD2 4.31Å; V120-L172 HydrophobicContact CG2-CG 4.33Å
121L92Very high92.8Very high43 Ų4336.2 Ų36.223%0.22519%0.193CC..EExtended strand (participates in β ladder)trans-74.8104.6159-84.1172.1000109.2V142 F171 L172 L173L121-V142 HydrophobicContact CD2-CB 3.73Å; L121-V142 HydrophobicContact CD2-CG1 3.57Å; L121-F171 HydrophobicContact CD1-CE1 4.39Å; L121-F171 HydrophobicContact CD2-CZ 4.3Å; L121-F171 HydrophobicContact CG-CE1 3.87Å; L121-F171 HydrophobicContact CG-CZ 3.86Å; L121-L172 PolarHBondContact N-O 3.21Å; L121-L173 HydrophobicContact CB-CD2 4.2Å; L121-L173 HydrophobicContact CD1-CD2 3.44Å; L121-L173 VanDerWaalsContact CD1-CD2 3.44Å; L121-L173 HydrophobicContact CG-CD2 3.95Å
122A90.4Very high92.6Very high6 Ų637.1 Ų37.15%0.0520%0.2CC..EExtended strand (participates in β ladder)trans-92152.4-174.500000112.4V120 W136 I141 V142 F143 C144V120-A122 HydrophobicContact CG1-CB 4.26Å; V120-A122 PolarHBondContact O-N 2.89Å; A122-W136 HydrophobicContact CB-CE3 3.82Å; A122-W136 HydrophobicContact CB-CZ3 3.72Å; A122-I141 HydrophobicContact CB-CG2 3.72Å; A122-V142 PolarHBondContact N-O 3.48Å; A122-F143 HydrophobicContact CB-CD1 3.71Å; A122-F143 HydrophobicContact CB-CE1 3.87Å; A122-F143 HydrophobicContact CB-CG 4.41Å; A122-F143 CarbonylContact O-C 3.56Å; A122-F143 WeakPolarHBondContact O-CA 3.39Å; A122-C144 PolarHBondContact O-N 3.49Å
123K88.3Confident92.4Very high70 Ų7035 Ų3530%0.30419%0.191SC..EExtended strand (participates in β ladder)trans-71.9134.9169.2-177.3-173.1176.1-167.70109.6E125 L126 C144K123-E125 VanDerWaalsContact C-N 3.26Å; K123-E125 HydrophobicContact CD-CB 4.28Å; K123-E125 HydrophobicContact CD-CG 4.44Å; K123-E125 HydrophobicContact CG-CB 4.38Å; K123-E125 PolarHBondContact O-N 2.69Å; K123-E125 VanDerWaalsContact O-N 3.15Å; K123-L126 HydrophobicContact CB-CD1 4.1Å; K123-L126 HydrophobicContact CB-CG 4.23Å; K123-L126 VanDerWaalsContact O-CB 3.25Å; K123-L126 WeakPolarHBondContact O-CB 3.45Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-C144 CarbonylContact C-O 3.54Å; K123-C144 WeakPolarHBondContact CA-O 3.4Å
124H88.9Confident92.4Very high64 Ų6437.9 Ų37.930%0.29619%0.186SC..G310 helixtrans-54-37.2-178.6-174.679.5000114.2L126 L127 C144 K145H124-L126 PolarHBondContact O-N 3.39Å; H124-L126 VanDerWaalsContact O-N 3.1Å; H124-L127 WeakPolarHBondContact O-CB 3.36Å; H124-L127 PolarHBondContact O-N 3.26Å; H124-C144 PolarHBondContact N-O 3.21Å; H124-K145 HydrophobicContact CB-CG 4.04Å
125E87.3Confident92.3Very high87 Ų8737.7 Ų37.741%0.40719%0.185SC..G310 helixtrans-59.1-23.8175.7-60.8-56.4144.900113.7K123 L127 K128K123-E125 VanDerWaalsContact C-N 3.26Å; K123-E125 HydrophobicContact CD-CB 4.28Å; K123-E125 HydrophobicContact CD-CG 4.44Å; K123-E125 HydrophobicContact CG-CB 4.38Å; K123-E125 PolarHBondContact O-N 2.69Å; K123-E125 VanDerWaalsContact O-N 3.15Å; E125-L127 PolarHBondContact O-N 2.8Å; E125-K128 WeakPolarHBondContact O-CB 3.29Å; E125-K128 PolarHBondContact O-N 2.78Å; E125-K128 IonicContact OE1-NZ 3.83Å; E125-K128 WeakPolarHBondContact OE2-CE 3.33Å; E125-K128 IonicContact OE2-NZ 2.76Å; E125-K128 PolarHBondContact OE2-NZ 3.4Å
126L87.1Confident92.3Very high48 Ų4839.2 Ų39.225%0.25119%0.191SC..G310 helixtrans-69.6-20.2178-63.5172.3000112.3K123 H124 K128 V129 G133 W136 F143 V358K123-L126 HydrophobicContact CB-CD1 4.1Å; K123-L126 HydrophobicContact CB-CG 4.23Å; K123-L126 VanDerWaalsContact O-CB 3.25Å; K123-L126 WeakPolarHBondContact O-CB 3.45Å; K123-L126 PolarHBondContact O-N 2.84Å; H124-L126 PolarHBondContact O-N 3.39Å; H124-L126 VanDerWaalsContact O-N 3.1Å; L126-K128 PolarHBondContact O-N 2.92Å; L126-V129 HydrophobicContact CD2-CG2 4.1Å; L126-V129 WeakPolarHBondContact O-CB 3.31Å; L126-V129 PolarHBondContact O-N 2.98Å; L126-G133 WeakPolarHBondContact O-CA 3.34Å; L126-W136 HydrophobicContact CB-CE3 4.33Å; L126-W136 HydrophobicContact CB-CZ3 3.86Å; L126-W136 HydrophobicContact CD1-CH2 4.06Å; L126-W136 HydrophobicContact CD1-CZ3 3.56Å; L126-W136 HydrophobicContact CG-CZ3 4.28Å; L126-F143 HydrophobicContact CB-CE1 4.43Å; L126-V358 HydrophobicContact CD2-CG1 4.3Å
127L89.8Confident92.2Very high51 Ų5145.8 Ų45.827%0.26722%0.215SC..G310 helixtrans-59.1-29.8172.2-174.264.8000111.9H124 E125 V129 Y137 F143H124-L127 WeakPolarHBondContact O-CB 3.36Å; H124-L127 PolarHBondContact O-N 3.26Å; E125-L127 PolarHBondContact O-N 2.8Å; L127-V129 VanDerWaalsContact C-N 3.31Å; L127-Y137 HydrophobicContact CD1-CD2 4.07Å; L127-Y137 HydrophobicContact CD1-CG 4.36Å; L127-F143 HydrophobicContact CB-CD1 4.14Å; L127-F143 HydrophobicContact CB-CE1 3.96Å; L127-F143 HydrophobicContact CB-CZ 4.3Å; L127-F143 HydrophobicContact CD1-CD2 4.44Å; L127-F143 HydrophobicContact CD1-CE1 4.35Å; L127-F143 HydrophobicContact CD1-CE2 3.9Å; L127-F143 HydrophobicContact CD1-CZ 3.82Å
128K87.8Confident92.2Very high138 Ų13846.3 Ų46.360%0.622%0.216SC*.G310 helixtrans-81-9.4179.7-58.2174.8-175.1163.60113.2E125 L126 P130E125-K128 WeakPolarHBondContact O-CB 3.29Å; E125-K128 PolarHBondContact O-N 2.78Å; E125-K128 IonicContact OE1-NZ 3.83Å; E125-K128 WeakPolarHBondContact OE2-CE 3.33Å; E125-K128 IonicContact OE2-NZ 2.76Å; E125-K128 PolarHBondContact OE2-NZ 3.4Å; L126-K128 PolarHBondContact O-N 2.92Å; K128-P130 VanDerWaalsContact O-CD 3.26Å; K128-P130 WeakPolarHBondContact O-CD 3.46Å
129V86.6Confident92.2Very high18 Ų1845.8 Ų45.811%0.10921%0.213CC..SBendtrans-79113.5178.5-179.60000107.5L126 L127 I132 G133 L355 V358L126-V129 HydrophobicContact CD2-CG2 4.1Å; L126-V129 WeakPolarHBondContact O-CB 3.31Å; L126-V129 PolarHBondContact O-N 2.98Å; L127-V129 VanDerWaalsContact C-N 3.31Å; V129-I132 HydrophobicContact CG1-CB 4.21Å; V129-I132 HydrophobicContact CG1-CD1 4.44Å; V129-G133 WeakPolarHBondContact O-CA 3.47Å; V129-G133 PolarHBondContact O-N 2.93Å; V129-L355 HydrophobicContact CG1-CD2 4.24Å; V129-V358 HydrophobicContact CG2-CG1 4.11Å
130P86.9Confident92.2Very high59 Ų5946.4 Ų46.438%0.38322%0.216SC..THydrogen-bonded Turntrans-56.8154.4178-22.634.5000110.6K128 I132 W134K128-P130 VanDerWaalsContact O-CD 3.26Å; K128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-I132 PolarHBondContact O-N 3.48Å; P130-W134 HydrophobicContact CB-CH2 4Å; P130-W134 HydrophobicContact CB-CZ2 3.99Å; P130-W134 HydrophobicContact CB-CZ3 4.36Å; P130-W134 HydrophobicContact CG-CZ2 4.31Å
131L91.6Very high92.2Very high5 Ų545.8 Ų45.83%0.02621%0.212CC..THydrogen-bonded Turntrans70.9-64.4-175.5-40-179.2000112.7F21 V22 L26 N29 T135F21-L131 HydrophobicContact CD1-CD1 4.41Å; F21-L131 HydrophobicContact CE1-CD1 4.17Å; V22-L131 HydrophobicContact CB-CD1 4.22Å; V22-L131 HydrophobicContact CG1-CD1 4.3Å; V22-L131 HydrophobicContact CG2-CD1 4.07Å; L26-L131 HydrophobicContact CB-CD2 4.44Å; L26-L131 HydrophobicContact CD2-CD2 3.58Å; L26-L131 HydrophobicContact CG-CD2 3.73Å; N29-L131 WeakPolarHBondContact OD1-CA 3.44Å; N29-L131 PolarHBondContact OD1-O 3.46Å; L131-T135 VanDerWaalsContact O-CB 3.25Å; L131-T135 WeakPolarHBondContact O-CB 3.23Å; L131-T135 PolarHBondContact O-N 3.41Å; L131-T135 PolarHBondContact O-OG1 2.83Å
132I91.7Very high92.4Very high43 Ų4344 Ų4422%0.22120%0.203CC..Hα-helixtrans-73.7-54.8-170.8-57.3178.4000110.7W58 V129 P130 W134 T135 W136W58-I132 HydrophobicContact CH2-CB 4.38Å; W58-I132 HydrophobicContact CH2-CG1 4.5Å; W58-I132 HydrophobicContact CH2-CG2 4.02Å; W58-I132 HydrophobicContact CZ3-CG1 4.3Å; W58-I132 HydrophobicContact CZ3-CG2 4.41Å; V129-I132 HydrophobicContact CG1-CB 4.21Å; V129-I132 HydrophobicContact CG1-CD1 4.44Å; P130-I132 PolarHBondContact O-N 3.48Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 3.34Å; I132-T135 PolarHBondContact O-N 3.23Å; I132-W136 HydrophobicContact CG2-CD2 4.06Å; I132-W136 HydrophobicContact CG2-CE3 4.37Å; I132-W136 HydrophobicContact CG2-CH2 4.09Å; I132-W136 HydrophobicContact CG2-CZ2 3.75Å; I132-W136 HydrophobicContact CG2-CZ3 4.39Å; I132-W136 WeakPolarHBondContact O-CB 3.32Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3Å
133G93.5Very high92.5Very high0 Ų044.6 Ų44.60%020%0.204CC..Hα-helixtrans-61.9-39.1-179.400000112.9L126 V129 W136 Y137L126-G133 WeakPolarHBondContact O-CA 3.34Å; V129-G133 WeakPolarHBondContact O-CA 3.47Å; V129-G133 PolarHBondContact O-N 2.93Å; G133-W136 PolarHBondContact O-N 2.78Å; G133-Y137 PolarHBondContact O-N 3.41Å
134W96Very high92.6Very high111 Ų11142.1 Ų42.142%0.4220%0.195SC..Hα-helixtrans-70-45.2179.2-55.8-13.1000111.7L26 N29 P130 I132 W136 Y137 F138L26-W134 HydrophobicContact CD2-CZ3 4.26Å; N29-W134 HydrophobicContact CB-CE3 4.21Å; P130-W134 HydrophobicContact CB-CH2 4Å; P130-W134 HydrophobicContact CB-CZ2 3.99Å; P130-W134 HydrophobicContact CB-CZ3 4.36Å; P130-W134 HydrophobicContact CG-CZ2 4.31Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 3.34Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 2.99Å; W134-Y137 WeakPolarHBondContact O-CB 3.2Å; W134-Y137 PolarHBondContact O-N 3.07Å; W134-Y137 VanDerWaalsContact O-N 3.12Å; W134-F138 HydrophobicContact CB-CE2 4.4Å; W134-F138 WeakPolarHBondContact O-CD2 3.38Å; W134-F138 PolarHBondContact O-N 3.34Å
135T97.6Very high92.5Very high0 Ų044.2 Ų44.20%020%0.203CC..Hα-helixtrans-57.9-42.5173.6-54.80000110.8N29 S54 L57 W58 L131 I132 Y137 F138 L139N29-T135 PolarHBondContact ND2-OG1 3.33Å; S54-T135 WeakPolarHBondContact OG-CG2 3.45Å; L57-T135 HydrophobicContact CD2-CG2 4.34Å; L57-T135 VanDerWaalsContact CD2-OG1 3.28Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.46Å; W58-T135 HydrophobicContact CH2-CG2 4.09Å; W58-T135 HydrophobicContact CZ2-CG2 3.46Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.46Å; L131-T135 VanDerWaalsContact O-CB 3.25Å; L131-T135 WeakPolarHBondContact O-CB 3.23Å; L131-T135 PolarHBondContact O-N 3.41Å; L131-T135 PolarHBondContact O-OG1 2.83Å; I132-T135 PolarHBondContact O-N 3.23Å; T135-Y137 PolarHBondContact O-N 3.46Å; T135-F138 PolarHBondContact O-N 2.87Å; T135-L139 HydrophobicContact CG2-CD1 4.34Å; T135-L139 WeakPolarHBondContact O-CB 3.46Å; T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 3.31Å
136W97.3Very high92.2Very high32 Ų3244.8 Ų44.812%0.12120%0.202CC..Hα-helixtrans-64.3-37.6176.5-73.7-2.6000113.3W58 V120 A122 L126 I132 G133 W134 L139 E140 I141 F143W58-W136 AromaticContact CH2-CD1 3.91Å; W58-W136 AromaticContact CH2-NE1 3.61Å; W58-W136 AromaticContact CZ2-CD1 3.43Å; W58-W136 VanDerWaalsContact CZ2-CD1 3.43Å; W58-W136 AromaticContact CZ2-NE1 3.32Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.32Å; V120-W136 HydrophobicContact CG1-CH2 4.43Å; V120-W136 HydrophobicContact CG1-CZ2 4.46Å; A122-W136 HydrophobicContact CB-CE3 3.82Å; A122-W136 HydrophobicContact CB-CZ3 3.72Å; L126-W136 HydrophobicContact CB-CE3 4.33Å; L126-W136 HydrophobicContact CB-CZ3 3.86Å; L126-W136 HydrophobicContact CD1-CH2 4.06Å; L126-W136 HydrophobicContact CD1-CZ3 3.56Å; L126-W136 HydrophobicContact CG-CZ3 4.28Å; I132-W136 HydrophobicContact CG2-CD2 4.06Å; I132-W136 HydrophobicContact CG2-CE3 4.37Å; I132-W136 HydrophobicContact CG2-CH2 4.09Å; I132-W136 HydrophobicContact CG2-CZ2 3.75Å; I132-W136 HydrophobicContact CG2-CZ3 4.39Å; I132-W136 WeakPolarHBondContact O-CB 3.32Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3Å; G133-W136 PolarHBondContact O-N 2.78Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 2.99Å; W136-L139 CarbonylContact O-C 3.48Å; W136-L139 PolarHBondContact O-N 3.15Å; W136-E140 PolarHBondContact O-N 3.01Å; W136-I141 HydrophobicContact CB-CB 3.97Å; W136-I141 HydrophobicContact CB-CD1 3.72Å; W136-I141 HydrophobicContact CB-CG1 4.36Å; W136-I141 HydrophobicContact CB-CG2 4.19Å; W136-I141 HydrophobicContact CD2-CD1 3.97Å; W136-I141 HydrophobicContact CG-CB 4.46Å; W136-I141 HydrophobicContact CG-CD1 3.38Å; W136-I141 HydrophobicContact CG-CG1 4.47Å; W136-I141 HydrophobicContact CG-CG2 4.47Å; W136-I141 WeakPolarHBondContact O-CB 3.24Å; W136-I141 PolarHBondContact O-N 3.12Å; W136-F143 HydrophobicContact CB-CE1 4.48Å; W136-F143 HydrophobicContact CB-CE2 4.3Å; W136-F143 HydrophobicContact CB-CZ 3.62Å; W136-F143 HydrophobicContact CE3-CE1 4.01Å; W136-F143 HydrophobicContact CE3-CZ 4.26Å
137Y96.8Very high92.2Very high143 Ų14347.6 Ų47.656%0.56121%0.212SC*.Hα-helixtrans-59.1-48.7172.4177.3-93.2000111.7L127 G133 W134 T135 L139 E140L127-Y137 HydrophobicContact CD1-CD2 4.07Å; L127-Y137 HydrophobicContact CD1-CG 4.36Å; G133-Y137 PolarHBondContact O-N 3.41Å; W134-Y137 WeakPolarHBondContact O-CB 3.2Å; W134-Y137 PolarHBondContact O-N 3.07Å; W134-Y137 VanDerWaalsContact O-N 3.12Å; T135-Y137 PolarHBondContact O-N 3.46Å; Y137-L139 PolarHBondContact O-N 3.42Å; Y137-E140 PolarHBondContact O-N 2.96Å
138F97.4Very high92Very high16 Ų1648.6 Ų48.67%0.0721%0.212CC..Hα-helixtrans-68.6-17.9177.7-61.6-59.2000113.9Q32 L33 Y46 N50 W134 T135 E140Q32-F138 HydrophobicContact CB-CB 4.19Å; Q32-F138 HydrophobicContact CB-CD1 4.25Å; Q32-F138 HydrophobicContact CB-CD2 3.35Å; Q32-F138 HydrophobicContact CB-CE1 4.49Å; Q32-F138 HydrophobicContact CB-CE2 3.64Å; Q32-F138 HydrophobicContact CB-CG 3.69Å; Q32-F138 HydrophobicContact CB-CZ 4.21Å; Q32-F138 HydrophobicContact CG-CD2 4.13Å; Q32-F138 HydrophobicContact CG-CG 4.49Å; L33-F138 HydrophobicContact CB-CZ 4.02Å; L33-F138 HydrophobicContact CD1-CZ 4.33Å; Y46-F138 WeakPolarHBondContact CE1-O 3.27Å; Y46-F138 WeakPolarHBondContact OH-CA 3.5Å; Y46-F138 WeakPolarHBondContact OH-CD1 3.32Å; Y46-F138 PolarHBondContact OH-O 3.49Å; N50-F138 WeakPolarHBondContact OD1-CB 3.48Å; W134-F138 HydrophobicContact CB-CE2 4.4Å; W134-F138 WeakPolarHBondContact O-CD2 3.38Å; W134-F138 PolarHBondContact O-N 3.34Å; T135-F138 PolarHBondContact O-N 2.87Å; F138-E140 VanDerWaalsContact C-N 3.31Å
139L97.3Very high92Very high0 Ų049.9 Ų49.90%022%0.22CC..THydrogen-bonded Turntrans-87.15.3169.7-75.8179.2000113N50 S54 K119 T135 W136 Y137 I141N50-L139 HydrophobicContact CB-CD2 4.44Å; S54-L139 VanDerWaalsContact OG-CD1 3.32Å; S54-L139 WeakPolarHBondContact OG-CD1 3.27Å; S54-L139 WeakPolarHBondContact OG-CD2 3.02Å; S54-L139 VanDerWaalsContact OG-CG 3.24Å; S54-L139 WeakPolarHBondContact OG-CG 3.41Å; K119-L139 PolarHBondContact NZ-O 3Å; T135-L139 HydrophobicContact CG2-CD1 4.34Å; T135-L139 WeakPolarHBondContact O-CB 3.46Å; T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 3.31Å; W136-L139 CarbonylContact O-C 3.48Å; W136-L139 PolarHBondContact O-N 3.15Å; Y137-L139 PolarHBondContact O-N 3.42Å; L139-I141 HydrophobicContact CB-CD1 4.4Å; L139-I141 HydrophobicContact CB-CG1 4.35Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-I141 PolarHBondContact O-N 3.2Å; L139-I141 VanDerWaalsContact O-N 3.15Å
140E96.5Very high92.1Very high17 Ų1753 Ų538%0.07923%0.234CC..THydrogen-bonded Turntrans5531.8-176.5-56.1171.77400113.1W39 R47 W136 Y137 F138 L162W39-E140 HydrophobicContact CH2-CG 4.1Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.3Å; W39-E140 WeakPolarHBondContact CH2-OE2 3.5Å; W39-E140 HydrophobicContact CZ3-CG 4.26Å; W39-E140 WeakPolarHBondContact CZ3-OE2 3.43Å; R47-E140 WeakPolarHBondContact CG-OE2 3.2Å; R47-E140 IonicContact CZ-OE1 2.9Å; R47-E140 IonicContact CZ-OE2 3.28Å; R47-E140 IonicContact NE-OE1 3.64Å; R47-E140 IonicContact NE-OE2 2.64Å; R47-E140 PolarHBondContact NE-OE2 3.47Å; R47-E140 IonicContact NH2-OE1 3.39Å; R47-E140 PolarHBondContact NH2-OE1 2.87Å; R47-E140 IonicContact NH2-OE2 3.2Å; R47-E140 PolarHBondContact NH2-OE2 3.22Å; W136-E140 PolarHBondContact O-N 3.01Å; Y137-E140 PolarHBondContact O-N 2.96Å; F138-E140 VanDerWaalsContact C-N 3.31Å; E140-L162 HydrophobicContact CB-CD2 4.32Å
141I96.3Very high92.2Very high11 Ų1150.8 Ų50.86%0.05622%0.219CC..  trans-63.3140172.9-82.8169.5000109.5K119 V120 A122 W136 L139 F143K119-I141 HydrophobicContact CB-CG1 4.45Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; V120-I141 HydrophobicContact CG1-CD1 4.44Å; V120-I141 HydrophobicContact CG1-CG2 4.41Å; V120-I141 WeakPolarHBondContact O-CG2 3.32Å; A122-I141 HydrophobicContact CB-CG2 3.72Å; W136-I141 HydrophobicContact CB-CB 3.97Å; W136-I141 HydrophobicContact CB-CD1 3.72Å; W136-I141 HydrophobicContact CB-CG1 4.36Å; W136-I141 HydrophobicContact CB-CG2 4.19Å; W136-I141 HydrophobicContact CD2-CD1 3.97Å; W136-I141 HydrophobicContact CG-CB 4.46Å; W136-I141 HydrophobicContact CG-CD1 3.38Å; W136-I141 HydrophobicContact CG-CG1 4.47Å; W136-I141 HydrophobicContact CG-CG2 4.47Å; W136-I141 WeakPolarHBondContact O-CB 3.24Å; W136-I141 PolarHBondContact O-N 3.12Å; L139-I141 HydrophobicContact CB-CD1 4.4Å; L139-I141 HydrophobicContact CB-CG1 4.35Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-I141 PolarHBondContact O-N 3.2Å; L139-I141 VanDerWaalsContact O-N 3.15Å; I141-F143 HydrophobicContact CB-CE2 4.4Å; I141-F143 HydrophobicContact CG2-CD2 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.16Å; I141-F143 HydrophobicContact CG2-CZ 4.27Å; I141-F143 WeakPolarHBondContact O-CD2 3.47Å; I141-F143 WeakPolarHBondContact O-CE2 3.19Å
142V94.7Very high92.2Very high5 Ų555.5 Ų55.53%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-83.7121.3-178.7-176.50000109.4L121 A122 V155 L159L121-V142 HydrophobicContact CD2-CB 3.73Å; L121-V142 HydrophobicContact CD2-CG1 3.57Å; A122-V142 PolarHBondContact N-O 3.48Å; V142-V155 HydrophobicContact CG1-CB 4.36Å; V142-V155 HydrophobicContact CG1-CG2 4.04Å; V142-L159 HydrophobicContact CG2-CD2 4.35Å; V142-L159 HydrophobicContact CG2-CG 4.42Å
143F93Very high92.2Very high19 Ų1961.5 Ų61.58%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-105.6130.7-179.1-69.7-88.8000111.6A122 L126 L127 W136 I141A122-F143 HydrophobicContact CB-CD1 3.71Å; A122-F143 HydrophobicContact CB-CE1 3.87Å; A122-F143 HydrophobicContact CB-CG 4.41Å; A122-F143 CarbonylContact O-C 3.56Å; A122-F143 WeakPolarHBondContact O-CA 3.39Å; L126-F143 HydrophobicContact CB-CE1 4.43Å; L127-F143 HydrophobicContact CB-CD1 4.14Å; L127-F143 HydrophobicContact CB-CE1 3.96Å; L127-F143 HydrophobicContact CB-CZ 4.3Å; L127-F143 HydrophobicContact CD1-CD2 4.44Å; L127-F143 HydrophobicContact CD1-CE1 4.35Å; L127-F143 HydrophobicContact CD1-CE2 3.9Å; L127-F143 HydrophobicContact CD1-CZ 3.82Å; W136-F143 HydrophobicContact CB-CE1 4.48Å; W136-F143 HydrophobicContact CB-CE2 4.3Å; W136-F143 HydrophobicContact CB-CZ 3.62Å; W136-F143 HydrophobicContact CE3-CE1 4.01Å; W136-F143 HydrophobicContact CE3-CZ 4.26Å; I141-F143 HydrophobicContact CB-CE2 4.4Å; I141-F143 HydrophobicContact CG2-CD2 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.16Å; I141-F143 HydrophobicContact CG2-CZ 4.27Å; I141-F143 WeakPolarHBondContact O-CD2 3.47Å; I141-F143 WeakPolarHBondContact O-CE2 3.19Å
144C90.3Very high92.1Very high17 Ų1765.3 Ų65.312%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-123.1138.4-177.3-49.40000112.1A122 K123 H124 R146 V155A122-C144 PolarHBondContact O-N 3.49Å; K123-C144 CarbonylContact C-O 3.54Å; K123-C144 WeakPolarHBondContact CA-O 3.4Å; H124-C144 PolarHBondContact N-O 3.21Å; C144-R146 PolarHBondContact O-N 3.07Å; C144-V155 WeakPolarHBondContact SG-CG2 3.21Å
145K86.8Confident92Very high108 Ų10860.4 Ų60.447%0.4727%0.272SS..  trans-75-11.8170.7-63.5176.1177.2173.20112.8H124 E150 D151H124-K145 HydrophobicContact CB-CG 4.04Å; K145-E150 HydrophobicContact CD-CB 4.23Å; K145-E150 WeakPolarHBondContact CD-OE2 3.49Å; K145-E150 IonicContact NZ-OE2 3.93Å; K145-E150 PolarHBondContact NZ-OE2 2.9Å; K145-D151 WeakPolarHBondContact CB-OD1 3.45Å; K145-D151 VanDerWaalsContact N-CG 3.29Å; K145-D151 PolarHBondContact N-OD1 2.82Å; K145-D151 PolarHBondContact N-OD2 3.44Å; K145-D151 VanDerWaalsContact N-OD2 3.08Å
146R82.5Confident91.9Very high100 Ų10063.3 Ų63.338%0.37729%0.285SS..SBendtrans71.135.6-175.5-52.1-178.5-68.7-169.42112.7C144 D151C144-R146 PolarHBondContact O-N 3.07Å; R146-D151 WeakPolarHBondContact CA-OD2 3.5Å; R146-D151 PolarHBondContact N-OD2 3.02Å
147K86Confident91.7Very high106 Ų10664 Ų6446%0.46130%0.297SS..  trans-134.7108.6172.4-71.6178.5176.7-172.70107.6E149 E150 D151K147-E149 VanDerWaalsContact C-N 3.31Å; K147-E149 PolarHBondContact O-N 3.05Å; K147-E150 HydrophobicContact CB-CB 4.29Å; K147-E150 HydrophobicContact CB-CG 4.3Å; K147-E150 HydrophobicContact CD-CG 4.36Å; K147-E150 WeakPolarHBondContact CD-OE1 3.28Å; K147-E150 WeakPolarHBondContact CE-OE1 3.46Å; K147-E150 IonicContact NZ-OE1 3.61Å; K147-E150 PolarHBondContact NZ-OE1 2.92Å; K147-E150 PolarHBondContact O-N 3.4Å; K147-D151 PolarHBondContact N-OD2 3.35Å; K147-D151 WeakPolarHBondContact O-CB 3.36Å; K147-D151 PolarHBondContact O-N 3.18Å
148W85.9Confident91.7Very high73 Ų7357.2 Ų57.228%0.27727%0.27SS..Hα-helixtrans-52.9-46.9-170.5178.7-111.2000113.2E150 D151 K152 F156 K209 T213W148-E150 PolarHBondContact O-N 3.12Å; W148-D151 PolarHBondContact O-N 2.79Å; W148-D151 VanDerWaalsContact O-N 3.1Å; W148-K152 HydrophobicContact CH2-CG 4.21Å; W148-K152 HydrophobicContact CZ2-CB 4.2Å; W148-K152 HydrophobicContact CZ2-CD 4.07Å; W148-K152 HydrophobicContact CZ2-CG 3.71Å; W148-K152 WeakPolarHBondContact O-CB 3.43Å; W148-K152 PolarHBondContact O-N 3.1Å; W148-F156 HydrophobicContact CH2-CD2 4.42Å; W148-F156 AromaticContact CH2-CE2 3.66Å; W148-F156 HydrophobicContact CH2-CE2 3.66Å; W148-F156 HydrophobicContact CH2-CZ 4.48Å; W148-F156 AromaticContact CZ2-CE2 3.96Å; W148-F156 HydrophobicContact CZ2-CE2 3.96Å; W148-K209 HydrophobicContact CD2-CG 3.91Å; W148-K209 HydrophobicContact CE3-CG 3.69Å; W148-K209 HydrophobicContact CH2-CD 4.32Å; W148-K209 VanDerWaalsContact CH2-CE 3.47Å; W148-K209 HydrophobicContact CH2-CG 4Å; W148-K209 HydrophobicContact CZ2-CD 4.22Å; W148-K209 HydrophobicContact CZ2-CG 4.22Å; W148-K209 HydrophobicContact CZ3-CG 3.74Å; W148-T213 HydrophobicContact CH2-CG2 4.09Å; W148-T213 VanDerWaalsContact CH2-OG1 3.32Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.46Å
149E87.9Confident91.6Very high164 Ų16456.4 Ų56.477%0.76627%0.267SS*.Hα-helixtrans-60.4-30.8179.8-55.5-48.5136.700113.7K147K147-E149 VanDerWaalsContact C-N 3.31Å; K147-E149 PolarHBondContact O-N 3.05Å
150E87.6Confident91.6Very high85 Ų8560.5 Ų60.540%0.39729%0.289SS..Hα-helixtrans-87.1-27176.7-63.8-174.3-13900112.6K145 K147 W148K145-E150 HydrophobicContact CD-CB 4.23Å; K145-E150 WeakPolarHBondContact CD-OE2 3.49Å; K145-E150 IonicContact NZ-OE2 3.93Å; K145-E150 PolarHBondContact NZ-OE2 2.9Å; K147-E150 HydrophobicContact CB-CB 4.29Å; K147-E150 HydrophobicContact CB-CG 4.3Å; K147-E150 HydrophobicContact CD-CG 4.36Å; K147-E150 WeakPolarHBondContact CD-OE1 3.28Å; K147-E150 WeakPolarHBondContact CE-OE1 3.46Å; K147-E150 IonicContact NZ-OE1 3.61Å; K147-E150 PolarHBondContact NZ-OE1 2.92Å; K147-E150 PolarHBondContact O-N 3.4Å; W148-E150 PolarHBondContact O-N 3.12Å
151D89.9Confident91.5Very high11 Ų1164.8 Ų64.86%0.05930%0.304CS..Hα-helixtrans-95.3-23.5-170-71.8-34.9000113.1K145 R146 K147 W148 E153 T154 V155K145-D151 WeakPolarHBondContact CB-OD1 3.45Å; K145-D151 VanDerWaalsContact N-CG 3.29Å; K145-D151 PolarHBondContact N-OD1 2.82Å; K145-D151 PolarHBondContact N-OD2 3.44Å; K145-D151 VanDerWaalsContact N-OD2 3.08Å; R146-D151 WeakPolarHBondContact CA-OD2 3.5Å; R146-D151 PolarHBondContact N-OD2 3.02Å; K147-D151 PolarHBondContact N-OD2 3.35Å; K147-D151 WeakPolarHBondContact O-CB 3.36Å; K147-D151 PolarHBondContact O-N 3.18Å; W148-D151 PolarHBondContact O-N 2.79Å; W148-D151 VanDerWaalsContact O-N 3.1Å; D151-E153 PolarHBondContact O-N 2.87Å; D151-T154 PolarHBondContact O-N 3.15Å; D151-T154 VanDerWaalsContact O-N 3.12Å; D151-V155 HydrophobicContact CB-CG2 4.09Å; D151-V155 WeakPolarHBondContact O-CB 3.49Å; D151-V155 WeakPolarHBondContact O-CG2 3.25Å; D151-V155 PolarHBondContact O-N 3.27Å
152K90.7Very high91.5Very high104 Ų10464.3 Ų64.345%0.45230%0.301SS..Hα-helixtrans-46.7-62.1-168.8-176.5-179.8178.5-172.20112W148 T154 V155 F156W148-K152 HydrophobicContact CH2-CG 4.21Å; W148-K152 HydrophobicContact CZ2-CB 4.2Å; W148-K152 HydrophobicContact CZ2-CD 4.07Å; W148-K152 HydrophobicContact CZ2-CG 3.71Å; W148-K152 WeakPolarHBondContact O-CB 3.43Å; W148-K152 PolarHBondContact O-N 3.1Å; K152-T154 VanDerWaalsContact C-N 3.33Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-V155 PolarHBondContact O-N 2.82Å; K152-F156 HydrophobicContact CG-CD2 3.79Å; K152-F156 HydrophobicContact CG-CE2 3.82Å; K152-F156 VanDerWaalsContact O-CD2 3.26Å; K152-F156 WeakPolarHBondContact O-CD2 3.49Å; K152-F156 PolarHBondContact O-N 2.96Å
153E92.1Very high91.5Very high169 Ų16968.4 Ų68.479%0.7932%0.319SS*.Hα-helixtrans-59.9-42.5-176.5-64-176.8170.800112.8D151 V155 F156 A157D151-E153 PolarHBondContact O-N 2.87Å; E153-V155 PolarHBondContact O-N 3.15Å; E153-F156 PolarHBondContact O-N 2.84Å; E153-A157 VanDerWaalsContact O-CB 3.27Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.94Å
154T91.7Very high91.6Very high80 Ų8070.4 Ų70.449%0.49133%0.331SS..Hα-helixtrans-65.6-39.3179.7-62.70000111.6D151 K152 G158D151-T154 PolarHBondContact O-N 3.15Å; D151-T154 VanDerWaalsContact O-N 3.12Å; K152-T154 VanDerWaalsContact C-N 3.33Å; K152-T154 PolarHBondContact O-N 2.91Å; T154-G158 WeakPolarHBondContact O-CA 3.4Å; T154-G158 PolarHBondContact O-N 3.08Å
155V93.3Very high91.9Very high8 Ų870 Ų705%0.04833%0.326CS..Hα-helixtrans-68-49.2178.1170.40000110.8V142 C144 D151 K152 E153 G158 L159 T213V142-V155 HydrophobicContact CG1-CB 4.36Å; V142-V155 HydrophobicContact CG1-CG2 4.04Å; C144-V155 WeakPolarHBondContact SG-CG2 3.21Å; D151-V155 HydrophobicContact CB-CG2 4.09Å; D151-V155 WeakPolarHBondContact O-CB 3.49Å; D151-V155 WeakPolarHBondContact O-CG2 3.25Å; D151-V155 PolarHBondContact O-N 3.27Å; K152-V155 PolarHBondContact O-N 2.82Å; E153-V155 PolarHBondContact O-N 3.15Å; V155-G158 PolarHBondContact O-N 3.34Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 4.35Å; V155-L159 WeakPolarHBondContact O-CB 3.32Å; V155-L159 VanDerWaalsContact O-CG 3.29Å; V155-L159 WeakPolarHBondContact O-CG 3.48Å; V155-L159 PolarHBondContact O-N 3.1Å; V155-T213 HydrophobicContact CG1-CG2 3.99Å
156F95.2Very high92.3Very high62 Ų6266.4 Ų66.427%0.27232%0.315SS..Hα-helixtrans-60-50.6178-86.7-86000111.2W148 K152 E153 G158 L159 D160 T213 C217W148-F156 HydrophobicContact CH2-CD2 4.42Å; W148-F156 AromaticContact CH2-CE2 3.66Å; W148-F156 HydrophobicContact CH2-CE2 3.66Å; W148-F156 HydrophobicContact CH2-CZ 4.48Å; W148-F156 AromaticContact CZ2-CE2 3.96Å; W148-F156 HydrophobicContact CZ2-CE2 3.96Å; K152-F156 HydrophobicContact CG-CD2 3.79Å; K152-F156 HydrophobicContact CG-CE2 3.82Å; K152-F156 VanDerWaalsContact O-CD2 3.26Å; K152-F156 WeakPolarHBondContact O-CD2 3.49Å; K152-F156 PolarHBondContact O-N 2.96Å; E153-F156 PolarHBondContact O-N 2.84Å; F156-G158 VanDerWaalsContact C-N 3.31Å; F156-G158 PolarHBondContact O-N 3.39Å; F156-L159 PolarHBondContact O-N 3.44Å; F156-D160 VanDerWaalsContact O-CB 3.28Å; F156-D160 WeakPolarHBondContact O-CB 3.41Å; F156-D160 PolarHBondContact O-N 3.49Å; F156-T213 HydrophobicContact CD2-CG2 4.23Å; F156-T213 HydrophobicContact CE1-CG2 4.12Å; F156-T213 HydrophobicContact CE2-CG2 3.81Å; F156-T213 HydrophobicContact CZ-CG2 3.74Å; F156-C217 WeakPolarHBondContact CD1-SG 3.39Å; F156-C217 VanDerWaalsContact CE1-SG 3.59Å
157A94.8Very high93Very high46 Ų4663.7 Ų63.738%0.3831%0.306SS..Hα-helixtrans-63.6-36.4178.400000112.6E153 R161E153-A157 VanDerWaalsContact O-CB 3.27Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.94Å; A157-R161 WeakPolarHBondContact O-CG 3.49Å; A157-R161 PolarHBondContact O-N 3.22Å
158G95.4Very high93.6Very high0 Ų064.1 Ų64.10%031%0.306CS..Hα-helixtrans-66.2-46.4177.300000113T154 V155 F156T154-G158 WeakPolarHBondContact O-CA 3.4Å; T154-G158 PolarHBondContact O-N 3.08Å; V155-G158 PolarHBondContact O-N 3.34Å; F156-G158 VanDerWaalsContact C-N 3.31Å; F156-G158 PolarHBondContact O-N 3.39Å
159L96.4Very high94.1Very high0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-68.6-40.7178-69.1169.1000111.8V142 V155 F156 R161 L162 F171 T213 T214 C217 L218V142-L159 HydrophobicContact CG2-CD2 4.35Å; V142-L159 HydrophobicContact CG2-CG 4.42Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 4.35Å; V155-L159 WeakPolarHBondContact O-CB 3.32Å; V155-L159 VanDerWaalsContact O-CG 3.29Å; V155-L159 WeakPolarHBondContact O-CG 3.48Å; V155-L159 PolarHBondContact O-N 3.1Å; F156-L159 PolarHBondContact O-N 3.44Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.85Å; L159-L162 WeakPolarHBondContact O-CB 3.31Å; L159-L162 PolarHBondContact O-N 2.77Å; L159-F171 HydrophobicContact CD2-CE1 4.25Å; L159-F171 HydrophobicContact CD2-CE2 3.81Å; L159-F171 HydrophobicContact CD2-CZ 3.55Å; L159-T213 HydrophobicContact CD1-CG2 4.09Å; L159-T214 HydrophobicContact CD2-CG2 4.14Å; L159-C217 HydrophobicContact CB-CB 3.57Å; L159-C217 HydrophobicContact CD1-CB 3.91Å; L159-C217 HydrophobicContact CG-CB 4.37Å; L159-L218 HydrophobicContact CB-CD2 4.47Å; L159-L218 HydrophobicContact CD2-CD1 4.35Å; L159-L218 HydrophobicContact CD2-CG 4.47Å; L159-L218 VanDerWaalsContact O-CD2 3.26Å; L159-L218 WeakPolarHBondContact O-CD2 3.39Å
160D95.7Very high94.6Very high85 Ų8553.6 Ų53.646%0.45526%0.259SS..Hα-helixtrans-59.8-38.6178.4-168.667.7000111.9F156 L162 K163F156-D160 VanDerWaalsContact O-CB 3.28Å; F156-D160 WeakPolarHBondContact O-CB 3.41Å; F156-D160 PolarHBondContact O-N 3.49Å; D160-L162 PolarHBondContact O-N 3.18Å; D160-L162 VanDerWaalsContact O-N 3.13Å; D160-K163 WeakPolarHBondContact O-CB 3.29Å; D160-K163 WeakPolarHBondContact O-CG 3.28Å; D160-K163 PolarHBondContact O-N 3.01Å; D160-K163 VanDerWaalsContact O-N 3.16Å; D160-K163 WeakPolarHBondContact OD1-CD 3.35Å; D160-K163 WeakPolarHBondContact OD1-CE 3.43Å; D160-K163 IonicContact OD1-NZ 2.68Å; D160-K163 PolarHBondContact OD1-NZ 3.29Å
161R94.3Very high95.1Very high108 Ų10849.6 Ų49.641%0.40824%0.24SC..THydrogen-bonded Turntrans-60.6-21.4173.6-78.2-168.6-61.1-96.14.8114.2R47 A157 L159R47-R161 PolarHBondContact NH2-O 3.36Å; A157-R161 WeakPolarHBondContact O-CG 3.49Å; A157-R161 PolarHBondContact O-N 3.22Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.85Å
162L96.3Very high95.5Very high0 Ų050.4 Ų50.40%024%0.244CC..THydrogen-bonded Turntrans-87.1-5.9-178.5-59.2176000113E140 L159 D160 D164 Y165 M169 F171 L218E140-L162 HydrophobicContact CB-CD2 4.32Å; L159-L162 WeakPolarHBondContact O-CB 3.31Å; L159-L162 PolarHBondContact O-N 2.77Å; D160-L162 PolarHBondContact O-N 3.18Å; D160-L162 VanDerWaalsContact O-N 3.13Å; L162-D164 VanDerWaalsContact C-N 3.25Å; L162-D164 PolarHBondContact O-N 3.28Å; L162-Y165 HydrophobicContact CD2-CD2 3.8Å; L162-Y165 HydrophobicContact CD2-CE2 4.21Å; L162-Y165 WeakPolarHBondContact O-CB 3.44Å; L162-Y165 PolarHBondContact O-N 3.08Å; L162-M169 HydrophobicContact CB-CE 4.09Å; L162-M169 HydrophobicContact CB-SD 4.21Å; L162-M169 HydrophobicContact CD1-CE 4.3Å; L162-M169 HydrophobicContact CD1-SD 3.92Å; L162-M169 HydrophobicContact CD2-SD 4.44Å; L162-M169 HydrophobicContact CG-SD 4.42Å; L162-F171 HydrophobicContact CD1-CD2 4.05Å; L162-F171 HydrophobicContact CD1-CE2 3.71Å; L162-L218 HydrophobicContact CB-CD2 4.15Å
163K95.8Very high95.8Very high92 Ų9245.8 Ų45.840%0.423%0.225SC..THydrogen-bonded Turntrans-61.2-32.8-178.1-73.8178174.1169.80114D160 C217 T221D160-K163 WeakPolarHBondContact O-CB 3.29Å; D160-K163 WeakPolarHBondContact O-CG 3.28Å; D160-K163 PolarHBondContact O-N 3.01Å; D160-K163 VanDerWaalsContact O-N 3.16Å; D160-K163 WeakPolarHBondContact OD1-CD 3.35Å; D160-K163 WeakPolarHBondContact OD1-CE 3.43Å; D160-K163 IonicContact OD1-NZ 2.68Å; D160-K163 PolarHBondContact OD1-NZ 3.29Å; K163-C217 WeakPolarHBondContact CE-O 3.31Å; K163-T221 VanDerWaalsContact CA-OG1 3.28Å; K163-T221 WeakPolarHBondContact CA-OG1 3.19Å; K163-T221 WeakPolarHBondContact O-CG2 3.3Å; K163-T221 PolarHBondContact O-OG1 3.32Å; K163-T221 VanDerWaalsContact O-OG1 3.12Å
164D95.1Very high95.9Very high61 Ų6139.7 Ų39.733%0.32620%0.195SC..THydrogen-bonded Turntrans-108.427.3-179.575.2-37.4000112.3R43 Q44 R47 L162R43-D164 IonicContact CZ-OD2 3.28Å; R43-D164 IonicContact NE-OD2 2.64Å; R43-D164 IonicContact NH2-OD1 3.51Å; R43-D164 IonicContact NH2-OD2 2.91Å; R43-D164 PolarHBondContact NH2-OD2 3.11Å; Q44-D164 PolarHBondContact NE2-O 3.01Å; Q44-D164 PolarHBondContact NE2-OD2 3.45Å; Q44-D164 PolarHBondContact OE1-O 3.22Å; R47-D164 IonicContact CZ-OD1 2.88Å; R47-D164 PolarHBondContact NH1-O 3.41Å; R47-D164 IonicContact NH1-OD1 3.23Å; R47-D164 PolarHBondContact NH1-OD1 3.38Å; R47-D164 IonicContact NH1-OD2 3.99Å; R47-D164 PolarHBondContact NH1-OD2 2.83Å; R47-D164 IonicContact NH2-OD1 2.79Å; L162-D164 VanDerWaalsContact C-N 3.25Å; L162-D164 PolarHBondContact O-N 3.28Å
165Y96.5Very high96.1Very high7 Ų736.2 Ų36.23%0.02717%0.173CC..  trans-67.7130.6-180-151.4-92.9000110.7R47 C51 K119 L162 E167R47-Y165 HydrophobicContact CB-CE2 4.18Å; R47-Y165 HydrophobicContact CG-CD2 4.28Å; R47-Y165 HydrophobicContact CG-CE2 3.76Å; C51-Y165 PolarHBondContact SG-OH 2.86Å; K119-Y165 PolarHBondContact NZ-OH 2.77Å; L162-Y165 HydrophobicContact CD2-CD2 3.8Å; L162-Y165 HydrophobicContact CD2-CE2 4.21Å; L162-Y165 WeakPolarHBondContact O-CB 3.44Å; L162-Y165 PolarHBondContact O-N 3.08Å; Y165-E167 VanDerWaalsContact C-N 3.3Å; Y165-E167 HydrophobicContact CD1-CB 4.29Å; Y165-E167 HydrophobicContact CE1-CB 4.25Å; Y165-E167 PolarHBondContact O-N 3.1Å
166P96.1Very high96.2Very high34 Ų3435.8 Ų35.822%0.22117%0.171CC..SBendtrans-80.4-7.6-166.328.6-32.4000115R47 R48R47-P166 HydrophobicContact CB-CG 3.72Å; R48-P166 HydrophobicContact CG-CB 4.17Å; R48-P166 HydrophobicContact CG-CG 3.89Å
167E96.8Very high95.8Very high43 Ų4334.2 Ų34.220%0.20117%0.172CC..SBendtrans-120.5140.1-176.8-62.9-77.9-17600108R48 C51 R52 H89 Y165 M169R48-E167 HydrophobicContact CG-CG 4.49Å; C51-E167 HydrophobicContact CB-CG 4.41Å; R52-E167 IonicContact NE-OE1 3.53Å; R52-E167 IonicContact NH2-OE1 2.76Å; R52-E167 PolarHBondContact NH2-OE1 3.23Å; H89-E167 PolarHBondContact CE1-O 3.19Å; Y165-E167 VanDerWaalsContact C-N 3.3Å; Y165-E167 HydrophobicContact CD1-CB 4.29Å; Y165-E167 HydrophobicContact CE1-CB 4.25Å; Y165-E167 PolarHBondContact O-N 3.1Å; E167-M169 PolarHBondContact O-N 2.7Å
168Y97.9Very high95.6Very high114 Ų11432.3 Ų32.345%0.44716%0.156SC..  trans-54.8127.3175.7-70-58.2000110.4G86 K87 H89 S117G86-Y168 WeakPolarHBondContact O-CD2 3.18Å; K87-Y168 WeakPolarHBondContact O-CE1 3.14Å; K87-Y168 VanDerWaalsContact O-CZ 3.26Å; K87-Y168 PolarHBondContact O-OH 2.8Å; H89-Y168 AromaticContact CD2-CD1 3.71Å; H89-Y168 AromaticContact NE2-CD1 3.79Å; S117-Y168 VanDerWaalsContact CB-O 3.31Å; S117-Y168 WeakPolarHBondContact CB-O 3.34Å; S117-Y168 PolarHBondContact OG-O 2.86Å
169M96.4Very high95.3Very high0 Ų033.1 Ų33.10%016%0.159CC..  trans-110.8128.3-169.5178.9177.168.100110.5H89 V90 K119 L162 E167 F171 L218H89-M169 WeakPolarHBondContact CA-O 3.26Å; H89-M169 WeakPolarHBondContact ND1-CB 3.49Å; H89-M169 PolarHBondContact ND1-N 2.92Å; H89-M169 VanDerWaalsContact ND1-N 3.19Å; V90-M169 PolarHBondContact N-O 3.48Å; K119-M169 HydrophobicContact CB-CG 4.3Å; K119-M169 HydrophobicContact CB-SD 4.2Å; K119-M169 HydrophobicContact CD-SD 4.45Å; K119-M169 HydrophobicContact CG-CG 3.57Å; K119-M169 HydrophobicContact CG-SD 3.39Å; K119-M169 WeakPolarHBondContact CG-SD 3.47Å; L162-M169 HydrophobicContact CB-CE 4.09Å; L162-M169 HydrophobicContact CB-SD 4.21Å; L162-M169 HydrophobicContact CD1-CE 4.3Å; L162-M169 HydrophobicContact CD1-SD 3.92Å; L162-M169 HydrophobicContact CD2-SD 4.44Å; L162-M169 HydrophobicContact CG-SD 4.42Å; E167-M169 PolarHBondContact O-N 2.7Å; M169-F171 HydrophobicContact CE-CB 4.25Å; M169-F171 HydrophobicContact CE-CD2 4.08Å; M169-F171 HydrophobicContact CG-CB 4.46Å; M169-F171 HydrophobicContact SD-CD2 4.03Å; M169-L218 HydrophobicContact CE-CD1 3.85Å
170W98.3Very high95.1Very high17 Ų1735.5 Ų35.56%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-102.7106.5166.8-74.117.2000108.5F85 V90 V92 M108 Y112 V114 K119 Y226F85-W170 HydrophobicContact CB-CH2 4.16Å; F85-W170 HydrophobicContact CB-CZ2 3.86Å; F85-W170 HydrophobicContact CD1-CH2 4.37Å; F85-W170 HydrophobicContact CD1-CZ2 4.16Å; F85-W170 HydrophobicContact CD2-CH2 4.24Å; F85-W170 HydrophobicContact CG-CH2 4.02Å; F85-W170 AromaticContact CG-CZ2 4Å; F85-W170 HydrophobicContact CG-CZ2 4Å; V90-W170 HydrophobicContact CG2-CB 4.23Å; V90-W170 HydrophobicContact CG2-CD2 4.23Å; V90-W170 HydrophobicContact CG2-CG 3.7Å; V92-W170 HydrophobicContact CG2-CB 4.12Å; V92-W170 HydrophobicContact CG2-CG 4.44Å; M108-W170 HydrophobicContact CB-CZ3 4.13Å; Y112-W170 HydrophobicContact CD2-CH2 4.18Å; V114-W170 HydrophobicContact CB-CG 4.49Å; V114-W170 HydrophobicContact CG2-CB 4.45Å; V114-W170 HydrophobicContact CG2-CD2 3.56Å; V114-W170 HydrophobicContact CG2-CE3 3.91Å; V114-W170 HydrophobicContact CG2-CG 3.78Å; V114-W170 HydrophobicContact CG2-CZ2 4.29Å; V114-W170 HydrophobicContact CG2-CZ3 4.41Å; K119-W170 PolarHBondContact N-O 3.06Å; W170-Y226 AromaticContact CE2-CE2 3.95Å; W170-Y226 HydrophobicContact CH2-CE2 4.37Å; W170-Y226 HydrophobicContact CZ2-CD2 4.41Å; W170-Y226 AromaticContact CZ2-CE2 3.76Å; W170-Y226 HydrophobicContact CZ2-CE2 3.76Å
171F98.2Very high94.9Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-97.5102.8-174.3-165.7-80.3000110.8V90 I91 V92 K119 L121 L159 L162 M169 L173 T214V90-F171 PolarHBondContact O-N 3.34Å; I91-F171 CarbonylContact C-O 3.57Å; I91-F171 WeakPolarHBondContact CA-O 3.5Å; V92-F171 PolarHBondContact N-O 3.06Å; K119-F171 HydrophobicContact CB-CD2 3.54Å; K119-F171 HydrophobicContact CB-CE2 3.99Å; K119-F171 HydrophobicContact CB-CG 4.28Å; K119-F171 HydrophobicContact CG-CD2 4.25Å; L121-F171 HydrophobicContact CD1-CE1 4.39Å; L121-F171 HydrophobicContact CD2-CZ 4.3Å; L121-F171 HydrophobicContact CG-CE1 3.87Å; L121-F171 HydrophobicContact CG-CZ 3.86Å; L159-F171 HydrophobicContact CD2-CE1 4.25Å; L159-F171 HydrophobicContact CD2-CE2 3.81Å; L159-F171 HydrophobicContact CD2-CZ 3.55Å; L162-F171 HydrophobicContact CD1-CD2 4.05Å; L162-F171 HydrophobicContact CD1-CE2 3.71Å; M169-F171 HydrophobicContact CE-CB 4.25Å; M169-F171 HydrophobicContact CE-CD2 4.08Å; M169-F171 HydrophobicContact CG-CB 4.46Å; M169-F171 HydrophobicContact SD-CD2 4.03Å; F171-L173 HydrophobicContact CD1-CD2 4.13Å; F171-L173 HydrophobicContact CD1-CG 4.21Å; F171-L173 HydrophobicContact CE1-CD2 3.73Å; F171-L173 HydrophobicContact CE1-CG 4.3Å; F171-T214 HydrophobicContact CD1-CG2 3.88Å; F171-T214 HydrophobicContact CE1-CG2 3.89Å
172L97.9Very high94.8Very high29 Ų2933.8 Ų33.815%0.15217%0.166CC..EExtended strand (participates in β ladder)trans-79.3132-174.7-179.963.2000112.8V92 L94 K119 V120 L121 Y174V92-L172 HydrophobicContact CB-CD1 4.19Å; V92-L172 HydrophobicContact CG1-CD1 4Å; V92-L172 CarbonylContact O-C 3.58Å; L94-L172 HydrophobicContact CB-CD1 3.66Å; L94-L172 HydrophobicContact CD2-CD1 4.22Å; K119-L172 WeakPolarHBondContact O-CB 3.25Å; K119-L172 PolarHBondContact O-N 3.4Å; V120-L172 WeakPolarHBondContact CA-O 2.95Å; V120-L172 HydrophobicContact CB-CB 4.27Å; V120-L172 HydrophobicContact CG2-CB 4.22Å; V120-L172 HydrophobicContact CG2-CD2 4.31Å; V120-L172 HydrophobicContact CG2-CG 4.33Å; L121-L172 PolarHBondContact N-O 3.21Å; L172-Y174 HydrophobicContact CD2-CD2 4.38Å; L172-Y174 HydrophobicContact CD2-CE2 3.55Å; L172-Y174 HydrophobicContact CG-CD2 4.42Å; L172-Y174 HydrophobicContact CG-CE2 4.04Å
173L96.9Very high94.7Very high7 Ų740.5 Ų40.54%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-125.4123.8171.5-65.5-178.9000110.6I91 V92 I93 L94 L121 F171 F211 T214I91-L173 HydrophobicContact CG2-CD1 3.56Å; I91-L173 HydrophobicContact CG2-CG 4.06Å; V92-L173 PolarHBondContact O-N 3.07Å; I93-L173 WeakPolarHBondContact CA-O 3.43Å; L94-L173 PolarHBondContact N-O 2.83Å; L94-L173 VanDerWaalsContact N-O 3.15Å; L121-L173 HydrophobicContact CB-CD2 4.2Å; L121-L173 HydrophobicContact CD1-CD2 3.44Å; L121-L173 VanDerWaalsContact CD1-CD2 3.44Å; L121-L173 HydrophobicContact CG-CD2 3.95Å; F171-L173 HydrophobicContact CD1-CD2 4.13Å; F171-L173 HydrophobicContact CD1-CG 4.21Å; F171-L173 HydrophobicContact CE1-CD2 3.73Å; F171-L173 HydrophobicContact CE1-CG 4.3Å; L173-F211 HydrophobicContact CD1-CB 4.18Å; L173-F211 HydrophobicContact CD1-CD2 3.91Å; L173-T214 HydrophobicContact CD1-CG2 4.47Å
174Y95.8Very high94.6Very high41 Ų4137.2 Ų37.216%0.16118%0.181CC..  trans-94.890.1161.9-65.7-73.8000108.2L94 H96 D101 F102 L172 E176 G177L94-Y174 HydrophobicContact CB-CD1 4.17Å; L94-Y174 HydrophobicContact CB-CE1 3.86Å; L94-Y174 HydrophobicContact CD2-CE1 3.77Å; L94-Y174 HydrophobicContact CG-CD1 4.5Å; L94-Y174 HydrophobicContact CG-CE1 3.81Å; L94-Y174 VanDerWaalsContact O-CD1 3.28Å; L94-Y174 WeakPolarHBondContact O-CD1 3.48Å; H96-Y174 HydrophobicContact CB-CD1 3.44Å; H96-Y174 VanDerWaalsContact CB-CD1 3.44Å; H96-Y174 HydrophobicContact CB-CE1 4.03Å; H96-Y174 HydrophobicContact CB-CG 4.02Å; H96-Y174 AromaticContact CD2-CG 3.86Å; H96-Y174 AromaticContact CE1-CZ 3.98Å; H96-Y174 AromaticContact CG-CD1 3.46Å; H96-Y174 VanDerWaalsContact CG-CD1 3.46Å; H96-Y174 AromaticContact CG-CE1 3.78Å; H96-Y174 AromaticContact CG-CG 3.78Å; H96-Y174 AromaticContact ND1-CD1 3.69Å; H96-Y174 AromaticContact ND1-CE1 3.49Å; H96-Y174 WeakPolarHBondContact ND1-CE1 3.38Å; H96-Y174 AromaticContact ND1-CZ 3.86Å; D101-Y174 HydrophobicContact CB-CE1 4.19Å; F102-Y174 PolarHBondContact N-OH 3.41Å; L172-Y174 HydrophobicContact CD2-CD2 4.38Å; L172-Y174 HydrophobicContact CD2-CE2 3.55Å; L172-Y174 HydrophobicContact CG-CD2 4.42Å; L172-Y174 HydrophobicContact CG-CE2 4.04Å; Y174-E176 PolarHBondContact O-N 3.29Å; Y174-G177 WeakPolarHBondContact O-CA 3.13Å; Y174-G177 PolarHBondContact O-N 3.2Å
175C95.9Very high94.6Very high6 Ų635.4 Ų35.44%0.04117%0.17CC..THydrogen-bonded Turntrans-66.8-19.3-173.4-63.50000112.7G177 P206 R207 L274 Y278C175-G177 PolarHBondContact O-N 2.8Å; C175-P206 HydrophobicContact CB-CB 3.99Å; C175-R207 WeakPolarHBondContact O-CB 3.13Å; C175-R207 PolarHBondContact O-N 3.47Å; C175-L274 HydrophobicContact CB-CD1 4.42Å; C175-L274 HydrophobicContact CB-CD2 4.09Å; C175-Y278 HydrophobicContact CB-CE2 3.79Å; C175-Y278 WeakPolarHBondContact CB-OH 3.45Å
176E93.8Very high94.6Very high0 Ų040.1 Ų40.10%019%0.193CC..THydrogen-bonded Turntrans-61.5-24.3169.1-64.7-179.5-102.200112.9N95 H96 Y174 T178 L204 Y278N95-E176 VanDerWaalsContact CA-OE1 3.29Å; N95-E176 WeakPolarHBondContact CA-OE1 3.43Å; H96-E176 PolarHBondContact N-OE1 3.39Å; Y174-E176 PolarHBondContact O-N 3.29Å; E176-T178 PolarHBondContact O-N 3.4Å; E176-T178 VanDerWaalsContact O-N 3.15Å; E176-L204 HydrophobicContact CB-CB 4.04Å; E176-L204 HydrophobicContact CB-CD1 4.4Å; E176-L204 HydrophobicContact CG-CB 4.03Å; E176-L204 WeakPolarHBondContact OE2-CB 3.42Å; E176-L204 WeakPolarHBondContact OE2-CG 3.44Å; E176-L204 PolarHBondContact OE2-N 3.07Å; E176-Y278 HydrophobicContact CG-CE1 3.55Å
177G88.5Confident94.5Very high28 Ų2839.7 Ų39.729%0.28919%0.188SC..SBendtrans73.1-1.8176.200000115.2Y174 C175Y174-G177 WeakPolarHBondContact O-CA 3.13Å; Y174-G177 PolarHBondContact O-N 3.2Å; C175-G177 PolarHBondContact O-N 2.8Å
178T89Confident94.4Very high7 Ų737.6 Ų37.64%0.04318%0.179CC..SBendtrans-164.9155.6175.2175.30000109.6E176 K184 L204 Y368E176-T178 PolarHBondContact O-N 3.4Å; E176-T178 VanDerWaalsContact O-N 3.15Å; T178-K184 HydrophobicContact CG2-CD 3.79Å; T178-K184 PolarHBondContact OG1-NZ 2.95Å; T178-L204 HydrophobicContact CG2-CD1 3.55Å; T178-Y368 HydrophobicContact CG2-CD2 3.5Å; T178-Y368 VanDerWaalsContact CG2-CD2 3.5Å; T178-Y368 HydrophobicContact CG2-CE2 4.15Å; T178-Y368 HydrophobicContact CG2-CG 3.92Å
179R90.1Very high94.4Very high17 Ų1733 Ų336%0.06416%0.162CC..  trans-58.7139.4169.9-69.1-175.5-173.1133.4-13.9112.8H96 F98 E99 K184 T359 V361 T364H96-R179 PolarHBondContact CD2-N 2.89Å; H96-R179 WeakPolarHBondContact CE1-CG 3.49Å; H96-R179 PolarHBondContact CE1-NE 3.28Å; H96-R179 VanDerWaalsContact NE2-CG 3.28Å; H96-R179 WeakPolarHBondContact NE2-CG 3.47Å; H96-R179 CarbonylContact O-C 3.54Å; H96-R179 WeakPolarHBondContact O-CA 3.35Å; F98-R179 PolarHBondContact O-NE 3.37Å; E99-R179 PolarHBondContact O-NH2 3.24Å; R179-K184 WeakPolarHBondContact O-CD 3.17Å; R179-K184 PolarHBondContact O-NZ 3.46Å; R179-T359 PolarHBondContact NH1-O 2.94Å; R179-T359 PolarHBondContact NH2-O 3.48Å; R179-T359 VanDerWaalsContact NH2-O 3.1Å; R179-V361 HydrophobicContact CB-CG1 4.12Å; R179-T364 PolarHBondContact NH1-OG1 2.83Å
180F92Very high94.3Very high49 Ų4939 Ų3922%0.21519%0.19CC..  trans-58.1136.5173.5-172.8-80.8000111H96 N97 H185 Y202 L204H96-F180 PolarHBondContact O-N 2.99Å; N97-F180 WeakPolarHBondContact OD1-CB 3.34Å; F180-H185 HydrophobicContact CD2-CB 4.5Å; F180-H185 HydrophobicContact CE1-CB 4.4Å; F180-H185 HydrophobicContact CE2-CB 3.7Å; F180-H185 AromaticContact CE2-CD2 3.45Å; F180-H185 VanDerWaalsContact CE2-CD2 3.45Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.48Å; F180-H185 AromaticContact CE2-CG 3.75Å; F180-H185 HydrophobicContact CZ-CB 3.62Å; F180-H185 AromaticContact CZ-CD2 3.85Å; F180-H185 AromaticContact CZ-CG 3.74Å; F180-Y202 WeakPolarHBondContact CE2-O 3.28Å; F180-L204 HydrophobicContact CD2-CD2 3.96Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.3Å
181T92.1Very high94.1Very high42 Ų4240.4 Ų40.426%0.25820%0.2SC..  trans-153.5148.1167.658.40000106.3K183 K184 H185 V361T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 2.88Å; T181-K183 VanDerWaalsContact O-N 3.15Å; T181-K184 PolarHBondContact O-N 2.83Å; T181-K184 WeakPolarHBondContact OG1-CB 3.41Å; T181-K184 VanDerWaalsContact OG1-CD 3.29Å; T181-K184 WeakPolarHBondContact OG1-CD 3.42Å; T181-K184 WeakPolarHBondContact OG1-CG 3.44Å; T181-K184 PolarHBondContact OG1-N 3.39Å; T181-H185 PolarHBondContact O-N 2.83Å; T181-V361 HydrophobicContact CG2-CG1 3.97Å
182E92.4Very high94Very high116 Ų11640.4 Ų40.454%0.54220%0.2SC..Hα-helixtrans-48.4-47.8-179.3-173.354.4-145.100113.1K184 H185 Q186E182-K184 PolarHBondContact O-N 3.48Å; E182-H185 WeakPolarHBondContact O-CB 3.45Å; E182-H185 PolarHBondContact O-N 2.9Å; E182-H185 VanDerWaalsContact O-N 3.14Å; E182-Q186 WeakPolarHBondContact O-CG 3.22Å; E182-Q186 PolarHBondContact O-N 3.15Å; E182-Q186 PolarHBondContact OE1-NE2 2.83Å; E182-Q186 VanDerWaalsContact OE1-NE2 3.14Å
183K93Very high93.9Very high141 Ų14144.9 Ų44.961%0.61322%0.22SC*.Hα-helixtrans-57.4-43176.8-178.4174.3-179.8172.70113.4T181 I187T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 2.88Å; T181-K183 VanDerWaalsContact O-N 3.15Å; K183-I187 HydrophobicContact CG-CD1 4.38Å; K183-I187 WeakPolarHBondContact O-CG1 3.37Å; K183-I187 PolarHBondContact O-N 3.32Å
184K93.4Very high93.8Very high22 Ų2249.2 Ų49.210%0.09625%0.251CS..Hα-helixtrans-73.4-31.9179.2-67.1172.6-164.7164.50111.8T178 R179 T181 E182 S188 L204 Y368T178-K184 HydrophobicContact CG2-CD 3.79Å; T178-K184 PolarHBondContact OG1-NZ 2.95Å; R179-K184 WeakPolarHBondContact O-CD 3.17Å; R179-K184 PolarHBondContact O-NZ 3.46Å; T181-K184 PolarHBondContact O-N 2.83Å; T181-K184 WeakPolarHBondContact OG1-CB 3.41Å; T181-K184 VanDerWaalsContact OG1-CD 3.29Å; T181-K184 WeakPolarHBondContact OG1-CD 3.42Å; T181-K184 WeakPolarHBondContact OG1-CG 3.44Å; T181-K184 PolarHBondContact OG1-N 3.39Å; E182-K184 PolarHBondContact O-N 3.48Å; K184-S188 VanDerWaalsContact O-CB 3.32Å; K184-S188 WeakPolarHBondContact O-CB 3.46Å; K184-S188 PolarHBondContact O-N 3.3Å; K184-L204 HydrophobicContact CB-CD1 4.28Å; K184-L204 HydrophobicContact CB-CD2 4.27Å; K184-Y368 HydrophobicContact CB-CD1 4.21Å
185H95.9Very high93.7Very high23 Ų2354 Ų5411%0.10627%0.272CS..Hα-helixtrans-63.5-49.8175.1177.2-95.2000110.9F180 T181 E182 I187 S188 M189 L200 K201 L204F180-H185 HydrophobicContact CD2-CB 4.5Å; F180-H185 HydrophobicContact CE1-CB 4.4Å; F180-H185 HydrophobicContact CE2-CB 3.7Å; F180-H185 AromaticContact CE2-CD2 3.45Å; F180-H185 VanDerWaalsContact CE2-CD2 3.45Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.48Å; F180-H185 AromaticContact CE2-CG 3.75Å; F180-H185 HydrophobicContact CZ-CB 3.62Å; F180-H185 AromaticContact CZ-CD2 3.85Å; F180-H185 AromaticContact CZ-CG 3.74Å; T181-H185 PolarHBondContact O-N 2.83Å; E182-H185 WeakPolarHBondContact O-CB 3.45Å; E182-H185 PolarHBondContact O-N 2.9Å; E182-H185 VanDerWaalsContact O-N 3.14Å; H185-I187 VanDerWaalsContact C-N 3.33Å; H185-I187 PolarHBondContact O-N 3.36Å; H185-S188 CarbonylContact O-C 3.57Å; H185-S188 WeakPolarHBondContact O-CA 3.48Å; H185-S188 VanDerWaalsContact O-CB 3.31Å; H185-S188 WeakPolarHBondContact O-CB 3.48Å; H185-S188 PolarHBondContact O-N 2.79Å; H185-M189 WeakPolarHBondContact O-CG 3.25Å; H185-M189 PolarHBondContact O-N 3.37Å; H185-L200 PolarHBondContact NE2-O 2.86Å; H185-K201 PolarHBondContact NE2-O 2.83Å; H185-L204 VanDerWaalsContact CA-CD2 3.4Å; H185-L204 HydrophobicContact CB-CD2 3.92Å
186Q95.6Very high93.6Very high106 Ų10657 Ų5750%0.49531%0.305SS..Hα-helixtrans-53.8-48.1174.9-68.3171.8300112.3E182 S188 M189 Q190E182-Q186 WeakPolarHBondContact O-CG 3.22Å; E182-Q186 PolarHBondContact O-N 3.15Å; E182-Q186 PolarHBondContact OE1-NE2 2.83Å; E182-Q186 VanDerWaalsContact OE1-NE2 3.14Å; Q186-S188 VanDerWaalsContact C-N 3.33Å; Q186-S188 PolarHBondContact O-N 2.94Å; Q186-M189 PolarHBondContact O-N 2.94Å; Q186-Q190 WeakPolarHBondContact O-CG 3.36Å; Q186-Q190 PolarHBondContact O-N 3.11Å; Q186-Q190 VanDerWaalsContact O-N 3.1Å
187I94.9Very high93.7Very high25 Ų2559.2 Ų59.213%0.12832%0.316CS..Hα-helixtrans-60.4-43.4174.8-68.1169.5000111K183 H185 M189 Q190 V191 Y368K183-I187 HydrophobicContact CG-CD1 4.38Å; K183-I187 WeakPolarHBondContact O-CG1 3.37Å; K183-I187 PolarHBondContact O-N 3.32Å; H185-I187 VanDerWaalsContact C-N 3.33Å; H185-I187 PolarHBondContact O-N 3.36Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.36Å; I187-Q190 PolarHBondContact O-N 3.01Å; I187-V191 WeakPolarHBondContact O-CG2 3.43Å; I187-V191 PolarHBondContact O-N 3.3Å; I187-V191 VanDerWaalsContact O-N 3.08Å; I187-Y368 HydrophobicContact CB-CD1 4.4Å; I187-Y368 WeakPolarHBondContact CD1-O 3.22Å; I187-Y368 HydrophobicContact CG2-CD1 3.93Å; I187-Y368 HydrophobicContact CG2-CE1 4.16Å
188S95.1Very high94Very high0 Ų060.9 Ų60.90%032%0.322CS..Hα-helixtrans-63-35178.5-163.10000112.5K184 H185 Q186 V191 A192 L205 Y368K184-S188 VanDerWaalsContact O-CB 3.32Å; K184-S188 WeakPolarHBondContact O-CB 3.46Å; K184-S188 PolarHBondContact O-N 3.3Å; H185-S188 CarbonylContact O-C 3.57Å; H185-S188 WeakPolarHBondContact O-CA 3.48Å; H185-S188 VanDerWaalsContact O-CB 3.31Å; H185-S188 WeakPolarHBondContact O-CB 3.48Å; H185-S188 PolarHBondContact O-N 2.79Å; Q186-S188 VanDerWaalsContact C-N 3.33Å; Q186-S188 PolarHBondContact O-N 2.94Å; S188-V191 PolarHBondContact O-N 3.38Å; S188-A192 PolarHBondContact O-N 3.27Å; S188-L205 VanDerWaalsContact OG-CB 3.32Å; S188-L205 WeakPolarHBondContact OG-CB 3.35Å; S188-L205 PolarHBondContact OG-N 3.4Å; S188-Y368 PolarHBondContact OG-OH 3.26Å
189M96.6Very high94.3Very high18 Ų1866 Ų669%0.08934%0.344CS..Hα-helixtrans-72.7-35.8178.6-66.8-51.8108.800112.4H185 Q186 I187 V191 A192 E193 K199 L200H185-M189 WeakPolarHBondContact O-CG 3.25Å; H185-M189 PolarHBondContact O-N 3.37Å; Q186-M189 PolarHBondContact O-N 2.94Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.36Å; M189-V191 VanDerWaalsContact C-N 3.3Å; M189-V191 PolarHBondContact O-N 3.21Å; M189-A192 PolarHBondContact O-N 2.95Å; M189-E193 WeakPolarHBondContact O-CB 3.28Å; M189-E193 PolarHBondContact O-N 2.89Å; M189-K199 HydrophobicContact CB-CG 4.5Å; M189-K199 HydrophobicContact SD-CB 3.65Å; M189-K199 HydrophobicContact SD-CG 3.97Å; M189-L200 HydrophobicContact CE-CB 4.1Å; M189-L200 WeakPolarHBondContact CE-O 3.49Å; M189-L200 PolarHBondContact SD-N 3.44Å
190Q95.6Very high94.7Very high126 Ų12665.7 Ų65.759%0.58934%0.343SS*.Hα-helixtrans-62.7-38.3169.9-67.6172-4.200111.6Q186 I187 S194Q186-Q190 WeakPolarHBondContact O-CG 3.36Å; Q186-Q190 PolarHBondContact O-N 3.11Å; Q186-Q190 VanDerWaalsContact O-N 3.1Å; I187-Q190 PolarHBondContact O-N 3.01Å; Q190-S194 PolarHBondContact O-N 2.59Å; Q190-S194 PolarHBondContact O-OG 3.3Å; Q190-S194 VanDerWaalsContact O-OG 3.11Å
191V94.1Very high94.9Very high46 Ų4668.8 Ų68.828%0.27936%0.357SS..Hα-helixtrans-68.2-39.2174.8174.20000111.5I187 S188 M189 S194 K195 L205I187-V191 WeakPolarHBondContact O-CG2 3.43Å; I187-V191 PolarHBondContact O-N 3.3Å; I187-V191 VanDerWaalsContact O-N 3.08Å; S188-V191 PolarHBondContact O-N 3.38Å; M189-V191 VanDerWaalsContact C-N 3.3Å; M189-V191 PolarHBondContact O-N 3.21Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-OG 3Å; V191-S194 VanDerWaalsContact O-OG 3.09Å; V191-K195 HydrophobicContact CG1-CD 4.09Å; V191-K195 WeakPolarHBondContact O-CB 3.29Å; V191-K195 WeakPolarHBondContact O-CG 3.19Å; V191-K195 PolarHBondContact O-N 3.37Å; V191-L205 HydrophobicContact CG1-CD2 4.34Å
192A94.9Very high95.1Very high0 Ų069 Ų690%035%0.353CS..Hα-helixtrans-60.8-47.7175.600000110.8S188 M189 K195 G196 L197 K199 L205S188-A192 PolarHBondContact O-N 3.27Å; M189-A192 PolarHBondContact O-N 2.95Å; A192-K195 CarbonylContact O-C 3.53Å; A192-K195 PolarHBondContact O-N 3.41Å; A192-G196 PolarHBondContact O-N 3.06Å; A192-G196 VanDerWaalsContact O-N 3.1Å; A192-L197 CarbonylContact C-O 3.57Å; A192-L197 HydrophobicContact CB-CB 4.36Å; A192-L197 PolarHBondContact O-N 2.86Å; A192-K199 HydrophobicContact CB-CG 4.43Å; A192-L205 HydrophobicContact CB-CD1 4.43Å; A192-L205 HydrophobicContact CB-CD2 4.41Å
193E95.3Very high95.3Very high122 Ų12263.4 Ų63.457%0.5733%0.327SS*.Hα-helixtrans-59.8-48177.6-174.8158.9-138.700113M189 K195 G196 K199M189-E193 WeakPolarHBondContact O-CB 3.28Å; M189-E193 PolarHBondContact O-N 2.89Å; E193-K195 PolarHBondContact O-N 3.23Å; E193-K195 VanDerWaalsContact O-N 3.17Å; E193-G196 PolarHBondContact O-N 3.01Å; E193-K199 IonicContact OE1-NZ 2.77Å; E193-K199 PolarHBondContact OE1-NZ 3.23Å; E193-K199 WeakPolarHBondContact OE2-CE 3.38Å; E193-K199 IonicContact OE2-NZ 3.67Å; E193-K199 PolarHBondContact OE2-NZ 2.99Å
194S95.6Very high95.5Very high98 Ų9856.7 Ų56.769%0.68530%0.298SS*.Hα-helixtrans-65.8-19.3179.158.50000113.9Q190 V191Q190-S194 PolarHBondContact O-N 2.59Å; Q190-S194 PolarHBondContact O-OG 3.3Å; Q190-S194 VanDerWaalsContact O-OG 3.11Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-OG 3Å; V191-S194 VanDerWaalsContact O-OG 3.09Å
195K93.4Very high95.7Very high141 Ų14156.3 Ų56.361%0.61330%0.297SS*.THydrogen-bonded Turntrans-99.81.9175.9-68.1-176.1174.1-166.70113.7V191 A192 E193 L197V191-K195 HydrophobicContact CG1-CD 4.09Å; V191-K195 WeakPolarHBondContact O-CB 3.29Å; V191-K195 WeakPolarHBondContact O-CG 3.19Å; V191-K195 PolarHBondContact O-N 3.37Å; A192-K195 CarbonylContact O-C 3.53Å; A192-K195 PolarHBondContact O-N 3.41Å; E193-K195 PolarHBondContact O-N 3.23Å; E193-K195 VanDerWaalsContact O-N 3.17Å; K195-L197 HydrophobicContact CB-CD1 3.9Å; K195-L197 HydrophobicContact CB-CG 4.02Å; K195-L197 HydrophobicContact CD-CD1 4.15Å; K195-L197 PolarHBondContact O-N 2.91Å
196G94.4Very high95.7Very high71 Ų7155.4 Ų55.473%0.73229%0.293SS*.THydrogen-bonded Turntrans63.324.4-174.400000113.8A192 E193A192-G196 PolarHBondContact O-N 3.06Å; A192-G196 VanDerWaalsContact O-N 3.1Å; E193-G196 PolarHBondContact O-N 3.01Å
197L94.8Very high95.6Very high45 Ų4555.6 Ų55.624%0.23629%0.289CS..PPolyproline II helixtrans-93.1148178.7-67.8169.8000110.8A192 K195 K199 L205A192-L197 CarbonylContact C-O 3.57Å; A192-L197 HydrophobicContact CB-CB 4.36Å; A192-L197 PolarHBondContact O-N 2.86Å; K195-L197 HydrophobicContact CB-CD1 3.9Å; K195-L197 HydrophobicContact CB-CG 4.02Å; K195-L197 HydrophobicContact CD-CD1 4.15Å; K195-L197 PolarHBondContact O-N 2.91Å; L197-K199 PolarHBondContact O-N 3.01Å; L197-L205 HydrophobicContact CB-CD1 4.27Å; L197-L205 HydrophobicContact CD1-CD1 4.1Å; L197-L205 HydrophobicContact CD1-CD2 3.72Å; L197-L205 HydrophobicContact CD1-CG 4.44Å
198P95.3Very high95.6Very high63 Ų6356 Ų5641%0.40929%0.293SS..PPolyproline II helixtrans-55.8136.6175.3-26.835.9000112.6Q279P198-Q279 HydrophobicContact CB-CG 4.45Å
199K96.6Very high95.4Very high115 Ų11559.3 Ų59.350%0.531%0.307SS..PPolyproline II helixtrans-74135.6172.6-71-179.1177174.30109.3M189 A192 E193 L197M189-K199 HydrophobicContact CB-CG 4.5Å; M189-K199 HydrophobicContact SD-CB 3.65Å; M189-K199 HydrophobicContact SD-CG 3.97Å; A192-K199 HydrophobicContact CB-CG 4.43Å; E193-K199 IonicContact OE1-NZ 2.77Å; E193-K199 PolarHBondContact OE1-NZ 3.23Å; E193-K199 WeakPolarHBondContact OE2-CE 3.38Å; E193-K199 IonicContact OE2-NZ 3.67Å; E193-K199 PolarHBondContact OE2-NZ 2.99Å; L197-K199 PolarHBondContact O-N 3.01Å
200L97.5Very high95.3Very high10 Ų1059.9 Ų59.95%0.05232%0.318CS..PPolyproline II helixtrans-103.9144.3176.7-55.9179000109.3H185 M189 H203 Y278 Q279 D282H185-L200 PolarHBondContact NE2-O 2.86Å; M189-L200 HydrophobicContact CE-CB 4.1Å; M189-L200 WeakPolarHBondContact CE-O 3.49Å; M189-L200 PolarHBondContact SD-N 3.44Å; L200-H203 WeakPolarHBondContact CB-O 3.1Å; L200-H203 HydrophobicContact CD1-CB 4.25Å; L200-Y278 HydrophobicContact CD1-CD1 4.45Å; L200-Q279 HydrophobicContact CD2-CB 4.47Å; L200-Q279 HydrophobicContact CD2-CG 3.85Å; L200-D282 HydrophobicContact CD2-CB 4.05Å
201K96.8Very high95.3Very high114 Ų11453.9 Ų53.950%0.49629%0.29SS..SBendtrans-92.5-32.3-175.6-174.6172.4171.8-169.90113.4H185 D282 E286H185-K201 PolarHBondContact NE2-O 2.83Å; K201-D282 WeakPolarHBondContact CB-OD2 3.44Å; K201-D282 VanDerWaalsContact N-CG 3.27Å; K201-D282 PolarHBondContact N-OD1 2.81Å; K201-D282 PolarHBondContact N-OD2 3.04Å; K201-E286 IonicContact NZ-OE1 2.83Å; K201-E286 PolarHBondContact NZ-OE1 3.45Å
202Y96.4Very high95.5Very high46 Ų4652 Ų5218%0.1828%0.278CS..SBendtrans-122.6-10.1-169.9-56-73.9000114.7F180 D282 Q285 E286 N289F180-Y202 WeakPolarHBondContact CE2-O 3.28Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.24Å; Y202-D282 PolarHBondContact N-OD1 2.88Å; Y202-Q285 VanDerWaalsContact CB-CG 3.48Å; Y202-Q285 HydrophobicContact CD1-CG 4.07Å; Y202-Q285 HydrophobicContact CD2-CB 4.04Å; Y202-Q285 HydrophobicContact CD2-CG 4.07Å; Y202-Q285 HydrophobicContact CG-CB 4.05Å; Y202-Q285 HydrophobicContact CG-CG 3.6Å; Y202-E286 HydrophobicContact CD2-CB 4.39Å; Y202-E286 HydrophobicContact CE2-CB 3.57Å; Y202-E286 HydrophobicContact CE2-CG 3.93Å; Y202-N289 WeakPolarHBondContact CE1-ND2 3.49Å
203H96.9Very high95.5Very high0 Ų052 Ų520%028%0.278CS..SBendtrans-124.1157.9177.6-59.4-75.4000111.7L200 Y278 K281 D282L200-H203 WeakPolarHBondContact CB-O 3.1Å; L200-H203 HydrophobicContact CD1-CB 4.25Å; H203-Y278 HydrophobicContact CB-CD1 4.02Å; H203-Y278 HydrophobicContact CB-CE1 4.33Å; H203-K281 PolarHBondContact NE2-O 3.07Å; H203-K281 VanDerWaalsContact NE2-O 3.12Å; H203-D282 IonicContact CD2-OD1 3.41Å; H203-D282 PolarHBondContact N-OD1 3.36Å
204L97Very high95.5Very high0 Ų046.2 Ų46.20%025%0.251CS..PPolyproline II helixtrans-75.7156.3164.4-53.3-177000110.3E176 T178 F180 K184 H185E176-L204 HydrophobicContact CB-CB 4.04Å; E176-L204 HydrophobicContact CB-CD1 4.4Å; E176-L204 HydrophobicContact CG-CB 4.03Å; E176-L204 WeakPolarHBondContact OE2-CB 3.42Å; E176-L204 WeakPolarHBondContact OE2-CG 3.44Å; E176-L204 PolarHBondContact OE2-N 3.07Å; T178-L204 HydrophobicContact CG2-CD1 3.55Å; F180-L204 HydrophobicContact CD2-CD2 3.96Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.3Å; K184-L204 HydrophobicContact CB-CD1 4.28Å; K184-L204 HydrophobicContact CB-CD2 4.27Å; H185-L204 VanDerWaalsContact CA-CD2 3.4Å; H185-L204 HydrophobicContact CB-CD2 3.92Å
205L96.4Very high95.6Very high13 Ų1342.3 Ų42.37%0.06822%0.222CC..PPolyproline II helixtrans-63.7128.2173.7-172.575.9000109.2S188 V191 A192 L197S188-L205 VanDerWaalsContact OG-CB 3.32Å; S188-L205 WeakPolarHBondContact OG-CB 3.35Å; S188-L205 PolarHBondContact OG-N 3.4Å; V191-L205 HydrophobicContact CG1-CD2 4.34Å; A192-L205 HydrophobicContact CB-CD1 4.43Å; A192-L205 HydrophobicContact CB-CD2 4.41Å; L197-L205 HydrophobicContact CB-CD1 4.27Å; L197-L205 HydrophobicContact CD1-CD1 4.1Å; L197-L205 HydrophobicContact CD1-CD2 3.72Å; L197-L205 HydrophobicContact CD1-CG 4.44Å
206P96.1Very high95.7Very high5 Ų541.6 Ų41.63%0.03222%0.221CC..PPolyproline II helixtrans-68.5142.4-177.928.8-36.2000111.6C175 L274 Y278C175-P206 HydrophobicContact CB-CB 3.99Å; P206-L274 HydrophobicContact CB-CD2 3.89Å; P206-L274 HydrophobicContact CB-CG 3.99Å; P206-L274 HydrophobicContact CG-CD2 4.46Å; P206-L274 HydrophobicContact CG-CG 4.2Å; P206-Y278 HydrophobicContact CB-CD1 4.32Å; P206-Y278 HydrophobicContact CB-CD2 3.53Å; P206-Y278 HydrophobicContact CB-CE1 4.41Å; P206-Y278 HydrophobicContact CB-CE2 3.61Å; P206-Y278 HydrophobicContact CB-CG 3.9Å; P206-Y278 HydrophobicContact CG-CD1 4.32Å; P206-Y278 HydrophobicContact CG-CD2 3.58Å; P206-Y278 HydrophobicContact CG-CE2 4.2Å; P206-Y278 HydrophobicContact CG-CG 3.63Å
207R93.3Very high95.7Very high110 Ų11038.7 Ų38.742%0.41519%0.189SC..  trans-88.4114.4168-59.8-177.1178.4-154.9-3108.5C175 Y368C175-R207 WeakPolarHBondContact O-CB 3.13Å; C175-R207 PolarHBondContact O-N 3.47Å; R207-Y368 VanDerWaalsContact NH2-CE2 3.31Å
208T94.8Very high95.8Very high33 Ų3336.5 Ų36.520%0.20218%0.178CC..Hα-helixtrans-77.9-35.6-169.853.70000113.3G210 F211 T212 A271 L274 H275T208-G210 VanDerWaalsContact C-N 3.3Å; T208-G210 PolarHBondContact O-N 2.82Å; T208-G210 VanDerWaalsContact O-N 3.12Å; T208-F211 WeakPolarHBondContact O-CA 3.49Å; T208-F211 WeakPolarHBondContact O-CB 3.49Å; T208-F211 PolarHBondContact O-N 3.42Å; T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 PolarHBondContact O-OG1 2.88Å; T208-A271 HydrophobicContact CG2-CB 3.63Å; T208-L274 HydrophobicContact CG2-CD2 3.99Å; T208-H275 WeakPolarHBondContact CG2-NE2 3.37Å
209K92.6Very high95.6Very high69 Ų6938.5 Ų38.530%0.318%0.18SC..Hα-helixtrans-54.9-40-169.9-16467.8-176177.10114.7W148 T212 T213 E267W148-K209 HydrophobicContact CD2-CG 3.91Å; W148-K209 HydrophobicContact CE3-CG 3.69Å; W148-K209 HydrophobicContact CH2-CD 4.32Å; W148-K209 VanDerWaalsContact CH2-CE 3.47Å; W148-K209 HydrophobicContact CH2-CG 4Å; W148-K209 HydrophobicContact CZ2-CD 4.22Å; W148-K209 HydrophobicContact CZ2-CG 4.22Å; W148-K209 HydrophobicContact CZ3-CG 3.74Å; K209-T212 WeakPolarHBondContact CA-OG1 3.4Å; K209-T212 PolarHBondContact O-OG1 2.95Å; K209-T213 WeakPolarHBondContact O-CB 3.26Å; K209-T213 PolarHBondContact O-N 3.28Å; K209-T213 PolarHBondContact O-OG1 3.05Å; K209-E267 VanDerWaalsContact CD-OE1 3.3Å; K209-E267 WeakPolarHBondContact CD-OE1 3.44Å; K209-E267 WeakPolarHBondContact CE-OE1 3.42Å; K209-E267 VanDerWaalsContact NZ-CD 3.33Å; K209-E267 IonicContact NZ-OE1 3.51Å; K209-E267 PolarHBondContact NZ-OE1 2.85Å; K209-E267 IonicContact NZ-OE2 3.81Å; K209-E267 PolarHBondContact NZ-OE2 3.18Å
210G93.3Very high95.5Very high30 Ų3036.9 Ų36.931%0.30920%0.196SC..Hα-helixtrans-66-41.517800000112.3T208 T214T208-G210 VanDerWaalsContact C-N 3.3Å; T208-G210 PolarHBondContact O-N 2.82Å; T208-G210 VanDerWaalsContact O-N 3.12Å; G210-T214 WeakPolarHBondContact O-CB 3.35Å; G210-T214 PolarHBondContact O-N 3.45Å; G210-T214 VanDerWaalsContact O-N 3.12Å; G210-T214 PolarHBondContact O-OG1 3.05Å
211F96.6Very high95.4Very high1 Ų137.4 Ų37.40%0.00420%0.2CC..Hα-helixtrans-68.7-51.4177174-111.5000111.8I91 I93 L173 T208 T213 T214 M215 V225 I263 C270 W273 L274I91-F211 HydrophobicContact CG2-CD2 4.39Å; I91-F211 HydrophobicContact CG2-CE2 4.38Å; I93-F211 HydrophobicContact CD1-CD2 3.95Å; I93-F211 HydrophobicContact CD1-CE2 3.72Å; I93-F211 HydrophobicContact CD1-CZ 4.27Å; I93-F211 HydrophobicContact CG1-CD2 4.45Å; I93-F211 HydrophobicContact CG1-CE2 4.47Å; L173-F211 HydrophobicContact CD1-CB 4.18Å; L173-F211 HydrophobicContact CD1-CD2 3.91Å; T208-F211 WeakPolarHBondContact O-CA 3.49Å; T208-F211 WeakPolarHBondContact O-CB 3.49Å; T208-F211 PolarHBondContact O-N 3.42Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 2.73Å; F211-T214 PolarHBondContact O-N 3.06Å; F211-T214 VanDerWaalsContact O-N 3.08Å; F211-M215 HydrophobicContact CD1-CG 4.48Å; F211-M215 HydrophobicContact CD2-CG 4.11Å; F211-M215 HydrophobicContact CE1-CG 4.04Å; F211-M215 HydrophobicContact CE2-CG 3.6Å; F211-M215 HydrophobicContact CE2-SD 3.87Å; F211-M215 HydrophobicContact CZ-CG 3.57Å; F211-M215 HydrophobicContact CZ-SD 3.92Å; F211-M215 WeakPolarHBondContact O-CG 3.45Å; F211-M215 PolarHBondContact O-N 2.85Å; F211-V225 HydrophobicContact CE2-CG1 4.47Å; F211-V225 HydrophobicContact CE2-CG2 4.27Å; F211-I263 HydrophobicContact CZ-CG2 4.43Å; F211-C270 WeakPolarHBondContact CE1-SG 3.46Å; F211-W273 AromaticContact CE1-CE3 3.67Å; F211-W273 HydrophobicContact CE1-CE3 3.67Å; F211-W273 AromaticContact CE1-CZ3 3.69Å; F211-W273 HydrophobicContact CE1-CZ3 3.69Å; F211-W273 HydrophobicContact CE2-CZ3 4.26Å; F211-W273 AromaticContact CZ-CE3 3.8Å; F211-W273 HydrophobicContact CZ-CE3 3.8Å; F211-W273 HydrophobicContact CZ-CH2 4.31Å; F211-W273 AromaticContact CZ-CZ3 3.37Å; F211-W273 HydrophobicContact CZ-CZ3 3.37Å; F211-L274 HydrophobicContact CB-CD2 3.87Å; F211-L274 HydrophobicContact CD1-CB 4.02Å; F211-L274 HydrophobicContact CD1-CD1 4.14Å; F211-L274 HydrophobicContact CD1-CD2 3.92Å; F211-L274 HydrophobicContact CD1-CG 4.25Å; F211-L274 HydrophobicContact CE1-CB 4.26Å; F211-L274 HydrophobicContact CE1-CD1 4.45Å; F211-L274 HydrophobicContact CG-CD1 4.31Å; F211-L274 HydrophobicContact CG-CD2 4.11Å
212T96.9Very high95.4Very high6 Ų632.3 Ų32.34%0.03718%0.178CC..Hα-helixtrans-61-42.3-178.959.10000111.8T208 K209 T214 M215 Q216 E267 C270 A271T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 PolarHBondContact O-OG1 2.88Å; K209-T212 WeakPolarHBondContact CA-OG1 3.4Å; K209-T212 PolarHBondContact O-OG1 2.95Å; T212-T214 VanDerWaalsContact C-N 3.34Å; T212-T214 PolarHBondContact O-N 3.23Å; T212-M215 PolarHBondContact O-N 2.77Å; T212-Q216 WeakPolarHBondContact O-CB 3.44Å; T212-Q216 PolarHBondContact O-N 2.76Å; T212-E267 HydrophobicContact CG2-CG 4.21Å; T212-E267 PolarHBondContact OG1-OE1 3.41Å; T212-C270 HydrophobicContact CG2-CB 4.03Å; T212-A271 HydrophobicContact CG2-CB 4.25Å
213T95.3Very high95.5Very high1 Ų133.2 Ų33.21%0.00619%0.189CC..Hα-helixtrans-62.8-40.8174.9-55.30000111.7W148 V155 F156 L159 K209 F211 Q216 C217W148-T213 HydrophobicContact CH2-CG2 4.09Å; W148-T213 VanDerWaalsContact CH2-OG1 3.32Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.46Å; V155-T213 HydrophobicContact CG1-CG2 3.99Å; F156-T213 HydrophobicContact CD2-CG2 4.23Å; F156-T213 HydrophobicContact CE1-CG2 4.12Å; F156-T213 HydrophobicContact CE2-CG2 3.81Å; F156-T213 HydrophobicContact CZ-CG2 3.74Å; L159-T213 HydrophobicContact CD1-CG2 4.09Å; K209-T213 WeakPolarHBondContact O-CB 3.26Å; K209-T213 PolarHBondContact O-N 3.28Å; K209-T213 PolarHBondContact O-OG1 3.05Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 2.73Å; T213-Q216 PolarHBondContact O-N 3.26Å; T213-C217 VanDerWaalsContact O-CB 3.32Å; T213-C217 WeakPolarHBondContact O-CB 3.5Å; T213-C217 PolarHBondContact O-N 2.81Å; T213-C217 PolarHBondContact O-SG 3.14Å
214T96.6Very high95.6Very high0 Ų033.2 Ų33.20%019%0.189CC..Hα-helixtrans-66.8-44.7178.8-55.50000111.3I91 L159 F171 L173 G210 F211 T212 C217 L218I91-T214 HydrophobicContact CD1-CG2 3.62Å; I91-T214 HydrophobicContact CG1-CG2 3.94Å; L159-T214 HydrophobicContact CD2-CG2 4.14Å; F171-T214 HydrophobicContact CD1-CG2 3.88Å; F171-T214 HydrophobicContact CE1-CG2 3.89Å; L173-T214 HydrophobicContact CD1-CG2 4.47Å; G210-T214 WeakPolarHBondContact O-CB 3.35Å; G210-T214 PolarHBondContact O-N 3.45Å; G210-T214 VanDerWaalsContact O-N 3.12Å; G210-T214 PolarHBondContact O-OG1 3.05Å; F211-T214 PolarHBondContact O-N 3.06Å; F211-T214 VanDerWaalsContact O-N 3.08Å; T212-T214 VanDerWaalsContact C-N 3.34Å; T212-T214 PolarHBondContact O-N 3.23Å; T214-C217 PolarHBondContact O-N 3.19Å; T214-L218 HydrophobicContact CG2-CD1 3.77Å; T214-L218 HydrophobicContact CG2-CG 4.34Å; T214-L218 WeakPolarHBondContact O-CB 3.29Å; T214-L218 PolarHBondContact O-N 3.31Å
215M96.9Very high95.7Very high16 Ų1633.2 Ų33.28%0.07919%0.189CC..Hα-helixtrans-57.3-48.8174.3-75-65.2-59.800111.4I91 F211 T212 K219 V225 V260 I263I91-M215 HydrophobicContact CD1-CG 4.15Å; I91-M215 HydrophobicContact CD1-SD 3.54Å; I91-M215 VanDerWaalsContact CD1-SD 3.54Å; F211-M215 HydrophobicContact CD1-CG 4.48Å; F211-M215 HydrophobicContact CD2-CG 4.11Å; F211-M215 HydrophobicContact CE1-CG 4.04Å; F211-M215 HydrophobicContact CE2-CG 3.6Å; F211-M215 HydrophobicContact CE2-SD 3.87Å; F211-M215 HydrophobicContact CZ-CG 3.57Å; F211-M215 HydrophobicContact CZ-SD 3.92Å; F211-M215 WeakPolarHBondContact O-CG 3.45Å; F211-M215 PolarHBondContact O-N 2.85Å; T212-M215 PolarHBondContact O-N 2.77Å; M215-K219 PolarHBondContact O-N 3.31Å; M215-K219 VanDerWaalsContact O-N 3.09Å; M215-V225 HydrophobicContact SD-CG2 3.78Å; M215-V260 HydrophobicContact CE-CB 4.46Å; M215-V260 HydrophobicContact CE-CG1 3.87Å; M215-V260 HydrophobicContact CE-CG2 4.18Å; M215-I263 HydrophobicContact CE-CB 3.96Å; M215-I263 HydrophobicContact CE-CD1 4.04Å; M215-I263 HydrophobicContact CE-CG2 3.83Å; M215-I263 HydrophobicContact SD-CD1 4.44Å
216Q94.9Very high95.8Very high125 Ų12532.7 Ų32.758%0.58419%0.186SC*.Hα-helixtrans-62.7-47.5179.1-174.4-174.99.600111.9T212 T213T212-Q216 WeakPolarHBondContact O-CB 3.44Å; T212-Q216 PolarHBondContact O-N 2.76Å; T213-Q216 PolarHBondContact O-N 3.26Å
217C95.7Very high95.9Very high10 Ų1033 Ų337%0.06819%0.187CC..Hα-helixtrans-70.5-38.6-176.2-67.70000112.3F156 L159 K163 T213 T214 K219F156-C217 WeakPolarHBondContact CD1-SG 3.39Å; F156-C217 VanDerWaalsContact CE1-SG 3.59Å; L159-C217 HydrophobicContact CB-CB 3.57Å; L159-C217 HydrophobicContact CD1-CB 3.91Å; L159-C217 HydrophobicContact CG-CB 4.37Å; K163-C217 WeakPolarHBondContact CE-O 3.31Å; T213-C217 VanDerWaalsContact O-CB 3.32Å; T213-C217 WeakPolarHBondContact O-CB 3.5Å; T213-C217 PolarHBondContact O-N 2.81Å; T213-C217 PolarHBondContact O-SG 3.14Å; T214-C217 PolarHBondContact O-N 3.19Å; C217-K219 VanDerWaalsContact C-N 3.34Å
218L95.9Very high96.1Very high0 Ų028.3 Ų28.30%017%0.171CC..THydrogen-bonded Turntrans-94.59.3-176.7-60-177.6000113.2L159 L162 M169 T214 G220 T221 V222L159-L218 HydrophobicContact CB-CD2 4.47Å; L159-L218 HydrophobicContact CD2-CD1 4.35Å; L159-L218 HydrophobicContact CD2-CG 4.47Å; L159-L218 VanDerWaalsContact O-CD2 3.26Å; L159-L218 WeakPolarHBondContact O-CD2 3.39Å; L162-L218 HydrophobicContact CB-CD2 4.15Å; M169-L218 HydrophobicContact CE-CD1 3.85Å; T214-L218 HydrophobicContact CG2-CD1 3.77Å; T214-L218 HydrophobicContact CG2-CG 4.34Å; T214-L218 WeakPolarHBondContact O-CB 3.29Å; T214-L218 PolarHBondContact O-N 3.31Å; L218-G220 PolarHBondContact O-N 2.73Å; L218-T221 WeakPolarHBondContact O-CA 3.33Å; L218-T221 WeakPolarHBondContact O-CB 3.38Å; L218-T221 PolarHBondContact O-N 3.49Å; L218-V222 HydrophobicContact CB-CG1 3.94Å; L218-V222 HydrophobicContact CB-CG2 3.93Å; L218-V222 HydrophobicContact CD1-CG1 4.05Å; L218-V222 WeakPolarHBondContact O-CG2 3.17Å; L218-V222 PolarHBondContact O-N 2.88Å
219K92.2Very high96.3Very high105 Ų10526.8 Ų26.846%0.45716%0.161SC..BIsolated β-bridgetrans-55.1132.1173.8-172.4171.5-178.4169.40110.3M215 C217 T221 D265M215-K219 PolarHBondContact O-N 3.31Å; M215-K219 VanDerWaalsContact O-N 3.09Å; C217-K219 VanDerWaalsContact C-N 3.34Å; K219-T221 PolarHBondContact O-N 3Å; K219-D265 WeakPolarHBondContact CE-OD1 3.41Å; K219-D265 IonicContact NZ-OD1 2.71Å; K219-D265 PolarHBondContact NZ-OD1 3.01Å; K219-D265 IonicContact NZ-OD2 2.66Å; K219-D265 PolarHBondContact NZ-OD2 2.92Å
220G93Very high96.5Very high81 Ų8123.5 Ų23.584%0.83515%0.147SC*.THydrogen-bonded Turntrans83.5-13.1-174.300000114.7L218L218-G220 PolarHBondContact O-N 2.73Å
221T96.3Very high96.8Very high21 Ų2122.4 Ų22.413%0.12913%0.134CC..THydrogen-bonded Turntrans-101.2-52.2172-56.80000111.2H89 K163 L218 K219H89-T221 HydrophobicContact CB-CG2 4.41Å; H89-T221 WeakPolarHBondContact CB-O 3.47Å; K163-T221 VanDerWaalsContact CA-OG1 3.28Å; K163-T221 WeakPolarHBondContact CA-OG1 3.19Å; K163-T221 WeakPolarHBondContact O-CG2 3.3Å; K163-T221 PolarHBondContact O-OG1 3.32Å; K163-T221 VanDerWaalsContact O-OG1 3.12Å; L218-T221 WeakPolarHBondContact O-CA 3.33Å; L218-T221 WeakPolarHBondContact O-CB 3.38Å; L218-T221 PolarHBondContact O-N 3.49Å; K219-T221 PolarHBondContact O-N 3Å
222V97.4Very high96.8Very high6 Ų622.4 Ų22.44%0.03613%0.134CC..BIsolated β-bridgetrans-81.3139.2177.3-64.90000110.8H89 I91 L218 V260H89-V222 HydrophobicContact CB-CG1 4.05Å; H89-V222 VanDerWaalsContact O-CA 3.31Å; H89-V222 WeakPolarHBondContact O-CA 3.28Å; I91-V222 HydrophobicContact CD1-CG2 4.11Å; I91-V222 HydrophobicContact CG1-CG1 4.21Å; I91-V222 HydrophobicContact CG1-CG2 4.39Å; L218-V222 HydrophobicContact CB-CG1 3.94Å; L218-V222 HydrophobicContact CB-CG2 3.93Å; L218-V222 HydrophobicContact CD1-CG1 4.05Å; L218-V222 WeakPolarHBondContact O-CG2 3.17Å; L218-V222 PolarHBondContact O-N 2.88Å; V222-V260 HydrophobicContact CG2-CG2 4.07Å
223T97.8Very high96.7Very high65 Ų6525 Ų2540%0.39915%0.145SC..  trans-109.3-16.9-178.555.10000112.9E88 H89 V260E88-T223 WeakPolarHBondContact CB-OG1 3.42Å; E88-T223 PolarHBondContact OE2-OG1 3.29Å; H89-T223 PolarHBondContact O-N 3.44Å; T223-V260 PolarHBondContact O-N 3.16Å; T223-V260 VanDerWaalsContact O-N 3.13Å
224A98.3Very high96.5Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-148.4158.2-179.600000113.7V90 I91 Y226 R257 F258V90-A224 VanDerWaalsContact CA-O 3.24Å; V90-A224 WeakPolarHBondContact CA-O 3.22Å; V90-A224 WeakPolarHBondContact CB-O 3.29Å; V90-A224 HydrophobicContact CG1-CB 3.99Å; I91-A224 PolarHBondContact N-O 3.44Å; I91-A224 VanDerWaalsContact N-O 3.11Å; A224-Y226 HydrophobicContact CB-CD1 4.26Å; A224-Y226 HydrophobicContact CB-CE1 3.88Å; A224-R257 HydrophobicContact CB-CG 4.09Å; A224-F258 CarbonylContact C-O 3.19Å; A224-F258 WeakPolarHBondContact CA-O 3.39Å; A224-F258 WeakPolarHBondContact CB-O 3.44Å
225V98.7Very high96.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-108.6126.1162.9179.10000108.8I91 I93 F211 M215 F258 I263 W273I91-V225 HydrophobicContact CB-CG2 4.27Å; I91-V225 CarbonylContact O-C 3.59Å; I91-V225 VanDerWaalsContact O-CA 3.29Å; I91-V225 WeakPolarHBondContact O-CA 3.43Å; I93-V225 HydrophobicContact CD1-CG1 3.69Å; I93-V225 HydrophobicContact CG1-CG1 4.03Å; F211-V225 HydrophobicContact CE2-CG1 4.47Å; F211-V225 HydrophobicContact CE2-CG2 4.27Å; M215-V225 HydrophobicContact SD-CG2 3.78Å; V225-F258 HydrophobicContact CB-CB 4.49Å; V225-F258 PolarHBondContact N-O 3.46Å; V225-F258 PolarHBondContact O-N 2.95Å; V225-I263 HydrophobicContact CB-CD1 3.77Å; V225-I263 HydrophobicContact CG2-CD1 3.25Å; V225-W273 HydrophobicContact CG1-CH2 4.14Å
226Y98.7Very high96.1Very high3 Ų339.2 Ų39.21%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-97.8107.3171.5-66.6-5.9000108.8F85 E88 V90 I91 V92 I93 W170 A224 V255 R257F85-Y226 HydrophobicContact CD1-CD2 4.25Å; F85-Y226 AromaticContact CD1-CE2 3.36Å; F85-Y226 HydrophobicContact CD1-CE2 3.36Å; F85-Y226 AromaticContact CD1-CZ 3.55Å; F85-Y226 WeakPolarHBondContact CD1-OH 3.39Å; F85-Y226 AromaticContact CE1-CD2 3.87Å; F85-Y226 HydrophobicContact CE1-CD2 3.87Å; F85-Y226 HydrophobicContact CE1-CE1 4.31Å; F85-Y226 AromaticContact CE1-CE2 3.4Å; F85-Y226 HydrophobicContact CE1-CE2 3.4Å; F85-Y226 VanDerWaalsContact CE1-CE2 3.4Å; F85-Y226 HydrophobicContact CE1-CG 4.49Å; F85-Y226 AromaticContact CE1-CZ 3.67Å; F85-Y226 HydrophobicContact CG-CE2 4.44Å; E88-Y226 WeakPolarHBondContact CG-OH 2.8Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.29Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.29Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.3Å; E88-Y226 PolarHBondContact OE1-OH 2.91Å; V90-Y226 HydrophobicContact CB-CD1 4.45Å; V90-Y226 HydrophobicContact CB-CD2 4.35Å; V90-Y226 HydrophobicContact CB-CE1 4.4Å; V90-Y226 HydrophobicContact CB-CE2 4.33Å; V90-Y226 HydrophobicContact CB-CG 4.41Å; V90-Y226 HydrophobicContact CG1-CD1 4.32Å; V90-Y226 HydrophobicContact CG1-CD2 4.47Å; V90-Y226 HydrophobicContact CG1-CE1 3.8Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG2-CD2 3.76Å; V90-Y226 HydrophobicContact CG2-CE2 3.83Å; V90-Y226 HydrophobicContact CG2-CG 4.22Å; I91-Y226 PolarHBondContact O-N 3.05Å; V92-Y226 WeakPolarHBondContact CA-O 3.4Å; I93-Y226 PolarHBondContact N-O 3.28Å; W170-Y226 AromaticContact CE2-CE2 3.95Å; W170-Y226 HydrophobicContact CH2-CE2 4.37Å; W170-Y226 HydrophobicContact CZ2-CD2 4.41Å; W170-Y226 AromaticContact CZ2-CE2 3.76Å; W170-Y226 HydrophobicContact CZ2-CE2 3.76Å; A224-Y226 HydrophobicContact CB-CD1 4.26Å; A224-Y226 HydrophobicContact CB-CE1 3.88Å; Y226-V255 HydrophobicContact CG-CG1 4.49Å; Y226-R257 HydrophobicContact CD1-CB 4.08Å; Y226-R257 HydrophobicContact CD1-CG 3.95Å; Y226-R257 HydrophobicContact CE1-CB 4.13Å; Y226-R257 HydrophobicContact CE1-CG 3.67Å
227D98.5Very high96.1Very high11 Ų1139.4 Ų39.46%0.05922%0.223CC..EExtended strand (participates in β ladder)trans-80.5117.8170.2-174.759.9000109.8V255 K256 F258 L277 K281D227-V255 CarbonylContact O-C 3.59Å; D227-V255 WeakPolarHBondContact O-CA 3.46Å; D227-K256 HydrophobicContact CB-CB 4.37Å; D227-K256 PolarHBondContact N-O 3.29Å; D227-K256 PolarHBondContact O-N 3.07Å; D227-F258 HydrophobicContact CB-CD2 4.22Å; D227-F258 HydrophobicContact CB-CE2 3.72Å; D227-L277 HydrophobicContact CB-CD1 4.07Å; D227-L277 HydrophobicContact CB-CD2 4.38Å; D227-L277 VanDerWaalsContact OD1-CD2 3.29Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.09Å; D227-K281 WeakPolarHBondContact OD1-CE 3.29Å; D227-K281 IonicContact OD1-NZ 2.77Å; D227-K281 PolarHBondContact OD1-NZ 2.93Å; D227-K281 IonicContact OD2-NZ 3.77Å; D227-K281 PolarHBondContact OD2-NZ 3.07Å
228V98.4Very high96Very high12 Ų1239 Ų397%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-120.6127.7-176.4-170.60000110.3V92 I93 L94 L253 R254 V255 K281V92-V228 HydrophobicContact CG1-CB 4.5Å; V92-V228 HydrophobicContact CG1-CG2 3.71Å; I93-V228 WeakPolarHBondContact O-CA 3.48Å; I93-V228 PolarHBondContact O-N 2.8Å; I93-V228 VanDerWaalsContact O-O 3.13Å; L94-V228 WeakPolarHBondContact CA-O 3.3Å; L94-V228 HydrophobicContact CD1-CB 3.77Å; L94-V228 HydrophobicContact CD1-CG1 3.54Å; V228-L253 HydrophobicContact CG1-CB 4.33Å; V228-L253 HydrophobicContact CG1-CD2 4.12Å; V228-R254 CarbonylContact C-O 3.53Å; V228-R254 VanDerWaalsContact CA-O 3.27Å; V228-R254 WeakPolarHBondContact CA-O 3.24Å; V228-V255 HydrophobicContact CG1-CG2 4.21Å; V228-V255 HydrophobicContact CG2-CG1 4.2Å; V228-V255 HydrophobicContact CG2-CG2 4.12Å; V228-K281 VanDerWaalsContact C-NZ 3.26Å; V228-K281 PolarHBondContact O-NZ 3.05Å
229T98.2Very high95.9Very high0 Ų040.9 Ų40.90%023%0.232CC..EExtended strand (participates in β ladder)trans-117.5116.3169-56.60000108.5N95 L253 R254 K281 L284 F294N95-T229 WeakPolarHBondContact OD1-CA 3.32Å; T229-L253 WeakPolarHBondContact O-CA 3.09Å; T229-R254 PolarHBondContact N-O 2.88Å; T229-R254 PolarHBondContact O-N 3.35Å; T229-K281 PolarHBondContact OG1-NZ 3.31Å; T229-L284 HydrophobicContact CG2-CD2 4.18Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.84Å; T229-F294 WeakPolarHBondContact O-CE2 3.47Å
230L97.9Very high95.8Very high0 Ų036.8 Ų36.80%022%0.215CC..EExtended strand (participates in β ladder)trans-100133178.1169.667.8000109.7L94 N95 D101 C104 F232 A251 D252 L253L94-L230 HydrophobicContact CD1-CB 3.87Å; N95-L230 PolarHBondContact ND2-O 2.99Å; N95-L230 PolarHBondContact OD1-N 3.3Å; D101-L230 HydrophobicContact CB-CD2 4.02Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.48Å; C104-L230 HydrophobicContact CB-CD1 4.16Å; C104-L230 HydrophobicContact CB-CD2 4.05Å; L230-F232 HydrophobicContact CD1-CE2 4.12Å; L230-F232 HydrophobicContact CD1-CZ 4.22Å; L230-F232 HydrophobicContact CD2-CE2 4.03Å; L230-F232 HydrophobicContact CD2-CZ 4.36Å; L230-F232 HydrophobicContact CG-CE2 4.07Å; L230-A251 HydrophobicContact CD1-CB 3.89Å; L230-D252 WeakPolarHBondContact CA-O 3.03Å; L230-L253 HydrophobicContact CD1-CD1 4.08Å; L230-L253 HydrophobicContact CD1-CD2 4.42Å; L230-L253 HydrophobicContact CD1-CG 3.81Å
231N97.8Very high95.7Very high8 Ų837.2 Ų37.24%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-141.7166.2165.7-158.69.4000111.1F98 D252 Q285 Y288 F294F98-N231 WeakPolarHBondContact CZ-OD1 3.19Å; N231-D252 PolarHBondContact N-O 3.03Å; N231-D252 PolarHBondContact O-N 2.89Å; N231-Q285 PolarHBondContact ND2-NE2 2.91Å; N231-Y288 HydrophobicContact CB-CD1 4.21Å; N231-Y288 HydrophobicContact CB-CE1 3.98Å; N231-Y288 HydrophobicContact CB-CE2 4.34Å; N231-Y288 HydrophobicContact CB-CG 4.45Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.35Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.35Å; N231-F294 HydrophobicContact CB-CE2 4.22Å; N231-F294 HydrophobicContact CB-CZ 3.85Å
232F97Very high95.6Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-114.6138.5176.8-70.2-90.1000110.2F98 I100 L230 Q236 P238 Y249 K250 A251F98-F232 HydrophobicContact CB-CE2 4.06Å; F98-F232 HydrophobicContact CD1-CD2 4.04Å; F98-F232 HydrophobicContact CD1-CE2 4.38Å; F98-F232 AromaticContact CD2-CD2 3.66Å; F98-F232 HydrophobicContact CD2-CD2 3.66Å; F98-F232 AromaticContact CD2-CE2 3.58Å; F98-F232 HydrophobicContact CD2-CE2 3.58Å; F98-F232 HydrophobicContact CE1-CD2 4.1Å; F98-F232 AromaticContact CE2-CD2 3.75Å; F98-F232 HydrophobicContact CE2-CD2 3.75Å; F98-F232 HydrophobicContact CE2-CE2 4.11Å; F98-F232 AromaticContact CG-CD2 3.82Å; F98-F232 HydrophobicContact CG-CD2 3.82Å; F98-F232 AromaticContact CG-CE2 3.74Å; F98-F232 HydrophobicContact CG-CE2 3.74Å; F98-F232 AromaticContact CZ-CD2 3.96Å; F98-F232 HydrophobicContact CZ-CD2 3.96Å; I100-F232 HydrophobicContact CD1-CE1 3.91Å; I100-F232 HydrophobicContact CD1-CZ 3.68Å; I100-F232 HydrophobicContact CG1-CE2 4.45Å; I100-F232 HydrophobicContact CG1-CZ 3.8Å; L230-F232 HydrophobicContact CD1-CE2 4.12Å; L230-F232 HydrophobicContact CD1-CZ 4.22Å; L230-F232 HydrophobicContact CD2-CE2 4.03Å; L230-F232 HydrophobicContact CD2-CZ 4.36Å; L230-F232 HydrophobicContact CG-CE2 4.07Å; F232-Q236 HydrophobicContact CB-CB 4.35Å; F232-Q236 WeakPolarHBondContact CB-O 3.46Å; F232-P238 HydrophobicContact CD1-CG 3.89Å; F232-P238 HydrophobicContact CD2-CG 3.6Å; F232-P238 HydrophobicContact CE1-CB 4.37Å; F232-P238 HydrophobicContact CE1-CG 3.69Å; F232-P238 HydrophobicContact CE2-CG 3.42Å; F232-P238 VanDerWaalsContact CE2-CG 3.42Å; F232-P238 HydrophobicContact CG-CG 3.86Å; F232-P238 HydrophobicContact CZ-CB 4.46Å; F232-P238 HydrophobicContact CZ-CG 3.47Å; F232-P238 VanDerWaalsContact CZ-CG 3.47Å; F232-Y249 HydrophobicContact CD1-CD1 4.34Å; F232-Y249 HydrophobicContact CD1-CG 4.43Å; F232-K250 WeakPolarHBondContact CA-O 3.34Å; F232-A251 HydrophobicContact CD1-CB 4.03Å; F232-A251 HydrophobicContact CE1-CB 3.57Å; F232-A251 HydrophobicContact CZ-CB 4.04Å
233K95.2Very high95.5Very high60 Ų6037.6 Ų37.626%0.26120%0.198SC..G310 helixtrans-59.8154.8177.7-66.4-163.9173.9-166.90111.3N235 Q236 K250 D252 Y288K233-N235 PolarHBondContact O-N 3.29Å; K233-N235 VanDerWaalsContact O-N 3.16Å; K233-Q236 WeakPolarHBondContact O-CB 3.5Å; K233-Q236 WeakPolarHBondContact O-CG 3.49Å; K233-Q236 PolarHBondContact O-N 3.14Å; K233-K250 HydrophobicContact CB-CB 4.15Å; K233-K250 HydrophobicContact CD-CB 4.08Å; K233-K250 HydrophobicContact CD-CD 4.13Å; K233-K250 HydrophobicContact CG-CB 4.05Å; K233-K250 PolarHBondContact N-O 2.93Å; K233-D252 WeakPolarHBondContact CE-OD1 3.49Å; K233-D252 WeakPolarHBondContact CE-OD2 3.32Å; K233-Y288 WeakPolarHBondContact CG-OH 3.43Å
234D92.1Very high95.2Very high136 Ų13635.2 Ų35.273%0.72718%0.184SC*.G310 helixtrans58.128.1176-45.2-45.7000113.5Q236D234-Q236 HydrophobicContact CB-CG 4.34Å; D234-Q236 PolarHBondContact O-N 3.1Å; D234-Q236 VanDerWaalsContact O-N 3.12Å
235N89.9Confident94.9Very high119 Ų11937.8 Ų37.864%0.63620%0.198SC*.G310 helixtrans53.430.2-177.8-60.5-41.2000113.7K233K233-N235 PolarHBondContact O-N 3.29Å; K233-N235 VanDerWaalsContact O-N 3.16Å
236Q94.4Very high94.7Very high62 Ų6238.5 Ų38.529%0.2920%0.204SC..  trans-69.5138.9179.7-70.8-171.2-21.500111.3F232 K233 D234 P238 Y249F232-Q236 HydrophobicContact CB-CB 4.35Å; F232-Q236 WeakPolarHBondContact CB-O 3.46Å; K233-Q236 WeakPolarHBondContact O-CB 3.5Å; K233-Q236 WeakPolarHBondContact O-CG 3.49Å; K233-Q236 PolarHBondContact O-N 3.14Å; D234-Q236 HydrophobicContact CB-CG 4.34Å; D234-Q236 PolarHBondContact O-N 3.1Å; D234-Q236 VanDerWaalsContact O-N 3.12Å; Q236-P238 VanDerWaalsContact O-CD 3.24Å; Q236-P238 WeakPolarHBondContact O-CD 3.46Å; Q236-Y249 HydrophobicContact CB-CD1 3.94Å; Q236-Y249 HydrophobicContact CB-CE1 3.91Å
237I93.8Very high94.5Very high129 Ų12942.8 Ų42.866%0.66222%0.223SC*.  trans-108.295.9175.1-56174.1000107.5F98F98-I237 HydrophobicContact CD1-CG2 4.4Å
238P94.4Very high94.4Very high0 Ų046.9 Ų46.90%024%0.241CC..  trans-74.3140.7-179.628.2-34.8000112.4F98 I100 F232 Q236 Y249F98-P238 HydrophobicContact CB-CG 4.15Å; F98-P238 HydrophobicContact CD1-CG 4.4Å; F98-P238 HydrophobicContact CG-CG 4.41Å; I100-P238 HydrophobicContact CD1-CB 3.45Å; I100-P238 VanDerWaalsContact CD1-CB 3.45Å; I100-P238 HydrophobicContact CD1-CG 3.68Å; I100-P238 HydrophobicContact CG1-CB 3.72Å; I100-P238 HydrophobicContact CG1-CG 3.57Å; F232-P238 HydrophobicContact CD1-CG 3.89Å; F232-P238 HydrophobicContact CD2-CG 3.6Å; F232-P238 HydrophobicContact CE1-CB 4.37Å; F232-P238 HydrophobicContact CE1-CG 3.69Å; F232-P238 HydrophobicContact CE2-CG 3.42Å; F232-P238 VanDerWaalsContact CE2-CG 3.42Å; F232-P238 HydrophobicContact CG-CG 3.86Å; F232-P238 HydrophobicContact CZ-CB 4.46Å; F232-P238 HydrophobicContact CZ-CG 3.47Å; F232-P238 VanDerWaalsContact CZ-CG 3.47Å; Q236-P238 VanDerWaalsContact O-CD 3.24Å; Q236-P238 WeakPolarHBondContact O-CD 3.46Å; P238-Y249 HydrophobicContact CB-CD1 3.79Å; P238-Y249 HydrophobicContact CB-CD2 4.01Å; P238-Y249 HydrophobicContact CB-CE1 3.64Å; P238-Y249 HydrophobicContact CB-CE2 3.89Å; P238-Y249 HydrophobicContact CB-CG 3.97Å; P238-Y249 HydrophobicContact CG-CD1 4.45Å
239T92.8Very high94.4Very high40 Ų4046.4 Ų46.425%0.24524%0.238CC..  trans-112.6159.117069.50000110.7E99 L241 D242 I243E99-T239 WeakPolarHBondContact OE2-CB 3.4Å; T239-L241 PolarHBondContact O-N 3.26Å; T239-D242 WeakPolarHBondContact CB-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.17Å; T239-D242 WeakPolarHBondContact O-CB 3.11Å; T239-D242 PolarHBondContact O-N 3.41Å; T239-D242 PolarHBondContact OG1-N 3.43Å; T239-D242 PolarHBondContact OG1-OD2 2.84Å; T239-I243 PolarHBondContact O-N 3.25Å
240L90.8Very high94.3Very high20 Ų2050.9 Ų50.911%0.10526%0.257CS..Hα-helixtrans-63.2-34.1173.5-174.962000111.4E99 I100 L103 D242 I243 V244 I356 T359E99-L240 PolarHBondContact OE2-N 2.8Å; I100-L240 HydrophobicContact CG2-CB 4.41Å; L103-L240 HydrophobicContact CD2-CD1 4.37Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.41Å; L240-I243 WeakPolarHBondContact O-CB 3.25Å; L240-I243 PolarHBondContact O-N 2.86Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.77Å; L240-I356 HydrophobicContact CD2-CG2 4.49Å; L240-T359 HydrophobicContact CD2-CG2 4.08Å; L240-T359 WeakPolarHBondContact CD2-OG1 2.9Å
241L90.6Very high94.3Very high89 Ų8950.9 Ų50.947%0.46626%0.257SS..Hα-helixtrans-64.2-37.8177.2-178.860.5000112T239 I243 V244 N245T239-L241 PolarHBondContact O-N 3.26Å; L241-I243 VanDerWaalsContact C-N 3.3Å; L241-I243 PolarHBondContact O-N 2.86Å; L241-V244 PolarHBondContact O-N 3.28Å; L241-N245 PolarHBondContact O-N 2.88Å; L241-N245 PolarHBondContact O-ND2 3.41Å
242D94.1Very high94.3Very high35 Ų3550.5 Ų50.519%0.18726%0.255CS..Hα-helixtrans-59.5-43173.8-72.5-55.6000111.4T239 L240 N245 G246 K247 Y249T239-D242 WeakPolarHBondContact CB-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.17Å; T239-D242 WeakPolarHBondContact O-CB 3.11Å; T239-D242 PolarHBondContact O-N 3.41Å; T239-D242 PolarHBondContact OG1-N 3.43Å; T239-D242 PolarHBondContact OG1-OD2 2.84Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.41Å; D242-N245 CarbonylContact O-C 3.57Å; D242-N245 PolarHBondContact O-N 2.87Å; D242-G246 PolarHBondContact O-N 3.14Å; D242-K247 HydrophobicContact CB-CB 4.05Å; D242-K247 HydrophobicContact CB-CD 4.02Å; D242-K247 VanDerWaalsContact O-CB 3.31Å; D242-K247 WeakPolarHBondContact O-CB 3.46Å; D242-K247 PolarHBondContact O-N 3.47Å; D242-K247 WeakPolarHBondContact OD1-CD 3.1Å; D242-K247 IonicContact OD1-NZ 3.5Å; D242-K247 PolarHBondContact OD1-NZ 3.28Å; D242-Y249 HydrophobicContact CB-CE2 3.67Å; D242-Y249 VanDerWaalsContact CB-OH 3.23Å; D242-Y249 WeakPolarHBondContact CB-OH 3.43Å; D242-Y249 PolarHBondContact OD2-OH 3.08Å
243I95.5Very high94.4Very high0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-63.1-43.8176.3-58.1-51.2000110.9M64 L65 W68 I100 T239 L240 L241 N245 G246 Y249M64-I243 HydrophobicContact CB-CG2 4.34Å; L65-I243 HydrophobicContact CD1-CD1 3.68Å; L65-I243 HydrophobicContact CD1-CG1 4.04Å; L65-I243 HydrophobicContact CD1-CG2 4.3Å; W68-I243 VanDerWaalsContact CD1-O 3.22Å; I100-I243 HydrophobicContact CD1-CD1 4.16Å; I100-I243 HydrophobicContact CD1-CG1 4.26Å; I100-I243 HydrophobicContact CG2-CG1 4.2Å; T239-I243 PolarHBondContact O-N 3.25Å; L240-I243 WeakPolarHBondContact O-CB 3.25Å; L240-I243 PolarHBondContact O-N 2.86Å; L241-I243 VanDerWaalsContact C-N 3.3Å; L241-I243 PolarHBondContact O-N 2.86Å; I243-N245 VanDerWaalsContact C-N 3.27Å; I243-N245 PolarHBondContact O-N 2.75Å; I243-G246 WeakPolarHBondContact O-CA 3.26Å; I243-G246 PolarHBondContact O-N 3.36Å; I243-Y249 HydrophobicContact CD1-CD2 3.71Å; I243-Y249 HydrophobicContact CD1-CE2 4.03Å
244V91.9Very high94.5Very high15 Ų1550.3 Ų50.39%0.09125%0.253CS..Hα-helixtrans-60.6-36.5175.6172.20000111.7Q14 W68 L240 L241 G246Q14-V244 HydrophobicContact CB-CG1 4Å; Q14-V244 HydrophobicContact CG-CG1 3.67Å; W68-V244 PolarHBondContact NE1-O 3.45Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.77Å; L241-V244 PolarHBondContact O-N 3.28Å; V244-G246 PolarHBondContact O-N 2.97Å
245N92Very high94.8Very high55 Ų5544.2 Ų44.229%0.29422%0.22SC..THydrogen-bonded Turntrans-77.11.6173.6-72.3-55.9000113.9Q14 L241 D242 I243Q14-N245 PolarHBondContact NE2-OD1 2.91Å; L241-N245 PolarHBondContact O-N 2.88Å; L241-N245 PolarHBondContact O-ND2 3.41Å; D242-N245 CarbonylContact O-C 3.57Å; D242-N245 PolarHBondContact O-N 2.87Å; I243-N245 VanDerWaalsContact C-N 3.27Å; I243-N245 PolarHBondContact O-N 2.75Å
246G94.6Very high95.2Very high14 Ų1442.1 Ų42.114%0.14421%0.206CC..THydrogen-bonded Turntrans77.718177.200000114.3D242 I243 V244 K248D242-G246 PolarHBondContact O-N 3.14Å; I243-G246 WeakPolarHBondContact O-CA 3.26Å; I243-G246 PolarHBondContact O-N 3.36Å; V244-G246 PolarHBondContact O-N 2.97Å; G246-K248 PolarHBondContact O-N 3.26Å
247K95.3Very high95.4Very high94 Ų9442.5 Ų42.541%0.40921%0.205SC..  trans-73.8123178-176.8173.2169.7-166.50110.5S69 D242 Y249S69-K247 WeakPolarHBondContact CB-O 3.47Å; D242-K247 HydrophobicContact CB-CB 4.05Å; D242-K247 HydrophobicContact CB-CD 4.02Å; D242-K247 VanDerWaalsContact O-CB 3.31Å; D242-K247 WeakPolarHBondContact O-CB 3.46Å; D242-K247 PolarHBondContact O-N 3.47Å; D242-K247 WeakPolarHBondContact OD1-CD 3.1Å; D242-K247 IonicContact OD1-NZ 3.5Å; D242-K247 PolarHBondContact OD1-NZ 3.28Å; K247-Y249 HydrophobicContact CB-CE2 4.17Å; K247-Y249 HydrophobicContact CD-CE2 4.08Å; K247-Y249 WeakPolarHBondContact CD-OH 3.31Å; K247-Y249 WeakPolarHBondContact CE-OH 3.35Å; K247-Y249 HydrophobicContact CG-CE2 3.85Å; K247-Y249 PolarHBondContact NZ-OH 3Å; K247-Y249 WeakPolarHBondContact O-CD2 3.42Å
248K95.9Very high95.6Very high97 Ų9737.7 Ų37.742%0.42218%0.179SC..  trans-76.5137.4178.7179.9172.2-179.9179.50111.2S69 G70 E72 G246S69-K248 VanDerWaalsContact O-CA 3.3Å; S69-K248 WeakPolarHBondContact O-CA 3.09Å; S69-K248 WeakPolarHBondContact O-CB 3.29Å; S69-K248 PolarHBondContact O-N 2.62Å; G70-K248 WeakPolarHBondContact O-CD 3.45Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.48Å; G70-K248 WeakPolarHBondContact O-CG 2.87Å; E72-K248 VanDerWaalsContact CD-CE 3.41Å; E72-K248 WeakPolarHBondContact OE1-CE 3.39Å; E72-K248 IonicContact OE1-NZ 2.65Å; E72-K248 PolarHBondContact OE1-NZ 2.91Å; E72-K248 IonicContact OE2-NZ 3.41Å; E72-K248 PolarHBondContact OE2-NZ 2.64Å; G246-K248 PolarHBondContact O-N 3.26Å
249Y97.4Very high95.7Very high2 Ų239 Ų391%0.00819%0.188CC..  trans-121.6166.5167.9-68.9-90.7000111.5T71 E72 F232 Q236 P238 D242 I243 K247T71-Y249 WeakPolarHBondContact CA-O 3.37Å; T71-Y249 WeakPolarHBondContact CG2-O 3.38Å; T71-Y249 PolarHBondContact OG1-N 2.82Å; E72-Y249 PolarHBondContact N-O 2.88Å; F232-Y249 HydrophobicContact CD1-CD1 4.34Å; F232-Y249 HydrophobicContact CD1-CG 4.43Å; Q236-Y249 HydrophobicContact CB-CD1 3.94Å; Q236-Y249 HydrophobicContact CB-CE1 3.91Å; P238-Y249 HydrophobicContact CB-CD1 3.79Å; P238-Y249 HydrophobicContact CB-CD2 4.01Å; P238-Y249 HydrophobicContact CB-CE1 3.64Å; P238-Y249 HydrophobicContact CB-CE2 3.89Å; P238-Y249 HydrophobicContact CB-CG 3.97Å; P238-Y249 HydrophobicContact CG-CD1 4.45Å; D242-Y249 HydrophobicContact CB-CE2 3.67Å; D242-Y249 VanDerWaalsContact CB-OH 3.23Å; D242-Y249 WeakPolarHBondContact CB-OH 3.43Å; D242-Y249 PolarHBondContact OD2-OH 3.08Å; I243-Y249 HydrophobicContact CD1-CD2 3.71Å; I243-Y249 HydrophobicContact CD1-CE2 4.03Å; K247-Y249 HydrophobicContact CB-CE2 4.17Å; K247-Y249 HydrophobicContact CD-CE2 4.08Å; K247-Y249 WeakPolarHBondContact CD-OH 3.31Å; K247-Y249 WeakPolarHBondContact CE-OH 3.35Å; K247-Y249 HydrophobicContact CG-CE2 3.85Å; K247-Y249 PolarHBondContact NZ-OH 3Å; K247-Y249 WeakPolarHBondContact O-CD2 3.42Å
250K97.5Very high95.9Very high94 Ų9438.1 Ų38.141%0.40918%0.182SC..EExtended strand (participates in β ladder)trans-121103.1169.4-65.8178.4-178.6173.90108.5F232 K233F232-K250 WeakPolarHBondContact CA-O 3.34Å; K233-K250 HydrophobicContact CB-CB 4.15Å; K233-K250 HydrophobicContact CD-CB 4.08Å; K233-K250 HydrophobicContact CD-CD 4.13Å; K233-K250 HydrophobicContact CG-CB 4.05Å; K233-K250 PolarHBondContact N-O 2.93Å
251A97.5Very high96.1Very high0 Ų045.7 Ų45.70%022%0.217CC..EExtended strand (participates in β ladder)trans-89.9131.8176.300000109.8E72 C73 T74 L230 F232 L253E72-A251 PolarHBondContact O-N 3.11Å; C73-A251 CarbonylContact C-O 3.52Å; C73-A251 VanDerWaalsContact CA-O 3.32Å; C73-A251 WeakPolarHBondContact CA-O 3.42Å; C73-A251 HydrophobicContact CB-CB 4.5Å; T74-A251 PolarHBondContact N-O 2.97Å; L230-A251 HydrophobicContact CD1-CB 3.89Å; F232-A251 HydrophobicContact CD1-CB 4.03Å; F232-A251 HydrophobicContact CE1-CB 3.57Å; F232-A251 HydrophobicContact CZ-CB 4.04Å; A251-L253 HydrophobicContact CB-CD1 4.24Å
252D98.1Very high96.3Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-110.8129.5171.2-74.6-10000108.2T74 Y76 L230 N231 K233 Y288 F294T74-D252 VanDerWaalsContact CB-OD1 3.29Å; T74-D252 WeakPolarHBondContact CB-OD1 3.47Å; T74-D252 PolarHBondContact OG1-OD1 3.23Å; Y76-D252 HydrophobicContact CD2-CB 4.18Å; Y76-D252 HydrophobicContact CE2-CB 3.51Å; Y76-D252 PolarHBondContact OH-OD2 3.34Å; L230-D252 WeakPolarHBondContact CA-O 3.03Å; N231-D252 PolarHBondContact N-O 3.03Å; N231-D252 PolarHBondContact O-N 2.89Å; K233-D252 WeakPolarHBondContact CE-OD1 3.49Å; K233-D252 WeakPolarHBondContact CE-OD2 3.32Å; D252-Y288 HydrophobicContact CB-CE2 3.83Å; D252-Y288 WeakPolarHBondContact OD2-CE2 3.36Å; D252-Y288 PolarHBondContact OD2-OH 3.26Å; D252-F294 HydrophobicContact CB-CD2 3.95Å; D252-F294 HydrophobicContact CB-CE2 3.97Å; D252-F294 WeakPolarHBondContact O-CE2 3.25Å
253L98.2Very high96.5Very high4 Ų445.4 Ų45.42%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-122.3111.3178.6-62.890.8000109.3C73 T74 L75 Y76 M108 V228 T229 L230 A251C73-L253 HydrophobicContact CB-CD1 3.98Å; T74-L253 PolarHBondContact O-N 3.45Å; L75-L253 CarbonylContact C-O 3.58Å; L75-L253 WeakPolarHBondContact CA-O 3.34Å; L75-L253 HydrophobicContact CD2-CB 3.98Å; Y76-L253 PolarHBondContact N-O 3.49Å; M108-L253 HydrophobicContact CE-CD1 4.26Å; M108-L253 HydrophobicContact CG-CD2 4.26Å; V228-L253 HydrophobicContact CG1-CB 4.33Å; V228-L253 HydrophobicContact CG1-CD2 4.12Å; T229-L253 WeakPolarHBondContact O-CA 3.09Å; L230-L253 HydrophobicContact CD1-CD1 4.08Å; L230-L253 HydrophobicContact CD1-CD2 4.42Å; L230-L253 HydrophobicContact CD1-CG 3.81Å; A251-L253 HydrophobicContact CB-CD1 4.24Å
254R98.2Very high96.5Very high52 Ų5247.2 Ų47.220%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-80.8123.9166.7-178.776.9-175.479.27.4108.6Y76 V228 T229 L284 F294Y76-R254 WeakPolarHBondContact O-CA 3.35Å; Y76-R254 VanDerWaalsContact O-CD 3.31Å; Y76-R254 WeakPolarHBondContact O-CD 3.34Å; Y76-R254 PolarHBondContact O-NH1 3.08Å; V228-R254 CarbonylContact C-O 3.53Å; V228-R254 VanDerWaalsContact CA-O 3.27Å; V228-R254 WeakPolarHBondContact CA-O 3.24Å; T229-R254 PolarHBondContact N-O 2.88Å; T229-R254 PolarHBondContact O-N 3.35Å; R254-L284 HydrophobicContact CB-CD2 4.01Å; R254-L284 HydrophobicContact CG-CD2 3.8Å; R254-F294 HydrophobicContact CB-CB 4.15Å; R254-F294 HydrophobicContact CB-CD1 4.09Å; R254-F294 HydrophobicContact CB-CD2 3.81Å; R254-F294 HydrophobicContact CB-CE1 4.49Å; R254-F294 HydrophobicContact CB-CE2 4.23Å; R254-F294 HydrophobicContact CB-CG 3.75Å
255V98.4Very high96.6Very high7 Ų752.2 Ų52.24%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-119.8120.2176.3-172.50000110.9L75 Y76 T77 T81 F85 Y226 D227 V228L75-V255 HydrophobicContact CD2-CG2 4.03Å; Y76-V255 PolarHBondContact O-N 3.17Å; T77-V255 VanDerWaalsContact CB-O 3.25Å; T77-V255 WeakPolarHBondContact CB-O 3.36Å; T77-V255 PolarHBondContact OG1-O 3.34Å; T81-V255 HydrophobicContact CG2-CG1 4.45Å; F85-V255 HydrophobicContact CE1-CG1 4.23Å; F85-V255 HydrophobicContact CZ-CB 4.25Å; F85-V255 HydrophobicContact CZ-CG1 3.76Å; F85-V255 HydrophobicContact CZ-CG2 4.5Å; Y226-V255 HydrophobicContact CG-CG1 4.49Å; D227-V255 CarbonylContact O-C 3.59Å; D227-V255 WeakPolarHBondContact O-CA 3.46Å; V228-V255 HydrophobicContact CG1-CG2 4.21Å; V228-V255 HydrophobicContact CG2-CG1 4.2Å; V228-V255 HydrophobicContact CG2-CG2 4.12Å
256K98.1Very high96.8Very high76 Ų7653.5 Ų53.533%0.3326%0.261SS..EExtended strand (participates in β ladder)trans-114.6124.2172.5-176.3177.8174.8-172.60108.9D227 F258 E280D227-K256 HydrophobicContact CB-CB 4.37Å; D227-K256 PolarHBondContact N-O 3.29Å; D227-K256 PolarHBondContact O-N 3.07Å; K256-F258 HydrophobicContact CB-CE2 4.18Å; K256-F258 HydrophobicContact CD-CE1 4.27Å; K256-F258 HydrophobicContact CD-CE2 3.75Å; K256-F258 HydrophobicContact CD-CZ 3.47Å; K256-F258 VanDerWaalsContact CD-CZ 3.47Å; K256-F258 HydrophobicContact CG-CD2 4.38Å; K256-F258 HydrophobicContact CG-CE2 3.73Å; K256-F258 HydrophobicContact CG-CZ 3.92Å; K256-E280 IonicContact NZ-OE2 3.18Å; K256-E280 PolarHBondContact NZ-OE2 3.49Å
257R98.2Very high96.8Very high70 Ų7056.9 Ų56.926%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-90.1133.7176.8177.3176.4-174.7-71.4-2.7110.1T81 E88 A224 Y226T81-R257 HydrophobicContact CG2-CB 3.81Å; E88-R257 IonicContact OE1-CZ 3.6Å; E88-R257 IonicContact OE1-NE 3.6Å; E88-R257 PolarHBondContact OE1-NE 2.97Å; E88-R257 IonicContact OE1-NH2 3.64Å; E88-R257 PolarHBondContact OE1-NH2 3.46Å; E88-R257 IonicContact OE2-CZ 2.68Å; E88-R257 IonicContact OE2-NE 3.7Å; E88-R257 IonicContact OE2-NH2 2.7Å; E88-R257 PolarHBondContact OE2-NH2 3.34Å; A224-R257 HydrophobicContact CB-CG 4.09Å; Y226-R257 HydrophobicContact CD1-CB 4.08Å; Y226-R257 HydrophobicContact CD1-CG 3.95Å; Y226-R257 HydrophobicContact CE1-CB 4.13Å; Y226-R257 HydrophobicContact CE1-CG 3.67Å
258F98.3Very high96.9Very high28 Ų2858 Ų5812%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-117.9135.3169.9-63.8-92.3000108.9A224 V225 D227 K256 I263 W273 L277A224-F258 CarbonylContact C-O 3.19Å; A224-F258 WeakPolarHBondContact CA-O 3.39Å; A224-F258 WeakPolarHBondContact CB-O 3.44Å; V225-F258 HydrophobicContact CB-CB 4.49Å; V225-F258 PolarHBondContact N-O 3.46Å; V225-F258 PolarHBondContact O-N 2.95Å; D227-F258 HydrophobicContact CB-CD2 4.22Å; D227-F258 HydrophobicContact CB-CE2 3.72Å; K256-F258 HydrophobicContact CB-CE2 4.18Å; K256-F258 HydrophobicContact CD-CE1 4.27Å; K256-F258 HydrophobicContact CD-CE2 3.75Å; K256-F258 HydrophobicContact CD-CZ 3.47Å; K256-F258 VanDerWaalsContact CD-CZ 3.47Å; K256-F258 HydrophobicContact CG-CD2 4.38Å; K256-F258 HydrophobicContact CG-CE2 3.73Å; K256-F258 HydrophobicContact CG-CZ 3.92Å; F258-I263 HydrophobicContact CB-CD1 4.38Å; F258-W273 HydrophobicContact CB-CZ2 4.34Å; F258-W273 AromaticContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD2-CH2 4.42Å; F258-W273 HydrophobicContact CD2-CZ2 4.07Å; F258-W273 HydrophobicContact CE1-CZ2 4.21Å; F258-W273 HydrophobicContact CE2-CZ2 4.31Å; F258-W273 AromaticContact CG-CZ2 3.89Å; F258-W273 HydrophobicContact CG-CZ2 3.89Å; F258-W273 HydrophobicContact CZ-CZ2 4.34Å; F258-L277 HydrophobicContact CE2-CD1 3.69Å; F258-L277 HydrophobicContact CZ-CD1 3.7Å
259S97.6Very high96.9Very high26 Ų2658.8 Ų58.818%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-65.2144.2167.6-166.40000108.5E261 D262S259-E261 PolarHBondContact O-N 3.36Å; S259-D262 WeakPolarHBondContact CB-OD2 3.23Å; S259-D262 PolarHBondContact N-OD2 3.17Å; S259-D262 WeakPolarHBondContact O-CB 3.25Å; S259-D262 PolarHBondContact O-N 2.98Å; S259-D262 VanDerWaalsContact O-N 3.08Å
260V96.2Very high97Very high22 Ų2258.8 Ų58.813%0.13329%0.285CS..G310 helixtrans-62-27.3172.1163.20000111.1M215 V222 T223 D262 I263M215-V260 HydrophobicContact CE-CB 4.46Å; M215-V260 HydrophobicContact CE-CG1 3.87Å; M215-V260 HydrophobicContact CE-CG2 4.18Å; V222-V260 HydrophobicContact CG2-CG2 4.07Å; T223-V260 PolarHBondContact O-N 3.16Å; T223-V260 VanDerWaalsContact O-N 3.13Å; V260-D262 PolarHBondContact O-N 2.97Å; V260-I263 PolarHBondContact O-N 3.47Å
261E94.9Very high97Very high179 Ų17954.6 Ų54.684%0.83627%0.268SS*.G310 helixtrans-65.3-23.7175.1-62.2171.5177.100113.2S259 I263S259-E261 PolarHBondContact O-N 3.36Å; E261-I263 VanDerWaalsContact C-N 3.29Å
262D95.4Very high97Very high111 Ų11158.6 Ų58.659%0.59429%0.289SS*.G310 helixtrans-85.7-2.5178.4-56.5-42.8000112.5S259 V260S259-D262 WeakPolarHBondContact CB-OD2 3.23Å; S259-D262 PolarHBondContact N-OD2 3.17Å; S259-D262 WeakPolarHBondContact O-CB 3.25Å; S259-D262 PolarHBondContact O-N 2.98Å; S259-D262 VanDerWaalsContact O-N 3.08Å; V260-D262 PolarHBondContact O-N 2.97Å
263I96.8Very high97Very high7 Ų760.4 Ų60.44%0.03630%0.296CS..SBendtrans-107.2128.1-175.9-57.9177.2000108.5F211 M215 V225 F258 V260 E261 W273F211-I263 HydrophobicContact CZ-CG2 4.43Å; M215-I263 HydrophobicContact CE-CB 3.96Å; M215-I263 HydrophobicContact CE-CD1 4.04Å; M215-I263 HydrophobicContact CE-CG2 3.83Å; M215-I263 HydrophobicContact SD-CD1 4.44Å; V225-I263 HydrophobicContact CB-CD1 3.77Å; V225-I263 HydrophobicContact CG2-CD1 3.25Å; F258-I263 HydrophobicContact CB-CD1 4.38Å; V260-I263 PolarHBondContact O-N 3.47Å; E261-I263 VanDerWaalsContact C-N 3.29Å; I263-W273 HydrophobicContact CD1-CH2 3.8Å; I263-W273 HydrophobicContact CD1-CZ2 3.82Å; I263-W273 HydrophobicContact CD1-CZ3 4.27Å; I263-W273 HydrophobicContact CG1-CD2 4.43Å; I263-W273 HydrophobicContact CG1-CH2 4.32Å; I263-W273 HydrophobicContact CG1-CZ2 3.87Å; I263-W273 HydrophobicContact CG2-CD2 4.2Å; I263-W273 HydrophobicContact CG2-CE3 4.3Å; I263-W273 HydrophobicContact CG2-CG 4.48Å
264P96.6Very high97Very high38 Ų3860.2 Ų60.225%0.24730%0.295CS..  trans-58.6141.3-178.2-24.833.6000113.3E269 C270P264-E269 HydrophobicContact CB-CB 3.43Å; P264-E269 VanDerWaalsContact CB-CB 3.43Å; P264-E269 HydrophobicContact CG-CB 3.94Å; P264-C270 WeakPolarHBondContact O-CB 3.23Å
265D92.8Very high97Very high120 Ų12059 Ų5964%0.64229%0.292SS*.SBendtrans-79-32.3177.2-83.6-38.3000113K219K219-D265 WeakPolarHBondContact CE-OD1 3.41Å; K219-D265 IonicContact NZ-OD1 2.71Å; K219-D265 PolarHBondContact NZ-OD1 3.01Å; K219-D265 IonicContact NZ-OD2 2.66Å; K219-D265 PolarHBondContact NZ-OD2 2.92Å
266D96.3Very high97Very high83 Ų8364.9 Ų64.944%0.44432%0.317SS..SBendtrans-63.8136.2176.6173.9-96.8000110.4Q268 E269 C270D266-Q268 VanDerWaalsContact C-N 3.29Å; D266-Q268 PolarHBondContact O-N 3.1Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.39Å; D266-Q268 VanDerWaalsContact OD1-CB 3.31Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.33Å; D266-Q268 PolarHBondContact OD1-N 2.8Å; D266-E269 HydrophobicContact CB-CB 4.12Å; D266-E269 HydrophobicContact CB-CG 4.1Å; D266-E269 PolarHBondContact O-N 3.37Å; D266-E269 PolarHBondContact OD1-N 3.3Å; D266-C270 WeakPolarHBondContact O-CB 3.46Å; D266-C270 PolarHBondContact O-N 2.72Å
267E95.4Very high97Very high84 Ų8461.5 Ų61.539%0.39330%0.302SS..Hα-helixtrans-60.6-39.9-174.5177.6170.6-171.200111.9K209 T212 A271K209-E267 VanDerWaalsContact CD-OE1 3.3Å; K209-E267 WeakPolarHBondContact CD-OE1 3.44Å; K209-E267 WeakPolarHBondContact CE-OE1 3.42Å; K209-E267 VanDerWaalsContact NZ-CD 3.33Å; K209-E267 IonicContact NZ-OE1 3.51Å; K209-E267 PolarHBondContact NZ-OE1 2.85Å; K209-E267 IonicContact NZ-OE2 3.81Å; K209-E267 PolarHBondContact NZ-OE2 3.18Å; T212-E267 HydrophobicContact CG2-CG 4.21Å; T212-E267 PolarHBondContact OG1-OE1 3.41Å; E267-A271 VanDerWaalsContact O-CB 3.3Å; E267-A271 WeakPolarHBondContact O-CB 3.46Å; E267-A271 PolarHBondContact O-N 3.15Å
268Q96.5Very high97Very high118 Ų11858.1 Ų58.155%0.55129%0.29SS*.Hα-helixtrans-75.4-40.6-177.3-174.858.956.300111.2D266 A271 N272D266-Q268 VanDerWaalsContact C-N 3.29Å; D266-Q268 PolarHBondContact O-N 3.1Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.39Å; D266-Q268 VanDerWaalsContact OD1-CB 3.31Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.33Å; D266-Q268 PolarHBondContact OD1-N 2.8Å; Q268-A271 WeakPolarHBondContact O-CB 3.36Å; Q268-A271 PolarHBondContact O-N 2.92Å; Q268-N272 PolarHBondContact NE2-OD1 2.71Å; Q268-N272 VanDerWaalsContact NE2-OD1 3.15Å; Q268-N272 PolarHBondContact O-N 3.14Å; Q268-N272 PolarHBondContact O-ND2 3.27Å; Q268-N272 PolarHBondContact O-OD1 3.22Å
269E97.6Very high97Very high113 Ų11360.7 Ų60.753%0.52830%0.302SS..Hα-helixtrans-65.5-40.4174.3-65.4-176173.200112P264 D266 A271 N272 W273P264-E269 HydrophobicContact CB-CB 3.43Å; P264-E269 VanDerWaalsContact CB-CB 3.43Å; P264-E269 HydrophobicContact CG-CB 3.94Å; D266-E269 HydrophobicContact CB-CB 4.12Å; D266-E269 HydrophobicContact CB-CG 4.1Å; D266-E269 PolarHBondContact O-N 3.37Å; D266-E269 PolarHBondContact OD1-N 3.3Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 3.4Å; E269-N272 WeakPolarHBondContact O-CB 3.46Å; E269-N272 PolarHBondContact O-N 2.91Å; E269-W273 WeakPolarHBondContact O-CB 3.48Å; E269-W273 PolarHBondContact O-N 3.31Å
270C97.8Very high97Very high3 Ų363.3 Ų63.32%0.0231%0.311CS..Hα-helixtrans-62.6-40.3174.3-168.30000111.6F211 T212 P264 D266 W273 L274F211-C270 WeakPolarHBondContact CE1-SG 3.46Å; T212-C270 HydrophobicContact CG2-CB 4.03Å; P264-C270 WeakPolarHBondContact O-CB 3.23Å; D266-C270 WeakPolarHBondContact O-CB 3.46Å; D266-C270 PolarHBondContact O-N 2.72Å; C270-W273 WeakPolarHBondContact O-CB 3.29Å; C270-W273 PolarHBondContact O-N 3.49Å; C270-L274 PolarHBondContact O-N 2.9Å
271A97.5Very high97.1Very high6 Ų662.3 Ų62.35%0.0531%0.305CS..Hα-helixtrans-62.7-43.3172.800000112.1T208 T212 E267 Q268 E269 W273 L274 H275T208-A271 HydrophobicContact CG2-CB 3.63Å; T212-A271 HydrophobicContact CG2-CB 4.25Å; E267-A271 VanDerWaalsContact O-CB 3.3Å; E267-A271 WeakPolarHBondContact O-CB 3.46Å; E267-A271 PolarHBondContact O-N 3.15Å; Q268-A271 WeakPolarHBondContact O-CB 3.36Å; Q268-A271 PolarHBondContact O-N 2.92Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 3.4Å; A271-W273 VanDerWaalsContact C-N 3.35Å; A271-L274 PolarHBondContact O-N 3.03Å; A271-H275 PolarHBondContact O-CD2 3.31Å; A271-H275 PolarHBondContact O-N 3.31Å
272N97.6Very high97.2Very high83 Ų8354.8 Ų54.844%0.44427%0.27SS..Hα-helixtrans-64.8-39.3176.4-67.9-17.5000111.7Q268 E269 L274 H275 K276Q268-N272 PolarHBondContact NE2-OD1 2.71Å; Q268-N272 VanDerWaalsContact NE2-OD1 3.15Å; Q268-N272 PolarHBondContact O-N 3.14Å; Q268-N272 PolarHBondContact O-ND2 3.27Å; Q268-N272 PolarHBondContact O-OD1 3.22Å; E269-N272 WeakPolarHBondContact O-CB 3.46Å; E269-N272 PolarHBondContact O-N 2.91Å; N272-L274 VanDerWaalsContact C-N 3.33Å; N272-L274 PolarHBondContact O-N 2.85Å; N272-H275 PolarHBondContact O-N 2.88Å; N272-K276 PolarHBondContact O-N 3.22Å
273W98.3Very high97.3Very high38 Ų3852.4 Ų52.414%0.14427%0.266CS..Hα-helixtrans-57.6-45.5172.8178.896000111.3I93 F211 V225 F258 I263 E269 C270 A271 H275 K276 L277I93-W273 HydrophobicContact CD1-CH2 4.49Å; I93-W273 HydrophobicContact CD1-CZ3 4.14Å; F211-W273 AromaticContact CE1-CE3 3.67Å; F211-W273 HydrophobicContact CE1-CE3 3.67Å; F211-W273 AromaticContact CE1-CZ3 3.69Å; F211-W273 HydrophobicContact CE1-CZ3 3.69Å; F211-W273 HydrophobicContact CE2-CZ3 4.26Å; F211-W273 AromaticContact CZ-CE3 3.8Å; F211-W273 HydrophobicContact CZ-CE3 3.8Å; F211-W273 HydrophobicContact CZ-CH2 4.31Å; F211-W273 AromaticContact CZ-CZ3 3.37Å; F211-W273 HydrophobicContact CZ-CZ3 3.37Å; V225-W273 HydrophobicContact CG1-CH2 4.14Å; F258-W273 HydrophobicContact CB-CZ2 4.34Å; F258-W273 AromaticContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD2-CH2 4.42Å; F258-W273 HydrophobicContact CD2-CZ2 4.07Å; F258-W273 HydrophobicContact CE1-CZ2 4.21Å; F258-W273 HydrophobicContact CE2-CZ2 4.31Å; F258-W273 AromaticContact CG-CZ2 3.89Å; F258-W273 HydrophobicContact CG-CZ2 3.89Å; F258-W273 HydrophobicContact CZ-CZ2 4.34Å; I263-W273 HydrophobicContact CD1-CH2 3.8Å; I263-W273 HydrophobicContact CD1-CZ2 3.82Å; I263-W273 HydrophobicContact CD1-CZ3 4.27Å; I263-W273 HydrophobicContact CG1-CD2 4.43Å; I263-W273 HydrophobicContact CG1-CH2 4.32Å; I263-W273 HydrophobicContact CG1-CZ2 3.87Å; I263-W273 HydrophobicContact CG2-CD2 4.2Å; I263-W273 HydrophobicContact CG2-CE3 4.3Å; I263-W273 HydrophobicContact CG2-CG 4.48Å; E269-W273 WeakPolarHBondContact O-CB 3.48Å; E269-W273 PolarHBondContact O-N 3.31Å; C270-W273 WeakPolarHBondContact O-CB 3.29Å; C270-W273 PolarHBondContact O-N 3.49Å; A271-W273 VanDerWaalsContact C-N 3.35Å; W273-H275 PolarHBondContact O-N 3.42Å; W273-K276 PolarHBondContact O-N 3.47Å; W273-L277 HydrophobicContact CH2-CD1 4.31Å; W273-L277 HydrophobicContact CH2-CD2 3.71Å; W273-L277 HydrophobicContact CH2-CG 4.48Å; W273-L277 HydrophobicContact CZ2-CD1 4.38Å; W273-L277 HydrophobicContact CZ3-CD2 3.75Å; W273-L277 WeakPolarHBondContact O-CB 3.48Å; W273-L277 PolarHBondContact O-N 3.36Å
274L98.4Very high97.4Very high0 Ų053.3 Ų53.30%027%0.271CS..Hα-helixtrans-64.5-39.8177.1-174.967.7000112.4I93 C175 P206 T208 F211 C270 A271 N272 K276 L277 Y278I93-L274 HydrophobicContact CD1-CD1 3.81Å; C175-L274 HydrophobicContact CB-CD1 4.42Å; C175-L274 HydrophobicContact CB-CD2 4.09Å; P206-L274 HydrophobicContact CB-CD2 3.89Å; P206-L274 HydrophobicContact CB-CG 3.99Å; P206-L274 HydrophobicContact CG-CD2 4.46Å; P206-L274 HydrophobicContact CG-CG 4.2Å; T208-L274 HydrophobicContact CG2-CD2 3.99Å; F211-L274 HydrophobicContact CB-CD2 3.87Å; F211-L274 HydrophobicContact CD1-CB 4.02Å; F211-L274 HydrophobicContact CD1-CD1 4.14Å; F211-L274 HydrophobicContact CD1-CD2 3.92Å; F211-L274 HydrophobicContact CD1-CG 4.25Å; F211-L274 HydrophobicContact CE1-CB 4.26Å; F211-L274 HydrophobicContact CE1-CD1 4.45Å; F211-L274 HydrophobicContact CG-CD1 4.31Å; F211-L274 HydrophobicContact CG-CD2 4.11Å; C270-L274 PolarHBondContact O-N 2.9Å; A271-L274 PolarHBondContact O-N 3.03Å; N272-L274 VanDerWaalsContact C-N 3.33Å; N272-L274 PolarHBondContact O-N 2.85Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 3.16Å; L274-L277 HydrophobicContact CD1-CD2 4.15Å; L274-L277 WeakPolarHBondContact O-CB 3.49Å; L274-L277 PolarHBondContact O-N 3.25Å; L274-Y278 HydrophobicContact CD1-CD2 4.06Å; L274-Y278 HydrophobicContact CD1-CE2 3.96Å; L274-Y278 HydrophobicContact CG-CD2 4.28Å; L274-Y278 HydrophobicContact CG-CE2 4.44Å; L274-Y278 WeakPolarHBondContact O-CD2 3.42Å; L274-Y278 PolarHBondContact O-N 2.65Å
275H98Very high97.4Very high28 Ų2851.9 Ų51.913%0.1326%0.261CS..Hα-helixtrans-62.5-39.3174.5-76.9-54.8000112.2T208 A271 N272 W273 Q279T208-H275 WeakPolarHBondContact CG2-NE2 3.37Å; A271-H275 PolarHBondContact O-CD2 3.31Å; A271-H275 PolarHBondContact O-N 3.31Å; N272-H275 PolarHBondContact O-N 2.88Å; W273-H275 PolarHBondContact O-N 3.42Å; H275-Q279 WeakPolarHBondContact O-CG 3.47Å; H275-Q279 PolarHBondContact O-N 3.34Å; H275-Q279 PolarHBondContact O-NE2 3.46Å
276K98.1Very high97.6Very high130 Ų13049 Ų4957%0.56524%0.244SC*.Hα-helixtrans-66.7-43.5174.3-174.5179176.2-178.10111.5N272 W273 L274 Y278 Q279 E280N272-K276 PolarHBondContact O-N 3.22Å; W273-K276 PolarHBondContact O-N 3.47Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 3.16Å; K276-Y278 VanDerWaalsContact C-N 3.27Å; K276-Y278 PolarHBondContact O-N 2.93Å; K276-Q279 WeakPolarHBondContact O-CB 3.39Å; K276-Q279 PolarHBondContact O-N 3.25Å; K276-E280 PolarHBondContact O-N 3.09Å
277L98.4Very high97.6Very high4 Ų448 Ų482%0.02124%0.236CC..Hα-helixtrans-55.5-43.3176-172.373.5000111.6I93 D227 F258 W273 L274 Q279 E280 K281I93-L277 HydrophobicContact CD1-CD2 3.71Å; D227-L277 HydrophobicContact CB-CD1 4.07Å; D227-L277 HydrophobicContact CB-CD2 4.38Å; D227-L277 VanDerWaalsContact OD1-CD2 3.29Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.09Å; F258-L277 HydrophobicContact CE2-CD1 3.69Å; F258-L277 HydrophobicContact CZ-CD1 3.7Å; W273-L277 HydrophobicContact CH2-CD1 4.31Å; W273-L277 HydrophobicContact CH2-CD2 3.71Å; W273-L277 HydrophobicContact CH2-CG 4.48Å; W273-L277 HydrophobicContact CZ2-CD1 4.38Å; W273-L277 HydrophobicContact CZ3-CD2 3.75Å; W273-L277 WeakPolarHBondContact O-CB 3.48Å; W273-L277 PolarHBondContact O-N 3.36Å; L274-L277 HydrophobicContact CD1-CD2 4.15Å; L274-L277 WeakPolarHBondContact O-CB 3.49Å; L274-L277 PolarHBondContact O-N 3.25Å; L277-Q279 PolarHBondContact O-N 3Å; L277-E280 WeakPolarHBondContact O-CB 3.39Å; L277-E280 PolarHBondContact O-N 3.5Å; L277-K281 WeakPolarHBondContact O-CG 3.38Å; L277-K281 PolarHBondContact O-N 3.41Å
278Y98.3Very high97.7Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-70-28177.8-93.4-98.2000113.9I93 C175 E176 L200 H203 P206 L274 K276 K281 D282I93-Y278 HydrophobicContact CG2-CE2 4.04Å; C175-Y278 HydrophobicContact CB-CE2 3.79Å; C175-Y278 WeakPolarHBondContact CB-OH 3.45Å; E176-Y278 HydrophobicContact CG-CE1 3.55Å; L200-Y278 HydrophobicContact CD1-CD1 4.45Å; H203-Y278 HydrophobicContact CB-CD1 4.02Å; H203-Y278 HydrophobicContact CB-CE1 4.33Å; P206-Y278 HydrophobicContact CB-CD1 4.32Å; P206-Y278 HydrophobicContact CB-CD2 3.53Å; P206-Y278 HydrophobicContact CB-CE1 4.41Å; P206-Y278 HydrophobicContact CB-CE2 3.61Å; P206-Y278 HydrophobicContact CB-CG 3.9Å; P206-Y278 HydrophobicContact CG-CD1 4.32Å; P206-Y278 HydrophobicContact CG-CD2 3.58Å; P206-Y278 HydrophobicContact CG-CE2 4.2Å; P206-Y278 HydrophobicContact CG-CG 3.63Å; L274-Y278 HydrophobicContact CD1-CD2 4.06Å; L274-Y278 HydrophobicContact CD1-CE2 3.96Å; L274-Y278 HydrophobicContact CG-CD2 4.28Å; L274-Y278 HydrophobicContact CG-CE2 4.44Å; L274-Y278 WeakPolarHBondContact O-CD2 3.42Å; L274-Y278 PolarHBondContact O-N 2.65Å; K276-Y278 VanDerWaalsContact C-N 3.27Å; K276-Y278 PolarHBondContact O-N 2.93Å; Y278-K281 HydrophobicContact CD1-CD 4.34Å; Y278-K281 HydrophobicContact CE1-CD 4.32Å; Y278-K281 HydrophobicContact CG-CD 4.45Å; Y278-K281 PolarHBondContact O-N 2.8Å; Y278-D282 WeakPolarHBondContact O-CB 3.46Å; Y278-D282 PolarHBondContact O-N 3.14Å
279Q98.3Very high97.7Very high81 Ų8141.6 Ų41.638%0.37921%0.208SC..Hα-helixtrans-67.3-42169.4-69.116865.900111.1P198 L200 H275 K276 L277 K281 D282 A283P198-Q279 HydrophobicContact CB-CG 4.45Å; L200-Q279 HydrophobicContact CD2-CB 4.47Å; L200-Q279 HydrophobicContact CD2-CG 3.85Å; H275-Q279 WeakPolarHBondContact O-CG 3.47Å; H275-Q279 PolarHBondContact O-N 3.34Å; H275-Q279 PolarHBondContact O-NE2 3.46Å; K276-Q279 WeakPolarHBondContact O-CB 3.39Å; K276-Q279 PolarHBondContact O-N 3.25Å; L277-Q279 PolarHBondContact O-N 3Å; Q279-K281 VanDerWaalsContact C-N 3.34Å; Q279-K281 PolarHBondContact O-N 3.29Å; Q279-D282 WeakPolarHBondContact O-CB 3.25Å; Q279-D282 PolarHBondContact O-N 2.88Å; Q279-A283 PolarHBondContact O-N 3.41Å
280E97.9Very high97.5Very high81 Ų8143.3 Ų43.338%0.37921%0.214SC..Hα-helixtrans-61.4-42.3173.8-66.9179.1-161.900111.3K256 K276 L277 D282 A283 L284K256-E280 IonicContact NZ-OE2 3.18Å; K256-E280 PolarHBondContact NZ-OE2 3.49Å; K276-E280 PolarHBondContact O-N 3.09Å; L277-E280 WeakPolarHBondContact O-CB 3.39Å; L277-E280 PolarHBondContact O-N 3.5Å; E280-D282 VanDerWaalsContact C-N 3.3Å; E280-D282 PolarHBondContact O-N 3.49Å; E280-A283 PolarHBondContact O-N 3.41Å; E280-L284 VanDerWaalsContact O-CB 3.32Å; E280-L284 WeakPolarHBondContact O-CB 3.47Å; E280-L284 PolarHBondContact O-N 2.98Å
281K97.8Very high97.4Very high2 Ų248 Ų481%0.00924%0.236CC..Hα-helixtrans-61.3-36.7174.1-73.7-172.1171-51.70113.2H203 D227 V228 T229 L277 Y278 Q279 L284 Q285H203-K281 PolarHBondContact NE2-O 3.07Å; H203-K281 VanDerWaalsContact NE2-O 3.12Å; D227-K281 WeakPolarHBondContact OD1-CE 3.29Å; D227-K281 IonicContact OD1-NZ 2.77Å; D227-K281 PolarHBondContact OD1-NZ 2.93Å; D227-K281 IonicContact OD2-NZ 3.77Å; D227-K281 PolarHBondContact OD2-NZ 3.07Å; V228-K281 VanDerWaalsContact C-NZ 3.26Å; V228-K281 PolarHBondContact O-NZ 3.05Å; T229-K281 PolarHBondContact OG1-NZ 3.31Å; L277-K281 WeakPolarHBondContact O-CG 3.38Å; L277-K281 PolarHBondContact O-N 3.41Å; Y278-K281 HydrophobicContact CD1-CD 4.34Å; Y278-K281 HydrophobicContact CE1-CD 4.32Å; Y278-K281 HydrophobicContact CG-CD 4.45Å; Y278-K281 PolarHBondContact O-N 2.8Å; Q279-K281 VanDerWaalsContact C-N 3.34Å; Q279-K281 PolarHBondContact O-N 3.29Å; K281-L284 PolarHBondContact O-N 3.17Å; K281-Q285 WeakPolarHBondContact O-CB 3.35Å; K281-Q285 PolarHBondContact O-N 3.16Å
282D97.8Very high97.3Very high20 Ų2049.7 Ų49.711%0.10725%0.254CS..Hα-helixtrans-68.4-45.8179.9-156.470.4000111.3L200 K201 Y202 H203 Y278 Q279 E280 L284 Q285 E286L200-D282 HydrophobicContact CD2-CB 4.05Å; K201-D282 WeakPolarHBondContact CB-OD2 3.44Å; K201-D282 VanDerWaalsContact N-CG 3.27Å; K201-D282 PolarHBondContact N-OD1 2.81Å; K201-D282 PolarHBondContact N-OD2 3.04Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.24Å; Y202-D282 PolarHBondContact N-OD1 2.88Å; H203-D282 IonicContact CD2-OD1 3.41Å; H203-D282 PolarHBondContact N-OD1 3.36Å; Y278-D282 WeakPolarHBondContact O-CB 3.46Å; Y278-D282 PolarHBondContact O-N 3.14Å; Q279-D282 WeakPolarHBondContact O-CB 3.25Å; Q279-D282 PolarHBondContact O-N 2.88Å; E280-D282 VanDerWaalsContact C-N 3.3Å; E280-D282 PolarHBondContact O-N 3.49Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.42Å; D282-Q285 PolarHBondContact O-N 3.03Å; D282-E286 PolarHBondContact O-N 3.39Å
283A98Very high97.2Very high61 Ų6151 Ų5150%0.50426%0.256SS..Hα-helixtrans-61.3-41.617300000111.9Q279 E280 Q285 E286 Q287Q279-A283 PolarHBondContact O-N 3.41Å; E280-A283 PolarHBondContact O-N 3.41Å; A283-Q285 VanDerWaalsContact C-N 3.32Å; A283-Q285 PolarHBondContact O-N 3.16Å; A283-E286 WeakPolarHBondContact O-CB 3.47Å; A283-E286 PolarHBondContact O-N 2.9Å; A283-Q287 PolarHBondContact O-N 3.41Å
284L97.6Very high97.2Very high26 Ų2649.3 Ų49.314%0.13625%0.249CC..Hα-helixtrans-61.8-39.4176.1-177.870.9000112.1T229 R254 E280 K281 D282 Q287 Y288 F294 P295T229-L284 HydrophobicContact CG2-CD2 4.18Å; R254-L284 HydrophobicContact CB-CD2 4.01Å; R254-L284 HydrophobicContact CG-CD2 3.8Å; E280-L284 VanDerWaalsContact O-CB 3.32Å; E280-L284 WeakPolarHBondContact O-CB 3.47Å; E280-L284 PolarHBondContact O-N 2.98Å; K281-L284 PolarHBondContact O-N 3.17Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.42Å; L284-Q287 PolarHBondContact O-N 2.83Å; L284-Y288 PolarHBondContact O-N 2.96Å; L284-F294 HydrophobicContact CD1-CD1 3.8Å; L284-F294 HydrophobicContact CD1-CE1 4.44Å; L284-F294 HydrophobicContact CD2-CD1 3.99Å; L284-F294 HydrophobicContact CD2-CE1 3.99Å; L284-F294 HydrophobicContact CG-CD1 3.7Å; L284-F294 HydrophobicContact CG-CE1 3.83Å; L284-P295 HydrophobicContact CD1-CG 3.82Å
285Q97.2Very high97Very high8 Ų851.4 Ų51.44%0.03726%0.263CS..Hα-helixtrans-68.6-36.9176.1-174.458.759.800111.5Y202 N231 K281 D282 A283 Q287 Y288 N289Y202-Q285 VanDerWaalsContact CB-CG 3.48Å; Y202-Q285 HydrophobicContact CD1-CG 4.07Å; Y202-Q285 HydrophobicContact CD2-CB 4.04Å; Y202-Q285 HydrophobicContact CD2-CG 4.07Å; Y202-Q285 HydrophobicContact CG-CB 4.05Å; Y202-Q285 HydrophobicContact CG-CG 3.6Å; N231-Q285 PolarHBondContact ND2-NE2 2.91Å; K281-Q285 WeakPolarHBondContact O-CB 3.35Å; K281-Q285 PolarHBondContact O-N 3.16Å; D282-Q285 PolarHBondContact O-N 3.03Å; A283-Q285 VanDerWaalsContact C-N 3.32Å; A283-Q285 PolarHBondContact O-N 3.16Å; Q285-Q287 VanDerWaalsContact C-N 3.34Å; Q285-Y288 PolarHBondContact O-N 3.49Å; Q285-N289 PolarHBondContact NE2-OD1 3.4Å; Q285-N289 PolarHBondContact O-N 3.16Å; Q285-N289 PolarHBondContact O-ND2 3.34Å; Q285-N289 PolarHBondContact O-OD1 2.9Å
286E96.8Very high96.8Very high60 Ų6052.4 Ų52.428%0.2828%0.281SS..Hα-helixtrans-61.1-45.3172-163.8169.9-118.800111.7K201 Y202 D282 A283 N289 K290K201-E286 IonicContact NZ-OE1 2.83Å; K201-E286 PolarHBondContact NZ-OE1 3.45Å; Y202-E286 HydrophobicContact CD2-CB 4.39Å; Y202-E286 HydrophobicContact CE2-CB 3.57Å; Y202-E286 HydrophobicContact CE2-CG 3.93Å; D282-E286 PolarHBondContact O-N 3.39Å; A283-E286 WeakPolarHBondContact O-CB 3.47Å; A283-E286 PolarHBondContact O-N 2.9Å; E286-N289 PolarHBondContact O-N 3.21Å; E286-K290 HydrophobicContact CG-CD 4.46Å; E286-K290 WeakPolarHBondContact O-CG 3.32Å; E286-K290 PolarHBondContact O-N 3.39Å; E286-K290 VanDerWaalsContact O-N 3.17Å; E286-K290 IonicContact OE2-NZ 2.69Å; E286-K290 PolarHBondContact OE2-NZ 3.37Å
287Q96.6Very high96.7Very high62 Ų6249.9 Ų49.929%0.2928%0.278SS..Hα-helixtrans-59.9-46.2176.6-172.9-179.31.900111.1A283 L284 Q285 N289 K290 E291A283-Q287 PolarHBondContact O-N 3.41Å; L284-Q287 PolarHBondContact O-N 2.83Å; Q285-Q287 VanDerWaalsContact C-N 3.34Å; Q287-N289 VanDerWaalsContact C-N 3.29Å; Q287-N289 PolarHBondContact O-N 2.9Å; Q287-K290 PolarHBondContact O-N 3.27Å; Q287-K290 VanDerWaalsContact O-N 3.08Å; Q287-E291 HydrophobicContact CG-CG 4.27Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.31Å; Q287-E291 PolarHBondContact NE2-OE1 3.14Å; Q287-E291 PolarHBondContact O-N 3.17Å
288Y97.1Very high96.6Very high4 Ų453.4 Ų53.42%0.01630%0.3CS..Hα-helixtrans-58.9-41.2177.2-167.6-78.7000112N231 K233 D252 L284 Q285 K290 E291 G292 K293 F294N231-Y288 HydrophobicContact CB-CD1 4.21Å; N231-Y288 HydrophobicContact CB-CE1 3.98Å; N231-Y288 HydrophobicContact CB-CE2 4.34Å; N231-Y288 HydrophobicContact CB-CG 4.45Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.35Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.35Å; K233-Y288 WeakPolarHBondContact CG-OH 3.43Å; D252-Y288 HydrophobicContact CB-CE2 3.83Å; D252-Y288 WeakPolarHBondContact OD2-CE2 3.36Å; D252-Y288 PolarHBondContact OD2-OH 3.26Å; L284-Y288 PolarHBondContact O-N 2.96Å; Q285-Y288 PolarHBondContact O-N 3.49Å; Y288-K290 PolarHBondContact O-N 3.3Å; Y288-E291 PolarHBondContact O-N 3.48Å; Y288-G292 VanDerWaalsContact O-CA 3.29Å; Y288-G292 WeakPolarHBondContact O-CA 3.42Å; Y288-G292 PolarHBondContact O-N 2.92Å; Y288-K293 VanDerWaalsContact CE2-CA 3.48Å; Y288-F294 HydrophobicContact CD2-CB 4.32Å; Y288-F294 AromaticContact CD2-CD1 3.43Å; Y288-F294 HydrophobicContact CD2-CD1 3.43Å; Y288-F294 VanDerWaalsContact CD2-CD1 3.43Å; Y288-F294 AromaticContact CD2-CD2 3.65Å; Y288-F294 HydrophobicContact CD2-CD2 3.65Å; Y288-F294 AromaticContact CD2-CE1 3.43Å; Y288-F294 HydrophobicContact CD2-CE1 3.43Å; Y288-F294 VanDerWaalsContact CD2-CE1 3.43Å; Y288-F294 AromaticContact CD2-CE2 3.66Å; Y288-F294 HydrophobicContact CD2-CE2 3.66Å; Y288-F294 AromaticContact CD2-CG 3.52Å; Y288-F294 HydrophobicContact CD2-CG 3.52Å; Y288-F294 AromaticContact CD2-CZ 3.55Å; Y288-F294 HydrophobicContact CD2-CZ 3.55Å; Y288-F294 HydrophobicContact CE2-CD1 4.3Å; Y288-F294 AromaticContact CE2-CD2 3.66Å; Y288-F294 HydrophobicContact CE2-CD2 3.66Å; Y288-F294 HydrophobicContact CE2-CE1 4.3Å; Y288-F294 AromaticContact CE2-CE2 3.67Å; Y288-F294 HydrophobicContact CE2-CE2 3.67Å; Y288-F294 AromaticContact CE2-CG 3.97Å; Y288-F294 HydrophobicContact CE2-CG 3.97Å; Y288-F294 AromaticContact CE2-CZ 3.99Å; Y288-F294 HydrophobicContact CE2-CZ 3.99Å; Y288-F294 HydrophobicContact CG-CD1 4.2Å; Y288-F294 AromaticContact CG-CE1 3.92Å; Y288-F294 HydrophobicContact CG-CE1 3.92Å; Y288-F294 HydrophobicContact CG-CZ 4.16Å
289N95.6Very high96.5Very high63 Ų6355 Ų5534%0.33731%0.308SS..Hα-helixtrans-65.6-28.8178.7-67.9-15.8000112.7Y202 Q285 E286 Q287Y202-N289 WeakPolarHBondContact CE1-ND2 3.49Å; Q285-N289 PolarHBondContact NE2-OD1 3.4Å; Q285-N289 PolarHBondContact O-N 3.16Å; Q285-N289 PolarHBondContact O-ND2 3.34Å; Q285-N289 PolarHBondContact O-OD1 2.9Å; E286-N289 PolarHBondContact O-N 3.21Å; Q287-N289 VanDerWaalsContact C-N 3.29Å; Q287-N289 PolarHBondContact O-N 2.9Å
290K95.2Very high96.3Very high149 Ų14957 Ų5765%0.64832%0.32SS*.Hα-helixtrans-81.2-42.2176.6-68.6170.8-175.4162.60112.2E286 Q287 Y288E286-K290 HydrophobicContact CG-CD 4.46Å; E286-K290 WeakPolarHBondContact O-CG 3.32Å; E286-K290 PolarHBondContact O-N 3.39Å; E286-K290 VanDerWaalsContact O-N 3.17Å; E286-K290 IonicContact OE2-NZ 2.69Å; E286-K290 PolarHBondContact OE2-NZ 3.37Å; Q287-K290 PolarHBondContact O-N 3.27Å; Q287-K290 VanDerWaalsContact O-N 3.08Å; Y288-K290 PolarHBondContact O-N 3.3Å
291E95.5Very high96Very high102 Ų10253.6 Ų53.648%0.47730%0.304SS..Hα-helixtrans-99.5-16.9-170.2-64.4-177.4-153.900114.4Q287 Y288 K293Q287-E291 HydrophobicContact CG-CG 4.27Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.31Å; Q287-E291 PolarHBondContact NE2-OE1 3.14Å; Q287-E291 PolarHBondContact O-N 3.17Å; Y288-E291 PolarHBondContact O-N 3.48Å; E291-K293 HydrophobicContact CB-CG 4.48Å; E291-K293 PolarHBondContact O-N 2.69Å
292G94.8Very high95.8Very high42 Ų4258.7 Ų58.743%0.43334%0.338SS..SBendtrans72.49.8-175.800000114.9Y288Y288-G292 VanDerWaalsContact O-CA 3.29Å; Y288-G292 WeakPolarHBondContact O-CA 3.42Å; Y288-G292 PolarHBondContact O-N 2.92Å
293K95.6Very high95.7Very high111 Ų11162 Ų6248%0.48335%0.349SS..SBendtrans-155.7161.417863.5179.1-177.8178.60110.8Y76 Y288 E291Y76-K293 HydrophobicContact CE1-CB 4.14Å; Y288-K293 VanDerWaalsContact CE2-CA 3.48Å; E291-K293 HydrophobicContact CB-CG 4.48Å; E291-K293 PolarHBondContact O-N 2.69Å
294F97.5Very high95.6Very high2 Ų262.8 Ų62.81%0.00934%0.339CS..  trans-81.5154.9170.2-68.4-60.8000110.9Y76 T229 N231 D252 R254 L284 Y288Y76-F294 HydrophobicContact CD1-CB 3.76Å; Y76-F294 WeakPolarHBondContact CD1-O 3.49Å; Y76-F294 HydrophobicContact CD2-CB 4.14Å; Y76-F294 HydrophobicContact CD2-CD2 4.03Å; Y76-F294 HydrophobicContact CE1-CB 4.21Å; Y76-F294 WeakPolarHBondContact CE1-O 3.41Å; Y76-F294 HydrophobicContact CE2-CD2 4.35Å; Y76-F294 HydrophobicContact CG-CB 3.7Å; Y76-F294 HydrophobicContact CG-CD2 4.4Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.84Å; T229-F294 WeakPolarHBondContact O-CE2 3.47Å; N231-F294 HydrophobicContact CB-CE2 4.22Å; N231-F294 HydrophobicContact CB-CZ 3.85Å; D252-F294 HydrophobicContact CB-CD2 3.95Å; D252-F294 HydrophobicContact CB-CE2 3.97Å; D252-F294 WeakPolarHBondContact O-CE2 3.25Å; R254-F294 HydrophobicContact CB-CB 4.15Å; R254-F294 HydrophobicContact CB-CD1 4.09Å; R254-F294 HydrophobicContact CB-CD2 3.81Å; R254-F294 HydrophobicContact CB-CE1 4.49Å; R254-F294 HydrophobicContact CB-CE2 4.23Å; R254-F294 HydrophobicContact CB-CG 3.75Å; L284-F294 HydrophobicContact CD1-CD1 3.8Å; L284-F294 HydrophobicContact CD1-CE1 4.44Å; L284-F294 HydrophobicContact CD2-CD1 3.99Å; L284-F294 HydrophobicContact CD2-CE1 3.99Å; L284-F294 HydrophobicContact CG-CD1 3.7Å; L284-F294 HydrophobicContact CG-CE1 3.83Å; Y288-F294 HydrophobicContact CD2-CB 4.32Å; Y288-F294 AromaticContact CD2-CD1 3.43Å; Y288-F294 HydrophobicContact CD2-CD1 3.43Å; Y288-F294 VanDerWaalsContact CD2-CD1 3.43Å; Y288-F294 AromaticContact CD2-CD2 3.65Å; Y288-F294 HydrophobicContact CD2-CD2 3.65Å; Y288-F294 AromaticContact CD2-CE1 3.43Å; Y288-F294 HydrophobicContact CD2-CE1 3.43Å; Y288-F294 VanDerWaalsContact CD2-CE1 3.43Å; Y288-F294 AromaticContact CD2-CE2 3.66Å; Y288-F294 HydrophobicContact CD2-CE2 3.66Å; Y288-F294 AromaticContact CD2-CG 3.52Å; Y288-F294 HydrophobicContact CD2-CG 3.52Å; Y288-F294 AromaticContact CD2-CZ 3.55Å; Y288-F294 HydrophobicContact CD2-CZ 3.55Å; Y288-F294 HydrophobicContact CE2-CD1 4.3Å; Y288-F294 AromaticContact CE2-CD2 3.66Å; Y288-F294 HydrophobicContact CE2-CD2 3.66Å; Y288-F294 HydrophobicContact CE2-CE1 4.3Å; Y288-F294 AromaticContact CE2-CE2 3.67Å; Y288-F294 HydrophobicContact CE2-CE2 3.67Å; Y288-F294 AromaticContact CE2-CG 3.97Å; Y288-F294 HydrophobicContact CE2-CG 3.97Å; Y288-F294 AromaticContact CE2-CZ 3.99Å; Y288-F294 HydrophobicContact CE2-CZ 3.99Å; Y288-F294 HydrophobicContact CG-CD1 4.2Å; Y288-F294 AromaticContact CG-CE1 3.92Å; Y288-F294 HydrophobicContact CG-CE1 3.92Å; Y288-F294 HydrophobicContact CG-CZ 4.16Å
295P95.3Very high95.6Very high43 Ų4364.5 Ų64.528%0.27935%0.352SS..SBendtrans-71.6153.5171.930.8-36.8000112L284L284-P295 HydrophobicContact CD1-CG 3.82Å
296G92.8Very high95.6Very high49 Ų4970.4 Ų70.451%0.50537%0.373SS..SBendtrans104.4177.2172.500000114.8
297P96Very high95.7Very high78 Ų7867.5 Ų67.551%0.50636%0.36SS..  trans-65.2148.2179.723.8-29.5000111.6Y76 T77Y76-P297 WeakPolarHBondContact CA-O 3.22Å; T77-P297 PolarHBondContact N-O 3.03Å; T77-P297 VanDerWaalsContact N-O 3.1Å; T77-P297 WeakPolarHBondContact O-CG 3.08Å
298T97.3Very high95.8Very high78 Ų7867 Ų6748%0.47936%0.359SS..EExtended strand (participates in β ladder)trans-108.6132.5-177.6-620000110.8T74 L75 I300T74-T298 HydrophobicContact CG2-CG2 3.17Å; L75-T298 CarbonylContact O-C 3.49Å; L75-T298 VanDerWaalsContact O-CA 3.31Å; L75-T298 WeakPolarHBondContact O-CA 3.45Å; T298-I300 HydrophobicContact CG2-CG1 4.45Å
299I96.1Very high95.9Very high33 Ų3371 Ų7117%0.16938%0.38CS..EExtended strand (participates in β ladder)trans-127.1129.6176.6-59.1172.7000108.2L75 T77 V82 P301L75-I299 HydrophobicContact CB-CB 4.34Å; L75-I299 WeakPolarHBondContact CB-O 3.23Å; L75-I299 PolarHBondContact N-O 3.19Å; L75-I299 PolarHBondContact O-N 3.04Å; T77-I299 HydrophobicContact CG2-CD1 4.35Å; V82-I299 HydrophobicContact CB-CD1 4.36Å; V82-I299 HydrophobicContact CG2-CD1 3.53Å; I299-P301 VanDerWaalsContact O-CD 3.28Å; I299-P301 WeakPolarHBondContact O-CD 3.27Å
300I94.8Very high96Very high123 Ų12369.2 Ų69.263%0.63137%0.37SS*.  trans-111.891.1174.1-57175.5000107T74 T298T74-I300 HydrophobicContact CG2-CG1 4.43Å; T298-I300 HydrophobicContact CG2-CG1 4.45Å
301P91.4Very high96.2Very high9 Ų963.4 Ų63.46%0.05835%0.345CS..PPolyproline II helixtrans-65.7137.8-179.518.6-23.3000110L75 M108 R111 Y112 I299L75-P301 HydrophobicContact CD1-CG 3.69Å; L75-P301 HydrophobicContact CG-CG 4.21Å; M108-P301 HydrophobicContact SD-CG 4.16Å; R111-P301 HydrophobicContact CB-CB 4.43Å; R111-P301 VanDerWaalsContact CZ-O 3.24Å; R111-P301 PolarHBondContact NE-O 3.42Å; R111-P301 PolarHBondContact NH1-O 2.96Å; Y112-P301 HydrophobicContact CE2-CB 4.38Å; Y112-P301 HydrophobicContact CE2-CG 4.25Å; Y112-P301 WeakPolarHBondContact OH-CB 3.42Å; I299-P301 VanDerWaalsContact O-CD 3.28Å; I299-P301 WeakPolarHBondContact O-CD 3.27Å
302P93.6Very high96.3Very high109 Ų10963 Ų6371%0.70835%0.345SS*.PPolyproline II helixtrans-66.3148.8-173.426.9-34.7000111.7
303R95.2Very high96.5Very high90 Ų9066.5 Ų66.534%0.3435%0.349SS..PPolyproline II helixtrans-66.9135.4171.7-65.8-179.6179.9160.1-0.2109.3E66 W67 G70 T71E66-R303 PolarHBondContact O-NH1 3.06Å; E66-R303 VanDerWaalsContact O-NH1 3.16Å; E66-R303 PolarHBondContact O-NH2 2.93Å; W67-R303 HydrophobicContact CZ2-CB 4.07Å; G70-R303 PolarHBondContact O-NH2 3.21Å; T71-R303 PolarHBondContact O-NH2 3.25Å
304R95.6Very high96.6Very high77 Ų7762.4 Ų62.429%0.29133%0.331SS..PPolyproline II helixtrans-90.2139.3173.2-63.6175.370.3-158.8-2.2109.4E110 W306E110-R304 VanDerWaalsContact O-CD 3.29Å; E110-R304 WeakPolarHBondContact O-CD 3.41Å; E110-R304 PolarHBondContact O-NH1 3.23Å; E110-R304 IonicContact OE1-CZ 3.4Å; E110-R304 IonicContact OE1-NH1 3.79Å; R304-W306 VanDerWaalsContact NH2-CD1 3.28Å; R304-W306 PolarHBondContact O-N 2.75Å
305P97.5Very high96.7Very high63 Ų6362.9 Ų62.941%0.40934%0.335SS..THydrogen-bonded Turntrans-72.9-13.8-17730.2-36.3000113.5T307 L308 I309P305-T307 VanDerWaalsContact C-N 3.33Å; P305-T307 PolarHBondContact O-N 2.97Å; P305-L308 PolarHBondContact O-N 2.69Å; P305-L308 VanDerWaalsContact O-N 3.16Å; P305-I309 HydrophobicContact CB-CD1 4.01Å; P305-I309 HydrophobicContact CG-CD1 4.39Å; P305-I309 WeakPolarHBondContact O-CG1 3.49Å; P305-I309 PolarHBondContact O-N 3.01Å
306W98.1Very high96.8Very high131 Ų13165.1 Ų65.150%0.49635%0.348SS..Hα-helixtrans-61.6-35.3-170.6-53.8119000114Y55 R304 I309 N310Y55-W306 WeakPolarHBondContact OH-CB 3.42Å; R304-W306 VanDerWaalsContact NH2-CD1 3.28Å; R304-W306 PolarHBondContact O-N 2.75Å; W306-I309 HydrophobicContact CE3-CD1 4Å; W306-I309 HydrophobicContact CZ3-CD1 4.16Å; W306-I309 PolarHBondContact O-N 3.46Å; W306-N310 VanDerWaalsContact O-CB 3.22Å; W306-N310 WeakPolarHBondContact O-CB 3.34Å; W306-N310 PolarHBondContact O-N 2.95Å
307T98.3Very high97Very high0 Ų066.7 Ų66.70%034%0.344CS..Hα-helixtrans-64.8-41.7177.359.50000111.6S59 V62 W67 E110 P305 F311S59-T307 WeakPolarHBondContact O-CB 3.34Å; V62-T307 HydrophobicContact CB-CG2 4.18Å; V62-T307 HydrophobicContact CG1-CG2 3.99Å; W67-T307 PolarHBondContact NE1-OG1 2.82Å; W67-T307 VanDerWaalsContact NE1-OG1 3.07Å; E110-T307 HydrophobicContact CG-CG2 3.55Å; P305-T307 VanDerWaalsContact C-N 3.33Å; P305-T307 PolarHBondContact O-N 2.97Å; T307-F311 WeakPolarHBondContact O-CB 3.3Å; T307-F311 PolarHBondContact O-N 3.22Å; T307-F311 VanDerWaalsContact O-N 3.1Å
308L98.4Very high97.1Very high51 Ų5163.9 Ų63.927%0.26732%0.324SS..Hα-helixtrans-68-47.5174.8179.962.2000111.5M63 W67 P305 N310 F311 L312M63-L308 HydrophobicContact CG-CD1 4.36Å; W67-L308 HydrophobicContact CD2-CB 4.08Å; W67-L308 HydrophobicContact CD2-CD2 4.05Å; W67-L308 HydrophobicContact CE3-CD2 3.83Å; W67-L308 HydrophobicContact CG-CB 4.21Å; W67-L308 HydrophobicContact CH2-CD2 4.45Å; W67-L308 HydrophobicContact CZ2-CB 4.48Å; W67-L308 HydrophobicContact CZ3-CD2 4.03Å; P305-L308 PolarHBondContact O-N 2.69Å; P305-L308 VanDerWaalsContact O-N 3.16Å; L308-N310 PolarHBondContact O-N 3.32Å; L308-F311 PolarHBondContact O-N 3.5Å; L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.18Å; L308-L312 HydrophobicContact CG-CD1 4.04Å; L308-L312 HydrophobicContact CG-CG 4.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.3Å
309I98.7Very high97Very high87 Ų8761.5 Ų61.545%0.44631%0.309SS..Hα-helixtrans-59.4-46.6179.3-67.4167.3000110.8P305 W306 F311 L312 F313P305-I309 HydrophobicContact CB-CD1 4.01Å; P305-I309 HydrophobicContact CG-CD1 4.39Å; P305-I309 WeakPolarHBondContact O-CG1 3.49Å; P305-I309 PolarHBondContact O-N 3.01Å; W306-I309 HydrophobicContact CE3-CD1 4Å; W306-I309 HydrophobicContact CZ3-CD1 4.16Å; W306-I309 PolarHBondContact O-N 3.46Å; I309-F311 VanDerWaalsContact C-N 3.35Å; I309-F311 PolarHBondContact O-N 3.44Å; I309-L312 PolarHBondContact O-N 2.9Å; I309-F313 WeakPolarHBondContact O-CB 3.31Å; I309-F313 PolarHBondContact O-N 3.22Å
310N98.7Very high97Very high27 Ų2763.3 Ų63.314%0.14432%0.324CS..Hα-helixtrans-62.1-41.5177.7178.189.9000111.8S56 S59 W306 L308 F313 W314S56-N310 PolarHBondContact O-ND2 3.48Å; S56-N310 PolarHBondContact OG-OD1 3.19Å; S59-N310 PolarHBondContact OG-ND2 2.86Å; W306-N310 VanDerWaalsContact O-CB 3.22Å; W306-N310 WeakPolarHBondContact O-CB 3.34Å; W306-N310 PolarHBondContact O-N 2.95Å; L308-N310 PolarHBondContact O-N 3.32Å; N310-F313 PolarHBondContact O-N 3.12Å; N310-W314 VanDerWaalsContact O-CD1 3.29Å; N310-W314 PolarHBondContact O-N 2.92Å; N310-W314 VanDerWaalsContact O-N 3.14Å
311F98.6Very high97Very high27 Ų2761 Ų6112%0.11832%0.317CS..Hα-helixtrans-64.1-45.7175.6176.6-100.5000111.9M17 V20 Q60 M63 T307 L308 I309 F313 W314 A315M17-F311 HydrophobicContact CG-CE2 4.47Å; M17-F311 HydrophobicContact CG-CZ 3.93Å; V20-F311 HydrophobicContact CB-CE2 4.19Å; V20-F311 HydrophobicContact CG1-CD2 4.17Å; V20-F311 HydrophobicContact CG1-CE2 3.83Å; Q60-F311 HydrophobicContact CG-CD2 4.35Å; M63-F311 HydrophobicContact CB-CB 4.44Å; M63-F311 HydrophobicContact CE-CB 3.91Å; M63-F311 HydrophobicContact CE-CD1 3.59Å; M63-F311 HydrophobicContact CE-CD2 3.36Å; M63-F311 HydrophobicContact CE-CE1 3.92Å; M63-F311 HydrophobicContact CE-CE2 3.7Å; M63-F311 HydrophobicContact CE-CG 3.3Å; M63-F311 HydrophobicContact CE-CZ 3.98Å; M63-F311 HydrophobicContact CG-CB 3.93Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.43Å; M63-F311 HydrophobicContact SD-CD1 4.1Å; M63-F311 HydrophobicContact SD-CG 4.17Å; T307-F311 WeakPolarHBondContact O-CB 3.3Å; T307-F311 PolarHBondContact O-N 3.22Å; T307-F311 VanDerWaalsContact O-N 3.1Å; L308-F311 PolarHBondContact O-N 3.5Å; I309-F311 VanDerWaalsContact C-N 3.35Å; I309-F311 PolarHBondContact O-N 3.44Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.81Å; F311-W314 PolarHBondContact O-N 2.93Å; F311-A315 HydrophobicContact CE1-CB 4.2Å; F311-A315 HydrophobicContact CZ-CB 4.34Å; F311-A315 VanDerWaalsContact O-CB 3.23Å; F311-A315 WeakPolarHBondContact O-CB 3.48Å; F311-A315 PolarHBondContact O-N 3.02Å
312L98.6Very high97Very high92 Ų9262 Ų6248%0.48232%0.322SS..Hα-helixtrans-61.1-40.7178-70.1174.7000111.5L308 I309 A315 T316L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.18Å; L308-L312 HydrophobicContact CG-CD1 4.04Å; L308-L312 HydrophobicContact CG-CG 4.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.3Å; I309-L312 PolarHBondContact O-N 2.9Å; L312-A315 PolarHBondContact O-N 2.9Å; L312-T316 WeakPolarHBondContact O-CB 3.4Å; L312-T316 PolarHBondContact O-N 3.36Å; L312-T316 PolarHBondContact O-OG1 3.18Å
313F98.6Very high96.9Very high116 Ų11661.2 Ų61.251%0.50931%0.311SS..Hα-helixtrans-56.3-53.6173.9170.6-97.8000112.1I309 N310 F311 A315 T316 I317I309-F313 WeakPolarHBondContact O-CB 3.31Å; I309-F313 PolarHBondContact O-N 3.22Å; N310-F313 PolarHBondContact O-N 3.12Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.81Å; F313-A315 PolarHBondContact O-N 3.4Å; F313-T316 PolarHBondContact O-N 2.89Å; F313-I317 HydrophobicContact CD1-CD1 4.18Å; F313-I317 HydrophobicContact CD2-CD1 3.98Å; F313-I317 HydrophobicContact CE1-CD1 3.63Å; F313-I317 HydrophobicContact CE2-CD1 3.41Å; F313-I317 VanDerWaalsContact CE2-CD1 3.41Å; F313-I317 HydrophobicContact CG-CD1 4.35Å; F313-I317 HydrophobicContact CZ-CD1 3.21Å; F313-I317 WeakPolarHBondContact O-CG1 3.47Å; F313-I317 PolarHBondContact O-N 3.45Å; F313-I317 VanDerWaalsContact O-N 3.09Å
314W98.6Very high96.9Very high26 Ų2665 Ų6510%0.09833%0.33CS..Hα-helixtrans-64.5-40.5177.8-78.5116.2000112.4V20 S24 I27 I28 S56 N310 F311 T316 I317 L318V20-W314 HydrophobicContact CG1-CB 3.81Å; S24-W314 VanDerWaalsContact CB-CD2 3.43Å; I27-W314 HydrophobicContact CB-CH2 4.37Å; I27-W314 HydrophobicContact CD1-CZ3 4.04Å; I27-W314 HydrophobicContact CG2-CH2 3.96Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I28-W314 HydrophobicContact CD1-CZ2 3.99Å; I28-W314 HydrophobicContact CG1-CH2 4.45Å; I28-W314 HydrophobicContact CG1-CZ2 3.94Å; S56-W314 PolarHBondContact OG-NE1 3.05Å; N310-W314 VanDerWaalsContact O-CD1 3.29Å; N310-W314 PolarHBondContact O-N 2.92Å; N310-W314 VanDerWaalsContact O-N 3.14Å; F311-W314 PolarHBondContact O-N 2.93Å; W314-T316 PolarHBondContact O-N 3.27Å; W314-I317 PolarHBondContact O-N 3.2Å; W314-L318 HydrophobicContact CE3-CD1 3.95Å; W314-L318 HydrophobicContact CE3-CG 4.24Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.41Å; W314-L318 VanDerWaalsContact O-CG 3.23Å; W314-L318 WeakPolarHBondContact O-CG 3.4Å; W314-L318 PolarHBondContact O-N 3.48Å
315A98.1Very high96.6Very high12 Ų1267.1 Ų67.110%0.09934%0.341CS..Hα-helixtrans-61.7-44.417800000111.3V20 F311 L312 F313 L319V20-A315 HydrophobicContact CG2-CB 4.22Å; F311-A315 HydrophobicContact CE1-CB 4.2Å; F311-A315 HydrophobicContact CZ-CB 4.34Å; F311-A315 VanDerWaalsContact O-CB 3.23Å; F311-A315 WeakPolarHBondContact O-CB 3.48Å; F311-A315 PolarHBondContact O-N 3.02Å; L312-A315 PolarHBondContact O-N 2.9Å; F313-A315 PolarHBondContact O-N 3.4Å; A315-L319 HydrophobicContact CB-CD1 4.19Å; A315-L319 WeakPolarHBondContact O-CA 3.46Å; A315-L319 WeakPolarHBondContact O-CB 3.4Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.32Å; A315-L319 PolarHBondContact O-N 2.92Å
316T97.9Very high96.2Very high89 Ų8965.1 Ų65.155%0.54633%0.33SS..Hα-helixtrans-61.9-51176.1-62.80000111.1L312 F313 W314 L318 S320L312-T316 WeakPolarHBondContact O-CB 3.4Å; L312-T316 PolarHBondContact O-N 3.36Å; L312-T316 PolarHBondContact O-OG1 3.18Å; F313-T316 PolarHBondContact O-N 2.89Å; W314-T316 PolarHBondContact O-N 3.27Å; T316-L318 VanDerWaalsContact C-N 3.31Å; T316-L318 PolarHBondContact O-N 3.05Å; T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 2.64Å; T316-S320 PolarHBondContact O-OG 3.28Å
317I97.9Very high95.9Very high83 Ų8362.3 Ų62.343%0.42633%0.33SS..Hα-helixtrans-61.6-40.1-177.6-70.7175.3000112F313 W314 P321F313-I317 HydrophobicContact CD1-CD1 4.18Å; F313-I317 HydrophobicContact CD2-CD1 3.98Å; F313-I317 HydrophobicContact CE1-CD1 3.63Å; F313-I317 HydrophobicContact CE2-CD1 3.41Å; F313-I317 VanDerWaalsContact CE2-CD1 3.41Å; F313-I317 HydrophobicContact CG-CD1 4.35Å; F313-I317 HydrophobicContact CZ-CD1 3.21Å; F313-I317 WeakPolarHBondContact O-CG1 3.47Å; F313-I317 PolarHBondContact O-N 3.45Å; F313-I317 VanDerWaalsContact O-N 3.09Å; W314-I317 PolarHBondContact O-N 3.2Å; I317-P321 WeakPolarHBondContact O-CD 3.23Å; I317-P321 WeakPolarHBondContact O-CG 3.44Å
318L97Very high95.6Very high18 Ų1864.2 Ų64.29%0.09435%0.349CS..Hα-helixtrans-91.7-36.1-171.5-61.7177000113.2F19 V20 V23 I27 W314 T316 L322F19-L318 HydrophobicContact CE1-CB 4.09Å; V20-L318 HydrophobicContact CG1-CD1 4.4Å; V23-L318 HydrophobicContact CB-CD1 4.12Å; V23-L318 HydrophobicContact CG1-CD1 4.19Å; V23-L318 HydrophobicContact CG1-CD2 3.78Å; I27-L318 HydrophobicContact CD1-CD2 4.03Å; W314-L318 HydrophobicContact CE3-CD1 3.95Å; W314-L318 HydrophobicContact CE3-CG 4.24Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.41Å; W314-L318 VanDerWaalsContact O-CG 3.23Å; W314-L318 WeakPolarHBondContact O-CG 3.4Å; W314-L318 PolarHBondContact O-N 3.48Å; T316-L318 VanDerWaalsContact C-N 3.31Å; T316-L318 PolarHBondContact O-N 3.05Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å
319L95.9Very high95.3Very high29 Ų2962 Ų6215%0.15234%0.338CS..Hα-helixtrans-83.6-32-177-58.1-177.2000112.6L16 F19 V20 A315 L322 I323L16-L319 HydrophobicContact CB-CD1 4.44Å; L16-L319 HydrophobicContact CB-CD2 4.4Å; L16-L319 HydrophobicContact CD2-CD2 3.94Å; F19-L319 HydrophobicContact CD1-CD2 3.79Å; F19-L319 HydrophobicContact CE1-CD2 4.21Å; V20-L319 HydrophobicContact CG2-CD1 4.03Å; V20-L319 HydrophobicContact CG2-CD2 3.79Å; V20-L319 HydrophobicContact CG2-CG 3.78Å; A315-L319 HydrophobicContact CB-CD1 4.19Å; A315-L319 WeakPolarHBondContact O-CA 3.46Å; A315-L319 WeakPolarHBondContact O-CB 3.4Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.32Å; A315-L319 PolarHBondContact O-N 2.92Å; L319-L322 HydrophobicContact CD2-CD2 4.13Å; L319-L322 PolarHBondContact O-N 2.8Å; L319-I323 HydrophobicContact CB-CD1 4.16Å; L319-I323 WeakPolarHBondContact O-CB 3.19Å; L319-I323 WeakPolarHBondContact O-CD1 3.26Å; L319-I323 WeakPolarHBondContact O-CG1 3.35Å; L319-I323 PolarHBondContact O-N 3.02Å
320S95.7Very high94.8Very high71 Ų7162.9 Ų62.950%0.49735%0.347SS..Hα-helixtrans-56.1-51.7177.7-68.70000113.8T316 K324T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 2.64Å; T316-S320 PolarHBondContact O-OG 3.28Å; S320-K324 WeakPolarHBondContact O-CB 3.34Å; S320-K324 PolarHBondContact O-N 3.5Å; S320-K324 VanDerWaalsContact O-N 3.08Å
321P94.7Very high94.5Very high74 Ų7467.7 Ų67.748%0.48138%0.377SS..Hα-helixtrans-68.2-35.617626.3-33.9000112.4I317 K324 F325I317-P321 WeakPolarHBondContact O-CD 3.23Å; I317-P321 WeakPolarHBondContact O-CG 3.44Å; P321-K324 PolarHBondContact O-N 2.92Å; P321-F325 WeakPolarHBondContact O-CB 3.34Å; P321-F325 PolarHBondContact O-N 3.04Å
322L91.5Very high94.2Very high30 Ų3069.2 Ų69.216%0.15739%0.391CS..Hα-helixtrans-62.6-45.7177.6179.166.2000111.6L16 F19 L318 L319 F325 A326 F341L16-L322 HydrophobicContact CD2-CD2 4.27Å; F19-L322 HydrophobicContact CD1-CD2 3.9Å; F19-L322 HydrophobicContact CD2-CD2 4.43Å; F19-L322 HydrophobicContact CE1-CB 4.47Å; F19-L322 HydrophobicContact CE1-CD2 3.71Å; F19-L322 HydrophobicContact CE2-CD2 4.26Å; F19-L322 HydrophobicContact CG-CD2 4.26Å; F19-L322 HydrophobicContact CZ-CD1 4.42Å; F19-L322 HydrophobicContact CZ-CD2 3.9Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L319-L322 HydrophobicContact CD2-CD2 4.13Å; L319-L322 PolarHBondContact O-N 2.8Å; L322-F325 PolarHBondContact O-N 3.43Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3Å; L322-F341 HydrophobicContact CD1-CE2 4.39Å
323I92.2Very high93.8Very high93 Ų9367.4 Ų67.448%0.47739%0.394SS..Hα-helixtrans-64.9-45.1177.9-68.6165.1000109.7L319 F325 A326 C327L319-I323 HydrophobicContact CB-CD1 4.16Å; L319-I323 WeakPolarHBondContact O-CB 3.19Å; L319-I323 WeakPolarHBondContact O-CD1 3.26Å; L319-I323 WeakPolarHBondContact O-CG1 3.35Å; L319-I323 PolarHBondContact O-N 3.02Å; I323-F325 VanDerWaalsContact C-N 3.3Å; I323-F325 PolarHBondContact O-N 3.48Å; I323-A326 PolarHBondContact O-N 3.12Å; I323-C327 WeakPolarHBondContact O-CB 3.5Å; I323-C327 PolarHBondContact O-N 2.97Å; I323-C327 PolarHBondContact O-SG 3.08Å
324K93.8Very high93.5Very high170 Ų17063.7 Ų63.774%0.73938%0.383SS*.Hα-helixtrans-58-44175.9-174.7177.4180179.20111.7S320 P321 G328S320-K324 WeakPolarHBondContact O-CB 3.34Å; S320-K324 PolarHBondContact O-N 3.5Å; S320-K324 VanDerWaalsContact O-N 3.08Å; P321-K324 PolarHBondContact O-N 2.92Å; K324-G328 PolarHBondContact O-N 2.8Å
325F90.7Very high93.2Very high120 Ų12067 Ų6753%0.52641%0.408SS..Hα-helixtrans-63.8-47.7175.9176.7-100.6000111.9P321 L322 I323 C327 G328 V329 F341P321-F325 WeakPolarHBondContact O-CB 3.34Å; P321-F325 PolarHBondContact O-N 3.04Å; L322-F325 PolarHBondContact O-N 3.43Å; I323-F325 VanDerWaalsContact C-N 3.3Å; I323-F325 PolarHBondContact O-N 3.48Å; F325-C327 PolarHBondContact O-N 3.24Å; F325-G328 CarbonylContact O-C 3.58Å; F325-G328 WeakPolarHBondContact O-CA 3.38Å; F325-G328 PolarHBondContact O-N 3.26Å; F325-V329 HydrophobicContact CD1-CG2 4.17Å; F325-V329 HydrophobicContact CE1-CG2 3.68Å; F325-V329 HydrophobicContact CE2-CG2 4.13Å; F325-V329 HydrophobicContact CZ-CG2 3.66Å; F325-V329 WeakPolarHBondContact O-CG2 3.36Å; F325-V329 PolarHBondContact O-N 3.34Å; F325-F341 HydrophobicContact CD1-CD2 4.39Å; F325-F341 HydrophobicContact CD1-CE2 4.34Å; F325-F341 AromaticContact CE1-CD2 3.96Å; F325-F341 HydrophobicContact CE1-CD2 3.96Å; F325-F341 HydrophobicContact CE1-CE2 4.34Å
326A89.1Confident92.9Very high22 Ų2273 Ų7318%0.18244%0.437CS..Hα-helixtrans-60-44178.800000111.9L322 I323 G328 V329 V330 F341L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3Å; I323-A326 PolarHBondContact O-N 3.12Å; A326-G328 VanDerWaalsContact C-N 3.33Å; A326-G328 PolarHBondContact O-N 3.35Å; A326-V329 PolarHBondContact O-N 3.41Å; A326-V330 WeakPolarHBondContact O-CG2 3.28Å; A326-V330 PolarHBondContact O-N 3.45Å; A326-F341 HydrophobicContact CB-CE1 3.99Å; A326-F341 HydrophobicContact CB-CE2 4.47Å; A326-F341 HydrophobicContact CB-CZ 3.71Å
327C91.6Very high92.5Very high71 Ų7173 Ų7348%0.4843%0.434SS..Hα-helixtrans-60-43.4172.6-68.90000111.4I323 F325 V329 V330 V331I323-C327 WeakPolarHBondContact O-CB 3.5Å; I323-C327 PolarHBondContact O-N 2.97Å; I323-C327 PolarHBondContact O-SG 3.08Å; F325-C327 PolarHBondContact O-N 3.24Å; C327-V329 PolarHBondContact O-N 3.02Å; C327-V330 PolarHBondContact O-N 2.98Å; C327-V331 WeakPolarHBondContact O-CB 3.45Å; C327-V331 VanDerWaalsContact O-CG2 3.26Å; C327-V331 WeakPolarHBondContact O-CG2 3.16Å; C327-V331 PolarHBondContact O-N 3.38Å
328G91.8Very high92.1Very high40 Ų4071.9 Ų71.941%0.41243%0.428SS..Hα-helixtrans-60.1-42.6175.500000113.2K324 F325 A326 V331 S332K324-G328 PolarHBondContact O-N 2.8Å; F325-G328 CarbonylContact O-C 3.58Å; F325-G328 WeakPolarHBondContact O-CA 3.38Å; F325-G328 PolarHBondContact O-N 3.26Å; A326-G328 VanDerWaalsContact C-N 3.33Å; A326-G328 PolarHBondContact O-N 3.35Å; G328-V331 PolarHBondContact O-N 3.39Å; G328-S332 WeakPolarHBondContact O-CB 3.36Å; G328-S332 PolarHBondContact O-N 2.87Å
329V90.8Very high91.8Very high6 Ų676.3 Ų76.34%0.03645%0.451CS..Hα-helixtrans-60.7-46.2175.4169.50000110.9F325 A326 C327 S332 L337 I338 F341F325-V329 HydrophobicContact CD1-CG2 4.17Å; F325-V329 HydrophobicContact CE1-CG2 3.68Å; F325-V329 HydrophobicContact CE2-CG2 4.13Å; F325-V329 HydrophobicContact CZ-CG2 3.66Å; F325-V329 WeakPolarHBondContact O-CG2 3.36Å; F325-V329 PolarHBondContact O-N 3.34Å; A326-V329 PolarHBondContact O-N 3.41Å; C327-V329 PolarHBondContact O-N 3.02Å; V329-S332 PolarHBondContact O-N 3.5Å; V329-S332 PolarHBondContact O-OG 3.3Å; V329-L337 HydrophobicContact CG1-CB 4.02Å; V329-I338 HydrophobicContact CG1-CB 4.46Å; V329-I338 HydrophobicContact CG1-CG1 3.86Å; V329-F341 HydrophobicContact CG1-CB 4.17Å
330V89.1Confident91.5Very high105 Ų10576.9 Ų76.964%0.63646%0.464SS*.Hα-helixtrans-64.9-47.4179174.30000111.2A326 C327 S332 G333A326-V330 WeakPolarHBondContact O-CG2 3.28Å; A326-V330 PolarHBondContact O-N 3.45Å; C327-V330 PolarHBondContact O-N 2.98Å; V330-S332 VanDerWaalsContact C-N 3.27Å; V330-S332 PolarHBondContact O-N 3.3Å; V330-G333 PolarHBondContact O-N 2.99Å
331V93.3Very high91.1Very high127 Ų12775.3 Ų75.377%0.7745%0.448SS*.Hα-helixtrans-65.8-30.4-180171.70000112C327 G328 G333C327-V331 WeakPolarHBondContact O-CB 3.45Å; C327-V331 VanDerWaalsContact O-CG2 3.26Å; C327-V331 WeakPolarHBondContact O-CG2 3.16Å; C327-V331 PolarHBondContact O-N 3.38Å; G328-V331 PolarHBondContact O-N 3.39Å; V331-G333 PolarHBondContact O-N 2.84Å; V331-G333 VanDerWaalsContact O-N 3.13Å
332S92Very high90.7Very high60 Ų6075.8 Ų75.842%0.4245%0.446SS..THydrogen-bonded Turntrans-60.9-22.8178.377.60000113.6G328 V329 V330 S334G328-S332 WeakPolarHBondContact O-CB 3.36Å; G328-S332 PolarHBondContact O-N 2.87Å; V329-S332 PolarHBondContact O-N 3.5Å; V329-S332 PolarHBondContact O-OG 3.3Å; V330-S332 VanDerWaalsContact C-N 3.27Å; V330-S332 PolarHBondContact O-N 3.3Å; S332-S334 PolarHBondContact O-N 3.31Å; S332-S334 PolarHBondContact OG-N 3.47Å
333G89.4Confident90.6Very high53 Ų5376.5 Ų76.555%0.54646%0.455SS..  trans63.23.2-174.900000114.5V330 V331 P335V330-G333 PolarHBondContact O-N 2.99Å; V331-G333 PolarHBondContact O-N 2.84Å; V331-G333 VanDerWaalsContact O-N 3.13Å; G333-P335 VanDerWaalsContact O-CD 3.22Å; G333-P335 WeakPolarHBondContact O-CD 3.49Å
334S93.6Very high90.3Very high39 Ų3976.8 Ų76.827%0.27345%0.453SS..  trans-75.1114.4-175.9176.10000110.8S332 L336 L337 I338S332-S334 PolarHBondContact O-N 3.31Å; S332-S334 PolarHBondContact OG-N 3.47Å; S334-L336 PolarHBondContact O-N 3.31Å; S334-L337 PolarHBondContact O-N 3.38Å; S334-I338 WeakPolarHBondContact O-CG1 3.42Å; S334-I338 PolarHBondContact O-N 2.95Å; S334-I338 VanDerWaalsContact O-N 3.11Å
335P91.1Very high89.8Confident94 Ų9471.1 Ų71.161%0.6143%0.431SS*.Hα-helixtrans-59.9-34.9179.9-24.335.6000112.2G333 I338 I339G333-P335 VanDerWaalsContact O-CD 3.22Å; G333-P335 WeakPolarHBondContact O-CD 3.49Å; P335-I338 PolarHBondContact O-N 3.5Å; P335-I339 WeakPolarHBondContact O-CB 3.45Å; P335-I339 WeakPolarHBondContact O-CD1 3.39Å; P335-I339 WeakPolarHBondContact O-CG1 3.23Å; P335-I339 PolarHBondContact O-N 3Å
336L92.3Very high89.5Confident138 Ų13870.1 Ų70.172%0.72343%0.43SS*.Hα-helixtrans-65.1-44.7179.8-173.868000112S334 G340S334-L336 PolarHBondContact O-N 3.31Å; L336-G340 PolarHBondContact O-N 3.11Å
337L90.1Very high89.3Confident90 Ų9074.8 Ų74.847%0.47145%0.451SS..Hα-helixtrans-67.1-39.3178.4-67.9179.2000111.5V329 S334 G340 F341V329-L337 HydrophobicContact CG1-CB 4.02Å; S334-L337 PolarHBondContact O-N 3.38Å; L337-G340 PolarHBondContact O-N 2.89Å; L337-F341 WeakPolarHBondContact O-CB 3.36Å; L337-F341 PolarHBondContact O-N 3.25Å
338I89.6Confident88.7Confident59 Ų5972.5 Ų72.530%0.30344%0.437SS..Hα-helixtrans-64.2-48.6177.1-66.6166.7000110.4V329 S334 P335 G340 F341 I342V329-I338 HydrophobicContact CG1-CB 4.46Å; V329-I338 HydrophobicContact CG1-CG1 3.86Å; S334-I338 WeakPolarHBondContact O-CG1 3.42Å; S334-I338 PolarHBondContact O-N 2.95Å; S334-I338 VanDerWaalsContact O-N 3.11Å; P335-I338 PolarHBondContact O-N 3.5Å; I338-G340 PolarHBondContact O-N 2.82Å; I338-F341 PolarHBondContact O-N 3.4Å; I338-I342 HydrophobicContact CG2-CD1 3.83Å; I338-I342 VanDerWaalsContact O-CG1 3.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.43Å; I338-I342 PolarHBondContact O-N 3.41Å
339I90.8Very high88Confident112 Ų11271.5 Ų71.557%0.57442%0.423SS*.Hα-helixtrans-61-45.2177.8-69.7165.4000110.6P335 F341 I342 A343P335-I339 WeakPolarHBondContact O-CB 3.45Å; P335-I339 WeakPolarHBondContact O-CD1 3.39Å; P335-I339 WeakPolarHBondContact O-CG1 3.23Å; P335-I339 PolarHBondContact O-N 3Å; I339-F341 VanDerWaalsContact C-N 3.35Å; I339-F341 PolarHBondContact O-N 2.92Å; I339-I342 PolarHBondContact O-N 3.01Å; I339-A343 WeakPolarHBondContact O-CB 3.24Å; I339-A343 PolarHBondContact O-N 3.2Å
340G89.4Confident87.5Confident41 Ų4174.5 Ų74.542%0.42344%0.442SS..Hα-helixtrans-60.1-42.8177.300000112.7L336 L337 I338 A343 F344L336-G340 PolarHBondContact O-N 3.11Å; L337-G340 PolarHBondContact O-N 2.89Å; I338-G340 PolarHBondContact O-N 2.82Å; G340-A343 PolarHBondContact O-N 3.01Å; G340-F344 PolarHBondContact O-N 3.49Å
341F87.2Confident86.9Confident37 Ų3772 Ų7216%0.16243%0.432CS..Hα-helixtrans-66.3-42.3176.9-176.3-116.1000112.4L322 F325 A326 V329 L337 I338 I339 A343 F344 L345L322-F341 HydrophobicContact CD1-CE2 4.39Å; F325-F341 HydrophobicContact CD1-CD2 4.39Å; F325-F341 HydrophobicContact CD1-CE2 4.34Å; F325-F341 AromaticContact CE1-CD2 3.96Å; F325-F341 HydrophobicContact CE1-CD2 3.96Å; F325-F341 HydrophobicContact CE1-CE2 4.34Å; A326-F341 HydrophobicContact CB-CE1 3.99Å; A326-F341 HydrophobicContact CB-CE2 4.47Å; A326-F341 HydrophobicContact CB-CZ 3.71Å; V329-F341 HydrophobicContact CG1-CB 4.17Å; L337-F341 WeakPolarHBondContact O-CB 3.36Å; L337-F341 PolarHBondContact O-N 3.25Å; I338-F341 PolarHBondContact O-N 3.4Å; I339-F341 VanDerWaalsContact C-N 3.35Å; I339-F341 PolarHBondContact O-N 2.92Å; F341-A343 PolarHBondContact O-N 3.31Å; F341-F344 WeakPolarHBondContact O-CB 3.3Å; F341-F344 PolarHBondContact O-N 3.43Å; F341-L345 HydrophobicContact CD1-CD1 4.11Å; F341-L345 HydrophobicContact CE1-CD1 3.68Å; F341-L345 HydrophobicContact CE1-CG 4.27Å; F341-L345 HydrophobicContact CE2-CD2 4.4Å; F341-L345 HydrophobicContact CE2-CG 4.47Å; F341-L345 HydrophobicContact CZ-CD1 4.02Å; F341-L345 HydrophobicContact CZ-CD2 4.14Å; F341-L345 HydrophobicContact CZ-CG 4.21Å; F341-L345 WeakPolarHBondContact O-CG 3.45Å; F341-L345 PolarHBondContact O-N 3.32Å
342I86.3Confident86.1Confident85 Ų8567.3 Ų67.344%0.43640%0.402SS..Hα-helixtrans-61.4-44.8175.2-69168.3000110.6I338 I339 F344 L345 I346I338-I342 HydrophobicContact CG2-CD1 3.83Å; I338-I342 VanDerWaalsContact O-CG1 3.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.43Å; I338-I342 PolarHBondContact O-N 3.41Å; I339-I342 PolarHBondContact O-N 3.01Å; I342-F344 VanDerWaalsContact C-N 3.32Å; I342-F344 PolarHBondContact O-N 3.28Å; I342-L345 PolarHBondContact O-N 3Å; I342-I346 HydrophobicContact CG2-CD1 3.96Å; I342-I346 WeakPolarHBondContact O-CG1 3.39Å; I342-I346 PolarHBondContact O-N 2.86Å
343A87.9Confident85.4Confident44 Ų4471.9 Ų71.936%0.36441%0.41SS..Hα-helixtrans-59.6-42.8176.700000111.8I339 G340 F341 L345 I346 I347I339-A343 WeakPolarHBondContact O-CB 3.24Å; I339-A343 PolarHBondContact O-N 3.2Å; G340-A343 PolarHBondContact O-N 3.01Å; F341-A343 PolarHBondContact O-N 3.31Å; A343-L345 PolarHBondContact O-N 3.41Å; A343-I346 PolarHBondContact O-N 3.28Å; A343-I347 WeakPolarHBondContact O-CG1 3.47Å; A343-I347 PolarHBondContact O-N 3.02Å
344F86.2Confident84.8Confident99 Ų9978.7 Ų78.743%0.43442%0.419SS..Hα-helixtrans-58.9-46.2174.2171.7-99.2000112.4G340 F341 I342 I346 I347 A348G340-F344 PolarHBondContact O-N 3.49Å; F341-F344 WeakPolarHBondContact O-CB 3.3Å; F341-F344 PolarHBondContact O-N 3.43Å; I342-F344 VanDerWaalsContact C-N 3.32Å; I342-F344 PolarHBondContact O-N 3.28Å; F344-I346 VanDerWaalsContact C-N 3.31Å; F344-I346 PolarHBondContact O-N 3.31Å; F344-I347 PolarHBondContact O-N 3.36Å; F344-A348 WeakPolarHBondContact O-CB 3.39Å; F344-A348 PolarHBondContact O-N 3.48Å
345L84.2Confident83.8Confident51 Ų5179.2 Ų79.227%0.26742%0.419SS..Hα-helixtrans-62.4-37.4177.6-67.2177.2000112.4L15 F341 I342 A343 S349L15-L345 HydrophobicContact CD2-CB 4.46Å; L15-L345 HydrophobicContact CD2-CD2 4.02Å; F341-L345 HydrophobicContact CD1-CD1 4.11Å; F341-L345 HydrophobicContact CE1-CD1 3.68Å; F341-L345 HydrophobicContact CE1-CG 4.27Å; F341-L345 HydrophobicContact CE2-CD2 4.4Å; F341-L345 HydrophobicContact CE2-CG 4.47Å; F341-L345 HydrophobicContact CZ-CD1 4.02Å; F341-L345 HydrophobicContact CZ-CD2 4.14Å; F341-L345 HydrophobicContact CZ-CG 4.21Å; F341-L345 WeakPolarHBondContact O-CG 3.45Å; F341-L345 PolarHBondContact O-N 3.32Å; I342-L345 PolarHBondContact O-N 3Å; A343-L345 PolarHBondContact O-N 3.41Å; L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.47Å; L345-S349 PolarHBondContact O-N 3.45Å
346I84.3Confident83Confident100 Ų10076.5 Ų76.551%0.51340%0.399SS..Hα-helixtrans-64-46.5175.5-67.7167.3000110.5I342 A343 F344 S349 V350I342-I346 HydrophobicContact CG2-CD1 3.96Å; I342-I346 WeakPolarHBondContact O-CG1 3.39Å; I342-I346 PolarHBondContact O-N 2.86Å; A343-I346 PolarHBondContact O-N 3.28Å; F344-I346 VanDerWaalsContact C-N 3.31Å; F344-I346 PolarHBondContact O-N 3.31Å; I346-S349 WeakPolarHBondContact O-CB 3.32Å; I346-S349 PolarHBondContact O-N 3.35Å; I346-V350 WeakPolarHBondContact O-CG2 3.44Å; I346-V350 PolarHBondContact O-N 3.07Å
347I84Confident82Confident120 Ų12070.3 Ų70.362%0.61537%0.368SS*.Hα-helixtrans-61.7-46.6178.3-67.1166.2000110.6A343 F344 S349 V350 A351A343-I347 WeakPolarHBondContact O-CG1 3.47Å; A343-I347 PolarHBondContact O-N 3.02Å; F344-I347 PolarHBondContact O-N 3.36Å; I347-S349 VanDerWaalsContact C-N 3.33Å; I347-S349 PolarHBondContact O-N 3.45Å; I347-V350 PolarHBondContact O-N 2.9Å; I347-A351 PolarHBondContact O-N 2.99Å
348A78.4Confident81Confident23 Ų2369 Ų6919%0.1936%0.364CS..Hα-helixtrans-59.9-42.8177.300000112L15 F344 A351 I352L15-A348 HydrophobicContact CD1-CB 4.38Å; F344-A348 WeakPolarHBondContact O-CB 3.39Å; F344-A348 PolarHBondContact O-N 3.48Å; A348-A351 PolarHBondContact O-N 3.31Å; A348-I352 WeakPolarHBondContact O-CG1 3.47Å; A348-I352 PolarHBondContact O-N 3.14Å
349S77.9Confident79.9Confident18 Ų1867.5 Ų67.513%0.12636%0.358CS..Hα-helixtrans-58.3-47.4174.5164.20000112.3F11 L345 I346 I347 A351 I352 R353F11-S349 VanDerWaalsContact CZ-OG 3.23Å; F11-S349 WeakPolarHBondContact CZ-OG 3.32Å; L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.47Å; L345-S349 PolarHBondContact O-N 3.45Å; I346-S349 WeakPolarHBondContact O-CB 3.32Å; I346-S349 PolarHBondContact O-N 3.35Å; I347-S349 VanDerWaalsContact C-N 3.33Å; I347-S349 PolarHBondContact O-N 3.45Å; S349-A351 VanDerWaalsContact C-N 3.33Å; S349-A351 PolarHBondContact O-N 3.47Å; S349-I352 PolarHBondContact O-N 2.88Å; S349-R353 WeakPolarHBondContact O-CG 3.22Å; S349-R353 PolarHBondContact O-N 3.24Å
350V81Confident78.9Confident70 Ų7065.3 Ų65.342%0.42435%0.345SS..Hα-helixtrans-62.9-40.8177.5172.20000111.1I346 I347 R353 R354I346-V350 WeakPolarHBondContact O-CG2 3.44Å; I346-V350 PolarHBondContact O-N 3.07Å; I347-V350 PolarHBondContact O-N 2.9Å; V350-R353 PolarHBondContact O-N 2.86Å; V350-R354 WeakPolarHBondContact O-CG 3.35Å; V350-R354 PolarHBondContact O-N 3.28Å
351A76.7Confident77.4Confident51 Ų5164.9 Ų64.942%0.42133%0.334SS..Hα-helixtrans-62-47177.800000112.2I347 A348 S349 R353 R354 L355I347-A351 PolarHBondContact O-N 2.99Å; A348-A351 PolarHBondContact O-N 3.31Å; S349-A351 VanDerWaalsContact C-N 3.33Å; S349-A351 PolarHBondContact O-N 3.47Å; A351-R353 PolarHBondContact O-N 3.03Å; A351-R354 PolarHBondContact O-N 3.43Å; A351-L355 PolarHBondContact O-N 3.31Å
352I75.6Confident76Confident29 Ų2973 Ų7315%0.14937%0.369CS..Hα-helixtrans-61.9-44.7177.5-70.9160.2000111.1L15 A348 S349 R354 L355 I356L15-I352 HydrophobicContact CD1-CD1 3.71Å; A348-I352 WeakPolarHBondContact O-CG1 3.47Å; A348-I352 PolarHBondContact O-N 3.14Å; S349-I352 PolarHBondContact O-N 2.88Å; I352-R354 VanDerWaalsContact C-N 3.27Å; I352-R354 PolarHBondContact O-N 3.05Å; I352-L355 PolarHBondContact O-N 3.29Å; I352-L355 VanDerWaalsContact O-N 3.12Å; I352-I356 HydrophobicContact CG2-CD1 4.09Å; I352-I356 PolarHBondContact O-N 2.66Å
353R77.3Confident74.5Confident157 Ų15775.7 Ų75.759%0.59238%0.378SS*.Hα-helixtrans-60.4-37.8176.8-72.6-178.8-176.3-152.10.4112.2S349 V350 A351 G357S349-R353 WeakPolarHBondContact O-CG 3.22Å; S349-R353 PolarHBondContact O-N 3.24Å; V350-R353 PolarHBondContact O-N 2.86Å; A351-R353 PolarHBondContact O-N 3.03Å; R353-G357 PolarHBondContact O-N 3.29Å
354R77.1Confident72.8Confident195 Ų19575.7 Ų75.774%0.73637%0.373SS*.Hα-helixtrans-64.6-41.6174.3-77.6-172.4176.41730.7112.2V350 A351 I352 G357 V358V350-R354 WeakPolarHBondContact O-CG 3.35Å; V350-R354 PolarHBondContact O-N 3.28Å; A351-R354 PolarHBondContact O-N 3.43Å; I352-R354 VanDerWaalsContact C-N 3.27Å; I352-R354 PolarHBondContact O-N 3.05Å; R354-G357 PolarHBondContact O-N 2.93Å; R354-V358 PolarHBondContact O-N 3.45Å
355L73.2Confident71.2Confident51 Ų5172.3 Ų72.327%0.26737%0.367SS..Hα-helixtrans-61.9-44.9176.7-72.1172.6000112.1V22 V129 A351 I352 G357 V358V22-L355 HydrophobicContact CG2-CD1 4.02Å; V129-L355 HydrophobicContact CG1-CD2 4.24Å; A351-L355 PolarHBondContact O-N 3.31Å; I352-L355 PolarHBondContact O-N 3.29Å; I352-L355 VanDerWaalsContact O-N 3.12Å; L355-G357 VanDerWaalsContact C-N 3.29Å; L355-G357 PolarHBondContact O-N 3.06Å; L355-V358 WeakPolarHBondContact O-CB 3.3Å; L355-V358 PolarHBondContact O-N 3.04Å
356I73.1Confident70Confident36 Ų3670.7 Ų70.719%0.18536%0.359CS..Hα-helixtrans-61-41.8175-64.1169.8000110.3L240 I352 V358 T359L240-I356 HydrophobicContact CD2-CG2 4.49Å; I352-I356 HydrophobicContact CG2-CD1 4.09Å; I352-I356 PolarHBondContact O-N 2.66Å; I356-V358 PolarHBondContact O-N 2.88Å; I356-V358 VanDerWaalsContact O-N 3.14Å; I356-T359 PolarHBondContact O-N 3.14Å; I356-T359 PolarHBondContact O-OG1 3.23Å
357G71Confident68.6Low8 Ų869.4 Ų69.48%0.08236%0.36CS..Hα-helixtrans-58.5-26.1177.800000114.5R353 R354 L355 T359 E360 K363R353-G357 PolarHBondContact O-N 3.29Å; R354-G357 PolarHBondContact O-N 2.93Å; L355-G357 VanDerWaalsContact C-N 3.29Å; L355-G357 PolarHBondContact O-N 3.06Å; G357-T359 PolarHBondContact O-N 3.47Å; G357-E360 PolarHBondContact O-N 3.42Å; G357-K363 WeakPolarHBondContact O-CD 3.37Å
358V70.1Confident66.9Low62 Ų6264.5 Ų64.538%0.37633%0.334SS..THydrogen-bonded Turntrans-68.3-21.71751770000111.8L126 V129 R354 L355 I356 T364L126-V358 HydrophobicContact CD2-CG1 4.3Å; V129-V358 HydrophobicContact CG2-CG1 4.11Å; R354-V358 PolarHBondContact O-N 3.45Å; L355-V358 WeakPolarHBondContact O-CB 3.3Å; L355-V358 PolarHBondContact O-N 3.04Å; I356-V358 PolarHBondContact O-N 2.88Å; I356-V358 VanDerWaalsContact O-N 3.14Å; V358-T364 WeakPolarHBondContact O-CG2 3.37Å
359T67.1Low65.6Low28 Ų2865.7 Ų65.717%0.17235%0.348CS..THydrogen-bonded Turntrans-91.7-10.5-18064.10000114.4R179 L240 I356 G357R179-T359 PolarHBondContact NH1-O 2.94Å; R179-T359 PolarHBondContact NH2-O 3.48Å; R179-T359 VanDerWaalsContact NH2-O 3.1Å; L240-T359 HydrophobicContact CD2-CG2 4.08Å; L240-T359 WeakPolarHBondContact CD2-OG1 2.9Å; I356-T359 PolarHBondContact O-N 3.14Å; I356-T359 PolarHBondContact O-OG1 3.23Å; G357-T359 PolarHBondContact O-N 3.47Å
360E69.3Low64.2Low67 Ų6767.6 Ų67.631%0.31336%0.357SS..  trans-64138.7-175.6-70.8173.9-173.300112.8E99 G357 K362 K363 T364E99-E360 WeakPolarHBondContact OE1-CA 3.45Å; G357-E360 PolarHBondContact O-N 3.42Å; E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 3.32Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-K363 IonicContact OE1-NZ 3.74Å; E360-K363 WeakPolarHBondContact OE2-CD 3.44Å; E360-K363 VanDerWaalsContact OE2-CE 3.31Å; E360-K363 WeakPolarHBondContact OE2-CE 3.26Å; E360-K363 IonicContact OE2-NZ 2.75Å; E360-K363 PolarHBondContact OE2-NZ 2.91Å; E360-T364 WeakPolarHBondContact O-CB 3.4Å; E360-T364 VanDerWaalsContact O-CG2 3.29Å; E360-T364 WeakPolarHBondContact O-CG2 3.43Å; E360-T364 PolarHBondContact O-N 3.27Å; E360-T364 PolarHBondContact O-OG1 2.93Å
361V58.1Low62.5Low32 Ų3272.1 Ų72.119%0.19437%0.373CS..Hα-helixtrans-57.1-41-179.6-1760000112.4E99 R179 T181 K363 T364E99-V361 HydrophobicContact CG-CG2 3.32Å; E99-V361 WeakPolarHBondContact OE1-CG2 3.43Å; E99-V361 PolarHBondContact OE1-N 3.22Å; R179-V361 HydrophobicContact CB-CG1 4.12Å; T181-V361 HydrophobicContact CG2-CG1 3.97Å; V361-K363 VanDerWaalsContact C-N 3.28Å; V361-K363 PolarHBondContact O-N 3.13Å; V361-T364 WeakPolarHBondContact CA-OG1 3.18Å; V361-T364 PolarHBondContact O-N 3.46Å; V361-T364 PolarHBondContact O-OG1 2.87Å
362K56.7Low60.8Low206 Ų20676.9 Ų76.990%0.89639%0.387SS*.Hα-helixtrans-64.8-29.4-176.4-68.6-177179.9178.40113.1E360E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 3.32Å
363K56.2Low59.2Low143 Ų14377.1 Ų77.162%0.62239%0.393SS*.Hα-helixtrans-99-15.7-175.8-68.6175.5-177.9144.50113.9G357 E360 V361G357-K363 WeakPolarHBondContact O-CD 3.37Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-K363 IonicContact OE1-NZ 3.74Å; E360-K363 WeakPolarHBondContact OE2-CD 3.44Å; E360-K363 VanDerWaalsContact OE2-CE 3.31Å; E360-K363 WeakPolarHBondContact OE2-CE 3.26Å; E360-K363 IonicContact OE2-NZ 2.75Å; E360-K363 PolarHBondContact OE2-NZ 2.91Å; V361-K363 VanDerWaalsContact C-N 3.28Å; V361-K363 PolarHBondContact O-N 3.13Å
364T51.9Low57.3Low43 Ų4378.3 Ų78.326%0.26440%0.402SS..Hα-helixtrans-98.2-6.2-174.448.40000114.4R179 V358 E360 V361R179-T364 PolarHBondContact NH1-OG1 2.83Å; V358-T364 WeakPolarHBondContact O-CG2 3.37Å; E360-T364 WeakPolarHBondContact O-CB 3.4Å; E360-T364 VanDerWaalsContact O-CG2 3.29Å; E360-T364 WeakPolarHBondContact O-CG2 3.43Å; E360-T364 PolarHBondContact O-N 3.27Å; E360-T364 PolarHBondContact O-OG1 2.93Å; V361-T364 WeakPolarHBondContact CA-OG1 3.18Å; V361-T364 PolarHBondContact O-N 3.46Å; V361-T364 PolarHBondContact O-OG1 2.87Å
365G51.7Low55.3Low29 Ų2978.1 Ų78.130%0.29941%0.407SS..  trans-57.5139.6-178.400000114
366S58.7Low53.4Low16 Ų1684.2 Ų84.211%0.11243%0.434CS..  trans-73.8159.9160.282.70000109.8Y368S366-Y368 PolarHBondContact O-N 3.3Å; S366-Y368 WeakPolarHBondContact OG-CB 3.38Å; S366-Y368 PolarHBondContact OG-N 3.48Å
367S55.8Low51.6Low74 Ų7494 Ų9452%0.51748%0.475SS..  trans-70.440.7167.452.70000112.1G369 N370S367-G369 PolarHBondContact O-N 2.66Å; S367-N370 PolarHBondContact O-N 2.99Å
368Y47.5Very low50.6Low17 Ų1798.4 Ų98.47%0.06750%0.495CS..THydrogen-bonded Turntrans-48.4111.9-172.1-169.2-89.4000110.9T178 K184 I187 S188 R207 S366 N370T178-Y368 HydrophobicContact CG2-CD2 3.5Å; T178-Y368 VanDerWaalsContact CG2-CD2 3.5Å; T178-Y368 HydrophobicContact CG2-CE2 4.15Å; T178-Y368 HydrophobicContact CG2-CG 3.92Å; K184-Y368 HydrophobicContact CB-CD1 4.21Å; I187-Y368 HydrophobicContact CB-CD1 4.4Å; I187-Y368 WeakPolarHBondContact CD1-O 3.22Å; I187-Y368 HydrophobicContact CG2-CD1 3.93Å; I187-Y368 HydrophobicContact CG2-CE1 4.16Å; S188-Y368 PolarHBondContact OG-OH 3.26Å; R207-Y368 VanDerWaalsContact NH2-CE2 3.31Å; S366-Y368 PolarHBondContact O-N 3.3Å; S366-Y368 WeakPolarHBondContact OG-CB 3.38Å; S366-Y368 PolarHBondContact OG-N 3.48Å; Y368-N370 PolarHBondContact O-N 3.37Å
369G52.1Low49.6Very low48 Ų48100.3 Ų100.350%0.49550%0.501SS..THydrogen-bonded Turntrans53.617.5-177.800000116.4S367 Q371S367-G369 PolarHBondContact O-N 2.66Å; G369-Q371 PolarHBondContact O-N 3.24Å
370N48.3Very low48.6Very low57 Ų57104.3 Ų104.331%0.30552%0.52SS..  trans-82.9104.8174.2-162.55.6000109.8S367 Y368 E372 A373S367-N370 PolarHBondContact O-N 2.99Å; Y368-N370 PolarHBondContact O-N 3.37Å; N370-E372 VanDerWaalsContact C-N 3.26Å; N370-E372 PolarHBondContact O-N 3.43Å; N370-A373 HydrophobicContact CB-CB 4.19Å; N370-A373 PolarHBondContact O-N 3.23Å
371Q45.5Very low47.4Very low165 Ų165106.5 Ų106.577%0.77153%0.532SS*.SBendtrans-66-27.3179.3-67.4-171.2-3.100112.4G369 K374G369-Q371 PolarHBondContact O-N 3.24Å; Q371-K374 PolarHBondContact O-N 3.11Å
372E40.4Very low46.7Very low151 Ų151111.1 Ų111.171%0.70655%0.553SS**G310 helixtrans-69.2-34.9177.7-67.3-179.615800112.5N370 K374 K375N370-E372 VanDerWaalsContact C-N 3.26Å; N370-E372 PolarHBondContact O-N 3.43Å; E372-K374 PolarHBondContact O-N 2.9Å; E372-K375 PolarHBondContact O-N 3.43Å; E372-K375 VanDerWaalsContact O-N 3.11Å
373A41.7Very low46Very low34 Ų34104.8 Ų104.828%0.28153%0.53SS..G310 helixtrans-71.9-14.7177.200000113.3N370 K375N370-A373 HydrophobicContact CB-CB 4.19Å; N370-A373 PolarHBondContact O-N 3.23Å; A373-K375 VanDerWaalsContact C-N 3.34Å
374K37.2Very low45.3Very low182 Ų182102.1 Ų102.179%0.79152%0.524SS*.G310 helixtrans-78.6-17.4171.1-80.6-174.4172.6-175.70112.7Q371 E372Q371-K374 PolarHBondContact O-N 3.11Å; E372-K374 PolarHBondContact O-N 2.9Å
375K36Very low44.8Very low192 Ų192106.6 Ų106.684%0.83554%0.544SS*.SBendtrans-90.3-5.5-179.4-71.9-174.7176-179.10114.3E372 A373E372-K375 PolarHBondContact O-N 3.43Å; E372-K375 VanDerWaalsContact O-N 3.11Å; A373-K375 VanDerWaalsContact C-N 3.34Å
376Q33.1Very low44.2Very low179 Ų179113.1 Ų113.184%0.83656%0.564SS**  trans-118.730.1-178.5-72.2-174.1-10.300113.7
377K34.5Very low42.9Very low242 Ų242121.9 Ų121.9100%1.05261%0.605SS**  trans-131.70171.7-87.1-163.6173.3-163.60112.6

Retrieved 377 of 377 residues in 210.2 ms (Link to these results)

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