A0A087XPH2_POEFO Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A087XPH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 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
1M48.3Very low61.7Low121 Ų121107.8 Ų107.860%0.59654%0.543SS*.  0125.70-169.5170.877.600108.4L3M1-L3 HydrophobicContact CE-CD2 4.49Å
2K58.3Low62.4Low146 Ų146101.3 Ų101.364%0.63551%0.511SS*.PPolyproline II helixtrans-73136.5165.2-78.9-174.2176.3-1750107.5M406K2-M406 HydrophobicContact CG-CE 3.61Å
3L64.3Low63Low28 Ų28103.4 Ų103.415%0.14752%0.517CS..PPolyproline II helixtrans-71.3135.7173-69.3172.4000108.3M1 E5 F398 V399 Y402 N403M1-L3 HydrophobicContact CE-CD2 4.49Å; L3-E5 PolarHBondContact O-N 2.83Å; L3-F398 HydrophobicContact CD1-CE1 4.35Å; L3-V399 HydrophobicContact CB-CB 4.36Å; L3-V399 HydrophobicContact CB-CG1 3.78Å; L3-V399 HydrophobicContact CB-CG2 4.03Å; L3-V399 HydrophobicContact CD1-CG2 4.03Å; L3-Y402 HydrophobicContact CD1-CD1 3.74Å; L3-Y402 HydrophobicContact CD1-CD2 4.45Å; L3-Y402 HydrophobicContact CD1-CE1 4.31Å; L3-Y402 HydrophobicContact CD1-CG 3.83Å; L3-Y402 HydrophobicContact CG-CD1 3.99Å; L3-Y402 HydrophobicContact CG-CE1 4.23Å; L3-N403 PolarHBondContact N-OD1 3.43Å; L3-N403 VanDerWaalsContact N-OD1 3.12Å; L3-N403 PolarHBondContact O-ND2 3.12Å
4K62Low63.9Low201 Ų201102.2 Ų102.287%0.87452%0.518SS*.PPolyproline II helixtrans-62.8133.5-178.5-75.8-174.4179.1178.50110.1
5E60.1Low64.5Low81 Ų8198.1 Ų98.138%0.37950%0.495SS..  trans-99.597.7-179.1-69.5176.1-170.400109.3L3 I7 V399 N403L3-E5 PolarHBondContact O-N 2.83Å; E5-I7 HydrophobicContact CB-CD1 3.77Å; E5-I7 HydrophobicContact CB-CG1 4.04Å; E5-I7 HydrophobicContact CG-CD1 3.9Å; E5-I7 PolarHBondContact O-N 3.44Å; E5-V399 HydrophobicContact CG-CG1 4.11Å; E5-N403 PolarHBondContact OE1-ND2 2.92Å
6D56.2Low65.2Low160 Ų160101.9 Ų101.986%0.85650%0.502SS*.  trans-9185.9164.2-82.7-29.7000108.2
7I61.9Low65.7Low41 Ų4199.9 Ų99.921%0.2150%0.5CS..  trans-132140.9-167.2-57.3178.3000112.7E5 L11 L12 T396 L400E5-I7 HydrophobicContact CB-CD1 3.77Å; E5-I7 HydrophobicContact CB-CG1 4.04Å; E5-I7 HydrophobicContact CG-CD1 3.9Å; E5-I7 PolarHBondContact O-N 3.44Å; I7-L11 HydrophobicContact CG2-CB 4.48Å; I7-L12 HydrophobicContact CD1-CD1 4.23Å; I7-L12 HydrophobicContact CG2-CB 3.94Å; I7-T396 HydrophobicContact CD1-CG2 3.66Å; I7-T396 HydrophobicContact CG1-CG2 3.78Å; I7-T396 HydrophobicContact CG2-CG2 4.43Å; I7-L400 HydrophobicContact CD1-CD1 4.1Å; I7-L400 HydrophobicContact CD1-CD2 3.7Å; I7-L400 HydrophobicContact CD1-CG 3.89Å
8N67.4Low66.1Low106 Ų10699.4 Ų99.457%0.56750%0.503SS*.  trans-67.4124.8166.4179.7-41.1000110.3L10 L11 L12N8-L10 PolarHBondContact O-N 2.87Å; N8-L10 WeakPolarHBondContact OD1-CB 3.11Å; N8-L10 PolarHBondContact OD1-N 3.4Å; N8-L11 PolarHBondContact O-N 2.97Å; N8-L12 PolarHBondContact O-N 2.9Å
9P69.3Low66.4Low100 Ų10095.6 Ų95.665%0.64949%0.485SS*.Hα-helixtrans-56.2-29.6-17218.4-30.4000114.6Q13P9-Q13 PolarHBondContact O-N 3.02Å; P9-Q13 VanDerWaalsContact O-N 3.13Å
10L65.3Low66.8Low122 Ų12299.8 Ų99.864%0.63950%0.495SS*.Hα-helixtrans-69.3-40.9179-149.6104.5000112N8 L12 Q13 V14N8-L10 PolarHBondContact O-N 2.87Å; N8-L10 WeakPolarHBondContact OD1-CB 3.11Å; N8-L10 PolarHBondContact OD1-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-Q13 PolarHBondContact O-N 3.46Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.45Å
11L65.7Low67.1Low80 Ų8098.4 Ų98.442%0.41949%0.492SS..Hα-helixtrans-69.9-35.9-179.6-146.1116.9000111.1I7 N8 Q13 V14 F15 T396I7-L11 HydrophobicContact CG2-CB 4.48Å; N8-L11 PolarHBondContact O-N 2.97Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-V14 PolarHBondContact O-N 3.33Å; L11-F15 PolarHBondContact O-N 3Å; L11-T396 HydrophobicContact CD2-CG2 4.37Å
12L70.1Confident68.1Low30 Ų3094.7 Ų94.716%0.15747%0.472CS..Hα-helixtrans-62.7-39.6172.6-171.965.6000111.4I7 N8 L10 F15 R16 L400I7-L12 HydrophobicContact CD1-CD1 4.23Å; I7-L12 HydrophobicContact CG2-CB 3.94Å; N8-L12 PolarHBondContact O-N 2.9Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-F15 PolarHBondContact O-N 2.92Å; L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 VanDerWaalsContact O-CG 3.26Å; L12-R16 WeakPolarHBondContact O-CG 3.17Å; L12-R16 PolarHBondContact O-N 2.9Å; L12-L400 HydrophobicContact CD1-CD2 3.63Å
13Q70.8Confident68.5Low128 Ų12889.2 Ų89.260%0.59845%0.451SS*.Hα-helixtrans-68.8-42.9179.4-155.4171.58.800111.6P9 L10 L11 F15 R16 S17P9-Q13 PolarHBondContact O-N 3.02Å; P9-Q13 VanDerWaalsContact O-N 3.13Å; L10-Q13 PolarHBondContact O-N 3.46Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; Q13-F15 PolarHBondContact O-N 3.25Å; Q13-R16 PolarHBondContact O-N 3.44Å; Q13-S17 PolarHBondContact O-N 2.96Å; Q13-S17 PolarHBondContact O-OG 2.87Å; Q13-S17 VanDerWaalsContact O-OG 3.12Å
14V74.9Confident68.8Low87 Ų8791.2 Ų91.253%0.52747%0.465SS..Hα-helixtrans-60-46.9173173.90000111.2L10 L11 R16 S17 V18L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.45Å; L11-V14 PolarHBondContact O-N 3.33Å; V14-R16 VanDerWaalsContact C-N 3.35Å; V14-R16 PolarHBondContact O-N 3.13Å; V14-S17 PolarHBondContact O-N 3.38Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.45Å
15F72.9Confident69.2Low41 Ų4187 Ų8718%0.1845%0.451CS..Hα-helixtrans-60.7-44176.5-179-94.5000111.8L11 L12 Q13 S17 V18 V19 L397 L400L11-F15 PolarHBondContact O-N 3Å; L12-F15 PolarHBondContact O-N 2.92Å; Q13-F15 PolarHBondContact O-N 3.25Å; F15-S17 VanDerWaalsContact C-N 3.35Å; F15-S17 PolarHBondContact O-N 2.9Å; F15-V18 PolarHBondContact O-N 3.2Å; F15-V19 HydrophobicContact CD1-CG2 3.82Å; F15-V19 HydrophobicContact CD2-CG2 4.4Å; F15-V19 HydrophobicContact CE1-CB 4.4Å; F15-V19 HydrophobicContact CE1-CG2 3.33Å; F15-V19 HydrophobicContact CE2-CG2 3.98Å; F15-V19 HydrophobicContact CG-CG2 4.33Å; F15-V19 HydrophobicContact CZ-CG2 3.41Å; F15-V19 VanDerWaalsContact CZ-CG2 3.41Å; F15-V19 WeakPolarHBondContact O-CB 3.22Å; F15-V19 WeakPolarHBondContact O-CG2 3.37Å; F15-V19 PolarHBondContact O-N 3.37Å; F15-L397 HydrophobicContact CD2-CD1 4.25Å; F15-L397 HydrophobicContact CE2-CD1 3.97Å; F15-L400 HydrophobicContact CB-CD1 3.97Å; F15-L400 HydrophobicContact CD1-CB 3.95Å; F15-L400 HydrophobicContact CD1-CD1 3.88Å; F15-L400 HydrophobicContact CD1-CD2 4.03Å; F15-L400 HydrophobicContact CD1-CG 4.18Å; F15-L400 HydrophobicContact CD2-CB 4.19Å; F15-L400 HydrophobicContact CD2-CD1 3.88Å; F15-L400 HydrophobicContact CE1-CB 3.54Å; F15-L400 HydrophobicContact CE1-CD1 4.35Å; F15-L400 HydrophobicContact CE1-CD2 4.2Å; F15-L400 HydrophobicContact CE1-CG 4.25Å; F15-L400 HydrophobicContact CE2-CB 3.8Å; F15-L400 HydrophobicContact CE2-CD1 4.35Å; F15-L400 HydrophobicContact CG-CB 4.26Å; F15-L400 HydrophobicContact CG-CD1 3.63Å; F15-L400 HydrophobicContact CG-CG 4.4Å; F15-L400 HydrophobicContact CZ-CB 3.47Å; F15-L400 VanDerWaalsContact CZ-CB 3.47Å
16R75.3Confident69.5Low158 Ų15884.7 Ų84.760%0.59644%0.442SS*.Hα-helixtrans-61.3-41176-77.1175.8-178.4-175.72.7112.1L12 Q13 V14 V19 W20L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 VanDerWaalsContact O-CG 3.26Å; L12-R16 WeakPolarHBondContact O-CG 3.17Å; L12-R16 PolarHBondContact O-N 2.9Å; Q13-R16 PolarHBondContact O-N 3.44Å; V14-R16 VanDerWaalsContact C-N 3.35Å; V14-R16 PolarHBondContact O-N 3.13Å; R16-V19 PolarHBondContact O-N 3Å; R16-W20 WeakPolarHBondContact O-CB 3.33Å; R16-W20 PolarHBondContact O-N 3.26Å
17S73.4Confident70Confident68 Ų6880.5 Ų80.548%0.47642%0.416SS..Hα-helixtrans-63.8-44.8175.3-64.30000111.6Q13 V14 F15 W20 V21Q13-S17 PolarHBondContact O-N 2.96Å; Q13-S17 PolarHBondContact O-OG 2.87Å; Q13-S17 VanDerWaalsContact O-OG 3.12Å; V14-S17 PolarHBondContact O-N 3.38Å; F15-S17 VanDerWaalsContact C-N 3.35Å; F15-S17 PolarHBondContact O-N 2.9Å; S17-W20 PolarHBondContact O-N 3.33Å; S17-V21 VanDerWaalsContact O-CG2 3.32Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 2.68Å
18V74.5Confident70.2Confident92 Ų9283.4 Ų83.456%0.55843%0.432SS*.Hα-helixtrans-63-44.6175.5172.90000111.1V14 F15 W20 V21 Y22V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.45Å; F15-V18 PolarHBondContact O-N 3.2Å; V18-W20 VanDerWaalsContact C-N 3.33Å; V18-W20 PolarHBondContact O-N 2.9Å; V18-V21 PolarHBondContact O-N 2.76Å; V18-Y22 WeakPolarHBondContact O-CB 3.34Å; V18-Y22 PolarHBondContact O-N 3.12Å
19V71.6Confident70.1Confident26 Ų2681.6 Ų81.616%0.15843%0.426CS..Hα-helixtrans-66.5-34.5176.7167.40000112F15 R16 Y22 S23 Y404F15-V19 HydrophobicContact CD1-CG2 3.82Å; F15-V19 HydrophobicContact CD2-CG2 4.4Å; F15-V19 HydrophobicContact CE1-CB 4.4Å; F15-V19 HydrophobicContact CE1-CG2 3.33Å; F15-V19 HydrophobicContact CE2-CG2 3.98Å; F15-V19 HydrophobicContact CG-CG2 4.33Å; F15-V19 HydrophobicContact CZ-CG2 3.41Å; F15-V19 VanDerWaalsContact CZ-CG2 3.41Å; F15-V19 WeakPolarHBondContact O-CB 3.22Å; F15-V19 WeakPolarHBondContact O-CG2 3.37Å; F15-V19 PolarHBondContact O-N 3.37Å; R16-V19 PolarHBondContact O-N 3Å; V19-Y22 WeakPolarHBondContact O-CB 2.86Å; V19-S23 WeakPolarHBondContact O-CB 3.37Å; V19-S23 PolarHBondContact O-N 3.41Å; V19-S23 PolarHBondContact O-OG 3.29Å; V19-Y404 HydrophobicContact CG1-CD2 3.4Å; V19-Y404 VanDerWaalsContact CG1-CD2 3.4Å; V19-Y404 HydrophobicContact CG1-CE2 3.26Å; V19-Y404 HydrophobicContact CG1-CG 4.21Å
20W72.9Confident70Confident180 Ų18078.9 Ų78.968%0.68240%0.403SS*.Hα-helixtrans-68.2-49.7176.5-178.185.2000110.6R16 S17 V18 Y22 S23 V24R16-W20 WeakPolarHBondContact O-CB 3.33Å; R16-W20 PolarHBondContact O-N 3.26Å; S17-W20 PolarHBondContact O-N 3.33Å; V18-W20 VanDerWaalsContact C-N 3.33Å; V18-W20 PolarHBondContact O-N 2.9Å; W20-Y22 VanDerWaalsContact C-N 3.32Å; W20-Y22 PolarHBondContact O-N 3.46Å; W20-S23 PolarHBondContact O-N 2.98Å; W20-V24 HydrophobicContact CD2-CG2 4.24Å; W20-V24 HydrophobicContact CH2-CG2 4.44Å; W20-V24 HydrophobicContact CZ2-CG2 4.13Å; W20-V24 WeakPolarHBondContact O-CG2 3.45Å; W20-V24 PolarHBondContact O-N 2.67Å
21V73Confident70.1Confident71 Ų7178 Ų7843%0.4339%0.391SS..Hα-helixtrans-58.2-46.3173.6172.40000110.6S17 V18 S23 V24 I25S17-V21 VanDerWaalsContact O-CG2 3.32Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 2.68Å; V18-V21 PolarHBondContact O-N 2.76Å; V21-S23 PolarHBondContact O-N 2.86Å; V21-V24 PolarHBondContact O-N 2.85Å; V21-I25 HydrophobicContact CG1-CD1 3.53Å; V21-I25 HydrophobicContact CG1-CG1 4.34Å; V21-I25 WeakPolarHBondContact O-CB 3.49Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.35Å; V21-I25 PolarHBondContact O-N 2.8Å
22Y69.7Low70.1Confident43 Ų4382 Ų8217%0.16941%0.406CS..Hα-helixtrans-56-49.2174.1171-89.2000112.1V18 V19 W20 V24 I25 T26 Y404 L417V18-Y22 WeakPolarHBondContact O-CB 3.34Å; V18-Y22 PolarHBondContact O-N 3.12Å; V19-Y22 WeakPolarHBondContact O-CB 2.86Å; W20-Y22 VanDerWaalsContact C-N 3.32Å; W20-Y22 PolarHBondContact O-N 3.46Å; Y22-V24 VanDerWaalsContact C-N 3.35Å; Y22-I25 PolarHBondContact O-N 3.1Å; Y22-T26 HydrophobicContact CD2-CG2 3.99Å; Y22-T26 HydrophobicContact CE1-CG2 4.34Å; Y22-T26 WeakPolarHBondContact CE1-OG1 3.42Å; Y22-T26 HydrophobicContact CE2-CG2 3.75Å; Y22-T26 HydrophobicContact CG-CG2 4.41Å; Y22-T26 WeakPolarHBondContact O-CB 3.42Å; Y22-T26 WeakPolarHBondContact O-CG2 3.29Å; Y22-T26 PolarHBondContact O-N 3.5Å; Y22-T26 PolarHBondContact O-OG1 3.23Å; Y22-Y404 HydrophobicContact CD1-CE1 4.24Å; Y22-Y404 AromaticContact CD1-CZ 3.99Å; Y22-Y404 VanDerWaalsContact CD1-OH 3.31Å; Y22-Y404 WeakPolarHBondContact CD1-OH 3.43Å; Y22-Y404 AromaticContact CE1-CE1 3.86Å; Y22-Y404 HydrophobicContact CE1-CE1 3.86Å; Y22-Y404 AromaticContact CE1-CZ 3.91Å; Y22-Y404 WeakPolarHBondContact CE1-OH 3.21Å; Y22-L417 HydrophobicContact CD2-CD1 4.13Å; Y22-L417 HydrophobicContact CE2-CB 3.5Å; Y22-L417 VanDerWaalsContact CE2-CB 3.5Å; Y22-L417 HydrophobicContact CE2-CD1 3.47Å; Y22-L417 VanDerWaalsContact CE2-CD1 3.47Å; Y22-L417 HydrophobicContact CE2-CG 4.05Å
23S67.7Low69.9Low30 Ų3089.6 Ų89.621%0.2144%0.438CS..Hα-helixtrans-63.1-45.9-178.9-61.20000108.8V19 W20 V21 I25 F27 Y404V19-S23 WeakPolarHBondContact O-CB 3.37Å; V19-S23 PolarHBondContact O-N 3.41Å; V19-S23 PolarHBondContact O-OG 3.29Å; W20-S23 PolarHBondContact O-N 2.98Å; V21-S23 PolarHBondContact O-N 2.86Å; S23-I25 PolarHBondContact O-N 3.11Å; S23-F27 WeakPolarHBondContact O-CA 3.16Å; S23-F27 WeakPolarHBondContact O-CB 3.43Å; S23-F27 PolarHBondContact O-N 3.23Å; S23-Y404 PolarHBondContact OG-OH 3.37Å
24V70.6Confident69.6Low70 Ų7085.1 Ų85.142%0.42442%0.421SS..Hα-helixtrans-60.6-45.8177.4173.40000112.3W20 V21 Y22W20-V24 HydrophobicContact CD2-CG2 4.24Å; W20-V24 HydrophobicContact CH2-CG2 4.44Å; W20-V24 HydrophobicContact CZ2-CG2 4.13Å; W20-V24 WeakPolarHBondContact O-CG2 3.45Å; W20-V24 PolarHBondContact O-N 2.67Å; V21-V24 PolarHBondContact O-N 2.85Å; Y22-V24 VanDerWaalsContact C-N 3.35Å
25I69.8Low69Low113 Ų11382.3 Ų82.358%0.57941%0.41SS*.Hα-helixtrans-70.4-40.5-177.4-67.7171.7000112.1V21 Y22 S23 P29V21-I25 HydrophobicContact CG1-CD1 3.53Å; V21-I25 HydrophobicContact CG1-CG1 4.34Å; V21-I25 WeakPolarHBondContact O-CB 3.49Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.35Å; V21-I25 PolarHBondContact O-N 2.8Å; Y22-I25 PolarHBondContact O-N 3.1Å; S23-I25 PolarHBondContact O-N 3.11Å; I25-P29 WeakPolarHBondContact O-CD 3.48Å; I25-P29 WeakPolarHBondContact O-CG 3.34Å
26T66.4Low68.6Low32 Ų3280.4 Ų80.420%0.19640%0.401CS..Hα-helixtrans-88.2-31.9-175.159.10000112.6Y22 W30 L417Y22-T26 HydrophobicContact CD2-CG2 3.99Å; Y22-T26 HydrophobicContact CE1-CG2 4.34Å; Y22-T26 WeakPolarHBondContact CE1-OG1 3.42Å; Y22-T26 HydrophobicContact CE2-CG2 3.75Å; Y22-T26 HydrophobicContact CG-CG2 4.41Å; Y22-T26 WeakPolarHBondContact O-CB 3.42Å; Y22-T26 WeakPolarHBondContact O-CG2 3.29Å; Y22-T26 PolarHBondContact O-N 3.5Å; Y22-T26 PolarHBondContact O-OG1 3.23Å; T26-W30 WeakPolarHBondContact O-CB 3.41Å; T26-W30 PolarHBondContact O-N 2.85Å; T26-L417 HydrophobicContact CG2-CD1 3.73Å
27F66Low68.1Low72 Ų7274.2 Ų74.232%0.31639%0.387SS..Hα-helixtrans-66.9-45-174.3179.6-101.2000112.7S23 W30 Y31 Y413S23-F27 WeakPolarHBondContact O-CA 3.16Å; S23-F27 WeakPolarHBondContact O-CB 3.43Å; S23-F27 PolarHBondContact O-N 3.23Å; F27-W30 PolarHBondContact O-N 2.96Å; F27-Y31 HydrophobicContact CE2-CD2 4.23Å; F27-Y31 AromaticContact CZ-CD2 3.89Å; F27-Y31 HydrophobicContact CZ-CD2 3.89Å; F27-Y31 HydrophobicContact CZ-CG 4.35Å; F27-Y31 WeakPolarHBondContact O-CB 3.36Å; F27-Y31 PolarHBondContact O-N 3.41Å; F27-Y413 HydrophobicContact CD2-CE2 4.43Å; F27-Y413 HydrophobicContact CE2-CD2 4.33Å; F27-Y413 HydrophobicContact CE2-CE1 4.26Å; F27-Y413 AromaticContact CE2-CE2 3.68Å; F27-Y413 HydrophobicContact CE2-CE2 3.68Å; F27-Y413 AromaticContact CE2-CZ 3.62Å
28L66.1Low68Low102 Ų10274.2 Ų74.253%0.53438%0.384SS..Hα-helixtrans-64.1-53.1-176.5-76.7168.9000112.1W30 F32L28-W30 PolarHBondContact O-N 2.71Å; L28-F32 VanDerWaalsContact O-CD2 3.25Å; L28-F32 WeakPolarHBondContact O-CD2 3.46Å
29P66.9Low67.9Low69 Ų6971.7 Ų71.745%0.44837%0.368SS..Hα-helixtrans-60.3-46.8174.3-20.631.9000111.5I25 Y31 F32 F33I25-P29 WeakPolarHBondContact O-CD 3.48Å; I25-P29 WeakPolarHBondContact O-CG 3.34Å; P29-Y31 PolarHBondContact O-N 3.03Å; P29-F32 PolarHBondContact O-N 3.09Å; P29-F33 HydrophobicContact CB-CD2 4.44Å; P29-F33 WeakPolarHBondContact O-CD2 3.44Å; P29-F33 PolarHBondContact O-N 3.16Å; P29-F33 VanDerWaalsContact O-N 3.08Å
30W67.1Low68.1Low42 Ų4272.3 Ų72.316%0.15937%0.37CS..Hα-helixtrans-63.5-43.1-176.5-179.782000112.6T26 F27 L28 F32 F33 S34 A36 Y413 S414T26-W30 WeakPolarHBondContact O-CB 3.41Å; T26-W30 PolarHBondContact O-N 2.85Å; F27-W30 PolarHBondContact O-N 2.96Å; L28-W30 PolarHBondContact O-N 2.71Å; W30-F32 VanDerWaalsContact C-N 3.31Å; W30-F32 PolarHBondContact O-N 2.98Å; W30-F33 PolarHBondContact O-N 3.18Å; W30-S34 VanDerWaalsContact CD2-OG 3.31Å; W30-S34 WeakPolarHBondContact CH2-OG 3.45Å; W30-S34 VanDerWaalsContact CZ2-OG 3.23Å; W30-S34 WeakPolarHBondContact CZ2-OG 3.31Å; W30-S34 VanDerWaalsContact NE1-CB 3.27Å; W30-S34 WeakPolarHBondContact O-CA 3.39Å; W30-S34 WeakPolarHBondContact O-CB 3.36Å; W30-S34 PolarHBondContact O-N 2.99Å; W30-S34 PolarHBondContact O-OG 3.32Å; W30-A36 HydrophobicContact CE3-CB 4.21Å; W30-A36 HydrophobicContact CH2-CB 3.19Å; W30-A36 HydrophobicContact CZ2-CB 4.23Å; W30-A36 HydrophobicContact CZ3-CB 3.23Å; W30-Y413 AromaticContact CH2-CD1 3.4Å; W30-Y413 HydrophobicContact CH2-CD1 3.4Å; W30-Y413 VanDerWaalsContact CH2-CD1 3.4Å; W30-Y413 HydrophobicContact CH2-CE1 4.35Å; W30-Y413 AromaticContact CH2-CG 3.88Å; W30-Y413 HydrophobicContact CH2-CG 3.88Å; W30-Y413 AromaticContact CZ3-CD1 3.25Å; W30-Y413 HydrophobicContact CZ3-CD1 3.25Å; W30-Y413 AromaticContact CZ3-CE1 3.93Å; W30-Y413 HydrophobicContact CZ3-CE1 3.93Å; W30-Y413 AromaticContact CZ3-CG 3.65Å; W30-Y413 HydrophobicContact CZ3-CG 3.65Å; W30-S414 VanDerWaalsContact CE2-OG 3.26Å; W30-S414 PolarHBondContact NE1-OG 3.3Å
31Y66.9Low68.5Low103 Ų10370.3 Ų70.340%0.40437%0.368SS..Hα-helixtrans-57.7-42.8-179.6-177.9-94.9000111.9F27 P29 A36F27-Y31 HydrophobicContact CE2-CD2 4.23Å; F27-Y31 AromaticContact CZ-CD2 3.89Å; F27-Y31 HydrophobicContact CZ-CD2 3.89Å; F27-Y31 HydrophobicContact CZ-CG 4.35Å; F27-Y31 WeakPolarHBondContact O-CB 3.36Å; F27-Y31 PolarHBondContact O-N 3.41Å; P29-Y31 PolarHBondContact O-N 3.03Å; Y31-A36 HydrophobicContact CD2-CB 3.99Å; Y31-A36 HydrophobicContact CE2-CB 4.42Å
32F66.6Low68.9Low165 Ų16572 Ų7272%0.72437%0.367SS*.Hα-helixtrans-74.6-32.1177.5-73.8-72.3000113.4L28 P29 W30L28-F32 VanDerWaalsContact O-CD2 3.25Å; L28-F32 WeakPolarHBondContact O-CD2 3.46Å; P29-F32 PolarHBondContact O-N 3.09Å; W30-F32 VanDerWaalsContact C-N 3.31Å; W30-F32 PolarHBondContact O-N 2.98Å
33F65.8Low69.4Low190 Ų19070.9 Ų70.983%0.83337%0.366SS*.Hα-helixtrans-93.2-17.4-177.4-71.2-64.3000115.3P29 W30P29-F33 HydrophobicContact CB-CD2 4.44Å; P29-F33 WeakPolarHBondContact O-CD2 3.44Å; P29-F33 PolarHBondContact O-N 3.16Å; P29-F33 VanDerWaalsContact O-N 3.08Å; W30-F33 PolarHBondContact O-N 3.18Å
34S63.2Low70.2Confident33 Ų3378.4 Ų78.423%0.23139%0.39CS..Hα-helixtrans-101.8-12.3-167.465.30000116.2W30 A36W30-S34 VanDerWaalsContact CD2-OG 3.31Å; W30-S34 WeakPolarHBondContact CH2-OG 3.45Å; W30-S34 VanDerWaalsContact CZ2-OG 3.23Å; W30-S34 WeakPolarHBondContact CZ2-OG 3.31Å; W30-S34 VanDerWaalsContact NE1-CB 3.27Å; W30-S34 WeakPolarHBondContact O-CA 3.39Å; W30-S34 WeakPolarHBondContact O-CB 3.36Å; W30-S34 PolarHBondContact O-N 2.99Å; W30-S34 PolarHBondContact O-OG 3.32Å; S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact OG-N 3.11Å
35G63.1Low71.2Confident29 Ų2980.5 Ų80.530%0.29939%0.39SS..THydrogen-bonded Turntrans65.330.6-170.700000113.2G37 T38 N39G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.42Å; G35-T38 PolarHBondContact O-N 3.34Å; G35-T38 VanDerWaalsContact O-N 3.12Å; G35-T38 PolarHBondContact O-OG1 2.81Å; G35-N39 PolarHBondContact O-N 3.09Å; G35-N39 PolarHBondContact O-ND2 3.31Å
36A63.7Low72.2Confident0 Ų080 Ų800%039%0.387CS..Hα-helixtrans-49-48.4-178.700000114.2W30 Y31 S34 N39 L40 Y413W30-A36 HydrophobicContact CE3-CB 4.21Å; W30-A36 HydrophobicContact CH2-CB 3.19Å; W30-A36 HydrophobicContact CZ2-CB 4.23Å; W30-A36 HydrophobicContact CZ3-CB 3.23Å; Y31-A36 HydrophobicContact CD2-CB 3.99Å; Y31-A36 HydrophobicContact CE2-CB 4.42Å; S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact OG-N 3.11Å; A36-N39 PolarHBondContact O-N 2.92Å; A36-L40 PolarHBondContact O-N 2.83Å; A36-L40 VanDerWaalsContact O-N 3.15Å; A36-Y413 HydrophobicContact CB-CD1 3.92Å; A36-Y413 HydrophobicContact CB-CE1 3.87Å
37G64.4Low73.5Confident29 Ų2978.6 Ų78.630%0.29938%0.379SS..Hα-helixtrans-62.7-44.4178.400000112.3G35 N39 L40 E41G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.42Å; G37-N39 VanDerWaalsContact C-N 3.35Å; G37-N39 PolarHBondContact O-N 3.27Å; G37-L40 PolarHBondContact O-N 2.68Å; G37-E41 WeakPolarHBondContact O-CG 3.39Å; G37-E41 PolarHBondContact O-N 2.69Å
38T72.6Confident74.9Confident67 Ų6775.3 Ų75.341%0.41137%0.365SS..Hα-helixtrans-68.9-32.7-179.757.80000112.2G35 R42G35-T38 PolarHBondContact O-N 3.34Å; G35-T38 VanDerWaalsContact O-N 3.12Å; G35-T38 PolarHBondContact O-OG1 2.81Å; T38-R42 WeakPolarHBondContact O-CB 3.47Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 2.84Å
39N72.7Confident76.3Confident40 Ų4072 Ų7221%0.21435%0.35CS..Hα-helixtrans-67.7-40.4174-69.9-26.7000112.3G35 A36 G37 R42 A43G35-N39 PolarHBondContact O-N 3.09Å; G35-N39 PolarHBondContact O-ND2 3.31Å; A36-N39 PolarHBondContact O-N 2.92Å; G37-N39 VanDerWaalsContact C-N 3.35Å; G37-N39 PolarHBondContact O-N 3.27Å; N39-R42 PolarHBondContact O-N 3.27Å; N39-A43 WeakPolarHBondContact O-CB 3.47Å; N39-A43 PolarHBondContact O-N 2.77Å
40L75.4Confident77.6Confident38 Ų3869.7 Ų69.720%0.19934%0.335CS..Hα-helixtrans-67.6-40.1176.2-174.663.7000111.8A36 G37 A43 R44A36-L40 PolarHBondContact O-N 2.83Å; A36-L40 VanDerWaalsContact O-N 3.15Å; G37-L40 PolarHBondContact O-N 2.68Å; L40-A43 PolarHBondContact O-N 3.21Å; L40-R44 WeakPolarHBondContact O-CG 3.47Å; L40-R44 PolarHBondContact O-N 2.86Å
41E80.1Confident78.7Confident138 Ų13870.5 Ų70.565%0.64534%0.342SS*.Hα-helixtrans-60.7-45.2172-73.3173.1176.500111.3G37 A43 R44 R45G37-E41 WeakPolarHBondContact O-CG 3.39Å; G37-E41 PolarHBondContact O-N 2.69Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.32Å; E41-R44 PolarHBondContact O-N 3.27Å; E41-R45 PolarHBondContact O-N 2.82Å
42R81.3Confident79.8Confident108 Ų10868.3 Ų68.341%0.40834%0.342SS..Hα-helixtrans-60-39.1173.9-75.7170.7-176.6-169.21.4112.5T38 N39 R45 W479T38-R42 WeakPolarHBondContact O-CB 3.47Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 2.84Å; N39-R42 PolarHBondContact O-N 3.27Å; R42-R45 WeakPolarHBondContact O-CD 3.41Å; R42-R45 WeakPolarHBondContact O-CG 3.35Å; R42-W479 HydrophobicContact CB-CB 4.3Å; R42-W479 HydrophobicContact CB-CG 4.15Å
43A81.4Confident80.8Confident19 Ų1963.6 Ų63.616%0.15734%0.34CS..Hα-helixtrans-66.7-37.817800000112.3N39 L40 E41 K47 W479N39-A43 WeakPolarHBondContact O-CB 3.47Å; N39-A43 PolarHBondContact O-N 2.77Å; L40-A43 PolarHBondContact O-N 3.21Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.32Å; A43-K47 WeakPolarHBondContact O-CE 3.43Å; A43-K47 PolarHBondContact O-NZ 3.35Å; A43-W479 VanDerWaalsContact CB-O 3.22Å; A43-W479 WeakPolarHBondContact CB-O 3.29Å
44R84.6Confident82.1Confident188 Ų18860.4 Ų60.471%0.70933%0.327SS*.Hα-helixtrans-87.3-12-176.1-69.5179.9179-178.70.6114.6L40 E41L40-R44 WeakPolarHBondContact O-CG 3.47Å; L40-R44 PolarHBondContact O-N 2.86Å; E41-R44 PolarHBondContact O-N 3.27Å
45R90.3Very high83.4Confident114 Ų11461.6 Ų61.643%0.4333%0.334SS..SBendtrans-60.3154.2179.380.8-169.4172.9156.92.7111.8E41 R42 K47 E477E41-R45 PolarHBondContact O-N 2.82Å; R42-R45 WeakPolarHBondContact O-CD 3.41Å; R42-R45 WeakPolarHBondContact O-CG 3.35Å; R45-K47 HydrophobicContact CG-CG 4.29Å; R45-K47 WeakPolarHBondContact O-CG 3.34Å; R45-K47 PolarHBondContact O-N 3.2Å; R45-K47 PolarHBondContact O-NZ 3.47Å; R45-K47 VanDerWaalsContact O-NZ 3.14Å; R45-E477 IonicContact CZ-OE2 2.75Å; R45-E477 IonicContact NE-OE2 3.62Å; R45-E477 PolarHBondContact NE-OE2 2.99Å; R45-E477 IonicContact NH2-OE1 2.68Å; R45-E477 IonicContact NH2-OE2 3.63Å; R45-E477 PolarHBondContact NH2-OE2 2.93Å
46I92.1Very high84.8Confident101 Ų10161.3 Ų61.352%0.51833%0.329SS..  trans-66125.4164.7-60.4174.2000107.6A48 V62I46-A48 VanDerWaalsContact CG2-O 3.22Å; I46-A48 WeakPolarHBondContact CG2-O 3.49Å; I46-V62 HydrophobicContact CG2-CG2 4.1Å
47K94.3Very high86.2Confident4 Ų461.7 Ų61.72%0.01733%0.332CS..  trans-102.4-29.8-174.8-59170.7-167.163.90111.5A43 R45 A61 V62 E477 D480 A488 D560A43-K47 WeakPolarHBondContact O-CE 3.43Å; A43-K47 PolarHBondContact O-NZ 3.35Å; R45-K47 HydrophobicContact CG-CG 4.29Å; R45-K47 WeakPolarHBondContact O-CG 3.34Å; R45-K47 PolarHBondContact O-N 3.2Å; R45-K47 PolarHBondContact O-NZ 3.47Å; R45-K47 VanDerWaalsContact O-NZ 3.14Å; K47-A61 WeakPolarHBondContact O-CA 3.44Å; K47-V62 PolarHBondContact O-N 3.42Å; K47-E477 HydrophobicContact CD-CG 4.26Å; K47-E477 WeakPolarHBondContact CG-OE1 3.04Å; K47-D480 IonicContact NZ-OD2 3.46Å; K47-A488 HydrophobicContact CB-CB 3.63Å; K47-D560 PolarHBondContact N-O 3.15Å; K47-D560 IonicContact NZ-OD2 3.19Å; K47-D560 PolarHBondContact NZ-OD2 2.95Å
48A95.1Very high87.6Confident2 Ų261.9 Ų61.92%0.01733%0.329CS..EExtended strand (participates in β ladder)trans-145.4156.2171.800000111.4I46 R60 A488 P489 D560 G561I46-A48 VanDerWaalsContact CG2-O 3.22Å; I46-A48 WeakPolarHBondContact CG2-O 3.49Å; A48-R60 CarbonylContact C-O 3.57Å; A48-R60 WeakPolarHBondContact CA-O 3.28Å; A48-R60 WeakPolarHBondContact CB-O 3.43Å; A48-A488 HydrophobicContact CB-CB 4Å; A48-P489 HydrophobicContact CB-CG 4.21Å; A48-D560 PolarHBondContact N-O 3.26Å; A48-G561 VanDerWaalsContact O-CA 3.3Å; A48-G561 WeakPolarHBondContact O-CA 3.21Å
49C93.8Very high88.7Confident34 Ų3459.9 Ų59.923%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-140.9155.4176.961.40000111.4I51 Y59 R60C49-I51 PolarHBondContact O-N 2.8Å; C49-Y59 WeakPolarHBondContact O-CA 3.28Å; C49-R60 PolarHBondContact N-O 2.92Å; C49-R60 PolarHBondContact O-N 3.06Å
50S94.4Very high89.9Confident20 Ų2059.9 Ų59.914%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-68.9122.4171.2177.40000109.7S52 G53 H54 G57 P58S50-S52 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact OG-OG 2.95Å; S50-G53 PolarHBondContact O-N 3.05Å; S50-G53 PolarHBondContact OG-N 3.34Å; S50-H54 VanDerWaalsContact CB-O 3.28Å; S50-H54 WeakPolarHBondContact CB-O 3.14Å; S50-H54 PolarHBondContact OG-N 3.19Å; S50-H54 PolarHBondContact OG-O 3.17Å; S50-G57 WeakPolarHBondContact OG-CA 3.21Å; S50-P58 CarbonylContact C-O 3.6Å; S50-P58 WeakPolarHBondContact CA-O 3.35Å
51I91.9Very high90.8Very high58 Ų5858.1 Ų58.130%0.29730%0.302SS..SBendtrans-70.8-33.5179.9-58.8-57.7000111.3C49 P58 R60 R65C49-I51 PolarHBondContact O-N 2.8Å; I51-P58 HydrophobicContact CB-CG 4.47Å; I51-P58 PolarHBondContact N-O 3.34Å; I51-R60 HydrophobicContact CD1-CB 3.96Å; I51-R60 HydrophobicContact CD1-CG 4.2Å; I51-R60 HydrophobicContact CG1-CB 4.04Å; I51-R60 HydrophobicContact CG1-CG 3.78Å; I51-R65 HydrophobicContact CD1-CB 4.37Å; I51-R65 HydrophobicContact CD1-CG 3.29Å
52S89.2Confident91.4Very high58 Ų5855 Ų5541%0.40629%0.292SS..SBendtrans-82.9-15.3179.267.70000113S50 H54 G57S50-S52 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact OG-OG 2.95Å; S52-H54 PolarHBondContact O-N 2.9Å; S52-H54 WeakPolarHBondContact OG-CB 3.34Å; S52-H54 PolarHBondContact OG-N 3.2Å; S52-H54 VanDerWaalsContact OG-N 3.08Å; S52-G57 PolarHBondContact OG-O 3.43Å
53G87.9Confident91.7Very high65 Ų6554.3 Ų54.367%0.6730%0.296SS*.SBendtrans78.6-5.8-169.100000113.9S50S50-G53 PolarHBondContact O-N 3.05Å; S50-G53 PolarHBondContact OG-N 3.34Å
54H92.3Very high92.2Very high124 Ų12453.8 Ų53.857%0.57429%0.292SS*.SBendtrans-79.6144175.6-67.3-66.9000111.7S50 S52 A56 G57S50-H54 VanDerWaalsContact CB-O 3.28Å; S50-H54 WeakPolarHBondContact CB-O 3.14Å; S50-H54 PolarHBondContact OG-N 3.19Å; S50-H54 PolarHBondContact OG-O 3.17Å; S52-H54 PolarHBondContact O-N 2.9Å; S52-H54 WeakPolarHBondContact OG-CB 3.34Å; S52-H54 PolarHBondContact OG-N 3.2Å; S52-H54 VanDerWaalsContact OG-N 3.08Å; H54-A56 PolarHBondContact O-N 2.89Å; H54-G57 PolarHBondContact O-N 3.1Å
55P91.1Very high92.3Very high58 Ų5851.4 Ų51.438%0.37728%0.283SS..THydrogen-bonded Turntrans-57.8-27.1175.8-27.736.6000114.7G57 Y59 S507 P513P55-G57 VanDerWaalsContact C-N 3.26Å; P55-G57 PolarHBondContact O-N 3.45Å; P55-Y59 WeakPolarHBondContact O-CE2 3.48Å; P55-Y59 PolarHBondContact O-OH 2.68Å; P55-Y59 VanDerWaalsContact O-OH 3.05Å; P55-S507 WeakPolarHBondContact CB-O 3.25Å; P55-P513 HydrophobicContact CB-CB 4.1Å
56A93.1Very high92.1Very high23 Ų2354.9 Ų54.919%0.1930%0.304CS..THydrogen-bonded Turntrans-71.3-17.5176.100000113.5H54 T496 L497H54-A56 PolarHBondContact O-N 2.89Å; A56-T496 CarbonylContact O-C 3.56Å; A56-T496 WeakPolarHBondContact O-CA 3.42Å; A56-T496 WeakPolarHBondContact O-CG2 3.23Å; A56-L497 PolarHBondContact O-N 2.7Å
57G91.5Very high92.1Very high7 Ų758.1 Ų58.17%0.07231%0.314CS..  trans98.2-160.5-171.900000113.1S50 S52 H54 P55S50-G57 WeakPolarHBondContact OG-CA 3.21Å; S52-G57 PolarHBondContact OG-O 3.43Å; H54-G57 PolarHBondContact O-N 3.1Å; P55-G57 VanDerWaalsContact C-N 3.26Å; P55-G57 PolarHBondContact O-N 3.45Å
58P94.1Very high92Very high34 Ų3459 Ų5922%0.22132%0.319CS..  cis-71.3137.67.927.9-34.9000112.7S50 I51 E494 I495 T496 W548S50-P58 CarbonylContact C-O 3.6Å; S50-P58 WeakPolarHBondContact CA-O 3.35Å; I51-P58 HydrophobicContact CB-CG 4.47Å; I51-P58 PolarHBondContact N-O 3.34Å; P58-E494 HydrophobicContact CB-CB 4.42Å; P58-I495 CarbonylContact C-O 3.54Å; P58-I495 WeakPolarHBondContact CA-O 3.29Å; P58-T496 WeakPolarHBondContact CA-OG1 3.5Å; P58-T496 WeakPolarHBondContact CB-OG1 3.37Å; P58-W548 HydrophobicContact CB-CH2 4.16Å
59Y96.8Very high91.9Very high25 Ų2561.5 Ų61.510%0.09833%0.333CS..EExtended strand (participates in β ladder)trans-89.2130.8173.7-72.9-99.1000110.6C49 P55 E494 I495 F557C49-Y59 WeakPolarHBondContact O-CA 3.28Å; P55-Y59 WeakPolarHBondContact O-CE2 3.48Å; P55-Y59 PolarHBondContact O-OH 2.68Å; P55-Y59 VanDerWaalsContact O-OH 3.05Å; Y59-E494 WeakPolarHBondContact O-CA 3.28Å; Y59-I495 PolarHBondContact N-O 3.04Å; Y59-I495 PolarHBondContact O-N 3.1Å; Y59-F557 HydrophobicContact CD1-CD1 4.04Å; Y59-F557 HydrophobicContact CD1-CD2 4.49Å; Y59-F557 HydrophobicContact CD1-CE1 4.14Å; Y59-F557 HydrophobicContact CD1-CG 4.23Å; Y59-F557 HydrophobicContact CD1-CZ 4.42Å; Y59-F557 HydrophobicContact CD2-CD1 4.46Å; Y59-F557 AromaticContact CD2-CD2 3.57Å; Y59-F557 HydrophobicContact CD2-CD2 3.57Å; Y59-F557 HydrophobicContact CD2-CE1 4.34Å; Y59-F557 AromaticContact CD2-CE2 3.42Å; Y59-F557 HydrophobicContact CD2-CE2 3.42Å; Y59-F557 VanDerWaalsContact CD2-CE2 3.42Å; Y59-F557 HydrophobicContact CD2-CG 4.12Å; Y59-F557 AromaticContact CD2-CZ 3.84Å; Y59-F557 HydrophobicContact CD2-CZ 3.84Å; Y59-F557 HydrophobicContact CE1-CB 4.23Å; Y59-F557 HydrophobicContact CE1-CD1 4.19Å; Y59-F557 HydrophobicContact CE1-CD2 4.41Å; Y59-F557 HydrophobicContact CE1-CG 4.04Å; Y59-F557 HydrophobicContact CE2-CB 4.38Å; Y59-F557 AromaticContact CE2-CD2 3.48Å; Y59-F557 HydrophobicContact CE2-CD2 3.48Å; Y59-F557 VanDerWaalsContact CE2-CD2 3.48Å; Y59-F557 AromaticContact CE2-CE2 3.85Å; Y59-F557 HydrophobicContact CE2-CE2 3.85Å; Y59-F557 AromaticContact CE2-CG 3.93Å; Y59-F557 HydrophobicContact CE2-CG 3.93Å; Y59-F557 HydrophobicContact CG-CD1 4.18Å; Y59-F557 HydrophobicContact CG-CD2 4.1Å; Y59-F557 AromaticContact CG-CE1 3.93Å; Y59-F557 HydrophobicContact CG-CE1 3.93Å; Y59-F557 AromaticContact CG-CE2 3.85Å; Y59-F557 HydrophobicContact CG-CE2 3.85Å; Y59-F557 HydrophobicContact CG-CG 4.27Å; Y59-F557 AromaticContact CG-CZ 3.77Å; Y59-F557 HydrophobicContact CG-CZ 3.77Å; Y59-F557 AromaticContact CZ-CD2 3.93Å; Y59-F557 AromaticContact CZ-CG 3.89Å
60R96.4Very high91.9Very high40 Ų4061.8 Ų61.815%0.15134%0.339CS..EExtended strand (participates in β ladder)trans-127.8153.1171.9-67.1-175.4-172.2178-7.6111.3A48 C49 I51 R65 E66 L68 E494A48-R60 CarbonylContact C-O 3.57Å; A48-R60 WeakPolarHBondContact CA-O 3.28Å; A48-R60 WeakPolarHBondContact CB-O 3.43Å; C49-R60 PolarHBondContact N-O 2.92Å; C49-R60 PolarHBondContact O-N 3.06Å; I51-R60 HydrophobicContact CD1-CB 3.96Å; I51-R60 HydrophobicContact CD1-CG 4.2Å; I51-R60 HydrophobicContact CG1-CB 4.04Å; I51-R60 HydrophobicContact CG1-CG 3.78Å; R60-R65 WeakPolarHBondContact CD-O 3.23Å; R60-R65 PolarHBondContact NH1-O 2.81Å; R60-R65 VanDerWaalsContact NH1-O 3.17Å; R60-E66 PolarHBondContact NH1-O 2.97Å; R60-L68 HydrophobicContact CG-CD2 4.37Å; R60-E494 HydrophobicContact CG-CB 3.7Å; R60-E494 IonicContact CZ-OE2 3.17Å; R60-E494 IonicContact NE-OE2 2.74Å; R60-E494 PolarHBondContact NE-OE2 3.12Å; R60-E494 IonicContact NH2-OE1 3.46Å; R60-E494 PolarHBondContact NH2-OE1 3.19Å; R60-E494 IonicContact NH2-OE2 2.74Å; R60-E494 PolarHBondContact NH2-OE2 3.37Å
61A94.8Very high91.8Very high1 Ų164.2 Ų64.21%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-58.5139.2171.800000110.8K47 N63 S64 R65 P489 V491K47-A61 WeakPolarHBondContact O-CA 3.44Å; A61-N63 WeakPolarHBondContact CB-OD1 3.28Å; A61-N63 PolarHBondContact O-N 2.97Å; A61-S64 CarbonylContact O-C 3.57Å; A61-S64 PolarHBondContact O-N 2.87Å; A61-R65 PolarHBondContact O-N 3.07Å; A61-P489 WeakPolarHBondContact CB-O 3.48Å; A61-V491 HydrophobicContact CB-CG1 4.17Å
62V92.4Very high91.4Very high73 Ų7363.9 Ų63.944%0.44235%0.35SS..G310 helixtrans-62.4-33.3-175.2172.70000112.1I46 K47 S64I46-V62 HydrophobicContact CG2-CG2 4.1Å; K47-V62 PolarHBondContact O-N 3.42Å; V62-S64 PolarHBondContact O-N 3.19Å
63N88.9Confident91.3Very high92 Ų9265 Ų6549%0.49235%0.349SS..G310 helixtrans-73.5-6175.659.5-18000114.2A61 E302 V491A61-N63 WeakPolarHBondContact CB-OD1 3.28Å; A61-N63 PolarHBondContact O-N 2.97Å; N63-E302 PolarHBondContact ND2-OE1 3.31Å; N63-E302 PolarHBondContact ND2-OE2 2.9Å; N63-V491 WeakPolarHBondContact ND2-CG1 3.14Å; N63-V491 WeakPolarHBondContact OD1-CG1 3.38Å
64S90.8Very high91.4Very high9 Ų967.5 Ų67.56%0.06335%0.353CS..G310 helixtrans-139.838.5-177.9-154.10000111.6A61 V62 E66 K67 V491A61-S64 CarbonylContact O-C 3.57Å; A61-S64 PolarHBondContact O-N 2.87Å; V62-S64 PolarHBondContact O-N 3.19Å; S64-E66 PolarHBondContact O-N 3.33Å; S64-K67 PolarHBondContact OG-O 3.48Å; S64-V491 PolarHBondContact OG-O 2.83Å
65R86.4Confident91.2Very high138 Ų13864.2 Ų64.252%0.52135%0.353SS..SBendtrans-63-44.8-172-165.7-178.1178.4179.8-2.2112.8I51 R60 A61I51-R65 HydrophobicContact CD1-CB 4.37Å; I51-R65 HydrophobicContact CD1-CG 3.29Å; R60-R65 WeakPolarHBondContact CD-O 3.23Å; R60-R65 PolarHBondContact NH1-O 2.81Å; R60-R65 VanDerWaalsContact NH1-O 3.17Å; A61-R65 PolarHBondContact O-N 3.07Å
66E87.3Confident91.4Very high187 Ų18762.2 Ų62.287%0.87434%0.34SS*.SBendtrans-79.4-41.8-172-62.8-178.9178.500112.4R60 S64R60-E66 PolarHBondContact NH1-O 2.97Å; S64-E66 PolarHBondContact O-N 3.33Å
67K90.6Very high91.6Very high169 Ų16963.1 Ų63.174%0.73534%0.341SS*.SBendtrans-141.9142.8-174.3-172.9177.2177.4179.40110.7S64S64-K67 PolarHBondContact OG-O 3.48Å
68L93.8Very high91.9Very high22 Ų2262.8 Ų62.812%0.11534%0.338CS..  trans-75.8141.9172-59.6-180000110.8R60 V491 E494R60-L68 HydrophobicContact CG-CD2 4.37Å; L68-V491 WeakPolarHBondContact CA-O 3.32Å; L68-E494 HydrophobicContact CD1-CG 4.26Å; L68-E494 HydrophobicContact CD2-CB 4.38Å
69V93.3Very high92.1Very high54 Ų5461.2 Ų61.233%0.32733%0.327SS..  trans-85123.1176.8-179.20000109.6L71 A298 V491 C492V69-L71 WeakPolarHBondContact CG1-O 3.18Å; V69-A298 HydrophobicContact CG1-CB 3.92Å; V69-V491 HydrophobicContact CB-CB 4.18Å; V69-V491 HydrophobicContact CB-CG2 3.85Å; V69-V491 HydrophobicContact CG1-CG2 4.49Å; V69-V491 HydrophobicContact CG2-CB 3.92Å; V69-V491 HydrophobicContact CG2-CG2 3.95Å; V69-V491 PolarHBondContact N-O 2.91Å; V69-C492 WeakPolarHBondContact O-CA 3.47Å; V69-C492 WeakPolarHBondContact O-CB 3.3Å
70A92.1Very high92.1Very high41 Ų4160.3 Ų60.334%0.33932%0.324SS..  trans-109.5-15.1179.300000113.6A295 P522A70-A295 VanDerWaalsContact O-CA 3.28Å; A70-A295 WeakPolarHBondContact O-CA 3.44Å; A70-A295 PolarHBondContact O-N 2.89Å; A70-P522 HydrophobicContact CB-CB 4.16Å; A70-P522 HydrophobicContact CB-CG 4.02Å
71L92.6Very high92.2Very high71 Ų7161.2 Ų61.237%0.37233%0.329SS..  trans-133.6143.2-172.1-59.1176.6000110.4V69 D77 I294V69-L71 WeakPolarHBondContact CG1-O 3.18Å; L71-D77 HydrophobicContact CD2-CB 3.8Å; L71-I294 HydrophobicContact CD2-CG2 3.81Å
72V83.9Confident92.3Very high50 Ų5061.4 Ų61.430%0.30333%0.33SS..SBendtrans-78-48.1169.9-174.70000110.2I297 A298V72-I297 HydrophobicContact CG2-CB 4.43Å; V72-I297 HydrophobicContact CG2-CG2 3.75Å; V72-A298 HydrophobicContact CG2-CB 3.82Å
73Q86.7Confident92.6Very high82 Ų8258.1 Ų58.138%0.38331%0.31SS..SBendtrans-127.2138.3-177.9-69.4-72.6-4.300109G75 V76 F85Q73-G75 PolarHBondContact O-N 3.16Å; Q73-V76 HydrophobicContact CB-CB 4.03Å; Q73-V76 HydrophobicContact CB-CG2 3.73Å; Q73-V76 PolarHBondContact O-N 3.15Å; Q73-V76 VanDerWaalsContact O-N 3.17Å; Q73-F85 HydrophobicContact CG-CE1 4.08Å; Q73-F85 HydrophobicContact CG-CZ 4.06Å
74P89.6Confident93Very high118 Ų11856.1 Ų56.177%0.76630%0.298SS*.THydrogen-bonded Turntrans-56.1132.5174.9-24.534.3000111.9V76P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.65Å
75G89.9Confident93.3Very high54 Ų5459 Ų5956%0.55731%0.309SS*.THydrogen-bonded Turntrans80-4.5179.900000115.7Q73 D77 K81Q73-G75 PolarHBondContact O-N 3.16Å; G75-D77 PolarHBondContact O-N 2.94Å; G75-K81 WeakPolarHBondContact O-CD 3.35Å
76V95.2Very high93.8Very high17 Ų1752.4 Ų52.410%0.10328%0.284CS..  trans-101.473.7176.2-173.20000109.1Q73 P74 K81 M82 F85Q73-V76 HydrophobicContact CB-CB 4.03Å; Q73-V76 HydrophobicContact CB-CG2 3.73Å; Q73-V76 PolarHBondContact O-N 3.15Å; Q73-V76 VanDerWaalsContact O-N 3.17Å; P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.65Å; V76-K81 HydrophobicContact CG1-CB 4.2Å; V76-M82 HydrophobicContact CG1-CB 3.67Å; V76-M82 HydrophobicContact CG1-CG 4.42Å; V76-F85 HydrophobicContact CG2-CB 4.4Å; V76-F85 HydrophobicContact CG2-CD2 4.42Å; V76-F85 HydrophobicContact CG2-CG 4.43Å
77D96.3Very high94.3Very high42 Ų4244 Ų4423%0.22525%0.246CC..  trans-101.11.1-171.558.94.9000114.2L71 G75 K81 P267L71-D77 HydrophobicContact CD2-CB 3.8Å; G75-D77 PolarHBondContact O-N 2.94Å; D77-K81 WeakPolarHBondContact OD1-CD 3.21Å; D77-K81 WeakPolarHBondContact OD1-CE 3Å; D77-K81 IonicContact OD1-NZ 3.22Å; D77-K81 PolarHBondContact OD1-NZ 2.88Å; D77-K81 IonicContact OD2-NZ 2.7Å; D77-P267 HydrophobicContact CB-CG 3.76Å
78T98Very high94.6Very high0 Ų044.7 Ų44.70%024%0.244CC..SBendtrans-140.4156.3-176.439.20000110.5D80 K81 M82 P265 P267 H290T78-D80 WeakPolarHBondContact CB-OD1 3.41Å; T78-D80 PolarHBondContact OG1-OD1 3.38Å; T78-D80 VanDerWaalsContact OG1-OD1 3.08Å; T78-K81 PolarHBondContact O-N 2.67Å; T78-K81 WeakPolarHBondContact OG1-CD 3.23Å; T78-K81 VanDerWaalsContact OG1-CE 3.25Å; T78-K81 WeakPolarHBondContact OG1-CE 3.43Å; T78-K81 VanDerWaalsContact OG1-CG 3.24Å; T78-K81 WeakPolarHBondContact OG1-CG 3.4Å; T78-M82 PolarHBondContact O-N 3.36Å; T78-P265 HydrophobicContact CG2-CB 4.47Å; T78-P265 HydrophobicContact CG2-CG 4.43Å; T78-P267 HydrophobicContact CG2-CG 4.1Å; T78-H290 HydrophobicContact CG2-CB 3.94Å
79L98.1Very high94.8Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-71.5-31.9-171.7-67.8168000112.7M82 F83 F171 A271 H290 L293 I294 I297 L329L79-M82 HydrophobicContact CD2-CE 3.82Å; L79-M82 PolarHBondContact O-N 2.97Å; L79-F83 PolarHBondContact O-N 3.07Å; L79-F171 HydrophobicContact CB-CB 4.01Å; L79-F171 HydrophobicContact CB-CD2 3.75Å; L79-F171 HydrophobicContact CB-CE2 4.45Å; L79-F171 HydrophobicContact CB-CG 3.9Å; L79-F171 HydrophobicContact CD1-CD1 3.93Å; L79-F171 HydrophobicContact CD1-CD2 3.77Å; L79-F171 HydrophobicContact CD1-CE1 3.91Å; L79-F171 HydrophobicContact CD1-CE2 3.75Å; L79-F171 HydrophobicContact CD1-CG 3.89Å; L79-F171 HydrophobicContact CD1-CZ 3.82Å; L79-F171 HydrophobicContact CG-CD2 4.36Å; L79-A271 HydrophobicContact CD1-CB 3.83Å; L79-H290 PolarHBondContact N-ND1 3.27Å; L79-L293 HydrophobicContact CD1-CB 4.32Å; L79-L293 HydrophobicContact CD1-CD1 3.71Å; L79-L293 HydrophobicContact CD2-CB 4.1Å; L79-I294 HydrophobicContact CD2-CD1 3.96Å; L79-I294 HydrophobicContact CD2-CG1 4.35Å; L79-I297 HydrophobicContact CD2-CD1 4Å; L79-L329 HydrophobicContact CD2-CD1 4.12Å; L79-L329 HydrophobicContact CD2-CD2 4.36Å
80D97.2Very high95Very high6 Ų649.7 Ų49.73%0.03226%0.256CS..Hα-helixtrans-66.7-45174.268.1-46.2000111.4T78 M82 F83 E84 M172 P265T78-D80 WeakPolarHBondContact CB-OD1 3.41Å; T78-D80 PolarHBondContact OG1-OD1 3.38Å; T78-D80 VanDerWaalsContact OG1-OD1 3.08Å; D80-M82 VanDerWaalsContact C-N 3.27Å; D80-M82 PolarHBondContact O-N 3.02Å; D80-F83 PolarHBondContact O-N 3.41Å; D80-E84 WeakPolarHBondContact O-CB 3.34Å; D80-E84 PolarHBondContact O-N 2.96Å; D80-M172 HydrophobicContact CB-CB 4.43Å; D80-M172 HydrophobicContact CB-CG 4.06Å; D80-P265 HydrophobicContact CB-CG 4.24Å; D80-P265 WeakPolarHBondContact OD1-CG 3.34Å; D80-P265 WeakPolarHBondContact OD2-CD 3.5Å
81K97.7Very high95.3Very high59 Ų5949.7 Ų49.726%0.25725%0.253SS..Hα-helixtrans-61.6-37.8173.3-65.9-178.6-161.4167.20111.2G75 V76 D77 T78 F85G75-K81 WeakPolarHBondContact O-CD 3.35Å; V76-K81 HydrophobicContact CG1-CB 4.2Å; D77-K81 WeakPolarHBondContact OD1-CD 3.21Å; D77-K81 WeakPolarHBondContact OD1-CE 3Å; D77-K81 IonicContact OD1-NZ 3.22Å; D77-K81 PolarHBondContact OD1-NZ 2.88Å; D77-K81 IonicContact OD2-NZ 2.7Å; T78-K81 PolarHBondContact O-N 2.67Å; T78-K81 WeakPolarHBondContact OG1-CD 3.23Å; T78-K81 VanDerWaalsContact OG1-CE 3.25Å; T78-K81 WeakPolarHBondContact OG1-CE 3.43Å; T78-K81 VanDerWaalsContact OG1-CG 3.24Å; T78-K81 WeakPolarHBondContact OG1-CG 3.4Å; K81-F85 VanDerWaalsContact O-CB 3.24Å; K81-F85 WeakPolarHBondContact O-CB 3.42Å; K81-F85 PolarHBondContact O-N 3.13Å
82M97.9Very high95.6Very high6 Ų652.6 Ų52.63%0.0327%0.269CS..Hα-helixtrans-63.8-46.8177.4179.2-88.1-71.400111.6V76 T78 L79 D80 F85 A86 I294 I297 L329 I332 S333V76-M82 HydrophobicContact CG1-CB 3.67Å; V76-M82 HydrophobicContact CG1-CG 4.42Å; T78-M82 PolarHBondContact O-N 3.36Å; L79-M82 HydrophobicContact CD2-CE 3.82Å; L79-M82 PolarHBondContact O-N 2.97Å; D80-M82 VanDerWaalsContact C-N 3.27Å; D80-M82 PolarHBondContact O-N 3.02Å; M82-F85 PolarHBondContact O-N 3.35Å; M82-A86 PolarHBondContact O-N 3.44Å; M82-I294 HydrophobicContact CB-CD1 3.86Å; M82-I294 HydrophobicContact CG-CD1 4.28Å; M82-I297 HydrophobicContact CE-CD1 4.12Å; M82-L329 HydrophobicContact CE-CB 4.3Å; M82-L329 HydrophobicContact CE-CD2 3.82Å; M82-I332 HydrophobicContact SD-CG2 4.15Å; M82-S333 VanDerWaalsContact SD-CB 3.57Å
83F97.8Very high96.2Very high4 Ų456.3 Ų56.32%0.01828%0.277CS..Hα-helixtrans-71.3-37.2179-172.5-144.7000112.4L79 D80 A86 A87 Y128 A131 Y132 A135 Q168 M172 I332L79-F83 PolarHBondContact O-N 3.07Å; D80-F83 PolarHBondContact O-N 3.41Å; F83-A86 PolarHBondContact O-N 2.99Å; F83-A87 VanDerWaalsContact O-CB 3.31Å; F83-A87 WeakPolarHBondContact O-CB 3.36Å; F83-A87 PolarHBondContact O-N 3.15Å; F83-Y128 HydrophobicContact CE2-CD1 4.25Å; F83-A131 HydrophobicContact CZ-CB 4.11Å; F83-Y132 AromaticContact CD1-CD2 3.93Å; F83-Y132 HydrophobicContact CD1-CD2 3.93Å; F83-Y132 HydrophobicContact CE1-CD2 4.05Å; F83-Y132 HydrophobicContact CG-CD2 4.35Å; F83-A135 HydrophobicContact CE1-CB 4.13Å; F83-Q168 HydrophobicContact CD1-CB 3.69Å; F83-Q168 HydrophobicContact CD1-CG 3.63Å; F83-Q168 HydrophobicContact CE1-CB 3.72Å; F83-Q168 HydrophobicContact CE1-CG 3.7Å; F83-Q168 HydrophobicContact CG-CG 4.22Å; F83-Q168 HydrophobicContact CZ-CG 4.34Å; F83-M172 HydrophobicContact CD1-CE 3.35Å; F83-M172 HydrophobicContact CE1-CE 3.67Å; F83-M172 HydrophobicContact CG-CE 4.48Å; F83-I332 HydrophobicContact CD2-CG2 3.64Å; F83-I332 HydrophobicContact CE2-CG2 4.13Å
84E97.3Very high96.8Very high50 Ų5055 Ų5523%0.23427%0.273CS..Hα-helixtrans-60.9-43.5171.9-177177.2-157.100111.9D80 A87 R88 Y132D80-E84 WeakPolarHBondContact O-CB 3.34Å; D80-E84 PolarHBondContact O-N 2.96Å; E84-A87 PolarHBondContact O-N 3.4Å; E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.41Å; E84-R88 PolarHBondContact O-N 3.25Å; E84-R88 IonicContact OE1-CZ 2.87Å; E84-R88 IonicContact OE1-NE 2.64Å; E84-R88 IonicContact OE1-NH1 3.68Å; E84-R88 IonicContact OE1-NH2 2.72Å; E84-R88 PolarHBondContact OE1-NH2 3.49Å; E84-Y132 HydrophobicContact CB-CE2 3.81Å; E84-Y132 HydrophobicContact CG-CE2 4.23Å
85F97.3Very high97.2Very high69 Ų6949.4 Ų49.430%0.30324%0.237SC..Hα-helixtrans-60.1-47.5175.1176.6-91.8000111.4Q73 V76 K81 M82 R88 R89Q73-F85 HydrophobicContact CG-CE1 4.08Å; Q73-F85 HydrophobicContact CG-CZ 4.06Å; V76-F85 HydrophobicContact CG2-CB 4.4Å; V76-F85 HydrophobicContact CG2-CD2 4.42Å; V76-F85 HydrophobicContact CG2-CG 4.43Å; K81-F85 VanDerWaalsContact O-CB 3.24Å; K81-F85 WeakPolarHBondContact O-CB 3.42Å; K81-F85 PolarHBondContact O-N 3.13Å; M82-F85 PolarHBondContact O-N 3.35Å; F85-R88 PolarHBondContact O-N 2.94Å; F85-R89 WeakPolarHBondContact O-CB 3.25Å; F85-R89 PolarHBondContact O-N 3.47Å
86A97.3Very high97.6Very high0 Ų047 Ų470%021%0.211CC..Hα-helixtrans-62.7-45177.900000111.9M82 F83 R88 R89 F90 Y128 I332M82-A86 PolarHBondContact O-N 3.44Å; F83-A86 PolarHBondContact O-N 2.99Å; A86-R88 PolarHBondContact O-N 3.04Å; A86-R89 PolarHBondContact O-N 2.93Å; A86-F90 WeakPolarHBondContact O-CD2 3.45Å; A86-F90 PolarHBondContact O-N 3.05Å; A86-Y128 HydrophobicContact CB-CD1 4.19Å; A86-Y128 HydrophobicContact CB-CE1 3.85Å; A86-I332 WeakPolarHBondContact CB-O 3.35Å
87A97.8Very high97.8Very high9 Ų946.1 Ų46.17%0.07421%0.206CC..Hα-helixtrans-63.7-37.9179.500000112.9F83 E84 P91 Y132F83-A87 VanDerWaalsContact O-CB 3.31Å; F83-A87 WeakPolarHBondContact O-CB 3.36Å; F83-A87 PolarHBondContact O-N 3.15Å; E84-A87 PolarHBondContact O-N 3.4Å; A87-P91 VanDerWaalsContact O-CA 3.25Å; A87-P91 WeakPolarHBondContact O-CA 3.33Å; A87-P91 WeakPolarHBondContact O-CB 3.44Å; A87-Y132 HydrophobicContact CB-CD2 3.8Å; A87-Y132 HydrophobicContact CB-CG 3.8Å
88R97.8Very high97.8Very high185 Ų18546.7 Ų46.770%0.69821%0.211SC*.Hα-helixtrans-70.3-34.8174.3-74.7178.7174.4165.14.4113E84 F85 A86E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.41Å; E84-R88 PolarHBondContact O-N 3.25Å; E84-R88 IonicContact OE1-CZ 2.87Å; E84-R88 IonicContact OE1-NE 2.64Å; E84-R88 IonicContact OE1-NH1 3.68Å; E84-R88 IonicContact OE1-NH2 2.72Å; E84-R88 PolarHBondContact OE1-NH2 3.49Å; F85-R88 PolarHBondContact O-N 2.94Å; A86-R88 PolarHBondContact O-N 3.04Å
89R97.3Very high97.6Very high164 Ų16447.7 Ų47.762%0.61922%0.215SC*.Hα-helixtrans-79.5-34-177.6-174.5172.7175.786.72.7112.6F85 A86 P91F85-R89 WeakPolarHBondContact O-CB 3.25Å; F85-R89 PolarHBondContact O-N 3.47Å; A86-R89 PolarHBondContact O-N 2.93Å; R89-P91 VanDerWaalsContact C-CD 3.41Å
90F97.8Very high97.4Very high17 Ų1751.9 Ų51.98%0.07523%0.234CC..SBendtrans-12741.2-172.3-52.4-68.9000113.8A86 N92 R93 Y128 E309 G335A86-F90 WeakPolarHBondContact O-CD2 3.45Å; A86-F90 PolarHBondContact O-N 3.05Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.23Å; F90-N92 VanDerWaalsContact O-N 3.14Å; F90-R93 HydrophobicContact CB-CB 4.11Å; F90-R93 HydrophobicContact CB-CG 3.94Å; F90-R93 HydrophobicContact CD1-CG 4.46Å; F90-R93 WeakPolarHBondContact O-CB 3.4Å; F90-R93 PolarHBondContact O-N 3.35Å; F90-Y128 HydrophobicContact CB-CD2 4.15Å; F90-Y128 HydrophobicContact CB-CE2 4.5Å; F90-Y128 HydrophobicContact CB-CG 4.35Å; F90-Y128 WeakPolarHBondContact O-CB 3.36Å; F90-E309 HydrophobicContact CD1-CB 3.97Å; F90-E309 HydrophobicContact CD1-CG 4.26Å; F90-E309 HydrophobicContact CE1-CB 3.87Å; F90-E309 HydrophobicContact CE1-CG 4.09Å; F90-E309 HydrophobicContact CZ-CB 4.48Å; F90-G335 VanDerWaalsContact CE2-CA 3.47Å
91P97.9Very high97.1Very high41 Ų4155.4 Ų55.427%0.26626%0.256SS..THydrogen-bonded Turntrans-55.5-44.1-163.622.4-34.4000113.7A87 R89 T127 Y128 E129A87-P91 VanDerWaalsContact O-CA 3.25Å; A87-P91 WeakPolarHBondContact O-CA 3.33Å; A87-P91 WeakPolarHBondContact O-CB 3.44Å; R89-P91 VanDerWaalsContact C-CD 3.41Å; P91-T127 WeakPolarHBondContact O-CB 3.13Å; P91-T127 PolarHBondContact O-OG1 3.49Å; P91-Y128 PolarHBondContact O-N 3.36Å; P91-E129 HydrophobicContact CB-CB 4.18Å; P91-E129 WeakPolarHBondContact O-CB 3.36Å; P91-E129 PolarHBondContact O-N 3.38Å
92N98.1Very high96.8Very high132 Ų13257.4 Ų57.471%0.70627%0.269SS*.THydrogen-bonded Turntrans-90.62.7-176-58.8-40.2000114F90F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.23Å; F90-N92 VanDerWaalsContact O-N 3.14Å
93R98.1Very high96.4Very high127 Ų12759.1 Ų59.148%0.47928%0.281SS..SBendtrans-80.6146.6176.8-66.4-64.6-167.8174.75.2109.5F90 C95 T127 Y128 E309F90-R93 HydrophobicContact CB-CB 4.11Å; F90-R93 HydrophobicContact CB-CG 3.94Å; F90-R93 HydrophobicContact CD1-CG 4.46Å; F90-R93 WeakPolarHBondContact O-CB 3.4Å; F90-R93 PolarHBondContact O-N 3.35Å; R93-C95 PolarHBondContact O-N 3.26Å; R93-T127 CarbonylContact O-C 3.54Å; R93-T127 WeakPolarHBondContact O-CA 3.45Å; R93-Y128 HydrophobicContact CB-CD2 4.05Å; R93-Y128 HydrophobicContact CB-CE2 4.46Å; R93-Y128 WeakPolarHBondContact O-CD2 3.49Å; R93-Y128 PolarHBondContact O-N 2.96Å; R93-E309 IonicContact NH2-OE1 3.5Å
94D98.5Very high96Very high54 Ų5464 Ų6429%0.28930%0.304SS..EExtended strand (participates in β ladder)trans-55.6132.9168.2-66.9-13.7000110W125 R337D94-W125 HydrophobicContact CB-CB 4.26Å; D94-W125 HydrophobicContact CB-CD2 3.91Å; D94-W125 HydrophobicContact CB-CE3 3.66Å; D94-W125 HydrophobicContact CB-CG 4.17Å; D94-W125 HydrophobicContact CB-CZ3 4.36Å; D94-R337 HydrophobicContact CB-CB 3.82Å; D94-R337 WeakPolarHBondContact O-CB 3.36Å; D94-R337 IonicContact OD2-CZ 2.83Å; D94-R337 IonicContact OD2-NH1 3.71Å; D94-R337 PolarHBondContact OD2-NH1 3.29Å
95C98.6Very high95.6Very high1 Ų165.2 Ų65.21%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-114.9-63.3177.8-172.50000110.6R93 L126 Y128 A131 I338R93-C95 PolarHBondContact O-N 3.26Å; C95-L126 WeakPolarHBondContact CB-O 3.27Å; C95-L126 PolarHBondContact N-O 2.98Å; C95-Y128 HydrophobicContact CB-CD1 4.25Å; C95-Y128 HydrophobicContact CB-CD2 3.53Å; C95-Y128 HydrophobicContact CB-CE1 4.49Å; C95-Y128 HydrophobicContact CB-CE2 3.79Å; C95-Y128 HydrophobicContact CB-CG 3.77Å; C95-A131 HydrophobicContact CB-CB 4.31Å; C95-I338 PolarHBondContact O-N 3.07Å
96L98.6Very high95Very high3 Ų367.1 Ų67.12%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-120.5123.1-173.4-54.9-178.6000110.1W125 L126 A131 A161 V164 I165 I338 Y340L96-W125 WeakPolarHBondContact O-CA 3.24Å; L96-L126 PolarHBondContact N-O 3.11Å; L96-L126 PolarHBondContact O-N 2.81Å; L96-A131 HydrophobicContact CD1-CB 4.14Å; L96-A131 HydrophobicContact CG-CB 4.38Å; L96-A161 HydrophobicContact CB-CB 3.99Å; L96-A161 HydrophobicContact CD1-CB 4.23Å; L96-V164 HydrophobicContact CD1-CB 4.37Å; L96-V164 HydrophobicContact CD1-CG1 4.26Å; L96-V164 HydrophobicContact CD2-CG1 4.24Å; L96-I165 HydrophobicContact CD1-CD1 4.27Å; L96-I165 HydrophobicContact CD1-CG1 3.8Å; L96-I338 HydrophobicContact CD2-CB 4.45Å; L96-I338 HydrophobicContact CD2-CD1 4.4Å; L96-Y340 HydrophobicContact CB-CE2 4.23Å; L96-Y340 HydrophobicContact CD2-CE2 4.12Å
97G98.1Very high94.1Very high0 Ų071.9 Ų71.90%035%0.345CS..EExtended strand (participates in β ladder)trans-116124.4-176.600000112.1N124 W125 I338 Y340G97-N124 WeakPolarHBondContact CA-O 3.02Å; G97-W125 VanDerWaalsContact CA-CZ3 3.47Å; G97-I338 PolarHBondContact N-O 3.25Å; G97-Y340 WeakPolarHBondContact O-CD2 3.47Å; G97-Y340 PolarHBondContact O-N 3.26Å
98T96.7Very high93.2Very high54 Ų5477.6 Ų77.633%0.33137%0.374SS..EExtended strand (participates in β ladder)trans-114.8137174.8-59.90000109.9Y123 N124T98-Y123 WeakPolarHBondContact O-CA 3.02Å; T98-N124 PolarHBondContact N-O 3.01Å; T98-N124 PolarHBondContact O-N 3.45Å
99R94.3Very high92Very high20 Ų2072.1 Ų72.18%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-82.6132.5-179.3-159169.7177-151.3-7.9111.4L120 G121 Y123 K358 G359 D360R99-L120 HydrophobicContact CG-CB 4.03Å; R99-L120 VanDerWaalsContact NE-CB 3.29Å; R99-L120 VanDerWaalsContact NH1-CD1 3.33Å; R99-L120 PolarHBondContact NH2-O 3.43Å; R99-G121 WeakPolarHBondContact CG-O 3.45Å; R99-G121 PolarHBondContact NE-O 2.78Å; R99-Y123 HydrophobicContact CB-CD1 4.43Å; R99-Y123 HydrophobicContact CB-CE1 4.19Å; R99-Y123 HydrophobicContact CG-CE2 4.41Å; R99-K358 VanDerWaalsContact CZ-O 3.29Å; R99-K358 PolarHBondContact NH1-O 3.25Å; R99-K358 PolarHBondContact NH2-O 2.93Å; R99-G359 VanDerWaalsContact NH1-C 3.27Å; R99-D360 WeakPolarHBondContact CD-OD1 3.37Å; R99-D360 IonicContact CZ-OD1 3.56Å; R99-D360 IonicContact NE-OD1 3.97Å; R99-D360 IonicContact NH1-OD1 3.91Å; R99-D360 PolarHBondContact NH1-OD1 2.83Å
100E92.5Very high90.4Very high88 Ų8871.1 Ų71.141%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-66.2133.3176.3-174.9-179.5-157.600111.1L102 L120 G121 N122E100-L102 HydrophobicContact CG-CD2 4.01Å; E100-L120 CarbonylContact O-C 3.47Å; E100-L120 VanDerWaalsContact O-CA 3.3Å; E100-L120 WeakPolarHBondContact O-CA 3.46Å; E100-G121 PolarHBondContact O-N 3.21Å; E100-N122 PolarHBondContact N-O 2.93Å
101V91.1Very high88.9Confident80 Ų8075.1 Ų75.149%0.48539%0.393SS..EExtended strand (participates in β ladder)trans-93.9108.3171.8-174.80000108.4E104 L120V101-E104 HydrophobicContact CG1-CG 4.09Å; V101-L120 HydrophobicContact CB-CD2 4.2Å; V101-L120 HydrophobicContact CG1-CD2 4.32Å; V101-L120 HydrophobicContact CG2-CD2 3.74Å
102L91.2Very high87.5Confident102 Ų10275.8 Ų75.853%0.53441%0.408SS..EExtended strand (participates in β ladder)trans-82.5-41.5-177.8-62.9175.2000111.7E100 I119E100-L102 HydrophobicContact CG-CD2 4.01Å; L102-I119 WeakPolarHBondContact CB-O 3.41Å; L102-I119 HydrophobicContact CD1-CG2 4.43Å; L102-I119 PolarHBondContact N-O 3.47Å
103S90.1Very high86.1Confident41 Ų4175.9 Ų75.929%0.28740%0.402SS..EExtended strand (participates in β ladder)trans-155.2153.2174.766.40000112.2V118 I119S103-V118 WeakPolarHBondContact O-CA 3.31Å; S103-I119 PolarHBondContact N-O 2.95Å; S103-I119 PolarHBondContact O-N 2.9Å; S103-I119 WeakPolarHBondContact OG-CB 3.26Å; S103-I119 VanDerWaalsContact OG-CD1 3.31Å; S103-I119 WeakPolarHBondContact OG-CD1 3.45Å; S103-I119 WeakPolarHBondContact OG-CG1 3.34Å
104E89.6Confident84.9Confident106 Ų10673.5 Ų73.550%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-114.9136.6166.4-54.6-163.7157.500108.8V101 K116 K117 V118V101-E104 HydrophobicContact CG1-CG 4.09Å; E104-K116 IonicContact OE2-NZ 3.32Å; E104-K117 CarbonylContact C-O 3.55Å; E104-K117 WeakPolarHBondContact CA-O 3.31Å; E104-V118 HydrophobicContact CG-CG1 4.22Å
105E88.2Confident83.8Confident76 Ų7674.9 Ų74.936%0.35541%0.405SS..EExtended strand (participates in β ladder)trans-131.7137.6179.7-65.9179-154.400110.3K117 K354E105-K117 PolarHBondContact N-O 3.11Å; E105-K117 PolarHBondContact O-N 3.43Å; E105-K354 IonicContact OE1-NZ 3.77Å; E105-K354 PolarHBondContact OE1-NZ 3.22Å; E105-K354 WeakPolarHBondContact OE2-CE 3.5Å; E105-K354 IonicContact OE2-NZ 3.63Å; E105-K354 PolarHBondContact OE2-NZ 3.25Å
106D85.6Confident83.1Confident110 Ų11080.4 Ų80.459%0.58843%0.429SS*.EExtended strand (participates in β ladder)trans-87.5116.5177.3-75-20000110.2V114 K116D106-V114 HydrophobicContact CB-CG1 3.56Å; D106-K116 WeakPolarHBondContact OD1-CG 3.37Å
107E79.2Confident82.6Confident99 Ų9981.9 Ų81.946%0.46344%0.435SS..EExtended strand (participates in β ladder)trans-100.4110.2173.7-168.7177.3151.500109.8Q109 F115 K117E107-Q109 PolarHBondContact O-N 3.05Å; E107-F115 PolarHBondContact N-O 2.84Å; E107-F115 PolarHBondContact O-N 3.27Å; E107-K117 HydrophobicContact CB-CG 3.99Å; E107-K117 WeakPolarHBondContact OE2-CE 3.29Å; E107-K117 WeakPolarHBondContact OE2-CG 3.34Å; E107-K117 IonicContact OE2-NZ 3.4Å
108L78.3Confident82.3Confident130 Ų13082 Ų8268%0.68144%0.436SS*.EExtended strand (participates in β ladder)trans-73.9119.2174.6-78.2160.3000110.1V114L108-V114 HydrophobicContact CD2-CG2 3.54Å; L108-V114 HydrophobicContact CG-CG2 4.32Å
109Q72.6Confident82.1Confident69 Ų6981.7 Ų81.732%0.32243%0.432SS..  trans-80.4157.5171.2-71-161.117.700111.8E107 N111 G112 K113 F115E107-Q109 PolarHBondContact O-N 3.05Å; Q109-N111 WeakPolarHBondContact CB-OD1 3.45Å; Q109-N111 PolarHBondContact O-N 2.65Å; Q109-G112 PolarHBondContact O-N 3.37Å; Q109-K113 WeakPolarHBondContact CB-O 3.5Å; Q109-K113 PolarHBondContact N-O 2.83Å; Q109-F115 HydrophobicContact CG-CD2 3.9Å; Q109-F115 HydrophobicContact CG-CE2 4.38Å
110P64.1Low82Confident144 Ų14481.8 Ų81.894%0.93543%0.434SS*.THydrogen-bonded Turntrans-57-20.9177.4-25.434.5000114.9G112P110-G112 VanDerWaalsContact C-N 3.32Å
111N64.7Low82.1Confident100 Ų10078.1 Ų78.154%0.53542%0.42SS..THydrogen-bonded Turntrans-87.56.7176.26311.4000113.7Q109 K113Q109-N111 WeakPolarHBondContact CB-OD1 3.45Å; Q109-N111 PolarHBondContact O-N 2.65Å; N111-K113 VanDerWaalsContact C-N 3.29Å; N111-K113 PolarHBondContact O-N 3.1Å; N111-K113 VanDerWaalsContact OD1-CB 3.31Å; N111-K113 WeakPolarHBondContact OD1-CB 3.31Å; N111-K113 PolarHBondContact OD1-N 3.37Å
112G68.6Low82.3Confident56 Ų5679.9 Ų79.958%0.57743%0.427SS*.SBendtrans80.2-2.7-178.100000115.3Q109 P110Q109-G112 PolarHBondContact O-N 3.37Å; P110-G112 VanDerWaalsContact C-N 3.32Å
113K69.1Low82.6Confident134 Ų13476 Ų7658%0.58341%0.405SS*.  trans-75.6131.5175.2-68.5-175.4177.3177.90110.6Q109 N111 F115Q109-K113 WeakPolarHBondContact CB-O 3.5Å; Q109-K113 PolarHBondContact N-O 2.83Å; N111-K113 VanDerWaalsContact C-N 3.29Å; N111-K113 PolarHBondContact O-N 3.1Å; N111-K113 VanDerWaalsContact OD1-CB 3.31Å; N111-K113 WeakPolarHBondContact OD1-CB 3.31Å; N111-K113 PolarHBondContact OD1-N 3.37Å; K113-F115 HydrophobicContact CB-CD2 4.35Å; K113-F115 HydrophobicContact CB-CE2 4.12Å
114V73.3Confident83Confident76 Ų7678.8 Ų78.846%0.46142%0.417SS..EExtended strand (participates in β ladder)trans-87.6123.2172.4179.80000109.1D106 L108D106-V114 HydrophobicContact CB-CG1 3.56Å; L108-V114 HydrophobicContact CD2-CG2 3.54Å; L108-V114 HydrophobicContact CG-CG2 4.32Å
115F75.9Confident83.4Confident83 Ų8376.4 Ų76.436%0.36440%0.403SS..EExtended strand (participates in β ladder)trans-107.7120.3170.8-88.1-104.1000110E107 Q109 K113 K117E107-F115 PolarHBondContact N-O 2.84Å; E107-F115 PolarHBondContact O-N 3.27Å; Q109-F115 HydrophobicContact CG-CD2 3.9Å; Q109-F115 HydrophobicContact CG-CE2 4.38Å; K113-F115 HydrophobicContact CB-CD2 4.35Å; K113-F115 HydrophobicContact CB-CE2 4.12Å; F115-K117 PolarHBondContact O-N 2.96Å
116K82.9Confident83.9Confident117 Ų11775.7 Ų75.751%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-70.9118.3172.9-75.5-173171.5-160.50110.7E104 D106 K352E104-K116 IonicContact OE2-NZ 3.32Å; D106-K116 WeakPolarHBondContact OD1-CG 3.37Å; K116-K352 WeakPolarHBondContact O-CG 3.35Å
117K88.7Confident84.5Confident34 Ų3471.8 Ų71.815%0.14838%0.381CS..EExtended strand (participates in β ladder)trans-98.5143.4169.5-62.1-60.2-167.2172.50109.8E104 E105 E107 F115 S351 K352 K354E104-K117 CarbonylContact C-O 3.55Å; E104-K117 WeakPolarHBondContact CA-O 3.31Å; E105-K117 PolarHBondContact N-O 3.11Å; E105-K117 PolarHBondContact O-N 3.43Å; E107-K117 HydrophobicContact CB-CG 3.99Å; E107-K117 WeakPolarHBondContact OE2-CE 3.29Å; E107-K117 WeakPolarHBondContact OE2-CG 3.34Å; E107-K117 IonicContact OE2-NZ 3.4Å; F115-K117 PolarHBondContact O-N 2.96Å; K117-S351 WeakPolarHBondContact CD-O 3.16Å; K117-S351 PolarHBondContact NZ-O 3.12Å; K117-K352 CarbonylContact C-O 3.54Å; K117-K352 VanDerWaalsContact CA-O 3.31Å; K117-K352 WeakPolarHBondContact CA-O 3.14Å; K117-K354 HydrophobicContact CB-CB 4.23Å
118V91.3Very high85.4Confident4 Ų467 Ų672%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-116.6143177-60.20000110.6S103 E104 L120 T345 K352 I353 K354S103-V118 WeakPolarHBondContact O-CA 3.31Å; E104-V118 HydrophobicContact CG-CG1 4.22Å; V118-L120 HydrophobicContact CB-CD2 4.08Å; V118-L120 HydrophobicContact CB-CG 4.21Å; V118-L120 HydrophobicContact CG2-CD1 3.82Å; V118-L120 HydrophobicContact CG2-CD2 3.9Å; V118-L120 HydrophobicContact CG2-CG 3.67Å; V118-T345 HydrophobicContact CG2-CG2 4.23Å; V118-K352 HydrophobicContact CG1-CD 4.34Å; V118-K352 HydrophobicContact CG1-CG 4.17Å; V118-K352 HydrophobicContact CG2-CD 4.43Å; V118-K352 HydrophobicContact CG2-CG 4.04Å; V118-K352 WeakPolarHBondContact CG2-O 3.28Å; V118-K352 PolarHBondContact N-O 3.05Å; V118-I353 HydrophobicContact CG2-CD1 4.26Å; V118-K354 PolarHBondContact O-N 3.14Å; V118-K354 VanDerWaalsContact O-N 3.15Å
119I92.2Very high86.4Confident46 Ų4665.5 Ų65.524%0.23635%0.349CS..EExtended strand (participates in β ladder)trans-106.6120.6162.9-52.4-176.5000106.9L102 S103 K354L102-I119 WeakPolarHBondContact CB-O 3.41Å; L102-I119 HydrophobicContact CD1-CG2 4.43Å; L102-I119 PolarHBondContact N-O 3.47Å; S103-I119 PolarHBondContact N-O 2.95Å; S103-I119 PolarHBondContact O-N 2.9Å; S103-I119 WeakPolarHBondContact OG-CB 3.26Å; S103-I119 VanDerWaalsContact OG-CD1 3.31Å; S103-I119 WeakPolarHBondContact OG-CD1 3.45Å; S103-I119 WeakPolarHBondContact OG-CG1 3.34Å; I119-K354 HydrophobicContact CD1-CD 3.63Å; I119-K354 HydrophobicContact CG1-CB 4.03Å; I119-K354 HydrophobicContact CG1-CD 3.75Å
120L93.5Very high87.6Confident22 Ų2266.7 Ų66.712%0.11535%0.354CS..EExtended strand (participates in β ladder)trans-113.8135.7-171.9-63.1176.5000110.6R99 E100 V101 V118 T345 I353R99-L120 HydrophobicContact CG-CB 4.03Å; R99-L120 VanDerWaalsContact NE-CB 3.29Å; R99-L120 VanDerWaalsContact NH1-CD1 3.33Å; R99-L120 PolarHBondContact NH2-O 3.43Å; E100-L120 CarbonylContact O-C 3.47Å; E100-L120 VanDerWaalsContact O-CA 3.3Å; E100-L120 WeakPolarHBondContact O-CA 3.46Å; V101-L120 HydrophobicContact CB-CD2 4.2Å; V101-L120 HydrophobicContact CG1-CD2 4.32Å; V101-L120 HydrophobicContact CG2-CD2 3.74Å; V118-L120 HydrophobicContact CB-CD2 4.08Å; V118-L120 HydrophobicContact CB-CG 4.21Å; V118-L120 HydrophobicContact CG2-CD1 3.82Å; V118-L120 HydrophobicContact CG2-CD2 3.9Å; V118-L120 HydrophobicContact CG2-CG 3.67Å; L120-T345 HydrophobicContact CD1-CG2 4.05Å; L120-I353 HydrophobicContact CD1-CD1 3.73Å; L120-I353 HydrophobicContact CG-CD1 4.46Å
121G94Very high89.3Confident12 Ų1259.9 Ų59.912%0.12431%0.31CS..EExtended strand (participates in β ladder)trans-85.2-144.9179.900000113.1R99 E100R99-G121 WeakPolarHBondContact CG-O 3.45Å; R99-G121 PolarHBondContact NE-O 2.78Å; E100-G121 PolarHBondContact O-N 3.21Å
122N96.1Very high90.9Very high117 Ų11756.7 Ų56.763%0.62629%0.291SS*.EExtended strand (participates in β ladder)trans-82.7168.4178.3-68.1-43.8000111.6E100E100-N122 PolarHBondContact N-O 2.93Å
123Y97.1Very high92.3Very high20 Ų2057.3 Ų57.38%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-79.8129.3169.4-82.3-90.6000110.5T98 R99 W125 Y340 D360 V363 L364T98-Y123 WeakPolarHBondContact O-CA 3.02Å; R99-Y123 HydrophobicContact CB-CD1 4.43Å; R99-Y123 HydrophobicContact CB-CE1 4.19Å; R99-Y123 HydrophobicContact CG-CE2 4.41Å; Y123-W125 HydrophobicContact CD1-CZ2 4.18Å; Y123-W125 HydrophobicContact CG-CZ2 4.03Å; Y123-Y340 WeakPolarHBondContact CE1-O 3.33Å; Y123-Y340 PolarHBondContact OH-O 2.75Å; Y123-D360 WeakPolarHBondContact OH-CB 3.49Å; Y123-V363 HydrophobicContact CD2-CG1 4.01Å; Y123-V363 HydrophobicContact CE2-CB 4.42Å; Y123-V363 HydrophobicContact CE2-CG1 4.33Å; Y123-L364 HydrophobicContact CD2-CB 4.39Å; Y123-L364 HydrophobicContact CD2-CD1 4.2Å; Y123-L364 HydrophobicContact CE1-CD1 4.4Å; Y123-L364 HydrophobicContact CE2-CB 3.69Å; Y123-L364 HydrophobicContact CE2-CD1 4.05Å; Y123-L364 HydrophobicContact CE2-CG 4.34Å; Y123-L364 HydrophobicContact CG-CD1 4.43Å
124N97.2Very high93.7Very high99 Ų9951.6 Ų51.653%0.52926%0.259SS..EExtended strand (participates in β ladder)trans-96.8129.4167.2-63.9-34.9000108.3G97 T98G97-N124 WeakPolarHBondContact CA-O 3.02Å; T98-N124 PolarHBondContact N-O 3.01Å; T98-N124 PolarHBondContact O-N 3.45Å
125W98.3Very high94.8Very high57 Ų5748 Ų4822%0.21624%0.237CC..EExtended strand (participates in β ladder)trans-111137.7-170.7-65.192.4000111.2D94 L96 G97 Y123 R337 I338 L364D94-W125 HydrophobicContact CB-CB 4.26Å; D94-W125 HydrophobicContact CB-CD2 3.91Å; D94-W125 HydrophobicContact CB-CE3 3.66Å; D94-W125 HydrophobicContact CB-CG 4.17Å; D94-W125 HydrophobicContact CB-CZ3 4.36Å; L96-W125 WeakPolarHBondContact O-CA 3.24Å; G97-W125 VanDerWaalsContact CA-CZ3 3.47Å; Y123-W125 HydrophobicContact CD1-CZ2 4.18Å; Y123-W125 HydrophobicContact CG-CZ2 4.03Å; W125-R337 HydrophobicContact CE3-CB 4.34Å; W125-R337 HydrophobicContact CH2-CB 4.26Å; W125-R337 HydrophobicContact CH2-CG 3.99Å; W125-R337 HydrophobicContact CZ3-CB 3.72Å; W125-R337 HydrophobicContact CZ3-CG 3.98Å; W125-I338 WeakPolarHBondContact CZ3-O 3.32Å; W125-L364 HydrophobicContact CH2-CD1 3.72Å; W125-L364 HydrophobicContact CZ2-CD1 3.69Å
126L98.4Very high95.8Very high60 Ų6048.5 Ų48.531%0.31424%0.239SC..EExtended strand (participates in β ladder)trans-93.6133.8158.4-62.9175.7000108.3C95 L96 E130 I165C95-L126 WeakPolarHBondContact CB-O 3.27Å; C95-L126 PolarHBondContact N-O 2.98Å; L96-L126 PolarHBondContact N-O 3.11Å; L96-L126 PolarHBondContact O-N 2.81Å; L126-E130 WeakPolarHBondContact CA-OE2 3.43Å; L126-E130 HydrophobicContact CB-CB 4.35Å; L126-E130 HydrophobicContact CD2-CB 4.36Å; L126-I165 HydrophobicContact CD1-CD1 3.82Å
127T98.8Very high96.4Very high28 Ų2844.7 Ų44.717%0.17223%0.227CC..EExtended strand (participates in β ladder)trans-69165.5169.870.10000111P91 R93 E129 E130 A131P91-T127 WeakPolarHBondContact O-CB 3.13Å; P91-T127 PolarHBondContact O-OG1 3.49Å; R93-T127 CarbonylContact O-C 3.54Å; R93-T127 WeakPolarHBondContact O-CA 3.45Å; T127-E129 VanDerWaalsContact C-N 3.27Å; T127-E129 PolarHBondContact O-N 2.97Å; T127-E130 PolarHBondContact N-OE2 2.91Å; T127-E130 PolarHBondContact O-N 2.91Å; T127-E130 VanDerWaalsContact OG1-CG 3.28Å; T127-E130 WeakPolarHBondContact OG1-CG 3.34Å; T127-E130 PolarHBondContact OG1-N 3.34Å; T127-E130 VanDerWaalsContact OG1-N 3.14Å; T127-E130 PolarHBondContact OG1-OE2 3.42Å; T127-A131 WeakPolarHBondContact O-CB 3.17Å; T127-A131 PolarHBondContact O-N 3.22Å
128Y98.8Very high96.9Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-58.6-39.6173.3-93.1-91.3000112.5F83 A86 F90 P91 R93 C95 Y132 I332 G335 C336F83-Y128 HydrophobicContact CE2-CD1 4.25Å; A86-Y128 HydrophobicContact CB-CD1 4.19Å; A86-Y128 HydrophobicContact CB-CE1 3.85Å; F90-Y128 HydrophobicContact CB-CD2 4.15Å; F90-Y128 HydrophobicContact CB-CE2 4.5Å; F90-Y128 HydrophobicContact CB-CG 4.35Å; F90-Y128 WeakPolarHBondContact O-CB 3.36Å; P91-Y128 PolarHBondContact O-N 3.36Å; R93-Y128 HydrophobicContact CB-CD2 4.05Å; R93-Y128 HydrophobicContact CB-CE2 4.46Å; R93-Y128 WeakPolarHBondContact O-CD2 3.49Å; R93-Y128 PolarHBondContact O-N 2.96Å; C95-Y128 HydrophobicContact CB-CD1 4.25Å; C95-Y128 HydrophobicContact CB-CD2 3.53Å; C95-Y128 HydrophobicContact CB-CE1 4.49Å; C95-Y128 HydrophobicContact CB-CE2 3.79Å; C95-Y128 HydrophobicContact CB-CG 3.77Å; Y128-Y132 WeakPolarHBondContact O-CB 3.47Å; Y128-Y132 PolarHBondContact O-N 3.37Å; Y128-I332 HydrophobicContact CE1-CG2 4.21Å; Y128-I332 WeakPolarHBondContact OH-CA 3.35Å; Y128-I332 PolarHBondContact OH-O 3.45Å; Y128-I332 VanDerWaalsContact OH-O 3.06Å; Y128-G335 WeakPolarHBondContact OH-CA 3.25Å; Y128-G335 PolarHBondContact OH-N 3.29Å; Y128-C336 PolarHBondContact OH-N 2.86Å; Y128-C336 PolarHBondContact OH-O 2.83Å
129E98.6Very high97.1Very high97 Ų9742.9 Ų42.945%0.45322%0.219SC..Hα-helixtrans-65-44.9175.9-179.9169.9-145.300111.5P91 T127 Y132 N133P91-E129 HydrophobicContact CB-CB 4.18Å; P91-E129 WeakPolarHBondContact O-CB 3.36Å; P91-E129 PolarHBondContact O-N 3.38Å; T127-E129 VanDerWaalsContact C-N 3.27Å; T127-E129 PolarHBondContact O-N 2.97Å; E129-Y132 PolarHBondContact O-N 3.15Å; E129-N133 WeakPolarHBondContact O-CB 3.42Å; E129-N133 VanDerWaalsContact O-CG 3.29Å; E129-N133 PolarHBondContact O-N 3Å; E129-N133 PolarHBondContact O-ND2 2.63Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å
130E98.6Very high97.2Very high94 Ų9441.4 Ų41.444%0.43921%0.213SC..Hα-helixtrans-63.6-45177.3-71.6169160.200111.9L126 T127 N133 A134L126-E130 WeakPolarHBondContact CA-OE2 3.43Å; L126-E130 HydrophobicContact CB-CB 4.35Å; L126-E130 HydrophobicContact CD2-CB 4.36Å; T127-E130 PolarHBondContact N-OE2 2.91Å; T127-E130 PolarHBondContact O-N 2.91Å; T127-E130 VanDerWaalsContact OG1-CG 3.28Å; T127-E130 WeakPolarHBondContact OG1-CG 3.34Å; T127-E130 PolarHBondContact OG1-N 3.34Å; T127-E130 VanDerWaalsContact OG1-N 3.14Å; T127-E130 PolarHBondContact OG1-OE2 3.42Å; E130-N133 PolarHBondContact O-N 2.91Å; E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.47Å; E130-A134 PolarHBondContact O-N 3.09Å
131A98.6Very high97.3Very high1 Ų140.4 Ų40.41%0.00821%0.207CC..Hα-helixtrans-64-41.1177.500000111.8F83 C95 L96 T127 A134 A135F83-A131 HydrophobicContact CZ-CB 4.11Å; C95-A131 HydrophobicContact CB-CB 4.31Å; L96-A131 HydrophobicContact CD1-CB 4.14Å; L96-A131 HydrophobicContact CG-CB 4.38Å; T127-A131 WeakPolarHBondContact O-CB 3.17Å; T127-A131 PolarHBondContact O-N 3.22Å; A131-A134 PolarHBondContact O-N 2.88Å; A131-A135 WeakPolarHBondContact O-CB 3.26Å; A131-A135 PolarHBondContact O-N 3.25Å
132Y98.6Very high97.4Very high33 Ų3339.8 Ų39.813%0.12920%0.201CC..Hα-helixtrans-63.2-46.8175.5-179.3-91.5000111.7F83 E84 A87 Y128 E129 A135 K136 M172F83-Y132 AromaticContact CD1-CD2 3.93Å; F83-Y132 HydrophobicContact CD1-CD2 3.93Å; F83-Y132 HydrophobicContact CE1-CD2 4.05Å; F83-Y132 HydrophobicContact CG-CD2 4.35Å; E84-Y132 HydrophobicContact CB-CE2 3.81Å; E84-Y132 HydrophobicContact CG-CE2 4.23Å; A87-Y132 HydrophobicContact CB-CD2 3.8Å; A87-Y132 HydrophobicContact CB-CG 3.8Å; Y128-Y132 WeakPolarHBondContact O-CB 3.47Å; Y128-Y132 PolarHBondContact O-N 3.37Å; E129-Y132 PolarHBondContact O-N 3.15Å; Y132-A135 PolarHBondContact O-N 2.94Å; Y132-K136 HydrophobicContact CE1-CD 4.46Å; Y132-K136 WeakPolarHBondContact O-CB 3.4Å; Y132-K136 PolarHBondContact O-N 3.07Å; Y132-M172 HydrophobicContact CD2-CE 3.42Å; Y132-M172 VanDerWaalsContact CD2-CE 3.42Å; Y132-M172 HydrophobicContact CE2-CE 3.41Å; Y132-M172 VanDerWaalsContact CE2-CE 3.41Å; Y132-M172 HydrophobicContact CE2-SD 4.34Å; Y132-M172 HydrophobicContact CG-CE 4.18Å
133N98.1Very high97.3Very high69 Ų6934.8 Ų34.837%0.36918%0.176SC..Hα-helixtrans-64.7-40.3177.3-73.9-33.3000111.8E129 E130 A135 K136 C137E129-N133 WeakPolarHBondContact O-CB 3.42Å; E129-N133 VanDerWaalsContact O-CG 3.29Å; E129-N133 PolarHBondContact O-N 3Å; E129-N133 PolarHBondContact O-ND2 2.63Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å; E130-N133 PolarHBondContact O-N 2.91Å; N133-A135 PolarHBondContact O-N 3.33Å; N133-K136 PolarHBondContact O-N 3.47Å; N133-C137 WeakPolarHBondContact O-CB 3.36Å; N133-C137 PolarHBondContact O-N 2.74Å; N133-C137 PolarHBondContact O-SG 2.87Å
134A98Very high97.2Very high15 Ų1535.7 Ų35.712%0.12419%0.188CC..Hα-helixtrans-60.1-45.1174.800000111.8E130 A131 F138 I165 K251E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.47Å; E130-A134 PolarHBondContact O-N 3.09Å; A131-A134 PolarHBondContact O-N 2.88Å; A134-F138 WeakPolarHBondContact O-CB 3.43Å; A134-F138 PolarHBondContact O-N 3.02Å; A134-I165 HydrophobicContact CB-CD1 4.27Å; A134-I165 HydrophobicContact CB-CG2 3.97Å; A134-K251 HydrophobicContact CB-CD 4.23Å
135A98Very high97Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-64.8-43.2176.500000111.7F83 A131 Y132 N133 F138 G139 I165 Q168 A169 M172F83-A135 HydrophobicContact CE1-CB 4.13Å; A131-A135 WeakPolarHBondContact O-CB 3.26Å; A131-A135 PolarHBondContact O-N 3.25Å; Y132-A135 PolarHBondContact O-N 2.94Å; N133-A135 PolarHBondContact O-N 3.33Å; A135-F138 PolarHBondContact O-N 3.25Å; A135-G139 PolarHBondContact O-N 2.86Å; A135-I165 HydrophobicContact CB-CG2 4.25Å; A135-Q168 HydrophobicContact CB-CB 3.82Å; A135-A169 HydrophobicContact CB-CB 4.4Å; A135-A169 WeakPolarHBondContact O-CB 3.31Å; A135-M172 HydrophobicContact CB-CE 3.82Å; A135-M172 HydrophobicContact CB-SD 4.28Å
136K96.2Very high96.8Very high93 Ų9334.1 Ų34.140%0.40418%0.183SC..Hα-helixtrans-60.8-49.7177.4-177.6-178.1174.9-174.70112Y132 N133 S140 M172 Y173Y132-K136 HydrophobicContact CE1-CD 4.46Å; Y132-K136 WeakPolarHBondContact O-CB 3.4Å; Y132-K136 PolarHBondContact O-N 3.07Å; N133-K136 PolarHBondContact O-N 3.47Å; K136-S140 PolarHBondContact O-N 3.13Å; K136-S140 VanDerWaalsContact O-N 3.09Å; K136-M172 HydrophobicContact CB-SD 4.23Å; K136-Y173 WeakPolarHBondContact O-CE2 3.12Å; K136-Y173 PolarHBondContact O-OH 3.46Å
137C96.4Very high96.6Very high38 Ų3831.6 Ų31.626%0.25717%0.17SC..Hα-helixtrans-65.3-41.5177.6-71.40000111.3N133 S140 G141 K251 G254N133-C137 WeakPolarHBondContact O-CB 3.36Å; N133-C137 PolarHBondContact O-N 2.74Å; N133-C137 PolarHBondContact O-SG 2.87Å; C137-S140 PolarHBondContact O-N 2.87Å; C137-G141 PolarHBondContact O-N 3.41Å; C137-K251 HydrophobicContact CB-CB 4.34Å; C137-K251 HydrophobicContact CB-CG 4.46Å; C137-G254 WeakPolarHBondContact O-CA 3.37Å
138F97.6Very high96.4Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-63-45.7178.9-174.6-121.1000112A134 A135 S140 G141 L142 A166 A169 I202 I226 M247 V250 K251A134-F138 WeakPolarHBondContact O-CB 3.43Å; A134-F138 PolarHBondContact O-N 3.02Å; A135-F138 PolarHBondContact O-N 3.25Å; F138-S140 PolarHBondContact O-N 3.49Å; F138-G141 PolarHBondContact O-N 3.37Å; F138-G141 VanDerWaalsContact O-N 3.12Å; F138-L142 HydrophobicContact CD1-CD1 4.01Å; F138-L142 HydrophobicContact CE1-CD1 3.63Å; F138-L142 HydrophobicContact CE1-CG 4.21Å; F138-L142 HydrophobicContact CE2-CD2 4.37Å; F138-L142 HydrophobicContact CE2-CG 4.32Å; F138-L142 HydrophobicContact CZ-CD1 3.97Å; F138-L142 HydrophobicContact CZ-CD2 4.06Å; F138-L142 HydrophobicContact CZ-CG 4.09Å; F138-L142 WeakPolarHBondContact O-CG 3.28Å; F138-L142 PolarHBondContact O-N 2.96Å; F138-A166 HydrophobicContact CD1-CB 4.36Å; F138-A166 HydrophobicContact CE1-CB 3.77Å; F138-A169 HydrophobicContact CB-CB 4.27Å; F138-A169 HydrophobicContact CD1-CB 3.68Å; F138-A169 HydrophobicContact CG-CB 4.44Å; F138-I202 HydrophobicContact CE1-CD1 3.73Å; F138-I202 HydrophobicContact CZ-CD1 3.82Å; F138-I202 HydrophobicContact CZ-CG1 4.18Å; F138-I226 HydrophobicContact CE2-CG2 3.92Å; F138-I226 HydrophobicContact CZ-CG2 4.01Å; F138-M247 HydrophobicContact CB-CE 4.46Å; F138-M247 HydrophobicContact CD1-CE 3.79Å; F138-M247 HydrophobicContact CD2-CE 4.09Å; F138-M247 HydrophobicContact CD2-CG 3.77Å; F138-M247 HydrophobicContact CE1-CE 3.98Å; F138-M247 HydrophobicContact CE2-CB 4.33Å; F138-M247 HydrophobicContact CE2-CE 4.28Å; F138-M247 HydrophobicContact CE2-CG 3.61Å; F138-M247 HydrophobicContact CG-CE 3.84Å; F138-M247 HydrophobicContact CG-CG 4.46Å; F138-M247 HydrophobicContact CZ-CE 4.23Å; F138-M247 HydrophobicContact CZ-CG 4.17Å; F138-V250 HydrophobicContact CD2-CB 3.9Å; F138-V250 HydrophobicContact CD2-CG1 3.68Å; F138-V250 HydrophobicContact CE2-CB 3.77Å; F138-V250 HydrophobicContact CE2-CG1 3.64Å; F138-V250 HydrophobicContact CE2-CG2 4.35Å; F138-K251 HydrophobicContact CB-CD 4.36Å; F138-K251 HydrophobicContact CB-CG 3.68Å; F138-K251 HydrophobicContact CD2-CG 4.08Å; F138-K251 HydrophobicContact CG-CG 4.32Å
139G95.8Very high96.2Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-64-39177.200000113A135 G141 L142 A143 Y173A135-G139 PolarHBondContact O-N 2.86Å; G139-G141 VanDerWaalsContact C-N 3.29Å; G139-G141 PolarHBondContact O-N 3.45Å; G139-L142 PolarHBondContact O-N 2.78Å; G139-A143 PolarHBondContact O-N 3.41Å; G139-Y173 VanDerWaalsContact CA-CE2 3.5Å
140S95.3Very high96Very high15 Ų1536.6 Ų36.611%0.10519%0.193CC..Hα-helixtrans-63.5-36.8172.5-169.10000111.9K136 C137 F138 A143 A144 Y173 G254K136-S140 PolarHBondContact O-N 3.13Å; K136-S140 VanDerWaalsContact O-N 3.09Å; C137-S140 PolarHBondContact O-N 2.87Å; F138-S140 PolarHBondContact O-N 3.49Å; S140-A143 PolarHBondContact O-N 3.07Å; S140-A144 PolarHBondContact O-N 2.83Å; S140-Y173 WeakPolarHBondContact CB-OH 3.47Å; S140-Y173 VanDerWaalsContact N-CZ 3.27Å; S140-Y173 PolarHBondContact N-OH 2.63Å; S140-G254 PolarHBondContact OG-O 3.23Å
141G95.9Very high95.8Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-67.3-43176.300000112.6C137 F138 G139 A143 A144 L145 V250C137-G141 PolarHBondContact O-N 3.41Å; F138-G141 PolarHBondContact O-N 3.37Å; F138-G141 VanDerWaalsContact O-N 3.12Å; G139-G141 VanDerWaalsContact C-N 3.29Å; G139-G141 PolarHBondContact O-N 3.45Å; G141-A143 VanDerWaalsContact C-N 3.3Å; G141-A143 PolarHBondContact O-N 3.29Å; G141-A144 WeakPolarHBondContact O-CA 3.18Å; G141-A144 WeakPolarHBondContact O-CB 3.45Å; G141-A144 PolarHBondContact O-N 2.97Å; G141-A144 VanDerWaalsContact O-N 3.12Å; G141-L145 WeakPolarHBondContact O-CG 3.47Å; G141-L145 PolarHBondContact O-N 2.99Å; G141-V250 VanDerWaalsContact CA-O 3.3Å; G141-V250 WeakPolarHBondContact CA-O 3.26Å
142L96Very high95.8Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-60-41.9173.5-71.1172.5000111.3F138 G139 A144 L145 Q147 I153 F175 I226 V250F138-L142 HydrophobicContact CD1-CD1 4.01Å; F138-L142 HydrophobicContact CE1-CD1 3.63Å; F138-L142 HydrophobicContact CE1-CG 4.21Å; F138-L142 HydrophobicContact CE2-CD2 4.37Å; F138-L142 HydrophobicContact CE2-CG 4.32Å; F138-L142 HydrophobicContact CZ-CD1 3.97Å; F138-L142 HydrophobicContact CZ-CD2 4.06Å; F138-L142 HydrophobicContact CZ-CG 4.09Å; F138-L142 WeakPolarHBondContact O-CG 3.28Å; F138-L142 PolarHBondContact O-N 2.96Å; G139-L142 PolarHBondContact O-N 2.78Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.48Å; L142-L145 CarbonylContact O-C 3.53Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 WeakPolarHBondContact O-CB 3.46Å; L142-L145 PolarHBondContact O-N 2.73Å; L142-Q147 HydrophobicContact CB-CB 4.21Å; L142-Q147 WeakPolarHBondContact O-CB 3.48Å; L142-Q147 PolarHBondContact O-N 2.79Å; L142-Q147 VanDerWaalsContact O-N 3.07Å; L142-I153 HydrophobicContact CD1-CD1 3.82Å; L142-I153 HydrophobicContact CD2-CD1 4Å; L142-F175 HydrophobicContact CB-CE2 3.97Å; L142-F175 HydrophobicContact CD1-CD2 4.43Å; L142-F175 HydrophobicContact CD1-CE2 4.39Å; L142-I226 HydrophobicContact CD2-CD1 4Å; L142-I226 HydrophobicContact CD2-CG1 4.15Å; L142-V250 HydrophobicContact CD2-CG1 4.27Å; L142-V250 HydrophobicContact CG-CG1 4.23Å
143A94.3Very high95.8Very high11 Ų1136.5 Ų36.59%0.09119%0.193CC..Hα-helixtrans-61.9-39.3174.600000111.8G139 S140 G141 L145 N146 Q147 F175 M260G139-A143 PolarHBondContact O-N 3.41Å; S140-A143 PolarHBondContact O-N 3.07Å; G141-A143 VanDerWaalsContact C-N 3.3Å; G141-A143 PolarHBondContact O-N 3.29Å; A143-L145 PolarHBondContact O-N 2.92Å; A143-N146 WeakPolarHBondContact O-CA 3.33Å; A143-N146 PolarHBondContact O-N 3.03Å; A143-Q147 WeakPolarHBondContact CA-O 3.43Å; A143-F175 HydrophobicContact CB-CZ 4.21Å; A143-M260 HydrophobicContact CB-CE 3.63Å; A143-M260 HydrophobicContact CB-SD 3.31Å; A143-M260 WeakPolarHBondContact CB-SD 3.21Å; A143-M260 VanDerWaalsContact O-CE 3.28Å; A143-M260 WeakPolarHBondContact O-CE 3.5Å
144A93.6Very high95.8Very high40 Ų4033.2 Ų33.233%0.33118%0.176SC..Hα-helixtrans-64.4-21.917300000113.4S140 G141 L142 N146S140-A144 PolarHBondContact O-N 2.83Å; G141-A144 WeakPolarHBondContact O-CA 3.18Å; G141-A144 WeakPolarHBondContact O-CB 3.45Å; G141-A144 PolarHBondContact O-N 2.97Å; G141-A144 VanDerWaalsContact O-N 3.12Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.48Å; A144-N146 PolarHBondContact O-N 2.73Å
145L94Very high95.8Very high9 Ų932.5 Ų32.55%0.04717%0.17CC..THydrogen-bonded Turntrans-86.619.6169.7-61.1-178.9000113.1G141 L142 A143 Q147 H200 Y224 Y245 V250 L253G141-L145 WeakPolarHBondContact O-CG 3.47Å; G141-L145 PolarHBondContact O-N 2.99Å; L142-L145 CarbonylContact O-C 3.53Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 WeakPolarHBondContact O-CB 3.46Å; L142-L145 PolarHBondContact O-N 2.73Å; A143-L145 PolarHBondContact O-N 2.92Å; L145-Q147 VanDerWaalsContact C-N 3.32Å; L145-Q147 PolarHBondContact O-N 3.43Å; L145-H200 PolarHBondContact O-CE1 2.58Å; L145-H200 PolarHBondContact O-NE2 2.54Å; L145-H200 VanDerWaalsContact O-NE2 3.13Å; L145-Y224 HydrophobicContact CD2-CE1 4.47Å; L145-Y224 WeakPolarHBondContact O-CE2 3.49Å; L145-Y245 HydrophobicContact CD1-CD2 3.83Å; L145-Y245 HydrophobicContact CD1-CE2 4.01Å; L145-Y245 HydrophobicContact CD1-CG 4.13Å; L145-Y245 HydrophobicContact CD2-CD2 4.38Å; L145-Y245 HydrophobicContact CD2-CE1 4.06Å; L145-Y245 HydrophobicContact CD2-CE2 3.74Å; L145-V250 HydrophobicContact CD1-CG1 4.41Å; L145-V250 HydrophobicContact CD1-CG2 3.98Å; L145-L253 HydrophobicContact CD2-CD1 4.07Å
146N93.1Very high95.7Very high113 Ų11332.5 Ų32.560%0.60417%0.17SC*.THydrogen-bonded Turntrans69.418.3-179.2-55.5-68.6000115.3A143 A144A143-N146 WeakPolarHBondContact O-CA 3.33Å; A143-N146 PolarHBondContact O-N 3.03Å; A144-N146 PolarHBondContact O-N 2.73Å
147Q94.8Very high95.6Very high7 Ų728.3 Ų28.33%0.03315%0.152CC..  trans-69.3137.1166.1-170.661.33.100110.3L142 A143 L145 H151 N152 F175 H200L142-Q147 HydrophobicContact CB-CB 4.21Å; L142-Q147 WeakPolarHBondContact O-CB 3.48Å; L142-Q147 PolarHBondContact O-N 2.79Å; L142-Q147 VanDerWaalsContact O-N 3.07Å; A143-Q147 WeakPolarHBondContact CA-O 3.43Å; L145-Q147 VanDerWaalsContact C-N 3.32Å; L145-Q147 PolarHBondContact O-N 3.43Å; Q147-H151 PolarHBondContact NE2-O 3.39Å; Q147-N152 PolarHBondContact NE2-O 3.2Å; Q147-F175 HydrophobicContact CB-CE1 4.42Å; Q147-F175 HydrophobicContact CB-CE2 4.2Å; Q147-F175 HydrophobicContact CB-CZ 4.06Å; Q147-F175 HydrophobicContact CG-CD1 3.81Å; Q147-F175 HydrophobicContact CG-CD2 3.74Å; Q147-F175 HydrophobicContact CG-CE1 3.8Å; Q147-F175 HydrophobicContact CG-CE2 3.72Å; Q147-F175 HydrophobicContact CG-CG 3.78Å; Q147-F175 HydrophobicContact CG-CZ 3.74Å; Q147-H200 PolarHBondContact OE1-CE1 3.41Å; Q147-H200 PolarHBondContact OE1-ND1 2.9Å
148K93.6Very high95.4Very high124 Ų12430.1 Ų30.154%0.53916%0.157SC..  trans-121.4149.9-174.1-67.2178.7178.9177.60111.5H151 F175K148-H151 HydrophobicContact CB-CB 4.47Å; K148-H151 WeakPolarHBondContact O-CB 3.28Å; K148-H151 PolarHBondContact O-N 3.01Å; K148-H151 VanDerWaalsContact O-N 3.13Å; K148-F175 VanDerWaalsContact C-CE1 3.44Å; K148-F175 VanDerWaalsContact O-CD1 3.28Å; K148-F175 WeakPolarHBondContact O-CD1 3.32Å
149P94.4Very high95.3Very high37 Ų3731.3 Ų31.324%0.2417%0.165CC..THydrogen-bonded Turntrans-50.6145169.3-27.836.1000111.8H151 N174 R263P149-H151 PolarHBondContact O-N 2.73Å; P149-H151 VanDerWaalsContact O-N 3.12Å; P149-H151 PolarHBondContact O-ND1 3.22Å; P149-N174 CarbonylContact C-O 3.57Å; P149-N174 WeakPolarHBondContact CA-O 3.46Å; P149-N174 HydrophobicContact CB-CB 4.39Å; P149-R263 HydrophobicContact CB-CB 4.21Å; P149-R263 HydrophobicContact CG-CB 4.18Å
150H94.5Very high95.3Very high70 Ų7033.8 Ų33.832%0.32417%0.174SC..THydrogen-bonded Turntrans60.86.2-175.1-47.8-80.4000116.2N174 R263 D269H150-N174 PolarHBondContact CE1-ND2 2.95Å; H150-N174 PolarHBondContact N-O 3.34Å; H150-R263 WeakPolarHBondContact NE2-CD 3.22Å; H150-R263 PolarHBondContact NE2-NH1 3.02Å; H150-D269 IonicContact CE1-OD1 3.61Å; H150-D269 PolarHBondContact CE1-OD1 2.89Å; H150-D269 VanDerWaalsContact CE1-OD1 3.28Å; H150-D269 IonicContact CE1-OD2 3.88Å; H150-D269 IonicContact ND1-OD1 3.38Å
151H95.9Very high95.4Very high104 Ų10433.3 Ų33.348%0.48117%0.17SC..  trans-95.4134.7173.3-66.258.3000109.9Q147 K148 P149 P176Q147-H151 PolarHBondContact NE2-O 3.39Å; K148-H151 HydrophobicContact CB-CB 4.47Å; K148-H151 WeakPolarHBondContact O-CB 3.28Å; K148-H151 PolarHBondContact O-N 3.01Å; K148-H151 VanDerWaalsContact O-N 3.13Å; P149-H151 PolarHBondContact O-N 2.73Å; P149-H151 VanDerWaalsContact O-N 3.12Å; P149-H151 PolarHBondContact O-ND1 3.22Å; H151-P176 WeakPolarHBondContact O-CD 3.36Å
152N98.1Very high95.5Very high21 Ų2135.2 Ų35.211%0.11218%0.18CC..  trans-65.3143.3-176.3-63.5-24.2000111.3Q147 P176 V178 T196 V198 I273 Y529Q147-N152 PolarHBondContact NE2-O 3.2Å; N152-P176 WeakPolarHBondContact CA-O 3.36Å; N152-P176 WeakPolarHBondContact OD1-CB 3.31Å; N152-V178 HydrophobicContact CB-CG2 3.88Å; N152-T196 PolarHBondContact ND2-O 3.35Å; N152-V198 HydrophobicContact CB-CG1 3.67Å; N152-I273 WeakPolarHBondContact OD1-CD1 3.49Å; N152-Y529 PolarHBondContact ND2-OH 2.8Å
153I98.3Very high95.6Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-133.5136.1170.3178.9163.8000109L142 C170 F175 P176 L177 V178 H200 I202L142-I153 HydrophobicContact CD1-CD1 3.82Å; L142-I153 HydrophobicContact CD2-CD1 4Å; I153-C170 HydrophobicContact CG2-CB 4.45Å; I153-C170 WeakPolarHBondContact CG2-SG 3.45Å; I153-F175 HydrophobicContact CG2-CB 3.72Å; I153-P176 PolarHBondContact N-O 2.92Å; I153-L177 HydrophobicContact CG2-CD1 4.49Å; I153-L177 CarbonylContact O-C 2.84Å; I153-V178 PolarHBondContact O-N 3.44Å; I153-H200 HydrophobicContact CB-CB 4.49Å; I153-H200 HydrophobicContact CD1-CB 3.74Å; I153-H200 HydrophobicContact CG1-CB 3.77Å; I153-I202 HydrophobicContact CD1-CD1 3.84Å; I153-I202 HydrophobicContact CD1-CG1 4.31Å; I153-I202 HydrophobicContact CG1-CD1 4.35Å
154A98.3Very high95.8Very high0 Ų035.1 Ų35.10%018%0.178CC..EExtended strand (participates in β ladder)trans-95.7142.7-178.800000112.8V178 L193 V198 H200 I201 I202A154-V178 CarbonylContact C-O 3.58Å; A154-V178 WeakPolarHBondContact CA-O 3.45Å; A154-V178 HydrophobicContact CB-CB 4.24Å; A154-L193 HydrophobicContact CB-CD2 3.55Å; A154-V198 HydrophobicContact CB-CB 4.43Å; A154-V198 HydrophobicContact CB-CG1 4.17Å; A154-V198 HydrophobicContact CB-CG2 4.06Å; A154-H200 PolarHBondContact N-O 3.05Å; A154-I201 HydrophobicContact CB-CB 4.34Å; A154-I201 HydrophobicContact CB-CD1 4.39Å; A154-I201 HydrophobicContact CB-CG1 3.91Å; A154-I201 CarbonylContact O-C 3.33Å; A154-I201 VanDerWaalsContact O-CA 3.31Å; A154-I201 WeakPolarHBondContact O-CA 3.39Å; A154-I202 PolarHBondContact O-N 2.88Å
155V97.8Very high96Very high0 Ų033.6 Ų33.60%016%0.164CC..EExtended strand (participates in β ladder)trans-115.8123.2161170.80000108.8C157 W163 A166 L177 V178 L180 I202V155-C157 HydrophobicContact CG1-CB 3.87Å; V155-W163 VanDerWaalsContact CG1-CD1 3.41Å; V155-W163 HydrophobicContact CG1-CD2 4.41Å; V155-W163 HydrophobicContact CG1-CG 4.11Å; V155-A166 HydrophobicContact CG2-CB 4.37Å; V155-L177 HydrophobicContact CB-CD1 4Å; V155-L177 HydrophobicContact CG2-CD1 3.44Å; V155-L177 VanDerWaalsContact CG2-CD1 3.44Å; V155-V178 PolarHBondContact N-O 2.85Å; V155-L180 PolarHBondContact O-N 2.83Å; V155-L180 VanDerWaalsContact O-N 3.14Å; V155-I202 WeakPolarHBondContact CA-O 3.29Å; V155-I202 HydrophobicContact CG2-CB 3.89Å; V155-I202 HydrophobicContact CG2-CD1 3.91Å; V155-I202 HydrophobicContact CG2-CG1 4.43Å; V155-I202 HydrophobicContact CG2-CG2 4.4Å
156F95.6Very high96.2Very high0 Ų033.2 Ų33.20%016%0.162CC..EExtended strand (participates in β ladder)trans-126.781173.4175.1-117.1000107.8L180 Y181 A182 I189 I201 I202 T203 L207 R211F156-L180 HydrophobicContact CB-CB 4.47Å; F156-L180 HydrophobicContact CD2-CB 4.04Å; F156-Y181 WeakPolarHBondContact CE2-O 3.27Å; F156-A182 VanDerWaalsContact CE2-CA 3.49Å; F156-A182 WeakPolarHBondContact CE2-O 3.35Å; F156-A182 WeakPolarHBondContact CZ-O 3.49Å; F156-I189 HydrophobicContact CE1-CD1 4.04Å; F156-I189 HydrophobicContact CE2-CD1 3.66Å; F156-I189 HydrophobicContact CE2-CG1 4.02Å; F156-I189 HydrophobicContact CZ-CD1 3.4Å; F156-I189 HydrophobicContact CZ-CG1 4.26Å; F156-I201 HydrophobicContact CB-CD1 3.94Å; F156-I201 HydrophobicContact CB-CG1 4.36Å; F156-I202 PolarHBondContact N-O 3.05Å; F156-T203 VanDerWaalsContact O-CA 3.23Å; F156-T203 WeakPolarHBondContact O-CA 3.12Å; F156-T203 VanDerWaalsContact O-CB 3.23Å; F156-T203 WeakPolarHBondContact O-CB 3.47Å; F156-T203 PolarHBondContact O-OG1 3.31Å; F156-L207 HydrophobicContact CD1-CB 4.06Å; F156-L207 HydrophobicContact CD1-CD1 4.19Å; F156-L207 HydrophobicContact CE1-CB 3.65Å; F156-L207 HydrophobicContact CE1-CD1 4.08Å; F156-L207 HydrophobicContact CE1-CD2 4.05Å; F156-L207 HydrophobicContact CE1-CG 4.14Å; F156-L207 HydrophobicContact CZ-CB 4.38Å; F156-L207 HydrophobicContact CZ-CD1 4.29Å; F156-L207 HydrophobicContact CZ-CD2 3.91Å; F156-L207 HydrophobicContact CZ-CG 4.42Å; F156-L207 WeakPolarHBondContact O-CD1 3.4Å; F156-R211 HydrophobicContact CE1-CB 3.96Å; F156-R211 HydrophobicContact CZ-CB 3.98Å; F156-R211 HydrophobicContact CZ-CG 4.2Å
157C94.7Very high96.5Very high5 Ų527.9 Ų27.93%0.03413%0.134CC..  trans-149.3148.3-170.3-172.80000110.3V155V155-C157 HydrophobicContact CG1-CB 3.87Å
158E92.6Very high96.7Very high77 Ų7727.7 Ų27.736%0.3613%0.133SC..  trans-63.7162169.2-57.288.2165.600111.6R160 A182 S204 L207E158-R160 PolarHBondContact O-N 3.27Å; E158-A182 HydrophobicContact CG-CB 4.09Å; E158-S204 VanDerWaalsContact OE2-CB 3.31Å; E158-S204 WeakPolarHBondContact OE2-CB 3.28Å; E158-S204 PolarHBondContact OE2-OG 2.84Å; E158-L207 WeakPolarHBondContact OE1-CG 3.49Å; E158-L207 WeakPolarHBondContact OE2-CD1 3.25Å
159T94.6Very high96.9Very high25 Ų2521.8 Ų21.815%0.15311%0.107CC..SBendtrans-63.9117.3176.8-64.90000111.2L317 P318 L319 Y340T159-L317 WeakPolarHBondContact CB-O 3.04Å; T159-L317 PolarHBondContact OG1-O 3.08Å; T159-P318 VanDerWaalsContact OG1-CA 3.32Å; T159-P318 WeakPolarHBondContact OG1-CA 3.14Å; T159-L319 HydrophobicContact CG2-CD1 3.81Å; T159-L319 HydrophobicContact CG2-CG 3.9Å; T159-L319 PolarHBondContact OG1-N 3.28Å; T159-Y340 HydrophobicContact CG2-CD1 3.71Å; T159-Y340 HydrophobicContact CG2-CE1 3.94Å
160R95.9Very high97Very high52 Ų5220 Ų2020%0.19610%0.095CC..SBendtrans-164.1167.5-179.362.8-169.3-67.5176.5-5.2111.1E158 E162 W163 V228 D229E158-R160 PolarHBondContact O-N 3.27Å; R160-E162 VanDerWaalsContact C-N 3.29Å; R160-E162 HydrophobicContact CG-CB 4.26Å; R160-E162 WeakPolarHBondContact CG-OE2 3.43Å; R160-E162 IonicContact CZ-OE1 2.92Å; R160-E162 IonicContact CZ-OE2 2.99Å; R160-E162 VanDerWaalsContact NE-CD 3.25Å; R160-E162 IonicContact NE-OE1 3.55Å; R160-E162 IonicContact NE-OE2 3.8Å; R160-E162 PolarHBondContact NE-OE2 2.67Å; R160-E162 VanDerWaalsContact NH2-CD 3.3Å; R160-E162 IonicContact NH2-OE1 3.76Å; R160-E162 PolarHBondContact NH2-OE1 3.33Å; R160-E162 IonicContact NH2-OE2 4Å; R160-E162 PolarHBondContact O-N 3.36Å; R160-W163 HydrophobicContact CG-CB 4.33Å; R160-W163 WeakPolarHBondContact O-CB 3.49Å; R160-W163 PolarHBondContact O-N 3.39Å; R160-V228 VanDerWaalsContact NH1-CG2 3.31Å; R160-D229 IonicContact CZ-OD1 3.28Å; R160-D229 IonicContact NH1-OD1 3.56Å; R160-D229 PolarHBondContact NH1-OD1 3.15Å; R160-D229 IonicContact NH1-OD2 3.88Å; R160-D229 IonicContact NH2-OD1 3.7Å
161A97.6Very high97.2Very high4 Ų416.7 Ų16.73%0.0338%0.08CC..Hα-helixtrans-57.1-41-178.800000113.2L96 W163 V164 I165 Y340L96-A161 HydrophobicContact CB-CB 3.99Å; L96-A161 HydrophobicContact CD1-CB 4.23Å; A161-W163 PolarHBondContact O-N 2.75Å; A161-V164 PolarHBondContact O-N 2.95Å; A161-V164 VanDerWaalsContact O-N 3.11Å; A161-I165 WeakPolarHBondContact O-CG1 3.45Å; A161-I165 PolarHBondContact O-N 2.62Å; A161-Y340 HydrophobicContact CB-CD2 3.83Å; A161-Y340 HydrophobicContact CB-CE2 3.61Å; A161-Y340 VanDerWaalsContact N-CD2 3.32Å; A161-Y340 VanDerWaalsContact N-CE2 3.28Å
162E97.8Very high97.2Very high41 Ų4111.8 Ų11.819%0.1926%0.058CC..Hα-helixtrans-61.9-31.2179.4-62.990152.700112.3R160 I165 A166 V228 M247R160-E162 VanDerWaalsContact C-N 3.29Å; R160-E162 HydrophobicContact CG-CB 4.26Å; R160-E162 WeakPolarHBondContact CG-OE2 3.43Å; R160-E162 IonicContact CZ-OE1 2.92Å; R160-E162 IonicContact CZ-OE2 2.99Å; R160-E162 VanDerWaalsContact NE-CD 3.25Å; R160-E162 IonicContact NE-OE1 3.55Å; R160-E162 IonicContact NE-OE2 3.8Å; R160-E162 PolarHBondContact NE-OE2 2.67Å; R160-E162 VanDerWaalsContact NH2-CD 3.3Å; R160-E162 IonicContact NH2-OE1 3.76Å; R160-E162 PolarHBondContact NH2-OE1 3.33Å; R160-E162 IonicContact NH2-OE2 4Å; R160-E162 PolarHBondContact O-N 3.36Å; E162-I165 PolarHBondContact O-N 3.42Å; E162-A166 VanDerWaalsContact O-CB 3.28Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 2.89Å; E162-V228 HydrophobicContact CB-CB 3.89Å; E162-V228 HydrophobicContact CB-CG1 3.85Å; E162-V228 HydrophobicContact CG-CB 4.18Å; E162-M247 HydrophobicContact CB-CE 4.43Å; E162-M247 HydrophobicContact CB-SD 3.69Å; E162-M247 HydrophobicContact CG-SD 3.94Å
163W97.9Very high97.1Very high1 Ų112 Ų120%0.0046%0.057CC..Hα-helixtrans-62.2-47.6174.5-167.3114.9000110.4V155 R160 A161 A166 A167 L177 T179 L319 L325V155-W163 VanDerWaalsContact CG1-CD1 3.41Å; V155-W163 HydrophobicContact CG1-CD2 4.41Å; V155-W163 HydrophobicContact CG1-CG 4.11Å; R160-W163 HydrophobicContact CG-CB 4.33Å; R160-W163 WeakPolarHBondContact O-CB 3.49Å; R160-W163 PolarHBondContact O-N 3.39Å; A161-W163 PolarHBondContact O-N 2.75Å; W163-A166 WeakPolarHBondContact O-CB 3.37Å; W163-A166 PolarHBondContact O-N 2.87Å; W163-A167 HydrophobicContact CE3-CB 3.91Å; W163-A167 HydrophobicContact CH2-CB 4.3Å; W163-A167 HydrophobicContact CZ3-CB 3.55Å; W163-A167 PolarHBondContact O-N 3.14Å; W163-L177 HydrophobicContact CH2-CD2 4.1Å; W163-T179 HydrophobicContact CH2-CG2 4.06Å; W163-T179 HydrophobicContact CZ2-CG2 3.67Å; W163-L319 HydrophobicContact CB-CD1 3.76Å; W163-L319 HydrophobicContact CD2-CB 3.56Å; W163-L319 HydrophobicContact CD2-CD1 3.61Å; W163-L319 HydrophobicContact CD2-CG 4.11Å; W163-L319 VanDerWaalsContact CE2-CB 3.5Å; W163-L319 HydrophobicContact CE3-CB 3.81Å; W163-L319 HydrophobicContact CE3-CD1 3.56Å; W163-L319 HydrophobicContact CE3-CD2 4.03Å; W163-L319 HydrophobicContact CE3-CG 4.02Å; W163-L319 HydrophobicContact CG-CB 4.08Å; W163-L319 HydrophobicContact CG-CD1 3.69Å; W163-L319 HydrophobicContact CH2-CB 4.03Å; W163-L319 HydrophobicContact CZ2-CB 3.77Å; W163-L319 WeakPolarHBondContact CZ2-O 3.42Å; W163-L319 HydrophobicContact CZ3-CB 4.04Å; W163-L319 HydrophobicContact CZ3-CD1 4.37Å; W163-L319 HydrophobicContact CZ3-CD2 4.02Å; W163-L319 HydrophobicContact CZ3-CG 4.39Å; W163-L325 HydrophobicContact CH2-CD1 3.85Å; W163-L325 HydrophobicContact CZ3-CD1 3.72Å
164V98.3Very high97Very high8 Ų812 Ų125%0.0486%0.057CC..Hα-helixtrans-68.8-40.3179.2171.20000111.4L96 A161 A166 A167 Q168 L319 E328 I332 Y340L96-V164 HydrophobicContact CD1-CB 4.37Å; L96-V164 HydrophobicContact CD1-CG1 4.26Å; L96-V164 HydrophobicContact CD2-CG1 4.24Å; A161-V164 PolarHBondContact O-N 2.95Å; A161-V164 VanDerWaalsContact O-N 3.11Å; V164-A166 VanDerWaalsContact C-N 3.28Å; V164-A166 PolarHBondContact O-N 3.35Å; V164-A167 PolarHBondContact O-N 3.03Å; V164-Q168 HydrophobicContact CG1-CG 4.09Å; V164-Q168 WeakPolarHBondContact O-CB 3.3Å; V164-Q168 VanDerWaalsContact O-CG 3.26Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3Å; V164-L319 HydrophobicContact CG2-CD1 3.88Å; V164-L319 HydrophobicContact CG2-CD2 4.34Å; V164-E328 WeakPolarHBondContact CG2-OE2 3.39Å; V164-I332 HydrophobicContact CG1-CD1 3.76Å; V164-Y340 WeakPolarHBondContact CG2-OH 3.39Å
165I98.6Very high97Very high8 Ų812.2 Ų12.24%0.0416%0.058CC..Hα-helixtrans-58.4-44174.1-65.7167.2000110.3L96 L126 A134 A135 A161 E162 A169 M247L96-I165 HydrophobicContact CD1-CD1 4.27Å; L96-I165 HydrophobicContact CD1-CG1 3.8Å; L126-I165 HydrophobicContact CD1-CD1 3.82Å; A134-I165 HydrophobicContact CB-CD1 4.27Å; A134-I165 HydrophobicContact CB-CG2 3.97Å; A135-I165 HydrophobicContact CB-CG2 4.25Å; A161-I165 WeakPolarHBondContact O-CG1 3.45Å; A161-I165 PolarHBondContact O-N 2.62Å; E162-I165 PolarHBondContact O-N 3.42Å; I165-A169 WeakPolarHBondContact O-CB 3.16Å; I165-A169 PolarHBondContact O-N 3.02Å; I165-M247 HydrophobicContact CB-CE 3.84Å; I165-M247 HydrophobicContact CG2-CE 3.45Å; I165-M247 VanDerWaalsContact CG2-CE 3.45Å
166A98.5Very high97Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-62.2-45.3175.200000112.3F138 V155 E162 W163 V164 A169 C170 I202F138-A166 HydrophobicContact CD1-CB 4.36Å; F138-A166 HydrophobicContact CE1-CB 3.77Å; V155-A166 HydrophobicContact CG2-CB 4.37Å; E162-A166 VanDerWaalsContact O-CB 3.28Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 2.89Å; W163-A166 WeakPolarHBondContact O-CB 3.37Å; W163-A166 PolarHBondContact O-N 2.87Å; V164-A166 VanDerWaalsContact C-N 3.28Å; V164-A166 PolarHBondContact O-N 3.35Å; A166-A169 WeakPolarHBondContact O-CB 3.08Å; A166-A169 PolarHBondContact O-N 2.98Å; A166-C170 PolarHBondContact O-N 2.97Å; A166-C170 PolarHBondContact O-SG 3.36Å; A166-I202 HydrophobicContact CB-CD1 3.82Å; A166-I202 HydrophobicContact CB-CG2 4.43Å
167A98.5Very high97.1Very high2 Ų212.6 Ų12.62%0.0176%0.06CC..Hα-helixtrans-62.9-45.9178.300000112W163 V164 A169 C170 F171 L177W163-A167 HydrophobicContact CE3-CB 3.91Å; W163-A167 HydrophobicContact CH2-CB 4.3Å; W163-A167 HydrophobicContact CZ3-CB 3.55Å; W163-A167 PolarHBondContact O-N 3.14Å; V164-A167 PolarHBondContact O-N 3.03Å; A167-A169 VanDerWaalsContact C-N 3.31Å; A167-A169 PolarHBondContact O-N 3.19Å; A167-C170 WeakPolarHBondContact O-CB 3.4Å; A167-C170 PolarHBondContact O-N 2.95Å; A167-C170 VanDerWaalsContact O-N 3.12Å; A167-F171 HydrophobicContact CB-CE2 4.03Å; A167-F171 HydrophobicContact CB-CZ 4.04Å; A167-F171 WeakPolarHBondContact O-CD1 3.47Å; A167-F171 VanDerWaalsContact O-CD2 3.23Å; A167-F171 WeakPolarHBondContact O-CD2 3.39Å; A167-F171 WeakPolarHBondContact O-CG 3.15Å; A167-F171 PolarHBondContact O-N 3.33Å; A167-L177 HydrophobicContact CB-CD2 3.63Å
168Q98.4Very high97.3Very high2 Ų212.3 Ų12.31%0.0096%0.059CC..Hα-helixtrans-62.1-39.1176.3-66.7-62-11.100111.8F83 A135 V164 F171 M172F83-Q168 HydrophobicContact CD1-CB 3.69Å; F83-Q168 HydrophobicContact CD1-CG 3.63Å; F83-Q168 HydrophobicContact CE1-CB 3.72Å; F83-Q168 HydrophobicContact CE1-CG 3.7Å; F83-Q168 HydrophobicContact CG-CG 4.22Å; F83-Q168 HydrophobicContact CZ-CG 4.34Å; A135-Q168 HydrophobicContact CB-CB 3.82Å; V164-Q168 HydrophobicContact CG1-CG 4.09Å; V164-Q168 WeakPolarHBondContact O-CB 3.3Å; V164-Q168 VanDerWaalsContact O-CG 3.26Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3Å; Q168-F171 PolarHBondContact O-N 3.4Å; Q168-M172 WeakPolarHBondContact O-CB 3.23Å; Q168-M172 VanDerWaalsContact O-CG 3.27Å; Q168-M172 WeakPolarHBondContact O-CG 3.32Å; Q168-M172 PolarHBondContact O-N 3.36Å
169A97.9Very high97.5Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-60.6-44.9172.500000111.7A135 F138 I165 A166 A167 F171 M172 Y173A135-A169 HydrophobicContact CB-CB 4.4Å; A135-A169 WeakPolarHBondContact O-CB 3.31Å; F138-A169 HydrophobicContact CB-CB 4.27Å; F138-A169 HydrophobicContact CD1-CB 3.68Å; F138-A169 HydrophobicContact CG-CB 4.44Å; I165-A169 WeakPolarHBondContact O-CB 3.16Å; I165-A169 PolarHBondContact O-N 3.02Å; A166-A169 WeakPolarHBondContact O-CB 3.08Å; A166-A169 PolarHBondContact O-N 2.98Å; A167-A169 VanDerWaalsContact C-N 3.31Å; A167-A169 PolarHBondContact O-N 3.19Å; A169-F171 VanDerWaalsContact C-N 3.32Å; A169-F171 PolarHBondContact O-N 3.45Å; A169-M172 PolarHBondContact O-N 3.49Å; A169-Y173 VanDerWaalsContact O-CD2 3.31Å; A169-Y173 WeakPolarHBondContact O-CD2 3.3Å; A169-Y173 PolarHBondContact O-N 3.46Å
170C98.2Very high97.3Very high0 Ų07.5 Ų7.50%03%0.034CC..Hα-helixtrans-60.1-43.2176.7-65.40000111.4I153 A166 A167 Y173 N174 F175 L177I153-C170 HydrophobicContact CG2-CB 4.45Å; I153-C170 WeakPolarHBondContact CG2-SG 3.45Å; A166-C170 PolarHBondContact O-N 2.97Å; A166-C170 PolarHBondContact O-SG 3.36Å; A167-C170 WeakPolarHBondContact O-CB 3.4Å; A167-C170 PolarHBondContact O-N 2.95Å; A167-C170 VanDerWaalsContact O-N 3.12Å; C170-Y173 PolarHBondContact O-N 3.17Å; C170-N174 PolarHBondContact O-N 2.95Å; C170-F175 HydrophobicContact CB-CB 4.14Å; C170-F175 WeakPolarHBondContact CB-O 3.37Å; C170-F175 PolarHBondContact O-N 2.98Å; C170-L177 HydrophobicContact CB-CB 4.2Å
171F98.1Very high96.8Very high1 Ų15.7 Ų5.70%0.0043%0.027CC..Hα-helixtrans-63.9-43.5176.6-56.1-26.8000112.6L79 A167 Q168 A169 Y173 N174 A271 V272 L329L79-F171 HydrophobicContact CB-CB 4.01Å; L79-F171 HydrophobicContact CB-CD2 3.75Å; L79-F171 HydrophobicContact CB-CE2 4.45Å; L79-F171 HydrophobicContact CB-CG 3.9Å; L79-F171 HydrophobicContact CD1-CD1 3.93Å; L79-F171 HydrophobicContact CD1-CD2 3.77Å; L79-F171 HydrophobicContact CD1-CE1 3.91Å; L79-F171 HydrophobicContact CD1-CE2 3.75Å; L79-F171 HydrophobicContact CD1-CG 3.89Å; L79-F171 HydrophobicContact CD1-CZ 3.82Å; L79-F171 HydrophobicContact CG-CD2 4.36Å; A167-F171 HydrophobicContact CB-CE2 4.03Å; A167-F171 HydrophobicContact CB-CZ 4.04Å; A167-F171 WeakPolarHBondContact O-CD1 3.47Å; A167-F171 VanDerWaalsContact O-CD2 3.23Å; A167-F171 WeakPolarHBondContact O-CD2 3.39Å; A167-F171 WeakPolarHBondContact O-CG 3.15Å; A167-F171 PolarHBondContact O-N 3.33Å; Q168-F171 PolarHBondContact O-N 3.4Å; A169-F171 VanDerWaalsContact C-N 3.32Å; A169-F171 PolarHBondContact O-N 3.45Å; F171-Y173 VanDerWaalsContact C-N 3.27Å; F171-Y173 PolarHBondContact O-N 2.91Å; F171-N174 PolarHBondContact O-N 3.29Å; F171-A271 HydrophobicContact CD1-CB 4.12Å; F171-A271 HydrophobicContact CE1-CB 4.03Å; F171-V272 HydrophobicContact CE1-CG2 3.72Å; F171-V272 HydrophobicContact CZ-CG2 3.93Å; F171-L329 HydrophobicContact CE2-CD2 4.43Å
172M96.4Very high96Very high1 Ų16.2 Ų6.21%0.0053%0.032CC..Hα-helixtrans-64.9-26.3-179.1-74.9-176.2-164.400115D80 F83 Y132 A135 K136 Q168 A169 R262D80-M172 HydrophobicContact CB-CB 4.43Å; D80-M172 HydrophobicContact CB-CG 4.06Å; F83-M172 HydrophobicContact CD1-CE 3.35Å; F83-M172 HydrophobicContact CE1-CE 3.67Å; F83-M172 HydrophobicContact CG-CE 4.48Å; Y132-M172 HydrophobicContact CD2-CE 3.42Å; Y132-M172 VanDerWaalsContact CD2-CE 3.42Å; Y132-M172 HydrophobicContact CE2-CE 3.41Å; Y132-M172 VanDerWaalsContact CE2-CE 3.41Å; Y132-M172 HydrophobicContact CE2-SD 4.34Å; Y132-M172 HydrophobicContact CG-CE 4.18Å; A135-M172 HydrophobicContact CB-CE 3.82Å; A135-M172 HydrophobicContact CB-SD 4.28Å; K136-M172 HydrophobicContact CB-SD 4.23Å; Q168-M172 WeakPolarHBondContact O-CB 3.23Å; Q168-M172 VanDerWaalsContact O-CG 3.27Å; Q168-M172 WeakPolarHBondContact O-CG 3.32Å; Q168-M172 PolarHBondContact O-N 3.36Å; A169-M172 PolarHBondContact O-N 3.49Å; M172-R262 PolarHBondContact O-NE 3.47Å; M172-R262 PolarHBondContact O-NH2 3.31Å
173Y95.7Very high94.8Very high25 Ų256.2 Ų6.210%0.0984%0.035CC..THydrogen-bonded Turntrans-1149.8-176.6-69.6-97.3000112.6K136 G139 S140 A169 C170 F171 F175K136-Y173 WeakPolarHBondContact O-CE2 3.12Å; K136-Y173 PolarHBondContact O-OH 3.46Å; G139-Y173 VanDerWaalsContact CA-CE2 3.5Å; S140-Y173 WeakPolarHBondContact CB-OH 3.47Å; S140-Y173 VanDerWaalsContact N-CZ 3.27Å; S140-Y173 PolarHBondContact N-OH 2.63Å; A169-Y173 VanDerWaalsContact O-CD2 3.31Å; A169-Y173 WeakPolarHBondContact O-CD2 3.3Å; A169-Y173 PolarHBondContact O-N 3.46Å; C170-Y173 PolarHBondContact O-N 3.17Å; F171-Y173 VanDerWaalsContact C-N 3.27Å; F171-Y173 PolarHBondContact O-N 2.91Å; Y173-F175 VanDerWaalsContact C-N 3.34Å; Y173-F175 VanDerWaalsContact CB-CZ 3.45Å; Y173-F175 HydrophobicContact CG-CE2 4.29Å; Y173-F175 HydrophobicContact CG-CZ 4.23Å; Y173-F175 VanDerWaalsContact O-CD1 3.29Å; Y173-F175 WeakPolarHBondContact O-CD1 3.27Å; Y173-F175 VanDerWaalsContact O-CE1 3.3Å; Y173-F175 WeakPolarHBondContact O-CE1 3.42Å; Y173-F175 PolarHBondContact O-N 3.27Å
174N96.3Very high93.7Very high1 Ų17 Ų71%0.0054%0.039CC..THydrogen-bonded Turntrans55.746178-161.22.1000112.6P149 H150 C170 F171 P176 P265 D269P149-N174 CarbonylContact C-O 3.57Å; P149-N174 WeakPolarHBondContact CA-O 3.46Å; P149-N174 HydrophobicContact CB-CB 4.39Å; H150-N174 PolarHBondContact CE1-ND2 2.95Å; H150-N174 PolarHBondContact N-O 3.34Å; C170-N174 PolarHBondContact O-N 2.95Å; F171-N174 PolarHBondContact O-N 3.29Å; N174-P176 WeakPolarHBondContact O-CD 3.31Å; N174-P265 HydrophobicContact CB-CB 4.19Å; N174-D269 PolarHBondContact ND2-OD2 3.4Å
175F97.3Very high92.5Very high4 Ų48.3 Ų8.32%0.0186%0.055CC..  trans-97.1110.1171.1-52-30.3000108.1L142 A143 Q147 K148 I153 C170 Y173 L177L142-F175 HydrophobicContact CB-CE2 3.97Å; L142-F175 HydrophobicContact CD1-CD2 4.43Å; L142-F175 HydrophobicContact CD1-CE2 4.39Å; A143-F175 HydrophobicContact CB-CZ 4.21Å; Q147-F175 HydrophobicContact CB-CE1 4.42Å; Q147-F175 HydrophobicContact CB-CE2 4.2Å; Q147-F175 HydrophobicContact CB-CZ 4.06Å; Q147-F175 HydrophobicContact CG-CD1 3.81Å; Q147-F175 HydrophobicContact CG-CD2 3.74Å; Q147-F175 HydrophobicContact CG-CE1 3.8Å; Q147-F175 HydrophobicContact CG-CE2 3.72Å; Q147-F175 HydrophobicContact CG-CG 3.78Å; Q147-F175 HydrophobicContact CG-CZ 3.74Å; K148-F175 VanDerWaalsContact C-CE1 3.44Å; K148-F175 VanDerWaalsContact O-CD1 3.28Å; K148-F175 WeakPolarHBondContact O-CD1 3.32Å; I153-F175 HydrophobicContact CG2-CB 3.72Å; C170-F175 HydrophobicContact CB-CB 4.14Å; C170-F175 WeakPolarHBondContact CB-O 3.37Å; C170-F175 PolarHBondContact O-N 2.98Å; Y173-F175 VanDerWaalsContact C-N 3.34Å; Y173-F175 VanDerWaalsContact CB-CZ 3.45Å; Y173-F175 HydrophobicContact CG-CE2 4.29Å; Y173-F175 HydrophobicContact CG-CZ 4.23Å; Y173-F175 VanDerWaalsContact O-CD1 3.29Å; Y173-F175 WeakPolarHBondContact O-CD1 3.27Å; Y173-F175 VanDerWaalsContact O-CE1 3.3Å; Y173-F175 WeakPolarHBondContact O-CE1 3.42Å; Y173-F175 PolarHBondContact O-N 3.27Å; F175-L177 PolarHBondContact O-N 2.95Å
176P98.1Very high91.6Very high7 Ų710.7 Ų10.75%0.0457%0.071CC..  trans-57.1116.9175.3-2633.2000111.1H151 N152 I153 N174 V178 I270H151-P176 WeakPolarHBondContact O-CD 3.36Å; N152-P176 WeakPolarHBondContact CA-O 3.36Å; N152-P176 WeakPolarHBondContact OD1-CB 3.31Å; I153-P176 PolarHBondContact N-O 2.92Å; N174-P176 WeakPolarHBondContact O-CD 3.31Å; P176-V178 PolarHBondContact O-N 3.47Å; P176-I270 HydrophobicContact CB-CB 4.47Å; P176-I270 HydrophobicContact CB-CG2 4.3Å; P176-I270 WeakPolarHBondContact CB-O 3.42Å; P176-I270 WeakPolarHBondContact CG-O 3.41Å
177L98.5Very high90.8Very high0 Ų019.7 Ų19.70%011%0.109CC..EExtended strand (participates in β ladder)trans-85.5113-174.4176.766.2000110.7I153 V155 W163 A167 C170 F175 T179 A271 V272 I273I153-L177 HydrophobicContact CG2-CD1 4.49Å; I153-L177 CarbonylContact O-C 2.84Å; V155-L177 HydrophobicContact CB-CD1 4Å; V155-L177 HydrophobicContact CG2-CD1 3.44Å; V155-L177 VanDerWaalsContact CG2-CD1 3.44Å; W163-L177 HydrophobicContact CH2-CD2 4.1Å; A167-L177 HydrophobicContact CB-CD2 3.63Å; C170-L177 HydrophobicContact CB-CB 4.2Å; F175-L177 PolarHBondContact O-N 2.95Å; L177-T179 HydrophobicContact CD2-CG2 4.06Å; L177-T179 HydrophobicContact CG-CG2 4.01Å; L177-A271 WeakPolarHBondContact CB-O 3.41Å; L177-A271 PolarHBondContact N-O 3.03Å; L177-V272 CarbonylContact O-C 3.51Å; L177-V272 VanDerWaalsContact O-CA 3.25Å; L177-V272 WeakPolarHBondContact O-CA 3.26Å; L177-V272 WeakPolarHBondContact O-CG1 3.07Å; L177-I273 PolarHBondContact O-N 3.48Å
178V98.4Very high89.9Confident0 Ų020.6 Ų20.60%012%0.117CC..EExtended strand (participates in β ladder)trans-84.1121.7171.9-176.50000109.1N152 I153 A154 V155 P176 T196 V198 I273 Y275N152-V178 HydrophobicContact CB-CG2 3.88Å; I153-V178 PolarHBondContact O-N 3.44Å; A154-V178 CarbonylContact C-O 3.58Å; A154-V178 WeakPolarHBondContact CA-O 3.45Å; A154-V178 HydrophobicContact CB-CB 4.24Å; V155-V178 PolarHBondContact N-O 2.85Å; P176-V178 PolarHBondContact O-N 3.47Å; V178-T196 HydrophobicContact CG1-CG2 3.95Å; V178-T196 HydrophobicContact CG2-CG2 3.73Å; V178-V198 HydrophobicContact CG2-CG1 3.99Å; V178-I273 WeakPolarHBondContact CA-O 3.46Å; V178-I273 HydrophobicContact CG2-CB 4.18Å; V178-I273 HydrophobicContact CG2-CD1 4.22Å; V178-Y275 HydrophobicContact CG1-CD2 3.8Å; V178-Y275 HydrophobicContact CG1-CE2 3.65Å
179T96.2Very high89.4Confident0 Ų020.5 Ų20.50%012%0.117CC..EExtended strand (participates in β ladder)trans-106.8132.3178.267.80000111.2W163 L177 V272 I273 M274 Y275W163-T179 HydrophobicContact CH2-CG2 4.06Å; W163-T179 HydrophobicContact CZ2-CG2 3.67Å; L177-T179 HydrophobicContact CD2-CG2 4.06Å; L177-T179 HydrophobicContact CG-CG2 4.01Å; T179-V272 HydrophobicContact CG2-CG1 3.97Å; T179-I273 PolarHBondContact N-O 3.15Å; T179-M274 WeakPolarHBondContact OG1-CA 3.48Å; T179-M274 WeakPolarHBondContact OG1-CG 3.5Å; T179-Y275 WeakPolarHBondContact O-CB 3.45Å; T179-Y275 PolarHBondContact O-N 3.05Å
180L90.8Very high89.1Confident0 Ų021 Ų210%012%0.12CC..  trans-124.8136.3176.4-64.4173000109.1V155 F156 A182 L184 I189 L193 Y275V155-L180 PolarHBondContact O-N 2.83Å; V155-L180 VanDerWaalsContact O-N 3.14Å; F156-L180 HydrophobicContact CB-CB 4.47Å; F156-L180 HydrophobicContact CD2-CB 4.04Å; L180-A182 PolarHBondContact O-N 3.46Å; L180-L184 HydrophobicContact CB-CD1 4.16Å; L180-L184 HydrophobicContact CD2-CD1 4.03Å; L180-I189 HydrophobicContact CD1-CG2 4.2Å; L180-L193 HydrophobicContact CD1-CD2 3.73Å; L180-L193 HydrophobicContact CD1-CG 4.04Å; L180-Y275 HydrophobicContact CD2-CD2 3.69Å; L180-Y275 HydrophobicContact CD2-CE2 4.36Å; L180-Y275 HydrophobicContact CD2-CG 3.8Å
181Y84.4Confident88.7Confident14 Ų1424.1 Ų24.16%0.05514%0.135CC..  trans-64.7133.4175.2-74.6-93.4000110.4F156 T183 L184 Y275 P318 A320 H321 D685F156-Y181 WeakPolarHBondContact CE2-O 3.27Å; Y181-T183 PolarHBondContact O-N 3.07Å; Y181-L184 WeakPolarHBondContact O-CB 3.49Å; Y181-L184 WeakPolarHBondContact O-CG 3.41Å; Y181-L184 PolarHBondContact O-N 2.91Å; Y181-Y275 WeakPolarHBondContact CE2-O 3.39Å; Y181-P318 HydrophobicContact CD1-CB 4.09Å; Y181-P318 HydrophobicContact CD1-CG 4.49Å; Y181-P318 HydrophobicContact CE1-CB 4.09Å; Y181-P318 HydrophobicContact CE1-CG 4.44Å; Y181-A320 HydrophobicContact CD1-CB 4.15Å; Y181-A320 HydrophobicContact CD2-CB 4.33Å; Y181-A320 HydrophobicContact CE1-CB 4.45Å; Y181-A320 HydrophobicContact CG-CB 4.09Å; Y181-H321 HydrophobicContact CE1-CB 3.95Å; Y181-H321 WeakPolarHBondContact OH-CA 3.44Å; Y181-H321 VanDerWaalsContact OH-CB 3.28Å; Y181-H321 WeakPolarHBondContact OH-CB 3.29Å; Y181-H321 PolarHBondContact OH-CD2 2.45Å; Y181-D685 WeakPolarHBondContact CB-OD2 3.02Å; Y181-D685 HydrophobicContact CD1-CB 3.77Å; Y181-D685 WeakPolarHBondContact CD1-OD2 3.16Å; Y181-D685 HydrophobicContact CE1-CB 4.14Å
182A81.9Confident88.4Confident16 Ų1624.1 Ų24.113%0.13214%0.135CC..THydrogen-bonded Turntrans-57.7-22.1-179.600000113.8F156 E158 L180 L207F156-A182 VanDerWaalsContact CE2-CA 3.49Å; F156-A182 WeakPolarHBondContact CE2-O 3.35Å; F156-A182 WeakPolarHBondContact CZ-O 3.49Å; E158-A182 HydrophobicContact CG-CB 4.09Å; L180-A182 PolarHBondContact O-N 3.46Å; A182-L207 HydrophobicContact CB-CD1 3.77Å; A182-L207 HydrophobicContact CB-CD2 4.26Å; A182-L207 WeakPolarHBondContact O-CD2 3.31Å
183T72.9Confident88.3Confident41 Ų4124.2 Ų24.225%0.25214%0.136SC..THydrogen-bonded Turntrans-93.7-3.3-179.168.40000114.2Y181 G185 P678 D685Y181-T183 PolarHBondContact O-N 3.07Å; T183-G185 PolarHBondContact O-N 3.45Å; T183-P678 HydrophobicContact CG2-CB 4.08Å; T183-D685 WeakPolarHBondContact CB-OD1 3.47Å; T183-D685 WeakPolarHBondContact CG2-OD1 3.33Å; T183-D685 VanDerWaalsContact CG2-OD2 3.25Å; T183-D685 WeakPolarHBondContact CG2-OD2 3.36Å; T183-D685 PolarHBondContact OG1-OD1 3.01Å; T183-D685 PolarHBondContact OG1-OD2 3.35Å
184L74.6Confident88.3Confident16 Ų1626 Ų268%0.08415%0.147CC..  trans-55.6143.5-177.1-73.8177000110.9L180 Y181 A188 I189 P283L180-L184 HydrophobicContact CB-CD1 4.16Å; L180-L184 HydrophobicContact CD2-CD1 4.03Å; Y181-L184 WeakPolarHBondContact O-CB 3.49Å; Y181-L184 WeakPolarHBondContact O-CG 3.41Å; Y181-L184 PolarHBondContact O-N 2.91Å; L184-A188 HydrophobicContact CB-CB 4.22Å; L184-A188 HydrophobicContact CD2-CB 4.24Å; L184-I189 HydrophobicContact CB-CD1 4.33Å; L184-I189 HydrophobicContact CB-CG1 3.65Å; L184-I189 VanDerWaalsContact O-CD1 3.27Å; L184-I189 WeakPolarHBondContact O-CD1 3.37Å; L184-P283 HydrophobicContact CD2-CG 4.47Å
185G72.4Confident88.3Confident37 Ų3728 Ų2838%0.38116%0.156SC..  trans-66.6153.2173.100000111.3T183 K187 A188 I189T183-G185 PolarHBondContact O-N 3.45Å; G185-K187 VanDerWaalsContact C-N 3.29Å; G185-K187 PolarHBondContact O-N 3.42Å; G185-K187 VanDerWaalsContact O-N 3.13Å; G185-A188 WeakPolarHBondContact O-CB 3.5Å; G185-A188 PolarHBondContact O-N 2.97Å; G185-I189 WeakPolarHBondContact O-CG1 3.35Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å
186P80.4Confident88.2Confident58 Ų5827.8 Ų27.838%0.37716%0.155SC..Hα-helixtrans-45.3-47.1-179.8-33.237.4000114.6A188 I189 A190 I215P186-A188 PolarHBondContact O-N 3.13Å; P186-I189 PolarHBondContact O-N 3.06Å; P186-A190 PolarHBondContact O-N 3.2Å; P186-I215 HydrophobicContact CB-CG2 3.49Å; P186-I215 VanDerWaalsContact CB-CG2 3.49Å
187K81Confident88.1Confident188 Ų18831.4 Ų31.482%0.81717%0.172SC*.Hα-helixtrans-62.4-40.1179.5-66.9-176.7177.5-179.50113.3G185 H191G185-K187 VanDerWaalsContact C-N 3.29Å; G185-K187 PolarHBondContact O-N 3.42Å; G185-K187 VanDerWaalsContact O-N 3.13Å; K187-H191 WeakPolarHBondContact O-CB 3.42Å; K187-H191 PolarHBondContact O-N 2.6Å
188A80.8Confident88Confident22 Ų2231.5 Ų31.518%0.18217%0.172CC..Hα-helixtrans-69.8-38.5179.600000111.2L184 G185 P186 G192 P283L184-A188 HydrophobicContact CB-CB 4.22Å; L184-A188 HydrophobicContact CD2-CB 4.24Å; G185-A188 WeakPolarHBondContact O-CB 3.5Å; G185-A188 PolarHBondContact O-N 2.97Å; P186-A188 PolarHBondContact O-N 3.13Å; A188-G192 PolarHBondContact O-N 2.63Å; A188-G192 VanDerWaalsContact O-N 3.09Å; A188-P283 HydrophobicContact CB-CG 3.93Å
189I87.4Confident87.9Confident0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-63-52.8174.3-59.2164.3000109.5F156 L180 L184 G185 P186 H191 G192 L193 R211 I215F156-I189 HydrophobicContact CE1-CD1 4.04Å; F156-I189 HydrophobicContact CE2-CD1 3.66Å; F156-I189 HydrophobicContact CE2-CG1 4.02Å; F156-I189 HydrophobicContact CZ-CD1 3.4Å; F156-I189 HydrophobicContact CZ-CG1 4.26Å; L180-I189 HydrophobicContact CD1-CG2 4.2Å; L184-I189 HydrophobicContact CB-CD1 4.33Å; L184-I189 HydrophobicContact CB-CG1 3.65Å; L184-I189 VanDerWaalsContact O-CD1 3.27Å; L184-I189 WeakPolarHBondContact O-CD1 3.37Å; G185-I189 WeakPolarHBondContact O-CG1 3.35Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å; P186-I189 PolarHBondContact O-N 3.06Å; I189-H191 VanDerWaalsContact C-N 3.28Å; I189-H191 PolarHBondContact O-N 3.3Å; I189-G192 PolarHBondContact O-N 3.09Å; I189-G192 VanDerWaalsContact O-N 3.16Å; I189-L193 HydrophobicContact CG2-CD1 3.77Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 WeakPolarHBondContact O-CG 3.19Å; I189-L193 PolarHBondContact O-N 3.35Å; I189-R211 HydrophobicContact CD1-CB 4.21Å; I189-I215 HydrophobicContact CB-CD1 3.76Å; I189-I215 HydrophobicContact CG2-CD1 3.42Å; I189-I215 VanDerWaalsContact CG2-CD1 3.42Å
190A91Very high88Confident9 Ų933.4 Ų33.47%0.07418%0.184CC..Hα-helixtrans-57.9-41179.500000112.1P186 N194 I215 D218 V219P186-A190 PolarHBondContact O-N 3.2Å; A190-N194 VanDerWaalsContact O-CB 3.3Å; A190-N194 WeakPolarHBondContact O-CB 3.4Å; A190-N194 PolarHBondContact O-N 3.23Å; A190-N194 PolarHBondContact O-ND2 3.2Å; A190-I215 HydrophobicContact CB-CB 4.43Å; A190-I215 HydrophobicContact CB-CD1 4.12Å; A190-D218 HydrophobicContact CB-CB 4.23Å; A190-V219 HydrophobicContact CB-CG1 4.19Å
191H89.6Confident88.4Confident67 Ų6733.4 Ų33.431%0.3118%0.184SC..Hα-helixtrans-58.1-52174.417463.3000112.2K187 I189 L193 N194 E195 I282K187-H191 WeakPolarHBondContact O-CB 3.42Å; K187-H191 PolarHBondContact O-N 2.6Å; I189-H191 VanDerWaalsContact C-N 3.28Å; I189-H191 PolarHBondContact O-N 3.3Å; H191-L193 PolarHBondContact O-N 3.45Å; H191-N194 PolarHBondContact O-N 2.89Å; H191-E195 IonicContact NE2-OE2 2.82Å; H191-E195 VanDerWaalsContact O-CB 3.31Å; H191-E195 WeakPolarHBondContact O-CB 3.33Å; H191-E195 PolarHBondContact O-N 3.16Å; H191-I282 VanDerWaalsContact NE2-CG2 3.25Å; H191-I282 WeakPolarHBondContact NE2-CG2 3.33Å
192G91.4Very high89Confident0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-63.1-41.5-17900000113.1A188 I189 T196 Y275A188-G192 PolarHBondContact O-N 2.63Å; A188-G192 VanDerWaalsContact O-N 3.09Å; I189-G192 PolarHBondContact O-N 3.09Å; I189-G192 VanDerWaalsContact O-N 3.16Å; G192-T196 WeakPolarHBondContact O-CB 3.38Å; G192-T196 PolarHBondContact O-N 2.96Å; G192-T196 VanDerWaalsContact O-N 3.16Å; G192-T196 PolarHBondContact O-OG1 2.84Å; G192-Y275 PolarHBondContact O-OH 3.45Å
193L95.3Very high89.7Confident4 Ų432 Ų322%0.02118%0.175CC..Hα-helixtrans-66-41177.9-63.3177.4000112.3A154 L180 I189 H191 E197 V198 I201 L212 I215 V219A154-L193 HydrophobicContact CB-CD2 3.55Å; L180-L193 HydrophobicContact CD1-CD2 3.73Å; L180-L193 HydrophobicContact CD1-CG 4.04Å; I189-L193 HydrophobicContact CG2-CD1 3.77Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 WeakPolarHBondContact O-CG 3.19Å; I189-L193 PolarHBondContact O-N 3.35Å; H191-L193 PolarHBondContact O-N 3.45Å; L193-E197 PolarHBondContact O-N 2.79Å; L193-E197 VanDerWaalsContact O-N 3.13Å; L193-V198 HydrophobicContact CB-CG2 4.01Å; L193-V198 HydrophobicContact CD2-CG2 3.52Å; L193-V198 HydrophobicContact CG-CG2 4.35Å; L193-V198 PolarHBondContact O-N 3.34Å; L193-I201 HydrophobicContact CD1-CD1 3.97Å; L193-I201 HydrophobicContact CD2-CD1 3.78Å; L193-L212 HydrophobicContact CD1-CD1 4.11Å; L193-I215 HydrophobicContact CD1-CD1 4.29Å; L193-V219 HydrophobicContact CB-CG1 3.84Å; L193-V219 HydrophobicContact CD1-CG1 3.96Å
194N95.4Very high90.8Very high62 Ų6230.2 Ų30.233%0.33216%0.164SC..Hα-helixtrans-72.1-43178.4-77.4-39.6000112.7A190 H191 T196 E197 D218A190-N194 VanDerWaalsContact O-CB 3.3Å; A190-N194 WeakPolarHBondContact O-CB 3.4Å; A190-N194 PolarHBondContact O-N 3.23Å; A190-N194 PolarHBondContact O-ND2 3.2Å; H191-N194 PolarHBondContact O-N 2.89Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.13Å; N194-E197 PolarHBondContact O-N 2.87Å; N194-D218 PolarHBondContact ND2-O 3.26Å; N194-D218 PolarHBondContact OD1-O 3.07Å
195E95.3Very high91.6Very high42 Ų4232.7 Ų32.720%0.19617%0.174CC..Hα-helixtrans-61.4-41.4179.9-178.6176.3-11900111.1H191 E197 Y275 Y529 K530H191-E195 IonicContact NE2-OE2 2.82Å; H191-E195 VanDerWaalsContact O-CB 3.31Å; H191-E195 WeakPolarHBondContact O-CB 3.33Å; H191-E195 PolarHBondContact O-N 3.16Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-Y275 WeakPolarHBondContact OE2-CE1 3.5Å; E195-Y275 PolarHBondContact OE2-OH 3.38Å; E195-Y529 HydrophobicContact CG-CD1 4.17Å; E195-Y529 WeakPolarHBondContact O-CE1 3.4Å; E195-K530 HydrophobicContact CG-CD 4.41Å; E195-K530 PolarHBondContact O-NZ 3.15Å
196T96Very high92.4Very high1 Ų135.8 Ų35.81%0.00618%0.182CC..THydrogen-bonded Turntrans-84.4-2178.255.40000114.7N152 V178 G192 N194 V198 I273 Y275 Y529N152-T196 PolarHBondContact ND2-O 3.35Å; V178-T196 HydrophobicContact CG1-CG2 3.95Å; V178-T196 HydrophobicContact CG2-CG2 3.73Å; G192-T196 WeakPolarHBondContact O-CB 3.38Å; G192-T196 PolarHBondContact O-N 2.96Å; G192-T196 VanDerWaalsContact O-N 3.16Å; G192-T196 PolarHBondContact O-OG1 2.84Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.13Å; T196-V198 PolarHBondContact O-N 3.49Å; T196-V198 VanDerWaalsContact O-N 3.15Å; T196-V198 WeakPolarHBondContact OG1-CG1 3.3Å; T196-I273 HydrophobicContact CG2-CD1 4.49Å; T196-I273 HydrophobicContact CG2-CG2 4.29Å; T196-Y275 HydrophobicContact CG2-CE2 3.75Å; T196-Y275 WeakPolarHBondContact CG2-OH 3.28Å; T196-Y529 HydrophobicContact CG2-CD1 4.19Å; T196-Y529 HydrophobicContact CG2-CE1 4.1Å
197E95.9Very high92.9Very high82 Ų8233.5 Ų33.538%0.38317%0.167SC..THydrogen-bonded Turntrans53.134.5175.3-58.9178.8-155.500114L193 N194 E195 R221 K530L193-E197 PolarHBondContact O-N 2.79Å; L193-E197 VanDerWaalsContact O-N 3.13Å; N194-E197 PolarHBondContact O-N 2.87Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E197-R221 IonicContact OE2-CZ 3.91Å; E197-R221 IonicContact OE2-NH1 3.52Å; E197-R221 IonicContact OE2-NH2 2.92Å; E197-K530 IonicContact OE1-NZ 2.6Å; E197-K530 PolarHBondContact OE1-NZ 3.41Å
198V96.6Very high93.4Very high3 Ų324.6 Ų24.62%0.01813%0.128CC..  trans-69.8141.3-175.6-66.10000112.2N152 A154 V178 L193 T196N152-V198 HydrophobicContact CB-CG1 3.67Å; A154-V198 HydrophobicContact CB-CB 4.43Å; A154-V198 HydrophobicContact CB-CG1 4.17Å; A154-V198 HydrophobicContact CB-CG2 4.06Å; V178-V198 HydrophobicContact CG2-CG1 3.99Å; L193-V198 HydrophobicContact CB-CG2 4.01Å; L193-V198 HydrophobicContact CD2-CG2 3.52Å; L193-V198 HydrophobicContact CG-CG2 4.35Å; L193-V198 PolarHBondContact O-N 3.34Å; T196-V198 PolarHBondContact O-N 3.49Å; T196-V198 VanDerWaalsContact O-N 3.15Å; T196-V198 WeakPolarHBondContact OG1-CG1 3.3Å
199T97.3Very high93.8Very high38 Ų3828.2 Ų28.223%0.23314%0.141CC..SBendtrans-102.5-20.1173.554.80000112.6R221 Q223 Y224T199-R221 WeakPolarHBondContact CA-O 3.48Å; T199-Q223 PolarHBondContact O-N 3.31Å; T199-Y224 PolarHBondContact O-N 2.83Å
200H98.2Very high93.7Very high2 Ų231.4 Ų31.41%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-122.3136.5-178.6-65.575.1000110.3L145 Q147 I153 A154 Y224 I226L145-H200 PolarHBondContact O-CE1 2.58Å; L145-H200 PolarHBondContact O-NE2 2.54Å; L145-H200 VanDerWaalsContact O-NE2 3.13Å; Q147-H200 PolarHBondContact OE1-CE1 3.41Å; Q147-H200 PolarHBondContact OE1-ND1 2.9Å; I153-H200 HydrophobicContact CB-CB 4.49Å; I153-H200 HydrophobicContact CD1-CB 3.74Å; I153-H200 HydrophobicContact CG1-CB 3.77Å; A154-H200 PolarHBondContact N-O 3.05Å; H200-Y224 WeakPolarHBondContact CA-O 3.28Å; H200-Y224 VanDerWaalsContact CD2-CB 3.46Å; H200-Y224 WeakPolarHBondContact CD2-CB 3.19Å; H200-Y224 AromaticContact CD2-CD2 3.67Å; H200-Y224 AromaticContact CD2-CG 3.78Å; H200-Y224 AromaticContact CE1-CD2 3.42Å; H200-Y224 VanDerWaalsContact CE1-CD2 3.42Å; H200-Y224 WeakPolarHBondContact CE1-CD2 3.46Å; H200-Y224 AromaticContact CE1-CE2 3.92Å; H200-Y224 AromaticContact ND1-CD2 3.98Å; H200-Y224 AromaticContact NE2-CD2 3.19Å; H200-Y224 WeakPolarHBondContact NE2-CD2 3.28Å; H200-Y224 AromaticContact NE2-CE2 3.82Å; H200-Y224 AromaticContact NE2-CG 3.64Å; H200-I226 HydrophobicContact CB-CD1 4.37Å
201I97.9Very high93.5Very high0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-131.7136.2170.5-167.1171.3000111A154 F156 L193 L212 L222 Y224 I225 I226A154-I201 HydrophobicContact CB-CB 4.34Å; A154-I201 HydrophobicContact CB-CD1 4.39Å; A154-I201 HydrophobicContact CB-CG1 3.91Å; A154-I201 CarbonylContact O-C 3.33Å; A154-I201 VanDerWaalsContact O-CA 3.31Å; A154-I201 WeakPolarHBondContact O-CA 3.39Å; F156-I201 HydrophobicContact CB-CD1 3.94Å; F156-I201 HydrophobicContact CB-CG1 4.36Å; L193-I201 HydrophobicContact CD1-CD1 3.97Å; L193-I201 HydrophobicContact CD2-CD1 3.78Å; I201-L212 HydrophobicContact CD1-CD1 4Å; I201-L212 HydrophobicContact CD1-CD2 3.96Å; I201-L212 HydrophobicContact CG2-CD2 3.92Å; I201-L222 HydrophobicContact CB-CD1 3.9Å; I201-L222 HydrophobicContact CG2-CD1 3.64Å; I201-L222 HydrophobicContact CG2-CD2 3.99Å; I201-L222 HydrophobicContact CG2-CG 4.4Å; I201-Y224 PolarHBondContact N-O 3.37Å; I201-I225 HydrophobicContact CG2-CB 4.21Å; I201-I225 HydrophobicContact CG2-CG1 3.81Å; I201-I225 HydrophobicContact CG2-CG2 4.16Å; I201-I225 CarbonylContact O-C 3.51Å; I201-I225 WeakPolarHBondContact O-CA 3.26Å; I201-I226 PolarHBondContact O-N 3.3Å
202I98.3Very high93.5Very high1 Ų131.7 Ų31.71%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-106.6127.4174.5-58.2160.6000107.9F138 I153 A154 V155 F156 A166 I226 V228F138-I202 HydrophobicContact CE1-CD1 3.73Å; F138-I202 HydrophobicContact CZ-CD1 3.82Å; F138-I202 HydrophobicContact CZ-CG1 4.18Å; I153-I202 HydrophobicContact CD1-CD1 3.84Å; I153-I202 HydrophobicContact CD1-CG1 4.31Å; I153-I202 HydrophobicContact CG1-CD1 4.35Å; A154-I202 PolarHBondContact O-N 2.88Å; V155-I202 WeakPolarHBondContact CA-O 3.29Å; V155-I202 HydrophobicContact CG2-CB 3.89Å; V155-I202 HydrophobicContact CG2-CD1 3.91Å; V155-I202 HydrophobicContact CG2-CG1 4.43Å; V155-I202 HydrophobicContact CG2-CG2 4.4Å; F156-I202 PolarHBondContact N-O 3.05Å; A166-I202 HydrophobicContact CB-CD1 3.82Å; A166-I202 HydrophobicContact CB-CG2 4.43Å; I202-I226 CarbonylContact C-O 3.35Å; I202-I226 VanDerWaalsContact CA-O 3.3Å; I202-I226 WeakPolarHBondContact CA-O 3.27Å; I202-I226 HydrophobicContact CG1-CB 4.05Å; I202-I226 HydrophobicContact CG1-CD1 4.29Å; I202-V228 HydrophobicContact CG2-CG1 3.74Å
203T96.8Very high93.4Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-150.6167.1-173.4-165.60000112.7F156 L207 L208 L212 I225 I226 V227 V228F156-T203 VanDerWaalsContact O-CA 3.23Å; F156-T203 WeakPolarHBondContact O-CA 3.12Å; F156-T203 VanDerWaalsContact O-CB 3.23Å; F156-T203 WeakPolarHBondContact O-CB 3.47Å; F156-T203 PolarHBondContact O-OG1 3.31Å; T203-L207 WeakPolarHBondContact OG1-CB 3.48Å; T203-L208 HydrophobicContact CG2-CB 3.96Å; T203-L212 HydrophobicContact CG2-CD2 4.05Å; T203-I225 HydrophobicContact CG2-CG2 3.88Å; T203-I226 PolarHBondContact N-O 3.26Å; T203-V227 VanDerWaalsContact O-CA 3.28Å; T203-V227 WeakPolarHBondContact O-CA 3.42Å; T203-V228 PolarHBondContact O-N 2.95Å
204S94.3Very high93.1Very high3 Ų338.2 Ų38.22%0.02120%0.203CC..  trans-86.3157.9169.866.10000111.2E158 D206 L207 L208 D229E158-S204 VanDerWaalsContact OE2-CB 3.31Å; E158-S204 WeakPolarHBondContact OE2-CB 3.28Å; E158-S204 PolarHBondContact OE2-OG 2.84Å; S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 2.99Å; S204-L207 PolarHBondContact O-N 2.8Å; S204-L207 WeakPolarHBondContact OG-CB 3.39Å; S204-L207 WeakPolarHBondContact OG-CD1 3.44Å; S204-L207 VanDerWaalsContact OG-CG 3.26Å; S204-L207 WeakPolarHBondContact OG-CG 3.49Å; S204-L207 PolarHBondContact OG-N 3.02Å; S204-L208 WeakPolarHBondContact O-CB 3.23Å; S204-L208 PolarHBondContact O-N 3.25Å; S204-D229 WeakPolarHBondContact CA-OD2 3.28Å
205K91.6Very high92.9Very high67 Ų6735.5 Ų35.529%0.29119%0.188SC..Hα-helixtrans-54.8-45.3176.3176.2-166.4175-1760111L208 Q209 V227 D229 W235K205-L208 PolarHBondContact O-N 3.33Å; K205-Q209 WeakPolarHBondContact O-CG 3.23Å; K205-Q209 PolarHBondContact O-N 2.77Å; K205-V227 HydrophobicContact CB-CG1 4.1Å; K205-D229 HydrophobicContact CB-CB 4.17Å; K205-D229 WeakPolarHBondContact CB-OD2 3.46Å; K205-D229 PolarHBondContact N-OD2 3.16Å; K205-W235 HydrophobicContact CB-CH2 4.22Å; K205-W235 HydrophobicContact CG-CH2 3.68Å; K205-W235 HydrophobicContact CG-CZ2 4.33Å
206D89.1Confident92.8Very high103 Ų10333.8 Ų33.855%0.55118%0.181SC*.Hα-helixtrans-66.4-42.3-176.6-69.6-14000111.1S204 Q209 S210S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 2.99Å; D206-Q209 PolarHBondContact O-N 2.75Å; D206-S210 WeakPolarHBondContact O-CB 3.44Å; D206-S210 PolarHBondContact O-N 2.61Å; D206-S210 PolarHBondContact O-OG 2.85Å
207L91.4Very high92.5Very high10 Ų1039 Ų395%0.05222%0.216CC..Hα-helixtrans-69.9-36.3176-71178.4000112.9F156 E158 A182 T203 S204 Q209 R211 L212F156-L207 HydrophobicContact CD1-CB 4.06Å; F156-L207 HydrophobicContact CD1-CD1 4.19Å; F156-L207 HydrophobicContact CE1-CB 3.65Å; F156-L207 HydrophobicContact CE1-CD1 4.08Å; F156-L207 HydrophobicContact CE1-CD2 4.05Å; F156-L207 HydrophobicContact CE1-CG 4.14Å; F156-L207 HydrophobicContact CZ-CB 4.38Å; F156-L207 HydrophobicContact CZ-CD1 4.29Å; F156-L207 HydrophobicContact CZ-CD2 3.91Å; F156-L207 HydrophobicContact CZ-CG 4.42Å; F156-L207 WeakPolarHBondContact O-CD1 3.4Å; E158-L207 WeakPolarHBondContact OE1-CG 3.49Å; E158-L207 WeakPolarHBondContact OE2-CD1 3.25Å; A182-L207 HydrophobicContact CB-CD1 3.77Å; A182-L207 HydrophobicContact CB-CD2 4.26Å; A182-L207 WeakPolarHBondContact O-CD2 3.31Å; T203-L207 WeakPolarHBondContact OG1-CB 3.48Å; S204-L207 PolarHBondContact O-N 2.8Å; S204-L207 WeakPolarHBondContact OG-CB 3.39Å; S204-L207 WeakPolarHBondContact OG-CD1 3.44Å; S204-L207 VanDerWaalsContact OG-CG 3.26Å; S204-L207 WeakPolarHBondContact OG-CG 3.49Å; S204-L207 PolarHBondContact OG-N 3.02Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-R211 HydrophobicContact CD2-CG 4.38Å; L207-R211 WeakPolarHBondContact O-CB 3.44Å; L207-R211 PolarHBondContact O-N 2.86Å; L207-L212 PolarHBondContact O-N 2.81Å
208L92.1Very high92.4Very high0 Ų039.7 Ų39.70%022%0.222CC..Hα-helixtrans-57.9-50.2172.2175.153.4000110.4T203 S204 K205 L212 K213 I225 V227 W235 V244T203-L208 HydrophobicContact CG2-CB 3.96Å; S204-L208 WeakPolarHBondContact O-CB 3.23Å; S204-L208 PolarHBondContact O-N 3.25Å; K205-L208 PolarHBondContact O-N 3.33Å; L208-L212 HydrophobicContact CD1-CB 4.12Å; L208-L212 HydrophobicContact CD1-CD2 3.96Å; L208-L212 HydrophobicContact CD1-CG 4.26Å; L208-L212 PolarHBondContact O-N 2.84Å; L208-K213 HydrophobicContact CD1-CG 4.19Å; L208-K213 WeakPolarHBondContact O-CB 3.45Å; L208-K213 WeakPolarHBondContact O-CG 3.45Å; L208-K213 PolarHBondContact O-N 3.28Å; L208-I225 HydrophobicContact CD1-CD1 4.01Å; L208-I225 HydrophobicContact CD1-CG2 4.29Å; L208-I225 HydrophobicContact CD2-CG2 4.1Å; L208-V227 HydrophobicContact CD2-CG2 3.59Å; L208-W235 HydrophobicContact CB-CH2 4.35Å; L208-W235 HydrophobicContact CB-CZ3 4.37Å; L208-W235 HydrophobicContact CD2-CD2 3.96Å; L208-W235 HydrophobicContact CD2-CE3 3.68Å; L208-W235 HydrophobicContact CD2-CH2 3.46Å; L208-W235 VanDerWaalsContact CD2-CH2 3.46Å; L208-W235 HydrophobicContact CD2-CZ2 3.79Å; L208-W235 HydrophobicContact CD2-CZ3 3.41Å; L208-W235 VanDerWaalsContact CD2-CZ3 3.41Å; L208-W235 HydrophobicContact CG-CE3 4.23Å; L208-W235 HydrophobicContact CG-CH2 4.07Å; L208-W235 HydrophobicContact CG-CZ3 3.75Å; L208-V244 HydrophobicContact CD2-CG1 4.41Å
209Q89.1Confident92.2Very high98 Ų9839.6 Ų39.646%0.45822%0.222SC..Hα-helixtrans-69.3-44.9-177.8-69.2-176.5-900113.2K205 D206 L207 W235K205-Q209 WeakPolarHBondContact O-CG 3.23Å; K205-Q209 PolarHBondContact O-N 2.77Å; D206-Q209 PolarHBondContact O-N 2.75Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-W235 HydrophobicContact CG-CH2 4.37Å; Q209-W235 HydrophobicContact CG-CZ3 3.75Å
210S84.7Confident92Very high67 Ų6743 Ų4347%0.46925%0.245SC..Hα-helixtrans-88.4-18.9-16965.10000114.9D206D206-S210 WeakPolarHBondContact O-CB 3.44Å; D206-S210 PolarHBondContact O-N 2.61Å; D206-S210 PolarHBondContact O-OG 2.85Å
211R86.4Confident91.9Very high83 Ų8349.4 Ų49.431%0.31327%0.269SS..THydrogen-bonded Turntrans-134.2-56.7-172.6-62.4-79.2-172.3-89.2-1.2112.2F156 I189 L207 A214F156-R211 HydrophobicContact CE1-CB 3.96Å; F156-R211 HydrophobicContact CZ-CB 3.98Å; F156-R211 HydrophobicContact CZ-CG 4.2Å; I189-R211 HydrophobicContact CD1-CB 4.21Å; L207-R211 HydrophobicContact CD2-CG 4.38Å; L207-R211 WeakPolarHBondContact O-CB 3.44Å; L207-R211 PolarHBondContact O-N 2.86Å; R211-A214 PolarHBondContact O-N 2.79Å
212L90.1Very high91.8Very high0 Ų049.8 Ų49.80%027%0.271CS..G310 helixtrans-70.5-40.2-167.5-170.859.2000112.5L193 I201 T203 L207 L208 A214 I215 L216 I225L193-L212 HydrophobicContact CD1-CD1 4.11Å; I201-L212 HydrophobicContact CD1-CD1 4Å; I201-L212 HydrophobicContact CD1-CD2 3.96Å; I201-L212 HydrophobicContact CG2-CD2 3.92Å; T203-L212 HydrophobicContact CG2-CD2 4.05Å; L207-L212 PolarHBondContact O-N 2.81Å; L208-L212 HydrophobicContact CD1-CB 4.12Å; L208-L212 HydrophobicContact CD1-CD2 3.96Å; L208-L212 HydrophobicContact CD1-CG 4.26Å; L208-L212 PolarHBondContact O-N 2.84Å; L212-A214 PolarHBondContact O-N 2.82Å; L212-A214 VanDerWaalsContact O-N 3.15Å; L212-I215 HydrophobicContact CD1-CD1 3.94Å; L212-I215 HydrophobicContact CD1-CG1 4.03Å; L212-I215 WeakPolarHBondContact O-CG1 3.35Å; L212-I215 PolarHBondContact O-N 3.19Å; L212-L216 HydrophobicContact CD1-CD2 4.38Å; L212-L216 HydrophobicContact CG-CD2 3.95Å; L212-L216 WeakPolarHBondContact O-CG 3.22Å; L212-L216 PolarHBondContact O-N 3.46Å; L212-I225 HydrophobicContact CD2-CD1 4.25Å; L212-I225 HydrophobicContact CD2-CG2 4.41Å
213K90.1Very high91.7Very high61 Ų6154 Ų5427%0.26529%0.29SS..G310 helixtrans-51.5-38.5176.9-87.9-169.6174.4-156.70113L208 I215 S236 I238L208-K213 HydrophobicContact CD1-CG 4.19Å; L208-K213 WeakPolarHBondContact O-CB 3.45Å; L208-K213 WeakPolarHBondContact O-CG 3.45Å; L208-K213 PolarHBondContact O-N 3.28Å; K213-I215 PolarHBondContact O-N 2.93Å; K213-S236 PolarHBondContact NZ-O 2.92Å; K213-I238 HydrophobicContact CG-CD1 4.45Å
214A88.4Confident91.7Very high80 Ų8055.7 Ų55.766%0.66130%0.297SS*.G310 helixtrans-68.8-17-17700000113.9R211 L212R211-A214 PolarHBondContact O-N 2.79Å; L212-A214 PolarHBondContact O-N 2.82Å; L212-A214 VanDerWaalsContact O-N 3.15Å
215I91.5Very high91.8Very high4 Ų455.6 Ų55.62%0.02130%0.296CS..G310 helixtrans-118.13.2-174.964.1161.3000113.7P186 I189 A190 L193 L212 K213 C217 D218 V219P186-I215 HydrophobicContact CB-CG2 3.49Å; P186-I215 VanDerWaalsContact CB-CG2 3.49Å; I189-I215 HydrophobicContact CB-CD1 3.76Å; I189-I215 HydrophobicContact CG2-CD1 3.42Å; I189-I215 VanDerWaalsContact CG2-CD1 3.42Å; A190-I215 HydrophobicContact CB-CB 4.43Å; A190-I215 HydrophobicContact CB-CD1 4.12Å; L193-I215 HydrophobicContact CD1-CD1 4.29Å; L212-I215 HydrophobicContact CD1-CD1 3.94Å; L212-I215 HydrophobicContact CD1-CG1 4.03Å; L212-I215 WeakPolarHBondContact O-CG1 3.35Å; L212-I215 PolarHBondContact O-N 3.19Å; K213-I215 PolarHBondContact O-N 2.93Å; I215-C217 PolarHBondContact O-N 2.79Å; I215-C217 VanDerWaalsContact O-N 3.15Å; I215-D218 WeakPolarHBondContact O-CA 3.45Å; I215-D218 WeakPolarHBondContact O-CB 3.46Å; I215-D218 PolarHBondContact O-N 2.98Å; I215-V219 PolarHBondContact O-N 2.8Å
216L92.4Very high92.1Very high7 Ų752.4 Ų52.44%0.03728%0.282CS..G310 helixtrans-58.1-32.5-175.1-66.8179.1000112.7L212 D218 V219 L222 I225 I238 P239 I242L212-L216 HydrophobicContact CD1-CD2 4.38Å; L212-L216 HydrophobicContact CG-CD2 3.95Å; L212-L216 WeakPolarHBondContact O-CG 3.22Å; L212-L216 PolarHBondContact O-N 3.46Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 2.87Å; L216-V219 PolarHBondContact O-N 3.02Å; L216-L222 HydrophobicContact CD2-CD2 3.89Å; L216-I225 HydrophobicContact CD1-CD1 4.46Å; L216-I225 HydrophobicContact CD2-CD1 3.79Å; L216-I238 HydrophobicContact CD1-CD1 3.84Å; L216-P239 HydrophobicContact CB-CG 3.82Å; L216-P239 HydrophobicContact CD1-CG 4.32Å; L216-I242 HydrophobicContact CB-CD1 4.17Å; L216-I242 HydrophobicContact CD1-CD1 4.46Å; L216-I242 HydrophobicContact CD2-CD1 4.1Å; L216-I242 HydrophobicContact CG-CD1 4.47Å
217C90.7Very high92.4Very high111 Ų11147.5 Ų47.575%0.7526%0.256SS*.G310 helixtrans-71.2-22.5175.3-62.20000113.3I215I215-C217 PolarHBondContact O-N 2.79Å; I215-C217 VanDerWaalsContact O-N 3.15Å
218D92.4Very high92.5Very high95 Ų9547.4 Ų47.451%0.50826%0.256SS..G310 helixtrans-88-6.1-179.3-58.8-35.9000112.5A190 N194 I215 L216 P220A190-D218 HydrophobicContact CB-CB 4.23Å; N194-D218 PolarHBondContact ND2-O 3.26Å; N194-D218 PolarHBondContact OD1-O 3.07Å; I215-D218 WeakPolarHBondContact O-CA 3.45Å; I215-D218 WeakPolarHBondContact O-CB 3.46Å; I215-D218 PolarHBondContact O-N 2.98Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 2.87Å; D218-P220 VanDerWaalsContact C-CD 3.5Å; D218-P220 WeakPolarHBondContact O-CD 3.49Å
219V93.9Very high92.3Very high2 Ų249.3 Ų49.31%0.01227%0.266CS..  trans-121.568.4-177.4-670000112A190 L193 I215 L216 R221 L222A190-V219 HydrophobicContact CB-CG1 4.19Å; L193-V219 HydrophobicContact CB-CG1 3.84Å; L193-V219 HydrophobicContact CD1-CG1 3.96Å; I215-V219 PolarHBondContact O-N 2.8Å; L216-V219 PolarHBondContact O-N 3.02Å; V219-R221 PolarHBondContact O-N 2.92Å; V219-L222 HydrophobicContact CB-CB 4.4Å; V219-L222 HydrophobicContact CG2-CB 4.01Å; V219-L222 HydrophobicContact CG2-CD2 3.95Å; V219-L222 WeakPolarHBondContact O-CB 3.38Å; V219-L222 PolarHBondContact O-N 3.21Å
220P92.8Very high91.7Very high110 Ų11051 Ų5171%0.71428%0.277SS*.THydrogen-bonded Turntrans-65.8-15-166.627.1-37.2000115.3D218D218-P220 VanDerWaalsContact C-CD 3.5Å; D218-P220 WeakPolarHBondContact O-CD 3.49Å
221R95.3Very high91Very high136 Ų13655.8 Ų55.851%0.51329%0.289SS..THydrogen-bonded Turntrans-85.3-15.7177.2-70.2-176.5-179.6-104.85.3113.5E197 T199 V219 Q223E197-R221 IonicContact OE2-CZ 3.91Å; E197-R221 IonicContact OE2-NH1 3.52Å; E197-R221 IonicContact OE2-NH2 2.92Å; T199-R221 WeakPolarHBondContact CA-O 3.48Å; V219-R221 PolarHBondContact O-N 2.92Å; R221-Q223 PolarHBondContact O-N 3.02Å
222L96.6Very high89.7Confident8 Ų853.7 Ų53.74%0.04229%0.286CS..  trans-68.6127-178.3-174.465.7000110I201 L216 V219 I225 I242I201-L222 HydrophobicContact CB-CD1 3.9Å; I201-L222 HydrophobicContact CG2-CD1 3.64Å; I201-L222 HydrophobicContact CG2-CD2 3.99Å; I201-L222 HydrophobicContact CG2-CG 4.4Å; L216-L222 HydrophobicContact CD2-CD2 3.89Å; V219-L222 HydrophobicContact CB-CB 4.4Å; V219-L222 HydrophobicContact CG2-CB 4.01Å; V219-L222 HydrophobicContact CG2-CD2 3.95Å; V219-L222 WeakPolarHBondContact O-CB 3.38Å; V219-L222 PolarHBondContact O-N 3.21Å; L222-I225 HydrophobicContact CD2-CD1 4.29Å; L222-I225 HydrophobicContact CD2-CG1 4.1Å; L222-I242 WeakPolarHBondContact O-CG1 3.33Å
223Q96.2Very high88.1Confident89 Ų8959.7 Ų59.742%0.41632%0.323SS..  trans-121.3-33.6-177.7-68.2175.811.900112T199 R221 I242 T243T199-Q223 PolarHBondContact O-N 3.31Å; R221-Q223 PolarHBondContact O-N 3.02Å; Q223-I242 CarbonylContact O-C 3.52Å; Q223-I242 WeakPolarHBondContact O-CA 3.36Å; Q223-T243 PolarHBondContact O-N 2.95Å
224Y96.6Very high87Confident36 Ų3661.4 Ų61.414%0.14134%0.343CS..EExtended strand (participates in β ladder)trans-128.2126.1-173.5-58.6-80.7000111.1L145 T199 H200 I201 T243 Y245L145-Y224 HydrophobicContact CD2-CE1 4.47Å; L145-Y224 WeakPolarHBondContact O-CE2 3.49Å; T199-Y224 PolarHBondContact O-N 2.83Å; H200-Y224 WeakPolarHBondContact CA-O 3.28Å; H200-Y224 VanDerWaalsContact CD2-CB 3.46Å; H200-Y224 WeakPolarHBondContact CD2-CB 3.19Å; H200-Y224 AromaticContact CD2-CD2 3.67Å; H200-Y224 AromaticContact CD2-CG 3.78Å; H200-Y224 AromaticContact CE1-CD2 3.42Å; H200-Y224 VanDerWaalsContact CE1-CD2 3.42Å; H200-Y224 WeakPolarHBondContact CE1-CD2 3.46Å; H200-Y224 AromaticContact CE1-CE2 3.92Å; H200-Y224 AromaticContact ND1-CD2 3.98Å; H200-Y224 AromaticContact NE2-CD2 3.19Å; H200-Y224 WeakPolarHBondContact NE2-CD2 3.28Å; H200-Y224 AromaticContact NE2-CE2 3.82Å; H200-Y224 AromaticContact NE2-CG 3.64Å; I201-Y224 PolarHBondContact N-O 3.37Å; Y224-T243 WeakPolarHBondContact CA-O 3.4Å; Y224-Y245 HydrophobicContact CD1-CD2 4.26Å; Y224-Y245 AromaticContact CD1-CE2 3.78Å; Y224-Y245 HydrophobicContact CD1-CE2 3.78Å; Y224-Y245 HydrophobicContact CE1-CE2 4.14Å
225I96.3Very high86.2Confident0 Ų059.4 Ų59.40%032%0.318CS..EExtended strand (participates in β ladder)trans-111.1123.6171.1-57.6176.9000107.8I201 T203 L208 L212 L216 L222 V227 I242 T243 V244 Y245I201-I225 HydrophobicContact CG2-CB 4.21Å; I201-I225 HydrophobicContact CG2-CG1 3.81Å; I201-I225 HydrophobicContact CG2-CG2 4.16Å; I201-I225 CarbonylContact O-C 3.51Å; I201-I225 WeakPolarHBondContact O-CA 3.26Å; T203-I225 HydrophobicContact CG2-CG2 3.88Å; L208-I225 HydrophobicContact CD1-CD1 4.01Å; L208-I225 HydrophobicContact CD1-CG2 4.29Å; L208-I225 HydrophobicContact CD2-CG2 4.1Å; L212-I225 HydrophobicContact CD2-CD1 4.25Å; L212-I225 HydrophobicContact CD2-CG2 4.41Å; L216-I225 HydrophobicContact CD1-CD1 4.46Å; L216-I225 HydrophobicContact CD2-CD1 3.79Å; L222-I225 HydrophobicContact CD2-CD1 4.29Å; L222-I225 HydrophobicContact CD2-CG1 4.1Å; I225-V227 HydrophobicContact CG2-CG2 4.28Å; I225-I242 HydrophobicContact CD1-CG2 3.67Å; I225-I242 HydrophobicContact CG1-CG2 3.77Å; I225-T243 PolarHBondContact N-O 2.86Å; I225-V244 HydrophobicContact CB-CG1 4.34Å; I225-V244 HydrophobicContact CB-CG2 4.25Å; I225-V244 HydrophobicContact CG2-CG1 4.37Å; I225-V244 CarbonylContact O-C 3.56Å; I225-V244 VanDerWaalsContact O-CA 3.27Å; I225-V244 WeakPolarHBondContact O-CA 3.48Å; I225-Y245 PolarHBondContact O-N 2.81Å
226I96.8Very high85Confident0 Ų063 Ų630%034%0.344CS..EExtended strand (participates in β ladder)trans-108.4113.6177.3-57.684.3000108F138 L142 H200 I201 I202 T203 Y245 M247 V250F138-I226 HydrophobicContact CE2-CG2 3.92Å; F138-I226 HydrophobicContact CZ-CG2 4.01Å; L142-I226 HydrophobicContact CD2-CD1 4Å; L142-I226 HydrophobicContact CD2-CG1 4.15Å; H200-I226 HydrophobicContact CB-CD1 4.37Å; I201-I226 PolarHBondContact O-N 3.3Å; I202-I226 CarbonylContact C-O 3.35Å; I202-I226 VanDerWaalsContact CA-O 3.3Å; I202-I226 WeakPolarHBondContact CA-O 3.27Å; I202-I226 HydrophobicContact CG1-CB 4.05Å; I202-I226 HydrophobicContact CG1-CD1 4.29Å; T203-I226 PolarHBondContact N-O 3.26Å; I226-Y245 CarbonylContact C-O 3.49Å; I226-Y245 WeakPolarHBondContact CA-O 3.21Å; I226-M247 HydrophobicContact CG2-CB 4.21Å; I226-V250 HydrophobicContact CG1-CG2 4.19Å; I226-V250 HydrophobicContact CG2-CG2 4.09Å
227V95.7Very high84.3Confident0 Ų069 Ų690%038%0.376CS..EExtended strand (participates in β ladder)trans-91127.3177.3-177.30000109.3T203 K205 L208 I225 D229 W235 V244 Y245 N246 M247T203-V227 VanDerWaalsContact O-CA 3.28Å; T203-V227 WeakPolarHBondContact O-CA 3.42Å; K205-V227 HydrophobicContact CB-CG1 4.1Å; L208-V227 HydrophobicContact CD2-CG2 3.59Å; I225-V227 HydrophobicContact CG2-CG2 4.28Å; V227-D229 VanDerWaalsContact C-N 3.26Å; V227-D229 HydrophobicContact CG1-CB 4.13Å; V227-D229 PolarHBondContact O-N 3.09Å; V227-W235 HydrophobicContact CB-CZ2 4.45Å; V227-W235 HydrophobicContact CG1-CZ2 4.2Å; V227-W235 HydrophobicContact CG2-CH2 4.46Å; V227-W235 HydrophobicContact CG2-CZ2 3.84Å; V227-V244 HydrophobicContact CG2-CG1 3.77Å; V227-Y245 PolarHBondContact N-O 2.84Å; V227-N246 CarbonylContact O-C 3.52Å; V227-N246 WeakPolarHBondContact O-CA 3.38Å; V227-M247 PolarHBondContact O-N 3.4Å
228V94.2Very high84Confident8 Ų865.6 Ų65.65%0.04835%0.35CS..  trans-73.1-18.8-178.8-64.20000113.4R160 E162 I202 T203 M247R160-V228 VanDerWaalsContact NH1-CG2 3.31Å; E162-V228 HydrophobicContact CB-CB 3.89Å; E162-V228 HydrophobicContact CB-CG1 3.85Å; E162-V228 HydrophobicContact CG-CB 4.18Å; I202-V228 HydrophobicContact CG2-CG1 3.74Å; T203-V228 PolarHBondContact O-N 2.95Å; V228-M247 HydrophobicContact CB-SD 4.48Å; V228-M247 HydrophobicContact CG1-SD 4.07Å
229D88.9Confident83.6Confident40 Ų4063.2 Ų63.221%0.21434%0.339CS..SBendtrans-82.7148.8-177.4-52.1-78.4000113.2R160 S204 K205 V227 K231R160-D229 IonicContact CZ-OD1 3.28Å; R160-D229 IonicContact NH1-OD1 3.56Å; R160-D229 PolarHBondContact NH1-OD1 3.15Å; R160-D229 IonicContact NH1-OD2 3.88Å; R160-D229 IonicContact NH2-OD1 3.7Å; S204-D229 WeakPolarHBondContact CA-OD2 3.28Å; K205-D229 HydrophobicContact CB-CB 4.17Å; K205-D229 WeakPolarHBondContact CB-OD2 3.46Å; K205-D229 PolarHBondContact N-OD2 3.16Å; V227-D229 VanDerWaalsContact C-N 3.26Å; V227-D229 HydrophobicContact CG1-CB 4.13Å; V227-D229 PolarHBondContact O-N 3.09Å; D229-K231 VanDerWaalsContact C-N 3.34Å; D229-K231 PolarHBondContact O-N 3.49Å
230I76.3Confident83Confident134 Ų13475.4 Ų75.469%0.68739%0.385SS*.SBendtrans-71.8-26.8-172.8-56.9171.9000112.2N246I230-N246 PolarHBondContact O-ND2 3.47Å
231K70Confident82.7Confident168 Ų16873.2 Ų73.273%0.7338%0.383SS*.  trans-143149-178.9-66.6-176-180178.40110.8D229D229-K231 VanDerWaalsContact C-N 3.34Å; D229-K231 PolarHBondContact O-N 3.49Å
232P58.8Low82.6Confident39 Ų3968 Ų6825%0.25336%0.364SS..  cis-96.9159.12.935.9-32.4000113.9W235P232-W235 HydrophobicContact CG-CZ2 4.45Å; P232-W235 PolarHBondContact O-NE1 2.8Å; P232-W235 VanDerWaalsContact O-NE1 3.16Å
233T56.8Low82.5Confident126 Ų12670.6 Ų70.677%0.77338%0.381SS*.  trans-84.5-14.4176.88.40000113.8
234S66.4Low82.3Confident97 Ų9767.9 Ų67.968%0.67837%0.37SS*.  trans-110.3124.1-178.464.10000111.5
235W72.5Confident82.2Confident38 Ų3869.6 Ų69.614%0.14438%0.377CS..  trans-120104.2180-64.790.8000109.5K205 L208 Q209 V227 P232 I238 V244K205-W235 HydrophobicContact CB-CH2 4.22Å; K205-W235 HydrophobicContact CG-CH2 3.68Å; K205-W235 HydrophobicContact CG-CZ2 4.33Å; L208-W235 HydrophobicContact CB-CH2 4.35Å; L208-W235 HydrophobicContact CB-CZ3 4.37Å; L208-W235 HydrophobicContact CD2-CD2 3.96Å; L208-W235 HydrophobicContact CD2-CE3 3.68Å; L208-W235 HydrophobicContact CD2-CH2 3.46Å; L208-W235 VanDerWaalsContact CD2-CH2 3.46Å; L208-W235 HydrophobicContact CD2-CZ2 3.79Å; L208-W235 HydrophobicContact CD2-CZ3 3.41Å; L208-W235 VanDerWaalsContact CD2-CZ3 3.41Å; L208-W235 HydrophobicContact CG-CE3 4.23Å; L208-W235 HydrophobicContact CG-CH2 4.07Å; L208-W235 HydrophobicContact CG-CZ3 3.75Å; Q209-W235 HydrophobicContact CG-CH2 4.37Å; Q209-W235 HydrophobicContact CG-CZ3 3.75Å; V227-W235 HydrophobicContact CB-CZ2 4.45Å; V227-W235 HydrophobicContact CG1-CZ2 4.2Å; V227-W235 HydrophobicContact CG2-CH2 4.46Å; V227-W235 HydrophobicContact CG2-CZ2 3.84Å; P232-W235 HydrophobicContact CG-CZ2 4.45Å; P232-W235 PolarHBondContact O-NE1 2.8Å; P232-W235 VanDerWaalsContact O-NE1 3.16Å; W235-I238 HydrophobicContact CB-CD1 4.45Å; W235-I238 HydrophobicContact CB-CG1 3.77Å; W235-V244 HydrophobicContact CB-CG2 4.46Å; W235-V244 HydrophobicContact CD2-CG1 4.5Å; W235-V244 HydrophobicContact CG-CB 4.36Å; W235-V244 HydrophobicContact CG-CG1 4.21Å; W235-V244 HydrophobicContact CG-CG2 4.33Å
236S65.4Low82Confident79 Ų7970.7 Ų70.755%0.55238%0.383SS*.THydrogen-bonded Turntrans-69.8152.216765.60000109.7K213K213-S236 PolarHBondContact NZ-O 2.92Å
237D77.9Confident82Confident134 Ų13470.8 Ų70.872%0.71738%0.384SS*.THydrogen-bonded Turntrans70.330.7168.9-37.8-56.6000115.4
238I84.4Confident81.9Confident39 Ų3975.1 Ų75.120%0.240%0.404CS..PPolyproline II helixtrans-92.6131.5169.1-59.2-63.8000109.3K213 L216 W235 I242 V244K213-I238 HydrophobicContact CG-CD1 4.45Å; L216-I238 HydrophobicContact CD1-CD1 3.84Å; W235-I238 HydrophobicContact CB-CD1 4.45Å; W235-I238 HydrophobicContact CB-CG1 3.77Å; I238-I242 HydrophobicContact CG2-CB 3.7Å; I238-I242 HydrophobicContact CG2-CG2 3.8Å; I238-V244 HydrophobicContact CD1-CG2 4.31Å; I238-V244 HydrophobicContact CG1-CG2 4.08Å; I238-V244 HydrophobicContact CG2-CG2 4.41Å
239P83.9Confident81.9Confident44 Ų4476 Ų7629%0.28641%0.414SS..PPolyproline II helixtrans-56.8151.2177.3-26.435.4000113.6L216 G241 I242L216-P239 HydrophobicContact CB-CG 3.82Å; L216-P239 HydrophobicContact CD1-CG 4.32Å; P239-G241 PolarHBondContact O-N 2.83Å; P239-I242 HydrophobicContact CB-CD1 4.48Å; P239-I242 HydrophobicContact CG-CD1 4.49Å; P239-I242 PolarHBondContact O-N 2.97Å
240R81.9Confident82.2Confident258 Ų25874 Ų7497%0.97440%0.404SS*.THydrogen-bonded Turntrans-59.1134.7174.3-68.6-174.5-175.3-176.82.1110
241G86.1Confident83.1Confident65 Ų6569.1 Ų69.167%0.6738%0.377SS*.THydrogen-bonded Turntrans99-8.6179.400000114.8P239P239-G241 PolarHBondContact O-N 2.83Å
242I93Very high84.2Confident25 Ų2567.2 Ų67.213%0.12837%0.371CS..  trans-103.7129.7173.9-59179.4000109.7L216 L222 Q223 I225 I238 P239L216-I242 HydrophobicContact CB-CD1 4.17Å; L216-I242 HydrophobicContact CD1-CD1 4.46Å; L216-I242 HydrophobicContact CD2-CD1 4.1Å; L216-I242 HydrophobicContact CG-CD1 4.47Å; L222-I242 WeakPolarHBondContact O-CG1 3.33Å; Q223-I242 CarbonylContact O-C 3.52Å; Q223-I242 WeakPolarHBondContact O-CA 3.36Å; I225-I242 HydrophobicContact CD1-CG2 3.67Å; I225-I242 HydrophobicContact CG1-CG2 3.77Å; I238-I242 HydrophobicContact CG2-CB 3.7Å; I238-I242 HydrophobicContact CG2-CG2 3.8Å; P239-I242 HydrophobicContact CB-CD1 4.48Å; P239-I242 HydrophobicContact CG-CD1 4.49Å; P239-I242 PolarHBondContact O-N 2.97Å
243T93.4Very high85.8Confident63 Ų6368 Ų6839%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-111.1133.7174.8-49.70000110.2Q223 Y224 I225 Y245Q223-T243 PolarHBondContact O-N 2.95Å; Y224-T243 WeakPolarHBondContact CA-O 3.4Å; I225-T243 PolarHBondContact N-O 2.86Å; T243-Y245 HydrophobicContact CG2-CD2 3.99Å; T243-Y245 HydrophobicContact CG2-CE2 3.32Å
244V93.4Very high87.5Confident32 Ų3262.4 Ų62.419%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-104.7127.7178-169.50000109.9L208 I225 V227 W235 I238L208-V244 HydrophobicContact CD2-CG1 4.41Å; I225-V244 HydrophobicContact CB-CG1 4.34Å; I225-V244 HydrophobicContact CB-CG2 4.25Å; I225-V244 HydrophobicContact CG2-CG1 4.37Å; I225-V244 CarbonylContact O-C 3.56Å; I225-V244 VanDerWaalsContact O-CA 3.27Å; I225-V244 WeakPolarHBondContact O-CA 3.48Å; V227-V244 HydrophobicContact CG2-CG1 3.77Å; W235-V244 HydrophobicContact CB-CG2 4.46Å; W235-V244 HydrophobicContact CD2-CG1 4.5Å; W235-V244 HydrophobicContact CG-CB 4.36Å; W235-V244 HydrophobicContact CG-CG1 4.21Å; W235-V244 HydrophobicContact CG-CG2 4.33Å; I238-V244 HydrophobicContact CD1-CG2 4.31Å; I238-V244 HydrophobicContact CG1-CG2 4.08Å; I238-V244 HydrophobicContact CG2-CG2 4.41Å
245Y93.5Very high88.7Confident72 Ų7261.5 Ų61.528%0.28233%0.334SS..EExtended strand (participates in β ladder)trans-118.7154.3175.2-70.7-90.7000110.4L145 Y224 I225 I226 V227 T243 V250 L253L145-Y245 HydrophobicContact CD1-CD2 3.83Å; L145-Y245 HydrophobicContact CD1-CE2 4.01Å; L145-Y245 HydrophobicContact CD1-CG 4.13Å; L145-Y245 HydrophobicContact CD2-CD2 4.38Å; L145-Y245 HydrophobicContact CD2-CE1 4.06Å; L145-Y245 HydrophobicContact CD2-CE2 3.74Å; Y224-Y245 HydrophobicContact CD1-CD2 4.26Å; Y224-Y245 AromaticContact CD1-CE2 3.78Å; Y224-Y245 HydrophobicContact CD1-CE2 3.78Å; Y224-Y245 HydrophobicContact CE1-CE2 4.14Å; I225-Y245 PolarHBondContact O-N 2.81Å; I226-Y245 CarbonylContact C-O 3.49Å; I226-Y245 WeakPolarHBondContact CA-O 3.21Å; V227-Y245 PolarHBondContact N-O 2.84Å; T243-Y245 HydrophobicContact CG2-CD2 3.99Å; T243-Y245 HydrophobicContact CG2-CE2 3.32Å; Y245-V250 HydrophobicContact CG-CG2 4.28Å; Y245-L253 HydrophobicContact CD1-CD1 4.42Å; Y245-L253 HydrophobicContact CE1-CD1 4.17Å
246N93.6Very high89.4Confident24 Ų2465.8 Ų65.813%0.12835%0.353CS..EExtended strand (participates in β ladder)trans-91.3147.4165.5-65.8-7.3000109.5V227 I230 E248 G249 V250V227-N246 CarbonylContact O-C 3.52Å; V227-N246 WeakPolarHBondContact O-CA 3.38Å; I230-N246 PolarHBondContact O-ND2 3.47Å; N246-E248 VanDerWaalsContact C-N 3.26Å; N246-E248 PolarHBondContact O-N 2.88Å; N246-G249 WeakPolarHBondContact O-CA 3.49Å; N246-G249 PolarHBondContact O-N 3.33Å; N246-V250 PolarHBondContact O-N 3.36Å
247M95.8Very high89.4Confident2 Ų268.6 Ų68.61%0.0137%0.37CS..Hα-helixtrans-56.9-37.9-179.5-176174.3-170.400112.9F138 E162 I165 I226 V227 V228 V250 K251F138-M247 HydrophobicContact CB-CE 4.46Å; F138-M247 HydrophobicContact CD1-CE 3.79Å; F138-M247 HydrophobicContact CD2-CE 4.09Å; F138-M247 HydrophobicContact CD2-CG 3.77Å; F138-M247 HydrophobicContact CE1-CE 3.98Å; F138-M247 HydrophobicContact CE2-CB 4.33Å; F138-M247 HydrophobicContact CE2-CE 4.28Å; F138-M247 HydrophobicContact CE2-CG 3.61Å; F138-M247 HydrophobicContact CG-CE 3.84Å; F138-M247 HydrophobicContact CG-CG 4.46Å; F138-M247 HydrophobicContact CZ-CE 4.23Å; F138-M247 HydrophobicContact CZ-CG 4.17Å; E162-M247 HydrophobicContact CB-CE 4.43Å; E162-M247 HydrophobicContact CB-SD 3.69Å; E162-M247 HydrophobicContact CG-SD 3.94Å; I165-M247 HydrophobicContact CB-CE 3.84Å; I165-M247 HydrophobicContact CG2-CE 3.45Å; I165-M247 VanDerWaalsContact CG2-CE 3.45Å; I226-M247 HydrophobicContact CG2-CB 4.21Å; V227-M247 PolarHBondContact O-N 3.4Å; V228-M247 HydrophobicContact CB-SD 4.48Å; V228-M247 HydrophobicContact CG1-SD 4.07Å; M247-V250 PolarHBondContact O-N 3.44Å; M247-K251 WeakPolarHBondContact O-CG 3.46Å; M247-K251 PolarHBondContact O-N 2.93Å
248E93.9Very high88.7Confident91 Ų9165.6 Ų65.643%0.42536%0.356SS..Hα-helixtrans-60.9-45.9172.5-69.1-54.7149.900112.4N246 V250 K251 E252N246-E248 VanDerWaalsContact C-N 3.26Å; N246-E248 PolarHBondContact O-N 2.88Å; E248-V250 VanDerWaalsContact C-N 3.28Å; E248-V250 PolarHBondContact O-N 3.05Å; E248-K251 VanDerWaalsContact CD-CE 3.46Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-K251 VanDerWaalsContact O-N 3.09Å; E248-K251 WeakPolarHBondContact OE1-CE 3.45Å; E248-K251 IonicContact OE1-NZ 4Å; E248-K251 PolarHBondContact OE1-NZ 3.43Å; E248-K251 WeakPolarHBondContact OE2-CE 3.47Å; E248-K251 IonicContact OE2-NZ 3.2Å; E248-K251 PolarHBondContact OE2-NZ 2.84Å; E248-E252 WeakPolarHBondContact O-CG 3.3Å; E248-E252 PolarHBondContact O-N 3.47Å
249G93.2Very high87.3Confident25 Ų2573.5 Ų73.526%0.25839%0.392SS..Hα-helixtrans-61.2-37.617700000112.3N246 E252 L253N246-G249 WeakPolarHBondContact O-CA 3.49Å; N246-G249 PolarHBondContact O-N 3.33Å; G249-E252 PolarHBondContact O-N 2.98Å; G249-L253 WeakPolarHBondContact O-CG 3.33Å; G249-L253 PolarHBondContact O-N 3.5Å
250V95.3Very high86.3Confident0 Ų074.8 Ų74.80%040%0.395CS..Hα-helixtrans-66.4-41.7174.1-177.90000111.1F138 G141 L142 L145 I226 Y245 N246 M247 E248 E252 L253 G254F138-V250 HydrophobicContact CD2-CB 3.9Å; F138-V250 HydrophobicContact CD2-CG1 3.68Å; F138-V250 HydrophobicContact CE2-CB 3.77Å; F138-V250 HydrophobicContact CE2-CG1 3.64Å; F138-V250 HydrophobicContact CE2-CG2 4.35Å; G141-V250 VanDerWaalsContact CA-O 3.3Å; G141-V250 WeakPolarHBondContact CA-O 3.26Å; L142-V250 HydrophobicContact CD2-CG1 4.27Å; L142-V250 HydrophobicContact CG-CG1 4.23Å; L145-V250 HydrophobicContact CD1-CG1 4.41Å; L145-V250 HydrophobicContact CD1-CG2 3.98Å; I226-V250 HydrophobicContact CG1-CG2 4.19Å; I226-V250 HydrophobicContact CG2-CG2 4.09Å; Y245-V250 HydrophobicContact CG-CG2 4.28Å; N246-V250 PolarHBondContact O-N 3.36Å; M247-V250 PolarHBondContact O-N 3.44Å; E248-V250 VanDerWaalsContact C-N 3.28Å; E248-V250 PolarHBondContact O-N 3.05Å; V250-E252 VanDerWaalsContact C-N 3.35Å; V250-E252 PolarHBondContact O-N 3.33Å; V250-L253 WeakPolarHBondContact O-CB 3.35Å; V250-L253 PolarHBondContact O-N 3.48Å; V250-G254 PolarHBondContact O-N 3.06Å
251K95.4Very high85.4Confident31 Ų3170 Ų7014%0.13539%0.389CS..Hα-helixtrans-61.3-41.9174.1-76.6-176.5-74.8165.70112.2A134 C137 F138 M247 E248 G254 S255A134-K251 HydrophobicContact CB-CD 4.23Å; C137-K251 HydrophobicContact CB-CB 4.34Å; C137-K251 HydrophobicContact CB-CG 4.46Å; F138-K251 HydrophobicContact CB-CD 4.36Å; F138-K251 HydrophobicContact CB-CG 3.68Å; F138-K251 HydrophobicContact CD2-CG 4.08Å; F138-K251 HydrophobicContact CG-CG 4.32Å; M247-K251 WeakPolarHBondContact O-CG 3.46Å; M247-K251 PolarHBondContact O-N 2.93Å; E248-K251 VanDerWaalsContact CD-CE 3.46Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-K251 VanDerWaalsContact O-N 3.09Å; E248-K251 WeakPolarHBondContact OE1-CE 3.45Å; E248-K251 IonicContact OE1-NZ 4Å; E248-K251 PolarHBondContact OE1-NZ 3.43Å; E248-K251 WeakPolarHBondContact OE2-CE 3.47Å; E248-K251 IonicContact OE2-NZ 3.2Å; E248-K251 PolarHBondContact OE2-NZ 2.84Å; K251-G254 CarbonylContact O-C 3.44Å; K251-G254 PolarHBondContact O-N 3.13Å; K251-S255 PolarHBondContact O-N 3.29Å
252E93.9Very high84.7Confident127 Ų12771.8 Ų71.859%0.59338%0.375SS*.Hα-helixtrans-61.8-42.1174.9-72.6175.1-172.100111.8E248 G249 V250 G254 S255E248-E252 WeakPolarHBondContact O-CG 3.3Å; E248-E252 PolarHBondContact O-N 3.47Å; G249-E252 PolarHBondContact O-N 2.98Å; V250-E252 VanDerWaalsContact C-N 3.35Å; V250-E252 PolarHBondContact O-N 3.33Å; E252-G254 VanDerWaalsContact C-N 3.31Å; E252-G254 PolarHBondContact O-N 3.44Å; E252-S255 PolarHBondContact O-N 3Å; E252-S255 PolarHBondContact O-OG 3.02Å
253L92.9Very high84.2Confident56 Ų5676.5 Ų76.529%0.29339%0.392SS..Hα-helixtrans-57.9-44.8173.3-71.6172.8000111.4L145 Y245 G249 V250 S255 K256L145-L253 HydrophobicContact CD2-CD1 4.07Å; Y245-L253 HydrophobicContact CD1-CD1 4.42Å; Y245-L253 HydrophobicContact CE1-CD1 4.17Å; G249-L253 WeakPolarHBondContact O-CG 3.33Å; G249-L253 PolarHBondContact O-N 3.5Å; V250-L253 WeakPolarHBondContact O-CB 3.35Å; V250-L253 PolarHBondContact O-N 3.48Å; L253-S255 VanDerWaalsContact C-N 3.31Å; L253-S255 PolarHBondContact O-N 3.49Å; L253-K256 PolarHBondContact O-N 3.45Å
254G92.6Very high84Confident8 Ų879.8 Ų79.88%0.08240%0.403CS..Hα-helixtrans-77.5-8179.400000115.8C137 S140 V250 K251 E252 K256C137-G254 WeakPolarHBondContact O-CA 3.37Å; S140-G254 PolarHBondContact OG-O 3.23Å; V250-G254 PolarHBondContact O-N 3.06Å; K251-G254 CarbonylContact O-C 3.44Å; K251-G254 PolarHBondContact O-N 3.13Å; E252-G254 VanDerWaalsContact C-N 3.31Å; E252-G254 PolarHBondContact O-N 3.44Å; G254-K256 VanDerWaalsContact C-N 3.28Å
255S90.4Very high84.1Confident79 Ų7978.5 Ų78.555%0.55240%0.395SS*.Hα-helixtrans-76.3-19.1172.574.40000112.7K251 E252 L253K251-S255 PolarHBondContact O-N 3.29Å; E252-S255 PolarHBondContact O-N 3Å; E252-S255 PolarHBondContact O-OG 3.02Å; L253-S255 VanDerWaalsContact C-N 3.31Å; L253-S255 PolarHBondContact O-N 3.49Å
256K87Confident84.2Confident127 Ų12779.6 Ų79.655%0.55240%0.403SS*.SBendtrans-78.6144.5179.4-61.4176.5-174.8175.30109.9L253 G254 V258L253-K256 PolarHBondContact O-N 3.45Å; G254-K256 VanDerWaalsContact C-N 3.28Å; K256-V258 PolarHBondContact O-N 2.95Å
257P66.1Low84.4Confident139 Ų13980.8 Ų80.890%0.90341%0.412SS*.  trans-67101.9177.725.9-31.6000109.8
258V63Low84.5Confident70 Ų7084.3 Ų84.342%0.42444%0.436SS..  trans-109.9126.8169.6-171.30000107.7K256 M260K256-V258 PolarHBondContact O-N 2.95Å; V258-M260 HydrophobicContact CB-CG 3.81Å; V258-M260 HydrophobicContact CB-SD 4.22Å; V258-M260 HydrophobicContact CG1-CE 4.14Å; V258-M260 HydrophobicContact CG1-CG 3.48Å; V258-M260 VanDerWaalsContact CG1-CG 3.48Å; V258-M260 HydrophobicContact CG1-SD 3.93Å; V258-M260 PolarHBondContact O-N 3.16Å; V258-M260 VanDerWaalsContact O-N 3.1Å
259Q55.2Low84.7Confident206 Ų20681 Ų8196%0.96342%0.422SS*.  trans-71.4101.2169.8-128.3175.38.100107.2
260M63.4Low84.9Confident71 Ų7181.6 Ų81.635%0.3542%0.419SS..  trans-117.7142.4180-53.7-151.892.100110.6A143 V258 R262A143-M260 HydrophobicContact CB-CE 3.63Å; A143-M260 HydrophobicContact CB-SD 3.31Å; A143-M260 WeakPolarHBondContact CB-SD 3.21Å; A143-M260 VanDerWaalsContact O-CE 3.28Å; A143-M260 WeakPolarHBondContact O-CE 3.5Å; V258-M260 HydrophobicContact CB-CG 3.81Å; V258-M260 HydrophobicContact CB-SD 4.22Å; V258-M260 HydrophobicContact CG1-CE 4.14Å; V258-M260 HydrophobicContact CG1-CG 3.48Å; V258-M260 VanDerWaalsContact CG1-CG 3.48Å; V258-M260 HydrophobicContact CG1-SD 3.93Å; V258-M260 PolarHBondContact O-N 3.16Å; V258-M260 VanDerWaalsContact O-N 3.1Å; M260-R262 VanDerWaalsContact C-N 3.31Å; M260-R262 PolarHBondContact O-N 2.98Å
261D62.9Low85.1Confident157 Ų15781.7 Ų81.784%0.8442%0.419SS*.  trans-73.287.3173.5-165.49000108.9R263D261-R263 PolarHBondContact O-N 3.31Å
262R71.1Confident85.2Confident102 Ų10280.2 Ų80.239%0.38541%0.413SS..  trans-82.1101.8179-171.8179.6-179.4-159.2-3.5108.8M172 M260M172-R262 PolarHBondContact O-NE 3.47Å; M172-R262 PolarHBondContact O-NH2 3.31Å; M260-R262 VanDerWaalsContact C-N 3.31Å; M260-R262 PolarHBondContact O-N 2.98Å
263R82.1Confident85.4Confident125 Ų12574.3 Ų74.347%0.47239%0.385SS..PPolyproline II helixtrans-82.6119168.2-168.3173.4-179.5177.14.1109.9P149 H150 D261P149-R263 HydrophobicContact CB-CB 4.21Å; P149-R263 HydrophobicContact CG-CB 4.18Å; H150-R263 WeakPolarHBondContact NE2-CD 3.22Å; H150-R263 PolarHBondContact NE2-NH1 3.02Å; D261-R263 PolarHBondContact O-N 3.31Å
264Q88.6Confident85.6Confident131 Ų13171.6 Ų71.661%0.61237%0.371SS*.PPolyproline II helixtrans-66140.6172.6-69-174.4-12.600110
265P95.4Very high85.5Confident6 Ų671.3 Ų71.34%0.03937%0.368CS..PPolyproline II helixtrans-69.6147.9176.330.7-35.7000111.4T78 D80 N174T78-P265 HydrophobicContact CG2-CB 4.47Å; T78-P265 HydrophobicContact CG2-CG 4.43Å; D80-P265 HydrophobicContact CB-CG 4.24Å; D80-P265 WeakPolarHBondContact OD1-CG 3.34Å; D80-P265 WeakPolarHBondContact OD2-CD 3.5Å; N174-P265 HydrophobicContact CB-CB 4.19Å
266E97Very high84.8Confident95 Ų9568.2 Ų68.244%0.44435%0.346SS..PPolyproline II helixtrans-101.4155.4169.6-66.8179.4-170.800110.6S268 D269E266-S268 PolarHBondContact O-N 3.25Å; E266-S268 VanDerWaalsContact O-N 3.1Å; E266-D269 PolarHBondContact N-OD2 3.29Å; E266-D269 WeakPolarHBondContact O-CB 3.28Å; E266-D269 PolarHBondContact O-N 3.25Å
267P97.2Very high83.6Confident48 Ų4864.3 Ų64.331%0.31233%0.334SS..THydrogen-bonded Turntrans-57.4-27.6178.2-26.735.7000114.2D77 T78 S289 G291D77-P267 HydrophobicContact CB-CG 3.76Å; T78-P267 HydrophobicContact CG2-CG 4.1Å; P267-S289 WeakPolarHBondContact O-CB 3.44Å; P267-S289 PolarHBondContact O-OG 2.79Å; P267-G291 PolarHBondContact O-N 3.12Å
268S97.1Very high82.9Confident76 Ų7658.6 Ų58.653%0.53130%0.301SS..THydrogen-bonded Turntrans-80.4-15.7176.843.60000114.1E266E266-S268 PolarHBondContact O-N 3.25Å; E266-S268 VanDerWaalsContact O-N 3.1Å
269D98.1Very high81.9Confident21 Ų2158.3 Ų58.311%0.11230%0.302CS..SBendtrans-66.1143.2179.4-72.9-30.5000110.9H150 N174 E266 A271 S289 H290H150-D269 IonicContact CE1-OD1 3.61Å; H150-D269 PolarHBondContact CE1-OD1 2.89Å; H150-D269 VanDerWaalsContact CE1-OD1 3.28Å; H150-D269 IonicContact CE1-OD2 3.88Å; H150-D269 IonicContact ND1-OD1 3.38Å; N174-D269 PolarHBondContact ND2-OD2 3.4Å; E266-D269 PolarHBondContact N-OD2 3.29Å; E266-D269 WeakPolarHBondContact O-CB 3.28Å; E266-D269 PolarHBondContact O-N 3.25Å; D269-A271 PolarHBondContact O-N 3.24Å; D269-S289 CarbonylContact O-C 3.55Å; D269-S289 WeakPolarHBondContact O-CA 3.48Å; D269-S289 WeakPolarHBondContact O-CB 3.48Å; D269-H290 PolarHBondContact O-CD2 2.97Å; D269-H290 PolarHBondContact O-N 3.18Å
270I98.4Very high81.5Confident39 Ų3951.4 Ų51.420%0.227%0.273CS..EExtended strand (participates in β ladder)trans-72.1113.2177-57-52.2000109P176 I273 M287 M526P176-I270 HydrophobicContact CB-CB 4.47Å; P176-I270 HydrophobicContact CB-CG2 4.3Å; P176-I270 WeakPolarHBondContact CB-O 3.42Å; P176-I270 WeakPolarHBondContact CG-O 3.41Å; I270-I273 HydrophobicContact CG2-CG1 3.85Å; I270-M287 HydrophobicContact CD1-CB 4.02Å; I270-M526 HydrophobicContact CD1-CB 4.1Å; I270-M526 HydrophobicContact CD1-CG 3.84Å
271A98.4Very high80.9Confident1 Ų149.8 Ų49.81%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-81.5-43175.200000111L79 F171 L177 D269 I288 L293L79-A271 HydrophobicContact CD1-CB 3.83Å; F171-A271 HydrophobicContact CD1-CB 4.12Å; F171-A271 HydrophobicContact CE1-CB 4.03Å; L177-A271 WeakPolarHBondContact CB-O 3.41Å; L177-A271 PolarHBondContact N-O 3.03Å; D269-A271 PolarHBondContact O-N 3.24Å; A271-I288 PolarHBondContact N-O 3.14Å; A271-L293 HydrophobicContact CB-CD1 4.38Å
272V98.6Very high81.1Confident0 Ų047.3 Ų47.30%026%0.261CS..EExtended strand (participates in β ladder)trans-138.5134.5-172.1-175.40000110.7F171 L177 T179 M274 I288 L293 L325F171-V272 HydrophobicContact CE1-CG2 3.72Å; F171-V272 HydrophobicContact CZ-CG2 3.93Å; L177-V272 CarbonylContact O-C 3.51Å; L177-V272 VanDerWaalsContact O-CA 3.25Å; L177-V272 WeakPolarHBondContact O-CA 3.26Å; L177-V272 WeakPolarHBondContact O-CG1 3.07Å; T179-V272 HydrophobicContact CG2-CG1 3.97Å; V272-M274 HydrophobicContact CG1-CB 4.01Å; V272-M274 HydrophobicContact CG1-CE 4.22Å; V272-I288 HydrophobicContact CB-CB 4.3Å; V272-I288 PolarHBondContact N-O 3.12Å; V272-I288 PolarHBondContact O-N 2.85Å; V272-L293 HydrophobicContact CG2-CD1 4.06Å; V272-L325 HydrophobicContact CG2-CD2 4.26Å
273I98.4Very high81.3Confident3 Ų343.1 Ų43.12%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-10796.6163.6-58.1169.9000106.9N152 L177 V178 T179 T196 I270 Y275 V286 Y529N152-I273 WeakPolarHBondContact OD1-CD1 3.49Å; L177-I273 PolarHBondContact O-N 3.48Å; V178-I273 WeakPolarHBondContact CA-O 3.46Å; V178-I273 HydrophobicContact CG2-CB 4.18Å; V178-I273 HydrophobicContact CG2-CD1 4.22Å; T179-I273 PolarHBondContact N-O 3.15Å; T196-I273 HydrophobicContact CG2-CD1 4.49Å; T196-I273 HydrophobicContact CG2-CG2 4.29Å; I270-I273 HydrophobicContact CG2-CG1 3.85Å; I273-Y275 HydrophobicContact CG2-CE2 4.3Å; I273-V286 CarbonylContact C-O 3.44Å; I273-V286 WeakPolarHBondContact CA-O 3.34Å; I273-Y529 HydrophobicContact CD1-CD2 3.63Å; I273-Y529 HydrophobicContact CD1-CE2 3.62Å; I273-Y529 HydrophobicContact CD1-CG 4.38Å; I273-Y529 HydrophobicContact CG1-CD2 4.33Å; I273-Y529 HydrophobicContact CG2-CD2 4.47Å; I273-Y529 HydrophobicContact CG2-CG 4.33Å
274M96.3Very high81.5Confident0 Ų038.9 Ų38.90%023%0.232CC..EExtended strand (participates in β ladder)trans-93.3112.3-172-176.9166.6-70.200111T179 V272 T276 V286 I288 A320 V322 L325 T467T179-M274 WeakPolarHBondContact OG1-CA 3.48Å; T179-M274 WeakPolarHBondContact OG1-CG 3.5Å; V272-M274 HydrophobicContact CG1-CB 4.01Å; V272-M274 HydrophobicContact CG1-CE 4.22Å; M274-T276 PolarHBondContact O-N 3.01Å; M274-V286 PolarHBondContact N-O 2.83Å; M274-V286 PolarHBondContact O-N 2.83Å; M274-I288 HydrophobicContact CB-CD1 4.02Å; M274-A320 WeakPolarHBondContact CG-O 3.48Å; M274-V322 HydrophobicContact CE-CB 4.37Å; M274-V322 HydrophobicContact SD-CB 3.63Å; M274-V322 HydrophobicContact SD-CG2 4.3Å; M274-V322 PolarHBondContact SD-N 3.45Å; M274-L325 HydrophobicContact CE-CB 4.34Å; M274-L325 HydrophobicContact CE-CD2 3.5Å; M274-L325 VanDerWaalsContact CE-CD2 3.5Å; M274-T467 HydrophobicContact CB-CG2 3.92Å; M274-T467 HydrophobicContact CG-CG2 3.83Å; M274-T467 HydrophobicContact SD-CG2 3.67Å
275Y90.3Very high81.7Confident1 Ų132.7 Ų32.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-74.4128.5175.5-84.4-92.9000111.5V178 T179 L180 Y181 G192 E195 T196 I273 P283 K284V178-Y275 HydrophobicContact CG1-CD2 3.8Å; V178-Y275 HydrophobicContact CG1-CE2 3.65Å; T179-Y275 WeakPolarHBondContact O-CB 3.45Å; T179-Y275 PolarHBondContact O-N 3.05Å; L180-Y275 HydrophobicContact CD2-CD2 3.69Å; L180-Y275 HydrophobicContact CD2-CE2 4.36Å; L180-Y275 HydrophobicContact CD2-CG 3.8Å; Y181-Y275 WeakPolarHBondContact CE2-O 3.39Å; G192-Y275 PolarHBondContact O-OH 3.45Å; E195-Y275 WeakPolarHBondContact OE2-CE1 3.5Å; E195-Y275 PolarHBondContact OE2-OH 3.38Å; T196-Y275 HydrophobicContact CG2-CE2 3.75Å; T196-Y275 WeakPolarHBondContact CG2-OH 3.28Å; I273-Y275 HydrophobicContact CG2-CE2 4.3Å; Y275-P283 HydrophobicContact CD1-CB 3.68Å; Y275-P283 HydrophobicContact CG-CB 4.5Å; Y275-K284 CarbonylContact C-O 3.56Å; Y275-K284 WeakPolarHBondContact CA-O 3.48Å
276T77Confident81.7Confident15 Ų1532.4 Ų32.49%0.09220%0.202CC..EExtended strand (participates in β ladder)trans-107.7136.8177.662.50000110.1M274 G278 P283 K284 V286 T467M274-T276 PolarHBondContact O-N 3.01Å; T276-G278 PolarHBondContact O-N 2.77Å; T276-P283 VanDerWaalsContact O-CA 3.24Å; T276-P283 WeakPolarHBondContact O-CA 3.44Å; T276-K284 PolarHBondContact N-O 2.93Å; T276-K284 PolarHBondContact O-N 3.09Å; T276-K284 WeakPolarHBondContact OG1-CE 3.06Å; T276-K284 WeakPolarHBondContact OG1-CG 3.16Å; T276-K284 PolarHBondContact OG1-O 2.76Å; T276-V286 HydrophobicContact CG2-CG2 3.98Å; T276-T467 HydrophobicContact CG2-CG2 3.69Å; T276-T467 VanDerWaalsContact CG2-OG1 3.31Å; T276-T467 WeakPolarHBondContact CG2-OG1 3.48Å
277S61.8Low81.8Confident45 Ų4529.7 Ų29.732%0.31519%0.189SC..  trans-73.780.9168.261.30000108.7T684S277-T684 WeakPolarHBondContact OG-CG2 3.36Å
278G49.9Very low81.9Confident19 Ų1927.4 Ų27.420%0.19617%0.174CC..  trans-66.8155.2176.700000112.1T276 T280 G281T276-G278 PolarHBondContact O-N 2.77Å; G278-T280 PolarHBondContact O-N 3.06Å; G278-G281 PolarHBondContact O-N 2.97Å
279S42.3Very low81.9Confident64 Ų6424 Ų2445%0.44815%0.151SC..THydrogen-bonded Turntrans-61.2-11.1176.356.70000114.3
280T47Very low81.9Confident60 Ų6023.1 Ų23.137%0.36815%0.146SC..THydrogen-bonded Turntrans-81.2-13.7-179.850.90000113.4G278 K692G278-T280 PolarHBondContact O-N 3.06Å; T280-K692 PolarHBondContact O-NZ 3.37Å; T280-K692 VanDerWaalsContact O-NZ 3.09Å
281G52.1Low81.9Confident38 Ų3822.1 Ų22.139%0.39215%0.146SC..SBendtrans91.1-20175.700000115.5G278G278-G281 PolarHBondContact O-N 2.97Å
282I65.4Low81.9Confident105 Ų10522.6 Ų22.654%0.53815%0.148SC..SBendtrans-99.6120.9170-58.7176.6000108.1H191H191-I282 VanDerWaalsContact NE2-CG2 3.25Å; H191-I282 WeakPolarHBondContact NE2-CG2 3.33Å
283P76Confident81.9Confident13 Ų1322.6 Ų22.68%0.08415%0.148CC..  trans-59.1141.6177.1-24.735000112.1L184 A188 Y275 T276L184-P283 HydrophobicContact CD2-CG 4.47Å; A188-P283 HydrophobicContact CB-CG 3.93Å; Y275-P283 HydrophobicContact CD1-CB 3.68Å; Y275-P283 HydrophobicContact CG-CB 4.5Å; T276-P283 VanDerWaalsContact O-CA 3.24Å; T276-P283 WeakPolarHBondContact O-CA 3.44Å
284K85.6Confident81.9Confident36 Ų3622.5 Ų22.516%0.15715%0.148CC..EExtended strand (participates in β ladder)trans-118.1133.8177.661.1178.7-172.2164.40110.5Y275 T276 E468 Y528Y275-K284 CarbonylContact C-O 3.56Å; Y275-K284 WeakPolarHBondContact CA-O 3.48Å; T276-K284 PolarHBondContact N-O 2.93Å; T276-K284 PolarHBondContact O-N 3.09Å; T276-K284 WeakPolarHBondContact OG1-CE 3.06Å; T276-K284 WeakPolarHBondContact OG1-CG 3.16Å; T276-K284 PolarHBondContact OG1-O 2.76Å; K284-E468 WeakPolarHBondContact CE-OE1 3.45Å; K284-E468 IonicContact NZ-OE1 3.28Å; K284-E468 PolarHBondContact NZ-OE1 3.05Å; K284-Y528 HydrophobicContact CD-CD1 3.82Å; K284-Y528 HydrophobicContact CD-CE1 3.61Å; K284-Y528 HydrophobicContact CG-CD1 4.31Å; K284-Y528 HydrophobicContact CG-CE1 4.44Å; K284-Y528 PolarHBondContact NZ-OH 3.47Å
285G93.1Very high82Confident2 Ų222.5 Ų22.52%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-83.5117176.900000111.9Y528 Y529G285-Y528 CarbonylContact O-C 3.41Å; G285-Y528 VanDerWaalsContact O-CA 3.32Å; G285-Y528 WeakPolarHBondContact O-CA 3.45Å; G285-Y529 PolarHBondContact O-N 3.05Å
286V96.7Very high82.3Confident0 Ų022.5 Ų22.50%015%0.147CC..EExtended strand (participates in β ladder)trans-88.4126173.7-179.40000109.1I273 M274 T276 I288 T467 E468 T525 Y528I273-V286 CarbonylContact C-O 3.44Å; I273-V286 WeakPolarHBondContact CA-O 3.34Å; M274-V286 PolarHBondContact N-O 2.83Å; M274-V286 PolarHBondContact O-N 2.83Å; T276-V286 HydrophobicContact CG2-CG2 3.98Å; V286-I288 HydrophobicContact CG1-CG1 4.14Å; V286-T467 HydrophobicContact CB-CG2 3.79Å; V286-T467 HydrophobicContact CG1-CG2 4.11Å; V286-T467 HydrophobicContact CG2-CG2 3.81Å; V286-E468 HydrophobicContact CG1-CG 4.43Å; V286-E468 HydrophobicContact CG2-CG 4.25Å; V286-T525 HydrophobicContact CG1-CG2 3.82Å; V286-Y528 HydrophobicContact CG2-CD1 3.98Å; V286-Y528 HydrophobicContact CG2-CE1 4Å
287M98.1Very high83.3Confident37 Ų3721.8 Ų21.818%0.18214%0.143CC..EExtended strand (participates in β ladder)trans-86.1109.2-179.7-63.2-173.8-63.300110.8I270 T525 M526 G527 Y529I270-M287 HydrophobicContact CD1-CB 4.02Å; M287-T525 WeakPolarHBondContact O-CB 3.13Å; M287-M526 HydrophobicContact CB-CB 4.06Å; M287-M526 HydrophobicContact CE-CB 4.44Å; M287-M526 WeakPolarHBondContact CE-O 3.45Å; M287-M526 PolarHBondContact O-N 2.95Å; M287-G527 WeakPolarHBondContact CB-O 3.44Å; M287-G527 PolarHBondContact N-O 3.27Å; M287-Y529 HydrophobicContact CG-CD2 3.95Å; M287-Y529 HydrophobicContact CG-CG 4.49Å; M287-Y529 HydrophobicContact SD-CD2 3.7Å; M287-Y529 HydrophobicContact SD-CG 4.46Å
288I98.6Very high84.9Confident0 Ų020 Ų200%013%0.131CC..EExtended strand (participates in β ladder)trans-110.3119.7-176.4-48.2-178.8000109A271 V272 M274 V286 N292 L293 T467 C470 T525A271-I288 PolarHBondContact N-O 3.14Å; V272-I288 HydrophobicContact CB-CB 4.3Å; V272-I288 PolarHBondContact N-O 3.12Å; V272-I288 PolarHBondContact O-N 2.85Å; M274-I288 HydrophobicContact CB-CD1 4.02Å; V286-I288 HydrophobicContact CG1-CG1 4.14Å; I288-N292 HydrophobicContact CG2-CB 4.02Å; I288-L293 HydrophobicContact CG2-CD1 3.9Å; I288-L293 HydrophobicContact CG2-CD2 4.21Å; I288-L293 HydrophobicContact CG2-CG 3.6Å; I288-T467 HydrophobicContact CD1-CG2 4.21Å; I288-C470 WeakPolarHBondContact CG2-SG 3.35Å; I288-T525 HydrophobicContact CB-CG2 4.39Å; I288-T525 HydrophobicContact CG1-CG2 3.84Å; I288-T525 HydrophobicContact CG2-CG2 4.34Å
289S98.6Very high87.1Confident5 Ų519.1 Ų19.14%0.03512%0.122CC..EExtended strand (participates in β ladder)trans-79.9163.5176.3780000112.7P267 D269 G291 N292 L293P267-S289 WeakPolarHBondContact O-CB 3.44Å; P267-S289 PolarHBondContact O-OG 2.79Å; D269-S289 CarbonylContact O-C 3.55Å; D269-S289 WeakPolarHBondContact O-CA 3.48Å; D269-S289 WeakPolarHBondContact O-CB 3.48Å; S289-G291 VanDerWaalsContact C-N 3.31Å; S289-G291 PolarHBondContact O-N 3.01Å; S289-G291 PolarHBondContact OG-N 3.38Å; S289-N292 PolarHBondContact N-OD1 3.22Å; S289-N292 PolarHBondContact O-N 3.48Å; S289-N292 PolarHBondContact OG-N 3.46Å; S289-N292 VanDerWaalsContact OG-N 3.09Å; S289-N292 PolarHBondContact OG-OD1 3.09Å; S289-L293 PolarHBondContact O-N 3.45Å
290H98.4Very high89.7Confident2 Ų216.9 Ų16.91%0.00911%0.105CC..Hα-helixtrans-54.2-48.3170.7-79.5-79.9000111.9T78 L79 D269 N292 L293 I294T78-H290 HydrophobicContact CG2-CB 3.94Å; L79-H290 PolarHBondContact N-ND1 3.27Å; D269-H290 PolarHBondContact O-CD2 2.97Å; D269-H290 PolarHBondContact O-N 3.18Å; H290-N292 VanDerWaalsContact C-N 3.3Å; H290-N292 PolarHBondContact O-N 2.98Å; H290-L293 PolarHBondContact O-N 3.25Å; H290-I294 WeakPolarHBondContact O-CG1 3.35Å; H290-I294 PolarHBondContact O-N 3.35Å
291G98.1Very high92Very high19 Ų1914.5 Ų14.520%0.1969%0.091CC..Hα-helixtrans-63-34.6179.600000112.9P267 S289 I294 A295P267-G291 PolarHBondContact O-N 3.12Å; S289-G291 VanDerWaalsContact C-N 3.31Å; S289-G291 PolarHBondContact O-N 3.01Å; S289-G291 PolarHBondContact OG-N 3.38Å; G291-I294 PolarHBondContact O-N 2.66Å; G291-A295 WeakPolarHBondContact O-CB 3.43Å; G291-A295 PolarHBondContact O-N 3.45Å
292N98.3Very high93.9Very high11 Ų1116.5 Ų16.56%0.0599%0.09CC..Hα-helixtrans-62.7-46.5176.6-61.3148.1000111.8I288 S289 H290 A295 G296 C470 P522 V524 T525I288-N292 HydrophobicContact CG2-CB 4.02Å; S289-N292 PolarHBondContact N-OD1 3.22Å; S289-N292 PolarHBondContact O-N 3.48Å; S289-N292 PolarHBondContact OG-N 3.46Å; S289-N292 VanDerWaalsContact OG-N 3.09Å; S289-N292 PolarHBondContact OG-OD1 3.09Å; H290-N292 VanDerWaalsContact C-N 3.3Å; H290-N292 PolarHBondContact O-N 2.98Å; N292-A295 PolarHBondContact O-N 3.38Å; N292-G296 PolarHBondContact O-N 3.01Å; N292-C470 WeakPolarHBondContact CB-SG 3.31Å; N292-P522 WeakPolarHBondContact CA-O 3.3Å; N292-P522 PolarHBondContact ND2-O 2.95Å; N292-V524 PolarHBondContact ND2-O 3.11Å; N292-T525 WeakPolarHBondContact OD1-CA 3.5Å
293L98.3Very high95.1Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-67.6-42.4178.4-77.9164.1000111.7L79 A271 V272 I288 S289 H290 A295 G296 I297 L329 C470L79-L293 HydrophobicContact CD1-CB 4.32Å; L79-L293 HydrophobicContact CD1-CD1 3.71Å; L79-L293 HydrophobicContact CD2-CB 4.1Å; A271-L293 HydrophobicContact CB-CD1 4.38Å; V272-L293 HydrophobicContact CG2-CD1 4.06Å; I288-L293 HydrophobicContact CG2-CD1 3.9Å; I288-L293 HydrophobicContact CG2-CD2 4.21Å; I288-L293 HydrophobicContact CG2-CG 3.6Å; S289-L293 PolarHBondContact O-N 3.45Å; H290-L293 PolarHBondContact O-N 3.25Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.74Å; L293-G296 PolarHBondContact O-N 3.25Å; L293-I297 WeakPolarHBondContact O-CB 3.42Å; L293-I297 WeakPolarHBondContact O-CD1 3.45Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 3.19Å; L293-L329 HydrophobicContact CD1-CD1 4.44Å; L293-L329 HydrophobicContact CD2-CD1 4.27Å; L293-C470 HydrophobicContact CD2-CB 4.26Å
294I98.3Very high95.9Very high1 Ų113.4 Ų13.41%0.0057%0.073CC..Hα-helixtrans-60.1-42.6177.1-67-69.5000111.4L71 L79 M82 H290 G291 I297 A298L71-I294 HydrophobicContact CD2-CG2 3.81Å; L79-I294 HydrophobicContact CD2-CD1 3.96Å; L79-I294 HydrophobicContact CD2-CG1 4.35Å; M82-I294 HydrophobicContact CB-CD1 3.86Å; M82-I294 HydrophobicContact CG-CD1 4.28Å; H290-I294 WeakPolarHBondContact O-CG1 3.35Å; H290-I294 PolarHBondContact O-N 3.35Å; G291-I294 PolarHBondContact O-N 2.66Å; I294-I297 HydrophobicContact CD1-CD1 4.39Å; I294-I297 PolarHBondContact O-N 3.21Å; I294-A298 PolarHBondContact O-N 3.24Å
295A98Very high95.9Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-63.1-44.3174.700000112.1A70 G291 N292 L293 I297 A298 G299 C492 P522 N523A70-A295 VanDerWaalsContact O-CA 3.28Å; A70-A295 WeakPolarHBondContact O-CA 3.44Å; A70-A295 PolarHBondContact O-N 2.89Å; G291-A295 WeakPolarHBondContact O-CB 3.43Å; G291-A295 PolarHBondContact O-N 3.45Å; N292-A295 PolarHBondContact O-N 3.38Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.74Å; A295-I297 PolarHBondContact O-N 3.38Å; A295-A298 PolarHBondContact O-N 3.43Å; A295-G299 PolarHBondContact O-N 3.32Å; A295-C492 HydrophobicContact CB-CB 4.37Å; A295-C492 WeakPolarHBondContact O-CB 3.45Å; A295-P522 HydrophobicContact CB-CB 3.77Å; A295-P522 HydrophobicContact CB-CG 3.83Å; A295-N523 HydrophobicContact CB-CB 4.35Å
296G97.6Very high95.8Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-58.8-46174.700000112.5N292 L293 A298 G299 M300N292-G296 PolarHBondContact O-N 3.01Å; L293-G296 PolarHBondContact O-N 3.25Å; G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.06Å; G296-G299 PolarHBondContact O-N 3.44Å; G296-M300 WeakPolarHBondContact O-CB 3.37Å; G296-M300 WeakPolarHBondContact O-CE 3.4Å; G296-M300 WeakPolarHBondContact O-CG 3.39Å; G296-M300 PolarHBondContact O-N 3.01Å
297I97.4Very high95.8Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-58.4-45.6177.2-68.6159.7000110.3V72 L79 M82 L293 I294 A295 G299 M300 A301 L329 V330V72-I297 HydrophobicContact CG2-CB 4.43Å; V72-I297 HydrophobicContact CG2-CG2 3.75Å; L79-I297 HydrophobicContact CD2-CD1 4Å; M82-I297 HydrophobicContact CE-CD1 4.12Å; L293-I297 WeakPolarHBondContact O-CB 3.42Å; L293-I297 WeakPolarHBondContact O-CD1 3.45Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 3.19Å; I294-I297 HydrophobicContact CD1-CD1 4.39Å; I294-I297 PolarHBondContact O-N 3.21Å; A295-I297 PolarHBondContact O-N 3.38Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3Å; I297-M300 PolarHBondContact O-N 3.35Å; I297-A301 VanDerWaalsContact O-CB 3.23Å; I297-A301 WeakPolarHBondContact O-CB 3.46Å; I297-A301 PolarHBondContact O-N 2.86Å; I297-L329 HydrophobicContact CD1-CB 3.67Å; I297-L329 HydrophobicContact CD1-CD1 4.3Å; I297-L329 HydrophobicContact CG1-CB 4.04Å; I297-V330 HydrophobicContact CB-CG2 4.21Å; I297-V330 HydrophobicContact CG1-CG2 4.2Å; I297-V330 HydrophobicContact CG2-CG2 3.95Å
298A96.1Very high95.6Very high8 Ų821 Ų217%0.06612%0.116CC..Hα-helixtrans-60.1-43.7176.800000112.3V69 V72 I294 A295 G296 E302V69-A298 HydrophobicContact CG1-CB 3.92Å; V72-A298 HydrophobicContact CG2-CB 3.82Å; I294-A298 PolarHBondContact O-N 3.24Å; A295-A298 PolarHBondContact O-N 3.43Å; G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.06Å; A298-E302 PolarHBondContact O-N 3.15Å
299G95.9Very high95.5Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-62.1-45.3175.700000113.5A295 G296 I297A295-G299 PolarHBondContact O-N 3.32Å; G296-G299 PolarHBondContact O-N 3.44Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3Å
300M95.8Very high95.4Very high17 Ų1728.4 Ų28.48%0.08416%0.158CC..Hα-helixtrans-74.9-40.5-175.9-71.2-179.5-92.100112.8G296 I297 E302 R303 V330 A472 I475 L490G296-M300 WeakPolarHBondContact O-CB 3.37Å; G296-M300 WeakPolarHBondContact O-CE 3.4Å; G296-M300 WeakPolarHBondContact O-CG 3.39Å; G296-M300 PolarHBondContact O-N 3.01Å; I297-M300 PolarHBondContact O-N 3.35Å; M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 3.37Å; M300-R303 PolarHBondContact O-N 3.37Å; M300-R303 VanDerWaalsContact O-N 3.14Å; M300-V330 HydrophobicContact CB-CG2 3.85Å; M300-A472 HydrophobicContact CE-CB 4.19Å; M300-I475 HydrophobicContact CB-CD1 4.33Å; M300-I475 HydrophobicContact CG-CD1 3.85Å; M300-L490 HydrophobicContact CG-CD1 3.8Å
301A94.8Very high95.4Very high10 Ų1028.5 Ų28.58%0.08316%0.158CC..Hα-helixtrans-60.7-38.9179.300000112.3I297 R303 I304 L307 V330 H334I297-A301 VanDerWaalsContact O-CB 3.23Å; I297-A301 WeakPolarHBondContact O-CB 3.46Å; I297-A301 PolarHBondContact O-N 2.86Å; A301-R303 PolarHBondContact O-N 3.06Å; A301-R303 VanDerWaalsContact O-N 3.15Å; A301-I304 PolarHBondContact O-N 2.99Å; A301-L307 HydrophobicContact CB-CD2 4.25Å; A301-V330 HydrophobicContact CB-CG1 4.18Å; A301-H334 WeakPolarHBondContact CB-CE1 3.34Å
302E92.2Very high95.4Very high81 Ų8128.3 Ų28.338%0.37915%0.153SC..Hα-helixtrans-58.3-29.1177.7-170.6-89.6144.400112.8N63 A298 M300 I304 V491N63-E302 PolarHBondContact ND2-OE1 3.31Å; N63-E302 PolarHBondContact ND2-OE2 2.9Å; A298-E302 PolarHBondContact O-N 3.15Å; M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 3.37Å; E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 3.27Å; E302-V491 HydrophobicContact CB-CG2 4.29Å; E302-V491 HydrophobicContact CG-CG1 4.38Å; E302-V491 HydrophobicContact CG-CG2 4.48Å
303R91.7Very high95.4Very high16 Ų1628 Ų286%0.0615%0.151CC..THydrogen-bonded Turntrans-80.8-10.7-179.5-63.1-68.7-172.1176.5-1.5113.8M300 A301 P305 I475 E477 P489 L490M300-R303 PolarHBondContact O-N 3.37Å; M300-R303 VanDerWaalsContact O-N 3.14Å; A301-R303 PolarHBondContact O-N 3.06Å; A301-R303 VanDerWaalsContact O-N 3.15Å; R303-P305 VanDerWaalsContact O-CD 3.29Å; R303-P305 WeakPolarHBondContact O-CD 3.2Å; R303-I475 HydrophobicContact CB-CB 4.28Å; R303-I475 HydrophobicContact CB-CG2 3.97Å; R303-I475 HydrophobicContact CG-CB 4.04Å; R303-I475 HydrophobicContact CG-CG2 4.25Å; R303-E477 VanDerWaalsContact NH1-CD 3.33Å; R303-E477 IonicContact NH1-OE1 2.72Å; R303-E477 PolarHBondContact NH1-OE1 2.94Å; R303-P489 PolarHBondContact NH2-O 2.93Å; R303-L490 HydrophobicContact CG-CD2 3.43Å; R303-L490 VanDerWaalsContact CG-CD2 3.43Å
304I92Very high95.4Very high37 Ų3728 Ų2819%0.1915%0.151CC..SBendtrans-106.894.1178.7-52.1175.5000108.3A301 E302 N306 L307 V330 L368A301-I304 PolarHBondContact O-N 2.99Å; E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 3.27Å; I304-N306 PolarHBondContact O-N 3.23Å; I304-L307 HydrophobicContact CB-CB 4.23Å; I304-L307 HydrophobicContact CG2-CB 4.03Å; I304-L307 HydrophobicContact CG2-CD1 4.15Å; I304-L307 WeakPolarHBondContact O-CB 3.06Å; I304-L307 PolarHBondContact O-N 3.43Å; I304-V330 HydrophobicContact CD1-CG1 4.31Å; I304-L368 HydrophobicContact CG2-CD2 4.13Å
305P86.6Confident95.3Very high31 Ų3128 Ų2820%0.20115%0.151CC..THydrogen-bonded Turntrans-65.4142-176.926.9-33.7000110.8R303 L307 R435 M478 W479R303-P305 VanDerWaalsContact O-CD 3.29Å; R303-P305 WeakPolarHBondContact O-CD 3.2Å; P305-L307 PolarHBondContact O-N 3.41Å; P305-R435 PolarHBondContact O-NH1 2.86Å; P305-R435 PolarHBondContact O-NH2 3.5Å; P305-M478 HydrophobicContact CG-CB 4.22Å; P305-M478 HydrophobicContact CG-CE 3.33Å; P305-M478 HydrophobicContact CG-CG 4.38Å; P305-M478 HydrophobicContact CG-SD 3.29Å; P305-M478 WeakPolarHBondContact CG-SD 3.28Å; P305-W479 HydrophobicContact CB-CZ2 4.38Å; P305-W479 HydrophobicContact CG-CZ2 4.22Å
306N91Very high95.2Very high135 Ų13528.2 Ų28.272%0.72215%0.152SC*.THydrogen-bonded Turntrans55.430.8-178.5-51.3-41.4000113.8I304 N308 R435I304-N306 PolarHBondContact O-N 3.23Å; N306-N308 PolarHBondContact O-N 2.86Å; N306-N308 PolarHBondContact O-ND2 3.09Å; N306-R435 PolarHBondContact O-NH2 3.3Å
307L95.4Very high94.9Very high18 Ų1828.7 Ų28.79%0.09415%0.154CC..  trans-60.1121.9170.6-178.965.2000110.3A301 I304 P305 V330 H334 C336 L368A301-L307 HydrophobicContact CB-CD2 4.25Å; I304-L307 HydrophobicContact CB-CB 4.23Å; I304-L307 HydrophobicContact CG2-CB 4.03Å; I304-L307 HydrophobicContact CG2-CD1 4.15Å; I304-L307 WeakPolarHBondContact O-CB 3.06Å; I304-L307 PolarHBondContact O-N 3.43Å; P305-L307 PolarHBondContact O-N 3.41Å; L307-V330 HydrophobicContact CD2-CG1 3.5Å; L307-H334 HydrophobicContact CD2-CB 3.94Å; L307-H334 VanDerWaalsContact CD2-CG 3.48Å; L307-H334 HydrophobicContact CG-CB 3.74Å; L307-C336 VanDerWaalsContact CD1-SG 3.54Å; L307-L368 HydrophobicContact CD1-CD1 3.47Å; L307-L368 VanDerWaalsContact CD1-CD1 3.47Å
308N95.6Very high94.6Very high49 Ų4930 Ų3026%0.26216%0.163SC..  trans-159.7-174.9-177.166.360.8000112.6N306 T310 D311 H334 C336N306-N308 PolarHBondContact O-N 2.86Å; N306-N308 PolarHBondContact O-ND2 3.09Å; N308-T310 PolarHBondContact O-N 3.33Å; N308-T310 VanDerWaalsContact O-N 3.09Å; N308-T310 VanDerWaalsContact OD1-CB 3.27Å; N308-T310 WeakPolarHBondContact OD1-CB 3.45Å; N308-T310 WeakPolarHBondContact OD1-CG2 3.43Å; N308-T310 PolarHBondContact OD1-N 2.9Å; N308-T310 PolarHBondContact OD1-OG1 2.85Å; N308-D311 PolarHBondContact N-OD2 2.96Å; N308-D311 WeakPolarHBondContact O-CB 3.45Å; N308-D311 PolarHBondContact O-N 2.93Å; N308-D311 VanDerWaalsContact O-N 3.07Å; N308-H334 CarbonylContact C-O 3.55Å; N308-C336 PolarHBondContact O-SG 3.48Å
309E95.9Very high94.6Very high65 Ų6529.7 Ų29.730%0.30416%0.16SC..THydrogen-bonded Turntrans-68.5-6.6-17572.8-84.5-163.300115.8F90 R93 D311 H334 G335F90-E309 HydrophobicContact CD1-CB 3.97Å; F90-E309 HydrophobicContact CD1-CG 4.26Å; F90-E309 HydrophobicContact CE1-CB 3.87Å; F90-E309 HydrophobicContact CE1-CG 4.09Å; F90-E309 HydrophobicContact CZ-CB 4.48Å; R93-E309 IonicContact NH2-OE1 3.5Å; E309-D311 VanDerWaalsContact C-N 3.33Å; E309-H334 PolarHBondContact N-O 2.88Å; E309-G335 VanDerWaalsContact CA-O 3.24Å; E309-G335 WeakPolarHBondContact CA-O 3.47Å; E309-G335 VanDerWaalsContact CB-O 3.32Å; E309-G335 WeakPolarHBondContact CB-O 3.44Å
310T96.6Very high94.4Very high97 Ų9729.8 Ų29.860%0.59516%0.161SC*.THydrogen-bonded Turntrans-85.1-10.8173.169.50000112.7N308N308-T310 PolarHBondContact O-N 3.33Å; N308-T310 VanDerWaalsContact O-N 3.09Å; N308-T310 VanDerWaalsContact OD1-CB 3.27Å; N308-T310 WeakPolarHBondContact OD1-CB 3.45Å; N308-T310 WeakPolarHBondContact OD1-CG2 3.43Å; N308-T310 PolarHBondContact OD1-N 2.9Å; N308-T310 PolarHBondContact OD1-OG1 2.85Å
311D98Very high94.2Very high3 Ų329.9 Ų29.92%0.01616%0.161CC..  trans-76.8143177.7-77.2-61.2000112.5N308 E309 C336 R337 T367 L368 R435N308-D311 PolarHBondContact N-OD2 2.96Å; N308-D311 WeakPolarHBondContact O-CB 3.45Å; N308-D311 PolarHBondContact O-N 2.93Å; N308-D311 VanDerWaalsContact O-N 3.07Å; E309-D311 VanDerWaalsContact C-N 3.33Å; D311-C336 HydrophobicContact CB-CB 4.2Å; D311-R337 PolarHBondContact O-N 3.43Å; D311-R337 VanDerWaalsContact O-N 3.11Å; D311-T367 VanDerWaalsContact CA-OG1 3.29Å; D311-T367 WeakPolarHBondContact CA-OG1 3.45Å; D311-T367 WeakPolarHBondContact CB-OG1 3.45Å; D311-T367 WeakPolarHBondContact OD1-CB 3.16Å; D311-T367 PolarHBondContact OD1-OG1 3.43Å; D311-L368 HydrophobicContact CB-CD1 3.77Å; D311-L368 HydrophobicContact CB-CG 4.14Å; D311-R435 VanDerWaalsContact CG-NH2 3.31Å; D311-R435 IonicContact OD1-CZ 2.62Å; D311-R435 IonicContact OD1-NE 3.53Å; D311-R435 PolarHBondContact OD1-NE 2.75Å; D311-R435 IonicContact OD1-NH2 2.77Å; D311-R435 PolarHBondContact OD1-NH2 2.76Å; D311-R435 IonicContact OD2-CZ 3.68Å; D311-R435 IonicContact OD2-NE 3.08Å; D311-R435 IonicContact OD2-NH2 3.57Å; D311-R435 PolarHBondContact OD2-NH2 3.02Å
312T98.4Very high94.2Very high15 Ų1529.6 Ų29.69%0.09216%0.158CC..EExtended strand (participates in β ladder)trans-119.8119.4173.1-63.20000108.8R337 L364 P366 T367 L368T312-R337 CarbonylContact C-O 3.51Å; T312-R337 WeakPolarHBondContact CA-O 3.33Å; T312-R337 HydrophobicContact CG2-CG 4.05Å; T312-R337 WeakPolarHBondContact OG1-CG 3.41Å; T312-R337 PolarHBondContact OG1-NE 2.93Å; T312-R337 VanDerWaalsContact OG1-NE 3.14Å; T312-L364 HydrophobicContact CG2-CD1 3.58Å; T312-L364 HydrophobicContact CG2-CD2 4.16Å; T312-L364 HydrophobicContact CG2-CG 3.66Å; T312-P366 CarbonylContact O-C 3.55Å; T312-P366 WeakPolarHBondContact O-CA 3.35Å; T312-T367 PolarHBondContact N-OG1 3.33Å; T312-T367 PolarHBondContact O-N 2.98Å; T312-T367 PolarHBondContact O-OG1 3.23Å; T312-L368 PolarHBondContact O-N 3.03Å; T312-L368 VanDerWaalsContact O-N 3.07Å
313Y98.6Very high94.3Very high6 Ų626.9 Ų26.92%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-98.2144.3175.2-177.3-103.8000110.6E324 A327 E328 C331 R337 I338 G339 L368 A370Y313-E324 PolarHBondContact OH-OE2 2.77Å; Y313-A327 HydrophobicContact CE1-CB 4.5Å; Y313-A327 HydrophobicContact CE2-CB 4.11Å; Y313-A327 VanDerWaalsContact OH-CB 3.28Å; Y313-A327 WeakPolarHBondContact OH-CB 3.36Å; Y313-E328 HydrophobicContact CD1-CG 4.11Å; Y313-E328 HydrophobicContact CE1-CG 3.72Å; Y313-C331 VanDerWaalsContact CB-SG 3.55Å; Y313-R337 PolarHBondContact N-O 2.79Å; Y313-I338 HydrophobicContact CD1-CG1 4.23Å; Y313-I338 HydrophobicContact CD1-CG2 4.1Å; Y313-I338 WeakPolarHBondContact O-CA 3.22Å; Y313-G339 PolarHBondContact O-N 3.45Å; Y313-L368 HydrophobicContact CD2-CB 3.9Å; Y313-A370 HydrophobicContact CE2-CB 4.27Å; Y313-A370 WeakPolarHBondContact OH-CB 3.48Å
314I97.9Very high94.5Very high0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-105.2111.1173.3-171162.1000109.7Y316 G339 L346 D360 T361 L364 P366 L368 M369I314-Y316 HydrophobicContact CG2-CD1 4.45Å; I314-G339 WeakPolarHBondContact CA-O 3.33Å; I314-L346 HydrophobicContact CD1-CD1 3.5Å; I314-L346 VanDerWaalsContact CD1-CD1 3.5Å; I314-L346 HydrophobicContact CG1-CD1 4.22Å; I314-D360 HydrophobicContact CD1-CB 4.19Å; I314-T361 HydrophobicContact CD1-CG2 3.71Å; I314-L364 HydrophobicContact CB-CD2 3.78Å; I314-L364 HydrophobicContact CD1-CD2 4.03Å; I314-L364 HydrophobicContact CG1-CD2 3.82Å; I314-P366 HydrophobicContact CB-CB 3.91Å; I314-P366 HydrophobicContact CB-CG 4.09Å; I314-P366 HydrophobicContact CD1-CG 4.41Å; I314-P366 HydrophobicContact CG2-CB 3.94Å; I314-P366 HydrophobicContact CG2-CG 3.92Å; I314-L368 PolarHBondContact N-O 2.88Å; I314-M369 HydrophobicContact CG2-CB 4.04Å; I314-M369 HydrophobicContact CG2-CG 3.76Å; I314-M369 HydrophobicContact CG2-SD 4.23Å
315G97Very high94.8Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-91.6112.4179.100000110.6E324 G339 Y340 S341G315-E324 WeakPolarHBondContact CA-OE1 3.35Å; G315-G339 PolarHBondContact N-O 3.01Å; G315-Y340 CarbonylContact O-C 3.59Å; G315-Y340 WeakPolarHBondContact O-CA 3.32Å; G315-S341 PolarHBondContact O-N 3.14Å
316Y94.4Very high95.3Very high5 Ų523.2 Ų23.22%0.0213%0.127CC..  trans-148.5-14.2-177.477.3-76.8000114I314 E324 S341 P343 L346 M369 A370 S371 I375I314-Y316 HydrophobicContact CG2-CD1 4.45Å; Y316-E324 PolarHBondContact N-OE1 2.97Å; Y316-S341 WeakPolarHBondContact CA-O 3.26Å; Y316-P343 HydrophobicContact CD2-CG 4.09Å; Y316-P343 WeakPolarHBondContact O-CD 3.31Å; Y316-L346 HydrophobicContact CD1-CD1 4.17Å; Y316-L346 HydrophobicContact CD2-CD1 4.42Å; Y316-L346 HydrophobicContact CD2-CD2 4.36Å; Y316-L346 HydrophobicContact CE2-CD2 4.14Å; Y316-L346 HydrophobicContact CG-CD1 4.1Å; Y316-M369 HydrophobicContact CD1-CE 4.49Å; Y316-M369 HydrophobicContact CE1-CE 3.53Å; Y316-M369 HydrophobicContact CE1-CG 4.23Å; Y316-M369 WeakPolarHBondContact OH-CE 3.38Å; Y316-A370 VanDerWaalsContact CE1-O 3.24Å; Y316-A370 WeakPolarHBondContact CE1-O 3.19Å; Y316-A370 PolarHBondContact OH-O 2.88Å; Y316-S371 WeakPolarHBondContact OH-CA 3.3Å; Y316-S371 PolarHBondContact OH-OG 3.34Å; Y316-I375 HydrophobicContact CE2-CG1 4.33Å
317L92.2Very high95.6Very high10 Ų1017.6 Ų17.65%0.05210%0.099CC..SBendtrans-77.8160.9170.4-54.9172.4000108.5T159 L319 L323 E324 A370 V372T159-L317 WeakPolarHBondContact CB-O 3.04Å; T159-L317 PolarHBondContact OG1-O 3.08Å; L317-L319 PolarHBondContact O-N 2.89Å; L317-L323 HydrophobicContact CD1-CD2 4.08Å; L317-E324 HydrophobicContact CB-CB 4.06Å; L317-E324 HydrophobicContact CB-CG 4.15Å; L317-E324 VanDerWaalsContact CB-OE2 3.29Å; L317-E324 WeakPolarHBondContact CB-OE2 3.28Å; L317-E324 WeakPolarHBondContact CD1-OE2 3.43Å; L317-E324 PolarHBondContact N-OE1 2.69Å; L317-E324 WeakPolarHBondContact O-CG 3.24Å; L317-A370 HydrophobicContact CD1-CB 4.31Å; L317-V372 HydrophobicContact CD1-CG1 4.37Å; L317-V372 HydrophobicContact CD2-CG1 4.17Å; L317-V372 HydrophobicContact CD2-CG2 4.48Å
318P91.3Very high95.8Very high27 Ų2716.9 Ų16.918%0.17510%0.095CC..  trans-62.6124.4-180-21.131.8000112.2T159 Y181 A320 H321 E324 D685T159-P318 VanDerWaalsContact OG1-CA 3.32Å; T159-P318 WeakPolarHBondContact OG1-CA 3.14Å; Y181-P318 HydrophobicContact CD1-CB 4.09Å; Y181-P318 HydrophobicContact CD1-CG 4.49Å; Y181-P318 HydrophobicContact CE1-CB 4.09Å; Y181-P318 HydrophobicContact CE1-CG 4.44Å; P318-A320 PolarHBondContact O-N 2.95Å; P318-H321 VanDerWaalsContact O-CB 3.29Å; P318-H321 WeakPolarHBondContact O-CB 3.42Å; P318-H321 PolarHBondContact O-N 3.25Å; P318-E324 WeakPolarHBondContact O-CB 3.32Å; P318-D685 HydrophobicContact CB-CB 4.47Å; P318-D685 HydrophobicContact CG-CB 3.57Å
319L94.9Very high95.9Very high1 Ų114.7 Ų14.71%0.0058%0.084CC..THydrogen-bonded Turntrans-64.6-18.9173.8-86.5167000113.2T159 W163 V164 L317 H321 E324 E328 Y340T159-L319 HydrophobicContact CG2-CD1 3.81Å; T159-L319 HydrophobicContact CG2-CG 3.9Å; T159-L319 PolarHBondContact OG1-N 3.28Å; W163-L319 HydrophobicContact CB-CD1 3.76Å; W163-L319 HydrophobicContact CD2-CB 3.56Å; W163-L319 HydrophobicContact CD2-CD1 3.61Å; W163-L319 HydrophobicContact CD2-CG 4.11Å; W163-L319 VanDerWaalsContact CE2-CB 3.5Å; W163-L319 HydrophobicContact CE3-CB 3.81Å; W163-L319 HydrophobicContact CE3-CD1 3.56Å; W163-L319 HydrophobicContact CE3-CD2 4.03Å; W163-L319 HydrophobicContact CE3-CG 4.02Å; W163-L319 HydrophobicContact CG-CB 4.08Å; W163-L319 HydrophobicContact CG-CD1 3.69Å; W163-L319 HydrophobicContact CH2-CB 4.03Å; W163-L319 HydrophobicContact CZ2-CB 3.77Å; W163-L319 WeakPolarHBondContact CZ2-O 3.42Å; W163-L319 HydrophobicContact CZ3-CB 4.04Å; W163-L319 HydrophobicContact CZ3-CD1 4.37Å; W163-L319 HydrophobicContact CZ3-CD2 4.02Å; W163-L319 HydrophobicContact CZ3-CG 4.39Å; V164-L319 HydrophobicContact CG2-CD1 3.88Å; V164-L319 HydrophobicContact CG2-CD2 4.34Å; L317-L319 PolarHBondContact O-N 2.89Å; L319-H321 PolarHBondContact O-N 3.49Å; L319-E324 HydrophobicContact CD2-CG 4.14Å; L319-E324 HydrophobicContact CG-CG 4.31Å; L319-E328 HydrophobicContact CD2-CG 4.38Å; L319-E328 WeakPolarHBondContact CD2-OE1 3.33Å; L319-Y340 HydrophobicContact CD1-CE1 4.31Å
320A91.7Very high96Very high3 Ų311.8 Ų11.83%0.0257%0.07CC..THydrogen-bonded Turntrans-68.1-10.216800000113.5Y181 M274 P318Y181-A320 HydrophobicContact CD1-CB 4.15Å; Y181-A320 HydrophobicContact CD2-CB 4.33Å; Y181-A320 HydrophobicContact CE1-CB 4.45Å; Y181-A320 HydrophobicContact CG-CB 4.09Å; M274-A320 WeakPolarHBondContact CG-O 3.48Å; P318-A320 PolarHBondContact O-N 2.95Å
321H92.4Very high96.1Very high19 Ų197.4 Ų7.49%0.0884%0.043CC..SBendtrans-101.5134.3176.1-171.2-72.7000110.9Y181 P318 L319 L323 E324 L325Y181-H321 HydrophobicContact CE1-CB 3.95Å; Y181-H321 WeakPolarHBondContact OH-CA 3.44Å; Y181-H321 VanDerWaalsContact OH-CB 3.28Å; Y181-H321 WeakPolarHBondContact OH-CB 3.29Å; Y181-H321 PolarHBondContact OH-CD2 2.45Å; P318-H321 VanDerWaalsContact O-CB 3.29Å; P318-H321 WeakPolarHBondContact O-CB 3.42Å; P318-H321 PolarHBondContact O-N 3.25Å; L319-H321 PolarHBondContact O-N 3.49Å; H321-L323 VanDerWaalsContact C-N 3.25Å; H321-L323 WeakPolarHBondContact ND1-CB 3.38Å; H321-L323 PolarHBondContact ND1-N 3.28Å; H321-L323 VanDerWaalsContact ND1-N 3.12Å; H321-L323 PolarHBondContact O-N 3.13Å; H321-L323 VanDerWaalsContact O-N 3.11Å; H321-E324 PolarHBondContact O-N 2.9Å; H321-E324 VanDerWaalsContact O-N 3.11Å; H321-L325 PolarHBondContact O-N 3Å
322V94.9Very high96.1Very high4 Ų47.3 Ų7.32%0.0244%0.043CC..Hα-helixtrans-55.3-36.1-17475.80000114.2M274 E324 L325 S326 T467M274-V322 HydrophobicContact CE-CB 4.37Å; M274-V322 HydrophobicContact SD-CB 3.63Å; M274-V322 HydrophobicContact SD-CG2 4.3Å; M274-V322 PolarHBondContact SD-N 3.45Å; V322-E324 PolarHBondContact O-N 3.49Å; V322-L325 PolarHBondContact O-N 3.48Å; V322-S326 VanDerWaalsContact O-CB 3.23Å; V322-S326 WeakPolarHBondContact O-CB 3.2Å; V322-S326 PolarHBondContact O-N 2.89Å; V322-S326 PolarHBondContact O-OG 3.32Å; V322-T467 HydrophobicContact CB-CG2 4.39Å
323L94.1Very high96Very high24 Ų247.1 Ų7.113%0.1264%0.043CC..Hα-helixtrans-56.8-48178.4179.260.8000112.4L317 H321 A327L317-L323 HydrophobicContact CD1-CD2 4.08Å; H321-L323 VanDerWaalsContact C-N 3.25Å; H321-L323 WeakPolarHBondContact ND1-CB 3.38Å; H321-L323 PolarHBondContact ND1-N 3.28Å; H321-L323 VanDerWaalsContact ND1-N 3.12Å; H321-L323 PolarHBondContact O-N 3.13Å; H321-L323 VanDerWaalsContact O-N 3.11Å; L323-A327 VanDerWaalsContact O-CB 3.27Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.06Å; L323-A327 VanDerWaalsContact O-N 3.1Å
324E96.1Very high95.9Very high0 Ų08.8 Ų8.80%05%0.05CC..Hα-helixtrans-72.8-46.4-178.5-164.976.9154.400110.6Y313 G315 Y316 L317 P318 L319 H321 V322 S326 A327 E328Y313-E324 PolarHBondContact OH-OE2 2.77Å; G315-E324 WeakPolarHBondContact CA-OE1 3.35Å; Y316-E324 PolarHBondContact N-OE1 2.97Å; L317-E324 HydrophobicContact CB-CB 4.06Å; L317-E324 HydrophobicContact CB-CG 4.15Å; L317-E324 VanDerWaalsContact CB-OE2 3.29Å; L317-E324 WeakPolarHBondContact CB-OE2 3.28Å; L317-E324 WeakPolarHBondContact CD1-OE2 3.43Å; L317-E324 PolarHBondContact N-OE1 2.69Å; L317-E324 WeakPolarHBondContact O-CG 3.24Å; P318-E324 WeakPolarHBondContact O-CB 3.32Å; L319-E324 HydrophobicContact CD2-CG 4.14Å; L319-E324 HydrophobicContact CG-CG 4.31Å; H321-E324 PolarHBondContact O-N 2.9Å; H321-E324 VanDerWaalsContact O-N 3.11Å; V322-E324 PolarHBondContact O-N 3.49Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 3.11Å; E324-A327 PolarHBondContact O-N 3.29Å; E324-A327 VanDerWaalsContact O-N 3.15Å; E324-E328 PolarHBondContact O-N 2.99Å
325L97.8Very high95.9Very high4 Ų48.9 Ų8.92%0.0215%0.051CC..Hα-helixtrans-54.8-50.2178.3178.961.6000111.3W163 V272 M274 H321 V322 A327 E328 L329W163-L325 HydrophobicContact CH2-CD1 3.85Å; W163-L325 HydrophobicContact CZ3-CD1 3.72Å; V272-L325 HydrophobicContact CG2-CD2 4.26Å; M274-L325 HydrophobicContact CE-CB 4.34Å; M274-L325 HydrophobicContact CE-CD2 3.5Å; M274-L325 VanDerWaalsContact CE-CD2 3.5Å; H321-L325 PolarHBondContact O-N 3Å; V322-L325 PolarHBondContact O-N 3.48Å; L325-A327 PolarHBondContact O-N 3.08Å; L325-E328 PolarHBondContact O-N 3.39Å; L325-L329 HydrophobicContact CD1-CD1 4.03Å; L325-L329 HydrophobicContact CD1-CG 4.27Å; L325-L329 HydrophobicContact CG-CD1 3.99Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 WeakPolarHBondContact O-CG 3.29Å; L325-L329 PolarHBondContact O-N 3.24Å
326S97.4Very high96Very high2 Ų28.9 Ų8.91%0.0145%0.051CC..Hα-helixtrans-64.8-39.4178.9-71.70000112.6V322 E324 L329 V330 C470V322-S326 VanDerWaalsContact O-CB 3.23Å; V322-S326 WeakPolarHBondContact O-CB 3.2Å; V322-S326 PolarHBondContact O-N 2.89Å; V322-S326 PolarHBondContact O-OG 3.32Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 3.11Å; S326-L329 PolarHBondContact O-N 2.94Å; S326-V330 VanDerWaalsContact O-CG2 3.25Å; S326-V330 WeakPolarHBondContact O-CG2 3.42Å; S326-V330 PolarHBondContact O-N 3.48Å; S326-C470 PolarHBondContact OG-O 3.25Å
327A97.6Very high96.2Very high18 Ų1811.5 Ų11.515%0.1496%0.061CC..Hα-helixtrans-65.2-43.2178.100000112.2Y313 L323 E324 L325 V330 C331 A370Y313-A327 HydrophobicContact CE1-CB 4.5Å; Y313-A327 HydrophobicContact CE2-CB 4.11Å; Y313-A327 VanDerWaalsContact OH-CB 3.28Å; Y313-A327 WeakPolarHBondContact OH-CB 3.36Å; L323-A327 VanDerWaalsContact O-CB 3.27Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.06Å; L323-A327 VanDerWaalsContact O-N 3.1Å; E324-A327 PolarHBondContact O-N 3.29Å; E324-A327 VanDerWaalsContact O-N 3.15Å; L325-A327 PolarHBondContact O-N 3.08Å; A327-V330 PolarHBondContact O-N 3.25Å; A327-C331 PolarHBondContact O-N 3.04Å; A327-C331 PolarHBondContact O-SG 3.42Å; A327-A370 HydrophobicContact CB-CB 4.46Å
328E98.4Very high96.5Very high2 Ų211 Ų111%0.0096%0.058CC..Hα-helixtrans-66.3-40.6175.8-72.3-165.5-146.200111.7V164 Y313 L319 E324 L325 V330 C331 I332 I338 Y340V164-E328 WeakPolarHBondContact CG2-OE2 3.39Å; Y313-E328 HydrophobicContact CD1-CG 4.11Å; Y313-E328 HydrophobicContact CE1-CG 3.72Å; L319-E328 HydrophobicContact CD2-CG 4.38Å; L319-E328 WeakPolarHBondContact CD2-OE1 3.33Å; E324-E328 PolarHBondContact O-N 2.99Å; L325-E328 PolarHBondContact O-N 3.39Å; E328-V330 PolarHBondContact O-N 2.98Å; E328-C331 WeakPolarHBondContact O-CB 3.43Å; E328-C331 PolarHBondContact O-N 3.12Å; E328-I332 VanDerWaalsContact O-CG1 3.3Å; E328-I332 WeakPolarHBondContact O-CG1 3.49Å; E328-I332 PolarHBondContact O-N 2.84Å; E328-I338 HydrophobicContact CB-CD1 3.86Å; E328-I338 HydrophobicContact CG-CD1 3.94Å; E328-I338 HydrophobicContact CG-CG2 4.41Å; E328-Y340 WeakPolarHBondContact OE1-CE1 3.34Å; E328-Y340 WeakPolarHBondContact OE2-CE1 3.35Å; E328-Y340 PolarHBondContact OE2-OH 2.84Å
329L98.3Very high96.8Very high4 Ų49.8 Ų9.82%0.0215%0.05CC..Hα-helixtrans-64.9-37175.6-67.8171.8000112.6L79 M82 F171 L293 I297 L325 S326 I332 S333L79-L329 HydrophobicContact CD2-CD1 4.12Å; L79-L329 HydrophobicContact CD2-CD2 4.36Å; M82-L329 HydrophobicContact CE-CB 4.3Å; M82-L329 HydrophobicContact CE-CD2 3.82Å; F171-L329 HydrophobicContact CE2-CD2 4.43Å; L293-L329 HydrophobicContact CD1-CD1 4.44Å; L293-L329 HydrophobicContact CD2-CD1 4.27Å; I297-L329 HydrophobicContact CD1-CB 3.67Å; I297-L329 HydrophobicContact CD1-CD1 4.3Å; I297-L329 HydrophobicContact CG1-CB 4.04Å; L325-L329 HydrophobicContact CD1-CD1 4.03Å; L325-L329 HydrophobicContact CD1-CG 4.27Å; L325-L329 HydrophobicContact CG-CD1 3.99Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 WeakPolarHBondContact O-CG 3.29Å; L325-L329 PolarHBondContact O-N 3.24Å; S326-L329 PolarHBondContact O-N 2.94Å; L329-I332 PolarHBondContact O-N 3.05Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 3.35Å; L329-S333 PolarHBondContact O-OG 2.86Å
330V97.9Very high97Very high4 Ų410.3 Ų10.32%0.0245%0.052CC..Hα-helixtrans-60.1-46.4170.8167.80000110.7I297 M300 A301 I304 L307 S326 A327 E328 S333 H334I297-V330 HydrophobicContact CB-CG2 4.21Å; I297-V330 HydrophobicContact CG1-CG2 4.2Å; I297-V330 HydrophobicContact CG2-CG2 3.95Å; M300-V330 HydrophobicContact CB-CG2 3.85Å; A301-V330 HydrophobicContact CB-CG1 4.18Å; I304-V330 HydrophobicContact CD1-CG1 4.31Å; L307-V330 HydrophobicContact CD2-CG1 3.5Å; S326-V330 VanDerWaalsContact O-CG2 3.25Å; S326-V330 WeakPolarHBondContact O-CG2 3.42Å; S326-V330 PolarHBondContact O-N 3.48Å; A327-V330 PolarHBondContact O-N 3.25Å; E328-V330 PolarHBondContact O-N 2.98Å; V330-S333 PolarHBondContact O-N 2.9Å; V330-S333 PolarHBondContact O-OG 2.96Å; V330-H334 PolarHBondContact O-N 2.78Å; V330-H334 PolarHBondContact O-ND1 3.18Å
331C98.3Very high97.1Very high4 Ų410.7 Ų10.73%0.0276%0.055CC..Hα-helixtrans-61.7-48.4177.5-68.50000112Y313 A327 E328 S333 H334 G335 C336 I338Y313-C331 VanDerWaalsContact CB-SG 3.55Å; A327-C331 PolarHBondContact O-N 3.04Å; A327-C331 PolarHBondContact O-SG 3.42Å; E328-C331 WeakPolarHBondContact O-CB 3.43Å; E328-C331 PolarHBondContact O-N 3.12Å; C331-S333 VanDerWaalsContact C-N 3.32Å; C331-S333 PolarHBondContact O-N 3.5Å; C331-H334 PolarHBondContact O-N 3.4Å; C331-H334 VanDerWaalsContact O-N 3.12Å; C331-G335 PolarHBondContact O-N 2.9Å; C331-C336 HydrophobicContact CB-CB 3.81Å; C331-C336 WeakPolarHBondContact O-CB 3.4Å; C331-C336 PolarHBondContact O-N 3.48Å; C331-I338 HydrophobicContact CB-CD1 4.15Å; C331-I338 HydrophobicContact CB-CG1 4.14Å
332I98.2Very high97.1Very high1 Ų111.4 Ų11.41%0.0056%0.062CC..Hα-helixtrans-58.5-45.1179.5-70.8167.1000110.6M82 F83 A86 Y128 V164 E328 L329 H334 G335 I338M82-I332 HydrophobicContact SD-CG2 4.15Å; F83-I332 HydrophobicContact CD2-CG2 3.64Å; F83-I332 HydrophobicContact CE2-CG2 4.13Å; A86-I332 WeakPolarHBondContact CB-O 3.35Å; Y128-I332 HydrophobicContact CE1-CG2 4.21Å; Y128-I332 WeakPolarHBondContact OH-CA 3.35Å; Y128-I332 PolarHBondContact OH-O 3.45Å; Y128-I332 VanDerWaalsContact OH-O 3.06Å; V164-I332 HydrophobicContact CG1-CD1 3.76Å; E328-I332 VanDerWaalsContact O-CG1 3.3Å; E328-I332 WeakPolarHBondContact O-CG1 3.49Å; E328-I332 PolarHBondContact O-N 2.84Å; L329-I332 PolarHBondContact O-N 3.05Å; I332-H334 PolarHBondContact O-N 2.62Å; I332-H334 VanDerWaalsContact O-N 3.12Å; I332-G335 PolarHBondContact O-N 3.05Å; I332-I338 HydrophobicContact CD1-CD1 4.17Å; I332-I338 HydrophobicContact CG1-CD1 3.81Å
333S96.8Very high96.7Very high12 Ų1212.9 Ų12.98%0.0847%0.072CC..Hα-helixtrans-62.8-18.1-179.267.70000114.7M82 L329 V330 C331M82-S333 VanDerWaalsContact SD-CB 3.57Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 3.35Å; L329-S333 PolarHBondContact O-OG 2.86Å; V330-S333 PolarHBondContact O-N 2.9Å; V330-S333 PolarHBondContact O-OG 2.96Å; C331-S333 VanDerWaalsContact C-N 3.32Å; C331-S333 PolarHBondContact O-N 3.5Å
334H96.9Very high96.3Very high41 Ų4115.5 Ų15.519%0.198%0.083CC..THydrogen-bonded Turntrans-113.49.2-177.4-69.173.8000114.1A301 L307 N308 E309 V330 C331 I332 C336A301-H334 WeakPolarHBondContact CB-CE1 3.34Å; L307-H334 HydrophobicContact CD2-CB 3.94Å; L307-H334 VanDerWaalsContact CD2-CG 3.48Å; L307-H334 HydrophobicContact CG-CB 3.74Å; N308-H334 CarbonylContact C-O 3.55Å; E309-H334 PolarHBondContact N-O 2.88Å; V330-H334 PolarHBondContact O-N 2.78Å; V330-H334 PolarHBondContact O-ND1 3.18Å; C331-H334 PolarHBondContact O-N 3.4Å; C331-H334 VanDerWaalsContact O-N 3.12Å; I332-H334 PolarHBondContact O-N 2.62Å; I332-H334 VanDerWaalsContact O-N 3.12Å; H334-C336 VanDerWaalsContact C-N 3.33Å
335G97.6Very high96.1Very high1 Ų116 Ų161%0.019%0.087CC..THydrogen-bonded Turntrans81.78177.500000114.7F90 Y128 E309 C331 I332F90-G335 VanDerWaalsContact CE2-CA 3.47Å; Y128-G335 WeakPolarHBondContact OH-CA 3.25Å; Y128-G335 PolarHBondContact OH-N 3.29Å; E309-G335 VanDerWaalsContact CA-O 3.24Å; E309-G335 WeakPolarHBondContact CA-O 3.47Å; E309-G335 VanDerWaalsContact CB-O 3.32Å; E309-G335 WeakPolarHBondContact CB-O 3.44Å; C331-G335 PolarHBondContact O-N 2.9Å; I332-G335 PolarHBondContact O-N 3.05Å
336C98.4Very high95.8Very high0 Ų016.4 Ų16.40%09%0.089CC..  trans-70.9149.3-178.7-48.80000111.2Y128 L307 N308 D311 C331 H334Y128-C336 PolarHBondContact OH-N 2.86Å; Y128-C336 PolarHBondContact OH-O 2.83Å; L307-C336 VanDerWaalsContact CD1-SG 3.54Å; N308-C336 PolarHBondContact O-SG 3.48Å; D311-C336 HydrophobicContact CB-CB 4.2Å; C331-C336 HydrophobicContact CB-CB 3.81Å; C331-C336 WeakPolarHBondContact O-CB 3.4Å; C331-C336 PolarHBondContact O-N 3.48Å; H334-C336 VanDerWaalsContact C-N 3.33Å
337R98.4Very high95.4Very high61 Ų6117.7 Ų17.723%0.2310%0.099CC..EExtended strand (participates in β ladder)trans-92.2141.4173.873.1-179.1-145.5155.310111.7D94 W125 D311 T312 Y313D94-R337 HydrophobicContact CB-CB 3.82Å; D94-R337 WeakPolarHBondContact O-CB 3.36Å; D94-R337 IonicContact OD2-CZ 2.83Å; D94-R337 IonicContact OD2-NH1 3.71Å; D94-R337 PolarHBondContact OD2-NH1 3.29Å; W125-R337 HydrophobicContact CE3-CB 4.34Å; W125-R337 HydrophobicContact CH2-CB 4.26Å; W125-R337 HydrophobicContact CH2-CG 3.99Å; W125-R337 HydrophobicContact CZ3-CB 3.72Å; W125-R337 HydrophobicContact CZ3-CG 3.98Å; D311-R337 PolarHBondContact O-N 3.43Å; D311-R337 VanDerWaalsContact O-N 3.11Å; T312-R337 CarbonylContact C-O 3.51Å; T312-R337 WeakPolarHBondContact CA-O 3.33Å; T312-R337 HydrophobicContact CG2-CG 4.05Å; T312-R337 WeakPolarHBondContact OG1-CG 3.41Å; T312-R337 PolarHBondContact OG1-NE 2.93Å; T312-R337 VanDerWaalsContact OG1-NE 3.14Å; Y313-R337 PolarHBondContact N-O 2.79Å
338I98.8Very high95Very high0 Ų020.2 Ų20.20%011%0.11CC..EExtended strand (participates in β ladder)trans-114.6116.9-177.9-61.1165.4000109.2C95 L96 G97 W125 Y313 E328 C331 I332 Y340C95-I338 PolarHBondContact O-N 3.07Å; L96-I338 HydrophobicContact CD2-CB 4.45Å; L96-I338 HydrophobicContact CD2-CD1 4.4Å; G97-I338 PolarHBondContact N-O 3.25Å; W125-I338 WeakPolarHBondContact CZ3-O 3.32Å; Y313-I338 HydrophobicContact CD1-CG1 4.23Å; Y313-I338 HydrophobicContact CD1-CG2 4.1Å; Y313-I338 WeakPolarHBondContact O-CA 3.22Å; E328-I338 HydrophobicContact CB-CD1 3.86Å; E328-I338 HydrophobicContact CG-CD1 3.94Å; E328-I338 HydrophobicContact CG-CG2 4.41Å; C331-I338 HydrophobicContact CB-CD1 4.15Å; C331-I338 HydrophobicContact CB-CG1 4.14Å; I332-I338 HydrophobicContact CD1-CD1 4.17Å; I332-I338 HydrophobicContact CG1-CD1 3.81Å; I338-Y340 HydrophobicContact CG2-CD1 4.44Å; I338-Y340 HydrophobicContact CG2-CE1 3.96Å; I338-Y340 HydrophobicContact CG2-CE2 4.17Å
339G98.4Very high94.3Very high0 Ų026.1 Ų26.10%014%0.138CC..EExtended strand (participates in β ladder)trans-98.8120.9171.800000110.9Y313 I314 G315Y313-G339 PolarHBondContact O-N 3.45Å; I314-G339 WeakPolarHBondContact CA-O 3.33Å; G315-G339 PolarHBondContact N-O 3.01Å
340Y97.9Very high93.7Very high12 Ų1226.9 Ų26.95%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-77.2144.5-179.7-67.9-71.6000112.5L96 G97 Y123 T159 A161 V164 G315 L319 E328 I338L96-Y340 HydrophobicContact CB-CE2 4.23Å; L96-Y340 HydrophobicContact CD2-CE2 4.12Å; G97-Y340 WeakPolarHBondContact O-CD2 3.47Å; G97-Y340 PolarHBondContact O-N 3.26Å; Y123-Y340 WeakPolarHBondContact CE1-O 3.33Å; Y123-Y340 PolarHBondContact OH-O 2.75Å; T159-Y340 HydrophobicContact CG2-CD1 3.71Å; T159-Y340 HydrophobicContact CG2-CE1 3.94Å; A161-Y340 HydrophobicContact CB-CD2 3.83Å; A161-Y340 HydrophobicContact CB-CE2 3.61Å; A161-Y340 VanDerWaalsContact N-CD2 3.32Å; A161-Y340 VanDerWaalsContact N-CE2 3.28Å; V164-Y340 WeakPolarHBondContact CG2-OH 3.39Å; G315-Y340 CarbonylContact O-C 3.59Å; G315-Y340 WeakPolarHBondContact O-CA 3.32Å; L319-Y340 HydrophobicContact CD1-CE1 4.31Å; E328-Y340 WeakPolarHBondContact OE1-CE1 3.34Å; E328-Y340 WeakPolarHBondContact OE2-CE1 3.35Å; E328-Y340 PolarHBondContact OE2-OH 2.84Å; I338-Y340 HydrophobicContact CG2-CD1 4.44Å; I338-Y340 HydrophobicContact CG2-CE1 3.96Å; I338-Y340 HydrophobicContact CG2-CE2 4.17Å
341S95.6Very high93Very high12 Ų1229.6 Ų29.68%0.08416%0.163CC..  trans-152.2179.3-174.1177.50000108.8G315 Y316 D360G315-S341 PolarHBondContact O-N 3.14Å; Y316-S341 WeakPolarHBondContact CA-O 3.26Å; S341-D360 WeakPolarHBondContact CA-OD2 3.41Å; S341-D360 WeakPolarHBondContact CB-OD2 3.29Å; S341-D360 VanDerWaalsContact OG-CB 3.29Å; S341-D360 WeakPolarHBondContact OG-CB 3.48Å; S341-D360 VanDerWaalsContact OG-CG 3.28Å; S341-D360 PolarHBondContact OG-OD2 3.12Å
342S90.9Very high92.5Very high33 Ų3332.9 Ų32.923%0.23118%0.176CC..  trans-138.8159.4171.6740000109.6Q344 T345 L346S342-Q344 PolarHBondContact O-N 3.03Å; S342-Q344 PolarHBondContact OG-N 3.28Å; S342-T345 PolarHBondContact N-OG1 3.46Å; S342-T345 PolarHBondContact O-N 2.88Å; S342-T345 PolarHBondContact O-OG1 2.78Å; S342-T345 WeakPolarHBondContact OG-CG2 3.44Å; S342-T345 PolarHBondContact OG-N 3.22Å; S342-T345 VanDerWaalsContact OG-N 3.14Å; S342-T345 PolarHBondContact OG-OG1 3.04Å; S342-L346 WeakPolarHBondContact O-CB 3.49Å; S342-L346 PolarHBondContact O-N 3.03Å
343P86Confident92.1Very high36 Ų3633 Ų3323%0.23418%0.177CC..THydrogen-bonded Turntrans-54.3-26.6173.6-24.634.2000113Y316Y316-P343 HydrophobicContact CD2-CG 4.09Å; Y316-P343 WeakPolarHBondContact O-CD 3.31Å
344Q87Confident91.7Very high78 Ų7835.8 Ų35.836%0.36419%0.188SC..THydrogen-bonded Turntrans-89.2-8.9-178.5-52.9-179.54.700113.9S342 S350 K352S342-Q344 PolarHBondContact O-N 3.03Å; S342-Q344 PolarHBondContact OG-N 3.28Å; Q344-S350 CarbonylContact O-C 3.55Å; Q344-S350 WeakPolarHBondContact O-CB 3.32Å; Q344-K352 HydrophobicContact CB-CB 3.86Å; Q344-K352 VanDerWaalsContact O-CB 3.23Å; Q344-K352 WeakPolarHBondContact O-CB 3.49Å; Q344-K352 PolarHBondContact O-N 2.9Å
345T91.6Very high91.2Very high12 Ų1243.4 Ų43.47%0.07422%0.22CC..THydrogen-bonded Turntrans-122-7.7178.357.90000113.9V118 L120 S342 A347 K352 I353 G359 D360V118-T345 HydrophobicContact CG2-CG2 4.23Å; L120-T345 HydrophobicContact CD1-CG2 4.05Å; S342-T345 PolarHBondContact N-OG1 3.46Å; S342-T345 PolarHBondContact O-N 2.88Å; S342-T345 PolarHBondContact O-OG1 2.78Å; S342-T345 WeakPolarHBondContact OG-CG2 3.44Å; S342-T345 PolarHBondContact OG-N 3.22Å; S342-T345 VanDerWaalsContact OG-N 3.14Å; S342-T345 PolarHBondContact OG-OG1 3.04Å; T345-A347 PolarHBondContact O-N 3.28Å; T345-K352 HydrophobicContact CG2-CB 4.01Å; T345-K352 HydrophobicContact CG2-CD 4.11Å; T345-K352 HydrophobicContact CG2-CG 4.47Å; T345-I353 HydrophobicContact CG2-CD1 4.02Å; T345-G359 WeakPolarHBondContact O-CA 3.44Å; T345-D360 VanDerWaalsContact C-OD2 3.24Å; T345-D360 WeakPolarHBondContact CB-OD2 3.31Å; T345-D360 PolarHBondContact O-N 2.87Å; T345-D360 PolarHBondContact OG1-OD2 3.15Å
346L90.8Very high90.7Very high12 Ų1247.4 Ų47.46%0.06326%0.262CS..SBendtrans-50-50.4-173.3-172.167.5000114.1I314 Y316 S342 D360 T361 M369 I375I314-L346 HydrophobicContact CD1-CD1 3.5Å; I314-L346 VanDerWaalsContact CD1-CD1 3.5Å; I314-L346 HydrophobicContact CG1-CD1 4.22Å; Y316-L346 HydrophobicContact CD1-CD1 4.17Å; Y316-L346 HydrophobicContact CD2-CD1 4.42Å; Y316-L346 HydrophobicContact CD2-CD2 4.36Å; Y316-L346 HydrophobicContact CE2-CD2 4.14Å; Y316-L346 HydrophobicContact CG-CD1 4.1Å; S342-L346 WeakPolarHBondContact O-CB 3.49Å; S342-L346 PolarHBondContact O-N 3.03Å; L346-D360 PolarHBondContact O-N 3.27Å; L346-T361 HydrophobicContact CD1-CG2 3.75Å; L346-T361 HydrophobicContact CG-CG2 3.99Å; L346-T361 WeakPolarHBondContact O-CG2 3.35Å; L346-T361 PolarHBondContact O-N 3.39Å; L346-T361 PolarHBondContact O-OG1 3.49Å; L346-T361 VanDerWaalsContact O-OG1 3.08Å; L346-M369 HydrophobicContact CD1-CE 4.37Å; L346-M369 HydrophobicContact CD2-CE 3.9Å; L346-I375 HydrophobicContact CD2-CG2 4.35Å
347A89.3Confident90.4Very high29 Ų2948.6 Ų48.624%0.2427%0.27CS..SBendtrans-116.6160.8-17700000111.6T345 Q349 S350T345-A347 PolarHBondContact O-N 3.28Å; A347-Q349 PolarHBondContact O-N 3.41Å; A347-S350 PolarHBondContact N-OG 3.17Å; A347-S350 VanDerWaalsContact O-CB 3.25Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.32Å; A347-S350 PolarHBondContact O-OG 2.85Å
348D89.4Confident90.1Very high70 Ų7051.8 Ų51.837%0.37429%0.286SS..THydrogen-bonded Turntrans-56.3-24.2177.8-62.6-1.9000113.4K358 G359 S362D348-K358 WeakPolarHBondContact OD1-CA 3.28Å; D348-G359 PolarHBondContact OD1-N 3.46Å; D348-S362 VanDerWaalsContact CG-OG 3.25Å; D348-S362 VanDerWaalsContact OD1-CB 3.24Å; D348-S362 WeakPolarHBondContact OD1-CB 3.41Å; D348-S362 PolarHBondContact OD1-OG 3.13Å; D348-S362 PolarHBondContact OD2-OG 3.18Å
349Q83.9Confident89.9Confident126 Ų12651.8 Ų51.859%0.58929%0.286SS*.THydrogen-bonded Turntrans-98.93.8-180-59.3-173.4-35.100113A347 K386A347-Q349 PolarHBondContact O-N 3.41Å; Q349-K386 VanDerWaalsContact NE2-NZ 3.13Å
350S85.4Confident89.7Confident20 Ų2051.9 Ų51.914%0.1429%0.286CS..SBendtrans-66.6152.6-179.3-66.90000111.8Q344 A347 K352 I353Q344-S350 CarbonylContact O-C 3.55Å; Q344-S350 WeakPolarHBondContact O-CB 3.32Å; A347-S350 PolarHBondContact N-OG 3.17Å; A347-S350 VanDerWaalsContact O-CB 3.25Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.32Å; A347-S350 PolarHBondContact O-OG 2.85Å; S350-K352 VanDerWaalsContact C-N 3.26Å; S350-K352 PolarHBondContact O-N 3.33Å; S350-K352 VanDerWaalsContact O-N 3.13Å; S350-I353 PolarHBondContact O-N 3.42Å
351S83.6Confident89.6Confident62 Ų6251.4 Ų51.443%0.43428%0.284SS..THydrogen-bonded Turntrans-61.1-26.5-167.753.60000114.9K117K117-S351 WeakPolarHBondContact CD-O 3.16Å; K117-S351 PolarHBondContact NZ-O 3.12Å
352K86.6Confident89.5Confident72 Ų7252.2 Ų52.231%0.31329%0.29SS..THydrogen-bonded Turntrans-92.2-15.8179.3-153.8178.8178.5175.30112.5K116 K117 V118 Q344 T345 S350K116-K352 WeakPolarHBondContact O-CG 3.35Å; K117-K352 CarbonylContact C-O 3.54Å; K117-K352 VanDerWaalsContact CA-O 3.31Å; K117-K352 WeakPolarHBondContact CA-O 3.14Å; V118-K352 HydrophobicContact CG1-CD 4.34Å; V118-K352 HydrophobicContact CG1-CG 4.17Å; V118-K352 HydrophobicContact CG2-CD 4.43Å; V118-K352 HydrophobicContact CG2-CG 4.04Å; V118-K352 WeakPolarHBondContact CG2-O 3.28Å; V118-K352 PolarHBondContact N-O 3.05Å; Q344-K352 HydrophobicContact CB-CB 3.86Å; Q344-K352 VanDerWaalsContact O-CB 3.23Å; Q344-K352 WeakPolarHBondContact O-CB 3.49Å; Q344-K352 PolarHBondContact O-N 2.9Å; T345-K352 HydrophobicContact CG2-CB 4.01Å; T345-K352 HydrophobicContact CG2-CD 4.11Å; T345-K352 HydrophobicContact CG2-CG 4.47Å; S350-K352 VanDerWaalsContact C-N 3.26Å; S350-K352 PolarHBondContact O-N 3.33Å; S350-K352 VanDerWaalsContact O-N 3.13Å
353I90.1Very high89.8Confident5 Ų552.7 Ų52.73%0.02629%0.292CS..BIsolated β-bridgetrans-77.8131.1179.6-61.3-59.6000110V118 L120 T345 S350 S357V118-I353 HydrophobicContact CG2-CD1 4.26Å; L120-I353 HydrophobicContact CD1-CD1 3.73Å; L120-I353 HydrophobicContact CG-CD1 4.46Å; T345-I353 HydrophobicContact CG2-CD1 4.02Å; S350-I353 PolarHBondContact O-N 3.42Å; I353-S357 WeakPolarHBondContact CG2-OG 3.32Å
354K89.1Confident90.3Very high69 Ų6951.3 Ų51.330%0.328%0.282SS..PPolyproline II helixtrans-65.9135.1173.3-176.2175.8174.3169.80110.2E105 K117 V118 I119 G356 S357E105-K354 IonicContact OE1-NZ 3.77Å; E105-K354 PolarHBondContact OE1-NZ 3.22Å; E105-K354 WeakPolarHBondContact OE2-CE 3.5Å; E105-K354 IonicContact OE2-NZ 3.63Å; E105-K354 PolarHBondContact OE2-NZ 3.25Å; K117-K354 HydrophobicContact CB-CB 4.23Å; V118-K354 PolarHBondContact O-N 3.14Å; V118-K354 VanDerWaalsContact O-N 3.15Å; I119-K354 HydrophobicContact CD1-CD 3.63Å; I119-K354 HydrophobicContact CG1-CB 4.03Å; I119-K354 HydrophobicContact CG1-CD 3.75Å; K354-G356 PolarHBondContact O-N 3.39Å; K354-S357 WeakPolarHBondContact O-CB 3.45Å; K354-S357 PolarHBondContact O-N 3.48Å; K354-S357 PolarHBondContact O-OG 2.95Å
355K87.2Confident90.8Very high201 Ų20152.7 Ų52.787%0.87429%0.287SS*.THydrogen-bonded Turntrans-55128.1179-170.5177.6-179.5-179.60110.9
356G85.9Confident91Very high86 Ų8652.1 Ų52.189%0.88728%0.284SS*.THydrogen-bonded Turntrans91.3-6.4-177.300000114.8K354K354-G356 PolarHBondContact O-N 3.39Å
357S91.3Very high91.3Very high24 Ų2452.7 Ų52.717%0.16829%0.287CS..SBendtrans-97.1170.9170.672.90000111.8I353 K354I353-S357 WeakPolarHBondContact CG2-OG 3.32Å; K354-S357 WeakPolarHBondContact O-CB 3.45Å; K354-S357 PolarHBondContact O-N 3.48Å; K354-S357 PolarHBondContact O-OG 2.95Å
358K92.6Very high91.7Very high129 Ų12951.6 Ų51.656%0.56128%0.277SS*.  trans-95.4140.4-176.6-65.2-178.1-179.7176.20111.4R99 D348 V363R99-K358 VanDerWaalsContact CZ-O 3.29Å; R99-K358 PolarHBondContact NH1-O 3.25Å; R99-K358 PolarHBondContact NH2-O 2.93Å; D348-K358 WeakPolarHBondContact OD1-CA 3.28Å; K358-V363 HydrophobicContact CB-CG2 3.9Å; K358-V363 HydrophobicContact CD-CG2 4.22Å
359G94.1Very high92Very high0 Ų048.5 Ų48.50%026%0.261CS..  trans-82.2179.1165.800000112.1R99 T345 D348 S362R99-G359 VanDerWaalsContact NH1-C 3.27Å; T345-G359 WeakPolarHBondContact O-CA 3.44Å; D348-G359 PolarHBondContact OD1-N 3.46Å; G359-S362 PolarHBondContact O-N 3.46Å
360D95.8Very high92.5Very high2 Ų242.7 Ų42.71%0.01123%0.234CC..Hα-helixtrans-69-42.8-170.7-61.4-33.7000112.7R99 Y123 I314 S341 T345 L346 S362 V363 L364R99-D360 WeakPolarHBondContact CD-OD1 3.37Å; R99-D360 IonicContact CZ-OD1 3.56Å; R99-D360 IonicContact NE-OD1 3.97Å; R99-D360 IonicContact NH1-OD1 3.91Å; R99-D360 PolarHBondContact NH1-OD1 2.83Å; Y123-D360 WeakPolarHBondContact OH-CB 3.49Å; I314-D360 HydrophobicContact CD1-CB 4.19Å; S341-D360 WeakPolarHBondContact CA-OD2 3.41Å; S341-D360 WeakPolarHBondContact CB-OD2 3.29Å; S341-D360 VanDerWaalsContact OG-CB 3.29Å; S341-D360 WeakPolarHBondContact OG-CB 3.48Å; S341-D360 VanDerWaalsContact OG-CG 3.28Å; S341-D360 PolarHBondContact OG-OD2 3.12Å; T345-D360 VanDerWaalsContact C-OD2 3.24Å; T345-D360 WeakPolarHBondContact CB-OD2 3.31Å; T345-D360 PolarHBondContact O-N 2.87Å; T345-D360 PolarHBondContact OG1-OD2 3.15Å; L346-D360 PolarHBondContact O-N 3.27Å; D360-S362 VanDerWaalsContact C-N 3.27Å; D360-S362 PolarHBondContact O-N 2.89Å; D360-V363 PolarHBondContact O-N 2.65Å; D360-L364 WeakPolarHBondContact O-CB 3.24Å; D360-L364 PolarHBondContact O-N 3.42Å
361T94.8Very high92.8Very high1 Ų141.8 Ų41.81%0.00623%0.228CC..Hα-helixtrans-61-36.7179.356.60000112.3I314 L346 V363 K365 L429 G431I314-T361 HydrophobicContact CD1-CG2 3.71Å; L346-T361 HydrophobicContact CD1-CG2 3.75Å; L346-T361 HydrophobicContact CG-CG2 3.99Å; L346-T361 WeakPolarHBondContact O-CG2 3.35Å; L346-T361 PolarHBondContact O-N 3.39Å; L346-T361 PolarHBondContact O-OG1 3.49Å; L346-T361 VanDerWaalsContact O-OG1 3.08Å; T361-V363 VanDerWaalsContact C-N 3.33Å; T361-V363 PolarHBondContact O-N 3.16Å; T361-K365 WeakPolarHBondContact O-CA 2.87Å; T361-K365 PolarHBondContact O-N 3.37Å; T361-L429 PolarHBondContact OG1-O 3.36Å; T361-G431 WeakPolarHBondContact O-CA 3.35Å
362S94.4Very high92.9Very high29 Ų2939 Ų3920%0.20321%0.208CC..Hα-helixtrans-67-31.7179.5-66.50000113.5D348 G359 D360D348-S362 VanDerWaalsContact CG-OG 3.25Å; D348-S362 VanDerWaalsContact OD1-CB 3.24Å; D348-S362 WeakPolarHBondContact OD1-CB 3.41Å; D348-S362 PolarHBondContact OD1-OG 3.13Å; D348-S362 PolarHBondContact OD2-OG 3.18Å; G359-S362 PolarHBondContact O-N 3.46Å; D360-S362 VanDerWaalsContact C-N 3.27Å; D360-S362 PolarHBondContact O-N 2.89Å
363V96.5Very high92.7Very high44 Ų4436 Ų3627%0.26720%0.196SC..Hα-helixtrans-90.3-47.8178.9-178.70000110.7Y123 K358 D360 T361Y123-V363 HydrophobicContact CD2-CG1 4.01Å; Y123-V363 HydrophobicContact CE2-CB 4.42Å; Y123-V363 HydrophobicContact CE2-CG1 4.33Å; K358-V363 HydrophobicContact CB-CG2 3.9Å; K358-V363 HydrophobicContact CD-CG2 4.22Å; D360-V363 PolarHBondContact O-N 2.65Å; T361-V363 VanDerWaalsContact C-N 3.33Å; T361-V363 PolarHBondContact O-N 3.16Å
364L97.3Very high92Very high7 Ų736.9 Ų36.94%0.03720%0.2CC..Hα-helixtrans-72-36.5-174.7-173.962.7000113Y123 W125 T312 I314 D360 P366Y123-L364 HydrophobicContact CD2-CB 4.39Å; Y123-L364 HydrophobicContact CD2-CD1 4.2Å; Y123-L364 HydrophobicContact CE1-CD1 4.4Å; Y123-L364 HydrophobicContact CE2-CB 3.69Å; Y123-L364 HydrophobicContact CE2-CD1 4.05Å; Y123-L364 HydrophobicContact CE2-CG 4.34Å; Y123-L364 HydrophobicContact CG-CD1 4.43Å; W125-L364 HydrophobicContact CH2-CD1 3.72Å; W125-L364 HydrophobicContact CZ2-CD1 3.69Å; T312-L364 HydrophobicContact CG2-CD1 3.58Å; T312-L364 HydrophobicContact CG2-CD2 4.16Å; T312-L364 HydrophobicContact CG2-CG 3.66Å; I314-L364 HydrophobicContact CB-CD2 3.78Å; I314-L364 HydrophobicContact CD1-CD2 4.03Å; I314-L364 HydrophobicContact CG1-CD2 3.82Å; D360-L364 WeakPolarHBondContact O-CB 3.24Å; D360-L364 PolarHBondContact O-N 3.42Å; L364-P366 HydrophobicContact CD2-CB 4.48Å
365K96.3Very high91.7Very high107 Ų10734 Ų3447%0.46519%0.188SC..  trans50.161.6-174.7-55.2-175.5179.6174.80112.9T361 G431 N433T361-K365 WeakPolarHBondContact O-CA 2.87Å; T361-K365 PolarHBondContact O-N 3.37Å; K365-G431 WeakPolarHBondContact CG-O 3.25Å; K365-N433 HydrophobicContact CB-CB 4.27Å; K365-N433 WeakPolarHBondContact O-CB 3.44Å
366P97.2Very high91.6Very high0 Ų024.4 Ų24.40%015%0.146CC..  trans-64.2146.5-173.328.4-35.5000112.6T312 I314 L364 N433 T434T312-P366 CarbonylContact O-C 3.55Å; T312-P366 WeakPolarHBondContact O-CA 3.35Å; I314-P366 HydrophobicContact CB-CB 3.91Å; I314-P366 HydrophobicContact CB-CG 4.09Å; I314-P366 HydrophobicContact CD1-CG 4.41Å; I314-P366 HydrophobicContact CG2-CB 3.94Å; I314-P366 HydrophobicContact CG2-CG 3.92Å; L364-P366 HydrophobicContact CD2-CB 4.48Å; P366-N433 CarbonylContact O-C 3.56Å; P366-N433 VanDerWaalsContact O-C 3.29Å; P366-T434 VanDerWaalsContact O-CA 3.22Å; P366-T434 WeakPolarHBondContact O-CA 3.35Å; P366-T434 PolarHBondContact O-N 3.17Å; P366-T434 PolarHBondContact O-OG1 3.42Å
367T97.3Very high91.2Very high23 Ų2320.9 Ų20.914%0.14111%0.107CC..SBendtrans-92.1-30.9171.663.40000111.5D311 T312 R435 V436D311-T367 VanDerWaalsContact CA-OG1 3.29Å; D311-T367 WeakPolarHBondContact CA-OG1 3.45Å; D311-T367 WeakPolarHBondContact CB-OG1 3.45Å; D311-T367 WeakPolarHBondContact OD1-CB 3.16Å; D311-T367 PolarHBondContact OD1-OG1 3.43Å; T312-T367 PolarHBondContact N-OG1 3.33Å; T312-T367 PolarHBondContact O-N 2.98Å; T312-T367 PolarHBondContact O-OG1 3.23Å; T367-R435 WeakPolarHBondContact O-CG 3.43Å; T367-R435 PolarHBondContact O-N 3.49Å; T367-V436 PolarHBondContact O-N 3.47Å
368L97Very high90.6Very high6 Ų624.3 Ų24.33%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-122140-178-56.2178.7000110.5I304 L307 D311 T312 Y313 I314 R435 V436I304-L368 HydrophobicContact CG2-CD2 4.13Å; L307-L368 HydrophobicContact CD1-CD1 3.47Å; L307-L368 VanDerWaalsContact CD1-CD1 3.47Å; D311-L368 HydrophobicContact CB-CD1 3.77Å; D311-L368 HydrophobicContact CB-CG 4.14Å; T312-L368 PolarHBondContact O-N 3.03Å; T312-L368 VanDerWaalsContact O-N 3.07Å; Y313-L368 HydrophobicContact CD2-CB 3.9Å; I314-L368 PolarHBondContact N-O 2.88Å; L368-R435 HydrophobicContact CD2-CG 4.25Å; L368-V436 HydrophobicContact CD2-CB 3.85Å; L368-V436 HydrophobicContact CD2-CG2 4.24Å
369M95.4Very high90.1Very high6 Ų619.1 Ų19.13%0.0310%0.095CC..EExtended strand (participates in β ladder)trans-149126.3177-176.2177178.100111.1I314 Y316 L346 L430 V436 L437 L438I314-M369 HydrophobicContact CG2-CB 4.04Å; I314-M369 HydrophobicContact CG2-CG 3.76Å; I314-M369 HydrophobicContact CG2-SD 4.23Å; Y316-M369 HydrophobicContact CD1-CE 4.49Å; Y316-M369 HydrophobicContact CE1-CE 3.53Å; Y316-M369 HydrophobicContact CE1-CG 4.23Å; Y316-M369 WeakPolarHBondContact OH-CE 3.38Å; L346-M369 HydrophobicContact CD1-CE 4.37Å; L346-M369 HydrophobicContact CD2-CE 3.9Å; M369-L430 HydrophobicContact CE-CD2 4.43Å; M369-L430 HydrophobicContact SD-CD1 4.48Å; M369-L430 HydrophobicContact SD-CD2 4.03Å; M369-V436 PolarHBondContact N-O 3.15Å; M369-L437 HydrophobicContact CB-CG 4.48Å; M369-L437 WeakPolarHBondContact O-CA 3.25Å; M369-L437 HydrophobicContact SD-CD1 4.48Å; M369-L438 PolarHBondContact O-N 2.92Å
370A94.6Very high89.6Confident3 Ų320.9 Ų20.93%0.02510%0.101CC..EExtended strand (participates in β ladder)trans-87.5145.3161.800000109.1Y313 Y316 L317 A327 L438Y313-A370 HydrophobicContact CE2-CB 4.27Å; Y313-A370 WeakPolarHBondContact OH-CB 3.48Å; Y316-A370 VanDerWaalsContact CE1-O 3.24Å; Y316-A370 WeakPolarHBondContact CE1-O 3.19Å; Y316-A370 PolarHBondContact OH-O 2.88Å; L317-A370 HydrophobicContact CD1-CB 4.31Å; A327-A370 HydrophobicContact CB-CB 4.46Å; A370-L438 CarbonylContact C-O 3.28Å
371S91.6Very high88.8Confident1 Ų122.1 Ų22.11%0.00711%0.107CC..EExtended strand (participates in β ladder)trans-149.5160.8-177.8-176.50000111.2Y316 L438 S439 G440Y316-S371 WeakPolarHBondContact OH-CA 3.3Å; Y316-S371 PolarHBondContact OH-OG 3.34Å; S371-L438 PolarHBondContact N-O 3.43Å; S371-S439 CarbonylContact O-C 3.58Å; S371-S439 WeakPolarHBondContact O-CA 3.4Å; S371-G440 PolarHBondContact O-N 3.48Å
372V86.4Confident88.1Confident4 Ų425.6 Ų25.62%0.02413%0.125CC..  trans-104.8157.3171.7-62.40000110L317 E374 I375 M376L317-V372 HydrophobicContact CD1-CG1 4.37Å; L317-V372 HydrophobicContact CD2-CG1 4.17Å; L317-V372 HydrophobicContact CD2-CG2 4.48Å; V372-E374 VanDerWaalsContact C-N 3.25Å; V372-E374 HydrophobicContact CG2-CB 4.2Å; V372-E374 PolarHBondContact O-N 2.96Å; V372-I375 HydrophobicContact CG2-CB 4.33Å; V372-I375 HydrophobicContact CG2-CG1 3.72Å; V372-I375 PolarHBondContact O-N 2.96Å; V372-M376 PolarHBondContact O-N 2.99Å
373P82Confident87.6Confident10 Ų1024.5 Ų24.57%0.06512%0.117CC..Hα-helixtrans-54-39.6179.4-28.335000113.8I375 M376 D377 A442 P443 L444P373-I375 VanDerWaalsContact C-N 3.29Å; P373-I375 PolarHBondContact O-N 3.12Å; P373-M376 CarbonylContact O-C 3.51Å; P373-M376 WeakPolarHBondContact O-CA 3.18Å; P373-M376 WeakPolarHBondContact O-CB 3.38Å; P373-M376 PolarHBondContact O-N 3.31Å; P373-D377 PolarHBondContact O-N 3.05Å; P373-A442 HydrophobicContact CG-CB 3.86Å; P373-A442 WeakPolarHBondContact CG-O 3.23Å; P373-P443 WeakPolarHBondContact CG-O 3.34Å; P373-L444 HydrophobicContact CB-CB 4.4Å; P373-L444 HydrophobicContact CB-CD1 3.95Å; P373-L444 HydrophobicContact CG-CB 4.16Å
374E75.9Confident86.9Confident23 Ų2323.6 Ų23.611%0.10711%0.11CC..Hα-helixtrans-53.7-44.3178.9-176.563.9-15300113V372 R378 K591 F687V372-E374 VanDerWaalsContact C-N 3.25Å; V372-E374 HydrophobicContact CG2-CB 4.2Å; V372-E374 PolarHBondContact O-N 2.96Å; E374-R378 WeakPolarHBondContact O-CB 3.37Å; E374-R378 PolarHBondContact O-N 2.88Å; E374-K591 WeakPolarHBondContact OE2-CE 3.44Å; E374-K591 IonicContact OE2-NZ 3.89Å; E374-K591 PolarHBondContact OE2-NZ 3.16Å; E374-F687 HydrophobicContact CB-CB 3.79Å; E374-F687 HydrophobicContact CB-CG 4.42Å; E374-F687 HydrophobicContact CG-CB 3.73Å; E374-F687 HydrophobicContact CG-CD1 4.04Å; E374-F687 HydrophobicContact CG-CG 3.96Å
375I81.3Confident86.2Confident8 Ų824.6 Ų24.64%0.04112%0.117CC..Hα-helixtrans-69.3-38.2179.9-62.3-63000110.1Y316 L346 V372 P373 R378 I379Y316-I375 HydrophobicContact CE2-CG1 4.33Å; L346-I375 HydrophobicContact CD2-CG2 4.35Å; V372-I375 HydrophobicContact CG2-CB 4.33Å; V372-I375 HydrophobicContact CG2-CG1 3.72Å; V372-I375 PolarHBondContact O-N 2.96Å; P373-I375 VanDerWaalsContact C-N 3.29Å; P373-I375 PolarHBondContact O-N 3.12Å; I375-R378 PolarHBondContact O-N 3.22Å; I375-I379 HydrophobicContact CG2-CD1 4.11Å; I375-I379 VanDerWaalsContact O-CG1 3.28Å; I375-I379 WeakPolarHBondContact O-CG1 3.38Å; I375-I379 PolarHBondContact O-N 3.29Å
376M85.1Confident85.5Confident0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-66.9-43.1176.4-59.7-161.7-166.800112.5V372 P373 R378 I379 Y380 L437 S439 L444 T448 M452 V460V372-M376 PolarHBondContact O-N 2.99Å; P373-M376 CarbonylContact O-C 3.51Å; P373-M376 WeakPolarHBondContact O-CA 3.18Å; P373-M376 WeakPolarHBondContact O-CB 3.38Å; P373-M376 PolarHBondContact O-N 3.31Å; M376-R378 VanDerWaalsContact C-N 3.29Å; M376-R378 PolarHBondContact O-N 2.71Å; M376-I379 PolarHBondContact O-N 3.22Å; M376-Y380 WeakPolarHBondContact O-CB 3.49Å; M376-Y380 PolarHBondContact O-N 2.9Å; M376-L437 HydrophobicContact CE-CD2 3.1Å; M376-L437 HydrophobicContact SD-CD2 4.13Å; M376-S439 WeakPolarHBondContact CE-OG 3.48Å; M376-L444 HydrophobicContact CB-CD1 4.18Å; M376-L444 HydrophobicContact CE-CD2 4.45Å; M376-L444 HydrophobicContact SD-CD1 4.07Å; M376-L444 HydrophobicContact SD-CD2 3.54Å; M376-L444 VanDerWaalsContact SD-CD2 3.54Å; M376-L444 HydrophobicContact SD-CG 4.48Å; M376-T448 HydrophobicContact CB-CG2 3.94Å; M376-M452 HydrophobicContact CB-CE 4.3Å; M376-M452 HydrophobicContact CB-CG 4.27Å; M376-M452 HydrophobicContact CB-SD 4.5Å; M376-M452 HydrophobicContact CG-CE 4.16Å; M376-M452 HydrophobicContact SD-CE 4.48Å; M376-M452 HydrophobicContact SD-CG 4.25Å; M376-V460 HydrophobicContact CE-CG1 4.22Å; M376-V460 HydrophobicContact SD-CG1 4.06Å
377D78.3Confident84.9Confident11 Ų1123.4 Ų23.46%0.05911%0.112CC..Hα-helixtrans-63.6-38.3177.3-69.3-27.8000110.6P373 Y380 K381 T448P373-D377 PolarHBondContact O-N 3.05Å; D377-Y380 WeakPolarHBondContact O-CB 3.44Å; D377-Y380 PolarHBondContact O-N 2.52Å; D377-K381 WeakPolarHBondContact O-CB 3.46Å; D377-K381 VanDerWaalsContact O-CG 3.3Å; D377-K381 WeakPolarHBondContact O-CG 3.01Å; D377-K381 PolarHBondContact O-N 3.23Å; D377-T448 WeakPolarHBondContact OD1-CB 3.5Å; D377-T448 VanDerWaalsContact OD1-CG2 3.26Å; D377-T448 WeakPolarHBondContact OD1-CG2 3.49Å; D377-T448 PolarHBondContact OD1-OG1 2.92Å
378R78.2Confident84.1Confident96 Ų9626.5 Ų26.536%0.36213%0.128SC..Hα-helixtrans-62.3-44.1172.7-171.6-177.4-61.2171.92.6112E374 I375 M376 K381 N382E374-R378 WeakPolarHBondContact O-CB 3.37Å; E374-R378 PolarHBondContact O-N 2.88Å; I375-R378 PolarHBondContact O-N 3.22Å; M376-R378 VanDerWaalsContact C-N 3.29Å; M376-R378 PolarHBondContact O-N 2.71Å; R378-K381 PolarHBondContact O-N 3.46Å; R378-N382 WeakPolarHBondContact O-CB 3.28Å; R378-N382 PolarHBondContact O-N 2.99Å; R378-N382 PolarHBondContact O-ND2 3.23Å
379I83.1Confident83.5Confident21 Ų2132.2 Ų32.211%0.10816%0.155CC..Hα-helixtrans-62.8-45.5175.8-66.5161.8000110.3I375 M376 K381 N382 V383 L430 M452 M456I375-I379 HydrophobicContact CG2-CD1 4.11Å; I375-I379 VanDerWaalsContact O-CG1 3.28Å; I375-I379 WeakPolarHBondContact O-CG1 3.38Å; I375-I379 PolarHBondContact O-N 3.29Å; M376-I379 PolarHBondContact O-N 3.22Å; I379-K381 PolarHBondContact O-N 3.37Å; I379-N382 PolarHBondContact O-N 3.02Å; I379-V383 HydrophobicContact CG2-CG2 4.3Å; I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.42Å; I379-V383 PolarHBondContact O-N 3.34Å; I379-L430 HydrophobicContact CD1-CD2 4.03Å; I379-M452 HydrophobicContact CB-CE 4.46Å; I379-M452 HydrophobicContact CB-SD 4.4Å; I379-M452 HydrophobicContact CD1-CE 4.06Å; I379-M452 HydrophobicContact CG2-CE 4.28Å; I379-M452 HydrophobicContact CG2-SD 4.11Å; I379-M456 HydrophobicContact CG2-CE 3.34Å
380Y83.6Confident83Confident36 Ų3635.2 Ų35.214%0.14117%0.169CC..Hα-helixtrans-52.6-54.6175.3174.3-85.3000111.2M376 D377 N382 V383 M384 F451M376-Y380 WeakPolarHBondContact O-CB 3.49Å; M376-Y380 PolarHBondContact O-N 2.9Å; D377-Y380 WeakPolarHBondContact O-CB 3.44Å; D377-Y380 PolarHBondContact O-N 2.52Å; Y380-N382 PolarHBondContact O-N 3.22Å; Y380-V383 PolarHBondContact O-N 3.29Å; Y380-M384 HydrophobicContact CD1-CG 4.23Å; Y380-M384 HydrophobicContact CE1-CG 3.81Å; Y380-M384 HydrophobicContact CE2-CE 4.05Å; Y380-M384 HydrophobicContact CE2-CG 4.29Å; Y380-M384 WeakPolarHBondContact O-CG 3.42Å; Y380-M384 PolarHBondContact O-N 3.27Å; Y380-F451 HydrophobicContact CD2-CB 3.7Å; Y380-F451 AromaticContact CD2-CD1 3.33Å; Y380-F451 HydrophobicContact CD2-CD1 3.33Å; Y380-F451 AromaticContact CD2-CD2 3.88Å; Y380-F451 HydrophobicContact CD2-CD2 3.88Å; Y380-F451 AromaticContact CD2-CE1 3.84Å; Y380-F451 HydrophobicContact CD2-CE1 3.84Å; Y380-F451 HydrophobicContact CD2-CE2 4.38Å; Y380-F451 AromaticContact CD2-CG 3.32Å; Y380-F451 HydrophobicContact CD2-CG 3.32Å; Y380-F451 HydrophobicContact CD2-CZ 4.33Å; Y380-F451 HydrophobicContact CE2-CB 3.85Å; Y380-F451 HydrophobicContact CE2-CD1 4.1Å; Y380-F451 AromaticContact CE2-CD2 3.79Å; Y380-F451 HydrophobicContact CE2-CD2 3.79Å; Y380-F451 HydrophobicContact CE2-CE2 4.41Å; Y380-F451 AromaticContact CE2-CG 3.62Å; Y380-F451 HydrophobicContact CE2-CG 3.62Å; Y380-F451 HydrophobicContact CG-CD1 4.18Å; Y380-F451 HydrophobicContact CG-CE1 4.39Å
381K78.2Confident82.6Confident29 Ų2938 Ų3813%0.12619%0.188CC..Hα-helixtrans-60.1-48.4-179.6-72170.6-177.81770111.6D377 R378 I379 V383 M384 T385 I596 D597D377-K381 WeakPolarHBondContact O-CB 3.46Å; D377-K381 VanDerWaalsContact O-CG 3.3Å; D377-K381 WeakPolarHBondContact O-CG 3.01Å; D377-K381 PolarHBondContact O-N 3.23Å; R378-K381 PolarHBondContact O-N 3.46Å; I379-K381 PolarHBondContact O-N 3.37Å; K381-V383 VanDerWaalsContact C-N 3.3Å; K381-V383 PolarHBondContact O-N 2.76Å; K381-M384 PolarHBondContact O-N 3.13Å; K381-M384 VanDerWaalsContact O-N 3.17Å; K381-T385 PolarHBondContact O-N 2.99Å; K381-T385 PolarHBondContact O-OG1 3.47Å; K381-T385 VanDerWaalsContact O-OG1 3.05Å; K381-I596 WeakPolarHBondContact CE-O 3.17Å; K381-I596 PolarHBondContact NZ-O 3.1Å; K381-D597 PolarHBondContact NZ-O 3.37Å; K381-D597 IonicContact NZ-OD1 3.18Å
382N80Confident82.2Confident73 Ų7346.8 Ų46.839%0.3923%0.227SC..Hα-helixtrans-60.5-38.7179.8-74.2-14.6000112.6R378 I379 Y380 K386R378-N382 WeakPolarHBondContact O-CB 3.28Å; R378-N382 PolarHBondContact O-N 2.99Å; R378-N382 PolarHBondContact O-ND2 3.23Å; I379-N382 PolarHBondContact O-N 3.02Å; Y380-N382 PolarHBondContact O-N 3.22Å; N382-K386 WeakPolarHBondContact O-CG 3.27Å; N382-K386 PolarHBondContact O-N 3.08Å
383V83.7Confident81.9Confident6 Ų652.8 Ų52.84%0.03625%0.253CS..Hα-helixtrans-70-44.9175.7176.70000110.6I379 Y380 K381 K386 V387 F398 V426 L429 F451I379-V383 HydrophobicContact CG2-CG2 4.3Å; I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.42Å; I379-V383 PolarHBondContact O-N 3.34Å; Y380-V383 PolarHBondContact O-N 3.29Å; K381-V383 VanDerWaalsContact C-N 3.3Å; K381-V383 PolarHBondContact O-N 2.76Å; V383-K386 PolarHBondContact O-N 2.87Å; V383-V387 HydrophobicContact CG1-CG2 4.34Å; V383-V387 WeakPolarHBondContact O-CG2 3.48Å; V383-V387 PolarHBondContact O-N 2.77Å; V383-F398 HydrophobicContact CG1-CZ 4.4Å; V383-V426 HydrophobicContact CG1-CG1 4.25Å; V383-V426 HydrophobicContact CG1-CG2 4.13Å; V383-V426 HydrophobicContact CG2-CG1 3.75Å; V383-L429 HydrophobicContact CG2-CD1 3.71Å; V383-F451 HydrophobicContact CB-CE1 4.41Å; V383-F451 HydrophobicContact CB-CZ 3.94Å; V383-F451 HydrophobicContact CG1-CZ 3.75Å
384M82.7Confident81.9Confident25 Ų2556.8 Ų56.812%0.12327%0.27CS..Hα-helixtrans-61.4-44.7178.5-74.6-64.7151.200112.3Y380 K381 K386 V387 D388 F451Y380-M384 HydrophobicContact CD1-CG 4.23Å; Y380-M384 HydrophobicContact CE1-CG 3.81Å; Y380-M384 HydrophobicContact CE2-CE 4.05Å; Y380-M384 HydrophobicContact CE2-CG 4.29Å; Y380-M384 WeakPolarHBondContact O-CG 3.42Å; Y380-M384 PolarHBondContact O-N 3.27Å; K381-M384 PolarHBondContact O-N 3.13Å; K381-M384 VanDerWaalsContact O-N 3.17Å; M384-K386 VanDerWaalsContact C-N 3.3Å; M384-K386 PolarHBondContact O-N 2.89Å; M384-V387 CarbonylContact O-C 3.49Å; M384-V387 WeakPolarHBondContact O-CA 3.34Å; M384-V387 WeakPolarHBondContact O-CB 3.19Å; M384-V387 PolarHBondContact O-N 2.79Å; M384-D388 PolarHBondContact O-N 3.2Å; M384-F451 HydrophobicContact CE-CD2 3.54Å; M384-F451 HydrophobicContact CE-CE2 3.04Å; M384-F451 HydrophobicContact CE-CZ 3.78Å
385T82.6Confident82.3Confident29 Ų2959.5 Ų59.518%0.17828%0.282CS..Hα-helixtrans-58.1-43175.2-580000111.6K381 V387 D388 E389K381-T385 PolarHBondContact O-N 2.99Å; K381-T385 PolarHBondContact O-OG1 3.47Å; K381-T385 VanDerWaalsContact O-OG1 3.05Å; T385-V387 VanDerWaalsContact C-N 3.33Å; T385-V387 PolarHBondContact O-N 2.9Å; T385-D388 PolarHBondContact O-N 3.43Å; T385-E389 WeakPolarHBondContact O-CG 3.21Å; T385-E389 PolarHBondContact O-N 2.85Å
386K82.3Confident82.3Confident77 Ų7760.4 Ų60.434%0.33529%0.288SS..Hα-helixtrans-64.4-38175.2-76-179.6180174.70112.3Q349 N382 V383 M384 D388 E389 M390Q349-K386 VanDerWaalsContact NE2-NZ 3.13Å; N382-K386 WeakPolarHBondContact O-CG 3.27Å; N382-K386 PolarHBondContact O-N 3.08Å; V383-K386 PolarHBondContact O-N 2.87Å; M384-K386 VanDerWaalsContact C-N 3.3Å; M384-K386 PolarHBondContact O-N 2.89Å; K386-D388 VanDerWaalsContact C-N 3.33Å; K386-E389 PolarHBondContact O-N 2.72Å; K386-M390 WeakPolarHBondContact O-CG 3.49Å; K386-M390 PolarHBondContact O-N 2.86Å
387V83.6Confident82.2Confident5 Ų563.8 Ų63.83%0.0331%0.305CS..Hα-helixtrans-66.9-35.4175.9170.40000111.3V383 M384 T385 E389 M390 K395 F398V383-V387 HydrophobicContact CG1-CG2 4.34Å; V383-V387 WeakPolarHBondContact O-CG2 3.48Å; V383-V387 PolarHBondContact O-N 2.77Å; M384-V387 CarbonylContact O-C 3.49Å; M384-V387 WeakPolarHBondContact O-CA 3.34Å; M384-V387 WeakPolarHBondContact O-CB 3.19Å; M384-V387 PolarHBondContact O-N 2.79Å; T385-V387 VanDerWaalsContact C-N 3.33Å; T385-V387 PolarHBondContact O-N 2.9Å; V387-E389 VanDerWaalsContact C-N 3.32Å; V387-M390 HydrophobicContact CG2-CE 4.13Å; V387-M390 HydrophobicContact CG2-SD 4.43Å; V387-M390 WeakPolarHBondContact O-CB 3.38Å; V387-M390 PolarHBondContact O-N 2.66Å; V387-K395 HydrophobicContact CG1-CG 4.03Å; V387-F398 HydrophobicContact CG1-CD1 3.87Å; V387-F398 HydrophobicContact CG1-CE1 4.38Å; V387-F398 HydrophobicContact CG1-CG 4.34Å; V387-F398 HydrophobicContact CG2-CD1 3.86Å; V387-F398 HydrophobicContact CG2-CD2 4.19Å; V387-F398 HydrophobicContact CG2-CE1 3.83Å; V387-F398 HydrophobicContact CG2-CE2 4.16Å; V387-F398 HydrophobicContact CG2-CG 4.04Å; V387-F398 HydrophobicContact CG2-CZ 3.98Å
388D81.1Confident82.6Confident88 Ų8863.8 Ų63.847%0.47131%0.305SS..Hα-helixtrans-70.3-28.8176-72.1-34000112.9M384 T385 K386 M390 K395M384-D388 PolarHBondContact O-N 3.2Å; T385-D388 PolarHBondContact O-N 3.43Å; K386-D388 VanDerWaalsContact C-N 3.33Å; D388-M390 VanDerWaalsContact C-N 3.29Å; D388-K395 WeakPolarHBondContact OD1-CE 3.19Å; D388-K395 IonicContact OD1-NZ 2.89Å; D388-K395 PolarHBondContact OD1-NZ 2.88Å
389E84.3Confident83Confident126 Ų12660 Ų6059%0.58929%0.292SS*.THydrogen-bonded Turntrans-77.6-11173.3-70.4169.8-179.200113.4T385 K386 V387 K619T385-E389 WeakPolarHBondContact O-CG 3.21Å; T385-E389 PolarHBondContact O-N 2.85Å; K386-E389 PolarHBondContact O-N 2.72Å; V387-E389 VanDerWaalsContact C-N 3.32Å; E389-K619 IonicContact OE1-NZ 2.76Å; E389-K619 PolarHBondContact OE1-NZ 3.29Å
390M84.7Confident83Confident69 Ų6959.4 Ų59.434%0.3429%0.289SS..SBendtrans-73.1159.7178.8-69.7178.3-166.700112.7K386 V387 D388 Q394K386-M390 WeakPolarHBondContact O-CG 3.49Å; K386-M390 PolarHBondContact O-N 2.86Å; V387-M390 HydrophobicContact CG2-CE 4.13Å; V387-M390 HydrophobicContact CG2-SD 4.43Å; V387-M390 WeakPolarHBondContact O-CB 3.38Å; V387-M390 PolarHBondContact O-N 2.66Å; D388-M390 VanDerWaalsContact C-N 3.29Å; M390-Q394 HydrophobicContact CB-CB 3.83Å; M390-Q394 HydrophobicContact CG-CB 4.33Å; M390-Q394 HydrophobicContact SD-CB 4.17Å
391S86.4Confident83.2Confident60 Ų6057.9 Ų57.942%0.4228%0.284SS..  trans-62153.2171.374.10000111F393 Q394 K395S391-F393 PolarHBondContact O-N 3.42Å; S391-F393 VanDerWaalsContact O-N 3.11Å; S391-Q394 PolarHBondContact O-N 3.44Å; S391-Q394 WeakPolarHBondContact OG-CG 3.46Å; S391-Q394 PolarHBondContact OG-N 2.96Å; S391-Q394 PolarHBondContact OG-OE1 3.22Å; S391-K395 PolarHBondContact O-N 2.81Å
392K82.4Confident83.7Confident187 Ų18756.9 Ų56.981%0.81328%0.28SS*.Hα-helixtrans-49.3-43.2179.5-68.9-175.7179.6-179.20112.1K395 T396K392-K395 PolarHBondContact O-N 3.14Å; K392-T396 WeakPolarHBondContact O-CB 3.49Å; K392-T396 PolarHBondContact O-N 3.49Å; K392-T396 PolarHBondContact O-OG1 3.45Å
393F80.4Confident84Confident130 Ų13054 Ų5457%0.5726%0.264SS*.Hα-helixtrans-62.1-48177.6179-98.5000113S391 T396 L397S391-F393 PolarHBondContact O-N 3.42Å; S391-F393 VanDerWaalsContact O-N 3.11Å; F393-T396 PolarHBondContact O-N 3.31Å; F393-L397 WeakPolarHBondContact O-CB 3.47Å; F393-L397 PolarHBondContact O-N 3.48Å
394Q82.6Confident84.1Confident94 Ų9455 Ų5544%0.43927%0.268SS..Hα-helixtrans-64.3-41.9178.9-74.9172-2700111.8M390 S391 L397 F398M390-Q394 HydrophobicContact CB-CB 3.83Å; M390-Q394 HydrophobicContact CG-CB 4.33Å; M390-Q394 HydrophobicContact SD-CB 4.17Å; S391-Q394 PolarHBondContact O-N 3.44Å; S391-Q394 WeakPolarHBondContact OG-CG 3.46Å; S391-Q394 PolarHBondContact OG-N 2.96Å; S391-Q394 PolarHBondContact OG-OE1 3.22Å; Q394-L397 PolarHBondContact O-N 2.83Å; Q394-F398 PolarHBondContact O-N 3.47Å
395K83.9Confident84.3Confident80 Ų8053.9 Ų53.935%0.34826%0.262SS..Hα-helixtrans-61.2-47.5175.5-174.6173.3-171.8170.30111.4V387 D388 S391 K392 L397 F398 V399V387-K395 HydrophobicContact CG1-CG 4.03Å; D388-K395 WeakPolarHBondContact OD1-CE 3.19Å; D388-K395 IonicContact OD1-NZ 2.89Å; D388-K395 PolarHBondContact OD1-NZ 2.88Å; S391-K395 PolarHBondContact O-N 2.81Å; K392-K395 PolarHBondContact O-N 3.14Å; K395-L397 PolarHBondContact O-N 3.45Å; K395-F398 PolarHBondContact O-N 3.04Å; K395-V399 WeakPolarHBondContact O-CG2 3.17Å; K395-V399 PolarHBondContact O-N 3.43Å
396T81.5Confident84.5Confident27 Ų2753.9 Ų53.917%0.16626%0.26CS..Hα-helixtrans-59.2-45.3175.5-620000111.6I7 L11 K392 F393 F398 V399 L400I7-T396 HydrophobicContact CD1-CG2 3.66Å; I7-T396 HydrophobicContact CG1-CG2 3.78Å; I7-T396 HydrophobicContact CG2-CG2 4.43Å; L11-T396 HydrophobicContact CD2-CG2 4.37Å; K392-T396 WeakPolarHBondContact O-CB 3.49Å; K392-T396 PolarHBondContact O-N 3.49Å; K392-T396 PolarHBondContact O-OG1 3.45Å; F393-T396 PolarHBondContact O-N 3.31Å; T396-F398 VanDerWaalsContact C-N 3.34Å; T396-F398 PolarHBondContact O-N 3.39Å; T396-V399 PolarHBondContact O-N 2.79Å; T396-L400 HydrophobicContact CG2-CD1 3.84Å; T396-L400 HydrophobicContact CG2-CG 4.36Å; T396-L400 WeakPolarHBondContact O-CB 3.36Å; T396-L400 VanDerWaalsContact O-CG 3.28Å; T396-L400 WeakPolarHBondContact O-CG 3.39Å; T396-L400 PolarHBondContact O-N 3.43Å
397L82.9Confident84.6Confident70 Ų7054.4 Ų54.437%0.36626%0.264SS..Hα-helixtrans-61.3-41.9177.8-177.863.1000112.1F15 F393 Q394 K395 L400 A401F15-L397 HydrophobicContact CD2-CD1 4.25Å; F15-L397 HydrophobicContact CE2-CD1 3.97Å; F393-L397 WeakPolarHBondContact O-CB 3.47Å; F393-L397 PolarHBondContact O-N 3.48Å; Q394-L397 PolarHBondContact O-N 2.83Å; K395-L397 PolarHBondContact O-N 3.45Å; L397-L400 PolarHBondContact O-N 3.43Å; L397-A401 VanDerWaalsContact O-CB 3.27Å; L397-A401 WeakPolarHBondContact O-CB 3.44Å; L397-A401 PolarHBondContact O-N 3.01Å
398F86.8Confident84.6Confident11 Ų1155.3 Ų55.35%0.04827%0.268CS..Hα-helixtrans-62.5-47176.3-178.8-90.7000111.9L3 V383 V387 Q394 K395 T396 L400 A401 Y402 V422 F423L3-F398 HydrophobicContact CD1-CE1 4.35Å; V383-F398 HydrophobicContact CG1-CZ 4.4Å; V387-F398 HydrophobicContact CG1-CD1 3.87Å; V387-F398 HydrophobicContact CG1-CE1 4.38Å; V387-F398 HydrophobicContact CG1-CG 4.34Å; V387-F398 HydrophobicContact CG2-CD1 3.86Å; V387-F398 HydrophobicContact CG2-CD2 4.19Å; V387-F398 HydrophobicContact CG2-CE1 3.83Å; V387-F398 HydrophobicContact CG2-CE2 4.16Å; V387-F398 HydrophobicContact CG2-CG 4.04Å; V387-F398 HydrophobicContact CG2-CZ 3.98Å; Q394-F398 PolarHBondContact O-N 3.47Å; K395-F398 PolarHBondContact O-N 3.04Å; T396-F398 VanDerWaalsContact C-N 3.34Å; T396-F398 PolarHBondContact O-N 3.39Å; F398-L400 VanDerWaalsContact C-N 3.33Å; F398-L400 PolarHBondContact O-N 2.86Å; F398-A401 PolarHBondContact O-N 3.29Å; F398-Y402 VanDerWaalsContact O-CB 3.26Å; F398-Y402 WeakPolarHBondContact O-CB 3.22Å; F398-Y402 PolarHBondContact O-N 3.41Å; F398-V422 HydrophobicContact CD2-CG1 4.05Å; F398-F423 HydrophobicContact CE2-CD1 4.3Å; F398-F423 AromaticContact CE2-CE1 3.84Å; F398-F423 HydrophobicContact CE2-CE1 3.84Å; F398-F423 HydrophobicContact CZ-CE1 4.17Å
399V85.7Confident84.6Confident16 Ų1652 Ų5210%0.09725%0.25CS..Hα-helixtrans-58.1-46.3177.8164.60000111.2L3 E5 K395 T396 Y402 N403L3-V399 HydrophobicContact CB-CB 4.36Å; L3-V399 HydrophobicContact CB-CG1 3.78Å; L3-V399 HydrophobicContact CB-CG2 4.03Å; L3-V399 HydrophobicContact CD1-CG2 4.03Å; E5-V399 HydrophobicContact CG-CG1 4.11Å; K395-V399 WeakPolarHBondContact O-CG2 3.17Å; K395-V399 PolarHBondContact O-N 3.43Å; T396-V399 PolarHBondContact O-N 2.79Å; V399-Y402 PolarHBondContact O-N 3.06Å; V399-N403 WeakPolarHBondContact O-CB 3.37Å; V399-N403 PolarHBondContact O-N 3.22Å
400L84.1Confident84.3Confident9 Ų949.1 Ų49.15%0.04724%0.244CC..Hα-helixtrans-65.4-44.7179.1-73.4173.6000112.1I7 L12 F15 T396 L397 F398 Y402 N403 Y404I7-L400 HydrophobicContact CD1-CD1 4.1Å; I7-L400 HydrophobicContact CD1-CD2 3.7Å; I7-L400 HydrophobicContact CD1-CG 3.89Å; L12-L400 HydrophobicContact CD1-CD2 3.63Å; F15-L400 HydrophobicContact CB-CD1 3.97Å; F15-L400 HydrophobicContact CD1-CB 3.95Å; F15-L400 HydrophobicContact CD1-CD1 3.88Å; F15-L400 HydrophobicContact CD1-CD2 4.03Å; F15-L400 HydrophobicContact CD1-CG 4.18Å; F15-L400 HydrophobicContact CD2-CB 4.19Å; F15-L400 HydrophobicContact CD2-CD1 3.88Å; F15-L400 HydrophobicContact CE1-CB 3.54Å; F15-L400 HydrophobicContact CE1-CD1 4.35Å; F15-L400 HydrophobicContact CE1-CD2 4.2Å; F15-L400 HydrophobicContact CE1-CG 4.25Å; F15-L400 HydrophobicContact CE2-CB 3.8Å; F15-L400 HydrophobicContact CE2-CD1 4.35Å; F15-L400 HydrophobicContact CG-CB 4.26Å; F15-L400 HydrophobicContact CG-CD1 3.63Å; F15-L400 HydrophobicContact CG-CG 4.4Å; F15-L400 HydrophobicContact CZ-CB 3.47Å; F15-L400 VanDerWaalsContact CZ-CB 3.47Å; T396-L400 HydrophobicContact CG2-CD1 3.84Å; T396-L400 HydrophobicContact CG2-CG 4.36Å; T396-L400 WeakPolarHBondContact O-CB 3.36Å; T396-L400 VanDerWaalsContact O-CG 3.28Å; T396-L400 WeakPolarHBondContact O-CG 3.39Å; T396-L400 PolarHBondContact O-N 3.43Å; L397-L400 PolarHBondContact O-N 3.43Å; F398-L400 VanDerWaalsContact C-N 3.33Å; F398-L400 PolarHBondContact O-N 2.86Å; L400-Y402 VanDerWaalsContact C-N 3.34Å; L400-Y402 PolarHBondContact O-N 3.44Å; L400-N403 PolarHBondContact O-N 3.12Å; L400-Y404 WeakPolarHBondContact O-CB 3.35Å; L400-Y404 PolarHBondContact O-N 3.47Å
401A86.5Confident83.9Confident4 Ų449.7 Ų49.73%0.03325%0.245CC..Hα-helixtrans-62.6-40175.800000112.3L397 F398 K405 V422 F423L397-A401 VanDerWaalsContact O-CB 3.27Å; L397-A401 WeakPolarHBondContact O-CB 3.44Å; L397-A401 PolarHBondContact O-N 3.01Å; F398-A401 PolarHBondContact O-N 3.29Å; A401-K405 VanDerWaalsContact O-CB 3.32Å; A401-K405 WeakPolarHBondContact O-CB 3.45Å; A401-K405 PolarHBondContact O-N 3.44Å; A401-V422 HydrophobicContact CB-CB 4.32Å; A401-V422 HydrophobicContact CB-CG1 3.96Å; A401-V422 HydrophobicContact CB-CG2 4.01Å; A401-F423 HydrophobicContact CB-CE2 4.38Å; A401-F423 HydrophobicContact CB-CZ 4.39Å
402Y88.9Confident83.3Confident9 Ų947.6 Ų47.64%0.03523%0.232CC..Hα-helixtrans-63-52.1175.8179.9-84.9000111.7L3 F398 V399 L400 Y404 K405 M406 F451 V454L3-Y402 HydrophobicContact CD1-CD1 3.74Å; L3-Y402 HydrophobicContact CD1-CD2 4.45Å; L3-Y402 HydrophobicContact CD1-CE1 4.31Å; L3-Y402 HydrophobicContact CD1-CG 3.83Å; L3-Y402 HydrophobicContact CG-CD1 3.99Å; L3-Y402 HydrophobicContact CG-CE1 4.23Å; F398-Y402 VanDerWaalsContact O-CB 3.26Å; F398-Y402 WeakPolarHBondContact O-CB 3.22Å; F398-Y402 PolarHBondContact O-N 3.41Å; V399-Y402 PolarHBondContact O-N 3.06Å; L400-Y402 VanDerWaalsContact C-N 3.34Å; L400-Y402 PolarHBondContact O-N 3.44Å; Y402-Y404 VanDerWaalsContact C-N 3.32Å; Y402-Y404 PolarHBondContact O-N 3.44Å; Y402-K405 PolarHBondContact O-N 2.9Å; Y402-M406 HydrophobicContact CE1-SD 4.39Å; Y402-M406 WeakPolarHBondContact O-CB 3.43Å; Y402-M406 PolarHBondContact O-N 3.36Å; Y402-F451 HydrophobicContact CD2-CD2 4.36Å; Y402-F451 AromaticContact CE2-CD2 3.54Å; Y402-F451 HydrophobicContact CE2-CD2 3.54Å; Y402-F451 HydrophobicContact CE2-CE2 4.11Å; Y402-F451 HydrophobicContact CE2-CG 4.41Å; Y402-F451 WeakPolarHBondContact OH-CA 3.41Å; Y402-V454 HydrophobicContact CD2-CB 4.05Å; Y402-V454 HydrophobicContact CD2-CG1 3.41Å; Y402-V454 VanDerWaalsContact CD2-CG1 3.41Å; Y402-V454 HydrophobicContact CE2-CB 3.69Å; Y402-V454 HydrophobicContact CE2-CG1 3.6Å; Y402-V454 HydrophobicContact CE2-CG2 4.12Å; Y402-V454 HydrophobicContact CG-CG1 4.1Å
403N87.5Confident82.9Confident13 Ų1341 Ų417%0.0720%0.202CC..Hα-helixtrans-61.3-41.9179.8-76.1-14.8000111L3 E5 V399 L400 E407L3-N403 PolarHBondContact N-OD1 3.43Å; L3-N403 VanDerWaalsContact N-OD1 3.12Å; L3-N403 PolarHBondContact O-ND2 3.12Å; E5-N403 PolarHBondContact OE1-ND2 2.92Å; V399-N403 WeakPolarHBondContact O-CB 3.37Å; V399-N403 PolarHBondContact O-N 3.22Å; L400-N403 PolarHBondContact O-N 3.12Å; N403-E407 PolarHBondContact O-N 3.14Å
404Y85.3Confident82.7Confident26 Ų2637.3 Ų37.310%0.10219%0.193CC..Hα-helixtrans-60.2-54174.7173.6-106.5000111.9V19 Y22 S23 L400 Y402 M406 E407 Q408 T415V19-Y404 HydrophobicContact CG1-CD2 3.4Å; V19-Y404 VanDerWaalsContact CG1-CD2 3.4Å; V19-Y404 HydrophobicContact CG1-CE2 3.26Å; V19-Y404 HydrophobicContact CG1-CG 4.21Å; Y22-Y404 HydrophobicContact CD1-CE1 4.24Å; Y22-Y404 AromaticContact CD1-CZ 3.99Å; Y22-Y404 VanDerWaalsContact CD1-OH 3.31Å; Y22-Y404 WeakPolarHBondContact CD1-OH 3.43Å; Y22-Y404 AromaticContact CE1-CE1 3.86Å; Y22-Y404 HydrophobicContact CE1-CE1 3.86Å; Y22-Y404 AromaticContact CE1-CZ 3.91Å; Y22-Y404 WeakPolarHBondContact CE1-OH 3.21Å; S23-Y404 PolarHBondContact OG-OH 3.37Å; L400-Y404 WeakPolarHBondContact O-CB 3.35Å; L400-Y404 PolarHBondContact O-N 3.47Å; Y402-Y404 VanDerWaalsContact C-N 3.32Å; Y402-Y404 PolarHBondContact O-N 3.44Å; Y404-M406 VanDerWaalsContact C-N 3.32Å; Y404-M406 PolarHBondContact O-N 3.33Å; Y404-E407 WeakPolarHBondContact O-CB 3.26Å; Y404-E407 PolarHBondContact O-N 3.37Å; Y404-E407 VanDerWaalsContact O-N 3.12Å; Y404-Q408 HydrophobicContact CD1-CG 4.28Å; Y404-Q408 HydrophobicContact CD2-CG 4.25Å; Y404-Q408 HydrophobicContact CE1-CG 3.84Å; Y404-Q408 HydrophobicContact CE2-CG 3.81Å; Y404-Q408 VanDerWaalsContact CE2-NE2 3.32Å; Y404-Q408 HydrophobicContact CG-CG 4.48Å; Y404-Q408 WeakPolarHBondContact O-CG 3.36Å; Y404-Q408 PolarHBondContact O-N 2.86Å; Y404-T415 HydrophobicContact CD1-CG2 4.39Å; Y404-T415 HydrophobicContact CE1-CG2 3.9Å
405K87.1Confident82.6Confident2 Ų232.9 Ų32.91%0.00917%0.172CC..Hα-helixtrans-61.4-40.5-178.3179.1168.8-177178.60112.2A401 Y402 E407 Q408 L409 T415 D419 F423 V454 C457A401-K405 VanDerWaalsContact O-CB 3.32Å; A401-K405 WeakPolarHBondContact O-CB 3.45Å; A401-K405 PolarHBondContact O-N 3.44Å; Y402-K405 PolarHBondContact O-N 2.9Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 3.09Å; K405-Q408 PolarHBondContact O-N 2.91Å; K405-L409 HydrophobicContact CG-CD1 4.04Å; K405-L409 HydrophobicContact CG-CG 4.26Å; K405-L409 WeakPolarHBondContact O-CG 3.32Å; K405-L409 PolarHBondContact O-N 3.38Å; K405-T415 HydrophobicContact CB-CG2 4.38Å; K405-T415 VanDerWaalsContact CD-OG1 3.23Å; K405-T415 WeakPolarHBondContact CD-OG1 3.27Å; K405-T415 WeakPolarHBondContact CE-OG1 3.43Å; K405-T415 HydrophobicContact CG-CG2 4.22Å; K405-T415 WeakPolarHBondContact CG-OG1 3.28Å; K405-D419 WeakPolarHBondContact CD-OD1 3.37Å; K405-D419 WeakPolarHBondContact CE-OD1 3.37Å; K405-D419 VanDerWaalsContact NZ-CG 3.33Å; K405-D419 IonicContact NZ-OD1 3.7Å; K405-D419 PolarHBondContact NZ-OD1 2.89Å; K405-D419 IonicContact NZ-OD2 3.3Å; K405-F423 HydrophobicContact CB-CE2 4.18Å; K405-F423 HydrophobicContact CD-CD2 3.79Å; K405-F423 HydrophobicContact CD-CE2 3.57Å; K405-F423 HydrophobicContact CD-CZ 4.32Å; K405-V454 HydrophobicContact CB-CG1 4.06Å; K405-V454 HydrophobicContact CD-CG1 3.88Å; K405-V454 WeakPolarHBondContact CD-O 3.38Å; K405-V454 WeakPolarHBondContact CE-O 3.44Å; K405-V454 HydrophobicContact CG-CG1 3.96Å; K405-V454 PolarHBondContact NZ-O 2.99Å; K405-C457 PolarHBondContact NZ-SG 2.95Å
406M87Confident82.3Confident28 Ų2832.3 Ų32.314%0.13818%0.177CC..Hα-helixtrans-57.9-42.9175.6-174.3-170.76500111.8K2 Y402 Y404 S410 R450 V454K2-M406 HydrophobicContact CG-CE 3.61Å; Y402-M406 HydrophobicContact CE1-SD 4.39Å; Y402-M406 WeakPolarHBondContact O-CB 3.43Å; Y402-M406 PolarHBondContact O-N 3.36Å; Y404-M406 VanDerWaalsContact C-N 3.32Å; Y404-M406 PolarHBondContact O-N 3.33Å; M406-S410 PolarHBondContact O-N 2.81Å; M406-S410 VanDerWaalsContact O-N 3.13Å; M406-R450 HydrophobicContact CG-CG 4.23Å; M406-R450 HydrophobicContact SD-CG 4.17Å; M406-V454 HydrophobicContact CB-CG2 4.01Å; M406-V454 HydrophobicContact CG-CG2 4.39Å
407E84.6Confident82Confident88 Ų8834.9 Ų34.941%0.41119%0.189SC..Hα-helixtrans-66.3-43.2176.9-169.3-176.9158.500111.7N403 Y404 K405 S410 K411N403-E407 PolarHBondContact O-N 3.14Å; Y404-E407 WeakPolarHBondContact O-CB 3.26Å; Y404-E407 PolarHBondContact O-N 3.37Å; Y404-E407 VanDerWaalsContact O-N 3.12Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 3.09Å; E407-S410 PolarHBondContact O-N 3.01Å; E407-S410 PolarHBondContact O-OG 3.01Å; E407-K411 PolarHBondContact O-N 2.95Å; E407-K411 WeakPolarHBondContact OE1-CE 3.25Å; E407-K411 IonicContact OE1-NZ 3.55Å; E407-K411 PolarHBondContact OE1-NZ 3.12Å
408Q83.1Confident81.9Confident25 Ų2532.3 Ų32.312%0.11718%0.177CC..Hα-helixtrans-61.4-47.5177.1-63.5-54.4-49.100111.6Y404 K405 S410 K411 G412 Y413 T415Y404-Q408 HydrophobicContact CD1-CG 4.28Å; Y404-Q408 HydrophobicContact CD2-CG 4.25Å; Y404-Q408 HydrophobicContact CE1-CG 3.84Å; Y404-Q408 HydrophobicContact CE2-CG 3.81Å; Y404-Q408 VanDerWaalsContact CE2-NE2 3.32Å; Y404-Q408 HydrophobicContact CG-CG 4.48Å; Y404-Q408 WeakPolarHBondContact O-CG 3.36Å; Y404-Q408 PolarHBondContact O-N 2.86Å; K405-Q408 PolarHBondContact O-N 2.91Å; Q408-S410 VanDerWaalsContact C-N 3.27Å; Q408-S410 PolarHBondContact O-N 3.11Å; Q408-K411 CarbonylContact O-C 3.53Å; Q408-K411 WeakPolarHBondContact O-CA 3.47Å; Q408-K411 WeakPolarHBondContact O-CB 3.48Å; Q408-K411 PolarHBondContact O-N 2.92Å; Q408-G412 PolarHBondContact O-N 3.07Å; Q408-Y413 CarbonylContact C-O 3.59Å; Q408-Y413 WeakPolarHBondContact O-CA 3.43Å; Q408-Y413 WeakPolarHBondContact O-CB 3.5Å; Q408-Y413 PolarHBondContact O-N 3.31Å; Q408-Y413 VanDerWaalsContact OE1-CD2 3.32Å; Q408-T415 HydrophobicContact CB-CG2 3.7Å; Q408-T415 HydrophobicContact CG-CG2 3.79Å
409L81.5Confident81.7Confident18 Ų1833.4 Ų33.49%0.09418%0.183CC..Hα-helixtrans-59.5-37.9177.1-72.1173.5000112.1K405 K411 G412 Y413 V454 Y481K405-L409 HydrophobicContact CG-CD1 4.04Å; K405-L409 HydrophobicContact CG-CG 4.26Å; K405-L409 WeakPolarHBondContact O-CG 3.32Å; K405-L409 PolarHBondContact O-N 3.38Å; L409-K411 PolarHBondContact O-N 2.95Å; L409-G412 PolarHBondContact O-N 3.28Å; L409-Y413 WeakPolarHBondContact CA-O 3.38Å; L409-Y413 PolarHBondContact N-O 2.94Å; L409-V454 HydrophobicContact CD1-CG2 3.99Å; L409-Y481 HydrophobicContact CD2-CD1 4.48Å; L409-Y481 HydrophobicContact CD2-CE1 3.94Å
410S78Confident81.5Confident66 Ų6642 Ų4246%0.46221%0.214SC..Hα-helixtrans-64.3-22.3176.377.20000113.8M406 E407 Q408M406-S410 PolarHBondContact O-N 2.81Å; M406-S410 VanDerWaalsContact O-N 3.13Å; E407-S410 PolarHBondContact O-N 3.01Å; E407-S410 PolarHBondContact O-OG 3.01Å; Q408-S410 VanDerWaalsContact C-N 3.27Å; Q408-S410 PolarHBondContact O-N 3.11Å
411K76.3Confident81.3Confident81 Ų8147.6 Ų47.635%0.35224%0.243SC..THydrogen-bonded Turntrans-92.23.3174.2-62.8174-172.9171.10112.5E407 Q408 L409 Y413E407-K411 PolarHBondContact O-N 2.95Å; E407-K411 WeakPolarHBondContact OE1-CE 3.25Å; E407-K411 IonicContact OE1-NZ 3.55Å; E407-K411 PolarHBondContact OE1-NZ 3.12Å; Q408-K411 CarbonylContact O-C 3.53Å; Q408-K411 WeakPolarHBondContact O-CA 3.47Å; Q408-K411 WeakPolarHBondContact O-CB 3.48Å; Q408-K411 PolarHBondContact O-N 2.92Å; L409-K411 PolarHBondContact O-N 2.95Å; K411-Y413 VanDerWaalsContact C-N 3.35Å; K411-Y413 HydrophobicContact CB-CD2 3.63Å; K411-Y413 HydrophobicContact CB-CE2 3.7Å; K411-Y413 HydrophobicContact CB-CG 4.1Å; K411-Y413 HydrophobicContact CD-CD2 4.29Å; K411-Y413 HydrophobicContact CD-CE2 4.09Å; K411-Y413 WeakPolarHBondContact O-CD1 3.38Å
412G72.3Confident81.2Confident15 Ų1548.9 Ų48.916%0.15525%0.25CC..THydrogen-bonded Turntrans80.415.3-175.500000113.7Q408 L409Q408-G412 PolarHBondContact O-N 3.07Å; L409-G412 PolarHBondContact O-N 3.28Å
413Y76.1Confident81.1Confident48 Ų4848.5 Ų48.519%0.18825%0.248CC..  trans-99.9143.2-174.3-53.3-27.3000113.5F27 W30 A36 Q408 L409 K411F27-Y413 HydrophobicContact CD2-CE2 4.43Å; F27-Y413 HydrophobicContact CE2-CD2 4.33Å; F27-Y413 HydrophobicContact CE2-CE1 4.26Å; F27-Y413 AromaticContact CE2-CE2 3.68Å; F27-Y413 HydrophobicContact CE2-CE2 3.68Å; F27-Y413 AromaticContact CE2-CZ 3.62Å; W30-Y413 AromaticContact CH2-CD1 3.4Å; W30-Y413 HydrophobicContact CH2-CD1 3.4Å; W30-Y413 VanDerWaalsContact CH2-CD1 3.4Å; W30-Y413 HydrophobicContact CH2-CE1 4.35Å; W30-Y413 AromaticContact CH2-CG 3.88Å; W30-Y413 HydrophobicContact CH2-CG 3.88Å; W30-Y413 AromaticContact CZ3-CD1 3.25Å; W30-Y413 HydrophobicContact CZ3-CD1 3.25Å; W30-Y413 AromaticContact CZ3-CE1 3.93Å; W30-Y413 HydrophobicContact CZ3-CE1 3.93Å; W30-Y413 AromaticContact CZ3-CG 3.65Å; W30-Y413 HydrophobicContact CZ3-CG 3.65Å; A36-Y413 HydrophobicContact CB-CD1 3.92Å; A36-Y413 HydrophobicContact CB-CE1 3.87Å; Q408-Y413 CarbonylContact C-O 3.59Å; Q408-Y413 WeakPolarHBondContact O-CA 3.43Å; Q408-Y413 WeakPolarHBondContact O-CB 3.5Å; Q408-Y413 PolarHBondContact O-N 3.31Å; Q408-Y413 VanDerWaalsContact OE1-CD2 3.32Å; L409-Y413 WeakPolarHBondContact CA-O 3.38Å; L409-Y413 PolarHBondContact N-O 2.94Å; K411-Y413 VanDerWaalsContact C-N 3.35Å; K411-Y413 HydrophobicContact CB-CD2 3.63Å; K411-Y413 HydrophobicContact CB-CE2 3.7Å; K411-Y413 HydrophobicContact CB-CG 4.1Å; K411-Y413 HydrophobicContact CD-CD2 4.29Å; K411-Y413 HydrophobicContact CD-CE2 4.09Å; K411-Y413 WeakPolarHBondContact O-CD1 3.38Å
414S74.8Confident81Confident54 Ų5451.7 Ų51.738%0.37827%0.265SS..  trans-97.7159.7174.579.50000111.5W30 P416W30-S414 VanDerWaalsContact CE2-OG 3.26Å; W30-S414 PolarHBondContact NE1-OG 3.3Å; S414-P416 WeakPolarHBondContact O-CD 3.35Å
415T81.6Confident80.9Confident1 Ų160 Ų601%0.00630%0.297CS..  trans-12862-173.953.40000112.8Y404 K405 Q408 L417 C418 D419Y404-T415 HydrophobicContact CD1-CG2 4.39Å; Y404-T415 HydrophobicContact CE1-CG2 3.9Å; K405-T415 HydrophobicContact CB-CG2 4.38Å; K405-T415 VanDerWaalsContact CD-OG1 3.23Å; K405-T415 WeakPolarHBondContact CD-OG1 3.27Å; K405-T415 WeakPolarHBondContact CE-OG1 3.43Å; K405-T415 HydrophobicContact CG-CG2 4.22Å; K405-T415 WeakPolarHBondContact CG-OG1 3.28Å; Q408-T415 HydrophobicContact CB-CG2 3.7Å; Q408-T415 HydrophobicContact CG-CG2 3.79Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 3.41Å; T415-L417 VanDerWaalsContact O-N 3.15Å; T415-C418 WeakPolarHBondContact O-CB 3.12Å; T415-C418 PolarHBondContact O-N 2.84Å; T415-D419 WeakPolarHBondContact O-CB 3.16Å; T415-D419 PolarHBondContact O-N 3.2Å; T415-D419 PolarHBondContact OG1-OD1 3.31Å
416P77Confident80.8Confident68 Ų6860.6 Ų60.644%0.44230%0.3SS..Hα-helixtrans-59.1-36.4-163.820.8-32.8000115S414 R420S414-P416 WeakPolarHBondContact O-CD 3.35Å; P416-R420 WeakPolarHBondContact O-CB 3.5Å; P416-R420 PolarHBondContact O-N 2.72Å
417L75.1Confident80.8Confident80 Ų8062.8 Ų62.842%0.41931%0.307SS..Hα-helixtrans-76.7-39.5177.3-72.8174.2000112Y22 T26 T415 D419 R420 I421Y22-L417 HydrophobicContact CD2-CD1 4.13Å; Y22-L417 HydrophobicContact CE2-CB 3.5Å; Y22-L417 VanDerWaalsContact CE2-CB 3.5Å; Y22-L417 HydrophobicContact CE2-CD1 3.47Å; Y22-L417 VanDerWaalsContact CE2-CD1 3.47Å; Y22-L417 HydrophobicContact CE2-CG 4.05Å; T26-L417 HydrophobicContact CG2-CD1 3.73Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 3.41Å; T415-L417 VanDerWaalsContact O-N 3.15Å; L417-D419 PolarHBondContact O-N 3.39Å; L417-R420 PolarHBondContact O-N 2.81Å; L417-I421 WeakPolarHBondContact O-CB 3.23Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 2.8Å
418C80.6Confident81Confident16 Ų1661.2 Ų61.211%0.10831%0.306CS..Hα-helixtrans-60.1-40.2172-165.80000110.7T415 R420 I421 V422 F423T415-C418 WeakPolarHBondContact O-CB 3.12Å; T415-C418 PolarHBondContact O-N 2.84Å; C418-R420 PolarHBondContact O-N 3.25Å; C418-I421 PolarHBondContact O-N 3.28Å; C418-V422 WeakPolarHBondContact O-CB 3.33Å; C418-V422 PolarHBondContact O-N 3.15Å; C418-F423 PolarHBondContact O-N 2.64Å
419D83.1Confident81.1Confident34 Ų3462.5 Ų62.518%0.18231%0.313CS..Iπ-helixtrans-62.3-44.8177.2-61.6-5.7000110.6K405 T415 L417 F423 N424 C457K405-D419 WeakPolarHBondContact CD-OD1 3.37Å; K405-D419 WeakPolarHBondContact CE-OD1 3.37Å; K405-D419 VanDerWaalsContact NZ-CG 3.33Å; K405-D419 IonicContact NZ-OD1 3.7Å; K405-D419 PolarHBondContact NZ-OD1 2.89Å; K405-D419 IonicContact NZ-OD2 3.3Å; T415-D419 WeakPolarHBondContact O-CB 3.16Å; T415-D419 PolarHBondContact O-N 3.2Å; T415-D419 PolarHBondContact OG1-OD1 3.31Å; L417-D419 PolarHBondContact O-N 3.39Å; D419-F423 CarbonylContact O-C 3.54Å; D419-F423 PolarHBondContact O-N 3.07Å; D419-N424 WeakPolarHBondContact O-CA 3.22Å; D419-N424 WeakPolarHBondContact O-CB 3.31Å; D419-N424 PolarHBondContact O-N 2.85Å; D419-C457 HydrophobicContact CB-CB 4.42Å
420R81.1Confident81.4Confident197 Ų19761.9 Ų61.974%0.74331%0.31SS*.Iπ-helixtrans-70.8-37.3-179.5-169.4172.1178.9149.4-0.9113.7P416 L417 C418 N424P416-R420 WeakPolarHBondContact O-CB 3.5Å; P416-R420 PolarHBondContact O-N 2.72Å; L417-R420 PolarHBondContact O-N 2.81Å; C418-R420 PolarHBondContact O-N 3.25Å; R420-N424 VanDerWaalsContact O-CB 3.28Å; R420-N424 WeakPolarHBondContact O-CB 3.48Å
421I80.2Confident81.9Confident127 Ų12759.2 Ų59.265%0.65129%0.293SS*.Iπ-helixtrans-88.6-46.9-172.8-63.5169.3000111.8L417 C418L417-I421 WeakPolarHBondContact O-CB 3.23Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 2.8Å; C418-I421 PolarHBondContact O-N 3.28Å
422V84.4Confident82.5Confident31 Ų3156 Ų5619%0.18828%0.282CS..Iπ-helixtrans-99.5-51.4-171.4-176.90000111.2F398 A401 C418F398-V422 HydrophobicContact CD2-CG1 4.05Å; A401-V422 HydrophobicContact CB-CB 4.32Å; A401-V422 HydrophobicContact CB-CG1 3.96Å; A401-V422 HydrophobicContact CB-CG2 4.01Å; C418-V422 WeakPolarHBondContact O-CB 3.33Å; C418-V422 PolarHBondContact O-N 3.15Å
423F86.8Confident83.5Confident0 Ų059.1 Ų59.10%030%0.296CS..Iπ-helixtrans-89.8-11.8-169-63.7-70.1000114.7F398 A401 K405 C418 D419 R425 V426 R427 V454 C455 C457F398-F423 HydrophobicContact CE2-CD1 4.3Å; F398-F423 AromaticContact CE2-CE1 3.84Å; F398-F423 HydrophobicContact CE2-CE1 3.84Å; F398-F423 HydrophobicContact CZ-CE1 4.17Å; A401-F423 HydrophobicContact CB-CE2 4.38Å; A401-F423 HydrophobicContact CB-CZ 4.39Å; K405-F423 HydrophobicContact CB-CE2 4.18Å; K405-F423 HydrophobicContact CD-CD2 3.79Å; K405-F423 HydrophobicContact CD-CE2 3.57Å; K405-F423 HydrophobicContact CD-CZ 4.32Å; C418-F423 PolarHBondContact O-N 2.64Å; D419-F423 CarbonylContact O-C 3.54Å; D419-F423 PolarHBondContact O-N 3.07Å; F423-R425 PolarHBondContact O-N 3.32Å; F423-R425 VanDerWaalsContact O-N 3.16Å; F423-V426 WeakPolarHBondContact O-CA 3.09Å; F423-V426 PolarHBondContact O-N 3.46Å; F423-R427 PolarHBondContact O-N 2.85Å; F423-V454 HydrophobicContact CE1-CG1 4.25Å; F423-V454 HydrophobicContact CZ-CG1 3.97Å; F423-C455 HydrophobicContact CD1-CB 4.35Å; F423-C457 WeakPolarHBondContact CB-SG 3.49Å
424N85.4Confident84.3Confident80 Ų8057 Ų5743%0.42829%0.288SS..Hα-helixtrans-57.4-35.4-178.8-17043.1000112.6D419 R420 V426 R427 S428D419-N424 WeakPolarHBondContact O-CA 3.22Å; D419-N424 WeakPolarHBondContact O-CB 3.31Å; D419-N424 PolarHBondContact O-N 2.85Å; R420-N424 VanDerWaalsContact O-CB 3.28Å; R420-N424 WeakPolarHBondContact O-CB 3.48Å; N424-V426 VanDerWaalsContact C-N 3.31Å; N424-V426 PolarHBondContact O-N 3.37Å; N424-R427 PolarHBondContact O-N 2.91Å; N424-S428 WeakPolarHBondContact O-CB 3.32Å; N424-S428 PolarHBondContact O-N 3.47Å; N424-S428 PolarHBondContact O-OG 2.94Å
425R83.9Confident85.2Confident201 Ų20157.4 Ų57.476%0.75828%0.281SS*.Hα-helixtrans-67.4-29.3174.7-67.5-177.4-179174.60.1113.5F423 S428F423-R425 PolarHBondContact O-N 3.32Å; F423-R425 VanDerWaalsContact O-N 3.16Å; R425-S428 PolarHBondContact O-OG 2.99Å
426V84Confident85.7Confident14 Ų1458.6 Ų58.69%0.08529%0.288CS..Hα-helixtrans-82.1-43.7176.7-175.80000109.5V383 F423 N424 S428 L429 C455 M456V383-V426 HydrophobicContact CG1-CG1 4.25Å; V383-V426 HydrophobicContact CG1-CG2 4.13Å; V383-V426 HydrophobicContact CG2-CG1 3.75Å; F423-V426 WeakPolarHBondContact O-CA 3.09Å; F423-V426 PolarHBondContact O-N 3.46Å; N424-V426 VanDerWaalsContact C-N 3.31Å; N424-V426 PolarHBondContact O-N 3.37Å; V426-S428 PolarHBondContact O-N 3.15Å; V426-L429 HydrophobicContact CG1-CD1 4.3Å; V426-L429 VanDerWaalsContact O-CB 3.22Å; V426-L429 WeakPolarHBondContact O-CB 3.32Å; V426-L429 VanDerWaalsContact O-CG 3.28Å; V426-L429 WeakPolarHBondContact O-CG 3.38Å; V426-L429 PolarHBondContact O-N 3.24Å; V426-C455 HydrophobicContact CG1-CB 3.88Å; V426-M456 HydrophobicContact CG1-CE 3.7Å; V426-M456 HydrophobicContact CG1-SD 4.4Å
427R88Confident86.5Confident74 Ų7455.4 Ų55.428%0.27927%0.267SS..Hα-helixtrans-57.6-34.5174.5-166.9-173.7-178.7-157.4-6112.5F423 N424 L429 L430 G432 M456F423-R427 PolarHBondContact O-N 2.85Å; N424-R427 PolarHBondContact O-N 2.91Å; R427-L429 PolarHBondContact O-N 3.12Å; R427-L430 PolarHBondContact O-N 3.27Å; R427-L430 VanDerWaalsContact O-N 3.15Å; R427-G432 PolarHBondContact NE-O 3.01Å; R427-G432 PolarHBondContact NH1-O 2.67Å; R427-G432 PolarHBondContact NH2-O 2.75Å; R427-G432 VanDerWaalsContact NH2-O 3.12Å; R427-G432 PolarHBondContact O-N 2.9Å; R427-G432 VanDerWaalsContact O-N 3.09Å; R427-M456 WeakPolarHBondContact CG-O 3.2Å
428S86.9Confident87.4Confident56 Ų5653.5 Ų53.539%0.39226%0.257SS..G310 helixtrans-64.7-17.9177.259.80000113.9N424 R425 V426 L430 G431N424-S428 WeakPolarHBondContact O-CB 3.32Å; N424-S428 PolarHBondContact O-N 3.47Å; N424-S428 PolarHBondContact O-OG 2.94Å; R425-S428 PolarHBondContact O-OG 2.99Å; V426-S428 PolarHBondContact O-N 3.15Å; S428-L430 PolarHBondContact O-N 3.36Å; S428-G431 PolarHBondContact O-N 2.64Å
429L85.6Confident88Confident51 Ų5152.8 Ų52.827%0.26725%0.253SS..G310 helixtrans-61.7-29.2173.5-62.7174.4000112.3T361 V383 V426 R427T361-L429 PolarHBondContact OG1-O 3.36Å; V383-L429 HydrophobicContact CG2-CD1 3.71Å; V426-L429 HydrophobicContact CG1-CD1 4.3Å; V426-L429 VanDerWaalsContact O-CB 3.22Å; V426-L429 WeakPolarHBondContact O-CB 3.32Å; V426-L429 VanDerWaalsContact O-CG 3.28Å; V426-L429 WeakPolarHBondContact O-CG 3.38Å; V426-L429 PolarHBondContact O-N 3.24Å; R427-L429 PolarHBondContact O-N 3.12Å
430L87.6Confident88.2Confident6 Ų651.3 Ų51.33%0.03125%0.245CC..G310 helixtrans-104.825.4174.5-55.9-179.3000111.7M369 I379 R427 S428 G432 T434 L437 M456M369-L430 HydrophobicContact CE-CD2 4.43Å; M369-L430 HydrophobicContact SD-CD1 4.48Å; M369-L430 HydrophobicContact SD-CD2 4.03Å; I379-L430 HydrophobicContact CD1-CD2 4.03Å; R427-L430 PolarHBondContact O-N 3.27Å; R427-L430 VanDerWaalsContact O-N 3.15Å; S428-L430 PolarHBondContact O-N 3.36Å; L430-G432 VanDerWaalsContact C-N 3.32Å; L430-G432 PolarHBondContact O-N 2.76Å; L430-T434 PolarHBondContact O-OG1 2.81Å; L430-T434 VanDerWaalsContact O-OG1 3.08Å; L430-L437 HydrophobicContact CD1-CD1 3.51Å; L430-M456 HydrophobicContact CD1-CG 4.04Å; L430-M456 HydrophobicContact CD1-SD 3.58Å; L430-M456 VanDerWaalsContact CD1-SD 3.58Å; L430-M456 HydrophobicContact CG-SD 4.04Å
431G88.5Confident88.2Confident9 Ų943.4 Ų43.49%0.09323%0.225CC..THydrogen-bonded Turntrans83.2-1.1175.500000115.6T361 K365 S428 N433T361-G431 WeakPolarHBondContact O-CA 3.35Å; K365-G431 WeakPolarHBondContact CG-O 3.25Å; S428-G431 PolarHBondContact O-N 2.64Å; G431-N433 VanDerWaalsContact C-N 3.27Å; G431-N433 PolarHBondContact O-N 2.8Å
432G89.6Confident88.2Confident13 Ų1339.2 Ų39.213%0.13421%0.21CC..SBendtrans82.4-9.1170.200000115.8R427 L430R427-G432 PolarHBondContact NE-O 3.01Å; R427-G432 PolarHBondContact NH1-O 2.67Å; R427-G432 PolarHBondContact NH2-O 2.75Å; R427-G432 VanDerWaalsContact NH2-O 3.12Å; R427-G432 PolarHBondContact O-N 2.9Å; R427-G432 VanDerWaalsContact O-N 3.09Å; L430-G432 VanDerWaalsContact C-N 3.32Å; L430-G432 PolarHBondContact O-N 2.76Å
433N93.8Very high88Confident82 Ų8242 Ų4244%0.43923%0.228SC..  trans-114-4.4-175.5-76.5-4.9000114.2K365 P366 G431 R435K365-N433 HydrophobicContact CB-CB 4.27Å; K365-N433 WeakPolarHBondContact O-CB 3.44Å; P366-N433 CarbonylContact O-C 3.56Å; P366-N433 VanDerWaalsContact O-C 3.29Å; G431-N433 VanDerWaalsContact C-N 3.27Å; G431-N433 PolarHBondContact O-N 2.8Å; N433-R435 PolarHBondContact O-N 2.93Å
434T93.4Very high87.8Confident3 Ų342.3 Ų42.32%0.01823%0.23CC..  trans-56.7128-179-46.80000110.6P366 L430P366-T434 VanDerWaalsContact O-CA 3.22Å; P366-T434 WeakPolarHBondContact O-CA 3.35Å; P366-T434 PolarHBondContact O-N 3.17Å; P366-T434 PolarHBondContact O-OG1 3.42Å; L430-T434 PolarHBondContact O-OG1 2.81Å; L430-T434 VanDerWaalsContact O-OG1 3.08Å
435R92.8Very high87.7Confident63 Ų6339.2 Ų39.224%0.23821%0.214CC..  trans-115-23.6178.270.7174.7-170.699-6.4112.9P305 N306 D311 T367 L368 N433 P459P305-R435 PolarHBondContact O-NH1 2.86Å; P305-R435 PolarHBondContact O-NH2 3.5Å; N306-R435 PolarHBondContact O-NH2 3.3Å; D311-R435 VanDerWaalsContact CG-NH2 3.31Å; D311-R435 IonicContact OD1-CZ 2.62Å; D311-R435 IonicContact OD1-NE 3.53Å; D311-R435 PolarHBondContact OD1-NE 2.75Å; D311-R435 IonicContact OD1-NH2 2.77Å; D311-R435 PolarHBondContact OD1-NH2 2.76Å; D311-R435 IonicContact OD2-CZ 3.68Å; D311-R435 IonicContact OD2-NE 3.08Å; D311-R435 IonicContact OD2-NH2 3.57Å; D311-R435 PolarHBondContact OD2-NH2 3.02Å; T367-R435 WeakPolarHBondContact O-CG 3.43Å; T367-R435 PolarHBondContact O-N 3.49Å; L368-R435 HydrophobicContact CD2-CG 4.25Å; N433-R435 PolarHBondContact O-N 2.93Å; R435-P459 WeakPolarHBondContact O-CD 3.49Å
436V92.9Very high87.8Confident25 Ų2531.7 Ų31.715%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-139.5132.1175176.60000109.4T367 L368 M369 M478T367-V436 PolarHBondContact O-N 3.47Å; L368-V436 HydrophobicContact CD2-CB 3.85Å; L368-V436 HydrophobicContact CD2-CG2 4.24Å; M369-V436 PolarHBondContact N-O 3.15Å; V436-M478 HydrophobicContact CG2-CE 3.17Å
437L93.8Very high87.7Confident2 Ų232.4 Ų32.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-127.8121.3173.6-157.6157000109.2M369 M376 L430 M452 P459 V460 G461M369-L437 HydrophobicContact CB-CG 4.48Å; M369-L437 WeakPolarHBondContact O-CA 3.25Å; M369-L437 HydrophobicContact SD-CD1 4.48Å; M376-L437 HydrophobicContact CE-CD2 3.1Å; M376-L437 HydrophobicContact SD-CD2 4.13Å; L430-L437 HydrophobicContact CD1-CD1 3.51Å; L437-M452 HydrophobicContact CD1-CE 4.32Å; L437-P459 PolarHBondContact N-O 3.47Å; L437-P459 VanDerWaalsContact N-O 3.12Å; L437-V460 HydrophobicContact CB-CG2 4.09Å; L437-V460 HydrophobicContact CD2-CG1 4.02Å; L437-V460 WeakPolarHBondContact O-CA 3.36Å; L437-G461 PolarHBondContact O-N 2.84Å; L437-G461 VanDerWaalsContact O-N 3.11Å
438L93.9Very high87.5Confident40 Ų4028.9 Ų28.921%0.20919%0.189CC..EExtended strand (participates in β ladder)trans-106.3123.7179.8-178.165.7000110M369 A370 S371 I475M369-L438 PolarHBondContact O-N 2.92Å; A370-L438 CarbonylContact C-O 3.28Å; S371-L438 PolarHBondContact N-O 3.43Å; L438-I475 HydrophobicContact CD1-CG2 3.95Å; L438-I475 HydrophobicContact CD2-CD1 4.31Å
439S91.5Very high87.6Confident1 Ų126.2 Ų26.21%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-90.6129167.4-162.80000110.4S371 M376 G461 Q462 G463S371-S439 CarbonylContact O-C 3.58Å; S371-S439 WeakPolarHBondContact O-CA 3.4Å; M376-S439 WeakPolarHBondContact CE-OG 3.48Å; S439-G461 PolarHBondContact N-O 2.75Å; S439-Q462 CarbonylContact O-C 3.55Å; S439-Q462 WeakPolarHBondContact O-CA 3.44Å; S439-G463 PolarHBondContact O-N 2.8Å
440G88.6Confident87.8Confident3 Ų326.5 Ų26.53%0.03117%0.168CC..  trans-147.7176175.300000113S371 A442S371-G440 PolarHBondContact O-N 3.48Å; G440-A442 PolarHBondContact O-N 2.92Å; G440-A442 VanDerWaalsContact O-N 3.15Å
441G81Confident87.8Confident31 Ų3126.3 Ų26.332%0.3217%0.167SC..SBendtrans83.5-30.7175.300000115.2K688G441-K688 WeakPolarHBondContact O-CD 3.12Å; G441-K688 WeakPolarHBondContact O-CE 3.4Å; G441-K688 PolarHBondContact O-NZ 3.08Å
442A80.6Confident87.9Confident39 Ų3925.9 Ų25.932%0.32216%0.163SC..SBendtrans-148.5163.6174.500000111.1P373 G440 L444P373-A442 HydrophobicContact CG-CB 3.86Å; P373-A442 WeakPolarHBondContact CG-O 3.23Å; G440-A442 PolarHBondContact O-N 2.92Å; G440-A442 VanDerWaalsContact O-N 3.15Å; A442-L444 PolarHBondContact O-N 3.5Å
443P79.2Confident87.9Confident88 Ų8825.5 Ų25.557%0.57116%0.158SC*.  trans-61.5132.1176.4-22.434000112P373P373-P443 WeakPolarHBondContact CG-O 3.34Å
444L83.6Confident87.6Confident8 Ų821.6 Ų21.64%0.04214%0.137CC..  trans-105.2131171.5179.669.1000110.1P373 M376 A442 T448 Q449 Q462P373-L444 HydrophobicContact CB-CB 4.4Å; P373-L444 HydrophobicContact CB-CD1 3.95Å; P373-L444 HydrophobicContact CG-CB 4.16Å; M376-L444 HydrophobicContact CB-CD1 4.18Å; M376-L444 HydrophobicContact CE-CD2 4.45Å; M376-L444 HydrophobicContact SD-CD1 4.07Å; M376-L444 HydrophobicContact SD-CD2 3.54Å; M376-L444 VanDerWaalsContact SD-CD2 3.54Å; M376-L444 HydrophobicContact SD-CG 4.48Å; A442-L444 PolarHBondContact O-N 3.5Å; L444-T448 HydrophobicContact CD1-CG2 3.73Å; L444-Q449 HydrophobicContact CD2-CB 3.64Å; L444-Q449 HydrophobicContact CD2-CG 3.95Å; L444-Q449 HydrophobicContact CG-CB 4.16Å; L444-Q462 HydrophobicContact CB-CG 4.33Å; L444-Q462 HydrophobicContact CD2-CG 4.37Å; L444-Q462 PolarHBondContact O-NE2 3.11Å; L444-Q462 VanDerWaalsContact O-NE2 3.11Å
445S82.5Confident87.4Confident15 Ų1521.5 Ų21.511%0.10514%0.136CC..  trans-61.1142.9178.391.90000111.1A447 T448 Q449 A588 N592S445-A447 PolarHBondContact O-N 3.46Å; S445-T448 PolarHBondContact O-N 3.11Å; S445-T448 WeakPolarHBondContact OG-CB 3.38Å; S445-T448 PolarHBondContact OG-N 3.1Å; S445-T448 PolarHBondContact OG-OG1 2.88Å; S445-Q449 PolarHBondContact O-N 3.11Å; S445-A588 WeakPolarHBondContact CB-O 3.49Å; S445-N592 PolarHBondContact OG-ND2 3.27Å; S445-N592 PolarHBondContact OG-OD1 3.44Å; S445-N592 VanDerWaalsContact OG-OD1 3.12Å
446A85.1Confident87.1Confident43 Ų4318.6 Ų18.636%0.35513%0.125SC..Hα-helixtrans-61-29.7177.500000112.1R450A446-R450 VanDerWaalsContact O-CB 3.29Å; A446-R450 WeakPolarHBondContact O-CB 3.17Å; A446-R450 PolarHBondContact O-N 3.11Å
447A82.4Confident86.7Confident29 Ų2918.8 Ų18.824%0.2413%0.127CC..Hα-helixtrans-68.2-51176.700000111.6S445 R450 F451S445-A447 PolarHBondContact O-N 3.46Å; A447-R450 PolarHBondContact O-N 3.29Å; A447-F451 WeakPolarHBondContact O-CB 3.33Å; A447-F451 PolarHBondContact O-N 3.37Å
448T84.6Confident86.4Confident0 Ų018.8 Ų18.80%013%0.128CC..Hα-helixtrans-62.1-46177-560000110.6M376 D377 L444 S445 R450 F451 M452 N592M376-T448 HydrophobicContact CB-CG2 3.94Å; D377-T448 WeakPolarHBondContact OD1-CB 3.5Å; D377-T448 VanDerWaalsContact OD1-CG2 3.26Å; D377-T448 WeakPolarHBondContact OD1-CG2 3.49Å; D377-T448 PolarHBondContact OD1-OG1 2.92Å; L444-T448 HydrophobicContact CD1-CG2 3.73Å; S445-T448 PolarHBondContact O-N 3.11Å; S445-T448 WeakPolarHBondContact OG-CB 3.38Å; S445-T448 PolarHBondContact OG-N 3.1Å; S445-T448 PolarHBondContact OG-OG1 2.88Å; T448-R450 VanDerWaalsContact C-N 3.31Å; T448-R450 PolarHBondContact O-N 2.79Å; T448-F451 WeakPolarHBondContact O-CB 3.4Å; T448-F451 PolarHBondContact O-N 3.18Å; T448-F451 VanDerWaalsContact O-N 3.16Å; T448-M452 HydrophobicContact CG2-CG 4.16Å; T448-M452 VanDerWaalsContact O-CG 3.28Å; T448-M452 WeakPolarHBondContact O-CG 3.37Å; T448-M452 PolarHBondContact O-N 2.89Å; T448-N592 PolarHBondContact OG1-OD1 3.47Å; T448-N592 VanDerWaalsContact OG1-OD1 3.14Å
449Q88.9Confident86Confident0 Ų018 Ų180%013%0.125CC..Hα-helixtrans-59-43.1178.2-168-173-3.100111.9L444 S445 M452 N453 V460 T483 G484L444-Q449 HydrophobicContact CD2-CB 3.64Å; L444-Q449 HydrophobicContact CD2-CG 3.95Å; L444-Q449 HydrophobicContact CG-CB 4.16Å; S445-Q449 PolarHBondContact O-N 3.11Å; Q449-M452 PolarHBondContact O-N 3.4Å; Q449-N453 PolarHBondContact O-N 3.18Å; Q449-N453 PolarHBondContact O-ND2 3.47Å; Q449-V460 HydrophobicContact CG-CG1 4.47Å; Q449-V460 PolarHBondContact NE2-O 3.13Å; Q449-T483 HydrophobicContact CB-CG2 4.04Å; Q449-T483 HydrophobicContact CG-CG2 4.06Å; Q449-T483 VanDerWaalsContact OE1-CA 3.29Å; Q449-G484 VanDerWaalsContact OE1-N 3.15Å
450R88.6Confident86Confident57 Ų5718.1 Ų18.122%0.21513%0.125CC..Hα-helixtrans-62-46.2176.7-170.467.656.7156-2.1110.9M406 A446 A447 T448 M452 N453 V454 T483M406-R450 HydrophobicContact CG-CG 4.23Å; M406-R450 HydrophobicContact SD-CG 4.17Å; A446-R450 VanDerWaalsContact O-CB 3.29Å; A446-R450 WeakPolarHBondContact O-CB 3.17Å; A446-R450 PolarHBondContact O-N 3.11Å; A447-R450 PolarHBondContact O-N 3.29Å; T448-R450 VanDerWaalsContact C-N 3.31Å; T448-R450 PolarHBondContact O-N 2.79Å; R450-M452 VanDerWaalsContact C-N 3.34Å; R450-M452 PolarHBondContact O-N 3.24Å; R450-N453 PolarHBondContact O-N 2.82Å; R450-V454 WeakPolarHBondContact O-CG2 3.42Å; R450-V454 PolarHBondContact O-N 2.88Å; R450-V454 VanDerWaalsContact O-N 3.12Å; R450-T483 HydrophobicContact CB-CG2 4.14Å; R450-T483 PolarHBondContact NH2-OG1 3.07Å
451F89Confident86.1Confident1 Ų118.6 Ų18.60%0.00413%0.13CC..Hα-helixtrans-58.5-47.7178.6175-94.2000111.6Y380 V383 M384 Y402 A447 T448 N453 V454 C455Y380-F451 HydrophobicContact CD2-CB 3.7Å; Y380-F451 AromaticContact CD2-CD1 3.33Å; Y380-F451 HydrophobicContact CD2-CD1 3.33Å; Y380-F451 AromaticContact CD2-CD2 3.88Å; Y380-F451 HydrophobicContact CD2-CD2 3.88Å; Y380-F451 AromaticContact CD2-CE1 3.84Å; Y380-F451 HydrophobicContact CD2-CE1 3.84Å; Y380-F451 HydrophobicContact CD2-CE2 4.38Å; Y380-F451 AromaticContact CD2-CG 3.32Å; Y380-F451 HydrophobicContact CD2-CG 3.32Å; Y380-F451 HydrophobicContact CD2-CZ 4.33Å; Y380-F451 HydrophobicContact CE2-CB 3.85Å; Y380-F451 HydrophobicContact CE2-CD1 4.1Å; Y380-F451 AromaticContact CE2-CD2 3.79Å; Y380-F451 HydrophobicContact CE2-CD2 3.79Å; Y380-F451 HydrophobicContact CE2-CE2 4.41Å; Y380-F451 AromaticContact CE2-CG 3.62Å; Y380-F451 HydrophobicContact CE2-CG 3.62Å; Y380-F451 HydrophobicContact CG-CD1 4.18Å; Y380-F451 HydrophobicContact CG-CE1 4.39Å; V383-F451 HydrophobicContact CB-CE1 4.41Å; V383-F451 HydrophobicContact CB-CZ 3.94Å; V383-F451 HydrophobicContact CG1-CZ 3.75Å; M384-F451 HydrophobicContact CE-CD2 3.54Å; M384-F451 HydrophobicContact CE-CE2 3.04Å; M384-F451 HydrophobicContact CE-CZ 3.78Å; Y402-F451 HydrophobicContact CD2-CD2 4.36Å; Y402-F451 AromaticContact CE2-CD2 3.54Å; Y402-F451 HydrophobicContact CE2-CD2 3.54Å; Y402-F451 HydrophobicContact CE2-CE2 4.11Å; Y402-F451 HydrophobicContact CE2-CG 4.41Å; Y402-F451 WeakPolarHBondContact OH-CA 3.41Å; A447-F451 WeakPolarHBondContact O-CB 3.33Å; A447-F451 PolarHBondContact O-N 3.37Å; T448-F451 WeakPolarHBondContact O-CB 3.4Å; T448-F451 PolarHBondContact O-N 3.18Å; T448-F451 VanDerWaalsContact O-N 3.16Å; F451-N453 PolarHBondContact O-N 2.86Å; F451-V454 PolarHBondContact O-N 3.27Å; F451-V454 VanDerWaalsContact O-N 3.17Å; F451-C455 HydrophobicContact CD1-CB 4.5Å; F451-C455 HydrophobicContact CE1-CB 4.07Å; F451-C455 HydrophobicContact CE2-CB 4.29Å; F451-C455 WeakPolarHBondContact CE2-SG 3.31Å; F451-C455 HydrophobicContact CZ-CB 3.97Å; F451-C455 WeakPolarHBondContact CZ-SG 3.35Å; F451-C455 WeakPolarHBondContact O-CB 3.32Å; F451-C455 PolarHBondContact O-N 3.12Å
452M90.1Very high86.7Confident0 Ų017.6 Ų17.60%012%0.117CC..Hα-helixtrans-62.7-43.9-179.7-67.5-64.1-74.900111.8M376 I379 L437 T448 Q449 R450 V454 C455 M456 V460M376-M452 HydrophobicContact CB-CE 4.3Å; M376-M452 HydrophobicContact CB-CG 4.27Å; M376-M452 HydrophobicContact CB-SD 4.5Å; M376-M452 HydrophobicContact CG-CE 4.16Å; M376-M452 HydrophobicContact SD-CE 4.48Å; M376-M452 HydrophobicContact SD-CG 4.25Å; I379-M452 HydrophobicContact CB-CE 4.46Å; I379-M452 HydrophobicContact CB-SD 4.4Å; I379-M452 HydrophobicContact CD1-CE 4.06Å; I379-M452 HydrophobicContact CG2-CE 4.28Å; I379-M452 HydrophobicContact CG2-SD 4.11Å; L437-M452 HydrophobicContact CD1-CE 4.32Å; T448-M452 HydrophobicContact CG2-CG 4.16Å; T448-M452 VanDerWaalsContact O-CG 3.28Å; T448-M452 WeakPolarHBondContact O-CG 3.37Å; T448-M452 PolarHBondContact O-N 2.89Å; Q449-M452 PolarHBondContact O-N 3.4Å; R450-M452 VanDerWaalsContact C-N 3.34Å; R450-M452 PolarHBondContact O-N 3.24Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 PolarHBondContact O-N 3.02Å; M452-C455 PolarHBondContact O-N 3.12Å; M452-M456 HydrophobicContact CE-CE 3.98Å; M452-M456 HydrophobicContact CE-CG 3.81Å; M452-M456 HydrophobicContact CE-SD 4.46Å; M452-M456 VanDerWaalsContact O-CB 3.28Å; M452-M456 WeakPolarHBondContact O-CB 3.2Å; M452-M456 WeakPolarHBondContact O-CG 3.43Å; M452-M456 PolarHBondContact O-N 2.85Å; M452-M456 HydrophobicContact SD-CE 3.89Å; M452-M456 HydrophobicContact SD-CG 4.27Å; M452-V460 HydrophobicContact CB-CB 4.26Å; M452-V460 HydrophobicContact CB-CG1 4.1Å; M452-V460 HydrophobicContact CB-CG2 3.87Å
453N89.4Confident87.3Confident6 Ų616.5 Ų16.53%0.03211%0.11CC..Hα-helixtrans-55.2-42.2173.2-85.3-66.8000112.6Q449 R450 F451 V460 Y481Q449-N453 PolarHBondContact O-N 3.18Å; Q449-N453 PolarHBondContact O-ND2 3.47Å; R450-N453 PolarHBondContact O-N 2.82Å; F451-N453 PolarHBondContact O-N 2.86Å; N453-V460 PolarHBondContact ND2-O 2.68Å; N453-V460 PolarHBondContact OD1-N 2.89Å; N453-Y481 HydrophobicContact CB-CD1 4.36Å
454V88.3Confident88.1Confident0 Ų013.4 Ų13.40%09%0.087CC..Hα-helixtrans-73-50.2-179.6176.10000111Y402 K405 M406 L409 F423 R450 F451 M452Y402-V454 HydrophobicContact CD2-CB 4.05Å; Y402-V454 HydrophobicContact CD2-CG1 3.41Å; Y402-V454 VanDerWaalsContact CD2-CG1 3.41Å; Y402-V454 HydrophobicContact CE2-CB 3.69Å; Y402-V454 HydrophobicContact CE2-CG1 3.6Å; Y402-V454 HydrophobicContact CE2-CG2 4.12Å; Y402-V454 HydrophobicContact CG-CG1 4.1Å; K405-V454 HydrophobicContact CB-CG1 4.06Å; K405-V454 HydrophobicContact CD-CG1 3.88Å; K405-V454 WeakPolarHBondContact CD-O 3.38Å; K405-V454 WeakPolarHBondContact CE-O 3.44Å; K405-V454 HydrophobicContact CG-CG1 3.96Å; K405-V454 PolarHBondContact NZ-O 2.99Å; M406-V454 HydrophobicContact CB-CG2 4.01Å; M406-V454 HydrophobicContact CG-CG2 4.39Å; L409-V454 HydrophobicContact CD1-CG2 3.99Å; F423-V454 HydrophobicContact CE1-CG1 4.25Å; F423-V454 HydrophobicContact CZ-CG1 3.97Å; R450-V454 WeakPolarHBondContact O-CG2 3.42Å; R450-V454 PolarHBondContact O-N 2.88Å; R450-V454 VanDerWaalsContact O-N 3.12Å; F451-V454 PolarHBondContact O-N 3.27Å; F451-V454 VanDerWaalsContact O-N 3.17Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 PolarHBondContact O-N 3.02Å
455C88.2Confident88.6Confident0 Ų014.3 Ų14.30%010%0.098CC..Hα-helixtrans-81.6-34.1-169.3-77.20000114.4F423 V426 F451 M452 C457F423-C455 HydrophobicContact CD1-CB 4.35Å; V426-C455 HydrophobicContact CG1-CB 3.88Å; F451-C455 HydrophobicContact CD1-CB 4.5Å; F451-C455 HydrophobicContact CE1-CB 4.07Å; F451-C455 HydrophobicContact CE2-CB 4.29Å; F451-C455 WeakPolarHBondContact CE2-SG 3.31Å; F451-C455 HydrophobicContact CZ-CB 3.97Å; F451-C455 WeakPolarHBondContact CZ-SG 3.35Å; F451-C455 WeakPolarHBondContact O-CB 3.32Å; F451-C455 PolarHBondContact O-N 3.12Å; M452-C455 PolarHBondContact O-N 3.12Å; C455-C457 VanDerWaalsContact C-N 3.27Å; C455-C457 PolarHBondContact O-N 3.17Å
456M87.6Confident89.2Confident2 Ų214.8 Ų14.81%0.0110%0.099CC..SBendtrans-81.1-9.9178.8-59.2-56.3147.600112.9I379 V426 R427 L430 M452 C458I379-M456 HydrophobicContact CG2-CE 3.34Å; V426-M456 HydrophobicContact CG1-CE 3.7Å; V426-M456 HydrophobicContact CG1-SD 4.4Å; R427-M456 WeakPolarHBondContact CG-O 3.2Å; L430-M456 HydrophobicContact CD1-CG 4.04Å; L430-M456 HydrophobicContact CD1-SD 3.58Å; L430-M456 VanDerWaalsContact CD1-SD 3.58Å; L430-M456 HydrophobicContact CG-SD 4.04Å; M452-M456 HydrophobicContact CE-CE 3.98Å; M452-M456 HydrophobicContact CE-CG 3.81Å; M452-M456 HydrophobicContact CE-SD 4.46Å; M452-M456 VanDerWaalsContact O-CB 3.28Å; M452-M456 WeakPolarHBondContact O-CB 3.2Å; M452-M456 WeakPolarHBondContact O-CG 3.43Å; M452-M456 PolarHBondContact O-N 2.85Å; M452-M456 HydrophobicContact SD-CE 3.89Å; M452-M456 HydrophobicContact SD-CG 4.27Å; M456-C458 PolarHBondContact O-N 2.84Å
457C84.7Confident89.6Confident29 Ų2913.4 Ų13.420%0.1969%0.086CC..SBendtrans56.728-179.1-44.30000113.1K405 D419 F423 C455K405-C457 PolarHBondContact NZ-SG 2.95Å; D419-C457 HydrophobicContact CB-CB 4.42Å; F423-C457 WeakPolarHBondContact CB-SG 3.49Å; C455-C457 VanDerWaalsContact C-N 3.27Å; C455-C457 PolarHBondContact O-N 3.17Å
458C86.1Confident90.3Very high3 Ų312.6 Ų12.62%0.028%0.078CC..SBendtrans-139.6153.4175.8670000110M456 V460M456-C458 PolarHBondContact O-N 2.84Å; C458-V460 WeakPolarHBondContact O-CG2 3.2Å; C458-V460 PolarHBondContact O-N 3.19Å
459P86.9Confident90.9Very high23 Ų2312.6 Ų12.615%0.1498%0.078CC..  trans-54.6124.7168.9-28.536.9000111.9R435 L437 M478R435-P459 WeakPolarHBondContact O-CD 3.49Å; L437-P459 PolarHBondContact N-O 3.47Å; L437-P459 VanDerWaalsContact N-O 3.12Å; P459-M478 HydrophobicContact CB-CG 3.92Å; P459-M478 WeakPolarHBondContact CB-O 3.24Å; P459-M478 HydrophobicContact CG-CG 3.58Å
460V91.2Very high91.3Very high3 Ų312.6 Ų12.62%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-115.499.9173.6-174.20000108.5M376 L437 Q449 M452 N453 C458M376-V460 HydrophobicContact CE-CG1 4.22Å; M376-V460 HydrophobicContact SD-CG1 4.06Å; L437-V460 HydrophobicContact CB-CG2 4.09Å; L437-V460 HydrophobicContact CD2-CG1 4.02Å; L437-V460 WeakPolarHBondContact O-CA 3.36Å; Q449-V460 HydrophobicContact CG-CG1 4.47Å; Q449-V460 PolarHBondContact NE2-O 3.13Å; M452-V460 HydrophobicContact CB-CB 4.26Å; M452-V460 HydrophobicContact CB-CG1 4.1Å; M452-V460 HydrophobicContact CB-CG2 3.87Å; N453-V460 PolarHBondContact ND2-O 2.68Å; N453-V460 PolarHBondContact OD1-N 2.89Å; C458-V460 WeakPolarHBondContact O-CG2 3.2Å; C458-V460 PolarHBondContact O-N 3.19Å
461G90.8Very high91.5Very high13 Ų1310.7 Ų10.713%0.1348%0.075CC..EExtended strand (participates in β ladder)trans-97.7156.1-179.900000111.8L437 S439L437-G461 PolarHBondContact O-N 2.84Å; L437-G461 VanDerWaalsContact O-N 3.11Å; S439-G461 PolarHBondContact N-O 2.75Å
462Q92.6Very high91.8Very high11 Ų1110.6 Ų10.65%0.0518%0.075CC..EExtended strand (participates in β ladder)trans-100.5144.9165.3-56.7-167.35000109.8S439 L444 S476 V486S439-Q462 CarbonylContact O-C 3.55Å; S439-Q462 WeakPolarHBondContact O-CA 3.44Å; L444-Q462 HydrophobicContact CB-CG 4.33Å; L444-Q462 HydrophobicContact CD2-CG 4.37Å; L444-Q462 PolarHBondContact O-NE2 3.11Å; L444-Q462 VanDerWaalsContact O-NE2 3.11Å; Q462-S476 PolarHBondContact N-OG 3.41Å; Q462-S476 VanDerWaalsContact N-OG 3.15Å; Q462-S476 WeakPolarHBondContact O-CB 2.9Å; Q462-S476 PolarHBondContact O-N 2.82Å; Q462-S476 PolarHBondContact O-OG 3.32Å; Q462-V486 HydrophobicContact CB-CG1 4.16Å
463G93.6Very high92.1Very high16 Ų1610.6 Ų10.617%0.1658%0.075CC..EExtended strand (participates in β ladder)trans-121.8144.317000000111S439 T474S439-G463 PolarHBondContact O-N 2.8Å; G463-T474 CarbonylContact C-O 3.53Å; G463-T474 VanDerWaalsContact CA-O 3.26Å; G463-T474 WeakPolarHBondContact CA-O 3.43Å
464Y95.6Very high92.4Very high23 Ų2310.3 Ų10.39%0.097%0.074CC..EExtended strand (participates in β ladder)trans-122.9133.2175.9169.2-105.8000110.1L466 G473 T474 V486 I517 I519 T551 D553 L563 I565Y464-L466 HydrophobicContact CE1-CD1 4.4Å; Y464-L466 HydrophobicContact CE2-CD1 4.07Å; Y464-L466 WeakPolarHBondContact OH-CD1 3.36Å; Y464-G473 CarbonylContact O-C 3.52Å; Y464-G473 VanDerWaalsContact O-CA 3.24Å; Y464-G473 WeakPolarHBondContact O-CA 3.49Å; Y464-G473 PolarHBondContact O-N 3.45Å; Y464-T474 PolarHBondContact N-O 3.1Å; Y464-T474 PolarHBondContact O-N 2.89Å; Y464-V486 HydrophobicContact CG-CG2 4.43Å; Y464-I517 HydrophobicContact CE1-CD1 4.17Å; Y464-I517 HydrophobicContact CE1-CG2 4.1Å; Y464-I519 HydrophobicContact CE1-CD1 3.93Å; Y464-T551 WeakPolarHBondContact OH-CB 3.5Å; Y464-T551 WeakPolarHBondContact OH-CG2 3.49Å; Y464-T551 PolarHBondContact OH-OG1 2.95Å; Y464-D553 HydrophobicContact CE2-CB 4.47Å; Y464-D553 WeakPolarHBondContact CE2-OD2 3.42Å; Y464-D553 WeakPolarHBondContact OH-CB 3.25Å; Y464-D553 PolarHBondContact OH-OD2 2.84Å; Y464-D553 VanDerWaalsContact OH-OD2 3.05Å; Y464-L563 HydrophobicContact CD1-CD2 4.18Å; Y464-L563 HydrophobicContact CE1-CD2 4.38Å; Y464-I565 HydrophobicContact CD1-CD1 3.91Å; Y464-I565 HydrophobicContact CD2-CD1 3.72Å; Y464-I565 HydrophobicContact CD2-CG1 3.89Å; Y464-I565 HydrophobicContact CE1-CD1 3.97Å; Y464-I565 HydrophobicContact CE2-CD1 3.8Å; Y464-I565 HydrophobicContact CE2-CG1 4.26Å; Y464-I565 HydrophobicContact CG-CD1 3.76Å; Y464-I565 HydrophobicContact CG-CG1 4.17Å
465G94.3Very high92.8Very high26 Ų2611.2 Ų11.227%0.2688%0.078SC..  trans179.8156.3179.700000109.5
466L94.7Very high93Very high25 Ų2511.7 Ų11.713%0.1318%0.082CC..  trans-118.1170.2179.1-60.195.4000109.7Y464 E468 T469 C470 G471 F549 T551Y464-L466 HydrophobicContact CE1-CD1 4.4Å; Y464-L466 HydrophobicContact CE2-CD1 4.07Å; Y464-L466 WeakPolarHBondContact OH-CD1 3.36Å; L466-E468 WeakPolarHBondContact CB-OE2 3.28Å; L466-E468 PolarHBondContact O-N 3.39Å; L466-T469 PolarHBondContact N-OG1 3.19Å; L466-T469 VanDerWaalsContact N-OG1 3.16Å; L466-T469 CarbonylContact O-C 3.55Å; L466-T469 PolarHBondContact O-N 3.27Å; L466-T469 VanDerWaalsContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 2.79Å; L466-C470 PolarHBondContact O-N 2.99Å; L466-G471 PolarHBondContact O-N 3.48Å; L466-F549 HydrophobicContact CB-CE1 4.33Å; L466-F549 HydrophobicContact CD1-CE1 4.18Å; L466-F549 HydrophobicContact CD2-CE1 4.13Å; L466-F549 HydrophobicContact CG-CE1 4.44Å; L466-T551 HydrophobicContact CD1-CG2 3.83Å
467T94.9Very high93.1Very high14 Ų1412.4 Ų12.49%0.0869%0.085CC..G310 helixtrans-60.9-38.5175.2-53.90000109.9M274 T276 V286 I288 V322 T469 C470 T525M274-T467 HydrophobicContact CB-CG2 3.92Å; M274-T467 HydrophobicContact CG-CG2 3.83Å; M274-T467 HydrophobicContact SD-CG2 3.67Å; T276-T467 HydrophobicContact CG2-CG2 3.69Å; T276-T467 VanDerWaalsContact CG2-OG1 3.31Å; T276-T467 WeakPolarHBondContact CG2-OG1 3.48Å; V286-T467 HydrophobicContact CB-CG2 3.79Å; V286-T467 HydrophobicContact CG1-CG2 4.11Å; V286-T467 HydrophobicContact CG2-CG2 3.81Å; I288-T467 HydrophobicContact CD1-CG2 4.21Å; V322-T467 HydrophobicContact CB-CG2 4.39Å; T467-T469 PolarHBondContact O-N 2.8Å; T467-C470 PolarHBondContact O-N 3.17Å; T467-T525 WeakPolarHBondContact O-CG2 3.21Å
468E96.8Very high93Very high13 Ų1312.7 Ų12.76%0.0618%0.084CC..G310 helixtrans-61.2-12.8176.9-64.288.2164.200114K284 V286 L466 T525 Y528 F539 F549K284-E468 WeakPolarHBondContact CE-OE1 3.45Å; K284-E468 IonicContact NZ-OE1 3.28Å; K284-E468 PolarHBondContact NZ-OE1 3.05Å; V286-E468 HydrophobicContact CG1-CG 4.43Å; V286-E468 HydrophobicContact CG2-CG 4.25Å; L466-E468 WeakPolarHBondContact CB-OE2 3.28Å; L466-E468 PolarHBondContact O-N 3.39Å; E468-T525 VanDerWaalsContact C-CG2 3.48Å; E468-T525 WeakPolarHBondContact CA-OG1 3.34Å; E468-T525 WeakPolarHBondContact O-CB 3.5Å; E468-T525 VanDerWaalsContact O-CG2 3.22Å; E468-T525 WeakPolarHBondContact O-CG2 3.48Å; E468-T525 PolarHBondContact O-N 3.32Å; E468-T525 PolarHBondContact O-OG1 3.23Å; E468-Y528 HydrophobicContact CG-CE1 3.86Å; E468-Y528 WeakPolarHBondContact OE1-CE1 3.41Å; E468-Y528 PolarHBondContact OE1-OH 2.75Å; E468-F539 HydrophobicContact CB-CE1 4.32Å; E468-F539 HydrophobicContact CB-CZ 3.85Å; E468-F539 HydrophobicContact CG-CZ 3.85Å; E468-F549 HydrophobicContact CB-CD1 3.85Å; E468-F549 HydrophobicContact CB-CD2 3.96Å; E468-F549 HydrophobicContact CB-CE1 3.55Å; E468-F549 HydrophobicContact CB-CE2 3.67Å; E468-F549 HydrophobicContact CB-CG 4.04Å; E468-F549 HydrophobicContact CB-CZ 3.47Å; E468-F549 VanDerWaalsContact CB-CZ 3.47Å; E468-F549 HydrophobicContact CG-CD2 4.35Å; E468-F549 HydrophobicContact CG-CE1 4.14Å; E468-F549 HydrophobicContact CG-CE2 3.65Å; E468-F549 HydrophobicContact CG-CZ 3.53Å
469T97.3Very high92.8Very high0 Ų015.7 Ų15.70%010%0.095CC..G310 helixtrans-124.119.1177.173.90000113.4L466 T467 G471 A472 I519 N523 F549L466-T469 PolarHBondContact N-OG1 3.19Å; L466-T469 VanDerWaalsContact N-OG1 3.16Å; L466-T469 CarbonylContact O-C 3.55Å; L466-T469 PolarHBondContact O-N 3.27Å; L466-T469 VanDerWaalsContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 2.79Å; T467-T469 PolarHBondContact O-N 2.8Å; T469-G471 PolarHBondContact O-N 2.61Å; T469-A472 VanDerWaalsContact CB-O 3.31Å; T469-A472 WeakPolarHBondContact CB-O 3.43Å; T469-A472 WeakPolarHBondContact O-CB 3.39Å; T469-A472 PolarHBondContact O-N 3.15Å; T469-A472 PolarHBondContact OG1-O 3.29Å; T469-I519 HydrophobicContact CG2-CB 4.06Å; T469-I519 HydrophobicContact CG2-CD1 3.92Å; T469-I519 HydrophobicContact CG2-CG2 4.03Å; T469-N523 CarbonylContact C-O 3.52Å; T469-N523 VanDerWaalsContact C-O 3.28Å; T469-N523 WeakPolarHBondContact CA-O 3.47Å; T469-N523 PolarHBondContact O-ND2 2.96Å; T469-F549 HydrophobicContact CG2-CD1 3.74Å; T469-F549 HydrophobicContact CG2-CE1 4.47Å; T469-F549 HydrophobicContact CG2-CG 4.48Å
470C97Very high92.7Very high0 Ų015.2 Ų15.20%09%0.091CC..THydrogen-bonded Turntrans60.624.7-176.9-550000114.7I288 N292 L293 S326 L466 T467 A472 N523I288-C470 WeakPolarHBondContact CG2-SG 3.35Å; N292-C470 WeakPolarHBondContact CB-SG 3.31Å; L293-C470 HydrophobicContact CD2-CB 4.26Å; S326-C470 PolarHBondContact OG-O 3.25Å; L466-C470 PolarHBondContact O-N 2.99Å; T467-C470 PolarHBondContact O-N 3.17Å; C470-A472 PolarHBondContact O-N 3.14Å; C470-N523 PolarHBondContact SG-O 3.33Å
471G93.6Very high92.3Very high16 Ų1617.9 Ų17.917%0.16510%0.101CC..THydrogen-bonded Turntrans71.52.1-171.700000113.8L466 T469L466-G471 PolarHBondContact O-N 3.48Å; T469-G471 PolarHBondContact O-N 2.61Å
472A93.6Very high92.1Very high0 Ų019.6 Ų19.60%011%0.111CC..  trans-98117.4-179.800000110.3M300 T469 C470 L490 N523M300-A472 HydrophobicContact CE-CB 4.19Å; T469-A472 VanDerWaalsContact CB-O 3.31Å; T469-A472 WeakPolarHBondContact CB-O 3.43Å; T469-A472 WeakPolarHBondContact O-CB 3.39Å; T469-A472 PolarHBondContact O-N 3.15Å; T469-A472 PolarHBondContact OG1-O 3.29Å; C470-A472 PolarHBondContact O-N 3.14Å; A472-L490 HydrophobicContact CB-CD1 3.72Å; A472-N523 HydrophobicContact CB-CB 4.19Å; A472-N523 PolarHBondContact O-ND2 3.3Å
473G96.5Very high91.9Very high0 Ų020.5 Ų20.50%012%0.117CC..SBendtrans-150.7-72.4172.900000109.8Y464 P489 L490 S493Y464-G473 CarbonylContact O-C 3.52Å; Y464-G473 VanDerWaalsContact O-CA 3.24Å; Y464-G473 WeakPolarHBondContact O-CA 3.49Å; Y464-G473 PolarHBondContact O-N 3.45Å; G473-P489 CarbonylContact O-C 3.22Å; G473-P489 WeakPolarHBondContact O-CA 3.39Å; G473-L490 PolarHBondContact O-N 3.12Å; G473-S493 PolarHBondContact O-OG 3.07Å; G473-S493 VanDerWaalsContact O-OG 3.09Å
474T97.1Very high91.5Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-134.7149.4172.870.60000110.8G463 Y464 V486 A488 I495 L563G463-T474 CarbonylContact C-O 3.53Å; G463-T474 VanDerWaalsContact CA-O 3.26Å; G463-T474 WeakPolarHBondContact CA-O 3.43Å; Y464-T474 PolarHBondContact N-O 3.1Å; Y464-T474 PolarHBondContact O-N 2.89Å; T474-V486 CarbonylContact C-O 3.54Å; T474-V486 WeakPolarHBondContact CB-O 3.27Å; T474-V486 WeakPolarHBondContact OG1-CB 3.31Å; T474-V486 VanDerWaalsContact OG1-CG2 3.25Å; T474-V486 WeakPolarHBondContact OG1-CG2 3.49Å; T474-V486 PolarHBondContact OG1-O 3.22Å; T474-A488 VanDerWaalsContact CA-O 3.24Å; T474-A488 WeakPolarHBondContact CA-O 3.43Å; T474-A488 VanDerWaalsContact CB-O 3.25Å; T474-A488 WeakPolarHBondContact CB-O 2.95Å; T474-I495 HydrophobicContact CG2-CD1 3.45Å; T474-I495 VanDerWaalsContact CG2-CD1 3.45Å; T474-L563 HydrophobicContact CG2-CB 4.1Å; T474-L563 HydrophobicContact CG2-CD2 3.89Å
475I95.6Very high91.4Very high18 Ų1821 Ų219%0.09212%0.121CC..EExtended strand (participates in β ladder)trans-138.4137.7168.8-65.8179.2000108.4M300 R303 L438 V486 A488 L490M300-I475 HydrophobicContact CB-CD1 4.33Å; M300-I475 HydrophobicContact CG-CD1 3.85Å; R303-I475 HydrophobicContact CB-CB 4.28Å; R303-I475 HydrophobicContact CB-CG2 3.97Å; R303-I475 HydrophobicContact CG-CB 4.04Å; R303-I475 HydrophobicContact CG-CG2 4.25Å; L438-I475 HydrophobicContact CD1-CG2 3.95Å; L438-I475 HydrophobicContact CD2-CD1 4.31Å; I475-V486 CarbonylContact C-O 3.59Å; I475-V486 PolarHBondContact N-O 2.93Å; I475-A488 PolarHBondContact N-O 3.47Å; I475-L490 HydrophobicContact CB-CD2 3.86Å; I475-L490 HydrophobicContact CD1-CD1 4.24Å; I475-L490 HydrophobicContact CD1-CD2 4.07Å; I475-L490 HydrophobicContact CG1-CD1 4.35Å; I475-L490 HydrophobicContact CG1-CD2 3.87Å; I475-L490 HydrophobicContact CG1-CG 4.48Å
476S93.1Very high91.3Very high11 Ų1120.3 Ų20.38%0.07711%0.111CC..  trans-62134174.2-56.10000110.8Q462 V486Q462-S476 PolarHBondContact N-OG 3.41Å; Q462-S476 VanDerWaalsContact N-OG 3.15Å; Q462-S476 WeakPolarHBondContact O-CB 2.9Å; Q462-S476 PolarHBondContact O-N 2.82Å; Q462-S476 PolarHBondContact O-OG 3.32Å; S476-V486 PolarHBondContact N-O 2.91Å
477E88.8Confident91.3Very high16 Ų1619.1 Ų19.18%0.07511%0.106CC..  trans-67.1145.1174.2-71.6-173.2-160.800111.2R45 K47 R303 W479 D480R45-E477 IonicContact CZ-OE2 2.75Å; R45-E477 IonicContact NE-OE2 3.62Å; R45-E477 PolarHBondContact NE-OE2 2.99Å; R45-E477 IonicContact NH2-OE1 2.68Å; R45-E477 IonicContact NH2-OE2 3.63Å; R45-E477 PolarHBondContact NH2-OE2 2.93Å; K47-E477 HydrophobicContact CD-CG 4.26Å; K47-E477 WeakPolarHBondContact CG-OE1 3.04Å; R303-E477 VanDerWaalsContact NH1-CD 3.33Å; R303-E477 IonicContact NH1-OE1 2.72Å; R303-E477 PolarHBondContact NH1-OE1 2.94Å; E477-W479 PolarHBondContact O-N 2.75Å; E477-D480 HydrophobicContact CB-CB 4.4Å; E477-D480 PolarHBondContact O-N 2.94Å
478M83.3Confident91.4Very high35 Ų3518.5 Ų18.517%0.17210%0.102CC..THydrogen-bonded Turntrans-52.1-33.5179.3-177.1-177.4-90.100113.6P305 V436 P459P305-M478 HydrophobicContact CG-CB 4.22Å; P305-M478 HydrophobicContact CG-CE 3.33Å; P305-M478 HydrophobicContact CG-CG 4.38Å; P305-M478 HydrophobicContact CG-SD 3.29Å; P305-M478 WeakPolarHBondContact CG-SD 3.28Å; V436-M478 HydrophobicContact CG2-CE 3.17Å; P459-M478 HydrophobicContact CB-CG 3.92Å; P459-M478 WeakPolarHBondContact CB-O 3.24Å; P459-M478 HydrophobicContact CG-CG 3.58Å
479W82.6Confident91.4Very high66 Ų6617.9 Ų17.925%0.2510%0.099CC..THydrogen-bonded Turntrans-87.1-11.9-176.6-24.996.8000112.9R42 A43 P305 E477 Y481R42-W479 HydrophobicContact CB-CB 4.3Å; R42-W479 HydrophobicContact CB-CG 4.15Å; A43-W479 VanDerWaalsContact CB-O 3.22Å; A43-W479 WeakPolarHBondContact CB-O 3.29Å; P305-W479 HydrophobicContact CB-CZ2 4.38Å; P305-W479 HydrophobicContact CG-CZ2 4.22Å; E477-W479 PolarHBondContact O-N 2.75Å; W479-Y481 WeakPolarHBondContact O-CD2 3.43Å; W479-Y481 PolarHBondContact O-N 2.9Å
480D84.8Confident91.4Very high13 Ų1317.9 Ų17.97%0.0710%0.099CC..  trans-89.498.1-179.3-171.43.9000111.1K47 E477 S482 R485K47-D480 IonicContact NZ-OD2 3.46Å; E477-D480 HydrophobicContact CB-CB 4.4Å; E477-D480 PolarHBondContact O-N 2.94Å; D480-S482 PolarHBondContact O-N 2.95Å; D480-S482 WeakPolarHBondContact OD1-CB 3.27Å; D480-S482 PolarHBondContact OD1-N 3.19Å; D480-S482 PolarHBondContact OD1-OG 3.06Å; D480-R485 IonicContact OD1-NH2 2.96Å; D480-R485 IonicContact OD2-CZ 3.32Å; D480-R485 IonicContact OD2-NH2 2.88Å; D480-R485 PolarHBondContact OD2-NH2 3.4Å
481Y82.6Confident91.4Very high60 Ų6018.2 Ų18.224%0.23510%0.101CC..  trans-83.611.2174.9-67.4-87.2000113.5L409 N453 W479L409-Y481 HydrophobicContact CD2-CD1 4.48Å; L409-Y481 HydrophobicContact CD2-CE1 3.94Å; N453-Y481 HydrophobicContact CB-CD1 4.36Å; W479-Y481 WeakPolarHBondContact O-CD2 3.43Å; W479-Y481 PolarHBondContact O-N 2.9Å
482S86.4Confident91.5Very high48 Ų4817.4 Ų17.434%0.3369%0.093SC..  trans-63.8147.9170.3-54.50000110.2D480 R485D480-S482 PolarHBondContact O-N 2.95Å; D480-S482 WeakPolarHBondContact OD1-CB 3.27Å; D480-S482 PolarHBondContact OD1-N 3.19Å; D480-S482 PolarHBondContact OD1-OG 3.06Å; S482-R485 PolarHBondContact OG-NH2 3.09Å
483T88.7Confident91.7Very high31 Ų3117.4 Ų17.419%0.199%0.093CC..  trans-122.3150.5-174.152.10000111.2Q449 R450Q449-T483 HydrophobicContact CB-CG2 4.04Å; Q449-T483 HydrophobicContact CG-CG2 4.06Å; Q449-T483 VanDerWaalsContact OE1-CA 3.29Å; R450-T483 HydrophobicContact CB-CG2 4.14Å; R450-T483 PolarHBondContact NH2-OG1 3.07Å
484G84.9Confident91.6Very high23 Ų2317.9 Ų17.924%0.23710%0.095CC..SBendtrans78.122.6179.900000114Q449 K564Q449-G484 VanDerWaalsContact OE1-N 3.15Å; G484-K564 WeakPolarHBondContact O-CD 3.32Å; G484-K564 VanDerWaalsContact O-CG 3.31Å; G484-K564 WeakPolarHBondContact O-CG 3.42Å
485R91.9Very high91.7Very high27 Ų2717.9 Ų17.910%0.10210%0.095CC..  trans-132.7159.9173.5-52.9-170.8-63.2170.36.8108.5D480 S482 D560 K564D480-R485 IonicContact OD1-NH2 2.96Å; D480-R485 IonicContact OD2-CZ 3.32Å; D480-R485 IonicContact OD2-NH2 2.88Å; D480-R485 PolarHBondContact OD2-NH2 3.4Å; S482-R485 PolarHBondContact OG-NH2 3.09Å; R485-D560 IonicContact CZ-OD1 3.25Å; R485-D560 IonicContact CZ-OD2 2.74Å; R485-D560 IonicContact NH1-OD1 2.9Å; R485-D560 PolarHBondContact NH1-OD1 3.07Å; R485-D560 IonicContact NH1-OD2 2.89Å; R485-D560 PolarHBondContact NH1-OD2 2.6Å; R485-D560 IonicContact NH2-OD1 2.66Å; R485-D560 IonicContact NH2-OD2 3.67Å; R485-D560 PolarHBondContact NH2-OD2 2.83Å; R485-K564 HydrophobicContact CG-CB 4.26Å
486V93.7Very high91.8Very high10 Ų1018.4 Ų18.46%0.06110%0.099CC..  trans-108.49.3-175.6-65.70000113.6Q462 Y464 T474 I475 S476 L563 I565Q462-V486 HydrophobicContact CB-CG1 4.16Å; Y464-V486 HydrophobicContact CG-CG2 4.43Å; T474-V486 CarbonylContact C-O 3.54Å; T474-V486 WeakPolarHBondContact CB-O 3.27Å; T474-V486 WeakPolarHBondContact OG1-CB 3.31Å; T474-V486 VanDerWaalsContact OG1-CG2 3.25Å; T474-V486 WeakPolarHBondContact OG1-CG2 3.49Å; T474-V486 PolarHBondContact OG1-O 3.22Å; I475-V486 CarbonylContact C-O 3.59Å; I475-V486 PolarHBondContact N-O 2.93Å; S476-V486 PolarHBondContact N-O 2.91Å; V486-L563 HydrophobicContact CG2-CB 3.96Å; V486-L563 HydrophobicContact CG2-CD2 4.23Å; V486-L563 HydrophobicContact CG2-CG 4.07Å; V486-L563 VanDerWaalsContact CG2-O 3.23Å; V486-L563 WeakPolarHBondContact CG2-O 3.3Å; V486-L563 PolarHBondContact N-O 3.15Å; V486-I565 HydrophobicContact CG1-CG1 3.99Å; V486-I565 HydrophobicContact CG2-CD1 4.03Å; V486-I565 HydrophobicContact CG2-CG1 3.97Å
487G94.6Very high92Very high1 Ų118.1 Ų18.11%0.0110%0.097CC..BIsolated β-bridgetrans84.4-168.1178.400000114C562 L563G487-C562 WeakPolarHBondContact O-CA 3.42Å; G487-L563 PolarHBondContact O-N 3.31Å
488A95.7Very high92.3Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-93.7159.3-178.300000111.4K47 A48 T474 I475 L490K47-A488 HydrophobicContact CB-CB 3.63Å; A48-A488 HydrophobicContact CB-CB 4Å; T474-A488 VanDerWaalsContact CA-O 3.24Å; T474-A488 WeakPolarHBondContact CA-O 3.43Å; T474-A488 VanDerWaalsContact CB-O 3.25Å; T474-A488 WeakPolarHBondContact CB-O 2.95Å; I475-A488 PolarHBondContact N-O 3.47Å; A488-L490 PolarHBondContact O-N 3.3Å
489P97.6Very high92.9Very high0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-43.6138.6171.1-29.633.2000112.9A48 A61 R303 G473 I495 F557A48-P489 HydrophobicContact CB-CG 4.21Å; A61-P489 WeakPolarHBondContact CB-O 3.48Å; R303-P489 PolarHBondContact NH2-O 2.93Å; G473-P489 CarbonylContact O-C 3.22Å; G473-P489 WeakPolarHBondContact O-CA 3.39Å; P489-I495 HydrophobicContact CB-CD1 4.3Å; P489-I495 HydrophobicContact CB-CG1 4.29Å; P489-I495 HydrophobicContact CG-CB 4.35Å; P489-I495 HydrophobicContact CG-CD1 3.96Å; P489-I495 HydrophobicContact CG-CG1 4.04Å; P489-F557 HydrophobicContact CG-CE1 4.49Å
490L97.2Very high93.4Very high0 Ų022.1 Ų22.10%012%0.117CC..  trans-69.8154.6169.7-64.3-176.8000110.1M300 R303 A472 G473 I475 A488 C492 S493M300-L490 HydrophobicContact CG-CD1 3.8Å; R303-L490 HydrophobicContact CG-CD2 3.43Å; R303-L490 VanDerWaalsContact CG-CD2 3.43Å; A472-L490 HydrophobicContact CB-CD1 3.72Å; G473-L490 PolarHBondContact O-N 3.12Å; I475-L490 HydrophobicContact CB-CD2 3.86Å; I475-L490 HydrophobicContact CD1-CD1 4.24Å; I475-L490 HydrophobicContact CD1-CD2 4.07Å; I475-L490 HydrophobicContact CG1-CD1 4.35Å; I475-L490 HydrophobicContact CG1-CD2 3.87Å; I475-L490 HydrophobicContact CG1-CG 4.48Å; A488-L490 PolarHBondContact O-N 3.3Å; L490-C492 PolarHBondContact O-N 3.49Å; L490-C492 VanDerWaalsContact O-N 3.08Å; L490-S493 PolarHBondContact N-OG 3.42Å; L490-S493 VanDerWaalsContact N-OG 3.11Å; L490-S493 PolarHBondContact O-N 3.46Å; L490-S493 PolarHBondContact O-OG 3.31Å
491V96.7Very high93.5Very high7 Ų727.9 Ų27.94%0.04214%0.143CC..THydrogen-bonded Turntrans-62.1-18.9-178.6-64.50000113.9A61 N63 S64 L68 V69 E302 S493A61-V491 HydrophobicContact CB-CG1 4.17Å; N63-V491 WeakPolarHBondContact ND2-CG1 3.14Å; N63-V491 WeakPolarHBondContact OD1-CG1 3.38Å; S64-V491 PolarHBondContact OG-O 2.83Å; L68-V491 WeakPolarHBondContact CA-O 3.32Å; V69-V491 HydrophobicContact CB-CB 4.18Å; V69-V491 HydrophobicContact CB-CG2 3.85Å; V69-V491 HydrophobicContact CG1-CG2 4.49Å; V69-V491 HydrophobicContact CG2-CB 3.92Å; V69-V491 HydrophobicContact CG2-CG2 3.95Å; V69-V491 PolarHBondContact N-O 2.91Å; E302-V491 HydrophobicContact CB-CG2 4.29Å; E302-V491 HydrophobicContact CG-CG1 4.38Å; E302-V491 HydrophobicContact CG-CG2 4.48Å; V491-S493 VanDerWaalsContact C-N 3.34Å
492C96.8Very high93.4Very high0 Ų031.7 Ų31.70%016%0.163CC..THydrogen-bonded Turntrans-85-4.4173.968.60000114V69 A295 L490 P522 N523V69-C492 WeakPolarHBondContact O-CA 3.47Å; V69-C492 WeakPolarHBondContact O-CB 3.3Å; A295-C492 HydrophobicContact CB-CB 4.37Å; A295-C492 WeakPolarHBondContact O-CB 3.45Å; L490-C492 PolarHBondContact O-N 3.49Å; L490-C492 VanDerWaalsContact O-N 3.08Å; C492-P522 VanDerWaalsContact O-CD 3.25Å; C492-P522 WeakPolarHBondContact O-CD 3.36Å; C492-N523 PolarHBondContact O-OD1 2.8Å
493S96.3Very high93Very high0 Ų029.8 Ų29.80%015%0.152CC..  trans-133.2151.4-169.961.60000112.6G473 L490 V491 G520G473-S493 PolarHBondContact O-OG 3.07Å; G473-S493 VanDerWaalsContact O-OG 3.09Å; L490-S493 PolarHBondContact N-OG 3.42Å; L490-S493 VanDerWaalsContact N-OG 3.11Å; L490-S493 PolarHBondContact O-N 3.46Å; L490-S493 PolarHBondContact O-OG 3.31Å; V491-S493 VanDerWaalsContact C-N 3.34Å; S493-G520 CarbonylContact C-O 3.56Å; S493-G520 WeakPolarHBondContact CA-O 3.38Å
494E96Very high92.7Very high9 Ų930 Ų304%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-125.6150.6165.560.9-177.3162.400110.2P58 Y59 R60 L68 G520 W548P58-E494 HydrophobicContact CB-CB 4.42Å; Y59-E494 WeakPolarHBondContact O-CA 3.28Å; R60-E494 HydrophobicContact CG-CB 3.7Å; R60-E494 IonicContact CZ-OE2 3.17Å; R60-E494 IonicContact NE-OE2 2.74Å; R60-E494 PolarHBondContact NE-OE2 3.12Å; R60-E494 IonicContact NH2-OE1 3.46Å; R60-E494 PolarHBondContact NH2-OE1 3.19Å; R60-E494 IonicContact NH2-OE2 2.74Å; R60-E494 PolarHBondContact NH2-OE2 3.37Å; L68-E494 HydrophobicContact CD1-CG 4.26Å; L68-E494 HydrophobicContact CD2-CB 4.38Å; E494-G520 PolarHBondContact N-O 3.43Å; E494-G520 PolarHBondContact O-N 3.17Å; E494-W548 HydrophobicContact CG-CH2 3.54Å; E494-W548 HydrophobicContact CG-CZ2 3.98Å; E494-W548 HydrophobicContact CG-CZ3 4.22Å; E494-W548 WeakPolarHBondContact OE1-CZ2 3.3Å
495I97.9Very high93Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-130.1130.6-172.4-58-172.7000110.8P58 Y59 T474 P489 I517 L518 I519 F557 L563P58-I495 CarbonylContact C-O 3.54Å; P58-I495 WeakPolarHBondContact CA-O 3.29Å; Y59-I495 PolarHBondContact N-O 3.04Å; Y59-I495 PolarHBondContact O-N 3.1Å; T474-I495 HydrophobicContact CG2-CD1 3.45Å; T474-I495 VanDerWaalsContact CG2-CD1 3.45Å; P489-I495 HydrophobicContact CB-CD1 4.3Å; P489-I495 HydrophobicContact CB-CG1 4.29Å; P489-I495 HydrophobicContact CG-CB 4.35Å; P489-I495 HydrophobicContact CG-CD1 3.96Å; P489-I495 HydrophobicContact CG-CG1 4.04Å; I495-I517 HydrophobicContact CG2-CG2 3.7Å; I495-L518 CarbonylContact C-O 3.45Å; I495-L518 VanDerWaalsContact CA-O 3.31Å; I495-L518 WeakPolarHBondContact CA-O 3.42Å; I495-I519 HydrophobicContact CD1-CG1 4.46Å; I495-I519 HydrophobicContact CG1-CG1 4.29Å; I495-F557 HydrophobicContact CB-CE2 4.36Å; I495-F557 HydrophobicContact CB-CZ 3.88Å; I495-F557 HydrophobicContact CG2-CE2 3.81Å; I495-F557 HydrophobicContact CG2-CZ 3.67Å; I495-L563 HydrophobicContact CD1-CD2 4.17Å
496T97.4Very high93.1Very high30 Ų3030.9 Ų30.918%0.18416%0.158CC..EExtended strand (participates in β ladder)trans-120145.5175.7-58.40000109.4A56 P58 L518 W548A56-T496 CarbonylContact O-C 3.56Å; A56-T496 WeakPolarHBondContact O-CA 3.42Å; A56-T496 WeakPolarHBondContact O-CG2 3.23Å; P58-T496 WeakPolarHBondContact CA-OG1 3.5Å; P58-T496 WeakPolarHBondContact CB-OG1 3.37Å; T496-L518 PolarHBondContact N-O 2.91Å; T496-L518 PolarHBondContact O-N 2.88Å; T496-W548 WeakPolarHBondContact OG1-CH2 3.34Å; T496-W548 WeakPolarHBondContact OG1-CZ3 3.39Å
497L97.7Very high93.1Very high5 Ų531 Ų313%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-94.9130.1169.7-62.7178.3000109.6A56 P513 E516 I517 F557A56-L497 PolarHBondContact O-N 2.7Å; L497-P513 HydrophobicContact CD1-CB 4Å; L497-P513 HydrophobicContact CD1-CG 4.37Å; L497-E516 CarbonylContact C-O 3.6Å; L497-E516 VanDerWaalsContact CA-O 3.31Å; L497-E516 WeakPolarHBondContact CA-O 3.43Å; L497-I517 HydrophobicContact CD2-CG1 4.27Å; L497-F557 HydrophobicContact CD1-CD2 3.78Å; L497-F557 HydrophobicContact CD2-CD2 4.16Å; L497-F557 HydrophobicContact CD2-CE2 4.19Å; L497-F557 HydrophobicContact CG-CD2 3.86Å; L497-F557 HydrophobicContact CG-CE2 4.09Å
498K96.4Very high93Very high108 Ų10835.6 Ų35.647%0.4719%0.187SC..EExtended strand (participates in β ladder)trans-106.6128.5170.6179.6-179.2175.9-173.80109.1G515 E516 L518K498-G515 CarbonylContact O-C 3.52Å; K498-G515 WeakPolarHBondContact O-CA 3.46Å; K498-E516 HydrophobicContact CB-CB 4.3Å; K498-E516 PolarHBondContact N-O 2.99Å; K498-E516 PolarHBondContact O-N 3.44Å; K498-L518 HydrophobicContact CB-CD1 3.44Å; K498-L518 VanDerWaalsContact CB-CD1 3.44Å; K498-L518 HydrophobicContact CB-CD2 4.23Å; K498-L518 HydrophobicContact CD-CD1 4.25Å; K498-L518 HydrophobicContact CD-CD2 4.39Å
499D95.5Very high92.8Very high63 Ų6337 Ų3734%0.33720%0.195SC..  trans-58.5140.6177.4-63.2-6.6000110.2S507D499-S507 WeakPolarHBondContact OD1-CB 3.16Å; D499-S507 PolarHBondContact OD1-N 3.22Å; D499-S507 PolarHBondContact OD1-OG 3.4Å
500W92.6Very high92.5Very high30 Ų3045.6 Ų45.611%0.11423%0.232CC..BIsolated β-bridgetrans-128.788.6177.2-175.939.2000109.6E502 G503 G504 Y505 I554 K569 L572W500-E502 VanDerWaalsContact C-N 3.3Å; W500-E502 HydrophobicContact CZ2-CB 4.37Å; W500-E502 PolarHBondContact NE1-OE2 2.83Å; W500-E502 PolarHBondContact O-N 2.76Å; W500-G503 PolarHBondContact O-N 2.76Å; W500-G503 VanDerWaalsContact O-N 3.15Å; W500-G504 PolarHBondContact O-N 2.81Å; W500-G504 VanDerWaalsContact O-N 3.11Å; W500-Y505 AromaticContact CE3-CD2 3.67Å; W500-Y505 HydrophobicContact CE3-CD2 3.67Å; W500-Y505 HydrophobicContact CE3-CE2 4.02Å; W500-Y505 HydrophobicContact CZ3-CD2 4.11Å; W500-Y505 AromaticContact CZ3-CE2 3.97Å; W500-Y505 HydrophobicContact CZ3-CE2 3.97Å; W500-Y505 PolarHBondContact N-O 3.42Å; W500-Y505 PolarHBondContact O-N 3.27Å; W500-I554 HydrophobicContact CD2-CD1 4.35Å; W500-I554 HydrophobicContact CE3-CD1 3.55Å; W500-I554 HydrophobicContact CE3-CG1 4.01Å; W500-I554 HydrophobicContact CZ3-CD1 4.09Å; W500-I554 HydrophobicContact CZ3-CG1 4.11Å; W500-K569 HydrophobicContact CD2-CD 4.21Å; W500-K569 HydrophobicContact CD2-CG 4.03Å; W500-K569 HydrophobicContact CE3-CG 3.91Å; W500-K569 HydrophobicContact CH2-CB 4.06Å; W500-K569 HydrophobicContact CH2-CG 3.86Å; W500-K569 HydrophobicContact CZ2-CB 4.23Å; W500-K569 HydrophobicContact CZ2-CD 4.38Å; W500-K569 HydrophobicContact CZ2-CG 3.96Å; W500-K569 HydrophobicContact CZ3-CB 4.4Å; W500-K569 HydrophobicContact CZ3-CG 3.82Å; W500-L572 HydrophobicContact CH2-CB 4.26Å; W500-L572 HydrophobicContact CH2-CD2 3.55Å; W500-L572 HydrophobicContact CZ3-CD2 3.63Å
501E87.3Confident92.2Very high133 Ų13350.9 Ų50.962%0.62127%0.267SS*.G310 helixtrans-53-44.1-177.2-63.3-62140.100112.6G503 G504 H506E501-G503 PolarHBondContact O-N 3.04Å; E501-G504 PolarHBondContact O-N 3.44Å; E501-G504 VanDerWaalsContact O-N 3.08Å; E501-H506 VanDerWaalsContact CD-CE1 3.49Å; E501-H506 IonicContact OE1-CE1 2.75Å; E501-H506 PolarHBondContact OE1-CE1 2.84Å; E501-H506 VanDerWaalsContact OE1-CE1 3.25Å; E501-H506 IonicContact OE1-ND1 3.76Å; E501-H506 PolarHBondContact OE1-ND1 3.43Å; E501-H506 IonicContact OE2-CE1 3.62Å; E501-H506 PolarHBondContact OE2-CE1 2.74Å; E501-H506 VanDerWaalsContact OE2-CE1 3.3Å
502E80.8Confident92.1Very high140 Ų14051.4 Ų51.465%0.65427%0.269SS*.G310 helixtrans-62.9-32.4-177.1-57.2165.2156.400112.4W500 Y580W500-E502 VanDerWaalsContact C-N 3.3Å; W500-E502 HydrophobicContact CZ2-CB 4.37Å; W500-E502 PolarHBondContact NE1-OE2 2.83Å; W500-E502 PolarHBondContact O-N 2.76Å; E502-Y580 PolarHBondContact O-OH 3.28Å
503G77.1Confident92.1Very high9 Ų952.3 Ų52.39%0.09328%0.275CS..G310 helixtrans-94-3.7176.900000114.2W500 E501 Y505W500-G503 PolarHBondContact O-N 2.76Å; W500-G503 VanDerWaalsContact O-N 3.15Å; E501-G503 PolarHBondContact O-N 3.04Å; G503-Y505 WeakPolarHBondContact O-CD2 3.21Å; G503-Y505 WeakPolarHBondContact O-CE2 3.47Å
504G83.7Confident92.1Very high35 Ų3556 Ų5636%0.36129%0.289SS..THydrogen-bonded Turntrans65.934.4-177.800000114.1W500 E501 R514W500-G504 PolarHBondContact O-N 2.81Å; W500-G504 VanDerWaalsContact O-N 3.11Å; E501-G504 PolarHBondContact O-N 3.44Å; E501-G504 VanDerWaalsContact O-N 3.08Å; G504-R514 PolarHBondContact O-NH2 2.93Å
505Y91.2Very high92.1Very high22 Ų2255.6 Ų55.69%0.08629%0.287CS..BIsolated β-bridgetrans-111.4121176.4-59.9-80.6000110.5W500 G503 R514 I554 I566 D567 L572W500-Y505 AromaticContact CE3-CD2 3.67Å; W500-Y505 HydrophobicContact CE3-CD2 3.67Å; W500-Y505 HydrophobicContact CE3-CE2 4.02Å; W500-Y505 HydrophobicContact CZ3-CD2 4.11Å; W500-Y505 AromaticContact CZ3-CE2 3.97Å; W500-Y505 HydrophobicContact CZ3-CE2 3.97Å; W500-Y505 PolarHBondContact N-O 3.42Å; W500-Y505 PolarHBondContact O-N 3.27Å; G503-Y505 WeakPolarHBondContact O-CD2 3.21Å; G503-Y505 WeakPolarHBondContact O-CE2 3.47Å; Y505-R514 HydrophobicContact CD1-CB 4.12Å; Y505-I554 HydrophobicContact CD1-CG2 3.83Å; Y505-I554 HydrophobicContact CD2-CG1 4.45Å; Y505-I554 HydrophobicContact CD2-CG2 4.01Å; Y505-I554 HydrophobicContact CE1-CG2 4.1Å; Y505-I554 HydrophobicContact CE2-CG1 4.44Å; Y505-I554 HydrophobicContact CE2-CG2 4.26Å; Y505-I554 HydrophobicContact CG-CG2 3.78Å; Y505-I566 HydrophobicContact CD1-CD1 3.92Å; Y505-I566 HydrophobicContact CE1-CD1 3.67Å; Y505-D567 PolarHBondContact OH-OD2 3.2Å; Y505-L572 HydrophobicContact CE2-CD2 4.32Å
506H92.3Very high92Very high46 Ų4656.1 Ų56.121%0.21329%0.289CS..  trans-126.6144.4180-49.1-85.2000111.6E501 T508 D509 R514E501-H506 VanDerWaalsContact CD-CE1 3.49Å; E501-H506 IonicContact OE1-CE1 2.75Å; E501-H506 PolarHBondContact OE1-CE1 2.84Å; E501-H506 VanDerWaalsContact OE1-CE1 3.25Å; E501-H506 IonicContact OE1-ND1 3.76Å; E501-H506 PolarHBondContact OE1-ND1 3.43Å; E501-H506 IonicContact OE2-CE1 3.62Å; E501-H506 PolarHBondContact OE2-CE1 2.74Å; E501-H506 VanDerWaalsContact OE2-CE1 3.3Å; H506-T508 PolarHBondContact O-N 3.06Å; H506-T508 VanDerWaalsContact O-N 3.09Å; H506-D509 IonicContact CD2-OD1 3.95Å; H506-D509 PolarHBondContact N-OD2 3.12Å; H506-D509 WeakPolarHBondContact O-CB 3.43Å; H506-D509 PolarHBondContact O-N 3.13Å; H506-R514 CarbonylContact C-O 3.57Å; H506-R514 PolarHBondContact O-N 2.94Å; H506-R514 VanDerWaalsContact O-N 3.09Å
507S93.6Very high92.1Very high13 Ų1354.7 Ų54.79%0.09128%0.281CS..THydrogen-bonded Turntrans-64.4-13.4175.757.20000112.2P55 D499 P513 R514P55-S507 WeakPolarHBondContact CB-O 3.25Å; D499-S507 WeakPolarHBondContact OD1-CB 3.16Å; D499-S507 PolarHBondContact OD1-N 3.22Å; D499-S507 PolarHBondContact OD1-OG 3.4Å; S507-P513 WeakPolarHBondContact O-CB 3.39Å; S507-R514 VanDerWaalsContact CA-O 3.3Å; S507-R514 WeakPolarHBondContact CA-O 3.47Å; S507-R514 PolarHBondContact N-O 3.01Å
508T93.8Very high92.1Very high97 Ų9755 Ų5560%0.59528%0.283SS*.THydrogen-bonded Turntrans-92.3-4.5175.554.50000113.8H506H506-T508 PolarHBondContact O-N 3.06Å; H506-T508 VanDerWaalsContact O-N 3.09Å
509D90.8Very high92.2Very high30 Ų3049.9 Ų49.916%0.1626%0.26CS..  trans-55.5153-178.1-74.6-19.9000113H506 N512 R514H506-D509 IonicContact CD2-OD1 3.95Å; H506-D509 PolarHBondContact N-OD2 3.12Å; H506-D509 WeakPolarHBondContact O-CB 3.43Å; H506-D509 PolarHBondContact O-N 3.13Å; D509-N512 CarbonylContact C-O 3.29Å; D509-N512 CarbonylContact O-C 3.58Å; D509-N512 VanDerWaalsContact O-C 3.22Å; D509-N512 VanDerWaalsContact O-O 3.07Å; D509-R514 HydrophobicContact CB-CG 4.36Å; D509-R514 IonicContact OD2-CZ 3.56Å; D509-R514 IonicContact OD2-NE 3.86Å; D509-R514 PolarHBondContact OD2-NE 2.95Å; D509-R514 IonicContact OD2-NH2 3.52Å; D509-R514 PolarHBondContact OD2-NH2 3.4Å
510K90.6Very high92.3Very high180 Ų18046.9 Ų46.978%0.78324%0.244SC*.SBendtrans-121.4144.5178.1-62-62.8177.7-171.80110.5
511P91.9Very high92.5Very high112 Ų11245.5 Ų45.573%0.72724%0.239SC*.SBendcis-75.4-18.66.430.6-36000114.7
512N95.3Very high93Very high18 Ų1841.1 Ų41.110%0.09622%0.222CC..SBendtrans-127.2144.8-173.5-64.5-37000111D509 E556 F557D509-N512 CarbonylContact C-O 3.29Å; D509-N512 CarbonylContact O-C 3.58Å; D509-N512 VanDerWaalsContact O-C 3.22Å; D509-N512 VanDerWaalsContact O-O 3.07Å; N512-E556 HydrophobicContact CB-CG 3.56Å; N512-E556 WeakPolarHBondContact CB-OE1 2.79Å; N512-E556 PolarHBondContact ND2-OE1 2.84Å; N512-F557 WeakPolarHBondContact CB-O 3.37Å
513P96.4Very high93.8Very high19 Ų1934.4 Ų34.412%0.12319%0.191CC..  trans-65138.1175.430.6-38.9000111.2P55 L497 S507 E556 F557P55-P513 HydrophobicContact CB-CB 4.1Å; L497-P513 HydrophobicContact CD1-CB 4Å; L497-P513 HydrophobicContact CD1-CG 4.37Å; S507-P513 WeakPolarHBondContact O-CB 3.39Å; P513-E556 WeakPolarHBondContact O-CA 3.38Å; P513-F557 WeakPolarHBondContact CD-O 3.2Å; P513-F557 HydrophobicContact CG-CB 3.97Å; P513-F557 PolarHBondContact O-N 2.69Å; P513-F557 VanDerWaalsContact O-N 3.15Å
514R95.9Very high94.8Very high77 Ų7734.1 Ų34.129%0.29119%0.187SC..EExtended strand (participates in β ladder)trans-128.4159.2-178.9-57.5-176.7-58.8165.47.5111.5G504 Y505 H506 S507 D509 G555 E556 I566G504-R514 PolarHBondContact O-NH2 2.93Å; Y505-R514 HydrophobicContact CD1-CB 4.12Å; H506-R514 CarbonylContact C-O 3.57Å; H506-R514 PolarHBondContact O-N 2.94Å; H506-R514 VanDerWaalsContact O-N 3.09Å; S507-R514 VanDerWaalsContact CA-O 3.3Å; S507-R514 WeakPolarHBondContact CA-O 3.47Å; S507-R514 PolarHBondContact N-O 3.01Å; D509-R514 HydrophobicContact CB-CG 4.36Å; D509-R514 IonicContact OD2-CZ 3.56Å; D509-R514 IonicContact OD2-NE 3.86Å; D509-R514 PolarHBondContact OD2-NE 2.95Å; D509-R514 IonicContact OD2-NH2 3.52Å; D509-R514 PolarHBondContact OD2-NH2 3.4Å; R514-G555 VanDerWaalsContact CA-O 3.24Å; R514-G555 WeakPolarHBondContact CA-O 3.43Å; R514-E556 HydrophobicContact CG-CB 4.22Å; R514-E556 HydrophobicContact CG-CG 4.15Å; R514-I566 HydrophobicContact CB-CD1 4.33Å; R514-I566 HydrophobicContact CG-CD1 4.12Å
515G95.8Very high95.4Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans160.8178.5175.300000112.5K498 I517 I554 G555K498-G515 CarbonylContact O-C 3.52Å; K498-G515 WeakPolarHBondContact O-CA 3.46Å; G515-I517 PolarHBondContact O-N 3.06Å; G515-I554 CarbonylContact O-C 3.53Å; G515-I554 WeakPolarHBondContact O-CA 3.37Å; G515-I554 WeakPolarHBondContact O-CG2 3.47Å; G515-G555 PolarHBondContact N-O 2.9Å; G515-G555 VanDerWaalsContact N-O 3.11Å; G515-G555 PolarHBondContact O-N 2.84Å
516E97Very high95.7Very high11 Ų1134.7 Ų34.75%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-63132.1170.4179.2-179.1-139.300110.5L497 K498 L518 G552 D553 I554 K569L497-E516 CarbonylContact C-O 3.6Å; L497-E516 VanDerWaalsContact CA-O 3.31Å; L497-E516 WeakPolarHBondContact CA-O 3.43Å; K498-E516 HydrophobicContact CB-CB 4.3Å; K498-E516 PolarHBondContact N-O 2.99Å; K498-E516 PolarHBondContact O-N 3.44Å; E516-L518 HydrophobicContact CB-CD1 4.25Å; E516-L518 HydrophobicContact CG-CD1 3.87Å; E516-L518 WeakPolarHBondContact O-CD1 3.48Å; E516-G552 WeakPolarHBondContact OE1-CA 3.43Å; E516-G552 PolarHBondContact OE1-N 2.87Å; E516-D553 WeakPolarHBondContact CA-O 3.5Å; E516-I554 HydrophobicContact CB-CD1 4.11Å; E516-K569 VanDerWaalsContact CD-CE 3.47Å; E516-K569 WeakPolarHBondContact OE1-CE 3.43Å; E516-K569 IonicContact OE1-NZ 3.73Å; E516-K569 PolarHBondContact OE1-NZ 3.5Å; E516-K569 IonicContact OE2-NZ 2.75Å; E516-K569 PolarHBondContact OE2-NZ 2.95Å
517I98Very high95.8Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-79.8123.2178.7-60.8156.9000109Y464 I495 L497 G515 I519 T551 D553 L563 I565Y464-I517 HydrophobicContact CE1-CD1 4.17Å; Y464-I517 HydrophobicContact CE1-CG2 4.1Å; I495-I517 HydrophobicContact CG2-CG2 3.7Å; L497-I517 HydrophobicContact CD2-CG1 4.27Å; G515-I517 PolarHBondContact O-N 3.06Å; I517-I519 HydrophobicContact CG2-CG1 4.05Å; I517-T551 HydrophobicContact CB-CG2 4.41Å; I517-T551 WeakPolarHBondContact CB-OG1 3.31Å; I517-T551 HydrophobicContact CG2-CG2 4.21Å; I517-T551 WeakPolarHBondContact O-CB 3.3Å; I517-T551 WeakPolarHBondContact O-CG2 3.47Å; I517-T551 PolarHBondContact O-N 3.29Å; I517-T551 VanDerWaalsContact O-N 3.12Å; I517-T551 PolarHBondContact O-OG1 3.29Å; I517-D553 HydrophobicContact CD1-CB 4.28Å; I517-D553 PolarHBondContact N-O 3.28Å; I517-L563 HydrophobicContact CD1-CD1 4.38Å; I517-L563 HydrophobicContact CD1-CD2 3.95Å; I517-L563 HydrophobicContact CG1-CD1 4.37Å; I517-L563 HydrophobicContact CG1-CD2 4.34Å; I517-L563 HydrophobicContact CG2-CD2 4.39Å; I517-I565 HydrophobicContact CD1-CD1 3.36Å
518L97.9Very high95.9Very high13 Ų1332 Ų327%0.06817%0.168CC..EExtended strand (participates in β ladder)trans-111.2125.9170.2-7863.4000108.1I495 T496 K498 E516 F540 W548 F549I495-L518 CarbonylContact C-O 3.45Å; I495-L518 VanDerWaalsContact CA-O 3.31Å; I495-L518 WeakPolarHBondContact CA-O 3.42Å; T496-L518 PolarHBondContact N-O 2.91Å; T496-L518 PolarHBondContact O-N 2.88Å; K498-L518 HydrophobicContact CB-CD1 3.44Å; K498-L518 VanDerWaalsContact CB-CD1 3.44Å; K498-L518 HydrophobicContact CB-CD2 4.23Å; K498-L518 HydrophobicContact CD-CD1 4.25Å; K498-L518 HydrophobicContact CD-CD2 4.39Å; E516-L518 HydrophobicContact CB-CD1 4.25Å; E516-L518 HydrophobicContact CG-CD1 3.87Å; E516-L518 WeakPolarHBondContact O-CD1 3.48Å; L518-F540 HydrophobicContact CD2-CE1 3.91Å; L518-F540 HydrophobicContact CD2-CZ 3.97Å; L518-W548 HydrophobicContact CB-CE3 4.16Å; L518-F549 WeakPolarHBondContact CA-O 3.5Å
519I98.4Very high95.9Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-106.5124.9178.4-60.5176.7000108.8Y464 T469 I495 I517 V524 W548 F549 T551Y464-I519 HydrophobicContact CE1-CD1 3.93Å; T469-I519 HydrophobicContact CG2-CB 4.06Å; T469-I519 HydrophobicContact CG2-CD1 3.92Å; T469-I519 HydrophobicContact CG2-CG2 4.03Å; I495-I519 HydrophobicContact CD1-CG1 4.46Å; I495-I519 HydrophobicContact CG1-CG1 4.29Å; I517-I519 HydrophobicContact CG2-CG1 4.05Å; I519-V524 HydrophobicContact CG2-CG2 4.33Å; I519-V524 WeakPolarHBondContact O-CG2 3.46Å; I519-W548 CarbonylContact O-C 3.34Å; I519-W548 WeakPolarHBondContact O-CA 3.48Å; I519-F549 PolarHBondContact N-O 2.82Å; I519-F549 PolarHBondContact O-N 3.05Å; I519-T551 HydrophobicContact CD1-CG2 3.96Å; I519-T551 HydrophobicContact CG1-CG2 4Å
520G97.9Very high96Very high0 Ų033.4 Ų33.40%016%0.164CC..EExtended strand (participates in β ladder)trans-113.8144.3172.100000110.4S493 E494 R547 W548S493-G520 CarbonylContact C-O 3.56Å; S493-G520 WeakPolarHBondContact CA-O 3.38Å; E494-G520 PolarHBondContact N-O 3.43Å; E494-G520 PolarHBondContact O-N 3.17Å; G520-R547 WeakPolarHBondContact CA-O 3.2Å; G520-W548 VanDerWaalsContact CA-CE3 3.46Å; G520-W548 VanDerWaalsContact N-CE3 3.27Å
521G97.1Very high95.8Very high1 Ų126.3 Ų26.31%0.0114%0.137CC..SBendtrans157169.317200000113.5N523 V524 Q546 R547G521-N523 PolarHBondContact O-N 3.23Å; G521-N523 VanDerWaalsContact O-N 3.16Å; G521-V524 WeakPolarHBondContact O-CB 3.45Å; G521-V524 WeakPolarHBondContact O-CG2 3.39Å; G521-V524 PolarHBondContact O-N 3.07Å; G521-V524 VanDerWaalsContact O-N 3.08Å; G521-Q546 PolarHBondContact O-NE2 2.88Å; G521-Q546 VanDerWaalsContact O-NE2 3.12Å; G521-R547 PolarHBondContact N-O 2.64Å
522P96.9Very high95.5Very high40 Ų4028.3 Ų28.326%0.2614%0.136SC..THydrogen-bonded Turntrans-58.7-18.2172.123.4-36.5000114A70 N292 A295 C492 V524A70-P522 HydrophobicContact CB-CB 4.16Å; A70-P522 HydrophobicContact CB-CG 4.02Å; N292-P522 WeakPolarHBondContact CA-O 3.3Å; N292-P522 PolarHBondContact ND2-O 2.95Å; A295-P522 HydrophobicContact CB-CB 3.77Å; A295-P522 HydrophobicContact CB-CG 3.83Å; C492-P522 VanDerWaalsContact O-CD 3.25Å; C492-P522 WeakPolarHBondContact O-CD 3.36Å; P522-V524 VanDerWaalsContact C-N 3.32Å
523N97.4Very high95Very high0 Ų029.8 Ų29.80%016%0.156CC..THydrogen-bonded Turntrans-80.3-7.3175.367.1-65.7000114.1A295 T469 C470 A472 C492 G521A295-N523 HydrophobicContact CB-CB 4.35Å; T469-N523 CarbonylContact C-O 3.52Å; T469-N523 VanDerWaalsContact C-O 3.28Å; T469-N523 WeakPolarHBondContact CA-O 3.47Å; T469-N523 PolarHBondContact O-ND2 2.96Å; C470-N523 PolarHBondContact SG-O 3.33Å; A472-N523 HydrophobicContact CB-CB 4.19Å; A472-N523 PolarHBondContact O-ND2 3.3Å; C492-N523 PolarHBondContact O-OD1 2.8Å; G521-N523 PolarHBondContact O-N 3.23Å; G521-N523 VanDerWaalsContact O-N 3.16Å
524V98.3Very high94.3Very high2 Ų233.7 Ų33.71%0.01217%0.169CC..SBendtrans-75.2126177.7-1790000110N292 I519 G521 P522 F539 R547 F549N292-V524 PolarHBondContact ND2-O 3.11Å; I519-V524 HydrophobicContact CG2-CG2 4.33Å; I519-V524 WeakPolarHBondContact O-CG2 3.46Å; G521-V524 WeakPolarHBondContact O-CB 3.45Å; G521-V524 WeakPolarHBondContact O-CG2 3.39Å; G521-V524 PolarHBondContact O-N 3.07Å; G521-V524 VanDerWaalsContact O-N 3.08Å; P522-V524 VanDerWaalsContact C-N 3.32Å; V524-F539 HydrophobicContact CG1-CD1 3.94Å; V524-F539 HydrophobicContact CG1-CE1 3.93Å; V524-R547 HydrophobicContact CB-CB 4.47Å; V524-R547 HydrophobicContact CB-CG 4.36Å; V524-R547 HydrophobicContact CG1-CB 4.4Å; V524-R547 HydrophobicContact CG1-CG 3.79Å; V524-F549 HydrophobicContact CG1-CB 3.83Å
525T97.8Very high94Very high0 Ų031.7 Ų31.70%016%0.163CC..  trans-68.6170.2-171.759.80000114.1V286 M287 I288 N292 T467 E468 G527 R547V286-T525 HydrophobicContact CG1-CG2 3.82Å; M287-T525 WeakPolarHBondContact O-CB 3.13Å; I288-T525 HydrophobicContact CB-CG2 4.39Å; I288-T525 HydrophobicContact CG1-CG2 3.84Å; I288-T525 HydrophobicContact CG2-CG2 4.34Å; N292-T525 WeakPolarHBondContact OD1-CA 3.5Å; T467-T525 WeakPolarHBondContact O-CG2 3.21Å; E468-T525 VanDerWaalsContact C-CG2 3.48Å; E468-T525 WeakPolarHBondContact CA-OG1 3.34Å; E468-T525 WeakPolarHBondContact O-CB 3.5Å; E468-T525 VanDerWaalsContact O-CG2 3.22Å; E468-T525 WeakPolarHBondContact O-CG2 3.48Å; E468-T525 PolarHBondContact O-N 3.32Å; E468-T525 PolarHBondContact O-OG1 3.23Å; T525-G527 PolarHBondContact O-N 2.97Å; T525-R547 WeakPolarHBondContact O-CD 3.26Å
526M96.6Very high93.7Very high70 Ų7039 Ų3935%0.34520%0.197SC..  trans-80.49-177.5-56.1-55.4-69.700113.5I270 M287I270-M526 HydrophobicContact CD1-CB 4.1Å; I270-M526 HydrophobicContact CD1-CG 3.84Å; M287-M526 HydrophobicContact CB-CB 4.06Å; M287-M526 HydrophobicContact CE-CB 4.44Å; M287-M526 WeakPolarHBondContact CE-O 3.45Å; M287-M526 PolarHBondContact O-N 2.95Å
527G95.3Very high93.2Very high0 Ų045.2 Ų45.20%023%0.227CC..  trans93.8-164.5-176.900000113.2M287 T525M287-G527 WeakPolarHBondContact CB-O 3.44Å; M287-G527 PolarHBondContact N-O 3.27Å; T525-G527 PolarHBondContact O-N 2.97Å
528Y95.2Very high93Very high2 Ų247.4 Ų47.41%0.00824%0.238CC..BIsolated β-bridgetrans-92140179.5-50.4-63.1000111.6K284 G285 V286 E468 K530 R534 N535 D538 F539K284-Y528 HydrophobicContact CD-CD1 3.82Å; K284-Y528 HydrophobicContact CD-CE1 3.61Å; K284-Y528 HydrophobicContact CG-CD1 4.31Å; K284-Y528 HydrophobicContact CG-CE1 4.44Å; K284-Y528 PolarHBondContact NZ-OH 3.47Å; G285-Y528 CarbonylContact O-C 3.41Å; G285-Y528 VanDerWaalsContact O-CA 3.32Å; G285-Y528 WeakPolarHBondContact O-CA 3.45Å; V286-Y528 HydrophobicContact CG2-CD1 3.98Å; V286-Y528 HydrophobicContact CG2-CE1 4Å; E468-Y528 HydrophobicContact CG-CE1 3.86Å; E468-Y528 WeakPolarHBondContact OE1-CE1 3.41Å; E468-Y528 PolarHBondContact OE1-OH 2.75Å; Y528-K530 PolarHBondContact O-N 2.94Å; Y528-R534 HydrophobicContact CD2-CB 3.75Å; Y528-R534 HydrophobicContact CE2-CB 3.95Å; Y528-N535 WeakPolarHBondContact CB-OD1 3.32Å; Y528-N535 WeakPolarHBondContact CD2-OD1 3.41Å; Y528-N535 PolarHBondContact N-OD1 2.87Å; Y528-N535 PolarHBondContact O-ND2 3.16Å; Y528-D538 HydrophobicContact CE2-CB 4.13Å; Y528-D538 WeakPolarHBondContact CE2-OD2 3.48Å; Y528-D538 PolarHBondContact OH-OD2 2.84Å; Y528-F539 HydrophobicContact CD2-CE2 4.28Å; Y528-F539 HydrophobicContact CE1-CE2 4.46Å; Y528-F539 HydrophobicContact CE2-CD2 4.47Å; Y528-F539 AromaticContact CE2-CE2 3.78Å; Y528-F539 HydrophobicContact CE2-CE2 3.78Å; Y528-F539 AromaticContact CZ-CE2 3.88Å
529Y94.4Very high92.9Very high43 Ų4347.3 Ų47.317%0.16924%0.237CC..THydrogen-bonded Turntrans-62.4129.2177.4-165.3-101000110.5N152 E195 T196 I273 G285 M287 S531N152-Y529 PolarHBondContact ND2-OH 2.8Å; E195-Y529 HydrophobicContact CG-CD1 4.17Å; E195-Y529 WeakPolarHBondContact O-CE1 3.4Å; T196-Y529 HydrophobicContact CG2-CD1 4.19Å; T196-Y529 HydrophobicContact CG2-CE1 4.1Å; I273-Y529 HydrophobicContact CD1-CD2 3.63Å; I273-Y529 HydrophobicContact CD1-CE2 3.62Å; I273-Y529 HydrophobicContact CD1-CG 4.38Å; I273-Y529 HydrophobicContact CG1-CD2 4.33Å; I273-Y529 HydrophobicContact CG2-CD2 4.47Å; I273-Y529 HydrophobicContact CG2-CG 4.33Å; G285-Y529 PolarHBondContact O-N 3.05Å; M287-Y529 HydrophobicContact CG-CD2 3.95Å; M287-Y529 HydrophobicContact CG-CG 4.49Å; M287-Y529 HydrophobicContact SD-CD2 3.7Å; M287-Y529 HydrophobicContact SD-CG 4.46Å; Y529-S531 PolarHBondContact O-N 2.86Å; Y529-S531 PolarHBondContact O-OG 3.33Å
530K91.9Very high92.8Very high113 Ų11351.3 Ų51.349%0.49126%0.255SS..THydrogen-bonded Turntrans48.732.9178.6-65.7179.3175.5175.30115.2E195 E197 Y528E195-K530 HydrophobicContact CG-CD 4.41Å; E195-K530 PolarHBondContact O-NZ 3.15Å; E197-K530 IonicContact OE1-NZ 2.6Å; E197-K530 PolarHBondContact OE1-NZ 3.41Å; Y528-K530 PolarHBondContact O-N 2.94Å
531S87Confident92.7Very high32 Ų3255.1 Ų55.122%0.22428%0.278CS..  trans-133.867.4-174.8-780000113Y529 G533 N535Y529-S531 PolarHBondContact O-N 2.86Å; Y529-S531 PolarHBondContact O-OG 3.33Å; S531-G533 PolarHBondContact O-N 3.37Å; S531-N535 PolarHBondContact O-N 2.9Å; S531-N535 VanDerWaalsContact O-N 3.16Å; S531-N535 PolarHBondContact O-ND2 2.95Å
532E85.4Confident92.6Very high153 Ų15357.1 Ų57.172%0.71529%0.288SS*.Hα-helixtrans-59.5-45.5-175.1-66-174.8169.400114R534 N535 H536E532-R534 PolarHBondContact O-N 3.45Å; E532-N535 WeakPolarHBondContact O-CB 3.42Å; E532-N535 PolarHBondContact O-N 3.35Å; E532-H536 PolarHBondContact O-CD2 2.73Å; E532-H536 PolarHBondContact O-N 2.65Å; E532-H536 VanDerWaalsContact O-N 3.1Å
533G84.3Confident92.3Very high50 Ų5060.8 Ų60.852%0.51532%0.322SS..Hα-helixtrans-56.5-48-178.200000113S531 N535 H536 E537S531-G533 PolarHBondContact O-N 3.37Å; G533-N535 VanDerWaalsContact C-N 3.32Å; G533-N535 PolarHBondContact O-N 3.31Å; G533-H536 PolarHBondContact O-N 3.29Å; G533-E537 PolarHBondContact O-N 2.69Å
534R82.8Confident92Very high101 Ų10170 Ų7038%0.38136%0.362SS..Hα-helixtrans-68.3-31.5176.9-67.4-174.7-175.5169.76.1112.8Y528 E532 H536 E537 D538Y528-R534 HydrophobicContact CD2-CB 3.75Å; Y528-R534 HydrophobicContact CE2-CB 3.95Å; E532-R534 PolarHBondContact O-N 3.45Å; R534-H536 VanDerWaalsContact C-N 3.28Å; R534-H536 PolarHBondContact O-N 2.81Å; R534-E537 PolarHBondContact O-N 3.06Å; R534-D538 WeakPolarHBondContact O-CB 3.49Å; R534-D538 PolarHBondContact O-N 3.08Å
535N88.9Confident91.6Very high34 Ų3472.6 Ų72.618%0.18239%0.389CS..Hα-helixtrans-63.4-38176.7-70.6-20.3000111.4Y528 S531 E532 G533 F539Y528-N535 WeakPolarHBondContact CB-OD1 3.32Å; Y528-N535 WeakPolarHBondContact CD2-OD1 3.41Å; Y528-N535 PolarHBondContact N-OD1 2.87Å; Y528-N535 PolarHBondContact O-ND2 3.16Å; S531-N535 PolarHBondContact O-N 2.9Å; S531-N535 VanDerWaalsContact O-N 3.16Å; S531-N535 PolarHBondContact O-ND2 2.95Å; E532-N535 WeakPolarHBondContact O-CB 3.42Å; E532-N535 PolarHBondContact O-N 3.35Å; G533-N535 VanDerWaalsContact C-N 3.32Å; G533-N535 PolarHBondContact O-N 3.31Å; N535-F539 WeakPolarHBondContact O-CA 3.24Å; N535-F539 WeakPolarHBondContact O-CB 3.23Å; N535-F539 PolarHBondContact O-N 2.85Å; N535-F539 VanDerWaalsContact O-O 3.09Å
536H88.7Confident91.4Very high154 Ų15474.5 Ų74.571%0.71340%0.398SS*.Hα-helixtrans-72.4-28.7176.2-70.5-65000113.7E532 G533 R534E532-H536 PolarHBondContact O-CD2 2.73Å; E532-H536 PolarHBondContact O-N 2.65Å; E532-H536 VanDerWaalsContact O-N 3.1Å; G533-H536 PolarHBondContact O-N 3.29Å; R534-H536 VanDerWaalsContact C-N 3.28Å; R534-H536 PolarHBondContact O-N 2.81Å
537E87.9Confident91.4Very high142 Ų14274.7 Ų74.766%0.66440%0.395SS*.Hα-helixtrans-76-46.4176.8-70172.8-18000112G533 R534G533-E537 PolarHBondContact O-N 2.69Å; R534-E537 PolarHBondContact O-N 3.06Å
538D93.3Very high91.5Very high45 Ų4575.5 Ų75.524%0.24140%0.398CS..Hα-helixtrans-93.9-22.8-169.1-72.5-10000113.4Y528 R534 F549 C550Y528-D538 HydrophobicContact CE2-CB 4.13Å; Y528-D538 WeakPolarHBondContact CE2-OD2 3.48Å; Y528-D538 PolarHBondContact OH-OD2 2.84Å; R534-D538 WeakPolarHBondContact O-CB 3.49Å; R534-D538 PolarHBondContact O-N 3.08Å; D538-F549 HydrophobicContact CB-CD2 4.24Å; D538-F549 HydrophobicContact CB-CE2 3.93Å; D538-F549 WeakPolarHBondContact O-CA 3.48Å; D538-F549 WeakPolarHBondContact O-CD2 3.4Å; D538-C550 PolarHBondContact O-N 3.05Å
539F96.3Very high91.6Very high11 Ų1175.6 Ų75.65%0.04840%0.398CS..EExtended strand (participates in β ladder)trans-126.5144.1-176.1-60.3-97.9000112.1E468 V524 Y528 N535 W548 F549E468-F539 HydrophobicContact CB-CE1 4.32Å; E468-F539 HydrophobicContact CB-CZ 3.85Å; E468-F539 HydrophobicContact CG-CZ 3.85Å; V524-F539 HydrophobicContact CG1-CD1 3.94Å; V524-F539 HydrophobicContact CG1-CE1 3.93Å; Y528-F539 HydrophobicContact CD2-CE2 4.28Å; Y528-F539 HydrophobicContact CE1-CE2 4.46Å; Y528-F539 HydrophobicContact CE2-CD2 4.47Å; Y528-F539 AromaticContact CE2-CE2 3.78Å; Y528-F539 HydrophobicContact CE2-CE2 3.78Å; Y528-F539 AromaticContact CZ-CE2 3.88Å; N535-F539 WeakPolarHBondContact O-CA 3.24Å; N535-F539 WeakPolarHBondContact O-CB 3.23Å; N535-F539 PolarHBondContact O-N 2.85Å; N535-F539 VanDerWaalsContact O-O 3.09Å; F539-W548 WeakPolarHBondContact CA-O 3.25Å; F539-F549 HydrophobicContact CD1-CB 4.01Å; F539-F549 AromaticContact CD1-CD2 3.86Å; F539-F549 HydrophobicContact CD1-CD2 3.86Å; F539-F549 HydrophobicContact CD1-CG 4.36Å; F539-F549 HydrophobicContact CD2-CD2 4.21Å; F539-F549 HydrophobicContact CE1-CB 3.92Å; F539-F549 AromaticContact CE1-CD2 3.46Å; F539-F549 HydrophobicContact CE1-CD2 3.46Å; F539-F549 VanDerWaalsContact CE1-CD2 3.46Å; F539-F549 HydrophobicContact CE1-CE2 4.29Å; F539-F549 AromaticContact CE1-CG 3.95Å; F539-F549 HydrophobicContact CE1-CG 3.95Å; F539-F549 AromaticContact CE2-CD2 3.82Å; F539-F549 HydrophobicContact CE2-CD2 3.82Å; F539-F549 HydrophobicContact CE2-CE2 4Å; F539-F549 HydrophobicContact CG-CD2 4.23Å; F539-F549 AromaticContact CZ-CD2 3.44Å; F539-F549 HydrophobicContact CZ-CD2 3.44Å; F539-F549 VanDerWaalsContact CZ-CD2 3.44Å; F539-F549 AromaticContact CZ-CE2 3.81Å; F539-F549 HydrophobicContact CZ-CE2 3.81Å; F539-F549 HydrophobicContact CZ-CG 4.29Å
540F96.1Very high91.8Very high84 Ų8474.3 Ų74.337%0.36840%0.395SS..EExtended strand (participates in β ladder)trans-145.4163.8170.666.7-85.6000111L518 R547 W548L518-F540 HydrophobicContact CD2-CE1 3.91Å; L518-F540 HydrophobicContact CD2-CZ 3.97Å; F540-R547 WeakPolarHBondContact O-CA 3.47Å; F540-W548 HydrophobicContact CD1-CB 3.91Å; F540-W548 HydrophobicContact CD2-CB 4.07Å; F540-W548 HydrophobicContact CD2-CG 4.37Å; F540-W548 HydrophobicContact CE1-CB 3.45Å; F540-W548 VanDerWaalsContact CE1-CB 3.45Å; F540-W548 HydrophobicContact CE1-CG 4.25Å; F540-W548 HydrophobicContact CE2-CB 3.63Å; F540-W548 AromaticContact CE2-CD1 3.62Å; F540-W548 AromaticContact CE2-CG 3.65Å; F540-W548 HydrophobicContact CE2-CG 3.65Å; F540-W548 HydrophobicContact CG-CB 4.2Å; F540-W548 HydrophobicContact CZ-CB 3.3Å; F540-W548 HydrophobicContact CZ-CD2 4.24Å; F540-W548 AromaticContact CZ-CG 3.58Å; F540-W548 HydrophobicContact CZ-CG 3.58Å; F540-W548 PolarHBondContact N-O 3.12Å; F540-W548 VanDerWaalsContact N-O 3.12Å; F540-W548 PolarHBondContact O-N 3.5Å
541V96Very high91.9Very high80 Ų8069.4 Ų69.449%0.48538%0.375SS..EExtended strand (participates in β ladder)trans-117.2129174.3-1790000107.6Q546 R547V541-Q546 WeakPolarHBondContact CA-O 3.37Å; V541-R547 HydrophobicContact CG2-CB 4.42Å; V541-R547 HydrophobicContact CG2-CG 4.44Å
542D94.1Very high92.2Very high44 Ų4468.7 Ų68.724%0.23537%0.373CS..  trans-80175.6179.473.716.1000112.5K544 G545 Q546 W548D542-K544 PolarHBondContact O-N 2.71Å; D542-K544 VanDerWaalsContact OD1-CA 3.32Å; D542-K544 WeakPolarHBondContact OD1-CA 3.48Å; D542-K544 WeakPolarHBondContact OD1-CB 3.17Å; D542-K544 PolarHBondContact OD1-N 3.03Å; D542-G545 PolarHBondContact O-N 3.23Å; D542-G545 PolarHBondContact OD1-N 3.16Å; D542-G545 VanDerWaalsContact OD1-N 3.16Å; D542-Q546 PolarHBondContact N-O 2.63Å; D542-Q546 PolarHBondContact OD1-N 3.45Å; D542-W548 PolarHBondContact OD2-NE1 3.38Å
543A92Very high92.5Very high117 Ų11762.2 Ų62.297%0.96734%0.343SS*.THydrogen-bonded Turntrans-61.9-15.1179.900000114.2
544K89.3Confident93Very high194 Ų19459.8 Ų59.884%0.84332%0.319SS*.THydrogen-bonded Turntrans-95.22.6176.9-59.8178.2-177.3174.30112.2D542 Q546D542-K544 PolarHBondContact O-N 2.71Å; D542-K544 VanDerWaalsContact OD1-CA 3.32Å; D542-K544 WeakPolarHBondContact OD1-CA 3.48Å; D542-K544 WeakPolarHBondContact OD1-CB 3.17Å; D542-K544 PolarHBondContact OD1-N 3.03Å; K544-Q546 VanDerWaalsContact C-N 3.29Å
545G91.4Very high93.6Very high56 Ų5655 Ų5558%0.57730%0.3SS*.SBendtrans79.48.1-176.700000113.9D542D542-G545 PolarHBondContact O-N 3.23Å; D542-G545 PolarHBondContact OD1-N 3.16Å; D542-G545 VanDerWaalsContact OD1-N 3.16Å
546Q93.6Very high93.9Very high39 Ų3954.7 Ų54.718%0.18230%0.298CS..  trans-79.3128.9176.7177.758.874.400109.3G521 V541 D542 K544G521-Q546 PolarHBondContact O-NE2 2.88Å; G521-Q546 VanDerWaalsContact O-NE2 3.12Å; V541-Q546 WeakPolarHBondContact CA-O 3.37Å; D542-Q546 PolarHBondContact N-O 2.63Å; D542-Q546 PolarHBondContact OD1-N 3.45Å; K544-Q546 VanDerWaalsContact C-N 3.29Å
547R95.7Very high94.3Very high75 Ų7547.4 Ų47.428%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-80.3138172.9-170175-73.1-97.4-3.3110.8G520 G521 V524 T525 F540 V541G520-R547 WeakPolarHBondContact CA-O 3.2Å; G521-R547 PolarHBondContact N-O 2.64Å; V524-R547 HydrophobicContact CB-CB 4.47Å; V524-R547 HydrophobicContact CB-CG 4.36Å; V524-R547 HydrophobicContact CG1-CB 4.4Å; V524-R547 HydrophobicContact CG1-CG 3.79Å; T525-R547 WeakPolarHBondContact O-CD 3.26Å; F540-R547 WeakPolarHBondContact O-CA 3.47Å; V541-R547 HydrophobicContact CG2-CB 4.42Å; V541-R547 HydrophobicContact CG2-CG 4.44Å
548W97.6Very high94.7Very high16 Ų1642.6 Ų42.66%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-126.1148.6-179.8-68.587.1000110.7P58 E494 T496 L518 I519 G520 F539 F540 D542P58-W548 HydrophobicContact CB-CH2 4.16Å; E494-W548 HydrophobicContact CG-CH2 3.54Å; E494-W548 HydrophobicContact CG-CZ2 3.98Å; E494-W548 HydrophobicContact CG-CZ3 4.22Å; E494-W548 WeakPolarHBondContact OE1-CZ2 3.3Å; T496-W548 WeakPolarHBondContact OG1-CH2 3.34Å; T496-W548 WeakPolarHBondContact OG1-CZ3 3.39Å; L518-W548 HydrophobicContact CB-CE3 4.16Å; I519-W548 CarbonylContact O-C 3.34Å; I519-W548 WeakPolarHBondContact O-CA 3.48Å; G520-W548 VanDerWaalsContact CA-CE3 3.46Å; G520-W548 VanDerWaalsContact N-CE3 3.27Å; F539-W548 WeakPolarHBondContact CA-O 3.25Å; F540-W548 HydrophobicContact CD1-CB 3.91Å; F540-W548 HydrophobicContact CD2-CB 4.07Å; F540-W548 HydrophobicContact CD2-CG 4.37Å; F540-W548 HydrophobicContact CE1-CB 3.45Å; F540-W548 VanDerWaalsContact CE1-CB 3.45Å; F540-W548 HydrophobicContact CE1-CG 4.25Å; F540-W548 HydrophobicContact CE2-CB 3.63Å; F540-W548 AromaticContact CE2-CD1 3.62Å; F540-W548 AromaticContact CE2-CG 3.65Å; F540-W548 HydrophobicContact CE2-CG 3.65Å; F540-W548 HydrophobicContact CG-CB 4.2Å; F540-W548 HydrophobicContact CZ-CB 3.3Å; F540-W548 HydrophobicContact CZ-CD2 4.24Å; F540-W548 AromaticContact CZ-CG 3.58Å; F540-W548 HydrophobicContact CZ-CG 3.58Å; F540-W548 PolarHBondContact N-O 3.12Å; F540-W548 VanDerWaalsContact N-O 3.12Å; F540-W548 PolarHBondContact O-N 3.5Å; D542-W548 PolarHBondContact OD2-NE1 3.38Å
549F97.9Very high94.7Very high4 Ų445.8 Ų45.82%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-124.5126.3175.9173.4-116.8000110.7L466 E468 T469 L518 I519 V524 D538 F539 T551L466-F549 HydrophobicContact CB-CE1 4.33Å; L466-F549 HydrophobicContact CD1-CE1 4.18Å; L466-F549 HydrophobicContact CD2-CE1 4.13Å; L466-F549 HydrophobicContact CG-CE1 4.44Å; E468-F549 HydrophobicContact CB-CD1 3.85Å; E468-F549 HydrophobicContact CB-CD2 3.96Å; E468-F549 HydrophobicContact CB-CE1 3.55Å; E468-F549 HydrophobicContact CB-CE2 3.67Å; E468-F549 HydrophobicContact CB-CG 4.04Å; E468-F549 HydrophobicContact CB-CZ 3.47Å; E468-F549 VanDerWaalsContact CB-CZ 3.47Å; E468-F549 HydrophobicContact CG-CD2 4.35Å; E468-F549 HydrophobicContact CG-CE1 4.14Å; E468-F549 HydrophobicContact CG-CE2 3.65Å; E468-F549 HydrophobicContact CG-CZ 3.53Å; T469-F549 HydrophobicContact CG2-CD1 3.74Å; T469-F549 HydrophobicContact CG2-CE1 4.47Å; T469-F549 HydrophobicContact CG2-CG 4.48Å; L518-F549 WeakPolarHBondContact CA-O 3.5Å; I519-F549 PolarHBondContact N-O 2.82Å; I519-F549 PolarHBondContact O-N 3.05Å; V524-F549 HydrophobicContact CG1-CB 3.83Å; D538-F549 HydrophobicContact CB-CD2 4.24Å; D538-F549 HydrophobicContact CB-CE2 3.93Å; D538-F549 WeakPolarHBondContact O-CA 3.48Å; D538-F549 WeakPolarHBondContact O-CD2 3.4Å; F539-F549 HydrophobicContact CD1-CB 4.01Å; F539-F549 AromaticContact CD1-CD2 3.86Å; F539-F549 HydrophobicContact CD1-CD2 3.86Å; F539-F549 HydrophobicContact CD1-CG 4.36Å; F539-F549 HydrophobicContact CD2-CD2 4.21Å; F539-F549 HydrophobicContact CE1-CB 3.92Å; F539-F549 AromaticContact CE1-CD2 3.46Å; F539-F549 HydrophobicContact CE1-CD2 3.46Å; F539-F549 VanDerWaalsContact CE1-CD2 3.46Å; F539-F549 HydrophobicContact CE1-CE2 4.29Å; F539-F549 AromaticContact CE1-CG 3.95Å; F539-F549 HydrophobicContact CE1-CG 3.95Å; F539-F549 AromaticContact CE2-CD2 3.82Å; F539-F549 HydrophobicContact CE2-CD2 3.82Å; F539-F549 HydrophobicContact CE2-CE2 4Å; F539-F549 HydrophobicContact CG-CD2 4.23Å; F539-F549 AromaticContact CZ-CD2 3.44Å; F539-F549 HydrophobicContact CZ-CD2 3.44Å; F539-F549 VanDerWaalsContact CZ-CD2 3.44Å; F539-F549 AromaticContact CZ-CE2 3.81Å; F539-F549 HydrophobicContact CZ-CE2 3.81Å; F539-F549 HydrophobicContact CZ-CG 4.29Å; F549-T551 HydrophobicContact CD1-CG2 3.81Å; F549-T551 HydrophobicContact CE1-CG2 3.9Å; F549-T551 PolarHBondContact O-N 3.44Å
550C96.9Very high94.5Very high16 Ų1646.4 Ų46.411%0.10827%0.269CS..EExtended strand (participates in β ladder)trans-81.6107.3172.4-61.70000108.9D538 G552D538-C550 PolarHBondContact O-N 3.05Å; C550-G552 VanDerWaalsContact C-N 3.33Å; C550-G552 PolarHBondContact O-N 3.35Å
551T94.7Very high94.4Very high10 Ų1042.5 Ų42.56%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-74.9-23.4-169.464.60000113.9Y464 L466 I517 I519 F549 D553Y464-T551 WeakPolarHBondContact OH-CB 3.5Å; Y464-T551 WeakPolarHBondContact OH-CG2 3.49Å; Y464-T551 PolarHBondContact OH-OG1 2.95Å; L466-T551 HydrophobicContact CD1-CG2 3.83Å; I517-T551 HydrophobicContact CB-CG2 4.41Å; I517-T551 WeakPolarHBondContact CB-OG1 3.31Å; I517-T551 HydrophobicContact CG2-CG2 4.21Å; I517-T551 WeakPolarHBondContact O-CB 3.3Å; I517-T551 WeakPolarHBondContact O-CG2 3.47Å; I517-T551 PolarHBondContact O-N 3.29Å; I517-T551 VanDerWaalsContact O-N 3.12Å; I517-T551 PolarHBondContact O-OG1 3.29Å; I519-T551 HydrophobicContact CD1-CG2 3.96Å; I519-T551 HydrophobicContact CG1-CG2 4Å; F549-T551 HydrophobicContact CD1-CG2 3.81Å; F549-T551 HydrophobicContact CE1-CG2 3.9Å; F549-T551 PolarHBondContact O-N 3.44Å; T551-D553 PolarHBondContact O-N 3.3Å; T551-D553 PolarHBondContact OG1-N 3.46Å; T551-D553 VanDerWaalsContact OG1-N 3.12Å; T551-D553 PolarHBondContact OG1-O 3.4Å
552G92.6Very high94.4Very high18 Ų1838.7 Ų38.719%0.18623%0.228CC..EExtended strand (participates in β ladder)trans68.84.9-167.700000114.2E516 C550 K569E516-G552 WeakPolarHBondContact OE1-CA 3.43Å; E516-G552 PolarHBondContact OE1-N 2.87Å; C550-G552 VanDerWaalsContact C-N 3.33Å; C550-G552 PolarHBondContact O-N 3.35Å; G552-K569 WeakPolarHBondContact O-CB 3.42Å; G552-K569 WeakPolarHBondContact O-CG 3.42Å; G552-K569 PolarHBondContact O-N 3.38Å
553D93.3Very high94.5Very high16 Ų1636.6 Ų36.69%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-100.7144.6176-61.6-34.8000109.6Y464 E516 I517 T551 R568Y464-D553 HydrophobicContact CE2-CB 4.47Å; Y464-D553 WeakPolarHBondContact CE2-OD2 3.42Å; Y464-D553 WeakPolarHBondContact OH-CB 3.25Å; Y464-D553 PolarHBondContact OH-OD2 2.84Å; Y464-D553 VanDerWaalsContact OH-OD2 3.05Å; E516-D553 WeakPolarHBondContact CA-O 3.5Å; I517-D553 HydrophobicContact CD1-CB 4.28Å; I517-D553 PolarHBondContact N-O 3.28Å; T551-D553 PolarHBondContact O-N 3.3Å; T551-D553 PolarHBondContact OG1-N 3.46Å; T551-D553 VanDerWaalsContact OG1-N 3.12Å; T551-D553 PolarHBondContact OG1-O 3.4Å; D553-R568 WeakPolarHBondContact OD1-CD 3.05Å; D553-R568 WeakPolarHBondContact OD1-CG 3.33Å; D553-R568 IonicContact OD1-NE 2.61Å; D553-R568 PolarHBondContact OD1-NE 3.02Å
554I94Very high94.6Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-101.5128.8-177.7-51.3-54.6000109.6W500 Y505 G515 E516 I566 D567 K569W500-I554 HydrophobicContact CD2-CD1 4.35Å; W500-I554 HydrophobicContact CE3-CD1 3.55Å; W500-I554 HydrophobicContact CE3-CG1 4.01Å; W500-I554 HydrophobicContact CZ3-CD1 4.09Å; W500-I554 HydrophobicContact CZ3-CG1 4.11Å; Y505-I554 HydrophobicContact CD1-CG2 3.83Å; Y505-I554 HydrophobicContact CD2-CG1 4.45Å; Y505-I554 HydrophobicContact CD2-CG2 4.01Å; Y505-I554 HydrophobicContact CE1-CG2 4.1Å; Y505-I554 HydrophobicContact CE2-CG1 4.44Å; Y505-I554 HydrophobicContact CE2-CG2 4.26Å; Y505-I554 HydrophobicContact CG-CG2 3.78Å; G515-I554 CarbonylContact O-C 3.53Å; G515-I554 WeakPolarHBondContact O-CA 3.37Å; G515-I554 WeakPolarHBondContact O-CG2 3.47Å; E516-I554 HydrophobicContact CB-CD1 4.11Å; I554-I566 HydrophobicContact CB-CG1 4.1Å; I554-I566 HydrophobicContact CG2-CD1 3.76Å; I554-I566 HydrophobicContact CG2-CG1 3.68Å; I554-I566 WeakPolarHBondContact O-CG1 3.33Å; I554-I566 PolarHBondContact O-N 2.97Å; I554-D567 HydrophobicContact CB-CB 3.8Å; I554-D567 HydrophobicContact CG1-CB 3.96Å; I554-D567 PolarHBondContact N-O 2.88Å; I554-D567 PolarHBondContact O-N 3.43Å; I554-K569 HydrophobicContact CD1-CG 3.83Å; I554-K569 HydrophobicContact CG1-CG 4.47Å
555G95.5Very high94.8Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-118.3157.9-176.500000113.5R514 G515 K564R514-G555 VanDerWaalsContact CA-O 3.24Å; R514-G555 WeakPolarHBondContact CA-O 3.43Å; G515-G555 PolarHBondContact N-O 2.9Å; G515-G555 VanDerWaalsContact N-O 3.11Å; G515-G555 PolarHBondContact O-N 2.84Å; G555-K564 CarbonylContact C-O 3.57Å; G555-K564 VanDerWaalsContact CA-O 3.3Å; G555-K564 WeakPolarHBondContact CA-O 3.31Å
556E95.6Very high94.6Very high27 Ų2726.3 Ų26.313%0.12614%0.138CC..EExtended strand (participates in β ladder)trans-128.6121.1172.3-179.9-172.3174.300108.3N512 P513 R514 K564 I566N512-E556 HydrophobicContact CB-CG 3.56Å; N512-E556 WeakPolarHBondContact CB-OE1 2.79Å; N512-E556 PolarHBondContact ND2-OE1 2.84Å; P513-E556 WeakPolarHBondContact O-CA 3.38Å; R514-E556 HydrophobicContact CG-CB 4.22Å; R514-E556 HydrophobicContact CG-CG 4.15Å; E556-K564 HydrophobicContact CB-CB 4.4Å; E556-K564 PolarHBondContact N-O 3.45Å; E556-K564 PolarHBondContact O-N 2.71Å; E556-K564 IonicContact OE2-NZ 2.75Å; E556-K564 PolarHBondContact OE2-NZ 3.46Å; E556-I566 HydrophobicContact CB-CD1 4.32Å; E556-I566 HydrophobicContact CB-CG2 3.86Å
557F97.1Very high94Very high1 Ų125.1 Ų25.10%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-90.6125.2175.3-88.7-69.1000111.4Y59 P489 I495 L497 N512 P513 L563Y59-F557 HydrophobicContact CD1-CD1 4.04Å; Y59-F557 HydrophobicContact CD1-CD2 4.49Å; Y59-F557 HydrophobicContact CD1-CE1 4.14Å; Y59-F557 HydrophobicContact CD1-CG 4.23Å; Y59-F557 HydrophobicContact CD1-CZ 4.42Å; Y59-F557 HydrophobicContact CD2-CD1 4.46Å; Y59-F557 AromaticContact CD2-CD2 3.57Å; Y59-F557 HydrophobicContact CD2-CD2 3.57Å; Y59-F557 HydrophobicContact CD2-CE1 4.34Å; Y59-F557 AromaticContact CD2-CE2 3.42Å; Y59-F557 HydrophobicContact CD2-CE2 3.42Å; Y59-F557 VanDerWaalsContact CD2-CE2 3.42Å; Y59-F557 HydrophobicContact CD2-CG 4.12Å; Y59-F557 AromaticContact CD2-CZ 3.84Å; Y59-F557 HydrophobicContact CD2-CZ 3.84Å; Y59-F557 HydrophobicContact CE1-CB 4.23Å; Y59-F557 HydrophobicContact CE1-CD1 4.19Å; Y59-F557 HydrophobicContact CE1-CD2 4.41Å; Y59-F557 HydrophobicContact CE1-CG 4.04Å; Y59-F557 HydrophobicContact CE2-CB 4.38Å; Y59-F557 AromaticContact CE2-CD2 3.48Å; Y59-F557 HydrophobicContact CE2-CD2 3.48Å; Y59-F557 VanDerWaalsContact CE2-CD2 3.48Å; Y59-F557 AromaticContact CE2-CE2 3.85Å; Y59-F557 HydrophobicContact CE2-CE2 3.85Å; Y59-F557 AromaticContact CE2-CG 3.93Å; Y59-F557 HydrophobicContact CE2-CG 3.93Å; Y59-F557 HydrophobicContact CG-CD1 4.18Å; Y59-F557 HydrophobicContact CG-CD2 4.1Å; Y59-F557 AromaticContact CG-CE1 3.93Å; Y59-F557 HydrophobicContact CG-CE1 3.93Å; Y59-F557 AromaticContact CG-CE2 3.85Å; Y59-F557 HydrophobicContact CG-CE2 3.85Å; Y59-F557 HydrophobicContact CG-CG 4.27Å; Y59-F557 AromaticContact CG-CZ 3.77Å; Y59-F557 HydrophobicContact CG-CZ 3.77Å; Y59-F557 AromaticContact CZ-CD2 3.93Å; Y59-F557 AromaticContact CZ-CG 3.89Å; P489-F557 HydrophobicContact CG-CE1 4.49Å; I495-F557 HydrophobicContact CB-CE2 4.36Å; I495-F557 HydrophobicContact CB-CZ 3.88Å; I495-F557 HydrophobicContact CG2-CE2 3.81Å; I495-F557 HydrophobicContact CG2-CZ 3.67Å; L497-F557 HydrophobicContact CD1-CD2 3.78Å; L497-F557 HydrophobicContact CD2-CD2 4.16Å; L497-F557 HydrophobicContact CD2-CE2 4.19Å; L497-F557 HydrophobicContact CG-CD2 3.86Å; L497-F557 HydrophobicContact CG-CE2 4.09Å; N512-F557 WeakPolarHBondContact CB-O 3.37Å; P513-F557 WeakPolarHBondContact CD-O 3.2Å; P513-F557 HydrophobicContact CG-CB 3.97Å; P513-F557 PolarHBondContact O-N 2.69Å; P513-F557 VanDerWaalsContact O-N 3.15Å; F557-L563 HydrophobicContact CD1-CB 4.28Å; F557-L563 HydrophobicContact CD1-CD1 4.27Å; F557-L563 HydrophobicContact CD2-CD1 4.16Å; F557-L563 HydrophobicContact CE1-CB 3.89Å; F557-L563 HydrophobicContact CE1-CD1 4.1Å; F557-L563 HydrophobicContact CE2-CD1 3.98Å; F557-L563 HydrophobicContact CG-CD1 4.28Å; F557-L563 HydrophobicContact CZ-CB 4.34Å; F557-L563 HydrophobicContact CZ-CD1 3.94Å
558H95.2Very high93.4Very high42 Ų4226.1 Ų26.119%0.19414%0.136CC..  trans-80.7162.1173.4-74.2-100000111.8D560 G561 C562H558-D560 VanDerWaalsContact CB-OD1 3.3Å; H558-D560 WeakPolarHBondContact CB-OD1 3.21Å; H558-D560 PolarHBondContact O-N 2.83Å; H558-D560 VanDerWaalsContact O-N 3.08Å; H558-G561 PolarHBondContact O-N 3.32Å; H558-C562 PolarHBondContact N-O 3.11Å
559P93.1Very high92.7Very high111 Ų11128 Ų2872%0.72115%0.145SC*.THydrogen-bonded Turntrans-59.6-23-179.1-26.235.9000114.9G561P559-G561 VanDerWaalsContact C-N 3.28Å
560D93.4Very high91.7Very high25 Ų2534.9 Ų34.913%0.13418%0.175CC..THydrogen-bonded Turntrans-85.43.8175.669.3-26.2000113.5K47 A48 R485 H558 C562K47-D560 PolarHBondContact N-O 3.15Å; K47-D560 IonicContact NZ-OD2 3.19Å; K47-D560 PolarHBondContact NZ-OD2 2.95Å; A48-D560 PolarHBondContact N-O 3.26Å; R485-D560 IonicContact CZ-OD1 3.25Å; R485-D560 IonicContact CZ-OD2 2.74Å; R485-D560 IonicContact NH1-OD1 2.9Å; R485-D560 PolarHBondContact NH1-OD1 3.07Å; R485-D560 IonicContact NH1-OD2 2.89Å; R485-D560 PolarHBondContact NH1-OD2 2.6Å; R485-D560 IonicContact NH2-OD1 2.66Å; R485-D560 IonicContact NH2-OD2 3.67Å; R485-D560 PolarHBondContact NH2-OD2 2.83Å; H558-D560 VanDerWaalsContact CB-OD1 3.3Å; H558-D560 WeakPolarHBondContact CB-OD1 3.21Å; H558-D560 PolarHBondContact O-N 2.83Å; H558-D560 VanDerWaalsContact O-N 3.08Å; D560-C562 VanDerWaalsContact C-N 3.32Å; D560-C562 WeakPolarHBondContact OD1-CB 3.46Å; D560-C562 PolarHBondContact OD1-N 3.31Å; D560-C562 PolarHBondContact OD2-SG 3.08Å
561G93.9Very high90.6Very high1 Ų135.5 Ų35.51%0.0118%0.177CC..SBendtrans81.26.3-179.400000114.6A48 H558 P559A48-G561 VanDerWaalsContact O-CA 3.3Å; A48-G561 WeakPolarHBondContact O-CA 3.21Å; H558-G561 PolarHBondContact O-N 3.32Å; P559-G561 VanDerWaalsContact C-N 3.28Å
562C95.7Very high89.7Confident0 Ų035.9 Ų35.90%018%0.179CC..  trans-75.7136.2171.9-69.20000110.9G487 H558 D560G487-C562 WeakPolarHBondContact O-CA 3.42Å; H558-C562 PolarHBondContact N-O 3.11Å; D560-C562 VanDerWaalsContact C-N 3.32Å; D560-C562 WeakPolarHBondContact OD1-CB 3.46Å; D560-C562 PolarHBondContact OD1-N 3.31Å; D560-C562 PolarHBondContact OD2-SG 3.08Å
563L96.7Very high89Confident0 Ų036.1 Ų36.10%018%0.177CC..EExtended strand (participates in β ladder)trans-86.5143.2172.1-174.664.4000110.3Y464 T474 V486 G487 I495 I517 F557 I565Y464-L563 HydrophobicContact CD1-CD2 4.18Å; Y464-L563 HydrophobicContact CE1-CD2 4.38Å; T474-L563 HydrophobicContact CG2-CB 4.1Å; T474-L563 HydrophobicContact CG2-CD2 3.89Å; V486-L563 HydrophobicContact CG2-CB 3.96Å; V486-L563 HydrophobicContact CG2-CD2 4.23Å; V486-L563 HydrophobicContact CG2-CG 4.07Å; V486-L563 VanDerWaalsContact CG2-O 3.23Å; V486-L563 WeakPolarHBondContact CG2-O 3.3Å; V486-L563 PolarHBondContact N-O 3.15Å; G487-L563 PolarHBondContact O-N 3.31Å; I495-L563 HydrophobicContact CD1-CD2 4.17Å; I517-L563 HydrophobicContact CD1-CD1 4.38Å; I517-L563 HydrophobicContact CD1-CD2 3.95Å; I517-L563 HydrophobicContact CG1-CD1 4.37Å; I517-L563 HydrophobicContact CG1-CD2 4.34Å; I517-L563 HydrophobicContact CG2-CD2 4.39Å; F557-L563 HydrophobicContact CD1-CB 4.28Å; F557-L563 HydrophobicContact CD1-CD1 4.27Å; F557-L563 HydrophobicContact CD2-CD1 4.16Å; F557-L563 HydrophobicContact CE1-CB 3.89Å; F557-L563 HydrophobicContact CE1-CD1 4.1Å; F557-L563 HydrophobicContact CE2-CD1 3.98Å; F557-L563 HydrophobicContact CG-CD1 4.28Å; F557-L563 HydrophobicContact CZ-CB 4.34Å; F557-L563 HydrophobicContact CZ-CD1 3.94Å; L563-I565 HydrophobicContact CD2-CD1 3.98Å; L563-I565 HydrophobicContact CG-CD1 4.23Å
564K94.6Very high88.2Confident70 Ų7039.9 Ų39.930%0.30419%0.192SC..EExtended strand (participates in β ladder)trans-123.1129.2166.8172.9176.7171.3-147.40108.5G484 R485 G555 E556 I566G484-K564 WeakPolarHBondContact O-CD 3.32Å; G484-K564 VanDerWaalsContact O-CG 3.31Å; G484-K564 WeakPolarHBondContact O-CG 3.42Å; R485-K564 HydrophobicContact CG-CB 4.26Å; G555-K564 CarbonylContact C-O 3.57Å; G555-K564 VanDerWaalsContact CA-O 3.3Å; G555-K564 WeakPolarHBondContact CA-O 3.31Å; E556-K564 HydrophobicContact CB-CB 4.4Å; E556-K564 PolarHBondContact N-O 3.45Å; E556-K564 PolarHBondContact O-N 2.71Å; E556-K564 IonicContact OE2-NZ 2.75Å; E556-K564 PolarHBondContact OE2-NZ 3.46Å; K564-I566 HydrophobicContact CD-CG2 4.13Å; K564-I566 HydrophobicContact CG-CG2 3.92Å
565I91.8Very high87.5Confident48 Ų4840 Ų4025%0.24619%0.193CC..EExtended strand (participates in β ladder)trans-80.1124.1171.4-47.3-55.7000107.2Y464 V486 I517 L563Y464-I565 HydrophobicContact CD1-CD1 3.91Å; Y464-I565 HydrophobicContact CD2-CD1 3.72Å; Y464-I565 HydrophobicContact CD2-CG1 3.89Å; Y464-I565 HydrophobicContact CE1-CD1 3.97Å; Y464-I565 HydrophobicContact CE2-CD1 3.8Å; Y464-I565 HydrophobicContact CE2-CG1 4.26Å; Y464-I565 HydrophobicContact CG-CD1 3.76Å; Y464-I565 HydrophobicContact CG-CG1 4.17Å; V486-I565 HydrophobicContact CG1-CG1 3.99Å; V486-I565 HydrophobicContact CG2-CD1 4.03Å; V486-I565 HydrophobicContact CG2-CG1 3.97Å; I517-I565 HydrophobicContact CD1-CD1 3.36Å; L563-I565 HydrophobicContact CD2-CD1 3.98Å; L563-I565 HydrophobicContact CG-CD1 4.23Å
566I87.5Confident86.4Confident33 Ų3346.7 Ų46.717%0.16922%0.224CC..EExtended strand (participates in β ladder)trans-112.3-26.8-177.758.2170.1000112.2Y505 R514 I554 E556 K564Y505-I566 HydrophobicContact CD1-CD1 3.92Å; Y505-I566 HydrophobicContact CE1-CD1 3.67Å; R514-I566 HydrophobicContact CB-CD1 4.33Å; R514-I566 HydrophobicContact CG-CD1 4.12Å; I554-I566 HydrophobicContact CB-CG1 4.1Å; I554-I566 HydrophobicContact CG2-CD1 3.76Å; I554-I566 HydrophobicContact CG2-CG1 3.68Å; I554-I566 WeakPolarHBondContact O-CG1 3.33Å; I554-I566 PolarHBondContact O-N 2.97Å; E556-I566 HydrophobicContact CB-CD1 4.32Å; E556-I566 HydrophobicContact CB-CG2 3.86Å; K564-I566 HydrophobicContact CD-CG2 4.13Å; K564-I566 HydrophobicContact CG-CG2 3.92Å
567D80.9Confident85Confident14 Ų1448.7 Ų48.78%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-159.8177.5-179.3-128.4-47.1000114.1Y505 I554 L572 S582Y505-D567 PolarHBondContact OH-OD2 3.2Å; I554-D567 HydrophobicContact CB-CB 3.8Å; I554-D567 HydrophobicContact CG1-CB 3.96Å; I554-D567 PolarHBondContact N-O 2.88Å; I554-D567 PolarHBondContact O-N 3.43Å; D567-L572 HydrophobicContact CB-CD1 4.38Å; D567-L572 WeakPolarHBondContact OD2-CD1 3.46Å; D567-S582 WeakPolarHBondContact OD1-CB 3.49Å; D567-S582 PolarHBondContact OD1-OG 3.39Å; D567-S582 WeakPolarHBondContact OD2-CB 3.11Å; D567-S582 PolarHBondContact OD2-OG 3.43Å
568R83.5Confident83.2Confident96 Ų9650.1 Ų50.136%0.36226%0.261SS..EExtended strand (participates in β ladder)trans-136.6128.5169.9-179171.2-152.2-160.31109.5D553 K570 D571 L572D553-R568 WeakPolarHBondContact OD1-CD 3.05Å; D553-R568 WeakPolarHBondContact OD1-CG 3.33Å; D553-R568 IonicContact OD1-NE 2.61Å; D553-R568 PolarHBondContact OD1-NE 3.02Å; R568-K570 PolarHBondContact O-N 3.45Å; R568-D571 HydrophobicContact CB-CB 4.11Å; R568-D571 VanDerWaalsContact CD-OD2 3.3Å; R568-D571 WeakPolarHBondContact CD-OD2 3.44Å; R568-D571 PolarHBondContact O-N 3.34Å; R568-L572 PolarHBondContact O-N 2.85Å
569K83.1Confident82.1Confident56 Ų5651.7 Ų51.724%0.24327%0.268CS..THydrogen-bonded Turntrans-50.8-36.3-176.1-71.4-173.2175.5176.10113.3W500 E516 G552 I554W500-K569 HydrophobicContact CD2-CD 4.21Å; W500-K569 HydrophobicContact CD2-CG 4.03Å; W500-K569 HydrophobicContact CE3-CG 3.91Å; W500-K569 HydrophobicContact CH2-CB 4.06Å; W500-K569 HydrophobicContact CH2-CG 3.86Å; W500-K569 HydrophobicContact CZ2-CB 4.23Å; W500-K569 HydrophobicContact CZ2-CD 4.38Å; W500-K569 HydrophobicContact CZ2-CG 3.96Å; W500-K569 HydrophobicContact CZ3-CB 4.4Å; W500-K569 HydrophobicContact CZ3-CG 3.82Å; E516-K569 VanDerWaalsContact CD-CE 3.47Å; E516-K569 WeakPolarHBondContact OE1-CE 3.43Å; E516-K569 IonicContact OE1-NZ 3.73Å; E516-K569 PolarHBondContact OE1-NZ 3.5Å; E516-K569 IonicContact OE2-NZ 2.75Å; E516-K569 PolarHBondContact OE2-NZ 2.95Å; G552-K569 WeakPolarHBondContact O-CB 3.42Å; G552-K569 WeakPolarHBondContact O-CG 3.42Å; G552-K569 PolarHBondContact O-N 3.38Å; I554-K569 HydrophobicContact CD1-CG 3.83Å; I554-K569 HydrophobicContact CG1-CG 4.47Å
570K76.6Confident81.2Confident148 Ų14850 Ų5064%0.64325%0.248SC*.THydrogen-bonded Turntrans-80.4-22.3179.8-63.5-176.2-178.4176.10114.5R568R568-K570 PolarHBondContact O-N 3.45Å
571D73.7Confident80.6Confident29 Ų2948.9 Ų48.916%0.15524%0.242CC..THydrogen-bonded Turntrans-98.1-8.8179.5-64.9-33.9000112.2R568 V573 L583 R691R568-D571 HydrophobicContact CB-CB 4.11Å; R568-D571 VanDerWaalsContact CD-OD2 3.3Å; R568-D571 WeakPolarHBondContact CD-OD2 3.44Å; R568-D571 PolarHBondContact O-N 3.34Å; D571-V573 PolarHBondContact O-N 3.42Å; D571-L583 WeakPolarHBondContact O-CG 3.25Å; D571-R691 WeakPolarHBondContact OD1-CD 3.37Å; D571-R691 IonicContact OD1-CZ 3.1Å; D571-R691 IonicContact OD1-NE 3.65Å; D571-R691 PolarHBondContact OD1-NE 3.09Å
572L76.1Confident80.1Confident18 Ų1849.2 Ų49.29%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-77.6114174.2-161.385.8000109.5W500 Y505 D567 R568 Y580W500-L572 HydrophobicContact CH2-CB 4.26Å; W500-L572 HydrophobicContact CH2-CD2 3.55Å; W500-L572 HydrophobicContact CZ3-CD2 3.63Å; Y505-L572 HydrophobicContact CE2-CD2 4.32Å; D567-L572 HydrophobicContact CB-CD1 4.38Å; D567-L572 WeakPolarHBondContact OD2-CD1 3.46Å; R568-L572 PolarHBondContact O-N 2.85Å; L572-Y580 HydrophobicContact CD2-CD1 3.2Å; L572-Y580 HydrophobicContact CD2-CE1 3.84Å; L572-Y580 HydrophobicContact CD2-CG 3.73Å; L572-Y580 HydrophobicContact CG-CD1 3.67Å; L572-Y580 HydrophobicContact CG-CG 4.17Å
573V77.6Confident79.7Confident24 Ų2449.7 Ų49.715%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-110.7122.5176.1-177.10000108.9D571 Y580 V581 L583 A603D571-V573 PolarHBondContact O-N 3.42Å; V573-Y580 WeakPolarHBondContact O-CA 3.45Å; V573-V581 PolarHBondContact N-O 3.29Å; V573-V581 VanDerWaalsContact N-O 3.08Å; V573-V581 PolarHBondContact O-N 2.83Å; V573-L583 HydrophobicContact CG2-CD1 3.95Å; V573-L583 HydrophobicContact CG2-CG 4.39Å; V573-A603 HydrophobicContact CB-CB 3.88Å; V573-A603 HydrophobicContact CG1-CB 3.77Å; V573-A603 HydrophobicContact CG2-CB 4.24Å
574K76.3Confident79Confident95 Ų9550.4 Ų50.441%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-77.1120169.1-165-178.5-169.5159.90108.9E579 Y580 S605K574-E579 CarbonylContact C-O 3.47Å; K574-E579 WeakPolarHBondContact CA-O 3.15Å; K574-Y580 HydrophobicContact CB-CD1 3.72Å; K574-Y580 HydrophobicContact CB-CE1 3.5Å; K574-Y580 HydrophobicContact CB-CG 4.44Å; K574-Y580 HydrophobicContact CD-CE1 4.05Å; K574-Y580 HydrophobicContact CD-CE2 4.14Å; K574-Y580 WeakPolarHBondContact CD-OH 3.03Å; K574-Y580 HydrophobicContact CG-CD1 4.12Å; K574-Y580 HydrophobicContact CG-CD2 4.41Å; K574-Y580 HydrophobicContact CG-CE1 3.81Å; K574-Y580 HydrophobicContact CG-CE2 4.06Å; K574-Y580 HydrophobicContact CG-CG 4.44Å; K574-Y580 PolarHBondContact NZ-OH 3.27Å; K574-S605 WeakPolarHBondContact O-CA 3.48Å; K574-S605 WeakPolarHBondContact O-CB 3.48Å; K574-S605 PolarHBondContact O-OG 3.15Å
575L79.9Confident78.3Confident3 Ų351.1 Ų51.12%0.01626%0.257CS..  trans-74.8165.4172.1-62.4179.6000111A577 G578 E579 V581 A603 F663L575-A577 PolarHBondContact O-N 3.33Å; L575-G578 WeakPolarHBondContact O-CA 3.11Å; L575-G578 PolarHBondContact O-N 3.01Å; L575-E579 PolarHBondContact N-O 3.31Å; L575-V581 HydrophobicContact CD1-CG2 3.61Å; L575-V581 HydrophobicContact CD2-CG2 4.42Å; L575-V581 HydrophobicContact CG-CG2 3.87Å; L575-A603 HydrophobicContact CD2-CB 3.98Å; L575-F663 HydrophobicContact CD1-CB 4.36Å
576Q72.1Confident78.1Confident139 Ų13948.9 Ų48.965%0.6525%0.246SC*.THydrogen-bonded Turntrans-56.4-35.7-179.6-170.9-171.713.200113.2G578 S605 E607Q576-G578 PolarHBondContact O-N 2.87Å; Q576-S605 WeakPolarHBondContact CA-O 3.41Å; Q576-S605 PolarHBondContact N-O 3.48Å; Q576-E607 PolarHBondContact N-O 3Å
577A66.6Low78.1Confident70 Ų7048.2 Ų48.258%0.57924%0.242SC*.THydrogen-bonded Turntrans-77-0.8178.600000113.4L575 E579L575-A577 PolarHBondContact O-N 3.33Å; A577-E579 WeakPolarHBondContact CA-OE2 3.4Å; A577-E579 WeakPolarHBondContact CB-OE2 3.38Å
578G58.7Low78.2Confident31 Ų3148.7 Ų48.732%0.3225%0.248SC..SBendtrans95.4-7.6171.900000114.4L575 Q576L575-G578 WeakPolarHBondContact O-CA 3.11Å; L575-G578 PolarHBondContact O-N 3.01Å; Q576-G578 PolarHBondContact O-N 2.87Å
579E72.1Confident78.2Confident74 Ų7445.4 Ų45.435%0.34624%0.238SC..  trans-71.6144.3174.2-53.490.5161.500111.4K574 L575 A577 F663K574-E579 CarbonylContact C-O 3.47Å; K574-E579 WeakPolarHBondContact CA-O 3.15Å; L575-E579 PolarHBondContact N-O 3.31Å; A577-E579 WeakPolarHBondContact CA-OE2 3.4Å; A577-E579 WeakPolarHBondContact CB-OE2 3.38Å; E579-F663 HydrophobicContact CB-CD2 3.84Å; E579-F663 HydrophobicContact CB-CE2 4Å; E579-F663 HydrophobicContact CB-CG 4.15Å; E579-F663 HydrophobicContact CB-CZ 4.42Å; E579-F663 HydrophobicContact CG-CD1 4.3Å; E579-F663 HydrophobicContact CG-CD2 4.44Å; E579-F663 HydrophobicContact CG-CG 4.26Å
580Y75Confident78.5Confident77 Ų7742.8 Ų42.830%0.30223%0.227SC..EExtended strand (participates in β ladder)trans-98.8130.4174.4-70.5-91.1000110.6E502 L572 V573 K574E502-Y580 PolarHBondContact O-OH 3.28Å; L572-Y580 HydrophobicContact CD2-CD1 3.2Å; L572-Y580 HydrophobicContact CD2-CE1 3.84Å; L572-Y580 HydrophobicContact CD2-CG 3.73Å; L572-Y580 HydrophobicContact CG-CD1 3.67Å; L572-Y580 HydrophobicContact CG-CG 4.17Å; V573-Y580 WeakPolarHBondContact O-CA 3.45Å; K574-Y580 HydrophobicContact CB-CD1 3.72Å; K574-Y580 HydrophobicContact CB-CE1 3.5Å; K574-Y580 HydrophobicContact CB-CG 4.44Å; K574-Y580 HydrophobicContact CD-CE1 4.05Å; K574-Y580 HydrophobicContact CD-CE2 4.14Å; K574-Y580 WeakPolarHBondContact CD-OH 3.03Å; K574-Y580 HydrophobicContact CG-CD1 4.12Å; K574-Y580 HydrophobicContact CG-CD2 4.41Å; K574-Y580 HydrophobicContact CG-CE1 3.81Å; K574-Y580 HydrophobicContact CG-CE2 4.06Å; K574-Y580 HydrophobicContact CG-CG 4.44Å; K574-Y580 PolarHBondContact NZ-OH 3.27Å
581V80.6Confident79Confident0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-108126.9176.51780000109.9V573 L575 L583 V586 V610 F663V573-V581 PolarHBondContact N-O 3.29Å; V573-V581 VanDerWaalsContact N-O 3.08Å; V573-V581 PolarHBondContact O-N 2.83Å; L575-V581 HydrophobicContact CD1-CG2 3.61Å; L575-V581 HydrophobicContact CD2-CG2 4.42Å; L575-V581 HydrophobicContact CG-CG2 3.87Å; V581-L583 HydrophobicContact CG1-CD2 4.15Å; V581-L583 PolarHBondContact O-N 3.08Å; V581-V586 HydrophobicContact CG1-CG2 4.2Å; V581-V610 HydrophobicContact CB-CG2 4.28Å; V581-V610 HydrophobicContact CG1-CG2 3.76Å; V581-V610 HydrophobicContact CG2-CG2 3.87Å; V581-F663 HydrophobicContact CG2-CD2 3.73Å; V581-F663 HydrophobicContact CG2-CE2 4.14Å
582S83.8Confident79.3Confident9 Ų936.9 Ų36.96%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-86.7101.5167.9-169.30000110.6D567 G584 K585 V586D567-S582 WeakPolarHBondContact OD1-CB 3.49Å; D567-S582 PolarHBondContact OD1-OG 3.39Å; D567-S582 WeakPolarHBondContact OD2-CB 3.11Å; D567-S582 PolarHBondContact OD2-OG 3.43Å; S582-G584 VanDerWaalsContact C-N 3.3Å; S582-G584 PolarHBondContact O-N 3.37Å; S582-K585 PolarHBondContact O-N 3.01Å; S582-V586 PolarHBondContact O-N 3.12Å
583L86.6Confident79.8Confident9 Ų936.3 Ų36.35%0.04720%0.199CC..Hα-helixtrans-60.9-39.2-177.1-62177.5000112.4D571 V573 V581 K585 V586 E587 A601 A603 V610D571-L583 WeakPolarHBondContact O-CG 3.25Å; V573-L583 HydrophobicContact CG2-CD1 3.95Å; V573-L583 HydrophobicContact CG2-CG 4.39Å; V581-L583 HydrophobicContact CG1-CD2 4.15Å; V581-L583 PolarHBondContact O-N 3.08Å; L583-K585 PolarHBondContact O-N 3.32Å; L583-V586 PolarHBondContact O-N 3.41Å; L583-E587 VanDerWaalsContact O-CG 3.28Å; L583-E587 WeakPolarHBondContact O-CG 3.18Å; L583-E587 PolarHBondContact O-N 2.98Å; L583-A601 HydrophobicContact CB-CB 4.27Å; L583-A601 HydrophobicContact CD2-CB 3.87Å; L583-A603 HydrophobicContact CD2-CB 3.91Å; L583-V610 HydrophobicContact CD2-CG1 4.45Å
584G80.9Confident80.1Confident16 Ų1638.9 Ų38.917%0.16522%0.216CC..Hα-helixtrans-64.9-35.5178.800000113.5S582 A588S582-G584 VanDerWaalsContact C-N 3.3Å; S582-G584 PolarHBondContact O-N 3.37Å; G584-A588 WeakPolarHBondContact O-CB 3.49Å; G584-A588 PolarHBondContact O-N 3.26Å
585K81.6Confident80.8Confident85 Ų8535 Ų3537%0.3720%0.2SC..Hα-helixtrans-63.7-47.7174.4178.5-169.8167.1-158.20110.8S582 L583 E587 A588 V589 L660 E664S582-K585 PolarHBondContact O-N 3.01Å; L583-K585 PolarHBondContact O-N 3.32Å; K585-E587 VanDerWaalsContact C-N 3.32Å; K585-E587 PolarHBondContact O-N 3.49Å; K585-A588 PolarHBondContact O-N 2.73Å; K585-V589 WeakPolarHBondContact O-CG2 3.4Å; K585-V589 PolarHBondContact O-N 3.43Å; K585-V589 VanDerWaalsContact O-N 3.12Å; K585-L660 HydrophobicContact CG-CD2 4.41Å; K585-E664 IonicContact NZ-OE1 3.25Å; K585-E664 PolarHBondContact NZ-OE1 3.28Å; K585-E664 IonicContact NZ-OE2 2.8Å; K585-E664 PolarHBondContact NZ-OE2 3.15Å
586V85.9Confident81.3Confident0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-57.9-47.4179175.50000110.3V581 S582 L583 V589 L590 A601 L660 E664 P666V581-V586 HydrophobicContact CG1-CG2 4.2Å; S582-V586 PolarHBondContact O-N 3.12Å; L583-V586 PolarHBondContact O-N 3.41Å; V586-V589 PolarHBondContact O-N 3.06Å; V586-L590 HydrophobicContact CG1-CD1 3.65Å; V586-L590 HydrophobicContact CG1-CG 4.28Å; V586-L590 WeakPolarHBondContact O-CB 3.23Å; V586-L590 VanDerWaalsContact O-CG 3.31Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.35Å; V586-A601 HydrophobicContact CB-CB 4.26Å; V586-A601 HydrophobicContact CG1-CB 4.08Å; V586-L660 HydrophobicContact CG1-CD1 4.34Å; V586-E664 HydrophobicContact CG2-CB 3.86Å; V586-E664 WeakPolarHBondContact CG2-O 3.4Å; V586-P666 HydrophobicContact CG1-CG 4.28Å
587E88.4Confident82Confident19 Ų1930.9 Ų30.99%0.08918%0.182CC..Hα-helixtrans-61.5-49.3178.8-70.1160.9175.400112.6L583 K585 V589 L590 K591 I599 C600 A601 L689 R691L583-E587 VanDerWaalsContact O-CG 3.28Å; L583-E587 WeakPolarHBondContact O-CG 3.18Å; L583-E587 PolarHBondContact O-N 2.98Å; K585-E587 VanDerWaalsContact C-N 3.32Å; K585-E587 PolarHBondContact O-N 3.49Å; E587-V589 PolarHBondContact O-N 3.32Å; E587-L590 PolarHBondContact O-N 3.26Å; E587-K591 VanDerWaalsContact O-CB 3.22Å; E587-K591 WeakPolarHBondContact O-CB 3.23Å; E587-K591 PolarHBondContact O-N 2.8Å; E587-I599 HydrophobicContact CB-CG2 4.35Å; E587-I599 HydrophobicContact CG-CG2 4.48Å; E587-C600 WeakPolarHBondContact OE1-CA 3.49Å; E587-A601 HydrophobicContact CG-CB 3.89Å; E587-A601 PolarHBondContact OE1-N 3.45Å; E587-L689 HydrophobicContact CG-CD1 4.39Å; E587-R691 VanDerWaalsContact CD-NH2 3.33Å; E587-R691 IonicContact OE1-CZ 3.58Å; E587-R691 IonicContact OE1-NH1 2.63Å; E587-R691 PolarHBondContact OE1-NH1 3Å; E587-R691 IonicContact OE1-NH2 3.93Å; E587-R691 PolarHBondContact OE1-NH2 3.49Å; E587-R691 IonicContact OE2-CZ 3.06Å; E587-R691 IonicContact OE2-NH1 3.15Å; E587-R691 IonicContact OE2-NH2 2.65Å; E587-R691 PolarHBondContact OE2-NH2 3.37Å
588A82.3Confident83Confident24 Ų2427.9 Ų27.920%0.19816%0.156CC..Hα-helixtrans-62.8-29.8-178.400000113.1S445 G584 K585 N592S445-A588 WeakPolarHBondContact CB-O 3.49Å; G584-A588 WeakPolarHBondContact O-CB 3.49Å; G584-A588 PolarHBondContact O-N 3.26Å; K585-A588 PolarHBondContact O-N 2.73Å; A588-N592 PolarHBondContact O-ND2 3Å
589V83.5Confident84.7Confident28 Ų2826.4 Ų26.417%0.1714%0.141CC..Hα-helixtrans-76.5-54.3174.6170.90000110.7K585 V586 E587 K591 N592 D658 L660K585-V589 WeakPolarHBondContact O-CG2 3.4Å; K585-V589 PolarHBondContact O-N 3.43Å; K585-V589 VanDerWaalsContact O-N 3.12Å; V586-V589 PolarHBondContact O-N 3.06Å; E587-V589 PolarHBondContact O-N 3.32Å; V589-K591 PolarHBondContact O-N 3.45Å; V589-N592 WeakPolarHBondContact O-CB 3.34Å; V589-N592 PolarHBondContact O-N 3.33Å; V589-N592 PolarHBondContact O-ND2 2.59Å; V589-N592 VanDerWaalsContact O-ND2 3.11Å; V589-D658 HydrophobicContact CG1-CB 3.39Å; V589-L660 HydrophobicContact CB-CD1 4.15Å; V589-L660 HydrophobicContact CB-CD2 4.26Å; V589-L660 HydrophobicContact CB-CG 4.31Å; V589-L660 HydrophobicContact CG1-CD1 3.93Å; V589-L660 HydrophobicContact CG1-CD2 4.39Å; V589-L660 HydrophobicContact CG1-CG 3.95Å; V589-L660 HydrophobicContact CG2-CD2 4.07Å
590L89.2Confident85.7Confident1 Ų123.1 Ų23.11%0.00513%0.126CC..Hα-helixtrans-66.4-25.7-173.6-68.6-177.5000113.5V586 E587 N592 C593 I596 I599 I651 A655 L660 P666V586-L590 HydrophobicContact CG1-CD1 3.65Å; V586-L590 HydrophobicContact CG1-CG 4.28Å; V586-L590 WeakPolarHBondContact O-CB 3.23Å; V586-L590 VanDerWaalsContact O-CG 3.31Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.35Å; E587-L590 PolarHBondContact O-N 3.26Å; L590-N592 PolarHBondContact O-N 3.49Å; L590-N592 VanDerWaalsContact O-N 3.16Å; L590-C593 WeakPolarHBondContact O-CB 3.29Å; L590-C593 PolarHBondContact O-N 3.47Å; L590-I596 HydrophobicContact CB-CD1 4.2Å; L590-I596 VanDerWaalsContact O-CD1 3.3Å; L590-I596 WeakPolarHBondContact O-CD1 3.35Å; L590-I599 HydrophobicContact CB-CD1 3.83Å; L590-I599 HydrophobicContact CB-CG2 4.44Å; L590-I599 HydrophobicContact CD1-CD1 3.59Å; L590-I599 HydrophobicContact CG-CD1 4.38Å; L590-I651 HydrophobicContact CD1-CG2 3.89Å; L590-I651 HydrophobicContact CD2-CG2 3.8Å; L590-I651 HydrophobicContact CG-CG2 4.41Å; L590-A655 HydrophobicContact CD2-CB 3.76Å; L590-L660 HydrophobicContact CD2-CD1 4.24Å; L590-L660 HydrophobicContact CG-CD1 4.23Å; L590-P666 HydrophobicContact CD1-CG 3.78Å
591K87Confident86.5Confident26 Ų2619.5 Ų19.511%0.11311%0.112CC..THydrogen-bonded Turntrans-63.2-17.8177.4-164.2163.7-173.4154.50114.4E374 E587 V589 C593 N598 I599E374-K591 WeakPolarHBondContact OE2-CE 3.44Å; E374-K591 IonicContact OE2-NZ 3.89Å; E374-K591 PolarHBondContact OE2-NZ 3.16Å; E587-K591 VanDerWaalsContact O-CB 3.22Å; E587-K591 WeakPolarHBondContact O-CB 3.23Å; E587-K591 PolarHBondContact O-N 2.8Å; V589-K591 PolarHBondContact O-N 3.45Å; K591-C593 PolarHBondContact O-N 2.76Å; K591-N598 PolarHBondContact NZ-OD1 3.18Å; K591-I599 HydrophobicContact CB-CG2 4.33Å
592N81.5Confident87Confident26 Ų2621 Ų2114%0.13912%0.118CC..THydrogen-bonded Turntrans-74.2-12.9172.3-57.9-47.5000112.9S445 T448 A588 V589 L590S445-N592 PolarHBondContact OG-ND2 3.27Å; S445-N592 PolarHBondContact OG-OD1 3.44Å; S445-N592 VanDerWaalsContact OG-OD1 3.12Å; T448-N592 PolarHBondContact OG1-OD1 3.47Å; T448-N592 VanDerWaalsContact OG1-OD1 3.14Å; A588-N592 PolarHBondContact O-ND2 3Å; V589-N592 WeakPolarHBondContact O-CB 3.34Å; V589-N592 PolarHBondContact O-N 3.33Å; V589-N592 PolarHBondContact O-ND2 2.59Å; V589-N592 VanDerWaalsContact O-ND2 3.11Å; L590-N592 PolarHBondContact O-N 3.49Å; L590-N592 VanDerWaalsContact O-N 3.16Å
593C85.7Confident87.2Confident6 Ų621 Ų214%0.04112%0.118CC..SBendtrans-65.9127.7177-1770000110.5L590 K591 L595 I596 A654L590-C593 WeakPolarHBondContact O-CB 3.29Å; L590-C593 PolarHBondContact O-N 3.47Å; K591-C593 PolarHBondContact O-N 2.76Å; C593-L595 PolarHBondContact O-N 3.41Å; C593-L595 VanDerWaalsContact O-N 3.11Å; C593-I596 HydrophobicContact CB-CB 4.35Å; C593-I596 HydrophobicContact CB-CD1 3.82Å; C593-I596 HydrophobicContact CB-CG1 4.03Å; C593-I596 PolarHBondContact O-N 2.78Å; C593-A654 HydrophobicContact CB-CB 4.38Å
594P85.1Confident87.1Confident79 Ų7922.9 Ų22.951%0.51313%0.128SC..THydrogen-bonded Turntrans-58.3-28.1-178.6-26.534.7000114.4I596 N617 H620P594-I596 VanDerWaalsContact C-N 3.27Å; P594-I596 PolarHBondContact O-N 3.08Å; P594-N617 WeakPolarHBondContact O-CB 3.37Å; P594-H620 PolarHBondContact O-ND1 3.37Å
595L89.9Confident87.1Confident14 Ų1425.2 Ų25.27%0.07314%0.142CC..THydrogen-bonded Turntrans-74.1-15178.2-74.6169.6000113.6C593 P616 N617 H620 L624 V650C593-L595 PolarHBondContact O-N 3.41Å; C593-L595 VanDerWaalsContact O-N 3.11Å; L595-P616 CarbonylContact O-C 3.49Å; L595-P616 WeakPolarHBondContact O-CA 3.4Å; L595-N617 PolarHBondContact O-N 3.29Å; L595-H620 HydrophobicContact CD2-CB 3.7Å; L595-H620 WeakPolarHBondContact CD2-O 3.38Å; L595-H620 HydrophobicContact CG-CB 4.47Å; L595-L624 HydrophobicContact CD1-CD2 3.82Å; L595-L624 HydrophobicContact CD2-CB 4.26Å; L595-L624 HydrophobicContact CD2-CD2 4.03Å; L595-V650 HydrophobicContact CD1-CB 3.62Å; L595-V650 HydrophobicContact CD1-CG1 3.49Å; L595-V650 VanDerWaalsContact CD1-CG1 3.49Å; L595-V650 HydrophobicContact CD1-CG2 3.86Å
596I91.3Very high87Confident0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-106119.6-173.2-62.9175.4000108.9K381 L590 C593 P594 N598 I599 V614 I651K381-I596 WeakPolarHBondContact CE-O 3.17Å; K381-I596 PolarHBondContact NZ-O 3.1Å; L590-I596 HydrophobicContact CB-CD1 4.2Å; L590-I596 VanDerWaalsContact O-CD1 3.3Å; L590-I596 WeakPolarHBondContact O-CD1 3.35Å; C593-I596 HydrophobicContact CB-CB 4.35Å; C593-I596 HydrophobicContact CB-CD1 3.82Å; C593-I596 HydrophobicContact CB-CG1 4.03Å; C593-I596 PolarHBondContact O-N 2.78Å; P594-I596 VanDerWaalsContact C-N 3.27Å; P594-I596 PolarHBondContact O-N 3.08Å; I596-N598 WeakPolarHBondContact CG2-O 3.38Å; I596-I599 HydrophobicContact CD1-CD1 4.07Å; I596-I599 HydrophobicContact CG2-CB 3.83Å; I596-I599 HydrophobicContact CG2-CG2 4.06Å; I596-V614 HydrophobicContact CG1-CG1 3.91Å; I596-V614 HydrophobicContact CG2-CG1 4.35Å; I596-I651 HydrophobicContact CD1-CD1 3.68Å; I596-I651 HydrophobicContact CD1-CG1 3.67Å; I596-I651 HydrophobicContact CG1-CD1 4.17Å; I596-I651 HydrophobicContact CG1-CG1 4.29Å
597D86.2Confident87Confident54 Ų5430.3 Ų30.329%0.28917%0.168SC..EExtended strand (participates in β ladder)trans-81.2-49.7164.9-84.2-13.1000111K381 V615 N617K381-D597 PolarHBondContact NZ-O 3.37Å; K381-D597 IonicContact NZ-OD1 3.18Å; D597-V615 WeakPolarHBondContact CA-O 3.15Å; D597-V615 HydrophobicContact CB-CG1 4.19Å; D597-V615 PolarHBondContact N-O 3.44Å; D597-N617 WeakPolarHBondContact OD1-CB 3.46Å; D597-N617 PolarHBondContact OD1-ND2 3.29Å; D597-N617 WeakPolarHBondContact OD2-CA 3.31Å
598N88.8Confident86.9Confident7 Ų732.5 Ų32.54%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-142.3154174.4-145.2-12000111K591 I596 V615 W676K591-N598 PolarHBondContact NZ-OD1 3.18Å; I596-N598 WeakPolarHBondContact CG2-O 3.38Å; N598-V615 HydrophobicContact CB-CB 4.05Å; N598-V615 HydrophobicContact CB-CG2 4.05Å; N598-V615 PolarHBondContact N-O 2.88Å; N598-V615 PolarHBondContact O-N 3.02Å; N598-W676 HydrophobicContact CB-CD2 4.44Å; N598-W676 HydrophobicContact CB-CE3 3.74Å; N598-W676 HydrophobicContact CB-CZ3 4.04Å
599I92.6Very high87.2Confident1 Ų133.3 Ų33.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-145.7142.3-178.4-176.8167.5000110.3E587 L590 K591 I596 F613 V614 L689E587-I599 HydrophobicContact CB-CG2 4.35Å; E587-I599 HydrophobicContact CG-CG2 4.48Å; L590-I599 HydrophobicContact CB-CD1 3.83Å; L590-I599 HydrophobicContact CB-CG2 4.44Å; L590-I599 HydrophobicContact CD1-CD1 3.59Å; L590-I599 HydrophobicContact CG-CD1 4.38Å; K591-I599 HydrophobicContact CB-CG2 4.33Å; I596-I599 HydrophobicContact CD1-CD1 4.07Å; I596-I599 HydrophobicContact CG2-CB 3.83Å; I596-I599 HydrophobicContact CG2-CG2 4.06Å; I599-F613 CarbonylContact C-O 3.56Å; I599-F613 VanDerWaalsContact CA-O 3.32Å; I599-F613 WeakPolarHBondContact CA-O 3.49Å; I599-V614 HydrophobicContact CD1-CG2 4.05Å; I599-V614 HydrophobicContact CG1-CG2 4.1Å; I599-L689 VanDerWaalsContact O-CD1 3.23Å; I599-L689 WeakPolarHBondContact O-CD1 3.22Å
600C93.3Very high87.5Confident4 Ų432 Ų323%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-127115.7170.9179.40000108.2E587 S612 F613 W676 L689 L694E587-C600 WeakPolarHBondContact OE1-CA 3.49Å; C600-S612 CarbonylContact O-C 3.59Å; C600-S612 VanDerWaalsContact O-CA 3.27Å; C600-S612 WeakPolarHBondContact O-CA 3.48Å; C600-F613 HydrophobicContact CB-CD2 4.03Å; C600-F613 PolarHBondContact N-O 3.38Å; C600-F613 PolarHBondContact O-N 2.98Å; C600-W676 HydrophobicContact CB-CH2 3.53Å; C600-W676 HydrophobicContact CB-CZ3 3.8Å; C600-L689 HydrophobicContact CB-CD1 4.08Å; C600-L694 HydrophobicContact CB-CD1 3.95Å
601A92.4Very high87.8Confident1 Ų132 Ų321%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-78.7141.5171.500000109.5L583 V586 E587 V610 R691L583-A601 HydrophobicContact CB-CB 4.27Å; L583-A601 HydrophobicContact CD2-CB 3.87Å; V586-A601 HydrophobicContact CB-CB 4.26Å; V586-A601 HydrophobicContact CG1-CB 4.08Å; E587-A601 HydrophobicContact CG-CB 3.89Å; E587-A601 PolarHBondContact OE1-N 3.45Å; A601-V610 HydrophobicContact CB-CG1 4.26Å; A601-R691 PolarHBondContact O-NH1 2.72Å
602Y92.2Very high88.2Confident32 Ų3230.7 Ų30.713%0.12517%0.169CC..EExtended strand (participates in β ladder)trans-136.3137.2176.4179.6-87.7000109.6N604 V610 I611 K695 I702 Y706Y602-N604 HydrophobicContact CE1-CB 4.39Å; Y602-V610 WeakPolarHBondContact O-CG1 3.37Å; Y602-I611 HydrophobicContact CD1-CD1 3.78Å; Y602-I611 HydrophobicContact CD1-CG1 3.84Å; Y602-I611 HydrophobicContact CG-CG1 4.41Å; Y602-I611 PolarHBondContact N-O 3.23Å; Y602-I611 WeakPolarHBondContact O-CG1 3.25Å; Y602-I611 PolarHBondContact O-N 3.33Å; Y602-I611 VanDerWaalsContact O-O 3.14Å; Y602-K695 HydrophobicContact CE2-CB 4.34Å; Y602-K695 HydrophobicContact CE2-CD 3.83Å; Y602-K695 HydrophobicContact CE2-CG 3.84Å; Y602-K695 VanDerWaalsContact OH-CE 3.26Å; Y602-K695 WeakPolarHBondContact OH-CE 3.46Å; Y602-K695 PolarHBondContact OH-NZ 3.34Å; Y602-I702 HydrophobicContact CD1-CD1 4.43Å; Y602-I702 HydrophobicContact CD1-CG1 4.47Å; Y602-I702 HydrophobicContact CD1-CG2 4.42Å; Y602-I702 HydrophobicContact CD2-CD1 4.44Å; Y602-I702 HydrophobicContact CE1-CD1 4.21Å; Y602-I702 HydrophobicContact CE1-CG1 4.45Å; Y602-I702 HydrophobicContact CE1-CG2 3.81Å; Y602-I702 HydrophobicContact CE2-CD1 4.24Å; Y602-Y706 AromaticContact CD1-CE2 3.83Å; Y602-Y706 HydrophobicContact CD1-CE2 3.83Å; Y602-Y706 AromaticContact CE1-CE2 3.78Å; Y602-Y706 HydrophobicContact CE1-CE2 3.78Å; Y602-Y706 PolarHBondContact O-OH 3.04Å
603A87.4Confident88.8Confident8 Ų829.5 Ų29.57%0.06616%0.163CC..  trans-136.5149.717500000109.3V573 L575 L583 V610 Y706V573-A603 HydrophobicContact CB-CB 3.88Å; V573-A603 HydrophobicContact CG1-CB 3.77Å; V573-A603 HydrophobicContact CG2-CB 4.24Å; L575-A603 HydrophobicContact CD2-CB 3.98Å; L583-A603 HydrophobicContact CD2-CB 3.91Å; A603-V610 HydrophobicContact CB-CG2 4.35Å; A603-Y706 WeakPolarHBondContact CA-OH 3.45Å
604N84Confident89.3Confident49 Ų4929.2 Ų29.226%0.26216%0.161SC..  trans-119.6144171.5-1759.5000109Y602 E606 E607 Y706Y602-N604 HydrophobicContact CE1-CB 4.39Å; N604-E606 PolarHBondContact O-N 3.41Å; N604-E607 HydrophobicContact CB-CB 4.25Å; N604-E607 HydrophobicContact CB-CG 3.94Å; N604-E607 PolarHBondContact O-N 3.33Å; N604-E607 VanDerWaalsContact O-N 3.15Å; N604-Y706 HydrophobicContact CB-CE2 4.4Å
605S80.4Confident89.7Confident66 Ų6625.9 Ų25.946%0.46214%0.139SC..THydrogen-bonded Turntrans-71.3-19-179.6-67.40000114.9K574 Q576K574-S605 WeakPolarHBondContact O-CA 3.48Å; K574-S605 WeakPolarHBondContact O-CB 3.48Å; K574-S605 PolarHBondContact O-OG 3.15Å; Q576-S605 WeakPolarHBondContact CA-O 3.41Å; Q576-S605 PolarHBondContact N-O 3.48Å
606E80.9Confident89.9Confident146 Ų14625.3 Ų25.368%0.68214%0.136SC*.THydrogen-bonded Turntrans-80.4-7.4173.8-60.6179.315900112.7N604N604-E606 PolarHBondContact O-N 3.41Å
607E85.5Confident89.8Confident46 Ų4626.7 Ų26.722%0.21514%0.143CC..SBendtrans-114.1153.5-171.1-64.9-69.9166.300111.8Q576 N604 Y706Q576-E607 PolarHBondContact N-O 3Å; N604-E607 HydrophobicContact CB-CB 4.25Å; N604-E607 HydrophobicContact CB-CG 3.94Å; N604-E607 PolarHBondContact O-N 3.33Å; N604-E607 VanDerWaalsContact O-N 3.15Å; E607-Y706 HydrophobicContact CB-CD1 3.73Å; E607-Y706 HydrophobicContact CB-CE1 3.43Å; E607-Y706 VanDerWaalsContact CB-CE1 3.43Å; E607-Y706 HydrophobicContact CG-CD1 3.28Å; E607-Y706 HydrophobicContact CG-CD2 4.29Å; E607-Y706 HydrophobicContact CG-CE1 3.49Å; E607-Y706 VanDerWaalsContact CG-CE1 3.49Å; E607-Y706 HydrophobicContact CG-CE2 4.43Å; E607-Y706 HydrophobicContact CG-CG 3.72Å; E607-Y706 WeakPolarHBondContact OE2-CD1 3.28Å
608S84.9Confident89.9Confident64 Ų6428.9 Ų28.945%0.44815%0.152SC..SBendtrans-93.60.9-177.156.40000114.2
609Y88.8Confident89.7Confident42 Ų4233.8 Ų33.817%0.16517%0.173CC..SBendtrans-150.6160.7-174.960.8-89.4000114I611 K667 K668 M705 Y706Y609-I611 HydrophobicContact CD2-CG2 3.99Å; Y609-I611 HydrophobicContact CE2-CG2 3.75Å; Y609-K667 HydrophobicContact CD2-CB 3.62Å; Y609-K667 HydrophobicContact CD2-CG 4.04Å; Y609-K667 HydrophobicContact CE2-CB 4.24Å; Y609-K667 HydrophobicContact CG-CB 4.04Å; Y609-K667 HydrophobicContact CG-CG 3.95Å; Y609-K668 HydrophobicContact CE2-CD 4.33Å; Y609-K668 PolarHBondContact OH-NZ 2.81Å; Y609-M705 PolarHBondContact OH-O 3.37Å; Y609-M705 VanDerWaalsContact OH-O 3.07Å; Y609-Y706 HydrophobicContact CD2-CD1 4.43Å; Y609-Y706 AromaticContact CD2-CE1 3.85Å; Y609-Y706 HydrophobicContact CD2-CE1 3.85Å; Y609-Y706 HydrophobicContact CE1-CD1 4.26Å; Y609-Y706 HydrophobicContact CE1-CE1 4.4Å; Y609-Y706 AromaticContact CE2-CD1 3.73Å; Y609-Y706 HydrophobicContact CE2-CD1 3.73Å; Y609-Y706 AromaticContact CE2-CE1 3.58Å; Y609-Y706 HydrophobicContact CE2-CE1 3.58Å; Y609-Y706 HydrophobicContact CG-CE1 4.42Å; Y609-Y706 AromaticContact CZ-CD1 3.62Å; Y609-Y706 AromaticContact CZ-CE1 3.87Å; Y609-Y706 WeakPolarHBondContact O-CE1 3.46Å; Y609-Y706 PolarHBondContact O-OH 3.46Å
610V91.4Very high89.5Confident0 Ų036 Ų360%018%0.183CC..  trans-89.3146.3177.6-176.20000110.2V581 L583 A601 Y602 A603 F663 P666 K667V581-V610 HydrophobicContact CB-CG2 4.28Å; V581-V610 HydrophobicContact CG1-CG2 3.76Å; V581-V610 HydrophobicContact CG2-CG2 3.87Å; L583-V610 HydrophobicContact CD2-CG1 4.45Å; A601-V610 HydrophobicContact CB-CG1 4.26Å; Y602-V610 WeakPolarHBondContact O-CG1 3.37Å; A603-V610 HydrophobicContact CB-CG2 4.35Å; V610-F663 WeakPolarHBondContact CG2-O 3.43Å; V610-P666 HydrophobicContact CG1-CG 4.42Å; V610-P666 CarbonylContact O-C 3.54Å; V610-P666 VanDerWaalsContact O-CA 3.29Å; V610-P666 WeakPolarHBondContact O-CA 3.49Å; V610-K667 PolarHBondContact O-N 3.28Å
611I94.7Very high89.4Confident0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-120.4168.2168.962.6168000110Y602 Y609 K668 I702 M705 Y706Y602-I611 HydrophobicContact CD1-CD1 3.78Å; Y602-I611 HydrophobicContact CD1-CG1 3.84Å; Y602-I611 HydrophobicContact CG-CG1 4.41Å; Y602-I611 PolarHBondContact N-O 3.23Å; Y602-I611 WeakPolarHBondContact O-CG1 3.25Å; Y602-I611 PolarHBondContact O-N 3.33Å; Y602-I611 VanDerWaalsContact O-O 3.14Å; Y609-I611 HydrophobicContact CD2-CG2 3.99Å; Y609-I611 HydrophobicContact CE2-CG2 3.75Å; I611-K668 WeakPolarHBondContact CA-O 3.46Å; I611-K668 HydrophobicContact CG2-CB 4.1Å; I611-I702 HydrophobicContact CD1-CB 4.43Å; I611-I702 HydrophobicContact CD1-CG1 4.11Å; I611-I702 HydrophobicContact CD1-CG2 4.34Å; I611-M705 HydrophobicContact CB-CE 4.46Å; I611-M705 HydrophobicContact CB-SD 4.09Å; I611-M705 HydrophobicContact CD1-CB 4.14Å; I611-M705 HydrophobicContact CD1-CE 3.68Å; I611-M705 HydrophobicContact CD1-SD 4.27Å; I611-M705 HydrophobicContact CG1-CE 4.5Å; I611-M705 HydrophobicContact CG2-CB 4.13Å; I611-M705 HydrophobicContact CG2-SD 4.41Å; I611-Y706 HydrophobicContact CD1-CD2 3.92Å; I611-Y706 HydrophobicContact CD1-CE2 3.42Å; I611-Y706 VanDerWaalsContact CD1-CE2 3.42Å; I611-Y706 HydrophobicContact CG1-CE2 3.74Å; I611-Y706 HydrophobicContact CG2-CE1 3.94Å; I611-Y706 HydrophobicContact CG2-CE2 4.19Å
612S95.1Very high89.2Confident0 Ų038.7 Ų38.70%020%0.196CC..EExtended strand (participates in β ladder)trans-147.8145.8177.3-630000114.6C600 P666 K668 I669 R670C600-S612 CarbonylContact O-C 3.59Å; C600-S612 VanDerWaalsContact O-CA 3.27Å; C600-S612 WeakPolarHBondContact O-CA 3.48Å; S612-P666 WeakPolarHBondContact OG-CB 3.24Å; S612-P666 WeakPolarHBondContact OG-CG 3.01Å; S612-K668 PolarHBondContact N-O 3.16Å; S612-K668 VanDerWaalsContact N-O 3.07Å; S612-I669 CarbonylContact O-C 3.57Å; S612-I669 WeakPolarHBondContact O-CA 3.44Å; S612-R670 PolarHBondContact O-N 2.96Å
613F95.3Very high89.1Confident1 Ų139.6 Ų39.60%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-97.1132.4167.3-40-66.1000108.2I599 C600 R670 W676 Y698 I702 M705I599-F613 CarbonylContact C-O 3.56Å; I599-F613 VanDerWaalsContact CA-O 3.32Å; I599-F613 WeakPolarHBondContact CA-O 3.49Å; C600-F613 HydrophobicContact CB-CD2 4.03Å; C600-F613 PolarHBondContact N-O 3.38Å; C600-F613 PolarHBondContact O-N 2.98Å; F613-R670 WeakPolarHBondContact CA-O 3.44Å; F613-R670 HydrophobicContact CD1-CB 4.05Å; F613-W676 HydrophobicContact CB-CH2 4.01Å; F613-W676 HydrophobicContact CB-CZ2 3.8Å; F613-W676 WeakPolarHBondContact O-CH2 3.13Å; F613-Y698 HydrophobicContact CB-CD2 3.91Å; F613-Y698 HydrophobicContact CB-CE2 3.75Å; F613-Y698 HydrophobicContact CB-CG 4.45Å; F613-Y698 AromaticContact CD1-CD1 3.99Å; F613-Y698 HydrophobicContact CD1-CD1 3.99Å; F613-Y698 AromaticContact CD1-CD2 3.66Å; F613-Y698 HydrophobicContact CD1-CD2 3.66Å; F613-Y698 HydrophobicContact CD1-CE2 4.31Å; F613-Y698 AromaticContact CD1-CG 3.48Å; F613-Y698 HydrophobicContact CD1-CG 3.48Å; F613-Y698 VanDerWaalsContact CD1-CG 3.48Å; F613-Y698 AromaticContact CD2-CD2 3.7Å; F613-Y698 HydrophobicContact CD2-CD2 3.7Å; F613-Y698 HydrophobicContact CD2-CE2 4.27Å; F613-Y698 HydrophobicContact CD2-CG 4.31Å; F613-Y698 HydrophobicContact CE1-CD1 4.5Å; F613-Y698 HydrophobicContact CE1-CD2 4.14Å; F613-Y698 AromaticContact CE1-CG 3.77Å; F613-Y698 HydrophobicContact CE1-CG 3.77Å; F613-Y698 HydrophobicContact CE2-CD2 4.16Å; F613-Y698 HydrophobicContact CG-CD1 4.47Å; F613-Y698 AromaticContact CG-CD2 3.44Å; F613-Y698 HydrophobicContact CG-CD2 3.44Å; F613-Y698 VanDerWaalsContact CG-CD2 3.44Å; F613-Y698 AromaticContact CG-CE2 3.84Å; F613-Y698 HydrophobicContact CG-CE2 3.84Å; F613-Y698 AromaticContact CG-CG 3.81Å; F613-Y698 HydrophobicContact CG-CG 3.81Å; F613-Y698 HydrophobicContact CZ-CD2 4.37Å; F613-Y698 HydrophobicContact CZ-CG 4.3Å; F613-I702 HydrophobicContact CE1-CG1 3.9Å; F613-I702 HydrophobicContact CZ-CD1 3.77Å; F613-I702 HydrophobicContact CZ-CG1 3.48Å; F613-I702 VanDerWaalsContact CZ-CG1 3.48Å; F613-M705 HydrophobicContact CD1-CE 4.1Å; F613-M705 HydrophobicContact CE1-CE 3.62Å
614V95.5Very high89.2Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-128.3123.4-171.7176.60000109.1I596 I599 P616 I651 I669 R670 L671 S672I596-V614 HydrophobicContact CG1-CG1 3.91Å; I596-V614 HydrophobicContact CG2-CG1 4.35Å; I599-V614 HydrophobicContact CD1-CG2 4.05Å; I599-V614 HydrophobicContact CG1-CG2 4.1Å; V614-P616 WeakPolarHBondContact O-CD 3.22Å; V614-I651 HydrophobicContact CG2-CD1 3.93Å; V614-I669 HydrophobicContact CG2-CB 4.36Å; V614-I669 HydrophobicContact CG2-CG2 4.34Å; V614-R670 PolarHBondContact N-O 3.01Å; V614-L671 HydrophobicContact CB-CD2 4.05Å; V614-L671 HydrophobicContact CG1-CD2 4.12Å; V614-L671 CarbonylContact O-C 3.5Å; V614-L671 WeakPolarHBondContact O-CA 3.12Å; V614-S672 PolarHBondContact O-N 2.76Å
615V93.9Very high89.5Confident8 Ų837.5 Ų37.55%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-86.9109.1162.4-176.60000106.5D597 N598 W676D597-V615 WeakPolarHBondContact CA-O 3.15Å; D597-V615 HydrophobicContact CB-CG1 4.19Å; D597-V615 PolarHBondContact N-O 3.44Å; N598-V615 HydrophobicContact CB-CB 4.05Å; N598-V615 HydrophobicContact CB-CG2 4.05Å; N598-V615 PolarHBondContact N-O 2.88Å; N598-V615 PolarHBondContact O-N 3.02Å; V615-W676 HydrophobicContact CG2-CB 4.44Å; V615-W676 HydrophobicContact CG2-CD2 3.44Å; V615-W676 VanDerWaalsContact CG2-CD2 3.44Å; V615-W676 HydrophobicContact CG2-CE3 4.08Å; V615-W676 HydrophobicContact CG2-CG 3.6Å; V615-W676 HydrophobicContact CG2-CH2 4.42Å; V615-W676 HydrophobicContact CG2-CZ2 3.86Å
616P93.2Very high90Very high3 Ų340.7 Ų40.72%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-80.3148.8-176.729.4-26.6000111.5L595 V614 H618 L621 W634 L671 S672L595-P616 CarbonylContact O-C 3.49Å; L595-P616 WeakPolarHBondContact O-CA 3.4Å; V614-P616 WeakPolarHBondContact O-CD 3.22Å; P616-H618 PolarHBondContact O-N 3.41Å; P616-L621 HydrophobicContact CB-CB 4.18Å; P616-L621 HydrophobicContact CB-CD1 4.09Å; P616-L621 HydrophobicContact CB-CD2 3.9Å; P616-L621 HydrophobicContact CB-CG 4.27Å; P616-L621 HydrophobicContact CG-CD2 3.69Å; P616-W634 HydrophobicContact CB-CH2 4.46Å; P616-W634 HydrophobicContact CG-CH2 3.75Å; P616-W634 HydrophobicContact CG-CZ2 4.16Å; P616-L671 HydrophobicContact CG-CB 4.5Å; P616-L671 HydrophobicContact CG-CD2 4.45Å; P616-S672 WeakPolarHBondContact CD-O 3.34Å
617N90.1Very high90.3Very high28 Ų2840.4 Ų40.415%0.1520%0.201CC..  trans-68.9120.5171.5-175.9-83.8000110.1P594 L595 D597 K619 H620 L621P594-N617 WeakPolarHBondContact O-CB 3.37Å; L595-N617 PolarHBondContact O-N 3.29Å; D597-N617 WeakPolarHBondContact OD1-CB 3.46Å; D597-N617 PolarHBondContact OD1-ND2 3.29Å; D597-N617 WeakPolarHBondContact OD2-CA 3.31Å; N617-K619 VanDerWaalsContact C-N 3.35Å; N617-K619 PolarHBondContact O-N 3.18Å; N617-K619 PolarHBondContact OD1-N 3.49Å; N617-H620 HydrophobicContact CB-CB 4.28Å; N617-H620 PolarHBondContact O-N 3.44Å; N617-H620 PolarHBondContact OD1-N 3.02Å; N617-H620 PolarHBondContact OD1-ND1 3.48Å; N617-L621 WeakPolarHBondContact O-CB 3.49Å; N617-L621 PolarHBondContact O-N 3.24Å
618H86.6Confident90.5Very high101 Ų10140.7 Ų40.747%0.46821%0.206SC..Hα-helixtrans-55.3-46.5-173.1-173.4-72.3000113.1P616 M622 W634P616-H618 PolarHBondContact O-N 3.41Å; H618-M622 WeakPolarHBondContact O-CB 3.39Å; H618-M622 WeakPolarHBondContact O-CG 3.35Å; H618-M622 PolarHBondContact O-N 2.82Å; H618-M622 VanDerWaalsContact O-N 3.12Å; H618-W634 HydrophobicContact CB-CH2 4.02Å; H618-W634 HydrophobicContact CB-CZ3 4.04Å; H618-W634 AromaticContact CD2-CD2 3.63Å; H618-W634 AromaticContact CD2-CE3 3.38Å; H618-W634 AromaticContact CD2-CZ3 3.6Å; H618-W634 AromaticContact CG-CZ3 3.89Å; H618-W634 AromaticContact NE2-CE3 3.79Å
619K86.3Confident90.7Very high109 Ų10945.1 Ų45.147%0.47422%0.219SC..Hα-helixtrans-65.9-47.3-177.9-172.9-178.5-179.8-174.90111.4E389 N617 S623E389-K619 IonicContact OE1-NZ 2.76Å; E389-K619 PolarHBondContact OE1-NZ 3.29Å; N617-K619 VanDerWaalsContact C-N 3.35Å; N617-K619 PolarHBondContact O-N 3.18Å; N617-K619 PolarHBondContact OD1-N 3.49Å; K619-S623 WeakPolarHBondContact O-CB 3.45Å; K619-S623 PolarHBondContact O-N 3.38Å; K619-S623 VanDerWaalsContact O-N 3.1Å
620H87.5Confident90.7Very high47 Ų4744.5 Ų44.522%0.21822%0.219CC..Hα-helixtrans-72.2-35.1-177.3-61.8136.5000112.7P594 L595 N617 S623 L624P594-H620 PolarHBondContact O-ND1 3.37Å; L595-H620 HydrophobicContact CD2-CB 3.7Å; L595-H620 WeakPolarHBondContact CD2-O 3.38Å; L595-H620 HydrophobicContact CG-CB 4.47Å; N617-H620 HydrophobicContact CB-CB 4.28Å; N617-H620 PolarHBondContact O-N 3.44Å; N617-H620 PolarHBondContact OD1-N 3.02Å; N617-H620 PolarHBondContact OD1-ND1 3.48Å; H620-S623 PolarHBondContact O-N 3.05Å; H620-L624 WeakPolarHBondContact O-CB 3.48Å; H620-L624 PolarHBondContact O-N 3.49Å
621L90.8Very high90.4Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-66.2-43.5175.7-170.474.8000111.5P616 N617 S623 L624 A625 W634 M643 V647 L671P616-L621 HydrophobicContact CB-CB 4.18Å; P616-L621 HydrophobicContact CB-CD1 4.09Å; P616-L621 HydrophobicContact CB-CD2 3.9Å; P616-L621 HydrophobicContact CB-CG 4.27Å; P616-L621 HydrophobicContact CG-CD2 3.69Å; N617-L621 WeakPolarHBondContact O-CB 3.49Å; N617-L621 PolarHBondContact O-N 3.24Å; L621-S623 PolarHBondContact O-N 2.95Å; L621-L624 PolarHBondContact O-N 3.44Å; L621-A625 WeakPolarHBondContact O-CB 3.35Å; L621-A625 PolarHBondContact O-N 3.01Å; L621-W634 HydrophobicContact CB-CZ3 4.17Å; L621-W634 HydrophobicContact CD2-CE3 4.26Å; L621-W634 HydrophobicContact CD2-CH2 3.91Å; L621-W634 HydrophobicContact CD2-CZ3 3.5Å; L621-W634 VanDerWaalsContact CD2-CZ3 3.5Å; L621-W634 HydrophobicContact CG-CZ3 4.41Å; L621-M643 HydrophobicContact CD1-CE 3.69Å; L621-M643 HydrophobicContact CG-CE 4.13Å; L621-V647 HydrophobicContact CD1-CG2 3.54Å; L621-L671 HydrophobicContact CD1-CD1 4.41Å
622M88.7Confident90Very high62 Ų6254.9 Ų54.931%0.30527%0.272SS..Hα-helixtrans-61.4-44.6176.1-70.3-62.8-64.600111.3H618 L624 A625 E626 L637H618-M622 WeakPolarHBondContact O-CB 3.39Å; H618-M622 WeakPolarHBondContact O-CG 3.35Å; H618-M622 PolarHBondContact O-N 2.82Å; H618-M622 VanDerWaalsContact O-N 3.12Å; M622-L624 VanDerWaalsContact C-N 3.32Å; M622-L624 PolarHBondContact O-N 3.19Å; M622-A625 PolarHBondContact O-N 2.9Å; M622-E626 WeakPolarHBondContact O-CG 3.34Å; M622-E626 PolarHBondContact O-N 3.14Å; M622-L637 HydrophobicContact CE-CD1 4.36Å; M622-L637 HydrophobicContact SD-CD1 3.42Å; M622-L637 WeakPolarHBondContact SD-CD1 3.37Å
623S89.2Confident89.7Confident51 Ų5158.4 Ų58.436%0.35729%0.294SS..Hα-helixtrans-59.4-41.5174.4175.30000112.3K619 H620 L621 Q627K619-S623 WeakPolarHBondContact O-CB 3.45Å; K619-S623 PolarHBondContact O-N 3.38Å; K619-S623 VanDerWaalsContact O-N 3.1Å; H620-S623 PolarHBondContact O-N 3.05Å; L621-S623 PolarHBondContact O-N 2.95Å; S623-Q627 VanDerWaalsContact O-CG 3.29Å; S623-Q627 WeakPolarHBondContact O-CG 3.5Å; S623-Q627 PolarHBondContact O-N 3.49Å; S623-Q627 VanDerWaalsContact O-N 3.16Å
624L89.9Confident89.3Confident12 Ų1261.1 Ų61.16%0.06330%0.304CS..Hα-helixtrans-65.6-45176.1-179.663000111L595 H620 L621 M622 E626 Q627 V628 M643 E646 V647L595-L624 HydrophobicContact CD1-CD2 3.82Å; L595-L624 HydrophobicContact CD2-CB 4.26Å; L595-L624 HydrophobicContact CD2-CD2 4.03Å; H620-L624 WeakPolarHBondContact O-CB 3.48Å; H620-L624 PolarHBondContact O-N 3.49Å; L621-L624 PolarHBondContact O-N 3.44Å; M622-L624 VanDerWaalsContact C-N 3.32Å; M622-L624 PolarHBondContact O-N 3.19Å; L624-E626 VanDerWaalsContact C-N 3.3Å; L624-E626 PolarHBondContact O-N 2.87Å; L624-Q627 WeakPolarHBondContact O-CB 3.31Å; L624-Q627 PolarHBondContact O-N 3.45Å; L624-Q627 VanDerWaalsContact O-N 3.09Å; L624-V628 HydrophobicContact CD1-CG1 4.38Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.02Å; L624-M643 HydrophobicContact CD2-CE 4.47Å; L624-E646 HydrophobicContact CD1-CG 4Å; L624-E646 HydrophobicContact CD2-CG 4.03Å; L624-E646 HydrophobicContact CG-CG 4.15Å; L624-V647 HydrophobicContact CD2-CG2 4.04Å
625A90.4Very high88.9Confident2 Ų267 Ų672%0.01733%0.332CS..Hα-helixtrans-58.6-40.7178.500000112.1L621 M622 V628 Q629 I630 L637 M643L621-A625 WeakPolarHBondContact O-CB 3.35Å; L621-A625 PolarHBondContact O-N 3.01Å; M622-A625 PolarHBondContact O-N 2.9Å; A625-V628 CarbonylContact O-C 3.57Å; A625-V628 PolarHBondContact O-N 2.9Å; A625-Q629 PolarHBondContact O-N 3.24Å; A625-I630 PolarHBondContact O-N 3.05Å; A625-L637 HydrophobicContact CB-CD1 4.13Å; A625-L637 HydrophobicContact CB-CD2 3.95Å; A625-M643 HydrophobicContact CB-CE 3.92Å; A625-M643 HydrophobicContact CB-SD 4.01Å
626E90.7Very high88.7Confident133 Ų13372 Ų7262%0.62135%0.354SS*.Hα-helixtrans-62.8-43.8173.1-73175.9-175.900112.3M622 L624 V628 Q629M622-E626 WeakPolarHBondContact O-CG 3.34Å; M622-E626 PolarHBondContact O-N 3.14Å; L624-E626 VanDerWaalsContact C-N 3.3Å; L624-E626 PolarHBondContact O-N 2.87Å; E626-V628 VanDerWaalsContact C-N 3.33Å; E626-V628 PolarHBondContact O-N 3.21Å; E626-Q629 PolarHBondContact O-N 3.36Å; E626-Q629 PolarHBondContact O-NE2 2.92Å
627Q88.4Confident88.5Confident140 Ų14071.9 Ų71.965%0.65435%0.354SS*.Hα-helixtrans-62.5-39.9178-72171.47.900112.2S623 L624 Q629S623-Q627 VanDerWaalsContact O-CG 3.29Å; S623-Q627 WeakPolarHBondContact O-CG 3.5Å; S623-Q627 PolarHBondContact O-N 3.49Å; S623-Q627 VanDerWaalsContact O-N 3.16Å; L624-Q627 WeakPolarHBondContact O-CB 3.31Å; L624-Q627 PolarHBondContact O-N 3.45Å; L624-Q627 VanDerWaalsContact O-N 3.09Å; Q627-Q629 VanDerWaalsContact C-N 3.32Å
628V89.3Confident88.5Confident52 Ų5270.6 Ų70.632%0.31535%0.347SS..THydrogen-bonded Turntrans-90.46.4178.1-57.50000114L624 A625 E626 I630 M643 E646L624-V628 HydrophobicContact CD1-CG1 4.38Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.02Å; A625-V628 CarbonylContact O-C 3.57Å; A625-V628 PolarHBondContact O-N 2.9Å; E626-V628 VanDerWaalsContact C-N 3.33Å; E626-V628 PolarHBondContact O-N 3.21Å; V628-I630 VanDerWaalsContact C-N 3.29Å; V628-I630 HydrophobicContact CG2-CB 4.24Å; V628-I630 HydrophobicContact CG2-CD1 3.66Å; V628-I630 HydrophobicContact CG2-CG1 3.83Å; V628-I630 PolarHBondContact O-N 2.61Å; V628-M643 HydrophobicContact CG2-SD 4.04Å; V628-E646 HydrophobicContact CG1-CG 3.91Å
629Q89.6Confident88.7Confident156 Ų15669.4 Ų69.473%0.72934%0.344SS*.THydrogen-bonded Turntrans57.635.5177.3-60.3-72-57.500113.9A625 E626 Q627A625-Q629 PolarHBondContact O-N 3.24Å; E626-Q629 PolarHBondContact O-N 3.36Å; E626-Q629 PolarHBondContact O-NE2 2.92Å; Q627-Q629 VanDerWaalsContact C-N 3.32Å
630I88.5Confident88.9Confident29 Ų2966.2 Ų66.215%0.14933%0.332CS..  trans-97.8118.4173.1-63.3172.5000108.5A625 V628 L637 N640 K642 M643A625-I630 PolarHBondContact O-N 3.05Å; V628-I630 VanDerWaalsContact C-N 3.29Å; V628-I630 HydrophobicContact CG2-CB 4.24Å; V628-I630 HydrophobicContact CG2-CD1 3.66Å; V628-I630 HydrophobicContact CG2-CG1 3.83Å; V628-I630 PolarHBondContact O-N 2.61Å; I630-L637 HydrophobicContact CG2-CD2 3.75Å; I630-N640 WeakPolarHBondContact CG2-ND2 3.44Å; I630-K642 HydrophobicContact CD1-CB 3.66Å; I630-M643 HydrophobicContact CB-CG 4.43Å; I630-M643 HydrophobicContact CB-SD 3.87Å; I630-M643 HydrophobicContact CD1-CG 3.97Å; I630-M643 HydrophobicContact CD1-SD 3.49Å; I630-M643 WeakPolarHBondContact CD1-SD 3.24Å; I630-M643 HydrophobicContact CG1-SD 4.22Å; I630-M643 HydrophobicContact CG2-CG 3.94Å; I630-M643 HydrophobicContact CG2-SD 4.04Å
631K85.8Confident89.1Confident188 Ų18868.4 Ų68.482%0.81735%0.35SS*.  trans-100.9144.2177-62.6-175.5-178.5-179.10110.2
632G84.8Confident89.1Confident30 Ų3075.7 Ų75.731%0.30938%0.382SS..  trans171.4168.1172.900000111.2E636G632-E636 WeakPolarHBondContact CA-OE2 3.3Å
633T88.6Confident89.3Confident74 Ų7472.8 Ų72.845%0.45437%0.368SS..  trans-65.3165.5164.966.40000110.6E635 E636 L637T633-E635 VanDerWaalsContact C-N 3.25Å; T633-E635 PolarHBondContact O-N 2.83Å; T633-E636 PolarHBondContact N-OE2 3.2Å; T633-E636 PolarHBondContact O-N 2.8Å; T633-E636 VanDerWaalsContact O-N 3.13Å; T633-E636 WeakPolarHBondContact OG1-CG 3.41Å; T633-E636 PolarHBondContact OG1-N 3.3Å; T633-L637 WeakPolarHBondContact O-CG 3.41Å; T633-L637 PolarHBondContact O-N 2.82Å
634W87.4Confident89.5Confident58 Ų5871.4 Ų71.422%0.2236%0.356CS..Hα-helixtrans-52.4-44.2178.4172-112.5000113P616 H618 L621 L637 C638 S673P616-W634 HydrophobicContact CB-CH2 4.46Å; P616-W634 HydrophobicContact CG-CH2 3.75Å; P616-W634 HydrophobicContact CG-CZ2 4.16Å; H618-W634 HydrophobicContact CB-CH2 4.02Å; H618-W634 HydrophobicContact CB-CZ3 4.04Å; H618-W634 AromaticContact CD2-CD2 3.63Å; H618-W634 AromaticContact CD2-CE3 3.38Å; H618-W634 AromaticContact CD2-CZ3 3.6Å; H618-W634 AromaticContact CG-CZ3 3.89Å; H618-W634 AromaticContact NE2-CE3 3.79Å; L621-W634 HydrophobicContact CB-CZ3 4.17Å; L621-W634 HydrophobicContact CD2-CE3 4.26Å; L621-W634 HydrophobicContact CD2-CH2 3.91Å; L621-W634 HydrophobicContact CD2-CZ3 3.5Å; L621-W634 VanDerWaalsContact CD2-CZ3 3.5Å; L621-W634 HydrophobicContact CG-CZ3 4.41Å; W634-L637 PolarHBondContact O-N 2.84Å; W634-C638 PolarHBondContact O-N 3.48Å; W634-C638 VanDerWaalsContact O-N 3.11Å; W634-C638 PolarHBondContact O-SG 2.87Å; W634-S673 PolarHBondContact NE1-O 3.21Å
635E88.3Confident89.6Confident124 Ų12478.5 Ų78.558%0.57939%0.386SS*.Hα-helixtrans-68.7-41.7178.6-70.7165.7-171.800111.5T633 L637 C638 N639T633-E635 VanDerWaalsContact C-N 3.25Å; T633-E635 PolarHBondContact O-N 2.83Å; E635-L637 VanDerWaalsContact C-N 3.33Å; E635-L637 PolarHBondContact O-N 3Å; E635-C638 PolarHBondContact O-N 2.96Å; E635-N639 WeakPolarHBondContact O-CB 3.35Å; E635-N639 PolarHBondContact O-N 3.08Å; E635-N639 PolarHBondContact O-ND2 3.09Å
636E88.6Confident89.8Confident112 Ų11280.3 Ų80.352%0.52339%0.394SS..Hα-helixtrans-62.2-40.6175.3-73.2163.8-167.700111.8G632 T633 N639 N640G632-E636 WeakPolarHBondContact CA-OE2 3.3Å; T633-E636 PolarHBondContact N-OE2 3.2Å; T633-E636 PolarHBondContact O-N 2.8Å; T633-E636 VanDerWaalsContact O-N 3.13Å; T633-E636 WeakPolarHBondContact OG1-CG 3.41Å; T633-E636 PolarHBondContact OG1-N 3.3Å; E636-N639 CarbonylContact O-C 3.52Å; E636-N639 PolarHBondContact O-N 3.28Å; E636-N640 WeakPolarHBondContact O-CB 3.38Å; E636-N640 PolarHBondContact O-N 2.99Å
637L89.9Confident89.9Confident2 Ų274 Ų741%0.0137%0.365CS..Hα-helixtrans-65-43.2177.9-71174.9000111.8M622 A625 I630 T633 W634 E635 N639 N640 M643M622-L637 HydrophobicContact CE-CD1 4.36Å; M622-L637 HydrophobicContact SD-CD1 3.42Å; M622-L637 WeakPolarHBondContact SD-CD1 3.37Å; A625-L637 HydrophobicContact CB-CD1 4.13Å; A625-L637 HydrophobicContact CB-CD2 3.95Å; I630-L637 HydrophobicContact CG2-CD2 3.75Å; T633-L637 WeakPolarHBondContact O-CG 3.41Å; T633-L637 PolarHBondContact O-N 2.82Å; W634-L637 PolarHBondContact O-N 2.84Å; E635-L637 VanDerWaalsContact C-N 3.33Å; E635-L637 PolarHBondContact O-N 3Å; L637-N639 VanDerWaalsContact C-N 3.25Å; L637-N639 PolarHBondContact O-N 2.88Å; L637-N640 PolarHBondContact O-N 3.1Å; L637-M643 HydrophobicContact CD2-CG 4.12Å; L637-M643 HydrophobicContact CD2-SD 4.45Å; L637-M643 WeakPolarHBondContact O-CB 3.24Å
638C90.1Very high90.2Very high0 Ų068.9 Ų68.90%034%0.342CS..Hα-helixtrans-67.1-28175.8-64.90000112.3W634 E635 R670 L671W634-C638 PolarHBondContact O-N 3.48Å; W634-C638 VanDerWaalsContact O-N 3.11Å; W634-C638 PolarHBondContact O-SG 2.87Å; E635-C638 PolarHBondContact O-N 2.96Å; C638-R670 PolarHBondContact O-NH1 2.88Å; C638-L671 HydrophobicContact CB-CB 4.05Å; C638-L671 WeakPolarHBondContact O-CB 3.19Å
639N90Very high90.4Very high77 Ų7771.6 Ų71.641%0.41235%0.346SS..THydrogen-bonded Turntrans-90.9-0.7177.5-69.2-45.1000114.3E635 E636 L637 P641 R670E635-N639 WeakPolarHBondContact O-CB 3.35Å; E635-N639 PolarHBondContact O-N 3.08Å; E635-N639 PolarHBondContact O-ND2 3.09Å; E636-N639 CarbonylContact O-C 3.52Å; E636-N639 PolarHBondContact O-N 3.28Å; L637-N639 VanDerWaalsContact C-N 3.25Å; L637-N639 PolarHBondContact O-N 2.88Å; N639-P641 WeakPolarHBondContact O-CD 3.35Å; N639-R670 VanDerWaalsContact OD1-CZ 3.29Å; N639-R670 PolarHBondContact OD1-NH1 3.11Å; N639-R670 PolarHBondContact OD1-NH2 2.89Å
640N91.3Very high90.5Very high42 Ų4265.6 Ų65.623%0.22532%0.32CS..  trans-84.9119.8-175.7-169.2-40.2000111.8I630 E636 L637 K642 M643 E644I630-N640 WeakPolarHBondContact CG2-ND2 3.44Å; E636-N640 WeakPolarHBondContact O-CB 3.38Å; E636-N640 PolarHBondContact O-N 2.99Å; L637-N640 PolarHBondContact O-N 3.1Å; N640-K642 PolarHBondContact O-N 3.12Å; N640-K642 WeakPolarHBondContact OD1-CB 3.32Å; N640-K642 PolarHBondContact OD1-N 3.02Å; N640-M643 HydrophobicContact CB-CB 4.09Å; N640-M643 HydrophobicContact CB-CG 3.98Å; N640-M643 WeakPolarHBondContact O-CB 3.46Å; N640-M643 PolarHBondContact O-N 2.84Å; N640-E644 PolarHBondContact O-N 2.78Å
641P90.1Very high90.6Very high92 Ų9264.2 Ų64.260%0.59731%0.313SS*.Hα-helixtrans-60.5-29.4179.7-24.734.6000114.2N639 K645N639-P641 WeakPolarHBondContact O-CD 3.35Å; P641-K645 PolarHBondContact O-N 2.84Å; P641-K645 VanDerWaalsContact O-N 3.11Å
642K91.1Very high90.9Very high154 Ų15457.7 Ų57.767%0.6729%0.289SS*.Hα-helixtrans-69.8-37.5175.6-63.8-177.5-179.3177.80111.2I630 N640 K645 E646I630-K642 HydrophobicContact CD1-CB 3.66Å; N640-K642 PolarHBondContact O-N 3.12Å; N640-K642 WeakPolarHBondContact OD1-CB 3.32Å; N640-K642 PolarHBondContact OD1-N 3.02Å; K642-K645 PolarHBondContact O-N 2.82Å; K642-E646 PolarHBondContact O-N 3.47Å; K642-E646 VanDerWaalsContact O-N 3.09Å
643M93.1Very high91.1Very high0 Ų061.3 Ų61.30%030%0.298CS..Hα-helixtrans-67.4-43.1174.3-73.1-56.9-58.200111.3L621 L624 A625 V628 I630 L637 N640 K645 E646 V647 L671L621-M643 HydrophobicContact CD1-CE 3.69Å; L621-M643 HydrophobicContact CG-CE 4.13Å; L624-M643 HydrophobicContact CD2-CE 4.47Å; A625-M643 HydrophobicContact CB-CE 3.92Å; A625-M643 HydrophobicContact CB-SD 4.01Å; V628-M643 HydrophobicContact CG2-SD 4.04Å; I630-M643 HydrophobicContact CB-CG 4.43Å; I630-M643 HydrophobicContact CB-SD 3.87Å; I630-M643 HydrophobicContact CD1-CG 3.97Å; I630-M643 HydrophobicContact CD1-SD 3.49Å; I630-M643 WeakPolarHBondContact CD1-SD 3.24Å; I630-M643 HydrophobicContact CG1-SD 4.22Å; I630-M643 HydrophobicContact CG2-CG 3.94Å; I630-M643 HydrophobicContact CG2-SD 4.04Å; L637-M643 HydrophobicContact CD2-CG 4.12Å; L637-M643 HydrophobicContact CD2-SD 4.45Å; L637-M643 WeakPolarHBondContact O-CB 3.24Å; N640-M643 HydrophobicContact CB-CB 4.09Å; N640-M643 HydrophobicContact CB-CG 3.98Å; N640-M643 WeakPolarHBondContact O-CB 3.46Å; N640-M643 PolarHBondContact O-N 2.84Å; M643-K645 VanDerWaalsContact C-N 3.27Å; M643-K645 PolarHBondContact O-N 3.11Å; M643-E646 PolarHBondContact O-N 3.15Å; M643-V647 WeakPolarHBondContact O-CG2 3.25Å; M643-V647 PolarHBondContact O-N 2.73Å; M643-L671 HydrophobicContact CB-CD1 4.29Å
644E93.4Very high90.9Very high22 Ų2258.9 Ų58.910%0.10329%0.286CS..Hα-helixtrans-55.6-43.9174.2-73.2-177.3165.400111.3N640 L648 I669 R670 L671 R704N640-E644 PolarHBondContact O-N 2.78Å; E644-L648 VanDerWaalsContact O-CB 3.23Å; E644-L648 WeakPolarHBondContact O-CB 3.5Å; E644-L648 PolarHBondContact O-N 2.95Å; E644-I669 HydrophobicContact CB-CG1 4.38Å; E644-I669 WeakPolarHBondContact O-CD1 3.44Å; E644-R670 VanDerWaalsContact OE1-CD 3.28Å; E644-R670 WeakPolarHBondContact OE1-CD 3.43Å; E644-R670 IonicContact OE1-NH1 2.68Å; E644-R670 PolarHBondContact OE1-NH1 3.11Å; E644-L671 HydrophobicContact CG-CD1 4.32Å; E644-L671 HydrophobicContact CG-CG 4.09Å; E644-R704 IonicContact OE1-NH1 3.94Å; E644-R704 IonicContact OE1-NH2 3.75Å; E644-R704 PolarHBondContact OE1-NH2 3.41Å; E644-R704 IonicContact OE2-CZ 2.95Å; E644-R704 IonicContact OE2-NH2 3.21Å; E644-R704 PolarHBondContact OE2-NH2 2.66Å; E644-R704 VanDerWaalsContact OE2-NH2 3.1Å
645K92.7Very high90.9Very high161 Ų16156.1 Ų56.170%0.728%0.275SS*.Hα-helixtrans-64.3-41178-170.2177.9-178.7-179.80112.9P641 K642 M643 R649P641-K645 PolarHBondContact O-N 2.84Å; P641-K645 VanDerWaalsContact O-N 3.11Å; K642-K645 PolarHBondContact O-N 2.82Å; M643-K645 VanDerWaalsContact C-N 3.27Å; M643-K645 PolarHBondContact O-N 3.11Å; K645-R649 PolarHBondContact O-N 3.09Å
646E93.1Very high90.8Very high41 Ų4154.7 Ų54.719%0.19228%0.275CS..Hα-helixtrans-71-42.7-179.8-171.460.5-157.500111.8L624 V628 K642 M643 L648 R649 V650L624-E646 HydrophobicContact CD1-CG 4Å; L624-E646 HydrophobicContact CD2-CG 4.03Å; L624-E646 HydrophobicContact CG-CG 4.15Å; V628-E646 HydrophobicContact CG1-CG 3.91Å; K642-E646 PolarHBondContact O-N 3.47Å; K642-E646 VanDerWaalsContact O-N 3.09Å; M643-E646 PolarHBondContact O-N 3.15Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 2.8Å; E646-R649 WeakPolarHBondContact O-CB 3.44Å; E646-R649 PolarHBondContact O-N 3.22Å; E646-R649 VanDerWaalsContact O-N 3.17Å; E646-R649 IonicContact OE1-CZ 3.58Å; E646-R649 IonicContact OE1-NE 2.69Å; E646-R649 PolarHBondContact OE1-NE 3.25Å; E646-R649 IonicContact OE1-NH2 3.05Å; E646-R649 PolarHBondContact OE1-NH2 3.41Å; E646-R649 IonicContact OE2-NE 2.68Å; E646-V650 PolarHBondContact O-N 2.89Å
647V93.4Very high90.4Very high0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-63.1-40.9175175.50000110.4L621 L624 M643 R649 V650 I651 I669 L671L621-V647 HydrophobicContact CD1-CG2 3.54Å; L624-V647 HydrophobicContact CD2-CG2 4.04Å; M643-V647 WeakPolarHBondContact O-CG2 3.25Å; M643-V647 PolarHBondContact O-N 2.73Å; V647-R649 VanDerWaalsContact C-N 3.3Å; V647-R649 PolarHBondContact O-N 3.3Å; V647-V650 PolarHBondContact O-N 2.85Å; V647-I651 HydrophobicContact CG1-CD1 3.7Å; V647-I651 HydrophobicContact CG1-CG1 4.19Å; V647-I651 WeakPolarHBondContact O-CB 3.45Å; V647-I651 VanDerWaalsContact O-CG1 3.29Å; V647-I651 WeakPolarHBondContact O-CG1 3.28Å; V647-I651 PolarHBondContact O-N 3.12Å; V647-I669 HydrophobicContact CB-CD1 3.79Å; V647-I669 HydrophobicContact CG1-CD1 3.63Å; V647-L671 HydrophobicContact CB-CD2 4.21Å; V647-L671 HydrophobicContact CG1-CD2 3.91Å; V647-L671 HydrophobicContact CG2-CD1 4.13Å; V647-L671 HydrophobicContact CG2-CD2 4.29Å
648L94.6Very high89.7Confident32 Ų3256.7 Ų56.717%0.16830%0.296CS..Hα-helixtrans-58.6-39.7174.2173.765.1000112.3E644 E646 I651 T652 P666 K667 I669E644-L648 VanDerWaalsContact O-CB 3.23Å; E644-L648 WeakPolarHBondContact O-CB 3.5Å; E644-L648 PolarHBondContact O-N 2.95Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 2.8Å; L648-I651 PolarHBondContact O-N 3.27Å; L648-T652 WeakPolarHBondContact O-CB 3.16Å; L648-T652 PolarHBondContact O-N 3.28Å; L648-T652 PolarHBondContact O-OG1 2.84Å; L648-P666 VanDerWaalsContact CD1-O 3.26Å; L648-P666 WeakPolarHBondContact CD1-O 3.24Å; L648-K667 WeakPolarHBondContact CD2-O 3.46Å; L648-I669 HydrophobicContact CB-CD1 4Å; L648-I669 HydrophobicContact CB-CG1 4.15Å; L648-I669 HydrophobicContact CD1-CG2 4.05Å
649R94Very high89.1Confident109 Ų10965.1 Ų65.141%0.41133%0.333SS..Hα-helixtrans-58.8-49.6175.8-173.6-172.46877.6-0.1110.8K645 E646 V647 T652 E653K645-R649 PolarHBondContact O-N 3.09Å; E646-R649 WeakPolarHBondContact O-CB 3.44Å; E646-R649 PolarHBondContact O-N 3.22Å; E646-R649 VanDerWaalsContact O-N 3.17Å; E646-R649 IonicContact OE1-CZ 3.58Å; E646-R649 IonicContact OE1-NE 2.69Å; E646-R649 PolarHBondContact OE1-NE 3.25Å; E646-R649 IonicContact OE1-NH2 3.05Å; E646-R649 PolarHBondContact OE1-NH2 3.41Å; E646-R649 IonicContact OE2-NE 2.68Å; V647-R649 VanDerWaalsContact C-N 3.3Å; V647-R649 PolarHBondContact O-N 3.3Å; R649-T652 WeakPolarHBondContact O-CB 3.33Å; R649-T652 PolarHBondContact O-N 2.98Å; R649-E653 IonicContact CZ-OE1 2.69Å; R649-E653 IonicContact NH1-OE1 3.77Å; R649-E653 PolarHBondContact NH1-OE1 2.88Å; R649-E653 IonicContact NH1-OE2 2.71Å; R649-E653 PolarHBondContact NH1-OE2 3.29Å; R649-E653 VanDerWaalsContact NH1-OE2 3.15Å; R649-E653 WeakPolarHBondContact O-CG 3.47Å; R649-E653 PolarHBondContact O-N 2.62Å
650V91.1Very high88.7Confident31 Ų3162 Ų6219%0.18832%0.316CS..Hα-helixtrans-66-40.4-179.6-176.70000111.7L595 E646 V647 T652 E653 A654L595-V650 HydrophobicContact CD1-CB 3.62Å; L595-V650 HydrophobicContact CD1-CG1 3.49Å; L595-V650 VanDerWaalsContact CD1-CG1 3.49Å; L595-V650 HydrophobicContact CD1-CG2 3.86Å; E646-V650 PolarHBondContact O-N 2.89Å; V647-V650 PolarHBondContact O-N 2.85Å; V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 PolarHBondContact O-N 3.47Å; V650-E653 PolarHBondContact O-N 3.38Å; V650-A654 PolarHBondContact O-N 2.8Å
651I91.6Very high88.2Confident0 Ų065.3 Ų65.30%033%0.33CS..Hα-helixtrans-61.3-42.5174.7-70.4175.2000110.9L590 I596 V614 V647 L648 E653 A654 A655 I669L590-I651 HydrophobicContact CD1-CG2 3.89Å; L590-I651 HydrophobicContact CD2-CG2 3.8Å; L590-I651 HydrophobicContact CG-CG2 4.41Å; I596-I651 HydrophobicContact CD1-CD1 3.68Å; I596-I651 HydrophobicContact CD1-CG1 3.67Å; I596-I651 HydrophobicContact CG1-CD1 4.17Å; I596-I651 HydrophobicContact CG1-CG1 4.29Å; V614-I651 HydrophobicContact CG2-CD1 3.93Å; V647-I651 HydrophobicContact CG1-CD1 3.7Å; V647-I651 HydrophobicContact CG1-CG1 4.19Å; V647-I651 WeakPolarHBondContact O-CB 3.45Å; V647-I651 VanDerWaalsContact O-CG1 3.29Å; V647-I651 WeakPolarHBondContact O-CG1 3.28Å; V647-I651 PolarHBondContact O-N 3.12Å; L648-I651 PolarHBondContact O-N 3.27Å; I651-E653 PolarHBondContact O-N 2.95Å; I651-A654 PolarHBondContact O-N 2.95Å; I651-A655 WeakPolarHBondContact O-CB 3.37Å; I651-A655 PolarHBondContact O-N 3.34Å; I651-I669 HydrophobicContact CD1-CD1 4.06Å; I651-I669 HydrophobicContact CD1-CG2 4.43Å
652T91.3Very high87.9Confident51 Ų5169.5 Ų69.531%0.31334%0.339SS..Hα-helixtrans-62.6-43178-59.40000111.1L648 R649 V650 A655 V656 I665L648-T652 WeakPolarHBondContact O-CB 3.16Å; L648-T652 PolarHBondContact O-N 3.28Å; L648-T652 PolarHBondContact O-OG1 2.84Å; R649-T652 WeakPolarHBondContact O-CB 3.33Å; R649-T652 PolarHBondContact O-N 2.98Å; V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 PolarHBondContact O-N 3.47Å; T652-A655 WeakPolarHBondContact O-CB 3.17Å; T652-A655 PolarHBondContact O-N 3.09Å; T652-V656 WeakPolarHBondContact O-CG2 3.18Å; T652-V656 PolarHBondContact O-N 3.1Å; T652-I665 HydrophobicContact CG2-CG2 4.25Å
653E89.6Confident87.5Confident105 Ų10565.1 Ų65.149%0.49132%0.32SS..Hα-helixtrans-62.7-42.8176.3-73.5169.7-17200112.1R649 V650 I651 S657R649-E653 IonicContact CZ-OE1 2.69Å; R649-E653 IonicContact NH1-OE1 3.77Å; R649-E653 PolarHBondContact NH1-OE1 2.88Å; R649-E653 IonicContact NH1-OE2 2.71Å; R649-E653 PolarHBondContact NH1-OE2 3.29Å; R649-E653 VanDerWaalsContact NH1-OE2 3.15Å; R649-E653 WeakPolarHBondContact O-CG 3.47Å; R649-E653 PolarHBondContact O-N 2.62Å; V650-E653 PolarHBondContact O-N 3.38Å; I651-E653 PolarHBondContact O-N 2.95Å; E653-S657 WeakPolarHBondContact O-CB 3.38Å; E653-S657 PolarHBondContact O-N 3.47Å
654A85.3Confident87.1Confident24 Ų2465.6 Ų65.620%0.19832%0.322CS..Hα-helixtrans-62.7-45.4174.800000111.7C593 V650 I651 V656 S657 D658C593-A654 HydrophobicContact CB-CB 4.38Å; V650-A654 PolarHBondContact O-N 2.8Å; I651-A654 PolarHBondContact O-N 2.95Å; A654-V656 PolarHBondContact O-N 2.98Å; A654-S657 WeakPolarHBondContact O-CB 3.37Å; A654-S657 PolarHBondContact O-N 3.29Å; A654-D658 PolarHBondContact O-N 2.81Å
655A85.8Confident87.1Confident0 Ų065.2 Ų65.20%032%0.321CS..Hα-helixtrans-58.5-45.8179.300000112.8L590 I651 T652 D658 K659 L660 I665L590-A655 HydrophobicContact CD2-CB 3.76Å; I651-A655 WeakPolarHBondContact O-CB 3.37Å; I651-A655 PolarHBondContact O-N 3.34Å; T652-A655 WeakPolarHBondContact O-CB 3.17Å; T652-A655 PolarHBondContact O-N 3.09Å; A655-D658 CarbonylContact O-C 3.57Å; A655-D658 PolarHBondContact O-N 3.3Å; A655-K659 PolarHBondContact O-N 3Å; A655-L660 HydrophobicContact CB-CB 4.36Å; A655-L660 HydrophobicContact CB-CD1 4Å; A655-L660 PolarHBondContact O-N 3.02Å; A655-I665 HydrophobicContact CB-CB 4.42Å; A655-I665 HydrophobicContact CB-CD1 3.89Å; A655-I665 HydrophobicContact CB-CG1 3.8Å; A655-I665 HydrophobicContact CB-CG2 3.91Å
656V86.2Confident87.1Confident94 Ų9457.6 Ų57.657%0.5729%0.288SS*.Hα-helixtrans-66.5-42.1178172.70000110.8T652 A654 D658 K659 I665T652-V656 WeakPolarHBondContact O-CG2 3.18Å; T652-V656 PolarHBondContact O-N 3.1Å; A654-V656 PolarHBondContact O-N 2.98Å; V656-D658 PolarHBondContact O-N 2.75Å; V656-K659 PolarHBondContact O-N 3.37Å; V656-K659 VanDerWaalsContact O-N 3.13Å; V656-I665 HydrophobicContact CG2-CD1 3.69Å
657S80.6Confident87.1Confident90 Ų9061.6 Ų61.663%0.62930%0.304SS*.Hα-helixtrans-59.8-37.1177-178.70000112.2E653 A654 K659E653-S657 WeakPolarHBondContact O-CB 3.38Å; E653-S657 PolarHBondContact O-N 3.47Å; A654-S657 WeakPolarHBondContact O-CB 3.37Å; A654-S657 PolarHBondContact O-N 3.29Å; S657-K659 VanDerWaalsContact C-N 3.31Å
658D75.1Confident87.2Confident65 Ų6565.5 Ų65.535%0.34832%0.321SS..THydrogen-bonded Turntrans-91.512.9179.4-75.4-22000113.9V589 A654 A655 V656V589-D658 HydrophobicContact CG1-CB 3.39Å; A654-D658 PolarHBondContact O-N 2.81Å; A655-D658 CarbonylContact O-C 3.57Å; A655-D658 PolarHBondContact O-N 3.3Å; V656-D658 PolarHBondContact O-N 2.75Å
659K78.7Confident87.2Confident177 Ų17764.3 Ų64.377%0.7732%0.315SS*.THydrogen-bonded Turntrans62.238.5172.4-49.5-179.6-179.9-174.70114.4A655 V656 S657A655-K659 PolarHBondContact O-N 3Å; V656-K659 PolarHBondContact O-N 3.37Å; V656-K659 VanDerWaalsContact O-N 3.13Å; S657-K659 VanDerWaalsContact C-N 3.31Å
660L80.4Confident87.3Confident12 Ų1260.7 Ų60.76%0.06330%0.301CS..  trans-70.9142.4161.6-70.1-179000110.1K585 V586 V589 L590 A655 E664 I665K585-L660 HydrophobicContact CG-CD2 4.41Å; V586-L660 HydrophobicContact CG1-CD1 4.34Å; V589-L660 HydrophobicContact CB-CD1 4.15Å; V589-L660 HydrophobicContact CB-CD2 4.26Å; V589-L660 HydrophobicContact CB-CG 4.31Å; V589-L660 HydrophobicContact CG1-CD1 3.93Å; V589-L660 HydrophobicContact CG1-CD2 4.39Å; V589-L660 HydrophobicContact CG1-CG 3.95Å; V589-L660 HydrophobicContact CG2-CD2 4.07Å; L590-L660 HydrophobicContact CD2-CD1 4.24Å; L590-L660 HydrophobicContact CG-CD1 4.23Å; A655-L660 HydrophobicContact CB-CB 4.36Å; A655-L660 HydrophobicContact CB-CD1 4Å; A655-L660 PolarHBondContact O-N 3.02Å; L660-E664 HydrophobicContact CB-CB 4.37Å; L660-I665 HydrophobicContact CB-CG1 4.11Å
661E80.1Confident87.5Confident111 Ų11159.3 Ų59.352%0.51929%0.293SS..  trans-70.8152.4175.9-64.7-61.7156.900110.7F663 E664 I665E661-F663 HydrophobicContact CB-CD1 3.78Å; E661-F663 HydrophobicContact CB-CE1 3.34Å; E661-F663 HydrophobicContact CB-CZ 3.75Å; E661-F663 HydrophobicContact CG-CE1 3.86Å; E661-F663 HydrophobicContact CG-CZ 4.08Å; E661-F663 PolarHBondContact O-N 2.91Å; E661-E664 HydrophobicContact CB-CG 4.05Å; E661-E664 PolarHBondContact N-OE2 2.9Å; E661-E664 WeakPolarHBondContact O-CA 3.25Å; E661-E664 WeakPolarHBondContact O-CB 3.45Å; E661-E664 PolarHBondContact O-N 2.99Å; E661-I665 WeakPolarHBondContact O-CG1 3.48Å; E661-I665 PolarHBondContact O-N 3.44Å
662K84.5Confident87.5Confident180 Ų18059.7 Ų59.778%0.78330%0.295SS*.THydrogen-bonded Turntrans-55.6-33.4-173.7-71.7-177.5-179.9176.20114.3
663F82.1Confident87.3Confident63 Ų6358.9 Ų58.928%0.27629%0.292SS..THydrogen-bonded Turntrans-80.3-17.3179.464-93.8000112.8L575 E579 V581 V610 E661L575-F663 HydrophobicContact CD1-CB 4.36Å; E579-F663 HydrophobicContact CB-CD2 3.84Å; E579-F663 HydrophobicContact CB-CE2 4Å; E579-F663 HydrophobicContact CB-CG 4.15Å; E579-F663 HydrophobicContact CB-CZ 4.42Å; E579-F663 HydrophobicContact CG-CD1 4.3Å; E579-F663 HydrophobicContact CG-CD2 4.44Å; E579-F663 HydrophobicContact CG-CG 4.26Å; V581-F663 HydrophobicContact CG2-CD2 3.73Å; V581-F663 HydrophobicContact CG2-CE2 4.14Å; V610-F663 WeakPolarHBondContact CG2-O 3.43Å; E661-F663 HydrophobicContact CB-CD1 3.78Å; E661-F663 HydrophobicContact CB-CE1 3.34Å; E661-F663 HydrophobicContact CB-CZ 3.75Å; E661-F663 HydrophobicContact CG-CE1 3.86Å; E661-F663 HydrophobicContact CG-CZ 4.08Å; E661-F663 PolarHBondContact O-N 2.91Å
664E86.2Confident87.1Confident10 Ų1059.2 Ų59.25%0.04729%0.294CS..THydrogen-bonded Turntrans-82.8-21.6175.1-63.3-178.7131.700112.3K585 V586 L660 E661 P666K585-E664 IonicContact NZ-OE1 3.25Å; K585-E664 PolarHBondContact NZ-OE1 3.28Å; K585-E664 IonicContact NZ-OE2 2.8Å; K585-E664 PolarHBondContact NZ-OE2 3.15Å; V586-E664 HydrophobicContact CG2-CB 3.86Å; V586-E664 WeakPolarHBondContact CG2-O 3.4Å; L660-E664 HydrophobicContact CB-CB 4.37Å; E661-E664 HydrophobicContact CB-CG 4.05Å; E661-E664 PolarHBondContact N-OE2 2.9Å; E661-E664 WeakPolarHBondContact O-CA 3.25Å; E661-E664 WeakPolarHBondContact O-CB 3.45Å; E661-E664 PolarHBondContact O-N 2.99Å; E664-P666 WeakPolarHBondContact O-CD 3.22Å
665I91.9Very high87.1Confident14 Ų1462 Ų627%0.07231%0.31CS..SBendtrans-75.8125.2-176-54.3-179.6000110T652 A655 V656 L660 E661 K667T652-I665 HydrophobicContact CG2-CG2 4.25Å; A655-I665 HydrophobicContact CB-CB 4.42Å; A655-I665 HydrophobicContact CB-CD1 3.89Å; A655-I665 HydrophobicContact CB-CG1 3.8Å; A655-I665 HydrophobicContact CB-CG2 3.91Å; V656-I665 HydrophobicContact CG2-CD1 3.69Å; L660-I665 HydrophobicContact CB-CG1 4.11Å; E661-I665 WeakPolarHBondContact O-CG1 3.48Å; E661-I665 PolarHBondContact O-N 3.44Å; I665-K667 PolarHBondContact O-N 3.43Å
666P93.8Very high87.2Confident1 Ų162.6 Ų62.61%0.00631%0.312CS..  trans-56.1131.1176.3-25.334.7000111.7V586 L590 V610 S612 L648 E664 I669V586-P666 HydrophobicContact CG1-CG 4.28Å; L590-P666 HydrophobicContact CD1-CG 3.78Å; V610-P666 HydrophobicContact CG1-CG 4.42Å; V610-P666 CarbonylContact O-C 3.54Å; V610-P666 VanDerWaalsContact O-CA 3.29Å; V610-P666 WeakPolarHBondContact O-CA 3.49Å; S612-P666 WeakPolarHBondContact OG-CB 3.24Å; S612-P666 WeakPolarHBondContact OG-CG 3.01Å; L648-P666 VanDerWaalsContact CD1-O 3.26Å; L648-P666 WeakPolarHBondContact CD1-O 3.24Å; E664-P666 WeakPolarHBondContact O-CD 3.22Å; P666-I669 HydrophobicContact CB-CG2 4.41Å
667K93.9Very high86.8Confident124 Ų12460 Ų6054%0.53930%0.296SS..SBendtrans-90.3-22.8177.1-71.1-66.7-174.9179.80113.5Y609 V610 L648 I665Y609-K667 HydrophobicContact CD2-CB 3.62Å; Y609-K667 HydrophobicContact CD2-CG 4.04Å; Y609-K667 HydrophobicContact CE2-CB 4.24Å; Y609-K667 HydrophobicContact CG-CB 4.04Å; Y609-K667 HydrophobicContact CG-CG 3.95Å; V610-K667 PolarHBondContact O-N 3.28Å; L648-K667 WeakPolarHBondContact CD2-O 3.46Å; I665-K667 PolarHBondContact O-N 3.43Å
668K94.1Very high86.4Confident83 Ų8356.3 Ų56.336%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-142.6149.8178.7-64.2177.3-177.3175.90108.9Y609 I611 S612 M705Y609-K668 HydrophobicContact CE2-CD 4.33Å; Y609-K668 PolarHBondContact OH-NZ 2.81Å; I611-K668 WeakPolarHBondContact CA-O 3.46Å; I611-K668 HydrophobicContact CG2-CB 4.1Å; S612-K668 PolarHBondContact N-O 3.16Å; S612-K668 VanDerWaalsContact N-O 3.07Å; K668-M705 HydrophobicContact CB-CB 4.24Å; K668-M705 HydrophobicContact CB-CG 3.99Å; K668-M705 HydrophobicContact CB-SD 3.88Å; K668-M705 HydrophobicContact CD-CB 4.09Å; K668-M705 HydrophobicContact CD-CG 4.38Å; K668-M705 WeakPolarHBondContact CD-O 3.48Å; K668-M705 WeakPolarHBondContact CE-O 3.36Å; K668-M705 PolarHBondContact NZ-O 3.29Å
669I95.6Very high86Confident6 Ų658.9 Ų58.93%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-134.7159.7178.566.3174.6000111.8S612 V614 E644 V647 L648 I651 P666 L671S612-I669 CarbonylContact O-C 3.57Å; S612-I669 WeakPolarHBondContact O-CA 3.44Å; V614-I669 HydrophobicContact CG2-CB 4.36Å; V614-I669 HydrophobicContact CG2-CG2 4.34Å; E644-I669 HydrophobicContact CB-CG1 4.38Å; E644-I669 WeakPolarHBondContact O-CD1 3.44Å; V647-I669 HydrophobicContact CB-CD1 3.79Å; V647-I669 HydrophobicContact CG1-CD1 3.63Å; L648-I669 HydrophobicContact CB-CD1 4Å; L648-I669 HydrophobicContact CB-CG1 4.15Å; L648-I669 HydrophobicContact CD1-CG2 4.05Å; I651-I669 HydrophobicContact CD1-CD1 4.06Å; I651-I669 HydrophobicContact CD1-CG2 4.43Å; P666-I669 HydrophobicContact CB-CG2 4.41Å; I669-L671 HydrophobicContact CD1-CD2 4.05Å
670R95.3Very high85.8Confident34 Ų3453.3 Ų53.313%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-123.2126.9167.8178.562.1173.6128.35.5109.5S612 F613 V614 C638 N639 E644 Y698 D701 M705S612-R670 PolarHBondContact O-N 2.96Å; F613-R670 WeakPolarHBondContact CA-O 3.44Å; F613-R670 HydrophobicContact CD1-CB 4.05Å; V614-R670 PolarHBondContact N-O 3.01Å; C638-R670 PolarHBondContact O-NH1 2.88Å; N639-R670 VanDerWaalsContact OD1-CZ 3.29Å; N639-R670 PolarHBondContact OD1-NH1 3.11Å; N639-R670 PolarHBondContact OD1-NH2 2.89Å; E644-R670 VanDerWaalsContact OE1-CD 3.28Å; E644-R670 WeakPolarHBondContact OE1-CD 3.43Å; E644-R670 IonicContact OE1-NH1 2.68Å; E644-R670 PolarHBondContact OE1-NH1 3.11Å; R670-Y698 HydrophobicContact CG-CD1 4.22Å; R670-Y698 HydrophobicContact CG-CE1 4.33Å; R670-D701 HydrophobicContact CB-CB 4.49Å; R670-D701 VanDerWaalsContact CD-OD1 3.28Å; R670-D701 WeakPolarHBondContact CD-OD1 3.48Å; R670-D701 HydrophobicContact CG-CB 4.1Å; R670-D701 WeakPolarHBondContact CG-OD2 3.41Å; R670-D701 IonicContact CZ-OD1 2.67Å; R670-D701 VanDerWaalsContact NE-CG 3.26Å; R670-D701 IonicContact NE-OD1 3.73Å; R670-D701 PolarHBondContact NE-OD1 2.88Å; R670-D701 IonicContact NE-OD2 4Å; R670-D701 PolarHBondContact NE-OD2 3.08Å; R670-M705 HydrophobicContact CB-CE 3.95Å; R670-M705 HydrophobicContact CB-SD 4.43Å
671L94.7Very high85.5Confident1 Ų154 Ų541%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-86.8134.3174.9-56.4176.6000110.6V614 P616 L621 C638 M643 E644 V647 I669V614-L671 HydrophobicContact CB-CD2 4.05Å; V614-L671 HydrophobicContact CG1-CD2 4.12Å; V614-L671 CarbonylContact O-C 3.5Å; V614-L671 WeakPolarHBondContact O-CA 3.12Å; P616-L671 HydrophobicContact CG-CB 4.5Å; P616-L671 HydrophobicContact CG-CD2 4.45Å; L621-L671 HydrophobicContact CD1-CD1 4.41Å; C638-L671 HydrophobicContact CB-CB 4.05Å; C638-L671 WeakPolarHBondContact O-CB 3.19Å; M643-L671 HydrophobicContact CB-CD1 4.29Å; E644-L671 HydrophobicContact CG-CD1 4.32Å; E644-L671 HydrophobicContact CG-CG 4.09Å; V647-L671 HydrophobicContact CB-CD2 4.21Å; V647-L671 HydrophobicContact CG1-CD2 3.91Å; V647-L671 HydrophobicContact CG2-CD1 4.13Å; V647-L671 HydrophobicContact CG2-CD2 4.29Å; I669-L671 HydrophobicContact CD1-CD2 4.05Å
672S92.3Very high85.5Confident8 Ų849.3 Ų49.36%0.05625%0.249CC..  trans-100.1121.6175.8-171.50000110.3V614 P616 E674 Y698V614-S672 PolarHBondContact O-N 2.76Å; P616-S672 WeakPolarHBondContact CD-O 3.34Å; S672-E674 VanDerWaalsContact C-N 3.29Å; S672-E674 PolarHBondContact OG-N 2.88Å; S672-E674 PolarHBondContact OG-O 2.79Å; S672-Y698 WeakPolarHBondContact CB-OH 3.36Å; S672-Y698 PolarHBondContact OG-OH 3.32Å
673S87.4Confident85.1Confident35 Ų3540.7 Ų40.725%0.24521%0.212CC..SBendtrans-72.6-25.4170.851.90000112.2W634W634-S673 PolarHBondContact NE1-O 3.21Å
674E84.9Confident84.6Confident112 Ų11238.4 Ų38.452%0.52320%0.203SC..SBendtrans-92.1133.2178.7-63.1-166.4161.100111.7S672S672-E674 VanDerWaalsContact C-N 3.29Å; S672-E674 PolarHBondContact OG-N 2.88Å; S672-E674 PolarHBondContact OG-O 2.79Å
675P85.4Confident83.4Confident83 Ų8338.7 Ų38.754%0.53921%0.205SC..PPolyproline II helixtrans-71.2139.917429.8-33.6000111T677P675-T677 HydrophobicContact CB-CG2 4.49Å; P675-T677 PolarHBondContact O-N 2.96Å
676W87.3Confident81.8Confident12 Ų1238.3 Ų38.35%0.04520%0.204CC..PPolyproline II helixtrans-78.9121174.7-57-15.4000110.4N598 C600 F613 V615 L682 V683 L689 L694 Y698N598-W676 HydrophobicContact CB-CD2 4.44Å; N598-W676 HydrophobicContact CB-CE3 3.74Å; N598-W676 HydrophobicContact CB-CZ3 4.04Å; C600-W676 HydrophobicContact CB-CH2 3.53Å; C600-W676 HydrophobicContact CB-CZ3 3.8Å; F613-W676 HydrophobicContact CB-CH2 4.01Å; F613-W676 HydrophobicContact CB-CZ2 3.8Å; F613-W676 WeakPolarHBondContact O-CH2 3.13Å; V615-W676 HydrophobicContact CG2-CB 4.44Å; V615-W676 HydrophobicContact CG2-CD2 3.44Å; V615-W676 VanDerWaalsContact CG2-CD2 3.44Å; V615-W676 HydrophobicContact CG2-CE3 4.08Å; V615-W676 HydrophobicContact CG2-CG 3.6Å; V615-W676 HydrophobicContact CG2-CH2 4.42Å; V615-W676 HydrophobicContact CG2-CZ2 3.86Å; W676-L682 HydrophobicContact CB-CB 4.26Å; W676-L682 VanDerWaalsContact CD1-CD1 3.43Å; W676-L682 HydrophobicContact CG-CB 4.24Å; W676-L682 HydrophobicContact CG-CD1 4.12Å; W676-V683 HydrophobicContact CB-CG1 4.08Å; W676-L689 HydrophobicContact CE3-CD2 3.66Å; W676-L689 HydrophobicContact CZ3-CD2 3.6Å; W676-L694 HydrophobicContact CD2-CD2 4.06Å; W676-L694 HydrophobicContact CE3-CD2 4.36Å; W676-L694 HydrophobicContact CH2-CD2 4.17Å; W676-L694 HydrophobicContact CZ2-CD2 3.83Å; W676-L694 HydrophobicContact CZ3-CD1 4.49Å; W676-L694 HydrophobicContact CZ3-CD2 4.42Å; W676-Y698 AromaticContact CZ2-CE2 3.95Å; W676-Y698 HydrophobicContact CZ2-CE2 3.95Å; W676-Y698 PolarHBondContact NE1-OH 2.74Å
677T78.9Confident80.5Confident38 Ų3840 Ų4023%0.23321%0.212CC..  trans-136.3159-176.960.30000109.8P675 E679 T680 G681P675-T677 HydrophobicContact CB-CG2 4.49Å; P675-T677 PolarHBondContact O-N 2.96Å; T677-E679 VanDerWaalsContact CB-OE2 3.25Å; T677-E679 WeakPolarHBondContact CB-OE2 3.48Å; T677-E679 PolarHBondContact O-N 3Å; T677-E679 PolarHBondContact OG1-OE2 3.24Å; T677-T680 PolarHBondContact N-OG1 3.28Å; T677-T680 PolarHBondContact O-N 3.06Å; T677-T680 VanDerWaalsContact O-N 3.14Å; T677-T680 PolarHBondContact O-OG1 3.39Å; T677-T680 WeakPolarHBondContact OG1-CG2 3.3Å; T677-T680 PolarHBondContact OG1-N 3.14Å; T677-G681 PolarHBondContact O-N 3.12Å
678P71.1Confident79.5Confident13 Ų1337.5 Ų37.58%0.08420%0.2CC..THydrogen-bonded Turntrans-54.3-34.2173.3-27.236000112.4T183 G681 V683 D685 F687T183-P678 HydrophobicContact CG2-CB 4.08Å; P678-G681 PolarHBondContact O-N 2.77Å; P678-G681 VanDerWaalsContact O-N 3.1Å; P678-V683 HydrophobicContact CG-CG2 4.24Å; P678-D685 WeakPolarHBondContact CB-OD1 3.36Å; P678-F687 HydrophobicContact CG-CE1 4.25Å; P678-F687 HydrophobicContact CG-CE2 4.38Å; P678-F687 HydrophobicContact CG-CZ 4.09Å
679E67.3Low79Confident120 Ų12035.4 Ų35.456%0.56119%0.193SC*.THydrogen-bonded Turntrans-67.9-34.9178.4-61.381.2-179.500113.1T677 G681T677-E679 VanDerWaalsContact CB-OE2 3.25Å; T677-E679 WeakPolarHBondContact CB-OE2 3.48Å; T677-E679 PolarHBondContact O-N 3Å; T677-E679 PolarHBondContact OG1-OE2 3.24Å; E679-G681 PolarHBondContact O-N 2.83Å
680T74.7Confident78.2Confident59 Ų5937.1 Ų37.136%0.36220%0.2SC..THydrogen-bonded Turntrans-74.2-9.8172.6610000112.6T677 L682T677-T680 PolarHBondContact N-OG1 3.28Å; T677-T680 PolarHBondContact O-N 3.06Å; T677-T680 VanDerWaalsContact O-N 3.14Å; T677-T680 PolarHBondContact O-OG1 3.39Å; T677-T680 WeakPolarHBondContact OG1-CG2 3.3Å; T677-T680 PolarHBondContact OG1-N 3.14Å; T680-L682 PolarHBondContact O-N 3.4Å
681G73.4Confident77.6Confident27 Ų2738.2 Ų38.228%0.27820%0.204SC..THydrogen-bonded Turntrans74.43.7179.200000114.6T677 P678 E679 K690T677-G681 PolarHBondContact O-N 3.12Å; P678-G681 PolarHBondContact O-N 2.77Å; P678-G681 VanDerWaalsContact O-N 3.1Å; E679-G681 PolarHBondContact O-N 2.83Å; G681-K690 WeakPolarHBondContact O-CD 3.2Å
682L80.2Confident76.9Confident12 Ų1243.7 Ų43.76%0.06323%0.228CC..SBendtrans-85.5-16.5-179-62179.1000113.4W676 T680 K690 L694 H697W676-L682 HydrophobicContact CB-CB 4.26Å; W676-L682 VanDerWaalsContact CD1-CD1 3.43Å; W676-L682 HydrophobicContact CG-CB 4.24Å; W676-L682 HydrophobicContact CG-CD1 4.12Å; T680-L682 PolarHBondContact O-N 3.4Å; L682-K690 WeakPolarHBondContact O-CB 3.14Å; L682-K690 PolarHBondContact O-N 3.39Å; L682-K690 VanDerWaalsContact O-N 3.07Å; L682-L694 HydrophobicContact CB-CD2 4.06Å; L682-L694 HydrophobicContact CB-CG 4.42Å; L682-L694 HydrophobicContact CD1-CD2 4.32Å; L682-L694 HydrophobicContact CD2-CD2 4.09Å; L682-L694 HydrophobicContact CD2-CG 4.4Å; L682-L694 HydrophobicContact CG-CD2 4.38Å; L682-H697 HydrophobicContact CD2-CB 3.93Å
683V77.5Confident76.3Confident0 Ų046.3 Ų46.30%024%0.239CC..BIsolated β-bridgetrans-127.8162.8170.7-64.70000110.8W676 P678 F687 K688 L689 K690W676-V683 HydrophobicContact CB-CG1 4.08Å; P678-V683 HydrophobicContact CG-CG2 4.24Å; V683-F687 HydrophobicContact CG2-CD1 4.39Å; V683-K688 CarbonylContact C-O 3.42Å; V683-K688 WeakPolarHBondContact CA-O 3.41Å; V683-K688 WeakPolarHBondContact CB-O 3.31Å; V683-L689 HydrophobicContact CG1-CD2 4.06Å; V683-K690 WeakPolarHBondContact O-CE 3.41Å; V683-K690 PolarHBondContact O-NZ 2.74Å
684T70Confident76.3Confident14 Ų1444.6 Ų44.69%0.08623%0.228CC..  trans-78.6171.5168.172.40000110.4S277 A686 F687 K688 K690S277-T684 WeakPolarHBondContact OG-CG2 3.36Å; T684-A686 PolarHBondContact O-N 3.42Å; T684-A686 PolarHBondContact OG1-N 3.12Å; T684-F687 WeakPolarHBondContact O-CA 3.43Å; T684-F687 PolarHBondContact O-N 2.91Å; T684-K688 HydrophobicContact CG2-CB 4.15Å; T684-K688 PolarHBondContact N-O 2.74Å; T684-K688 WeakPolarHBondContact OG1-CB 3.38Å; T684-K688 PolarHBondContact OG1-N 3.49Å; T684-K690 HydrophobicContact CG2-CD 4.46Å; T684-K690 HydrophobicContact CG2-CG 3.89Å
685D60.8Low76.4Confident17 Ų1743.4 Ų43.49%0.09122%0.221CC..THydrogen-bonded Turntrans-68.2-24.5178.5-64.40.4000113.4Y181 T183 P318 P678 F687Y181-D685 WeakPolarHBondContact CB-OD2 3.02Å; Y181-D685 HydrophobicContact CD1-CB 3.77Å; Y181-D685 WeakPolarHBondContact CD1-OD2 3.16Å; Y181-D685 HydrophobicContact CE1-CB 4.14Å; T183-D685 WeakPolarHBondContact CB-OD1 3.47Å; T183-D685 WeakPolarHBondContact CG2-OD1 3.33Å; T183-D685 VanDerWaalsContact CG2-OD2 3.25Å; T183-D685 WeakPolarHBondContact CG2-OD2 3.36Å; T183-D685 PolarHBondContact OG1-OD1 3.01Å; T183-D685 PolarHBondContact OG1-OD2 3.35Å; P318-D685 HydrophobicContact CB-CB 4.47Å; P318-D685 HydrophobicContact CG-CB 3.57Å; P678-D685 WeakPolarHBondContact CB-OD1 3.36Å; D685-F687 WeakPolarHBondContact O-CD2 3.42Å; D685-F687 PolarHBondContact O-N 2.81Å
686A58.7Low76.5Confident6 Ų644.3 Ų44.35%0.0523%0.225CC..THydrogen-bonded Turntrans-80.414.5168.200000112T684 K688T684-A686 PolarHBondContact O-N 3.42Å; T684-A686 PolarHBondContact OG1-N 3.12Å; A686-K688 HydrophobicContact CB-CG 4.26Å; A686-K688 PolarHBondContact O-N 2.82Å
687F66.9Low76.5Confident37 Ų3748.4 Ų48.416%0.16224%0.244CC..  trans56.729.8-178-69.1-96.5000114.4E374 P678 V683 T684 D685E374-F687 HydrophobicContact CB-CB 3.79Å; E374-F687 HydrophobicContact CB-CG 4.42Å; E374-F687 HydrophobicContact CG-CB 3.73Å; E374-F687 HydrophobicContact CG-CD1 4.04Å; E374-F687 HydrophobicContact CG-CG 3.96Å; P678-F687 HydrophobicContact CG-CE1 4.25Å; P678-F687 HydrophobicContact CG-CE2 4.38Å; P678-F687 HydrophobicContact CG-CZ 4.09Å; V683-F687 HydrophobicContact CG2-CD1 4.39Å; T684-F687 WeakPolarHBondContact O-CA 3.43Å; T684-F687 PolarHBondContact O-N 2.91Å; D685-F687 WeakPolarHBondContact O-CD2 3.42Å; D685-F687 PolarHBondContact O-N 2.81Å
688K73.8Confident77.2Confident70 Ų7047 Ų4730%0.30424%0.235SC..  trans-86.3142.8174.3-50.5-174.4-160.9-176.40110.4G441 V683 T684 A686 K690G441-K688 WeakPolarHBondContact O-CD 3.12Å; G441-K688 WeakPolarHBondContact O-CE 3.4Å; G441-K688 PolarHBondContact O-NZ 3.08Å; V683-K688 CarbonylContact C-O 3.42Å; V683-K688 WeakPolarHBondContact CA-O 3.41Å; V683-K688 WeakPolarHBondContact CB-O 3.31Å; T684-K688 HydrophobicContact CG2-CB 4.15Å; T684-K688 PolarHBondContact N-O 2.74Å; T684-K688 WeakPolarHBondContact OG1-CB 3.38Å; T684-K688 PolarHBondContact OG1-N 3.49Å; A686-K688 HydrophobicContact CB-CG 4.26Å; A686-K688 PolarHBondContact O-N 2.82Å; K688-K690 PolarHBondContact O-N 2.88Å
689L82.4Confident78.1Confident39 Ų3949.8 Ų49.820%0.20425%0.246CC..BIsolated β-bridgetrans-64.1131.9179.7-57.8174.5000111.7E587 I599 C600 W676 V683 R691 L694E587-L689 HydrophobicContact CG-CD1 4.39Å; I599-L689 VanDerWaalsContact O-CD1 3.23Å; I599-L689 WeakPolarHBondContact O-CD1 3.22Å; C600-L689 HydrophobicContact CB-CD1 4.08Å; W676-L689 HydrophobicContact CE3-CD2 3.66Å; W676-L689 HydrophobicContact CZ3-CD2 3.6Å; V683-L689 HydrophobicContact CG1-CD2 4.06Å; L689-R691 PolarHBondContact O-N 2.78Å; L689-L694 HydrophobicContact CB-CD1 4.02Å; L689-L694 HydrophobicContact CD2-CD1 4.13Å
690K78.4Confident79.2Confident42 Ų4252 Ų5218%0.18326%0.257CS..  trans-94.982.4171.1-77.7177.1175169.50109.2G681 L682 V683 T684 K688 K692 E693 L694G681-K690 WeakPolarHBondContact O-CD 3.2Å; L682-K690 WeakPolarHBondContact O-CB 3.14Å; L682-K690 PolarHBondContact O-N 3.39Å; L682-K690 VanDerWaalsContact O-N 3.07Å; V683-K690 WeakPolarHBondContact O-CE 3.41Å; V683-K690 PolarHBondContact O-NZ 2.74Å; T684-K690 HydrophobicContact CG2-CD 4.46Å; T684-K690 HydrophobicContact CG2-CG 3.89Å; K688-K690 PolarHBondContact O-N 2.88Å; K690-K692 VanDerWaalsContact C-N 3.3Å; K690-K692 PolarHBondContact O-N 3.41Å; K690-E693 HydrophobicContact CB-CB 4.03Å; K690-E693 HydrophobicContact CB-CG 4.23Å; K690-E693 WeakPolarHBondContact CB-OE2 3.07Å; K690-E693 HydrophobicContact CD-CG 4.49Å; K690-E693 PolarHBondContact O-N 3.05Å; K690-L694 PolarHBondContact O-N 2.74Å
691R84.2Confident80Confident58 Ų5850.4 Ų50.422%0.21925%0.246CC..Hα-helixtrans-55.3-38.8-170-67.4-171.9-175.7-66.5-11.3114.2D571 E587 A601 L689 K695D571-R691 WeakPolarHBondContact OD1-CD 3.37Å; D571-R691 IonicContact OD1-CZ 3.1Å; D571-R691 IonicContact OD1-NE 3.65Å; D571-R691 PolarHBondContact OD1-NE 3.09Å; E587-R691 VanDerWaalsContact CD-NH2 3.33Å; E587-R691 IonicContact OE1-CZ 3.58Å; E587-R691 IonicContact OE1-NH1 2.63Å; E587-R691 PolarHBondContact OE1-NH1 3Å; E587-R691 IonicContact OE1-NH2 3.93Å; E587-R691 PolarHBondContact OE1-NH2 3.49Å; E587-R691 IonicContact OE2-CZ 3.06Å; E587-R691 IonicContact OE2-NH1 3.15Å; E587-R691 IonicContact OE2-NH2 2.65Å; E587-R691 PolarHBondContact OE2-NH2 3.37Å; A601-R691 PolarHBondContact O-NH1 2.72Å; L689-R691 PolarHBondContact O-N 2.78Å; R691-K695 VanDerWaalsContact O-CB 3.31Å; R691-K695 WeakPolarHBondContact O-CB 3.43Å; R691-K695 PolarHBondContact O-N 2.89Å
692K79Confident80.9Confident115 Ų11549.6 Ų49.650%0.524%0.235SC..Hα-helixtrans-67.7-44.4-178.3-178178.9175.8179.40110.6T280 K690 K695 T696T280-K692 PolarHBondContact O-NZ 3.37Å; T280-K692 VanDerWaalsContact O-NZ 3.09Å; K690-K692 VanDerWaalsContact C-N 3.3Å; K690-K692 PolarHBondContact O-N 3.41Å; K692-K695 WeakPolarHBondContact O-CB 3.37Å; K692-K695 PolarHBondContact O-N 3.17Å; K692-T696 PolarHBondContact O-N 2.63Å; K692-T696 PolarHBondContact O-OG1 3.35Å; K692-T696 VanDerWaalsContact O-OG1 3.13Å
693E80.7Confident81.3Confident63 Ų6353.9 Ų53.929%0.29426%0.255SS..Hα-helixtrans-66.4-42.4177.1-66.476.8176.300111K690 T696 H697K690-E693 HydrophobicContact CB-CB 4.03Å; K690-E693 HydrophobicContact CB-CG 4.23Å; K690-E693 WeakPolarHBondContact CB-OE2 3.07Å; K690-E693 HydrophobicContact CD-CG 4.49Å; K690-E693 PolarHBondContact O-N 3.05Å; E693-T696 PolarHBondContact O-N 3.48Å; E693-H697 VanDerWaalsContact O-CB 3.31Å; E693-H697 WeakPolarHBondContact O-CB 3.46Å; E693-H697 PolarHBondContact O-N 3.27Å
694L87.6Confident82Confident0 Ų059.3 Ų59.30%028%0.276CS..Hα-helixtrans-61.9-43.2172.4-77.9160.9000112C600 W676 L682 L689 K690 T696 H697 Y698C600-L694 HydrophobicContact CB-CD1 3.95Å; W676-L694 HydrophobicContact CD2-CD2 4.06Å; W676-L694 HydrophobicContact CE3-CD2 4.36Å; W676-L694 HydrophobicContact CH2-CD2 4.17Å; W676-L694 HydrophobicContact CZ2-CD2 3.83Å; W676-L694 HydrophobicContact CZ3-CD1 4.49Å; W676-L694 HydrophobicContact CZ3-CD2 4.42Å; L682-L694 HydrophobicContact CB-CD2 4.06Å; L682-L694 HydrophobicContact CB-CG 4.42Å; L682-L694 HydrophobicContact CD1-CD2 4.32Å; L682-L694 HydrophobicContact CD2-CD2 4.09Å; L682-L694 HydrophobicContact CD2-CG 4.4Å; L682-L694 HydrophobicContact CG-CD2 4.38Å; L689-L694 HydrophobicContact CB-CD1 4.02Å; L689-L694 HydrophobicContact CD2-CD1 4.13Å; K690-L694 PolarHBondContact O-N 2.74Å; L694-T696 PolarHBondContact O-N 2.97Å; L694-H697 PolarHBondContact O-N 2.97Å; L694-Y698 HydrophobicContact CD2-CD2 4.24Å; L694-Y698 HydrophobicContact CD2-CE2 3.74Å; L694-Y698 VanDerWaalsContact O-CD2 3.31Å; L694-Y698 WeakPolarHBondContact O-CD2 3.44Å; L694-Y698 PolarHBondContact O-N 3.3Å
695K86.9Confident83Confident87 Ų8758.9 Ų58.938%0.37827%0.273SS..Hα-helixtrans-58.5-48.2174.5-179.9-172.5179.41670110.9Y602 R691 K692 H697 Y698 Q699 I702Y602-K695 HydrophobicContact CE2-CB 4.34Å; Y602-K695 HydrophobicContact CE2-CD 3.83Å; Y602-K695 HydrophobicContact CE2-CG 3.84Å; Y602-K695 VanDerWaalsContact OH-CE 3.26Å; Y602-K695 WeakPolarHBondContact OH-CE 3.46Å; Y602-K695 PolarHBondContact OH-NZ 3.34Å; R691-K695 VanDerWaalsContact O-CB 3.31Å; R691-K695 WeakPolarHBondContact O-CB 3.43Å; R691-K695 PolarHBondContact O-N 2.89Å; K692-K695 WeakPolarHBondContact O-CB 3.37Å; K692-K695 PolarHBondContact O-N 3.17Å; K695-H697 VanDerWaalsContact C-N 3.34Å; K695-Y698 CarbonylContact O-C 3.54Å; K695-Y698 PolarHBondContact O-N 3.46Å; K695-Q699 WeakPolarHBondContact O-CA 3.22Å; K695-Q699 PolarHBondContact O-N 3.01Å; K695-Q699 VanDerWaalsContact O-N 3.09Å; K695-I702 HydrophobicContact CB-CD1 4.44Å; K695-I702 HydrophobicContact CG-CD1 3.79Å
696T86.2Confident84.3Confident101 Ų10159.2 Ų59.262%0.6227%0.273SS*.Hα-helixtrans-63.1-41.2178-60.90000111.8K692 E693 L694K692-T696 PolarHBondContact O-N 2.63Å; K692-T696 PolarHBondContact O-OG1 3.35Å; K692-T696 VanDerWaalsContact O-OG1 3.13Å; E693-T696 PolarHBondContact O-N 3.48Å; L694-T696 PolarHBondContact O-N 2.97Å
697H88.9Confident84.9Confident99 Ų9961.2 Ų61.246%0.45829%0.294SS..Hα-helixtrans-65.3-38.9179.6-176.881.4000112.7L682 E693 L694 K695L682-H697 HydrophobicContact CD2-CB 3.93Å; E693-H697 VanDerWaalsContact O-CB 3.31Å; E693-H697 WeakPolarHBondContact O-CB 3.46Å; E693-H697 PolarHBondContact O-N 3.27Å; L694-H697 PolarHBondContact O-N 2.97Å; K695-H697 VanDerWaalsContact C-N 3.34Å
698Y92.2Very high84Confident9 Ų962.1 Ų62.14%0.03531%0.314CS..THydrogen-bonded Turntrans-101.922.9-179-65.3-69.1000113.7F613 R670 S672 W676 L694 K695 E700 D701 I702F613-Y698 HydrophobicContact CB-CD2 3.91Å; F613-Y698 HydrophobicContact CB-CE2 3.75Å; F613-Y698 HydrophobicContact CB-CG 4.45Å; F613-Y698 AromaticContact CD1-CD1 3.99Å; F613-Y698 HydrophobicContact CD1-CD1 3.99Å; F613-Y698 AromaticContact CD1-CD2 3.66Å; F613-Y698 HydrophobicContact CD1-CD2 3.66Å; F613-Y698 HydrophobicContact CD1-CE2 4.31Å; F613-Y698 AromaticContact CD1-CG 3.48Å; F613-Y698 HydrophobicContact CD1-CG 3.48Å; F613-Y698 VanDerWaalsContact CD1-CG 3.48Å; F613-Y698 AromaticContact CD2-CD2 3.7Å; F613-Y698 HydrophobicContact CD2-CD2 3.7Å; F613-Y698 HydrophobicContact CD2-CE2 4.27Å; F613-Y698 HydrophobicContact CD2-CG 4.31Å; F613-Y698 HydrophobicContact CE1-CD1 4.5Å; F613-Y698 HydrophobicContact CE1-CD2 4.14Å; F613-Y698 AromaticContact CE1-CG 3.77Å; F613-Y698 HydrophobicContact CE1-CG 3.77Å; F613-Y698 HydrophobicContact CE2-CD2 4.16Å; F613-Y698 HydrophobicContact CG-CD1 4.47Å; F613-Y698 AromaticContact CG-CD2 3.44Å; F613-Y698 HydrophobicContact CG-CD2 3.44Å; F613-Y698 VanDerWaalsContact CG-CD2 3.44Å; F613-Y698 AromaticContact CG-CE2 3.84Å; F613-Y698 HydrophobicContact CG-CE2 3.84Å; F613-Y698 AromaticContact CG-CG 3.81Å; F613-Y698 HydrophobicContact CG-CG 3.81Å; F613-Y698 HydrophobicContact CZ-CD2 4.37Å; F613-Y698 HydrophobicContact CZ-CG 4.3Å; R670-Y698 HydrophobicContact CG-CD1 4.22Å; R670-Y698 HydrophobicContact CG-CE1 4.33Å; S672-Y698 WeakPolarHBondContact CB-OH 3.36Å; S672-Y698 PolarHBondContact OG-OH 3.32Å; W676-Y698 AromaticContact CZ2-CE2 3.95Å; W676-Y698 HydrophobicContact CZ2-CE2 3.95Å; W676-Y698 PolarHBondContact NE1-OH 2.74Å; L694-Y698 HydrophobicContact CD2-CD2 4.24Å; L694-Y698 HydrophobicContact CD2-CE2 3.74Å; L694-Y698 VanDerWaalsContact O-CD2 3.31Å; L694-Y698 WeakPolarHBondContact O-CD2 3.44Å; L694-Y698 PolarHBondContact O-N 3.3Å; K695-Y698 CarbonylContact O-C 3.54Å; K695-Y698 PolarHBondContact O-N 3.46Å; Y698-E700 PolarHBondContact O-N 3.03Å; Y698-D701 WeakPolarHBondContact O-CB 3.36Å; Y698-D701 PolarHBondContact O-N 3.06Å; Y698-D701 VanDerWaalsContact O-N 3.1Å; Y698-I702 VanDerWaalsContact O-CG1 3.31Å; Y698-I702 WeakPolarHBondContact O-CG1 3.1Å; Y698-I702 PolarHBondContact O-N 2.74Å
699Q90.7Very high82.4Confident70 Ų7072.4 Ų72.433%0.32736%0.359SS..Hα-helixtrans-58.5-44.9-172.5-177.86040.700112.8K695 D701 I702 E703K695-Q699 WeakPolarHBondContact O-CA 3.22Å; K695-Q699 PolarHBondContact O-N 3.01Å; K695-Q699 VanDerWaalsContact O-N 3.09Å; Q699-D701 VanDerWaalsContact C-N 3.31Å; Q699-D701 PolarHBondContact O-N 2.89Å; Q699-I702 WeakPolarHBondContact O-CB 3.3Å; Q699-I702 PolarHBondContact O-N 2.91Å; Q699-E703 PolarHBondContact NE2-OE1 3.16Å; Q699-E703 PolarHBondContact O-N 2.94Å; Q699-E703 VanDerWaalsContact O-N 3.13Å
700E90.4Very high82.4Confident166 Ų16674.1 Ų74.178%0.77637%0.366SS*.Hα-helixtrans-63.2-38.5177-63.2-178.9179.100111.9Y698 E703 R704Y698-E700 PolarHBondContact O-N 3.03Å; E700-E703 PolarHBondContact O-N 3.05Å; E700-R704 WeakPolarHBondContact O-CB 3.36Å; E700-R704 PolarHBondContact O-N 2.96Å
701D91Very high82.6Confident27 Ų2775.8 Ų75.814%0.14438%0.376CS..Hα-helixtrans-69.7-34.5177.5-74-54.9000112.2R670 Y698 Q699 R704 M705R670-D701 HydrophobicContact CB-CB 4.49Å; R670-D701 VanDerWaalsContact CD-OD1 3.28Å; R670-D701 WeakPolarHBondContact CD-OD1 3.48Å; R670-D701 HydrophobicContact CG-CB 4.1Å; R670-D701 WeakPolarHBondContact CG-OD2 3.41Å; R670-D701 IonicContact CZ-OD1 2.67Å; R670-D701 VanDerWaalsContact NE-CG 3.26Å; R670-D701 IonicContact NE-OD1 3.73Å; R670-D701 PolarHBondContact NE-OD1 2.88Å; R670-D701 IonicContact NE-OD2 4Å; R670-D701 PolarHBondContact NE-OD2 3.08Å; Y698-D701 WeakPolarHBondContact O-CB 3.36Å; Y698-D701 PolarHBondContact O-N 3.06Å; Y698-D701 VanDerWaalsContact O-N 3.1Å; Q699-D701 VanDerWaalsContact C-N 3.31Å; Q699-D701 PolarHBondContact O-N 2.89Å; D701-R704 PolarHBondContact O-N 2.85Å; D701-R704 IonicContact OD1-CZ 3.46Å; D701-R704 IonicContact OD1-NE 2.84Å; D701-R704 IonicContact OD1-NH1 3.87Å; D701-R704 IonicContact OD1-NH2 2.69Å; D701-M705 HydrophobicContact CB-CE 4.17Å; D701-M705 VanDerWaalsContact O-CB 3.32Å; D701-M705 WeakPolarHBondContact O-CB 3.32Å; D701-M705 WeakPolarHBondContact O-CE 3.37Å; D701-M705 VanDerWaalsContact O-CG 3.28Å; D701-M705 WeakPolarHBondContact O-CG 3.36Å; D701-M705 PolarHBondContact O-N 3Å
702I91.4Very high82.5Confident9 Ų976.8 Ų76.85%0.04639%0.385CS..Hα-helixtrans-61.5-49.1173.7-69.6168000109.7Y602 I611 F613 K695 Y698 Q699 M705 Y706Y602-I702 HydrophobicContact CD1-CD1 4.43Å; Y602-I702 HydrophobicContact CD1-CG1 4.47Å; Y602-I702 HydrophobicContact CD1-CG2 4.42Å; Y602-I702 HydrophobicContact CD2-CD1 4.44Å; Y602-I702 HydrophobicContact CE1-CD1 4.21Å; Y602-I702 HydrophobicContact CE1-CG1 4.45Å; Y602-I702 HydrophobicContact CE1-CG2 3.81Å; Y602-I702 HydrophobicContact CE2-CD1 4.24Å; I611-I702 HydrophobicContact CD1-CB 4.43Å; I611-I702 HydrophobicContact CD1-CG1 4.11Å; I611-I702 HydrophobicContact CD1-CG2 4.34Å; F613-I702 HydrophobicContact CE1-CG1 3.9Å; F613-I702 HydrophobicContact CZ-CD1 3.77Å; F613-I702 HydrophobicContact CZ-CG1 3.48Å; F613-I702 VanDerWaalsContact CZ-CG1 3.48Å; K695-I702 HydrophobicContact CB-CD1 4.44Å; K695-I702 HydrophobicContact CG-CD1 3.79Å; Y698-I702 VanDerWaalsContact O-CG1 3.31Å; Y698-I702 WeakPolarHBondContact O-CG1 3.1Å; Y698-I702 PolarHBondContact O-N 2.74Å; Q699-I702 WeakPolarHBondContact O-CB 3.3Å; Q699-I702 PolarHBondContact O-N 2.91Å; I702-M705 PolarHBondContact O-N 3.19Å; I702-Y706 HydrophobicContact CG2-CD2 3.86Å; I702-Y706 HydrophobicContact CG2-CE2 4.27Å; I702-Y706 PolarHBondContact O-N 3.21Å
703E89.9Confident82.7Confident103 Ų10374.5 Ų74.548%0.48138%0.378SS..Hα-helixtrans-60.7-46.7178.4-71169-163.100110.5Q699 E700 M705 Y706 G707 G708Q699-E703 PolarHBondContact NE2-OE1 3.16Å; Q699-E703 PolarHBondContact O-N 2.94Å; Q699-E703 VanDerWaalsContact O-N 3.13Å; E700-E703 PolarHBondContact O-N 3.05Å; E703-M705 VanDerWaalsContact C-N 3.31Å; E703-M705 PolarHBondContact O-N 2.7Å; E703-Y706 PolarHBondContact O-N 3.17Å; E703-G707 CarbonylContact O-C 3.58Å; E703-G707 PolarHBondContact O-N 2.83Å; E703-G708 PolarHBondContact O-N 3.4Å
704R90.9Very high82.8Confident114 Ų11475.3 Ų75.343%0.4338%0.383SS..Hα-helixtrans-56.3-43.5173.6-175.1-169.474.9163.512.1112.5E644 E700 D701E644-R704 IonicContact OE1-NH1 3.94Å; E644-R704 IonicContact OE1-NH2 3.75Å; E644-R704 PolarHBondContact OE1-NH2 3.41Å; E644-R704 IonicContact OE2-CZ 2.95Å; E644-R704 IonicContact OE2-NH2 3.21Å; E644-R704 PolarHBondContact OE2-NH2 2.66Å; E644-R704 VanDerWaalsContact OE2-NH2 3.1Å; E700-R704 WeakPolarHBondContact O-CB 3.36Å; E700-R704 PolarHBondContact O-N 2.96Å; D701-R704 PolarHBondContact O-N 2.85Å; D701-R704 IonicContact OD1-CZ 3.46Å; D701-R704 IonicContact OD1-NE 2.84Å; D701-R704 IonicContact OD1-NH1 3.87Å; D701-R704 IonicContact OD1-NH2 2.69Å
705M91.1Very high82.5Confident5 Ų580.3 Ų80.33%0.02541%0.409CS..Hα-helixtrans-75.3-40.1-176.3-76.8-172-7900112.8Y609 I611 F613 K668 R670 D701 I702 E703 G707Y609-M705 PolarHBondContact OH-O 3.37Å; Y609-M705 VanDerWaalsContact OH-O 3.07Å; I611-M705 HydrophobicContact CB-CE 4.46Å; I611-M705 HydrophobicContact CB-SD 4.09Å; I611-M705 HydrophobicContact CD1-CB 4.14Å; I611-M705 HydrophobicContact CD1-CE 3.68Å; I611-M705 HydrophobicContact CD1-SD 4.27Å; I611-M705 HydrophobicContact CG1-CE 4.5Å; I611-M705 HydrophobicContact CG2-CB 4.13Å; I611-M705 HydrophobicContact CG2-SD 4.41Å; F613-M705 HydrophobicContact CD1-CE 4.1Å; F613-M705 HydrophobicContact CE1-CE 3.62Å; K668-M705 HydrophobicContact CB-CB 4.24Å; K668-M705 HydrophobicContact CB-CG 3.99Å; K668-M705 HydrophobicContact CB-SD 3.88Å; K668-M705 HydrophobicContact CD-CB 4.09Å; K668-M705 HydrophobicContact CD-CG 4.38Å; K668-M705 WeakPolarHBondContact CD-O 3.48Å; K668-M705 WeakPolarHBondContact CE-O 3.36Å; K668-M705 PolarHBondContact NZ-O 3.29Å; R670-M705 HydrophobicContact CB-CE 3.95Å; R670-M705 HydrophobicContact CB-SD 4.43Å; D701-M705 HydrophobicContact CB-CE 4.17Å; D701-M705 VanDerWaalsContact O-CB 3.32Å; D701-M705 WeakPolarHBondContact O-CB 3.32Å; D701-M705 WeakPolarHBondContact O-CE 3.37Å; D701-M705 VanDerWaalsContact O-CG 3.28Å; D701-M705 WeakPolarHBondContact O-CG 3.36Å; D701-M705 PolarHBondContact O-N 3Å; I702-M705 PolarHBondContact O-N 3.19Å; E703-M705 VanDerWaalsContact C-N 3.31Å; E703-M705 PolarHBondContact O-N 2.7Å; M705-G707 PolarHBondContact O-N 3.22Å
706Y88.1Confident82.2Confident23 Ų2379.8 Ų79.89%0.0941%0.411CS..Hα-helixtrans-76.6-13.4174.9-77.1-59.9000113.6Y602 A603 N604 E607 Y609 I611 I702 E703Y602-Y706 AromaticContact CD1-CE2 3.83Å; Y602-Y706 HydrophobicContact CD1-CE2 3.83Å; Y602-Y706 AromaticContact CE1-CE2 3.78Å; Y602-Y706 HydrophobicContact CE1-CE2 3.78Å; Y602-Y706 PolarHBondContact O-OH 3.04Å; A603-Y706 WeakPolarHBondContact CA-OH 3.45Å; N604-Y706 HydrophobicContact CB-CE2 4.4Å; E607-Y706 HydrophobicContact CB-CD1 3.73Å; E607-Y706 HydrophobicContact CB-CE1 3.43Å; E607-Y706 VanDerWaalsContact CB-CE1 3.43Å; E607-Y706 HydrophobicContact CG-CD1 3.28Å; E607-Y706 HydrophobicContact CG-CD2 4.29Å; E607-Y706 HydrophobicContact CG-CE1 3.49Å; E607-Y706 VanDerWaalsContact CG-CE1 3.49Å; E607-Y706 HydrophobicContact CG-CE2 4.43Å; E607-Y706 HydrophobicContact CG-CG 3.72Å; E607-Y706 WeakPolarHBondContact OE2-CD1 3.28Å; Y609-Y706 HydrophobicContact CD2-CD1 4.43Å; Y609-Y706 AromaticContact CD2-CE1 3.85Å; Y609-Y706 HydrophobicContact CD2-CE1 3.85Å; Y609-Y706 HydrophobicContact CE1-CD1 4.26Å; Y609-Y706 HydrophobicContact CE1-CE1 4.4Å; Y609-Y706 AromaticContact CE2-CD1 3.73Å; Y609-Y706 HydrophobicContact CE2-CD1 3.73Å; Y609-Y706 AromaticContact CE2-CE1 3.58Å; Y609-Y706 HydrophobicContact CE2-CE1 3.58Å; Y609-Y706 HydrophobicContact CG-CE1 4.42Å; Y609-Y706 AromaticContact CZ-CD1 3.62Å; Y609-Y706 AromaticContact CZ-CE1 3.87Å; Y609-Y706 WeakPolarHBondContact O-CE1 3.46Å; Y609-Y706 PolarHBondContact O-OH 3.46Å; I611-Y706 HydrophobicContact CD1-CD2 3.92Å; I611-Y706 HydrophobicContact CD1-CE2 3.42Å; I611-Y706 VanDerWaalsContact CD1-CE2 3.42Å; I611-Y706 HydrophobicContact CG1-CE2 3.74Å; I611-Y706 HydrophobicContact CG2-CE1 3.94Å; I611-Y706 HydrophobicContact CG2-CE2 4.19Å; I702-Y706 HydrophobicContact CG2-CD2 3.86Å; I702-Y706 HydrophobicContact CG2-CE2 4.27Å; I702-Y706 PolarHBondContact O-N 3.21Å; E703-Y706 PolarHBondContact O-N 3.17Å
707G71.4Confident81.9Confident49 Ų4978.2 Ų78.251%0.50540%0.395SS..  trans90.889.1-177.300000107.9E703 M705 K709E703-G707 CarbonylContact O-C 3.58Å; E703-G707 PolarHBondContact O-N 2.83Å; M705-G707 PolarHBondContact O-N 3.22Å; G707-K709 PolarHBondContact O-N 3.08Å
708G49.1Very low81.3Confident55 Ų5576.4 Ų76.457%0.56739%0.39SS*.  trans-51.9134.3169.400000108.9E703E703-G708 PolarHBondContact O-N 3.4Å
709K39.6Very low80.3Confident287 Ų28782.5 Ų82.5100%1.24842%0.422SS*.  trans-57.30168.1-80.6-178.1176.1173.70111.2G707G707-K709 PolarHBondContact O-N 3.08Å

Retrieved 709 of 709 residues in 1690.2 ms (Link to these results)

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