A0A077ZKN9_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 531 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low57.6Low248 Ų248132 Ų132100%1.22266%0.661SS**  0126.90-79.3168.878.200108.3
2S52.5Low57.8Low79 Ų79137.7 Ų137.755%0.55267%0.669SS**  trans-61.2144.3-161177.20000114.9D4 A5S2-D4 PolarHBondContact O-N 2.61Å; S2-D4 PolarHBondContact OG-N 3.47Å; S2-D4 PolarHBondContact OG-OD2 2.89Å; S2-A5 PolarHBondContact O-N 2.81Å
3Y55.6Low58.2Low211 Ų211131.5 Ų131.583%0.82765%0.649SS**THydrogen-bonded Turntrans-46.1-21.5171-132.7-104.5000114.2A5 F6 R7Y3-A5 PolarHBondContact O-N 3.4Å; Y3-F6 PolarHBondContact O-N 3.29Å; Y3-R7 PolarHBondContact O-N 2.8Å
4D62.1Low58.8Low102 Ų102134.4 Ų134.455%0.54565%0.649SS.*Hα-helixtrans-66.2-32.6-178.7-68.4-46.2000114.2S2 F6 R7 N8S2-D4 PolarHBondContact O-N 2.61Å; S2-D4 PolarHBondContact OG-N 3.47Å; S2-D4 PolarHBondContact OG-OD2 2.89Å; D4-F6 VanDerWaalsContact C-N 3.34Å; D4-F6 PolarHBondContact O-N 2.91Å; D4-R7 PolarHBondContact O-N 3.11Å; D4-N8 PolarHBondContact O-N 2.97Å
5A60.6Low59.5Low76 Ų76133.5 Ų133.563%0.62865%0.646SS**Hα-helixtrans-66-38.7179.500000111.7S2 Y3 C9S2-A5 PolarHBondContact O-N 2.81Å; Y3-A5 PolarHBondContact O-N 3.4Å; A5-C9 PolarHBondContact O-N 3.45Å
6F59.5Low60.2Low153 Ų153137.2 Ų137.267%0.67165%0.652SS**Hα-helixtrans-69.7-39.4180-162.5-103.9000111.8Y3 D4 N8 C9 L10Y3-F6 PolarHBondContact O-N 3.29Å; D4-F6 VanDerWaalsContact C-N 3.34Å; D4-F6 PolarHBondContact O-N 2.91Å; F6-N8 PolarHBondContact O-N 3.44Å; F6-C9 PolarHBondContact O-N 3.33Å; F6-L10 HydrophobicContact CD1-CD1 3.65Å; F6-L10 HydrophobicContact CE1-CD1 3.47Å; F6-L10 VanDerWaalsContact CE1-CD1 3.47Å; F6-L10 HydrophobicContact CE1-CG 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.33Å; F6-L10 PolarHBondContact O-N 2.91Å; F6-L10 VanDerWaalsContact O-N 3.09Å
7R62.9Low61.2Low173 Ų173134.4 Ų134.465%0.65364%0.64SS**Hα-helixtrans-67.1-37179.2-151176.8-173.2-171.52.7112.3Y3 D4 K11Y3-R7 PolarHBondContact O-N 2.8Å; D4-R7 PolarHBondContact O-N 3.11Å; R7-K11 PolarHBondContact O-N 2.85Å; R7-K11 VanDerWaalsContact O-N 3.16Å
8N62.5Low61.9Low106 Ų106135.3 Ų135.357%0.56764%0.641SS**Hα-helixtrans-70.4-34.9175.5-79.5-24.7000112.8D4 F6 K11 R12D4-N8 PolarHBondContact O-N 2.97Å; F6-N8 PolarHBondContact O-N 3.44Å; N8-K11 PolarHBondContact O-N 3.05Å; N8-R12 PolarHBondContact O-N 3.35Å
9C57.3Low62.6Low88 Ų88135.8 Ų135.860%0.59564%0.641SS**Hα-helixtrans-66-44.3174.8-159.60000111.8A5 F6 K11 R12 S13A5-C9 PolarHBondContact O-N 3.45Å; F6-C9 PolarHBondContact O-N 3.33Å; C9-K11 PolarHBondContact O-N 3.03Å; C9-R12 PolarHBondContact O-N 3.46Å; C9-S13 PolarHBondContact O-N 2.91Å
10L54.2Low63.2Low82 Ų82135.1 Ų135.143%0.42964%0.641SS.*Hα-helixtrans-61.8-38.8175.9-88.8158.5000113.2F6 S13 R14F6-L10 HydrophobicContact CD1-CD1 3.65Å; F6-L10 HydrophobicContact CE1-CD1 3.47Å; F6-L10 VanDerWaalsContact CE1-CD1 3.47Å; F6-L10 HydrophobicContact CE1-CG 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.33Å; F6-L10 PolarHBondContact O-N 2.91Å; F6-L10 VanDerWaalsContact O-N 3.09Å; L10-S13 PolarHBondContact O-N 3.46Å; L10-R14 PolarHBondContact O-N 3.38Å
11K62.5Low63.9Low134 Ų134133.4 Ų133.458%0.58364%0.635SS**Hα-helixtrans-63.9-44.3174.6-84.3-175175.8-178.40112R7 N8 C9 R14 I15R7-K11 PolarHBondContact O-N 2.85Å; R7-K11 VanDerWaalsContact O-N 3.16Å; N8-K11 PolarHBondContact O-N 3.05Å; C9-K11 PolarHBondContact O-N 3.03Å; K11-R14 PolarHBondContact O-N 3.44Å; K11-I15 WeakPolarHBondContact O-CG1 3.35Å; K11-I15 PolarHBondContact O-N 2.84Å
12R60Low65.4Low200 Ų200124.6 Ų124.676%0.75560%0.598SS**Hα-helixtrans-64.7-38.2176.6-84.6-175.6172.4-176.6-1.5112.7N8 C9 R16N8-R12 PolarHBondContact O-N 3.35Å; C9-R12 PolarHBondContact O-N 3.46Å; R12-R16 PolarHBondContact O-N 2.73Å
13S62.9Low66.6Low58 Ų58124.2 Ų124.241%0.40659%0.592SS.*Hα-helixtrans-65-46.7176.7176.70000112.4C9 L10 I15 R16 I17C9-S13 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-N 3.46Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.27Å; S13-R16 PolarHBondContact O-N 2.94Å; S13-R16 VanDerWaalsContact O-N 3.16Å; S13-I17 WeakPolarHBondContact O-CG1 3.34Å; S13-I17 PolarHBondContact O-N 2.8Å
14R66.5Low67.6Low172 Ų172118.1 Ų118.165%0.64958%0.577SS**Hα-helixtrans-59.1-42.5177.2-76.6-175.8178.8-171-0.1112.2L10 K11 R16 I17 F18L10-R14 PolarHBondContact O-N 3.38Å; K11-R14 PolarHBondContact O-N 3.44Å; R14-R16 VanDerWaalsContact C-N 3.32Å; R14-R16 PolarHBondContact O-N 3.46Å; R14-I17 PolarHBondContact O-N 3.49Å; R14-F18 WeakPolarHBondContact O-CD2 3.39Å; R14-F18 PolarHBondContact O-N 2.96Å
15I70.3Confident68.3Low120 Ų120120.6 Ų120.662%0.61558%0.583SS**Hα-helixtrans-61.9-39.8178.5-66.4166000111.2K11 S13 F19K11-I15 WeakPolarHBondContact O-CG1 3.35Å; K11-I15 PolarHBondContact O-N 2.84Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.27Å; I15-F19 PolarHBondContact O-N 3.47Å; I15-F19 VanDerWaalsContact O-N 3.11Å
16R70.5Confident68.9Low193 Ų193119.3 Ų119.373%0.72857%0.573SS**Hα-helixtrans-66.1-41176.4-74.3-176.7175.5-174.5-2112.9R12 S13 R14 F19 L20R12-R16 PolarHBondContact O-N 2.73Å; S13-R16 PolarHBondContact O-N 2.94Å; S13-R16 VanDerWaalsContact O-N 3.16Å; R14-R16 VanDerWaalsContact C-N 3.32Å; R14-R16 PolarHBondContact O-N 3.46Å; R16-F19 PolarHBondContact O-N 2.93Å; R16-L20 PolarHBondContact O-N 3.07Å
17I75.9Confident69.6Low89 Ų89115.7 Ų115.746%0.45656%0.563SS.*Hα-helixtrans-64.9-44.7178.4-66.6168.6000110.7S13 R14 F19 L20 L21S13-I17 WeakPolarHBondContact O-CG1 3.34Å; S13-I17 PolarHBondContact O-N 2.8Å; R14-I17 PolarHBondContact O-N 3.49Å; I17-F19 VanDerWaalsContact C-N 3.31Å; I17-F19 PolarHBondContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 3.32Å; I17-L21 HydrophobicContact CG2-CD1 3.88Å; I17-L21 WeakPolarHBondContact O-CG 3.2Å; I17-L21 PolarHBondContact O-N 3.13Å
18F74Confident69.8Low151 Ų151114.9 Ų114.966%0.66257%0.565SS**Hα-helixtrans-62.4-37.5177.2-90.8-77.8000112.6R14 S22R14-F18 WeakPolarHBondContact O-CD2 3.39Å; R14-F18 PolarHBondContact O-N 2.96Å; F18-S22 PolarHBondContact O-N 3.26Å; F18-S22 PolarHBondContact O-OG 2.91Å
19F75.9Confident70.2Confident145 Ų145116.4 Ų116.464%0.63657%0.566SS**Hα-helixtrans-69.1-39.6176.9-163.4-94.2000112.5I15 R16 I17 S22 V23I15-F19 PolarHBondContact O-N 3.47Å; I15-F19 VanDerWaalsContact O-N 3.11Å; R16-F19 PolarHBondContact O-N 2.93Å; I17-F19 VanDerWaalsContact C-N 3.31Å; I17-F19 PolarHBondContact O-N 3.14Å; F19-S22 PolarHBondContact O-N 2.92Å; F19-S22 PolarHBondContact O-OG 3.26Å; F19-V23 HydrophobicContact CD1-CG2 4.14Å; F19-V23 HydrophobicContact CE1-CG2 3.93Å; F19-V23 HydrophobicContact CZ-CG2 4.46Å; F19-V23 VanDerWaalsContact O-CG2 3.28Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 2.96Å; F19-V23 VanDerWaalsContact O-N 3.09Å
20L74.1Confident70.2Confident122 Ų122117.6 Ų117.664%0.63957%0.566SS**Hα-helixtrans-65.2-41175.3-85.3156.3000112.2R16 I17 T24R16-L20 PolarHBondContact O-N 3.07Å; I17-L20 PolarHBondContact O-N 3.32Å; L20-T24 PolarHBondContact O-N 3.16Å; L20-T24 PolarHBondContact O-OG1 3.36Å
21L78.9Confident70.2Confident100 Ų100118.6 Ų118.652%0.52457%0.571SS.*Hα-helixtrans-66.2-39.8176.5-76.3168.1000112.1I17 T24 F25I17-L21 HydrophobicContact CG2-CD1 3.88Å; I17-L21 WeakPolarHBondContact O-CG 3.2Å; I17-L21 PolarHBondContact O-N 3.13Å; L21-T24 WeakPolarHBondContact CA-OG1 3.44Å; L21-T24 PolarHBondContact O-N 3.3Å; L21-T24 PolarHBondContact O-OG1 3.31Å; L21-T24 VanDerWaalsContact O-OG1 3.1Å; L21-F25 WeakPolarHBondContact O-CB 3.45Å; L21-F25 PolarHBondContact O-N 2.81Å
22S75.7Confident69.8Low63 Ų63115 Ų11544%0.44157%0.567SS.*Hα-helixtrans-68.7-38.5178.268.80000112.3F18 F19 F25 A26F18-S22 PolarHBondContact O-N 3.26Å; F18-S22 PolarHBondContact O-OG 2.91Å; F19-S22 PolarHBondContact O-N 2.92Å; F19-S22 PolarHBondContact O-OG 3.26Å; S22-F25 PolarHBondContact O-N 3.42Å; S22-A26 WeakPolarHBondContact O-CB 3.28Å; S22-A26 PolarHBondContact O-N 2.69Å
23V77.3Confident69.7Low71 Ų71110 Ų11043%0.4356%0.558SS.*Hα-helixtrans-66.2-43.2175.9173.20000111F19 F25 A26 V27F19-V23 HydrophobicContact CD1-CG2 4.14Å; F19-V23 HydrophobicContact CE1-CG2 3.93Å; F19-V23 HydrophobicContact CZ-CG2 4.46Å; F19-V23 VanDerWaalsContact O-CG2 3.28Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 2.96Å; F19-V23 VanDerWaalsContact O-N 3.09Å; V23-F25 PolarHBondContact O-N 3.04Å; V23-A26 PolarHBondContact O-N 3.28Å; V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.39Å; V23-V27 PolarHBondContact O-N 2.99Å
24T77Confident69.1Low83 Ų83110.9 Ų110.951%0.50957%0.565SS.*Hα-helixtrans-63.9-41.1175.928.10000111.9L20 L21 V27 F28L20-T24 PolarHBondContact O-N 3.16Å; L20-T24 PolarHBondContact O-OG1 3.36Å; L21-T24 WeakPolarHBondContact CA-OG1 3.44Å; L21-T24 PolarHBondContact O-N 3.3Å; L21-T24 PolarHBondContact O-OG1 3.31Å; L21-T24 VanDerWaalsContact O-OG1 3.1Å; T24-V27 PolarHBondContact O-N 3.29Å; T24-F28 WeakPolarHBondContact O-CB 3.32Å; T24-F28 PolarHBondContact O-N 3.39Å
25F75.8Confident67.9Low153 Ų153110.1 Ų110.167%0.67157%0.568SS**Hα-helixtrans-63.3-43.8174.5-120.3-87.7000112.1L21 S22 V23 F28 F29L21-F25 WeakPolarHBondContact O-CB 3.45Å; L21-F25 PolarHBondContact O-N 2.81Å; S22-F25 PolarHBondContact O-N 3.42Å; V23-F25 PolarHBondContact O-N 3.04Å; F25-F28 PolarHBondContact O-N 2.84Å; F25-F29 WeakPolarHBondContact O-CB 3.4Å; F25-F29 PolarHBondContact O-N 2.77Å
26A74Confident66.7Low49 Ų49113.6 Ų113.641%0.40557%0.574SS.*Hα-helixtrans-63.8-41.5178.600000112S22 V23 F29 L30S22-A26 WeakPolarHBondContact O-CB 3.28Å; S22-A26 PolarHBondContact O-N 2.69Å; V23-A26 PolarHBondContact O-N 3.28Å; A26-F29 PolarHBondContact O-N 3.27Å; A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 2.92Å
27V72.7Confident65.4Low77 Ų77111.1 Ų111.147%0.46757%0.568SS.*Hα-helixtrans-64-43.8174.6172.40000110.8V23 T24 F29 L30 L31V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.39Å; V23-V27 PolarHBondContact O-N 2.99Å; T24-V27 PolarHBondContact O-N 3.29Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.15Å; V27-L30 PolarHBondContact O-N 3Å; V27-L31 HydrophobicContact CG1-CD1 3.89Å; V27-L31 HydrophobicContact CG1-CG 4.48Å; V27-L31 WeakPolarHBondContact O-CB 3.33Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.05Å
28F68.1Low64.2Low157 Ų157108.6 Ų108.669%0.68956%0.564SS**Hα-helixtrans-62.7-40.9175.8-118.6-86000112.2T24 F25 L31 A32T24-F28 WeakPolarHBondContact O-CB 3.32Å; T24-F28 PolarHBondContact O-N 3.39Å; F25-F28 PolarHBondContact O-N 2.84Å; F28-L31 PolarHBondContact O-N 3.1Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.31Å; F28-A32 PolarHBondContact O-N 3.47Å
29F69.8Low63Low138 Ų138105 Ų10561%0.60555%0.552SS**Hα-helixtrans-70.9-38.9179.8-142.5-86000111.9F25 A26 V27 A32 T33F25-F29 WeakPolarHBondContact O-CB 3.4Å; F25-F29 PolarHBondContact O-N 2.77Å; A26-F29 PolarHBondContact O-N 3.27Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.15Å; F29-A32 PolarHBondContact O-N 3.24Å; F29-T33 HydrophobicContact CD1-CG2 3.87Å; F29-T33 HydrophobicContact CE1-CG2 3.92Å; F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 VanDerWaalsContact O-CG2 3.31Å; F29-T33 WeakPolarHBondContact O-CG2 3.34Å; F29-T33 PolarHBondContact O-N 3.04Å; F29-T33 PolarHBondContact O-OG1 2.84Å
30L59.2Low61.6Low112 Ų112105.1 Ų105.159%0.58655%0.553SS**Hα-helixtrans-64.9-42.6173.4-79164.4000111A26 V27 T33 S34A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 2.92Å; V27-L30 PolarHBondContact O-N 3Å; L30-T33 PolarHBondContact O-N 3.04Å; L30-T33 PolarHBondContact O-OG1 3.19Å; L30-S34 WeakPolarHBondContact O-CB 3.07Å; L30-S34 PolarHBondContact O-N 3.36Å; L30-S34 PolarHBondContact O-OG 3.29Å
31L52.4Low60.8Low104 Ų104104.5 Ų104.555%0.54555%0.55SS..Hα-helixtrans-64.5-40.5174.1-72.9167.9000111.9V27 F28 T33V27-L31 HydrophobicContact CG1-CD1 3.89Å; V27-L31 HydrophobicContact CG1-CG 4.48Å; V27-L31 WeakPolarHBondContact O-CB 3.33Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.05Å; F28-L31 PolarHBondContact O-N 3.1Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.2Å
32A54.9Low59.6Low58 Ų58101.8 Ų101.848%0.47954%0.537SS..Hα-helixtrans-64.6-34177.200000113.2F28 F29F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.31Å; F28-A32 PolarHBondContact O-N 3.47Å; F29-A32 PolarHBondContact O-N 3.24Å
33T58.1Low58.7Low95 Ų95105.9 Ų105.958%0.58354%0.544SS*.Hα-helixtrans-93.7-27.4-176.352.80000113.6F29 L30 L31F29-T33 HydrophobicContact CD1-CG2 3.87Å; F29-T33 HydrophobicContact CE1-CG2 3.92Å; F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 VanDerWaalsContact O-CG2 3.31Å; F29-T33 WeakPolarHBondContact O-CG2 3.34Å; F29-T33 PolarHBondContact O-N 3.04Å; F29-T33 PolarHBondContact O-OG1 2.84Å; L30-T33 PolarHBondContact O-N 3.04Å; L30-T33 PolarHBondContact O-OG1 3.19Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.2Å
34S50.6Low57.8Low77 Ų77108.3 Ų108.354%0.53855%0.546SS..Hα-helixtrans-93.4-11.3-169.262.70000116.9L30L30-S34 WeakPolarHBondContact O-CB 3.07Å; L30-S34 PolarHBondContact O-N 3.36Å; L30-S34 PolarHBondContact O-OG 3.29Å
35H40.1Very low57Low156 Ų156107.4 Ų107.472%0.72254%0.541SS*.SBendtrans-151.7140.8173-110-86.4000115.4F37H35-F37 PolarHBondContact O-N 2.96Å
36R45.1Very low56.1Low193 Ų193102.1 Ų102.173%0.72852%0.523SS*.  trans-42.491.8179.3-61.5176.2-171.1-174.92113.8G38 D39R36-G38 PolarHBondContact O-N 3.5Å; R36-D39 PolarHBondContact O-N 3.43Å
37F43.5Very low55.5Low140 Ų140105 Ų10561%0.61453%0.531SS*.Hα-helixtrans-58.3-15.2171.2-95.6-92.2000114.3H35H35-F37 PolarHBondContact O-N 2.96Å
38G50.5Low54.9Low36 Ų36110.8 Ų110.837%0.37154%0.544SS..Hα-helixtrans-66.9-33.4178.300000114.4R36 V42R36-G38 PolarHBondContact O-N 3.5Å; G38-V42 WeakPolarHBondContact O-CG2 3.33Å
39D49.3Very low54.6Low77 Ų77103.9 Ų103.941%0.41252%0.516SS..Hα-helixtrans-93.2-33-170.8-63.4-25.6000112.2R36 N41 Y43 R65R36-D39 PolarHBondContact O-N 3.43Å; D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 2.97Å; D39-Y43 PolarHBondContact O-N 2.7Å; D39-R65 IonicContact OD1-NH1 3.05Å; D39-R65 PolarHBondContact OD1-NH1 3.46Å
40F47.5Very low54.1Low147 Ų147105.5 Ų105.565%0.64553%0.531SS*.Hα-helixtrans-64.5-38175.4-116.3-90.8000112.5Y44F40-Y44 AromaticContact CD1-CD2 3.9Å; F40-Y44 HydrophobicContact CD1-CD2 3.9Å; F40-Y44 AromaticContact CD1-CE2 3.94Å; F40-Y44 HydrophobicContact CD1-CE2 3.94Å; F40-Y44 HydrophobicContact CE1-CD2 4.32Å; F40-Y44 AromaticContact CE1-CE2 3.92Å; F40-Y44 HydrophobicContact CE1-CE2 3.92Å; F40-Y44 WeakPolarHBondContact O-CB 3.3Å; F40-Y44 PolarHBondContact O-N 2.88Å
41N56.7Low54.5Low108 Ų108101.6 Ų101.658%0.57852%0.518SS*.Hα-helixtrans-70.2-39.1-177.7-159.4-15.9000111.8D39 V45D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 2.97Å; N41-V45 WeakPolarHBondContact O-CB 3.42Å; N41-V45 WeakPolarHBondContact O-CG2 3.37Å; N41-V45 PolarHBondContact O-N 3.32Å
42V54.2Low55.6Low44 Ų44101.7 Ų101.727%0.26753%0.527SS..Hα-helixtrans-68.8-41.1178.6-179.10000111.4G38 S46 V58G38-V42 WeakPolarHBondContact O-CG2 3.33Å; V42-S46 WeakPolarHBondContact O-CB 3.44Å; V42-S46 PolarHBondContact O-N 3.1Å; V42-V58 HydrophobicContact CG1-CG1 3.75Å
43Y56.5Low56.4Low148 Ų148106.9 Ų106.958%0.5854%0.536SS*.Hα-helixtrans-64.5-47176-176.9-106.3000112D39 V45 S46 L47D39-Y43 PolarHBondContact O-N 2.7Å; Y43-V45 PolarHBondContact O-N 3.5Å; Y43-S46 PolarHBondContact O-N 3.04Å; Y43-S46 PolarHBondContact O-OG 3.04Å; Y43-L47 HydrophobicContact CD1-CD1 3.75Å; Y43-L47 HydrophobicContact CE1-CD1 3.28Å; Y43-L47 HydrophobicContact CE1-CG 4.35Å; Y43-L47 HydrophobicContact CE2-CD1 4.39Å; Y43-L47 HydrophobicContact CG-CD1 4.48Å; Y43-L47 PolarHBondContact O-N 3.33Å; Y43-L47 VanDerWaalsContact O-N 3.1Å
44Y57.2Low57.1Low122 Ų122106.1 Ų106.148%0.47853%0.528SS..Hα-helixtrans-63.5-40.8178.6-106.4-87.8000113.4F40 S46 L47 R48F40-Y44 AromaticContact CD1-CD2 3.9Å; F40-Y44 HydrophobicContact CD1-CD2 3.9Å; F40-Y44 AromaticContact CD1-CE2 3.94Å; F40-Y44 HydrophobicContact CD1-CE2 3.94Å; F40-Y44 HydrophobicContact CE1-CD2 4.32Å; F40-Y44 AromaticContact CE1-CE2 3.92Å; F40-Y44 HydrophobicContact CE1-CE2 3.92Å; F40-Y44 WeakPolarHBondContact O-CB 3.3Å; F40-Y44 PolarHBondContact O-N 2.88Å; Y44-S46 VanDerWaalsContact C-N 3.32Å; Y44-L47 PolarHBondContact O-N 3.09Å; Y44-R48 PolarHBondContact O-N 3.42Å; Y44-R48 VanDerWaalsContact O-N 3.13Å
45V60.2Low58.3Low64 Ų64107.7 Ų107.739%0.38853%0.525SS..Hα-helixtrans-65.9-37.5175.8174.10000110.5N41 Y43 L47 R48 A49 V58N41-V45 WeakPolarHBondContact O-CB 3.42Å; N41-V45 WeakPolarHBondContact O-CG2 3.37Å; N41-V45 PolarHBondContact O-N 3.32Å; Y43-V45 PolarHBondContact O-N 3.5Å; V45-L47 VanDerWaalsContact C-N 3.32Å; V45-L47 PolarHBondContact O-N 2.99Å; V45-R48 PolarHBondContact O-N 3.45Å; V45-A49 WeakPolarHBondContact O-CB 3.44Å; V45-A49 PolarHBondContact O-N 3.38Å; V45-V58 HydrophobicContact CG1-CG2 3.86Å
46S58.2Low59.9Low43 Ų43102.3 Ų102.330%0.30151%0.508SS..Hα-helixtrans-63.7-34.5175.982.50000113.7V42 Y43 Y44V42-S46 WeakPolarHBondContact O-CB 3.44Å; V42-S46 PolarHBondContact O-N 3.1Å; Y43-S46 PolarHBondContact O-N 3.04Å; Y43-S46 PolarHBondContact O-OG 3.04Å; Y44-S46 VanDerWaalsContact C-N 3.32Å
47L59.9Low61.4Low108 Ų10895.4 Ų95.457%0.56549%0.485SS*.Hα-helixtrans-74.2-32.5177.3-81.6165.5000112.8Y43 Y44 V45Y43-L47 HydrophobicContact CD1-CD1 3.75Å; Y43-L47 HydrophobicContact CE1-CD1 3.28Å; Y43-L47 HydrophobicContact CE1-CG 4.35Å; Y43-L47 HydrophobicContact CE2-CD1 4.39Å; Y43-L47 HydrophobicContact CG-CD1 4.48Å; Y43-L47 PolarHBondContact O-N 3.33Å; Y43-L47 VanDerWaalsContact O-N 3.1Å; Y44-L47 PolarHBondContact O-N 3.09Å; V45-L47 VanDerWaalsContact C-N 3.32Å; V45-L47 PolarHBondContact O-N 2.99Å
48R61.3Low62.9Low200 Ų20089.6 Ų89.676%0.75546%0.46SS*.Hα-helixtrans-95.5-10-178.9-72.3-169177.6-174.10.3114.8Y44 V45 N50Y44-R48 PolarHBondContact O-N 3.42Å; Y44-R48 VanDerWaalsContact O-N 3.13Å; V45-R48 PolarHBondContact O-N 3.45Å; R48-N50 PolarHBondContact O-N 3Å; R48-N50 VanDerWaalsContact O-N 3.14Å
49A60.6Low64.2Low11 Ų1196.2 Ų96.29%0.09147%0.474CS..  trans-71103.4179.600000111.4V45 G51 D54 K55V45-A49 WeakPolarHBondContact O-CB 3.44Å; V45-A49 PolarHBondContact O-N 3.38Å; A49-G51 VanDerWaalsContact C-N 3.31Å; A49-G51 PolarHBondContact O-N 3.11Å; A49-D54 HydrophobicContact CB-CB 3.59Å; A49-K55 HydrophobicContact CB-CG 4.26Å; A49-K55 WeakPolarHBondContact O-CE 3.35Å
50N61.2Low65.5Low172 Ų17298 Ų9892%0.9248%0.483SS*.  trans-77-11.6178-80.6-11.4000113.9R48R48-N50 PolarHBondContact O-N 3Å; R48-N50 VanDerWaalsContact O-N 3.14Å
51G65.8Low66.9Low30 Ų3098.9 Ų98.931%0.30948%0.482SS..SBendtrans-108.3149.1-177.700000114.8A49 Y53 D54 K55A49-G51 VanDerWaalsContact C-N 3.31Å; A49-G51 PolarHBondContact O-N 3.11Å; G51-Y53 VanDerWaalsContact C-N 3.25Å; G51-Y53 PolarHBondContact O-N 3.41Å; G51-D54 PolarHBondContact O-N 3.1Å; G51-K55 PolarHBondContact O-N 2.61Å
52S76.6Confident67.9Low107 Ų107100.8 Ų100.875%0.74848%0.482SS*.Hα-helixtrans-62.4-33174.974.60000112.4K55 A56S52-K55 PolarHBondContact O-N 2.79Å; S52-A56 WeakPolarHBondContact O-CB 3.07Å; S52-A56 PolarHBondContact O-N 2.91Å
53Y71.2Confident69.1Low167 Ų167103.8 Ų103.866%0.65549%0.492SS*.Hα-helixtrans-65.2-45.6178.3-177-101.8000112.6G51 K55 A56 I57G51-Y53 VanDerWaalsContact C-N 3.25Å; G51-Y53 PolarHBondContact O-N 3.41Å; Y53-K55 PolarHBondContact O-N 3.23Å; Y53-A56 WeakPolarHBondContact O-CA 3.4Å; Y53-A56 WeakPolarHBondContact O-CB 3.45Å; Y53-A56 PolarHBondContact O-N 2.03Å; Y53-A56 VanDerWaalsContact O-N 3.09Å; Y53-I57 HydrophobicContact CD1-CD1 3.94Å; Y53-I57 HydrophobicContact CD1-CG1 4.46Å; Y53-I57 HydrophobicContact CE1-CD1 3.26Å; Y53-I57 HydrophobicContact CE1-CG1 4.1Å; Y53-I57 HydrophobicContact CE2-CD1 4.44Å; Y53-I57 PolarHBondContact O-N 3.44Å
54D73.7Confident69.9Low78 Ų78106.2 Ų106.242%0.41750%0.5SS..Hα-helixtrans-64.3-41.3177.7-69.7-35.6000111.4A49 G51 A56 I57 V58A49-D54 HydrophobicContact CB-CB 3.59Å; G51-D54 PolarHBondContact O-N 3.1Å; D54-A56 VanDerWaalsContact C-N 3.3Å; D54-A56 PolarHBondContact O-N 3.4Å; D54-I57 PolarHBondContact O-N 2.91Å; D54-V58 WeakPolarHBondContact O-CB 3.44Å; D54-V58 VanDerWaalsContact O-CG2 3.27Å; D54-V58 WeakPolarHBondContact O-CG2 3.23Å; D54-V58 PolarHBondContact O-N 2.96Å
55K74.2Confident70.7Confident111 Ų111108.4 Ų108.448%0.48351%0.508SS..Hα-helixtrans-60.8-38.8171.9-71.8-178.6-178.2175.50111.7A49 G51 S52 Y53 R59A49-K55 HydrophobicContact CB-CG 4.26Å; A49-K55 WeakPolarHBondContact O-CE 3.35Å; G51-K55 PolarHBondContact O-N 2.61Å; S52-K55 PolarHBondContact O-N 2.79Å; Y53-K55 PolarHBondContact O-N 3.23Å; K55-R59 WeakPolarHBondContact O-CB 3.47Å; K55-R59 WeakPolarHBondContact O-CG 3.34Å; K55-R59 PolarHBondContact O-N 3.36Å
56A74.7Confident71.7Confident43 Ų43111 Ų11136%0.35552%0.519SS..Hα-helixtrans-67.4-43176.900000112.4S52 Y53 D54 R59 L60S52-A56 WeakPolarHBondContact O-CB 3.07Å; S52-A56 PolarHBondContact O-N 2.91Å; Y53-A56 WeakPolarHBondContact O-CA 3.4Å; Y53-A56 WeakPolarHBondContact O-CB 3.45Å; Y53-A56 PolarHBondContact O-N 2.03Å; Y53-A56 VanDerWaalsContact O-N 3.09Å; D54-A56 VanDerWaalsContact C-N 3.3Å; D54-A56 PolarHBondContact O-N 3.4Å; A56-R59 PolarHBondContact O-N 2.02Å; A56-L60 WeakPolarHBondContact O-CB 3.21Å; A56-L60 WeakPolarHBondContact O-CG 3.33Å; A56-L60 PolarHBondContact O-N 3.14Å
57I76.3Confident72.5Confident48 Ų48114.3 Ų114.325%0.24653%0.532CS..Hα-helixtrans-62.3-44.4174.1-73.3-175.3000110.9Y53 D54 L60 R61Y53-I57 HydrophobicContact CD1-CD1 3.94Å; Y53-I57 HydrophobicContact CD1-CG1 4.46Å; Y53-I57 HydrophobicContact CE1-CD1 3.26Å; Y53-I57 HydrophobicContact CE1-CG1 4.1Å; Y53-I57 HydrophobicContact CE2-CD1 4.44Å; Y53-I57 PolarHBondContact O-N 3.44Å; D54-I57 PolarHBondContact O-N 2.91Å; I57-L60 PolarHBondContact O-N 3.28Å; I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 2.84Å
58V75.1Confident73.3Confident17 Ų17114.1 Ų114.110%0.10354%0.537CS..Hα-helixtrans-60.9-46177.5167.10000110.6V42 V45 D54 R61 Y62V42-V58 HydrophobicContact CG1-CG1 3.75Å; V45-V58 HydrophobicContact CG1-CG2 3.86Å; D54-V58 WeakPolarHBondContact O-CB 3.44Å; D54-V58 VanDerWaalsContact O-CG2 3.27Å; D54-V58 WeakPolarHBondContact O-CG2 3.23Å; D54-V58 PolarHBondContact O-N 2.96Å; V58-R61 PolarHBondContact O-N 2.86Å; V58-Y62 PolarHBondContact O-N 3.17Å
59R78.7Confident73.8Confident175 Ų175113.8 Ų113.866%0.6655%0.545SS*.Hα-helixtrans-59.4-47.3173.1-79.1178.9178.4-178.5-0.2111.7K55 A56 R61 Y62 F63K55-R59 WeakPolarHBondContact O-CB 3.47Å; K55-R59 WeakPolarHBondContact O-CG 3.34Å; K55-R59 PolarHBondContact O-N 3.36Å; A56-R59 PolarHBondContact O-N 2.02Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.17Å; R59-Y62 WeakPolarHBondContact O-CB 3.32Å; R59-Y62 PolarHBondContact O-N 3.04Å; R59-Y62 VanDerWaalsContact O-N 3.15Å; R59-F63 HydrophobicContact CB-CD2 4.22Å; R59-F63 HydrophobicContact CB-CE2 4.18Å; R59-F63 WeakPolarHBondContact O-CD2 3.46Å; R59-F63 PolarHBondContact O-N 3.46Å
60L75.3Confident74.2Confident115 Ų115118.6 Ų118.660%0.60257%0.573SS**Hα-helixtrans-59.7-40.2177-81.6165.6000112A56 I57 F63 R64A56-L60 WeakPolarHBondContact O-CB 3.21Å; A56-L60 WeakPolarHBondContact O-CG 3.33Å; A56-L60 PolarHBondContact O-N 3.14Å; I57-L60 PolarHBondContact O-N 3.28Å; L60-F63 PolarHBondContact O-N 2.86Å; L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 PolarHBondContact O-N 3.3Å
61R77.2Confident74.3Confident165 Ų165119.4 Ų119.462%0.62357%0.568SS**Hα-helixtrans-65.4-38.8175.1-75-177.8-172.8174.74.1112.2I57 V58 R59I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 2.84Å; V58-R61 PolarHBondContact O-N 2.86Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.17Å
62Y78.9Confident74.1Confident149 Ų149123.9 Ų123.958%0.58459%0.589SS**Hα-helixtrans-64.9-50.4174.1-175.9-95.8000111.1V58 R59 R64 R65 L66V58-Y62 PolarHBondContact O-N 3.17Å; R59-Y62 WeakPolarHBondContact O-CB 3.32Å; R59-Y62 PolarHBondContact O-N 3.04Å; R59-Y62 VanDerWaalsContact O-N 3.15Å; Y62-R64 VanDerWaalsContact C-N 3.33Å; Y62-R64 PolarHBondContact O-N 3.49Å; Y62-R65 PolarHBondContact O-N 2.99Å; Y62-L66 HydrophobicContact CD1-CD1 4.49Å; Y62-L66 HydrophobicContact CE1-CD1 4.14Å
63F78.7Confident73.2Confident107 Ų107124.7 Ų124.747%0.46959%0.589SS.*Hα-helixtrans-65.8-30.5177.7-74.3-63000113.3R59 L60 R65 L66 L67R59-F63 HydrophobicContact CB-CD2 4.22Å; R59-F63 HydrophobicContact CB-CE2 4.18Å; R59-F63 WeakPolarHBondContact O-CD2 3.46Å; R59-F63 PolarHBondContact O-N 3.46Å; L60-F63 PolarHBondContact O-N 2.86Å; F63-R65 PolarHBondContact O-N 3.04Å; F63-R65 VanDerWaalsContact O-N 3.11Å; F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 HydrophobicContact CE1-CD1 4.42Å; F63-L66 CarbonylContact O-C 3.42Å; F63-L66 WeakPolarHBondContact O-CA 3.48Å; F63-L66 WeakPolarHBondContact O-CB 3.47Å; F63-L66 PolarHBondContact O-N 2.92Å; F63-L67 WeakPolarHBondContact O-CG 3.03Å; F63-L67 PolarHBondContact O-N 2.83Å
64R72.8Confident72.5Confident199 Ų199127.1 Ų127.175%0.75160%0.597SS**Hα-helixtrans-57.1-28.5177.2-172.9177.6-178-174.21.3112.6L60 Y62 L66L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 PolarHBondContact O-N 3.3Å; Y62-R64 VanDerWaalsContact C-N 3.33Å; Y62-R64 PolarHBondContact O-N 3.49Å; R64-L66 VanDerWaalsContact C-N 3.33Å
65R73.3Confident72.1Confident168 Ų168131.3 Ų131.363%0.63461%0.607SS**THydrogen-bonded Turntrans-75.2-21.6173.3-63.8-176.8179.2172.32.5113.2D39 Y62 F63D39-R65 IonicContact OD1-NH1 3.05Å; D39-R65 PolarHBondContact OD1-NH1 3.46Å; Y62-R65 PolarHBondContact O-N 2.99Å; F63-R65 PolarHBondContact O-N 3.04Å; F63-R65 VanDerWaalsContact O-N 3.11Å
66L81.6Confident71.8Confident118 Ų118133.1 Ų133.162%0.61862%0.617SS**THydrogen-bonded Turntrans-94.3-17.9177.3-61.7172.4000112.6Y62 F63 R64Y62-L66 HydrophobicContact CD1-CD1 4.49Å; Y62-L66 HydrophobicContact CE1-CD1 4.14Å; F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 HydrophobicContact CE1-CD1 4.42Å; F63-L66 CarbonylContact O-C 3.42Å; F63-L66 WeakPolarHBondContact O-CA 3.48Å; F63-L66 WeakPolarHBondContact O-CB 3.47Å; F63-L66 PolarHBondContact O-N 2.92Å; R64-L66 VanDerWaalsContact C-N 3.33Å
67L76.4Confident71.9Confident113 Ų113133.3 Ų133.359%0.59261%0.609SS**SBendtrans-75.1135.3175.8-68.9174.6000109.6F63F63-L67 WeakPolarHBondContact O-CG 3.03Å; F63-L67 PolarHBondContact O-N 2.83Å
68P75.9Confident71.9Confident103 Ų103133 Ų13367%0.66962%0.618SS**  trans-59.6147.6175.625.3-32.9000110.3V70P68-V70 PolarHBondContact O-N 3.08Å
69E71.6Confident71.8Confident194 Ų194136.7 Ų136.791%0.90764%0.636SS**  trans-66.5104.5174.2-165.9175.1-163.100109.1K71E69-K71 PolarHBondContact O-N 3.22Å
70V69.5Low71.5Confident112 Ų112134.2 Ų134.268%0.67963%0.632SS**  trans-83.6113.1174.6-174.70000107.7P68 V72P68-V70 PolarHBondContact O-N 3.08Å; V70-V72 PolarHBondContact O-N 3.49Å
71K63.6Low71Confident188 Ų188134.3 Ų134.382%0.81762%0.624SS**  trans-64.899.5164.9-78.4-173.2179.7178.50108.4E69 V73E69-K71 PolarHBondContact O-N 3.22Å; K71-V73 PolarHBondContact O-N 2.94Å
72V61.6Low70Confident125 Ų125132.2 Ų132.276%0.75864%0.635SS**  trans-68.1102.3168.1-176.70000106.9V70 R74V70-V72 PolarHBondContact O-N 3.49Å; V72-R74 PolarHBondContact O-N 3.36Å
73V57.3Low68.8Low123 Ų123129.4 Ų129.475%0.74563%0.626SS**  trans-62.2111.5171.9-177.50000107.1K71 R75K71-V73 PolarHBondContact O-N 2.94Å; V73-R75 PolarHBondContact O-N 3.09Å
74R55.9Low67.4Low218 Ų218133.6 Ų133.682%0.82364%0.644SS**PPolyproline II helixtrans-64.5117.9169.9-79.4-172.7178.5-172.70.5107.5V72 Q76V72-R74 PolarHBondContact O-N 3.36Å; R74-Q76 PolarHBondContact O-N 2.94Å
75R65.3Low66.8Low167 Ų167127.6 Ų127.663%0.6362%0.624SS**PPolyproline II helixtrans-61.5128.7171.1-65.1-170.8-176.7172.13108.3V73 Y77 E275V73-R75 PolarHBondContact O-N 3.09Å; R75-Y77 HydrophobicContact CB-CE2 4.3Å; R75-E275 WeakPolarHBondContact CD-OE1 3.03Å; R75-E275 IonicContact CZ-OE1 2.61Å; R75-E275 IonicContact NE-OE1 3.37Å; R75-E275 IonicContact NH1-OE1 3.2Å; R75-E275 PolarHBondContact NH1-OE1 3.42Å
76Q67.7Low66.6Low149 Ų149126.5 Ų126.570%0.69662%0.624SS**PPolyproline II helixtrans-83.4124.8172.3-74.2179.8-27.400108.6R74 I79R74-Q76 PolarHBondContact O-N 2.94Å; Q76-I79 HydrophobicContact CB-CD1 3.83Å; Q76-I79 VanDerWaalsContact OE1-CD1 3.27Å
77Y77.3Confident66Low46 Ų46123.7 Ų123.718%0.1862%0.618CS.*SBendtrans-92.2154.9176.6-79-109000110.4R75 E274 E275 E279 R281R75-Y77 HydrophobicContact CB-CE2 4.3Å; Y77-E274 VanDerWaalsContact CD1-O 3.26Å; Y77-E274 WeakPolarHBondContact CD1-O 3.34Å; Y77-E274 HydrophobicContact CE1-CG 4.02Å; Y77-E274 PolarHBondContact OH-OE1 2.92Å; Y77-E275 CarbonylContact C-O 2.99Å; Y77-E275 VanDerWaalsContact CA-O 3.27Å; Y77-E275 WeakPolarHBondContact CA-O 3.46Å; Y77-E275 HydrophobicContact CE1-CG 4.35Å; Y77-E279 WeakPolarHBondContact CD2-OE2 3.27Å; Y77-R281 VanDerWaalsContact CE2-CZ 3.43Å; Y77-R281 VanDerWaalsContact CE2-NH2 3.25Å; Y77-R281 PolarHBondContact OH-NE 2.8Å; Y77-R281 PolarHBondContact OH-NH1 3.36Å
78G76.6Confident66Low43 Ų43123.5 Ų123.544%0.44362%0.621SS.*SBendtrans80.811.7176.900000115E275 L277G78-E275 PolarHBondContact N-O 3.11Å; G78-L277 WeakPolarHBondContact CA-O 3.06Å; G78-L277 PolarHBondContact N-O 2.63Å
79I73.8Confident66.2Low93 Ų93119.5 Ų119.548%0.47760%0.599SS.*  trans-106.1118.3174.5-56.9177.2000108.3Q76 R81Q76-I79 HydrophobicContact CB-CD1 3.83Å; Q76-I79 VanDerWaalsContact OE1-CD1 3.27Å; I79-R81 PolarHBondContact O-N 2.61Å
80E71.3Confident67.1Low124 Ų124116.5 Ų116.558%0.57959%0.594SS**  trans-65.4124.8172.7-175.4152.5-144.200110.1S82 K272E80-S82 PolarHBondContact O-N 3.32Å; E80-S82 VanDerWaalsContact O-N 3.11Å; E80-K272 IonicContact OE1-NZ 3.62Å; E80-K272 PolarHBondContact OE1-NZ 2.94Å; E80-K272 IonicContact OE2-NZ 3.38Å; E80-K272 PolarHBondContact OE2-NZ 3.14Å
81R65.6Low68.1Low116 Ų116112.1 Ų112.144%0.43857%0.571SS.*  trans-73.3109.5-179-70.4-174.1176.2-164.6-0.3109.6I79 F83 E275 E276I79-R81 PolarHBondContact O-N 2.61Å; R81-F83 VanDerWaalsContact C-N 3.33Å; R81-F83 HydrophobicContact CB-CD2 3.81Å; R81-F83 HydrophobicContact CB-CE2 3.44Å; R81-F83 VanDerWaalsContact CB-CE2 3.44Å; R81-F83 HydrophobicContact CB-CZ 4.1Å; R81-F83 VanDerWaalsContact CD-CZ 3.49Å; R81-F83 HydrophobicContact CG-CE2 4.19Å; R81-F83 HydrophobicContact CG-CZ 4.46Å; R81-F83 PolarHBondContact O-N 3.11Å; R81-E275 IonicContact CZ-OE2 3.1Å; R81-E275 IonicContact NE-OE2 4Å; R81-E275 IonicContact NH2-OE2 3.52Å; R81-E275 PolarHBondContact NH2-OE2 3.28Å; R81-E276 HydrophobicContact CG-CG 4.38Å; R81-E276 PolarHBondContact N-OE1 2.9Å
82S54.5Low69.6Low122 Ų122104.5 Ų104.585%0.85354%0.541SS*.  trans-76.287163.374.40000109.2E80 K84E80-S82 PolarHBondContact O-N 3.32Å; E80-S82 VanDerWaalsContact O-N 3.11Å; S82-K84 PolarHBondContact O-N 2.92Å
83F53.9Low71Confident89 Ų89103.8 Ų103.839%0.3954%0.537SS..  trans-68.6128.4163.3-65.9-85.1000107.2R81 K85R81-F83 VanDerWaalsContact C-N 3.33Å; R81-F83 HydrophobicContact CB-CD2 3.81Å; R81-F83 HydrophobicContact CB-CE2 3.44Å; R81-F83 VanDerWaalsContact CB-CE2 3.44Å; R81-F83 HydrophobicContact CB-CZ 4.1Å; R81-F83 VanDerWaalsContact CD-CZ 3.49Å; R81-F83 HydrophobicContact CG-CE2 4.19Å; R81-F83 HydrophobicContact CG-CZ 4.46Å; R81-F83 PolarHBondContact O-N 3.11Å; F83-K85 HydrophobicContact CB-CG 3.86Å; F83-K85 WeakPolarHBondContact O-CG 3.02Å; F83-K85 PolarHBondContact O-N 3.36Å
84K50.6Low72.5Confident195 Ų195102.5 Ų102.585%0.84852%0.519SS*.  trans-62.591.2159.4-90.1-173.8176.8179.60106.1S82 F86S82-K84 PolarHBondContact O-N 2.92Å; K84-F86 PolarHBondContact O-N 3.37Å
85K60.4Low74Confident73 Ų7392.4 Ų92.432%0.31748%0.482SS..  trans-80.6111.5-175.9-68.8169.9-174.7168.40108.4F83 R501F83-K85 HydrophobicContact CB-CG 3.86Å; F83-K85 WeakPolarHBondContact O-CG 3.02Å; F83-K85 PolarHBondContact O-N 3.36Å; K85-R501 HydrophobicContact CB-CB 4.47Å; K85-R501 VanDerWaalsContact CD-C 3.49Å; K85-R501 WeakPolarHBondContact CD-O 3.28Å; K85-R501 WeakPolarHBondContact CE-O 3.4Å; K85-R501 PolarHBondContact NZ-O 3.08Å
86F67.6Low75.1Confident145 Ų14591 Ų9164%0.63649%0.491SS*.  trans-63.2138.3173.7-62.9-83.5000109.4K84 T88 N519K84-F86 PolarHBondContact O-N 3.37Å; F86-T88 WeakPolarHBondContact CB-O 3.41Å; F86-T88 PolarHBondContact O-N 3.32Å; F86-N519 PolarHBondContact O-ND2 3.43Å
87A69.9Low76.4Confident60 Ų6085.3 Ų85.350%0.49647%0.465SS..SBendtrans-73.2-10.517600000112.4
88T75.6Confident77.2Confident109 Ų10987.2 Ų87.267%0.66948%0.478SS*.  trans-118.4139177.853.50000108.9F86F86-T88 WeakPolarHBondContact CB-O 3.41Å; F86-T88 PolarHBondContact O-N 3.32Å
89G81.4Confident78.1Confident19 Ų1988 Ų8820%0.19647%0.471CS..  trans-124174.1169.600000110.8S514 D516 N519G89-S514 CarbonylContact C-O 3.48Å; G89-S514 WeakPolarHBondContact CA-O 3.02Å; G89-D516 WeakPolarHBondContact CA-OD2 3.46Å; G89-N519 VanDerWaalsContact CA-OD1 3.3Å; G89-N519 WeakPolarHBondContact CA-OD1 3.34Å
90T89Confident79.1Confident131 Ų13188.6 Ų88.680%0.80448%0.475SS*.  trans-96-1.1-176.752.20000113.9S514 D516T90-S514 PolarHBondContact N-O 3.02Å; T90-D516 PolarHBondContact N-OD2 3.13Å; T90-D516 PolarHBondContact OG1-OD2 3.41Å; T90-D516 VanDerWaalsContact OG1-OD2 3.07Å
91G92.2Very high80.3Confident19 Ų1984.1 Ų84.120%0.19646%0.455CS..  trans80.8178.2-172.300000113.4E513 S514 R515 D516G91-E513 WeakPolarHBondContact CA-O 3.49Å; G91-S514 PolarHBondContact N-O 3.33Å; G91-R515 CarbonylContact C-O 3.6Å; G91-D516 WeakPolarHBondContact O-CB 3.05Å
92C93.7Very high81.7Confident28 Ų2883.7 Ų83.719%0.18947%0.47CS..  trans-133.1121.6178177.30000109.1M253 L476 C529C92-M253 HydrophobicContact CB-CE 3.96Å; C92-M253 WeakPolarHBondContact O-CE 3.46Å; C92-M253 VanDerWaalsContact SG-CE 3.55Å; C92-L476 HydrophobicContact CB-CB 3.98Å; C92-L476 HydrophobicContact CB-CD2 4.09Å; C92-C529 HydrophobicContact CB-CB 3.85Å; C92-C529 WeakPolarHBondContact CB-SG 3.35Å; C92-C529 WeakPolarHBondContact SG-CB 3.35Å; C92-C529 CovalentContact SG-SG 2.03Å; C92-C529 PolarHBondContact SG-SG 3.49Å
93V91Very high83.6Confident110 Ų11083.3 Ų83.367%0.66746%0.455SS*.PPolyproline II helixtrans-77128.9171.4-177.80000108.2C529V93-C529 WeakPolarHBondContact O-CA 3.03Å
94R90Very high85.5Confident96 Ų9679 Ų7936%0.36244%0.436SS..PPolyproline II helixtrans-62.1127.7177.5177.7176.7176.5162.73.9110.3V96 E252 M253 N474R94-V96 PolarHBondContact O-N 3Å; R94-E252 IonicContact CZ-OE2 3.43Å; R94-E252 IonicContact NH1-OE2 2.63Å; R94-E252 PolarHBondContact NH1-OE2 3.02Å; R94-E252 IonicContact NH2-OE1 2.7Å; R94-E252 IonicContact NH2-OE2 3.77Å; R94-E252 PolarHBondContact NH2-OE2 2.85Å; R94-M253 HydrophobicContact CB-CE 4.13Å; R94-M253 HydrophobicContact CB-CG 4.18Å; R94-M253 HydrophobicContact CB-SD 3.91Å; R94-M253 HydrophobicContact CG-CG 3.95Å; R94-M253 HydrophobicContact CG-SD 4.28Å; R94-N474 PolarHBondContact NH1-OD1 3.41Å
95P87Confident87.7Confident7 Ų772.6 Ų72.65%0.04541%0.41CS..PPolyproline II helixtrans-63.2131.7173.726.8-34.6000110.3S531P95-S531 WeakPolarHBondContact CB-OG 3.29Å
96V89.1Confident89.3Confident136 Ų13674.1 Ų74.182%0.82443%0.427SS*.PPolyproline II helixtrans-83.9120.4173.3-178.40000108.6R94R94-V96 PolarHBondContact O-N 3Å
97Q93.3Very high90.6Very high31 Ų3169.7 Ų69.715%0.14541%0.41CS..  trans-127.3135176.8-62.4176-52.600108.8M229Q97-M229 HydrophobicContact CB-CE 4.32Å; Q97-M229 HydrophobicContact CB-CG 3.85Å; Q97-M229 HydrophobicContact CB-SD 3.92Å
98N94.4Very high91.8Very high85 Ų8568 Ų6846%0.45539%0.391SS..  trans-100.3120.4179.4-179.60.6000110.2N100 D101 R233 Q440N98-N100 PolarHBondContact O-N 3.28Å; N98-N100 VanDerWaalsContact O-N 3.11Å; N98-N100 PolarHBondContact OD1-N 3.06Å; N98-D101 HydrophobicContact CB-CB 4.19Å; N98-D101 PolarHBondContact O-N 3.16Å; N98-D101 VanDerWaalsContact O-N 3.16Å; N98-R233 PolarHBondContact O-NH2 3.12Å; N98-Q440 PolarHBondContact O-NE2 2.89Å
99I95.4Very high92.8Very high61 Ų6167.7 Ų67.731%0.31338%0.382SS..THydrogen-bonded Turntrans-55.7-32.6177.6-165.7168000112M229 M232 R233I99-M229 HydrophobicContact CB-SD 4.26Å; I99-M232 HydrophobicContact CD1-CB 4.04Å; I99-M232 HydrophobicContact CD1-CE 4.25Å; I99-R233 HydrophobicContact CG1-CG 4.05Å; I99-R233 PolarHBondContact O-NE 3Å; I99-R233 PolarHBondContact O-NH2 3.27Å
100N95.4Very high93.5Very high105 Ų10571.6 Ų71.656%0.56141%0.406SS*.THydrogen-bonded Turntrans-111.843.2179.2-63.1-35.2000112.3N98 S102N98-N100 PolarHBondContact O-N 3.28Å; N98-N100 VanDerWaalsContact O-N 3.11Å; N98-N100 PolarHBondContact OD1-N 3.06Å; N100-S102 PolarHBondContact O-N 3.41Å
101D95.6Very high93.7Very high30 Ų3066.9 Ų66.916%0.1638%0.377CS..  trans-58.8122.5176.8175.1-86.9000112.1N98 E103 I104 M105N98-D101 HydrophobicContact CB-CB 4.19Å; N98-D101 PolarHBondContact O-N 3.16Å; N98-D101 VanDerWaalsContact O-N 3.16Å; D101-E103 PolarHBondContact O-N 3.36Å; D101-E103 WeakPolarHBondContact OD1-CB 3.44Å; D101-E103 PolarHBondContact OD1-N 2.98Å; D101-I104 HydrophobicContact CB-CD1 4.15Å; D101-I104 HydrophobicContact CB-CG1 3.88Å; D101-I104 PolarHBondContact O-N 3.46Å; D101-I104 PolarHBondContact OD1-N 3.27Å; D101-I104 VanDerWaalsContact OD1-N 3.1Å; D101-M105 VanDerWaalsContact O-CB 3.29Å; D101-M105 WeakPolarHBondContact O-CB 2.8Å; D101-M105 WeakPolarHBondContact O-CG 3.45Å; D101-M105 PolarHBondContact O-N 3.18Å
102S95Very high93.7Very high106 Ų10669.8 Ų69.874%0.74140%0.399SS*.THydrogen-bonded Turntrans-66.2-22.2-171.554.30000114.2N100 P106N100-S102 PolarHBondContact O-N 3.41Å; S102-P106 WeakPolarHBondContact O-CD 3.41Å
103E94.9Very high93.6Very high114 Ų11473.8 Ų73.853%0.53343%0.425SS..THydrogen-bonded Turntrans-77.9-39.1-179.8-168.1-176173.600111.1D101 A438D101-E103 PolarHBondContact O-N 3.36Å; D101-E103 WeakPolarHBondContact OD1-CB 3.44Å; D101-E103 PolarHBondContact OD1-N 2.98Å; E103-A438 HydrophobicContact CB-CB 4.41Å; E103-A438 HydrophobicContact CG-CB 3.89Å; E103-A438 WeakPolarHBondContact OE1-CA 3.37Å; E103-A438 WeakPolarHBondContact OE1-CB 3.26Å; E103-A438 WeakPolarHBondContact OE2-CB 3.38Å
104I94.5Very high93.5Very high0 Ų071.1 Ų71.10%041%0.407CS..THydrogen-bonded Turntrans-97.7-26.8-175.869.6178.2000114.2D101 P106 L107 F108 L435 A438 Q440 E444D101-I104 HydrophobicContact CB-CD1 4.15Å; D101-I104 HydrophobicContact CB-CG1 3.88Å; D101-I104 PolarHBondContact O-N 3.46Å; D101-I104 PolarHBondContact OD1-N 3.27Å; D101-I104 VanDerWaalsContact OD1-N 3.1Å; I104-P106 VanDerWaalsContact C-N 3.31Å; I104-L107 VanDerWaalsContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CB 3.38Å; I104-L107 PolarHBondContact O-N 3.27Å; I104-F108 HydrophobicContact CB-CE2 4.32Å; I104-F108 HydrophobicContact CD1-CE2 4.06Å; I104-F108 HydrophobicContact CG1-CE2 4.02Å; I104-F108 WeakPolarHBondContact O-CD2 3.34Å; I104-L435 HydrophobicContact CB-CD2 3.77Å; I104-L435 HydrophobicContact CG2-CD2 4.21Å; I104-A438 HydrophobicContact CG2-CB 3.42Å; I104-A438 VanDerWaalsContact CG2-CB 3.42Å; I104-Q440 HydrophobicContact CD1-CB 4.39Å; I104-Q440 HydrophobicContact CD1-CG 4.01Å; I104-E444 VanDerWaalsContact CD1-OE1 3.25Å; I104-E444 WeakPolarHBondContact CD1-OE1 3.46Å
105M95.7Very high93.5Very high59 Ų5973.2 Ų73.229%0.29143%0.425SS..G310 helixtrans-55.3-35.5-176-79.6-54.5-64.100114.7D101 L107 F108D101-M105 VanDerWaalsContact O-CB 3.29Å; D101-M105 WeakPolarHBondContact O-CB 2.8Å; D101-M105 WeakPolarHBondContact O-CG 3.45Å; D101-M105 PolarHBondContact O-N 3.18Å; M105-L107 PolarHBondContact O-N 3.43Å; M105-F108 PolarHBondContact O-N 3.21Å; M105-F108 HydrophobicContact SD-CD2 4.09Å
106P95.8Very high93.8Very high106 Ų10674 Ų7469%0.68843%0.43SS*.G310 helixtrans-60.4-15.2174.1-26.336.3000115.1S102 I104S102-P106 WeakPolarHBondContact O-CD 3.41Å; I104-P106 VanDerWaalsContact C-N 3.31Å
107L94.7Very high93.8Very high51 Ų5170.2 Ų70.227%0.26741%0.41SS..G310 helixtrans-86.6-17.2177.6-55.4172.8000112.4I104 M105 H109 F394 N395 A434 L435I104-L107 VanDerWaalsContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CB 3.38Å; I104-L107 PolarHBondContact O-N 3.27Å; M105-L107 PolarHBondContact O-N 3.43Å; L107-H109 PolarHBondContact O-ND1 3.5Å; L107-F394 HydrophobicContact CB-CZ 4.04Å; L107-F394 WeakPolarHBondContact O-CZ 3.3Å; L107-N395 PolarHBondContact O-ND2 3.04Å; L107-A434 HydrophobicContact CD1-CB 3.72Å; L107-A434 HydrophobicContact CD2-CB 3.92Å; L107-A434 HydrophobicContact CG-CB 4.46Å; L107-L435 HydrophobicContact CB-CD2 4.27Å; L107-L435 HydrophobicContact CD1-CD2 3.87Å; L107-L435 HydrophobicContact CD1-CG 4.38Å
108F95.2Very high93.6Very high26 Ų2676.2 Ų76.211%0.11444%0.443CS..  trans-89.5129177.9-67.6-90.4000110.5I104 M105 F394 N395 L435I104-F108 HydrophobicContact CB-CE2 4.32Å; I104-F108 HydrophobicContact CD1-CE2 4.06Å; I104-F108 HydrophobicContact CG1-CE2 4.02Å; I104-F108 WeakPolarHBondContact O-CD2 3.34Å; M105-F108 PolarHBondContact O-N 3.21Å; M105-F108 HydrophobicContact SD-CD2 4.09Å; F108-F394 AromaticContact CD1-CD2 3.95Å; F108-F394 HydrophobicContact CD1-CD2 3.95Å; F108-F394 AromaticContact CD1-CE2 3.62Å; F108-F394 HydrophobicContact CD1-CE2 3.62Å; F108-F394 HydrophobicContact CD2-CE2 4.49Å; F108-F394 AromaticContact CE1-CD2 3.69Å; F108-F394 HydrophobicContact CE1-CD2 3.69Å; F108-F394 AromaticContact CE1-CE2 3.65Å; F108-F394 HydrophobicContact CE1-CE2 3.65Å; F108-F394 HydrophobicContact CG-CE2 4.08Å; F108-F394 HydrophobicContact CZ-CD2 4.37Å; F108-F394 HydrophobicContact CZ-CE2 4.13Å; F108-N395 VanDerWaalsContact CA-OD1 3.32Å; F108-N395 WeakPolarHBondContact CA-OD1 3.44Å; F108-L435 HydrophobicContact CD2-CD2 4.41Å; F108-L435 HydrophobicContact CE2-CD2 3.57Å; F108-L435 HydrophobicContact CZ-CD1 4.13Å; F108-L435 HydrophobicContact CZ-CD2 3.84Å
109H95.4Very high93.3Very high102 Ų10276.2 Ų76.247%0.47244%0.441SS..  trans-150.3153.5177.958.4-82000109.9L107 K234 N395L107-H109 PolarHBondContact O-ND1 3.5Å; H109-K234 PolarHBondContact O-NZ 3.19Å; H109-N395 PolarHBondContact CE1-ND2 3.03Å; H109-N395 PolarHBondContact N-OD1 3.32Å; H109-N395 PolarHBondContact ND1-ND2 3.48Å; H109-N395 PolarHBondContact O-OD1 3.49Å; H109-N395 VanDerWaalsContact O-OD1 3.07Å
110S96.1Very high93Very high100 Ų10075.7 Ų75.770%0.69944%0.442SS*.PPolyproline II helixtrans-71.8145.5173.8-66.50000111.4E398S110-E398 WeakPolarHBondContact CA-OE1 3.49Å; S110-E398 WeakPolarHBondContact CA-OE2 3.4Å; S110-E398 WeakPolarHBondContact CB-OE1 3.38Å
111V93.6Very high92.9Very high33 Ų3371 Ų7120%0.242%0.417CS..PPolyproline II helixtrans-103.8153.3173.9-53.40000109.5N395 R396 E398 L399V111-N395 HydrophobicContact CG1-CB 3.75Å; V111-R396 HydrophobicContact CG1-CG 4.41Å; V111-E398 HydrophobicContact CG2-CG 3.66Å; V111-E398 WeakPolarHBondContact CG2-OE1 3.45Å; V111-E398 PolarHBondContact N-OE1 3.16Å; V111-L399 HydrophobicContact CG2-CD1 4.03Å; V111-L399 HydrophobicContact CG2-CD2 3.77Å; V111-L399 HydrophobicContact CG2-CG 3.66Å
112A92.7Very high92.8Very high80 Ų8069.7 Ų69.766%0.66141%0.41SS*.PPolyproline II helixtrans-67.3147.8175.800000110.8
113P90.4Very high92.8Very high111 Ų11164.9 Ų64.972%0.72138%0.375SS*.PPolyproline II helixtrans-52.7148.5170.9-25.334.5000112N115P113-N115 PolarHBondContact O-N 3.2Å
114L89.9Confident92.8Very high55 Ų5561 Ų6129%0.28836%0.36SS..PPolyproline II helixtrans-68.3128.2179.4-175.864.8000110.8C116 L352 Y389L114-C116 VanDerWaalsContact CD2-SG 3.54Å; L114-L352 HydrophobicContact CD1-CB 3.59Å; L114-L352 HydrophobicContact CD1-CD1 3.71Å; L114-L352 HydrophobicContact CD1-CG 4.28Å; L114-L352 HydrophobicContact CD2-CB 4.06Å; L114-L352 WeakPolarHBondContact CD2-O 3.17Å; L114-L352 HydrophobicContact CG-CB 4.47Å; L114-Y389 WeakPolarHBondContact CD2-OH 3.27Å
115N88.9Confident92.9Very high139 Ų13961.2 Ų61.274%0.74336%0.362SS*.  trans-10083.5179.4-167.330.1000110.5P113P113-N115 PolarHBondContact O-N 3.2Å
116C93.1Very high92.9Very high23 Ų2362.3 Ų62.316%0.15536%0.363CS..  trans-80.1178.6170.8-60.40000111.3L114 N118 C353L114-C116 VanDerWaalsContact CD2-SG 3.54Å; C116-N118 PolarHBondContact O-N 3.03Å; C116-C353 WeakPolarHBondContact CA-SG 3.42Å; C116-C353 HydrophobicContact CB-CB 3.71Å; C116-C353 WeakPolarHBondContact CB-SG 3.42Å; C116-C353 WeakPolarHBondContact SG-CB 3.28Å; C116-C353 CovalentContact SG-SG 2.04Å; C116-C353 PolarHBondContact SG-SG 2.76Å
117S90.8Very high92.8Very high58 Ų5861.1 Ų61.141%0.40635%0.35SS..  trans-58.5134.9179-173.50000111.4E119 G355 S356S117-E119 PolarHBondContact O-N 3.1Å; S117-E119 PolarHBondContact OG-N 2.65Å; S117-E119 VanDerWaalsContact OG-N 3.16Å; S117-G355 VanDerWaalsContact CB-C 3.42Å; S117-G355 VanDerWaalsContact CB-O 3.23Å; S117-G355 WeakPolarHBondContact CB-O 3.3Å; S117-G355 PolarHBondContact N-O 3.19Å; S117-S356 VanDerWaalsContact O-CA 3.25Å; S117-S356 WeakPolarHBondContact O-CA 3.18Å; S117-S356 WeakPolarHBondContact O-CB 3.41Å
118N88Confident92.9Very high157 Ų15758.9 Ų58.984%0.8434%0.34SS*.SBendtrans-72.5-19.2170.4-70-32.5000112.3C116C116-N118 PolarHBondContact O-N 3.03Å
119E88.2Confident93Very high85 Ų8561.6 Ų61.640%0.39735%0.351SS..SBendtrans-79.1121.2174.9-173.2-178.4168.400109.7S117 W122 S356S117-E119 PolarHBondContact O-N 3.1Å; S117-E119 PolarHBondContact OG-N 2.65Å; S117-E119 VanDerWaalsContact OG-N 3.16Å; E119-W122 PolarHBondContact OE1-NE1 3.39Å; E119-S356 VanDerWaalsContact O-CB 3.28Å; E119-S356 WeakPolarHBondContact O-CB 3.26Å; E119-S356 PolarHBondContact O-OG 3.38Å
120S90.1Very high93.1Very high50 Ų5056.7 Ų56.735%0.3533%0.329SS..PPolyproline II helixtrans-55.4143175.6-57.90000111.6W122 S356S120-W122 PolarHBondContact O-N 2.82Å; S120-S356 WeakPolarHBondContact CA-OG 3.44Å
121N92.9Very high93.1Very high5 Ų555.1 Ų55.13%0.02731%0.312CS..PPolyproline II helixtrans-58138.5171.8-71.6-13.2000109.6F123 N191 L354 G355 S356 E357N121-F123 VanDerWaalsContact C-N 3.29Å; N121-F123 PolarHBondContact O-N 2.75Å; N121-N191 VanDerWaalsContact CG-ND2 3.27Å; N121-N191 PolarHBondContact ND2-ND2 3.49Å; N121-N191 PolarHBondContact OD1-ND2 3.25Å; N121-L354 PolarHBondContact ND2-O 2.7Å; N121-G355 WeakPolarHBondContact OD1-CA 3.31Å; N121-S356 VanDerWaalsContact CG-OG 3.29Å; N121-S356 PolarHBondContact N-OG 2.97Å; N121-S356 PolarHBondContact OD1-N 3.18Å; N121-S356 PolarHBondContact OD1-OG 3.49Å; N121-S356 VanDerWaalsContact OD1-OG 3.12Å; N121-E357 PolarHBondContact ND2-OE2 3.17Å
122W92.8Very high93Very high3 Ų355.9 Ų55.91%0.01132%0.315CS..SBendtrans-74.9-27-176.6-65.28.4000112E119 S120 M133 A136 N140 I143 C181 T183 K187 Y189E119-W122 PolarHBondContact OE1-NE1 3.39Å; S120-W122 PolarHBondContact O-N 2.82Å; W122-M133 PolarHBondContact O-N 3.17Å; W122-A136 HydrophobicContact CB-CB 3.82Å; W122-A136 HydrophobicContact CG-CB 3.85Å; W122-N140 WeakPolarHBondContact CZ2-ND2 3.45Å; W122-I143 HydrophobicContact CE3-CD1 4.31Å; W122-I143 HydrophobicContact CE3-CG2 3.89Å; W122-I143 HydrophobicContact CZ3-CG2 3.62Å; W122-C181 HydrophobicContact CE3-CB 3.7Å; W122-C181 HydrophobicContact CZ3-CB 3.44Å; W122-C181 VanDerWaalsContact CZ3-CB 3.44Å; W122-T183 HydrophobicContact CH2-CG2 3.49Å; W122-T183 VanDerWaalsContact CH2-CG2 3.49Å; W122-T183 HydrophobicContact CZ3-CG2 3.81Å; W122-K187 HydrophobicContact CH2-CB 4.43Å; W122-Y189 HydrophobicContact CB-CD1 4.1Å; W122-Y189 HydrophobicContact CB-CD2 4.14Å; W122-Y189 HydrophobicContact CB-CE1 4.03Å; W122-Y189 HydrophobicContact CB-CE2 4.07Å; W122-Y189 HydrophobicContact CB-CG 4.15Å; W122-Y189 AromaticContact CD1-CD2 3.78Å; W122-Y189 VanDerWaalsContact CD2-CB 3.47Å; W122-Y189 HydrophobicContact CD2-CD1 4.21Å; W122-Y189 AromaticContact CD2-CD2 3.9Å; W122-Y189 HydrophobicContact CD2-CD2 3.9Å; W122-Y189 AromaticContact CD2-CG 3.62Å; W122-Y189 HydrophobicContact CD2-CG 3.62Å; W122-Y189 HydrophobicContact CE3-CD1 4.18Å; W122-Y189 AromaticContact CE3-CG 3.84Å; W122-Y189 HydrophobicContact CE3-CG 3.84Å; W122-Y189 HydrophobicContact CG-CD1 4.22Å; W122-Y189 AromaticContact CG-CD2 3.68Å; W122-Y189 HydrophobicContact CG-CD2 3.68Å; W122-Y189 HydrophobicContact CG-CE2 4.03Å; W122-Y189 AromaticContact CG-CG 3.78Å; W122-Y189 HydrophobicContact CG-CG 3.78Å; W122-Y189 HydrophobicContact CZ3-CG 4.43Å; W122-Y189 PolarHBondContact N-OH 3.49Å
123F94.4Very high93Very high5 Ų554.9 Ų54.92%0.02230%0.297CS..EExtended strand (participates in β ladder)trans-129.9156177.4-69.5-91.4000110.8N121 L130 I131 L132 C145 A166 I179 Y189 H193N121-F123 VanDerWaalsContact C-N 3.29Å; N121-F123 PolarHBondContact O-N 2.75Å; F123-L130 HydrophobicContact CB-CD1 3.92Å; F123-L130 HydrophobicContact CD1-CD1 3.65Å; F123-L130 HydrophobicContact CD1-CD2 3.76Å; F123-L130 HydrophobicContact CD1-CG 3.62Å; F123-L130 HydrophobicContact CE1-CD1 4.49Å; F123-L130 HydrophobicContact CE1-CD2 3.78Å; F123-L130 HydrophobicContact CE1-CG 4.09Å; F123-L130 HydrophobicContact CG-CD1 4.06Å; F123-L130 HydrophobicContact CG-CG 4.5Å; F123-I131 CarbonylContact C-O 3.53Å; F123-I131 VanDerWaalsContact CA-O 3.31Å; F123-I131 WeakPolarHBondContact CA-O 3.35Å; F123-L132 HydrophobicContact CD1-CB 4.19Å; F123-L132 HydrophobicContact CD1-CD1 4.16Å; F123-L132 HydrophobicContact CD2-CD1 4.49Å; F123-L132 HydrophobicContact CE1-CB 3.91Å; F123-L132 HydrophobicContact CE1-CD1 3.66Å; F123-L132 HydrophobicContact CE1-CG 4.34Å; F123-L132 HydrophobicContact CE2-CD1 4Å; F123-L132 HydrophobicContact CZ-CD1 3.58Å; F123-C145 HydrophobicContact CE2-CB 4.26Å; F123-C145 VanDerWaalsContact CE2-SG 3.51Å; F123-C145 HydrophobicContact CZ-CB 4.27Å; F123-A166 HydrophobicContact CZ-CB 4.4Å; F123-I179 HydrophobicContact CB-CD1 3.85Å; F123-I179 HydrophobicContact CD1-CD1 4.12Å; F123-I179 HydrophobicContact CD2-CD1 3.79Å; F123-I179 HydrophobicContact CD2-CG2 4.01Å; F123-I179 HydrophobicContact CE2-CD1 4.37Å; F123-I179 HydrophobicContact CE2-CG2 4.14Å; F123-I179 HydrophobicContact CG-CD1 3.65Å; F123-Y189 HydrophobicContact CD2-CE1 4.28Å; F123-H193 PolarHBondContact O-CE1 3.41Å
124T94.8Very high92.6Very high33 Ų3356.3 Ų56.320%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-132173.9161.3-170.40000108.9I131T124-I131 HydrophobicContact CG2-CB 3.78Å; T124-I131 HydrophobicContact CG2-CD1 4.34Å; T124-I131 HydrophobicContact CG2-CG2 4.13Å; T124-I131 PolarHBondContact N-O 3.29Å; T124-I131 PolarHBondContact O-N 2.82Å
125A96.9Very high92.1Very high5 Ų556.8 Ų56.84%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-142.3141.3171.500000111.7K129 L172 F177 T195A125-K129 WeakPolarHBondContact CA-O 3.34Å; A125-K129 VanDerWaalsContact CB-O 3.31Å; A125-K129 WeakPolarHBondContact CB-O 3.34Å; A125-L172 HydrophobicContact CB-CD1 3.89Å; A125-F177 HydrophobicContact CB-CE1 3.8Å; A125-F177 HydrophobicContact CB-CZ 3.62Å; A125-T195 HydrophobicContact CB-CG2 3.97Å
126R96.4Very high91.3Very high82 Ų8250.3 Ų50.331%0.30926%0.26SS..EExtended strand (participates in β ladder)trans-149.3144.6178.2-68.9-63.2-176.3171.11.6109.2G128 K129 I131 T195 S365 E368 D369R126-G128 PolarHBondContact O-N 3.01Å; R126-K129 PolarHBondContact N-O 3.31Å; R126-K129 VanDerWaalsContact N-O 3.1Å; R126-K129 PolarHBondContact O-N 2.95Å; R126-I131 HydrophobicContact CB-CD1 4.17Å; R126-T195 WeakPolarHBondContact CA-OG1 3.43Å; R126-S365 PolarHBondContact NH1-O 3Å; R126-S365 PolarHBondContact NH2-OG 3.22Å; R126-E368 IonicContact NH1-OE2 2.74Å; R126-E368 IonicContact NH2-OE2 3.59Å; R126-D369 WeakPolarHBondContact CA-OD1 3.19Å
127N94.4Very high90.2Very high80 Ų8053.1 Ų53.143%0.42828%0.277SS..THydrogen-bonded Turntrans50.641.6177.2-167.426.1000113.4K129 T195 I196 D369 T373N127-K129 PolarHBondContact O-N 3.22Å; N127-T195 PolarHBondContact N-OG1 3.26Å; N127-I196 CarbonylContact C-O 3.56Å; N127-D369 PolarHBondContact N-OD1 3.33Å; N127-D369 PolarHBondContact N-OD2 3.02Å; N127-T373 WeakPolarHBondContact CA-OG1 3.41Å; N127-T373 WeakPolarHBondContact OD1-CG2 3.38Å
128G96.5Very high89.1Confident5 Ų559 Ų595%0.05229%0.29CS..THydrogen-bonded Turntrans66.920.3179.400000114.1R126 L172 T195 I196R126-G128 PolarHBondContact O-N 3.01Å; G128-L172 WeakPolarHBondContact O-CB 3.45Å; G128-L172 PolarHBondContact O-N 3.43Å; G128-T195 PolarHBondContact N-OG1 2.92Å; G128-I196 WeakPolarHBondContact CA-O 3.47Å; G128-I196 PolarHBondContact N-O 2.97Å
129K97.5Very high88.1Confident82 Ų8256.4 Ų56.436%0.35727%0.273SS..EExtended strand (participates in β ladder)trans-122.1141.6177.8-67.3-177.7164.1-1580111.8A125 R126 N127 N169 M170A125-K129 WeakPolarHBondContact CA-O 3.34Å; A125-K129 VanDerWaalsContact CB-O 3.31Å; A125-K129 WeakPolarHBondContact CB-O 3.34Å; R126-K129 PolarHBondContact N-O 3.31Å; R126-K129 VanDerWaalsContact N-O 3.1Å; R126-K129 PolarHBondContact O-N 2.95Å; N127-K129 PolarHBondContact O-N 3.22Å; K129-N169 WeakPolarHBondContact CD-OD1 3.18Å; K129-N169 PolarHBondContact NZ-OD1 2.76Å; K129-M170 WeakPolarHBondContact CA-O 3.46Å
130L97Very high86.9Confident0 Ų052.8 Ų52.80%026%0.256CS..EExtended strand (participates in β ladder)trans-79.5138.5169.7-173.264.1000110.2F123 L147 A166 N169 M170 L172 F177 I179F123-L130 HydrophobicContact CB-CD1 3.92Å; F123-L130 HydrophobicContact CD1-CD1 3.65Å; F123-L130 HydrophobicContact CD1-CD2 3.76Å; F123-L130 HydrophobicContact CD1-CG 3.62Å; F123-L130 HydrophobicContact CE1-CD1 4.49Å; F123-L130 HydrophobicContact CE1-CD2 3.78Å; F123-L130 HydrophobicContact CE1-CG 4.09Å; F123-L130 HydrophobicContact CG-CD1 4.06Å; F123-L130 HydrophobicContact CG-CG 4.5Å; L130-L147 HydrophobicContact CD2-CD1 4.01Å; L130-A166 HydrophobicContact CD2-CB 3.92Å; L130-N169 WeakPolarHBondContact O-CA 3.35Å; L130-N169 PolarHBondContact O-N 2.86Å; L130-M170 HydrophobicContact CB-CG 3.79Å; L130-M170 HydrophobicContact CD2-CG 4.11Å; L130-M170 HydrophobicContact CD2-SD 4.09Å; L130-M170 PolarHBondContact N-O 3.09Å; L130-L172 HydrophobicContact CB-CD2 4.28Å; L130-F177 HydrophobicContact CD1-CE2 3.64Å; L130-F177 HydrophobicContact CD1-CZ 3.72Å; L130-I179 HydrophobicContact CD1-CD1 3.56Å; L130-I179 HydrophobicContact CD2-CD1 4.04Å; L130-I179 HydrophobicContact CG-CD1 4.45Å
131I95.5Very high85.7Confident66 Ų6655.9 Ų55.934%0.33829%0.285SS..EExtended strand (participates in β ladder)trans-129.6120.4179.6-57.1170.4000108.5F123 T124 R126 D168F123-I131 CarbonylContact C-O 3.53Å; F123-I131 VanDerWaalsContact CA-O 3.31Å; F123-I131 WeakPolarHBondContact CA-O 3.35Å; T124-I131 HydrophobicContact CG2-CB 3.78Å; T124-I131 HydrophobicContact CG2-CD1 4.34Å; T124-I131 HydrophobicContact CG2-CG2 4.13Å; T124-I131 PolarHBondContact N-O 3.29Å; T124-I131 PolarHBondContact O-N 2.82Å; R126-I131 HydrophobicContact CB-CD1 4.17Å; I131-D168 WeakPolarHBondContact CA-OD1 3.33Å
132L92.5Very high84.8Confident49 Ų4959.2 Ų59.226%0.25731%0.309SS..EExtended strand (participates in β ladder)trans-79.5126.4174.1178.563.5000109.8F123 V137 D168F123-L132 HydrophobicContact CD1-CB 4.19Å; F123-L132 HydrophobicContact CD1-CD1 4.16Å; F123-L132 HydrophobicContact CD2-CD1 4.49Å; F123-L132 HydrophobicContact CE1-CB 3.91Å; F123-L132 HydrophobicContact CE1-CD1 3.66Å; F123-L132 HydrophobicContact CE1-CG 4.34Å; F123-L132 HydrophobicContact CE2-CD1 4Å; F123-L132 HydrophobicContact CZ-CD1 3.58Å; L132-V137 HydrophobicContact CD2-CG2 3.53Å; L132-V137 HydrophobicContact CG-CG2 3.83Å; L132-D168 HydrophobicContact CB-CB 3.78Å; L132-D168 HydrophobicContact CD2-CB 4.45Å; L132-D168 PolarHBondContact N-OD1 3.06Å
133M91.5Very high84.4Confident59 Ų5961.1 Ų61.129%0.29132%0.319SS..  trans-78.4133-179.6-63-161.666.300111W122 E135 A136 V137W122-M133 PolarHBondContact O-N 3.17Å; M133-E135 PolarHBondContact O-N 3.34Å; M133-A136 WeakPolarHBondContact O-CB 3.41Å; M133-A136 PolarHBondContact O-N 3Å; M133-V137 PolarHBondContact O-N 3.27Å
134Q81.6Confident84.1Confident141 Ų14168.3 Ų68.366%0.65935%0.352SS*.Hα-helixtrans-62.6-28.9-175.1-69.3-172.6-12.100113.1A136 V137 R138Q134-A136 VanDerWaalsContact C-N 3.26Å; Q134-A136 PolarHBondContact O-N 3.17Å; Q134-V137 PolarHBondContact O-N 2.58Å; Q134-R138 PolarHBondContact O-N 3.04Å; Q134-R138 PolarHBondContact O-NE 3.48Å
135E79.8Confident84.1Confident65 Ų6567.3 Ų67.330%0.30435%0.347SS..Hα-helixtrans-58.7-39173.5-67.565.7-139.400111.2M133 R138 Q139M133-E135 PolarHBondContact O-N 3.34Å; E135-R138 IonicContact OE1-NH2 3.4Å; E135-R138 PolarHBondContact OE1-NH2 3.18Å; E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 3.42Å
136A73Confident84.1Confident3 Ų371.7 Ų71.73%0.02537%0.366CS..Hα-helixtrans-71.9-38.9-179.700000112.4W122 M133 Q134 R138 Q139 N140W122-A136 HydrophobicContact CB-CB 3.82Å; W122-A136 HydrophobicContact CG-CB 3.85Å; M133-A136 WeakPolarHBondContact O-CB 3.41Å; M133-A136 PolarHBondContact O-N 3Å; Q134-A136 VanDerWaalsContact C-N 3.26Å; Q134-A136 PolarHBondContact O-N 3.17Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 3.01Å; A136-Q139 PolarHBondContact O-N 3.23Å; A136-N140 PolarHBondContact O-N 2.89Å
137V70Confident84.2Confident83 Ų8367.9 Ų67.950%0.50335%0.352SS..Hα-helixtrans-60.3-41.4175.9179.40000111.3L132 M133 Q134 Q139L132-V137 HydrophobicContact CD2-CG2 3.53Å; L132-V137 HydrophobicContact CG-CG2 3.83Å; M133-V137 PolarHBondContact O-N 3.27Å; Q134-V137 PolarHBondContact O-N 2.58Å; V137-Q139 VanDerWaalsContact C-N 3.27Å; V137-Q139 PolarHBondContact O-N 2.92Å
138R67.4Low84.3Confident180 Ų18065.4 Ų65.468%0.67934%0.338SS*.Hα-helixtrans-67.2-27.5180-75.2-178.7-82.6176.6-4.6113.1Q134 E135 A136Q134-R138 PolarHBondContact O-N 3.04Å; Q134-R138 PolarHBondContact O-NE 3.48Å; E135-R138 IonicContact OE1-NH2 3.4Å; E135-R138 PolarHBondContact OE1-NH2 3.18Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 3.01Å
139Q66.4Low84.4Confident103 Ų10365.2 Ų65.248%0.48134%0.336SS..Hα-helixtrans-89.1-26.6-175.6-69.6179.415.100113.4E135 A136 V137E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 3.42Å; A136-Q139 PolarHBondContact O-N 3.23Å; V137-Q139 VanDerWaalsContact C-N 3.27Å; V137-Q139 PolarHBondContact O-N 2.92Å
140N62.9Low84.5Confident9 Ų961.4 Ų61.45%0.04832%0.32CS..  trans-137.7102.8-168.8-56.6-47.9000111.3W122 A136 S142 I143 T183W122-N140 WeakPolarHBondContact CZ2-ND2 3.45Å; A136-N140 PolarHBondContact O-N 2.89Å; N140-S142 PolarHBondContact O-N 2.76Å; N140-I143 HydrophobicContact CB-CD1 3.65Å; N140-I143 HydrophobicContact CB-CG1 3.39Å; N140-I143 WeakPolarHBondContact O-CG1 3.48Å; N140-T183 HydrophobicContact CB-CG2 3.73Å
141A65.1Low84.5Confident115 Ų11563.3 Ų63.395%0.9533%0.331SS*.SBendtrans-69.1-15-174.600000114.9
142S74.8Confident84.7Confident75 Ų7561.7 Ų61.752%0.52432%0.322SS..SBendtrans-146.298.5175.4-157.30000108.8N140N140-S142 PolarHBondContact O-N 2.76Å
143I83.3Confident84.9Confident44 Ų4462 Ų6223%0.22632%0.323CS..EExtended strand (participates in β ladder)trans-108.1122.2176.7-43.8179.2000107.7W122 N140 C145 C181 T183W122-I143 HydrophobicContact CE3-CD1 4.31Å; W122-I143 HydrophobicContact CE3-CG2 3.89Å; W122-I143 HydrophobicContact CZ3-CG2 3.62Å; N140-I143 HydrophobicContact CB-CD1 3.65Å; N140-I143 HydrophobicContact CB-CG1 3.39Å; N140-I143 WeakPolarHBondContact O-CG1 3.48Å; I143-C145 WeakPolarHBondContact CG2-SG 3.3Å; I143-C181 HydrophobicContact CG2-CB 3.77Å; I143-T183 HydrophobicContact CG1-CG2 4.3Å; I143-T183 HydrophobicContact CG2-CG2 4.3Å
144Q88.6Confident85.1Confident155 Ų15561.4 Ų61.472%0.72432%0.322SS*.EExtended strand (participates in β ladder)trans-100.5125.1166-69.4-174.6-17.400108.4C181 A182Q144-C181 CarbonylContact O-C 3.58Å; Q144-C181 WeakPolarHBondContact O-CA 3.41Å; Q144-A182 PolarHBondContact N-O 3.14Å; Q144-A182 VanDerWaalsContact N-O 3.07Å; Q144-A182 PolarHBondContact O-N 2.89Å
145C94.6Very high85.8Confident13 Ų1354.8 Ų54.89%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-129.2135.6-177.6-66.10000111F123 I143 A166 I179 Q180 C181F123-C145 HydrophobicContact CE2-CB 4.26Å; F123-C145 VanDerWaalsContact CE2-SG 3.51Å; F123-C145 HydrophobicContact CZ-CB 4.27Å; I143-C145 WeakPolarHBondContact CG2-SG 3.3Å; C145-A166 HydrophobicContact CB-CB 3.68Å; C145-A166 PolarHBondContact O-N 3.08Å; C145-I179 HydrophobicContact CB-CG2 4.42Å; C145-Q180 CarbonylContact C-O 3.54Å; C145-Q180 WeakPolarHBondContact CA-O 3.32Å; C145-C181 HydrophobicContact CB-CB 4.07Å; C145-C181 WeakPolarHBondContact CB-SG 3.29Å; C145-C181 WeakPolarHBondContact SG-CB 3.13Å; C145-C181 CovalentContact SG-SG 2.04Å; C145-C181 PolarHBondContact SG-SG 3.3Å
146E97Very high86.5Confident96 Ų9655.5 Ų55.545%0.44929%0.293SS..EExtended strand (participates in β ladder)trans-110.5134.4169.7-64.7-171.7150.800110.1R163 S164 I179 Q180E146-R163 WeakPolarHBondContact OE2-CD 3.49Å; E146-R163 IonicContact OE2-CZ 3.45Å; E146-R163 IonicContact OE2-NH1 3.85Å; E146-R163 PolarHBondContact OE2-NH1 2.75Å; E146-S164 CarbonylContact C-O 3.6Å; E146-S164 WeakPolarHBondContact CA-O 3.39Å; E146-I179 WeakPolarHBondContact O-CA 3.39Å; E146-Q180 PolarHBondContact N-O 3.46Å; E146-Q180 PolarHBondContact O-N 3.25Å
147L98Very high87.7Confident3 Ų358.3 Ų58.32%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-103.6132.7171.9-175.6148.5000109.3L130 P149 R163 S164 A166 M170 L172 F177 K178 I179L130-L147 HydrophobicContact CD2-CD1 4.01Å; L147-P149 HydrophobicContact CD2-CG 3.82Å; L147-R163 VanDerWaalsContact O-CA 3.31Å; L147-R163 WeakPolarHBondContact O-CA 3.47Å; L147-S164 PolarHBondContact N-O 2.69Å; L147-S164 PolarHBondContact O-N 2.85Å; L147-A166 HydrophobicContact CB-CB 3.98Å; L147-M170 HydrophobicContact CD1-SD 4.4Å; L147-L172 HydrophobicContact CD1-CD2 3.47Å; L147-L172 VanDerWaalsContact CD1-CD2 3.47Å; L147-L172 HydrophobicContact CD2-CD2 4.43Å; L147-F177 HydrophobicContact CD1-CB 4.3Å; L147-F177 HydrophobicContact CD1-CD2 3.42Å; L147-F177 VanDerWaalsContact CD1-CD2 3.42Å; L147-F177 HydrophobicContact CD1-CE2 3.82Å; L147-F177 HydrophobicContact CD1-CG 3.87Å; L147-F177 HydrophobicContact CD2-CB 3.92Å; L147-F177 HydrophobicContact CD2-CG 4.36Å; L147-F177 HydrophobicContact CG-CB 3.99Å; L147-F177 HydrophobicContact CG-CD2 3.76Å; L147-F177 HydrophobicContact CG-CG 4.09Å; L147-K178 CarbonylContact C-O 3.57Å; L147-K178 WeakPolarHBondContact CA-O 3.46Å; L147-I179 HydrophobicContact CB-CG1 4.4Å; L147-I179 HydrophobicContact CD1-CD1 4.33Å; L147-I179 HydrophobicContact CD1-CG1 4.32Å; L147-I179 HydrophobicContact CG-CG1 4.37Å
148Q98.4Very high89Confident27 Ų2755.4 Ų55.413%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-120.3109.4174.2-167172.821.300110.1T160 L161 R163 F177 K178Q148-T160 HydrophobicContact CG-CG2 4.45Å; Q148-T160 VanDerWaalsContact NE2-CB 3.34Å; Q148-T160 PolarHBondContact NE2-OG1 2.78Å; Q148-L161 WeakPolarHBondContact CG-O 3.5Å; Q148-R163 HydrophobicContact CB-CG 4.07Å; Q148-R163 HydrophobicContact CG-CG 4.02Å; Q148-F177 CarbonylContact O-C 3.56Å; Q148-F177 VanDerWaalsContact O-CA 3.27Å; Q148-F177 WeakPolarHBondContact O-CA 3.27Å; Q148-F177 WeakPolarHBondContact O-CB 3.18Å; Q148-K178 HydrophobicContact CB-CB 4.46Å; Q148-K178 PolarHBondContact N-O 3.49Å; Q148-K178 PolarHBondContact O-N 2.87Å
149P98.6Very high90.4Very high2 Ų252.3 Ų52.31%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-66.9146.3177.5-16.830.2000112L147 T160 L161 N162 T174L147-P149 HydrophobicContact CD2-CG 3.82Å; P149-T160 CarbonylContact O-C 3.58Å; P149-T160 WeakPolarHBondContact O-CA 3.18Å; P149-L161 HydrophobicContact CB-CB 3.96Å; P149-L161 HydrophobicContact CB-CD1 3.97Å; P149-L161 HydrophobicContact CB-CG 4.08Å; P149-L161 HydrophobicContact CG-CB 4.05Å; P149-L161 HydrophobicContact CG-CD1 4.46Å; P149-L161 PolarHBondContact O-N 3.06Å; P149-N162 WeakPolarHBondContact CD-O 3.47Å; P149-T174 HydrophobicContact CB-CG2 3.98Å; P149-T174 WeakPolarHBondContact CB-OG1 3.37Å
150I98.6Very high91.9Very high2 Ų250.2 Ų50.21%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-121.7132.2-178.6-56155.1000108.7V158 T174 F176 K178 Y192 T337 K341I150-V158 HydrophobicContact CG2-CB 4.13Å; I150-V158 HydrophobicContact CG2-CG1 4.48Å; I150-V158 HydrophobicContact CG2-CG2 4.35Å; I150-T174 PolarHBondContact O-OG1 3.32Å; I150-F176 HydrophobicContact CB-CB 4.02Å; I150-F176 HydrophobicContact CD1-CB 4.39Å; I150-F176 PolarHBondContact N-O 3.49Å; I150-K178 HydrophobicContact CD1-CB 4.42Å; I150-Y192 HydrophobicContact CD1-CD1 4.44Å; I150-T337 HydrophobicContact CG2-CG2 4.08Å; I150-K341 HydrophobicContact CD1-CB 4.05Å; I150-K341 HydrophobicContact CD1-CG 3.53Å; I150-K341 HydrophobicContact CG1-CG 4.02Å; I150-K341 HydrophobicContact CG2-CB 4.06Å; I150-K341 HydrophobicContact CG2-CG 4.22Å
151V97.9Very high93.6Very high40 Ų4052.8 Ų52.824%0.24229%0.291CS..EExtended strand (participates in β ladder)trans-130.6152.4179.5-59.10000111.8K159 L161 T174V151-K159 HydrophobicContact CG2-CB 3.54Å; V151-K159 PolarHBondContact N-O 2.85Å; V151-K159 PolarHBondContact O-N 2.72Å; V151-L161 HydrophobicContact CG1-CD1 4.12Å; V151-L161 HydrophobicContact CG1-CD2 4.4Å; V151-L161 HydrophobicContact CG1-CG 4.21Å; V151-L161 HydrophobicContact CG2-CD2 4.16Å; V151-T174 HydrophobicContact CG1-CG2 3.33Å
152F97.9Very high95.1Very high32 Ų3254.5 Ų54.514%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-60.1135.6172.2179.2-92.9000110.5D154 Q329 Y334 T337F152-D154 WeakPolarHBondContact CE2-O 3.32Å; F152-D154 VanDerWaalsContact CZ-C 3.43Å; F152-Q329 HydrophobicContact CB-CG 4.5Å; F152-Q329 HydrophobicContact CD1-CB 3.9Å; F152-Q329 HydrophobicContact CE1-CB 4.2Å; F152-Q329 HydrophobicContact CG-CB 4.14Å; F152-Q329 HydrophobicContact CG-CG 4.31Å; F152-Y334 AromaticContact CD2-CD1 3.85Å; F152-Y334 HydrophobicContact CD2-CD1 3.85Å; F152-Y334 AromaticContact CD2-CE1 3.99Å; F152-Y334 HydrophobicContact CD2-CE1 3.99Å; F152-Y334 HydrophobicContact CE2-CD1 4.01Å; F152-Y334 AromaticContact CE2-CE1 3.71Å; F152-Y334 HydrophobicContact CE2-CE1 3.71Å; F152-T337 HydrophobicContact CB-CG2 4.38Å
153N97.4Very high96.2Very high54 Ų5455.8 Ų55.829%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-113-55.6167.1-18056.6000110.4T157 K159N153-T157 PolarHBondContact ND2-OG1 2.98Å; N153-K159 HydrophobicContact CB-CB 4.42Å; N153-K159 HydrophobicContact CB-CD 3.88Å; N153-K159 HydrophobicContact CB-CG 3.89Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; N153-K159 WeakPolarHBondContact OD1-CE 3.2Å; N153-K159 PolarHBondContact OD1-NZ 3.28Å
154D95.7Very high96.9Very high48 Ų4855.6 Ų55.626%0.25728%0.281SS..EExtended strand (participates in β ladder)trans-153.7-178.6168.956.249.8000108.3F152 F156 T157F152-D154 WeakPolarHBondContact CE2-O 3.32Å; F152-D154 VanDerWaalsContact CZ-C 3.43Å; D154-F156 PolarHBondContact O-N 2.89Å; D154-F156 VanDerWaalsContact O-N 3.09Å; D154-F156 WeakPolarHBondContact OD1-CA 3.28Å; D154-F156 PolarHBondContact OD1-N 2.8Å; D154-T157 PolarHBondContact N-O 2.83Å; D154-T157 PolarHBondContact OD1-N 3.37Å; D154-T157 PolarHBondContact OD1-OG1 3.04Å; D154-T157 PolarHBondContact OD2-OG1 2.77Å; D154-T157 VanDerWaalsContact OD2-OG1 3.07Å
155D95.8Very high97.2Very high1 Ų154.2 Ų54.21%0.00527%0.274CS..THydrogen-bonded Turntrans-68.8-5.1-177.4-109.49.2000115.8T320 G325 F326 Y334 R336D155-T320 HydrophobicContact CB-CG2 3.69Å; D155-T320 WeakPolarHBondContact OD2-CG2 3.31Å; D155-G325 WeakPolarHBondContact OD2-CA 3.49Å; D155-F326 WeakPolarHBondContact CB-O 3.41Å; D155-F326 VanDerWaalsContact CG-N 3.28Å; D155-F326 PolarHBondContact N-O 2.9Å; D155-F326 VanDerWaalsContact OD2-CD2 3.3Å; D155-F326 WeakPolarHBondContact OD2-CD2 3.39Å; D155-F326 PolarHBondContact OD2-N 2.77Å; D155-Y334 WeakPolarHBondContact OD1-CE1 3.49Å; D155-Y334 PolarHBondContact OD1-OH 3.02Å; D155-R336 PolarHBondContact O-NE 2.78Å; D155-R336 PolarHBondContact O-NH2 3.17Å; D155-R336 IonicContact OD1-NE 3.91Å
156F96.1Very high97.2Very high80 Ų8054.2 Ų54.235%0.35128%0.275SS..THydrogen-bonded Turntrans-121.3-13.4-176.5-58.8-78.3000113.7D154 T320 K324 L340D154-F156 PolarHBondContact O-N 2.89Å; D154-F156 VanDerWaalsContact O-N 3.09Å; D154-F156 WeakPolarHBondContact OD1-CA 3.28Å; D154-F156 PolarHBondContact OD1-N 2.8Å; F156-T320 HydrophobicContact CE1-CG2 4.35Å; F156-T320 HydrophobicContact CZ-CG2 4.3Å; F156-K324 VanDerWaalsContact CE2-O 3.31Å; F156-K324 WeakPolarHBondContact CE2-O 3.44Å; F156-L340 VanDerWaalsContact C-CD2 3.49Å
157T96.6Very high97Very high62 Ų6254.9 Ų54.938%0.3828%0.276SS..EExtended strand (participates in β ladder)trans-138.8154.1-179.462.10000111.3N153 D154N153-T157 PolarHBondContact ND2-OG1 2.98Å; D154-T157 PolarHBondContact N-O 2.83Å; D154-T157 PolarHBondContact OD1-N 3.37Å; D154-T157 PolarHBondContact OD1-OG1 3.04Å; D154-T157 PolarHBondContact OD2-OG1 2.77Å; D154-T157 VanDerWaalsContact OD2-OG1 3.07Å
158V97.5Very high96.8Very high22 Ų2259.1 Ų59.113%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-117.9157.3173.8-59.20000110.4I150 T337 L340 K341 E344I150-V158 HydrophobicContact CG2-CB 4.13Å; I150-V158 HydrophobicContact CG2-CG1 4.48Å; I150-V158 HydrophobicContact CG2-CG2 4.35Å; V158-T337 HydrophobicContact CG1-CG2 3.86Å; V158-L340 HydrophobicContact CG1-CB 4.06Å; V158-L340 HydrophobicContact CG1-CD2 3.73Å; V158-L340 HydrophobicContact CG1-CG 3.99Å; V158-K341 HydrophobicContact CG2-CB 4.12Å; V158-K341 HydrophobicContact CG2-CD 3.9Å; V158-K341 HydrophobicContact CG2-CG 4.42Å; V158-E344 WeakPolarHBondContact CG2-OE2 3.38Å
159K97.6Very high96.6Very high115 Ų11562.4 Ų62.450%0.532%0.318SS..EExtended strand (participates in β ladder)trans-109.1143.2169.8-87.9164.1173.5161.50108.8V151 N153V151-K159 HydrophobicContact CG2-CB 3.54Å; V151-K159 PolarHBondContact N-O 2.85Å; V151-K159 PolarHBondContact O-N 2.72Å; N153-K159 HydrophobicContact CB-CB 4.42Å; N153-K159 HydrophobicContact CB-CD 3.88Å; N153-K159 HydrophobicContact CB-CG 3.89Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; N153-K159 WeakPolarHBondContact OD1-CE 3.2Å; N153-K159 PolarHBondContact OD1-NZ 3.28Å
160T98Very high96.5Very high60 Ų6064.4 Ų64.437%0.36833%0.327SS..EExtended strand (participates in β ladder)trans-109.1139.6170.757.50000110.2Q148 P149Q148-T160 HydrophobicContact CG-CG2 4.45Å; Q148-T160 VanDerWaalsContact NE2-CB 3.34Å; Q148-T160 PolarHBondContact NE2-OG1 2.78Å; P149-T160 CarbonylContact O-C 3.58Å; P149-T160 WeakPolarHBondContact O-CA 3.18Å
161L98Very high96.4Very high62 Ų6268.8 Ų68.833%0.32536%0.358SS..  trans-87.4179.1173.8-51.7-174.1000111Q148 P149 V151 T174Q148-L161 WeakPolarHBondContact CG-O 3.5Å; P149-L161 HydrophobicContact CB-CB 3.96Å; P149-L161 HydrophobicContact CB-CD1 3.97Å; P149-L161 HydrophobicContact CB-CG 4.08Å; P149-L161 HydrophobicContact CG-CB 4.05Å; P149-L161 HydrophobicContact CG-CD1 4.46Å; P149-L161 PolarHBondContact O-N 3.06Å; V151-L161 HydrophobicContact CG1-CD1 4.12Å; V151-L161 HydrophobicContact CG1-CD2 4.4Å; V151-L161 HydrophobicContact CG1-CG 4.21Å; V151-L161 HydrophobicContact CG2-CD2 4.16Å; L161-T174 HydrophobicContact CD1-CG2 4.01Å
162N97.8Very high96.4Very high151 Ų15167.5 Ų67.581%0.80735%0.35SS*.  trans-61.4142.8177.6-70.4-15.2000111.2P149P149-N162 WeakPolarHBondContact CD-O 3.47Å
163R97.7Very high96.3Very high102 Ų10272.3 Ų72.339%0.38537%0.373SS..  trans-70.2146.1175-65.9172.4174-104.1-10.5110.4E146 L147 Q148E146-R163 WeakPolarHBondContact OE2-CD 3.49Å; E146-R163 IonicContact OE2-CZ 3.45Å; E146-R163 IonicContact OE2-NH1 3.85Å; E146-R163 PolarHBondContact OE2-NH1 2.75Å; L147-R163 VanDerWaalsContact O-CA 3.31Å; L147-R163 WeakPolarHBondContact O-CA 3.47Å; Q148-R163 HydrophobicContact CB-CG 4.07Å; Q148-R163 HydrophobicContact CG-CG 4.02Å
164S96.6Very high96.3Very high41 Ų4170.4 Ų70.429%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-137.8159.7170.760.20000110.6E146 L147 A166E146-S164 CarbonylContact C-O 3.6Å; E146-S164 WeakPolarHBondContact CA-O 3.39Å; L147-S164 PolarHBondContact N-O 2.69Å; L147-S164 PolarHBondContact O-N 2.85Å; S164-A166 PolarHBondContact O-N 3.38Å
165E95.9Very high96.4Very high125 Ų12568.5 Ų68.558%0.58435%0.353SS*.EExtended strand (participates in β ladder)trans-59.8127.8171.4-170.7-173.6170.800109.8K167E165-K167 HydrophobicContact CG-CG 4.36Å; E165-K167 PolarHBondContact O-N 2.82Å; E165-K167 VanDerWaalsContact OE1-CE 3.29Å; E165-K167 WeakPolarHBondContact OE1-CE 3.46Å; E165-K167 IonicContact OE1-NZ 3.87Å; E165-K167 WeakPolarHBondContact OE2-CE 3.4Å; E165-K167 IonicContact OE2-NZ 2.82Å; E165-K167 PolarHBondContact OE2-NZ 3.05Å
166A94.9Very high96.5Very high13 Ų1368.8 Ų68.811%0.10735%0.354CS..  trans-81.4116.4177.900000109.7F123 L130 C145 L147 S164 I179F123-A166 HydrophobicContact CZ-CB 4.4Å; L130-A166 HydrophobicContact CD2-CB 3.92Å; C145-A166 HydrophobicContact CB-CB 3.68Å; C145-A166 PolarHBondContact O-N 3.08Å; L147-A166 HydrophobicContact CB-CB 3.98Å; S164-A166 PolarHBondContact O-N 3.38Å; A166-I179 HydrophobicContact CB-CD1 4.47Å
167K92.6Very high96.6Very high110 Ų11065 Ų6548%0.47834%0.338SS..  trans-119.3140.6-178.6-65.2-178.9-177.8177.10110.6E165 N169 M170E165-K167 HydrophobicContact CG-CG 4.36Å; E165-K167 PolarHBondContact O-N 2.82Å; E165-K167 VanDerWaalsContact OE1-CE 3.29Å; E165-K167 WeakPolarHBondContact OE1-CE 3.46Å; E165-K167 IonicContact OE1-NZ 3.87Å; E165-K167 WeakPolarHBondContact OE2-CE 3.4Å; E165-K167 IonicContact OE2-NZ 2.82Å; E165-K167 PolarHBondContact OE2-NZ 3.05Å; K167-N169 PolarHBondContact O-N 3.03Å; K167-M170 HydrophobicContact CB-CB 4.35Å; K167-M170 PolarHBondContact N-SD 2.81Å; K167-M170 WeakPolarHBondContact O-CB 3.42Å; K167-M170 WeakPolarHBondContact O-CG 3.42Å; K167-M170 PolarHBondContact O-N 2.85Å
168D93.2Very high96.7Very high93 Ų9363.2 Ų63.250%0.49733%0.325SS..THydrogen-bonded Turntrans-55.5141173.7-174.140.3000111.2I131 L132 M170I131-D168 WeakPolarHBondContact CA-OD1 3.33Å; L132-D168 HydrophobicContact CB-CB 3.78Å; L132-D168 HydrophobicContact CD2-CB 4.45Å; L132-D168 PolarHBondContact N-OD1 3.06Å; D168-M170 PolarHBondContact O-N 3.47Å; D168-M170 VanDerWaalsContact O-N 3.11Å
169N94.6Very high96.7Very high96 Ų9662.2 Ų62.251%0.51332%0.318SS..THydrogen-bonded Turntrans58.416.6-179-167.334.6000115.1K129 L130 K167K129-N169 WeakPolarHBondContact CD-OD1 3.18Å; K129-N169 PolarHBondContact NZ-OD1 2.76Å; L130-N169 WeakPolarHBondContact O-CA 3.35Å; L130-N169 PolarHBondContact O-N 2.86Å; K167-N169 PolarHBondContact O-N 3.03Å
170M96Very high96.6Very high44 Ų4459.6 Ų59.622%0.21731%0.308CS..PPolyproline II helixtrans-69.4142.6173.776.4178-74.200111.4K129 L130 L147 K167 D168K129-M170 WeakPolarHBondContact CA-O 3.46Å; L130-M170 HydrophobicContact CB-CG 3.79Å; L130-M170 HydrophobicContact CD2-CG 4.11Å; L130-M170 HydrophobicContact CD2-SD 4.09Å; L130-M170 PolarHBondContact N-O 3.09Å; L147-M170 HydrophobicContact CD1-SD 4.4Å; K167-M170 HydrophobicContact CB-CB 4.35Å; K167-M170 PolarHBondContact N-SD 2.81Å; K167-M170 WeakPolarHBondContact O-CB 3.42Å; K167-M170 WeakPolarHBondContact O-CG 3.42Å; K167-M170 PolarHBondContact O-N 2.85Å; D168-M170 PolarHBondContact O-N 3.47Å; D168-M170 VanDerWaalsContact O-N 3.11Å
171S97.1Very high96.4Very high93 Ų9357.1 Ų57.165%0.6529%0.293SS*.BIsolated β-bridgetrans-71.6135.9170.2-58.60000110.7
172L97.6Very high96Very high13 Ų1356.4 Ų56.47%0.06830%0.296CS..PPolyproline II helixtrans-92.7144.8180-64.8164.7000110.6A125 G128 L130 L147 F177 T195 V197A125-L172 HydrophobicContact CB-CD1 3.89Å; G128-L172 WeakPolarHBondContact O-CB 3.45Å; G128-L172 PolarHBondContact O-N 3.43Å; L130-L172 HydrophobicContact CB-CD2 4.28Å; L147-L172 HydrophobicContact CD1-CD2 3.47Å; L147-L172 VanDerWaalsContact CD1-CD2 3.47Å; L147-L172 HydrophobicContact CD2-CD2 4.43Å; L172-F177 HydrophobicContact CD1-CD1 3.97Å; L172-F177 HydrophobicContact CD1-CE1 3.34Å; L172-F177 HydrophobicContact CD1-CZ 3.91Å; L172-F177 HydrophobicContact CD2-CD1 3.9Å; L172-F177 HydrophobicContact CD2-CE1 3.9Å; L172-F177 HydrophobicContact CD2-CG 4.28Å; L172-F177 HydrophobicContact CD2-CZ 4.24Å; L172-F177 HydrophobicContact CG-CD1 4.5Å; L172-F177 HydrophobicContact CG-CE1 4.25Å; L172-T195 HydrophobicContact CD1-CG2 3.54Å; L172-V197 HydrophobicContact CB-CG2 4.04Å
173Q95.3Very high95.5Very high133 Ų13349.8 Ų49.862%0.62126%0.261SS*.SBendtrans-82.3-28179.7-62.217818.200112.2
174T97.7Very high94.9Very high15 Ų1549.6 Ų49.69%0.09228%0.281CS..SBendtrans-140.8157.1-169.762.20000109.5P149 I150 V151 L161 F176 V197P149-T174 HydrophobicContact CB-CG2 3.98Å; P149-T174 WeakPolarHBondContact CB-OG1 3.37Å; I150-T174 PolarHBondContact O-OG1 3.32Å; V151-T174 HydrophobicContact CG1-CG2 3.33Å; L161-T174 HydrophobicContact CD1-CG2 4.01Å; T174-F176 PolarHBondContact O-N 3.37Å; T174-F176 PolarHBondContact OG1-O 3.47Å; T174-V197 VanDerWaalsContact C-CG2 3.47Å; T174-V197 WeakPolarHBondContact O-CG2 3.4Å
175D98.2Very high94.3Very high8 Ų852.4 Ų52.44%0.04329%0.293CS..SBendtrans-62-27178.1-7321.1000112.9A194 T195 V197 K199 H333 Y366D175-A194 CarbonylContact O-C 3.59Å; D175-A194 WeakPolarHBondContact O-CA 3.44Å; D175-T195 CarbonylContact C-O 3.35Å; D175-T195 WeakPolarHBondContact CA-O 3.04Å; D175-T195 WeakPolarHBondContact CB-O 3.26Å; D175-T195 VanDerWaalsContact CG-O 3.29Å; D175-T195 PolarHBondContact O-N 3.03Å; D175-T195 VanDerWaalsContact O-O 3.13Å; D175-V197 PolarHBondContact OD1-N 2.94Å; D175-K199 IonicContact OD1-NZ 2.69Å; D175-H333 IonicContact OD1-CE1 2.81Å; D175-H333 IonicContact OD1-ND1 3.29Å; D175-H333 IonicContact OD2-CE1 3.38Å; D175-H333 IonicContact OD2-CG 2.83Å; D175-H333 IonicContact OD2-ND1 2.98Å; D175-H333 PolarHBondContact OD2-ND1 3.42Å; D175-Y366 HydrophobicContact CB-CE2 4.36Å; D175-Y366 PolarHBondContact OD2-OH 3.44Å
176F98.6Very high93.8Very high7 Ų749.1 Ų49.13%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-126140.5-170.8-44.2-55.1000110.8I150 T174 H193 A194 Y334 L335 T337 F338 Y366I150-F176 HydrophobicContact CB-CB 4.02Å; I150-F176 HydrophobicContact CD1-CB 4.39Å; I150-F176 PolarHBondContact N-O 3.49Å; T174-F176 PolarHBondContact O-N 3.37Å; T174-F176 PolarHBondContact OG1-O 3.47Å; F176-H193 WeakPolarHBondContact CA-O 3.42Å; F176-A194 HydrophobicContact CD1-CB 3.79Å; F176-A194 HydrophobicContact CE1-CB 4.02Å; F176-Y334 WeakPolarHBondContact CE2-O 3.5Å; F176-Y334 WeakPolarHBondContact CZ-O 3.48Å; F176-L335 HydrophobicContact CE1-CD1 3.67Å; F176-L335 HydrophobicContact CZ-CD1 4.25Å; F176-T337 HydrophobicContact CD2-CG2 3.93Å; F176-T337 HydrophobicContact CE2-CG2 4.24Å; F176-F338 HydrophobicContact CB-CD2 4.37Å; F176-F338 HydrophobicContact CD1-CB 3.61Å; F176-F338 HydrophobicContact CD1-CD2 4.05Å; F176-F338 HydrophobicContact CD1-CG 4.2Å; F176-F338 HydrophobicContact CD2-CB 4.47Å; F176-F338 HydrophobicContact CE1-CB 3.86Å; F176-F338 HydrophobicContact CG-CB 3.93Å; F176-F338 HydrophobicContact CG-CD2 4.46Å; F176-F338 HydrophobicContact CZ-CB 4.4Å; F176-Y366 HydrophobicContact CE1-CD2 4.39Å; F176-Y366 AromaticContact CE1-CE2 3.6Å; F176-Y366 HydrophobicContact CE1-CE2 3.6Å; F176-Y366 AromaticContact CE1-CZ 3.74Å; F176-Y366 HydrophobicContact CZ-CE2 4.14Å; F176-Y366 AromaticContact CZ-CZ 3.81Å; F176-Y366 VanDerWaalsContact CZ-OH 3.32Å; F176-Y366 WeakPolarHBondContact CZ-OH 3.34Å
177F98.3Very high93.5Very high1 Ų152.7 Ų52.70%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-156.6153.4177.257.6-84.8000111.3A125 L130 L147 Q148 L172 I179 H193 T195A125-F177 HydrophobicContact CB-CE1 3.8Å; A125-F177 HydrophobicContact CB-CZ 3.62Å; L130-F177 HydrophobicContact CD1-CE2 3.64Å; L130-F177 HydrophobicContact CD1-CZ 3.72Å; L147-F177 HydrophobicContact CD1-CB 4.3Å; L147-F177 HydrophobicContact CD1-CD2 3.42Å; L147-F177 VanDerWaalsContact CD1-CD2 3.42Å; L147-F177 HydrophobicContact CD1-CE2 3.82Å; L147-F177 HydrophobicContact CD1-CG 3.87Å; L147-F177 HydrophobicContact CD2-CB 3.92Å; L147-F177 HydrophobicContact CD2-CG 4.36Å; L147-F177 HydrophobicContact CG-CB 3.99Å; L147-F177 HydrophobicContact CG-CD2 3.76Å; L147-F177 HydrophobicContact CG-CG 4.09Å; Q148-F177 CarbonylContact O-C 3.56Å; Q148-F177 VanDerWaalsContact O-CA 3.27Å; Q148-F177 WeakPolarHBondContact O-CA 3.27Å; Q148-F177 WeakPolarHBondContact O-CB 3.18Å; L172-F177 HydrophobicContact CD1-CD1 3.97Å; L172-F177 HydrophobicContact CD1-CE1 3.34Å; L172-F177 HydrophobicContact CD1-CZ 3.91Å; L172-F177 HydrophobicContact CD2-CD1 3.9Å; L172-F177 HydrophobicContact CD2-CE1 3.9Å; L172-F177 HydrophobicContact CD2-CG 4.28Å; L172-F177 HydrophobicContact CD2-CZ 4.24Å; L172-F177 HydrophobicContact CG-CD1 4.5Å; L172-F177 HydrophobicContact CG-CE1 4.25Å; F177-I179 HydrophobicContact CD2-CD1 4.09Å; F177-I179 HydrophobicContact CD2-CG1 3.78Å; F177-I179 HydrophobicContact CE2-CD1 3.62Å; F177-I179 HydrophobicContact CE2-CG1 3.82Å; F177-H193 HydrophobicContact CD1-CB 4.44Å; F177-H193 HydrophobicContact CD2-CB 4.19Å; F177-H193 HydrophobicContact CE1-CB 3.76Å; F177-H193 HydrophobicContact CE2-CB 3.51Å; F177-H193 AromaticContact CE2-CD2 3.67Å; F177-H193 AromaticContact CE2-CG 3.84Å; F177-H193 HydrophobicContact CZ-CB 3.27Å; F177-H193 AromaticContact CZ-CG 3.95Å; F177-H193 PolarHBondContact N-O 3.45Å; F177-H193 VanDerWaalsContact N-O 3.17Å; F177-H193 PolarHBondContact O-N 2.96Å; F177-T195 HydrophobicContact CE1-CG2 4.24Å
178K97.9Very high93.3Very high24 Ų2453.3 Ų53.310%0.10431%0.314CS..EExtended strand (participates in β ladder)trans-99.8136.4170.5-178.1-178.3-170.7161.80108.8L147 Q148 I150 Q180 N191 Y192 D345L147-K178 CarbonylContact C-O 3.57Å; L147-K178 WeakPolarHBondContact CA-O 3.46Å; Q148-K178 HydrophobicContact CB-CB 4.46Å; Q148-K178 PolarHBondContact N-O 3.49Å; Q148-K178 PolarHBondContact O-N 2.87Å; I150-K178 HydrophobicContact CD1-CB 4.42Å; K178-Q180 HydrophobicContact CD-CG 4.31Å; K178-Q180 HydrophobicContact CG-CG 4.25Å; K178-N191 WeakPolarHBondContact CA-O 3.21Å; K178-Y192 HydrophobicContact CB-CD1 3.95Å; K178-Y192 HydrophobicContact CB-CE1 3.96Å; K178-Y192 HydrophobicContact CD-CD1 4.47Å; K178-Y192 HydrophobicContact CD-CE1 3.66Å; K178-Y192 VanDerWaalsContact CE-OH 3.27Å; K178-Y192 WeakPolarHBondContact CE-OH 3.4Å; K178-Y192 HydrophobicContact CG-CD1 4.02Å; K178-Y192 HydrophobicContact CG-CE1 3.67Å; K178-Y192 PolarHBondContact NZ-OH 3.44Å; K178-Y192 VanDerWaalsContact NZ-OH 3.11Å; K178-D345 IonicContact NZ-OD2 3.98Å; K178-D345 PolarHBondContact NZ-OD2 2.8Å
179I97Very high93.3Very high0 Ų049.8 Ų49.80%029%0.294CS..EExtended strand (participates in β ladder)trans-111.8136.3168.3-69.5-175.3000109.2F123 L130 C145 E146 L147 A166 F177 C181 Y189 T190 N191F123-I179 HydrophobicContact CB-CD1 3.85Å; F123-I179 HydrophobicContact CD1-CD1 4.12Å; F123-I179 HydrophobicContact CD2-CD1 3.79Å; F123-I179 HydrophobicContact CD2-CG2 4.01Å; F123-I179 HydrophobicContact CE2-CD1 4.37Å; F123-I179 HydrophobicContact CE2-CG2 4.14Å; F123-I179 HydrophobicContact CG-CD1 3.65Å; L130-I179 HydrophobicContact CD1-CD1 3.56Å; L130-I179 HydrophobicContact CD2-CD1 4.04Å; L130-I179 HydrophobicContact CG-CD1 4.45Å; C145-I179 HydrophobicContact CB-CG2 4.42Å; E146-I179 WeakPolarHBondContact O-CA 3.39Å; L147-I179 HydrophobicContact CB-CG1 4.4Å; L147-I179 HydrophobicContact CD1-CD1 4.33Å; L147-I179 HydrophobicContact CD1-CG1 4.32Å; L147-I179 HydrophobicContact CG-CG1 4.37Å; A166-I179 HydrophobicContact CB-CD1 4.47Å; F177-I179 HydrophobicContact CD2-CD1 4.09Å; F177-I179 HydrophobicContact CD2-CG1 3.78Å; F177-I179 HydrophobicContact CE2-CD1 3.62Å; F177-I179 HydrophobicContact CE2-CG1 3.82Å; I179-C181 WeakPolarHBondContact CG2-SG 3.5Å; I179-Y189 HydrophobicContact CB-CE1 4.33Å; I179-Y189 HydrophobicContact CG2-CD1 4.08Å; I179-Y189 HydrophobicContact CG2-CE1 3.99Å; I179-T190 VanDerWaalsContact O-CA 3.32Å; I179-T190 WeakPolarHBondContact O-CA 3.27Å; I179-N191 PolarHBondContact N-O 3.43Å; I179-N191 PolarHBondContact O-N 3.46Å
180Q96.1Very high93.3Very high61 Ų6148.7 Ų48.729%0.28529%0.291SS..EExtended strand (participates in β ladder)trans-128.3125.9169.7-59.1-175.8-9000108.5C145 E146 K178 Y189 T190C145-Q180 CarbonylContact C-O 3.54Å; C145-Q180 WeakPolarHBondContact CA-O 3.32Å; E146-Q180 PolarHBondContact N-O 3.46Å; E146-Q180 PolarHBondContact O-N 3.25Å; K178-Q180 HydrophobicContact CD-CG 4.31Å; K178-Q180 HydrophobicContact CG-CG 4.25Å; Q180-Y189 CarbonylContact C-O 3.57Å; Q180-Y189 VanDerWaalsContact CA-O 3.31Å; Q180-Y189 WeakPolarHBondContact CA-O 3.27Å; Q180-T190 HydrophobicContact CG-CG2 4.12Å
181C93.9Very high93.3Very high8 Ų846.7 Ų46.75%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-126.2149.7178.1-53.30000111.1W122 I143 Q144 C145 I179 N188 Y189W122-C181 HydrophobicContact CE3-CB 3.7Å; W122-C181 HydrophobicContact CZ3-CB 3.44Å; W122-C181 VanDerWaalsContact CZ3-CB 3.44Å; I143-C181 HydrophobicContact CG2-CB 3.77Å; Q144-C181 CarbonylContact O-C 3.58Å; Q144-C181 WeakPolarHBondContact O-CA 3.41Å; C145-C181 HydrophobicContact CB-CB 4.07Å; C145-C181 WeakPolarHBondContact CB-SG 3.29Å; C145-C181 WeakPolarHBondContact SG-CB 3.13Å; C145-C181 CovalentContact SG-SG 2.04Å; C145-C181 PolarHBondContact SG-SG 3.3Å; I179-C181 WeakPolarHBondContact CG2-SG 3.5Å; C181-N188 VanDerWaalsContact O-CA 3.31Å; C181-N188 WeakPolarHBondContact O-CA 3.39Å; C181-Y189 HydrophobicContact CB-CD1 4.5Å; C181-Y189 PolarHBondContact N-O 3.09Å; C181-Y189 PolarHBondContact O-N 2.94Å
182A90.1Very high93.3Very high46 Ų4643 Ų4338%0.3825%0.253SS..EExtended strand (participates in β ladder)trans-130.5141.5169.100000109.4Q144 K187Q144-A182 PolarHBondContact N-O 3.14Å; Q144-A182 VanDerWaalsContact N-O 3.07Å; Q144-A182 PolarHBondContact O-N 2.89Å; A182-K187 WeakPolarHBondContact CA-O 3.44Å
183T86.9Confident93.2Very high13 Ų1342.9 Ų42.98%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-108.9159.6177.360.50000110.6W122 N140 I143 D185 G186 K187W122-T183 HydrophobicContact CH2-CG2 3.49Å; W122-T183 VanDerWaalsContact CH2-CG2 3.49Å; W122-T183 HydrophobicContact CZ3-CG2 3.81Å; N140-T183 HydrophobicContact CB-CG2 3.73Å; I143-T183 HydrophobicContact CG1-CG2 4.3Å; I143-T183 HydrophobicContact CG2-CG2 4.3Å; T183-D185 WeakPolarHBondContact CB-OD1 3.24Å; T183-D185 PolarHBondContact O-N 2.85Å; T183-D185 PolarHBondContact OG1-OD1 3.08Å; T183-G186 PolarHBondContact O-N 3.14Å; T183-K187 HydrophobicContact CG2-CB 4.42Å; T183-K187 PolarHBondContact N-O 2.66Å; T183-K187 WeakPolarHBondContact OG1-CA 3.39Å; T183-K187 VanDerWaalsContact OG1-CB 3.3Å; T183-K187 WeakPolarHBondContact OG1-CB 3.27Å; T183-K187 PolarHBondContact OG1-N 2.92Å; T183-K187 PolarHBondContact OG1-O 3.02Å; T183-K187 VanDerWaalsContact OG1-O 3.1Å
184A84.4Confident93.3Very high98 Ų9837.4 Ų37.481%0.8123%0.229SC*.THydrogen-bonded Turntrans-62.8-26.3178.600000113.7G186A184-G186 VanDerWaalsContact C-N 3.26Å
185D84.2Confident93.3Very high100 Ų10036.7 Ų36.754%0.53523%0.225SC..THydrogen-bonded Turntrans-83.63.9174.767.4-28.3000113.4T183 K187T183-D185 WeakPolarHBondContact CB-OD1 3.24Å; T183-D185 PolarHBondContact O-N 2.85Å; T183-D185 PolarHBondContact OG1-OD1 3.08Å; D185-K187 WeakPolarHBondContact OD2-CE 3.25Å; D185-K187 IonicContact OD2-NZ 2.64Å; D185-K187 PolarHBondContact OD2-NZ 3.17Å
186G85.2Confident93.3Very high55 Ų5536.3 Ų36.357%0.56722%0.223SC*.SBendtrans86.510.7173.300000115.3T183 A184T183-G186 PolarHBondContact O-N 3.14Å; A184-G186 VanDerWaalsContact C-N 3.26Å
187K87.8Confident93.3Very high88 Ų8837 Ų3738%0.38323%0.228SC..  trans-76143.2170.5-59175.5-176.5160.70109.9W122 A182 T183 D185W122-K187 HydrophobicContact CH2-CB 4.43Å; A182-K187 WeakPolarHBondContact CA-O 3.44Å; T183-K187 HydrophobicContact CG2-CB 4.42Å; T183-K187 PolarHBondContact N-O 2.66Å; T183-K187 WeakPolarHBondContact OG1-CA 3.39Å; T183-K187 VanDerWaalsContact OG1-CB 3.3Å; T183-K187 WeakPolarHBondContact OG1-CB 3.27Å; T183-K187 PolarHBondContact OG1-N 2.92Å; T183-K187 PolarHBondContact OG1-O 3.02Å; T183-K187 VanDerWaalsContact OG1-O 3.1Å; D185-K187 WeakPolarHBondContact OD2-CE 3.25Å; D185-K187 IonicContact OD2-NZ 2.64Å; D185-K187 PolarHBondContact OD2-NZ 3.17Å
188N90.3Very high93Very high123 Ų12339.9 Ų39.966%0.65825%0.246SC*.EExtended strand (participates in β ladder)trans-121.9139.2176.9-66-37.3000109.6C181C181-N188 VanDerWaalsContact O-CA 3.31Å; C181-N188 WeakPolarHBondContact O-CA 3.39Å
189Y91.7Very high92.7Very high19 Ų1941.9 Ų41.98%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-119.7130.1171.1170.7-96.7000108.4W122 F123 I179 Q180 C181 N191 H193W122-Y189 HydrophobicContact CB-CD1 4.1Å; W122-Y189 HydrophobicContact CB-CD2 4.14Å; W122-Y189 HydrophobicContact CB-CE1 4.03Å; W122-Y189 HydrophobicContact CB-CE2 4.07Å; W122-Y189 HydrophobicContact CB-CG 4.15Å; W122-Y189 AromaticContact CD1-CD2 3.78Å; W122-Y189 VanDerWaalsContact CD2-CB 3.47Å; W122-Y189 HydrophobicContact CD2-CD1 4.21Å; W122-Y189 AromaticContact CD2-CD2 3.9Å; W122-Y189 HydrophobicContact CD2-CD2 3.9Å; W122-Y189 AromaticContact CD2-CG 3.62Å; W122-Y189 HydrophobicContact CD2-CG 3.62Å; W122-Y189 HydrophobicContact CE3-CD1 4.18Å; W122-Y189 AromaticContact CE3-CG 3.84Å; W122-Y189 HydrophobicContact CE3-CG 3.84Å; W122-Y189 HydrophobicContact CG-CD1 4.22Å; W122-Y189 AromaticContact CG-CD2 3.68Å; W122-Y189 HydrophobicContact CG-CD2 3.68Å; W122-Y189 HydrophobicContact CG-CE2 4.03Å; W122-Y189 AromaticContact CG-CG 3.78Å; W122-Y189 HydrophobicContact CG-CG 3.78Å; W122-Y189 HydrophobicContact CZ3-CG 4.43Å; W122-Y189 PolarHBondContact N-OH 3.49Å; F123-Y189 HydrophobicContact CD2-CE1 4.28Å; I179-Y189 HydrophobicContact CB-CE1 4.33Å; I179-Y189 HydrophobicContact CG2-CD1 4.08Å; I179-Y189 HydrophobicContact CG2-CE1 3.99Å; Q180-Y189 CarbonylContact C-O 3.57Å; Q180-Y189 VanDerWaalsContact CA-O 3.31Å; Q180-Y189 WeakPolarHBondContact CA-O 3.27Å; C181-Y189 HydrophobicContact CB-CD1 4.5Å; C181-Y189 PolarHBondContact N-O 3.09Å; C181-Y189 PolarHBondContact O-N 2.94Å; Y189-N191 HydrophobicContact CE1-CB 3.74Å; Y189-N191 HydrophobicContact CE2-CB 3.88Å; Y189-N191 WeakPolarHBondContact OH-CB 3.49Å; Y189-N191 PolarHBondContact OH-ND2 3.26Å; Y189-N191 VanDerWaalsContact OH-ND2 3.08Å; Y189-H193 PolarHBondContact OH-CE1 3.18Å; Y189-H193 PolarHBondContact OH-NE2 3.37Å
190T94.5Very high91.6Very high73 Ų7350.5 Ų50.545%0.44830%0.296SS..EExtended strand (participates in β ladder)trans-135.4123.1170.2-68.50000108.1I179 Q180I179-T190 VanDerWaalsContact O-CA 3.32Å; I179-T190 WeakPolarHBondContact O-CA 3.27Å; Q180-T190 HydrophobicContact CG-CG2 4.12Å
191N95.8Very high90.1Very high3 Ų350.9 Ų50.92%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-150.2165.4178.8-153.8-3.1000111.4N121 K178 I179 Y189N121-N191 VanDerWaalsContact CG-ND2 3.27Å; N121-N191 PolarHBondContact ND2-ND2 3.49Å; N121-N191 PolarHBondContact OD1-ND2 3.25Å; K178-N191 WeakPolarHBondContact CA-O 3.21Å; I179-N191 PolarHBondContact N-O 3.43Å; I179-N191 PolarHBondContact O-N 3.46Å; Y189-N191 HydrophobicContact CE1-CB 3.74Å; Y189-N191 HydrophobicContact CE2-CB 3.88Å; Y189-N191 WeakPolarHBondContact OH-CB 3.49Å; Y189-N191 PolarHBondContact OH-ND2 3.26Å; Y189-N191 VanDerWaalsContact OH-ND2 3.08Å
192Y96.9Very high88.8Confident16 Ų1651.1 Ų51.16%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-119.8136.1179.6-53.6-95.4000108I150 K178 K341 V342 D345 T346 L354I150-Y192 HydrophobicContact CD1-CD1 4.44Å; K178-Y192 HydrophobicContact CB-CD1 3.95Å; K178-Y192 HydrophobicContact CB-CE1 3.96Å; K178-Y192 HydrophobicContact CD-CD1 4.47Å; K178-Y192 HydrophobicContact CD-CE1 3.66Å; K178-Y192 VanDerWaalsContact CE-OH 3.27Å; K178-Y192 WeakPolarHBondContact CE-OH 3.4Å; K178-Y192 HydrophobicContact CG-CD1 4.02Å; K178-Y192 HydrophobicContact CG-CE1 3.67Å; K178-Y192 PolarHBondContact NZ-OH 3.44Å; K178-Y192 VanDerWaalsContact NZ-OH 3.11Å; Y192-K341 HydrophobicContact CD1-CG 4.36Å; Y192-K341 HydrophobicContact CE1-CG 4.19Å; Y192-V342 HydrophobicContact CD1-CG2 4.23Å; Y192-V342 HydrophobicContact CD2-CG2 3.95Å; Y192-V342 HydrophobicContact CG-CG2 3.73Å; Y192-D345 HydrophobicContact CE1-CB 4.32Å; Y192-D345 WeakPolarHBondContact CE1-OD2 3.24Å; Y192-D345 WeakPolarHBondContact OH-CB 3.31Å; Y192-D345 PolarHBondContact OH-OD2 2.97Å; Y192-T346 HydrophobicContact CE2-CG2 4.45Å; Y192-L354 HydrophobicContact CD2-CD2 3.91Å
193H97Very high87.5Confident9 Ų955.8 Ų55.84%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-127.8148.1-177.6-60.6-80.2000110.5F123 F176 F177 Y189F123-H193 PolarHBondContact O-CE1 3.41Å; F176-H193 WeakPolarHBondContact CA-O 3.42Å; F177-H193 HydrophobicContact CD1-CB 4.44Å; F177-H193 HydrophobicContact CD2-CB 4.19Å; F177-H193 HydrophobicContact CE1-CB 3.76Å; F177-H193 HydrophobicContact CE2-CB 3.51Å; F177-H193 AromaticContact CE2-CD2 3.67Å; F177-H193 AromaticContact CE2-CG 3.84Å; F177-H193 HydrophobicContact CZ-CB 3.27Å; F177-H193 AromaticContact CZ-CG 3.95Å; F177-H193 PolarHBondContact N-O 3.45Å; F177-H193 VanDerWaalsContact N-O 3.17Å; F177-H193 PolarHBondContact O-N 2.96Å; Y189-H193 PolarHBondContact OH-CE1 3.18Å; Y189-H193 PolarHBondContact OH-NE2 3.37Å
194A97.6Very high86.6Confident18 Ų1862.5 Ų62.515%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-124.1138.217500000109.6D175 F176 L335 F338 Y366D175-A194 CarbonylContact O-C 3.59Å; D175-A194 WeakPolarHBondContact O-CA 3.44Å; F176-A194 HydrophobicContact CD1-CB 3.79Å; F176-A194 HydrophobicContact CE1-CB 4.02Å; A194-L335 HydrophobicContact CB-CD1 4.11Å; A194-F338 HydrophobicContact CB-CD2 4.01Å; A194-F338 HydrophobicContact CB-CE2 4.11Å; A194-F338 HydrophobicContact CB-CG 4.32Å; A194-Y366 HydrophobicContact CB-CD2 3.97Å; A194-Y366 HydrophobicContact CB-CE2 4.41Å
195T97.9Very high85.9Confident0 Ų069.5 Ų69.50%036%0.36CS..  trans-151.9173.8175.4-174.20000108.8A125 R126 N127 G128 L172 D175 F177 V197 Y366 D369A125-T195 HydrophobicContact CB-CG2 3.97Å; R126-T195 WeakPolarHBondContact CA-OG1 3.43Å; N127-T195 PolarHBondContact N-OG1 3.26Å; G128-T195 PolarHBondContact N-OG1 2.92Å; L172-T195 HydrophobicContact CD1-CG2 3.54Å; D175-T195 CarbonylContact C-O 3.35Å; D175-T195 WeakPolarHBondContact CA-O 3.04Å; D175-T195 WeakPolarHBondContact CB-O 3.26Å; D175-T195 VanDerWaalsContact CG-O 3.29Å; D175-T195 PolarHBondContact O-N 3.03Å; D175-T195 VanDerWaalsContact O-O 3.13Å; F177-T195 HydrophobicContact CE1-CG2 4.24Å; T195-V197 HydrophobicContact CG2-CG2 4.49Å; T195-Y366 WeakPolarHBondContact O-CE2 3.41Å; T195-D369 VanDerWaalsContact CA-OD2 3.22Å; T195-D369 WeakPolarHBondContact CA-OD2 3.47Å; T195-D369 WeakPolarHBondContact CB-OD2 3.37Å; T195-D369 PolarHBondContact OG1-OD2 3.11Å
196I98.1Very high85.6Confident0 Ų066 Ų660%035%0.345CS..  trans-103.9115176.5-62.9-71000109N127 G128 P198 L308 H333 Y366 D369 F370 T373 Y374N127-I196 CarbonylContact C-O 3.56Å; G128-I196 WeakPolarHBondContact CA-O 3.47Å; G128-I196 PolarHBondContact N-O 2.97Å; I196-P198 WeakPolarHBondContact O-CD 3.36Å; I196-L308 HydrophobicContact CD1-CD1 4.07Å; I196-H333 HydrophobicContact CD1-CB 4Å; I196-Y366 HydrophobicContact CD1-CD2 3.92Å; I196-Y366 HydrophobicContact CD1-CE1 4.07Å; I196-Y366 HydrophobicContact CD1-CE2 3.37Å; I196-Y366 HydrophobicContact CD1-CG 4.47Å; I196-Y366 VanDerWaalsContact CD1-CZ 3.45Å; I196-Y366 HydrophobicContact CG1-CD2 4.32Å; I196-Y366 HydrophobicContact CG1-CE2 4.12Å; I196-D369 HydrophobicContact CG1-CB 4.09Å; I196-D369 PolarHBondContact N-OD2 3.27Å; I196-F370 HydrophobicContact CD1-CB 3.94Å; I196-F370 HydrophobicContact CD1-CD2 4.18Å; I196-F370 HydrophobicContact CD1-CG 4.49Å; I196-F370 HydrophobicContact CG1-CB 3.83Å; I196-F370 HydrophobicContact CG2-CD2 4.23Å; I196-T373 HydrophobicContact CB-CG2 4.28Å; I196-T373 HydrophobicContact CG2-CG2 3.65Å; I196-Y374 HydrophobicContact CG2-CD2 4.35Å; I196-Y374 HydrophobicContact CG2-CE2 3.82Å
197V97.4Very high85.4Confident22 Ų2267.2 Ų67.213%0.13334%0.338CS..  trans-92.8109.1168179.20000107.8L172 T174 D175 T195 K199 H333L172-V197 HydrophobicContact CB-CG2 4.04Å; T174-V197 VanDerWaalsContact C-CG2 3.47Å; T174-V197 WeakPolarHBondContact O-CG2 3.4Å; D175-V197 PolarHBondContact OD1-N 2.94Å; T195-V197 HydrophobicContact CG2-CG2 4.49Å; V197-K199 PolarHBondContact O-N 3.32Å; V197-H333 PolarHBondContact O-CE1 2.97Å
198P92.6Very high85.1Confident61 Ų6168.7 Ų68.740%0.39636%0.357SS..  trans-60.3135.4-174.716.5-22.2000111.5I196 T373 Y374I196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-T373 HydrophobicContact CB-CG2 3.73Å; P198-T373 HydrophobicContact CG-CG2 3.6Å; P198-Y374 HydrophobicContact CB-CE1 4.14Å
199K90.5Very high84.9Confident67 Ų6763.4 Ų63.429%0.29133%0.329SS..  trans-87.6132-179.1-52.8-56.7179.5-160.20110.5D175 V197 S201 M202 D332 Y374D175-K199 IonicContact OD1-NZ 2.69Å; V197-K199 PolarHBondContact O-N 3.32Å; K199-S201 PolarHBondContact O-N 3.16Å; K199-S201 VanDerWaalsContact O-N 3.15Å; K199-M202 HydrophobicContact CB-CG 4.45Å; K199-M202 WeakPolarHBondContact O-CB 3.21Å; K199-M202 PolarHBondContact O-N 2.73Å; K199-M202 VanDerWaalsContact O-N 3.14Å; K199-D332 WeakPolarHBondContact CE-O 3.47Å; K199-D332 HydrophobicContact CG-CB 4.36Å; K199-Y374 PolarHBondContact N-OH 2.73Å; K199-Y374 VanDerWaalsContact N-OH 3.16Å
200E73.7Confident84.8Confident181 Ų18167.5 Ų67.585%0.84635%0.353SS*.G310 helixtrans-57.1-32.3-176.2-65.7-175.816800114M202 N203E200-M202 PolarHBondContact O-N 2.81Å; E200-N203 PolarHBondContact O-N 3.28Å
201S64.7Low84.5Confident69 Ų6966.2 Ų66.248%0.48335%0.353SS..G310 helixtrans-63.2-6.3179.864.70000114.5K199K199-S201 PolarHBondContact O-N 3.16Å; K199-S201 VanDerWaalsContact O-N 3.15Å
202M67.7Low84.3Confident13 Ų1367.1 Ų67.16%0.06436%0.357CS..G310 helixtrans-95.65.8-177.1-60.9-60.1-170.100114.1K199 E200 E204 K301 A306 D332 Y374 Q378K199-M202 HydrophobicContact CB-CG 4.45Å; K199-M202 WeakPolarHBondContact O-CB 3.21Å; K199-M202 PolarHBondContact O-N 2.73Å; K199-M202 VanDerWaalsContact O-N 3.14Å; E200-M202 PolarHBondContact O-N 2.81Å; M202-E204 PolarHBondContact O-N 3.04Å; M202-K301 HydrophobicContact CE-CD 4.23Å; M202-A306 VanDerWaalsContact CE-CA 3.49Å; M202-A306 HydrophobicContact CE-CB 3.93Å; M202-A306 HydrophobicContact SD-CB 4.29Å; M202-D332 HydrophobicContact CE-CB 4.15Å; M202-D332 VanDerWaalsContact CE-OD1 3.24Å; M202-D332 WeakPolarHBondContact CE-OD1 3.5Å; M202-D332 WeakPolarHBondContact CE-OD2 3.2Å; M202-Y374 HydrophobicContact CB-CD1 4.37Å; M202-Y374 HydrophobicContact CB-CE1 3.79Å; M202-Y374 HydrophobicContact CG-CE1 3.78Å; M202-Q378 PolarHBondContact O-OE1 2.75Å
203N62.6Low83.8Confident144 Ų14477.1 Ų77.177%0.7740%0.401SS*.  trans-81.8-0.8174.6-69.5-27.8000113E200E200-N203 PolarHBondContact O-N 3.28Å
204E67Low83.4Confident153 Ų15381.2 Ų81.272%0.71542%0.416SS*.SBendtrans-78.6138.4175.6-64.7-175.6-179.400111M202 A206M202-E204 PolarHBondContact O-N 3.04Å; E204-A206 PolarHBondContact O-N 2.9Å
205R70.7Confident83.1Confident245 Ų24580.9 Ų80.993%0.92541%0.412SS*.PPolyproline II helixtrans-62128.6176.1-75-176.3-179.9175.60.6109.5
206A77.2Confident83.1Confident27 Ų2781 Ų8122%0.22341%0.413CS..PPolyproline II helixtrans-55.1145.7174.100000111.7E204 P215 P379E204-A206 PolarHBondContact O-N 2.9Å; A206-P215 HydrophobicContact CB-CG 4.29Å; A206-P379 HydrophobicContact CB-CG 3.59Å
207N81.4Confident83.1Confident80 Ų8081.2 Ų81.243%0.42841%0.414SS..PPolyproline II helixtrans-65.4139.6177.1-74.5-36.6000109.9V209 Q302 L303N207-V209 PolarHBondContact O-N 2.77Å; N207-Q302 PolarHBondContact ND2-O 3.27Å; N207-L303 HydrophobicContact CB-CD2 3.95Å; N207-L303 PolarHBondContact N-O 3.45Å; N207-L303 VanDerWaalsContact N-O 3.08Å
208P81.7Confident83.1Confident120 Ų12080.2 Ų80.278%0.77941%0.408SS*.PPolyproline II helixtrans-61.8138.3177.825.9-33.3000110.3
209V87.2Confident83.4Confident12 Ų1277.3 Ų77.37%0.07339%0.389CS..  trans-108150.6170.5-66.80000109.6N207 F212 P215N207-V209 PolarHBondContact O-N 2.77Å; V209-F212 HydrophobicContact CG2-CB 4.15Å; V209-F212 HydrophobicContact CG2-CD2 4.13Å; V209-P215 HydrophobicContact CG1-CB 4.13Å; V209-P215 HydrophobicContact CG1-CG 3.98Å; V209-P215 HydrophobicContact CG2-CB 3.98Å; V209-P215 HydrophobicContact CG2-CG 3.95Å
210N88.1Confident83.8Confident105 Ų10574.2 Ų74.256%0.56138%0.376SS*.BIsolated β-bridgetrans-77.7136.3178.7-66.2-24.4000110.7N491 F492N210-N491 VanDerWaalsContact CB-OD1 3.23Å; N210-N491 WeakPolarHBondContact CB-OD1 3.19Å; N210-N491 PolarHBondContact ND2-OD1 3.16Å; N210-F492 PolarHBondContact O-N 3.38Å
211G89.7Confident85Confident45 Ų4565.6 Ų65.646%0.46434%0.335SS..THydrogen-bonded Turntrans95.7-13.7175.300000115F492G211-F492 VanDerWaalsContact CA-O 3.25Å; G211-F492 WeakPolarHBondContact CA-O 3.32Å
212F91Very high86.6Confident23 Ų2362.3 Ų62.310%0.10131%0.313CS..SBendtrans-129.9148178.9-53.7-80.2000111.3V209 R214 L216 W457 F458 F462 L489 F492V209-F212 HydrophobicContact CG2-CB 4.15Å; V209-F212 HydrophobicContact CG2-CD2 4.13Å; F212-R214 WeakPolarHBondContact CB-O 3.41Å; F212-R214 PolarHBondContact O-N 2.66Å; F212-L216 HydrophobicContact CD1-CD1 4.46Å; F212-L216 HydrophobicContact CD1-CG 4.47Å; F212-L216 HydrophobicContact CE1-CD1 3.98Å; F212-L216 HydrophobicContact CE1-CG 4.45Å; F212-L216 HydrophobicContact CZ-CD1 4.18Å; F212-W457 HydrophobicContact CD1-CH2 4.04Å; F212-W457 HydrophobicContact CE1-CH2 4.07Å; F212-F458 AromaticContact CE1-CE2 3.67Å; F212-F458 HydrophobicContact CE1-CE2 3.67Å; F212-F458 HydrophobicContact CE1-CZ 4.25Å; F212-F458 AromaticContact CZ-CE2 3.93Å; F212-F458 HydrophobicContact CZ-CE2 3.93Å; F212-F458 HydrophobicContact CZ-CZ 4.19Å; F212-F462 HydrophobicContact CD1-CE2 4.01Å; F212-F462 HydrophobicContact CD1-CZ 4.34Å; F212-F462 HydrophobicContact CE1-CD2 4.3Å; F212-F462 AromaticContact CE1-CE2 3.43Å; F212-F462 HydrophobicContact CE1-CE2 3.43Å; F212-F462 VanDerWaalsContact CE1-CE2 3.43Å; F212-F462 AromaticContact CE1-CZ 3.98Å; F212-F462 HydrophobicContact CE1-CZ 3.98Å; F212-F462 HydrophobicContact CZ-CE2 4.22Å; F212-L489 HydrophobicContact CE2-CD2 3.86Å; F212-L489 WeakPolarHBondContact CE2-O 3.31Å; F212-L489 HydrophobicContact CZ-CD2 3.53Å; F212-F492 HydrophobicContact CD2-CB 4.17Å; F212-F492 HydrophobicContact CE1-CD1 4.37Å; F212-F492 HydrophobicContact CE2-CB 3.33Å; F212-F492 HydrophobicContact CE2-CD1 4.24Å; F212-F492 HydrophobicContact CE2-CD2 4.23Å; F212-F492 AromaticContact CE2-CG 3.68Å; F212-F492 HydrophobicContact CE2-CG 3.68Å; F212-F492 HydrophobicContact CZ-CB 3.71Å; F212-F492 AromaticContact CZ-CD1 3.71Å; F212-F492 HydrophobicContact CZ-CD1 3.71Å; F212-F492 AromaticContact CZ-CD2 3.98Å; F212-F492 HydrophobicContact CZ-CD2 3.98Å; F212-F492 HydrophobicContact CZ-CE1 4.36Å; F212-F492 AromaticContact CZ-CG 3.5Å; F212-F492 HydrophobicContact CZ-CG 3.5Å
213K86.4Confident88Confident226 Ų22662 Ų6298%0.98331%0.311SS*.SBendtrans-64.4-29.7172.1-68.1-177.1179.6178.10112.1
214R87.4Confident89.5Confident94 Ų9455.4 Ų55.436%0.35528%0.275SS..SBendtrans-145.8152.3174.559.2171.3171.7177-14.3109.8F212 R376 D419F212-R214 WeakPolarHBondContact CB-O 3.41Å; F212-R214 PolarHBondContact O-N 2.66Å; R214-R376 PolarHBondContact NH1-O 2.72Å; R214-D419 IonicContact CZ-OD1 3.98Å; R214-D419 IonicContact CZ-OD2 3.4Å; R214-D419 IonicContact NE-OD1 3.69Å; R214-D419 PolarHBondContact NE-OD1 2.91Å; R214-D419 IonicContact NH1-OD1 2.72Å; R214-D419 IonicContact NH1-OD2 3.57Å; R214-D419 PolarHBondContact NH1-OD2 2.86Å; R214-D419 IonicContact NH2-OD1 3.7Å; R214-D419 PolarHBondContact NH2-OD1 3.35Å; R214-D419 IonicContact NH2-OD2 3.98Å; R214-D419 PolarHBondContact NH2-OD2 2.91Å
215P92.9Very high90.8Very high11 Ų1148.4 Ų48.47%0.07124%0.244CC..PPolyproline II helixtrans-61145.4173.1-13.226.1000111.5A206 V209 Y305 P379A206-P215 HydrophobicContact CB-CG 4.29Å; V209-P215 HydrophobicContact CG1-CB 4.13Å; V209-P215 HydrophobicContact CG1-CG 3.98Å; V209-P215 HydrophobicContact CG2-CB 3.98Å; V209-P215 HydrophobicContact CG2-CG 3.95Å; P215-Y305 HydrophobicContact CB-CE2 3.88Å; P215-Y305 WeakPolarHBondContact CB-OH 3.44Å; P215-Y305 HydrophobicContact CG-CE2 4.46Å; P215-P379 HydrophobicContact CB-CB 4.07Å; P215-P379 HydrophobicContact CB-CG 4.47Å; P215-P379 HydrophobicContact CG-CB 4.48Å; P215-P379 HydrophobicContact CG-CG 4.39Å
216L96.5Very high92.1Very high4 Ų437 Ų372%0.02120%0.201CC..PPolyproline II helixtrans-82.3152.1173.8-60.9-179.9000110.7F212 Y305 V421 P455 W457 F458 L489F212-L216 HydrophobicContact CD1-CD1 4.46Å; F212-L216 HydrophobicContact CD1-CG 4.47Å; F212-L216 HydrophobicContact CE1-CD1 3.98Å; F212-L216 HydrophobicContact CE1-CG 4.45Å; F212-L216 HydrophobicContact CZ-CD1 4.18Å; L216-Y305 VanDerWaalsContact O-CE1 3.29Å; L216-Y305 WeakPolarHBondContact O-CE1 3.48Å; L216-Y305 PolarHBondContact O-OH 3.43Å; L216-V421 HydrophobicContact CD1-CG2 3.93Å; L216-P455 HydrophobicContact CD1-CG 4.46Å; L216-W457 HydrophobicContact CD1-CH2 4.38Å; L216-W457 HydrophobicContact CD2-CH2 3.96Å; L216-W457 HydrophobicContact CD2-CZ2 3.61Å; L216-F458 HydrophobicContact CD1-CD2 4.17Å; L216-F458 HydrophobicContact CD1-CE2 3.71Å; L216-L489 HydrophobicContact CD1-CD2 4.2Å
217N98Very high93Very high4 Ų435.8 Ų35.82%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-72.3152.1166.4-50.6-49.1000110.2F371 P379 K380 D419 T420 V421N217-F371 HydrophobicContact CB-CE1 4.01Å; N217-F371 HydrophobicContact CB-CZ 4.3Å; N217-P379 WeakPolarHBondContact OD1-CA 3.45Å; N217-K380 CarbonylContact C-O 3.59Å; N217-K380 WeakPolarHBondContact CA-O 3.27Å; N217-K380 HydrophobicContact CB-CB 4.17Å; N217-K380 WeakPolarHBondContact CB-O 3.19Å; N217-K380 WeakPolarHBondContact OD1-CB 3.29Å; N217-K380 PolarHBondContact OD1-N 3.3Å; N217-D419 PolarHBondContact N-O 3Å; N217-D419 PolarHBondContact ND2-O 3.2Å; N217-T420 HydrophobicContact CB-CG2 4.01Å; N217-T420 WeakPolarHBondContact CB-OG1 3.49Å; N217-T420 PolarHBondContact ND2-OG1 3.17Å; N217-T420 WeakPolarHBondContact O-CA 3.49Å; N217-V421 PolarHBondContact O-N 3.33Å
218F98.6Very high93.7Very high1 Ų132.9 Ų32.90%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-117127.6168.2-58.5-76000108.4F220 L300 Y305 K380 F381 A382 V421 L486 L489F218-F220 HydrophobicContact CB-CE2 4.46Å; F218-L300 HydrophobicContact CD2-CD1 4.16Å; F218-L300 HydrophobicContact CD2-CD2 4.44Å; F218-L300 HydrophobicContact CE2-CD1 4.4Å; F218-L300 HydrophobicContact CE2-CD2 3.93Å; F218-Y305 HydrophobicContact CD2-CD1 4.47Å; F218-Y305 AromaticContact CD2-CE1 3.68Å; F218-Y305 HydrophobicContact CD2-CE1 3.68Å; F218-Y305 AromaticContact CE2-CE1 3.73Å; F218-Y305 HydrophobicContact CE2-CE1 3.73Å; F218-Y305 AromaticContact CE2-CZ 3.89Å; F218-Y305 WeakPolarHBondContact CE2-OH 3.26Å; F218-K380 PolarHBondContact N-O 3.01Å; F218-F381 HydrophobicContact CB-CD2 3.71Å; F218-F381 HydrophobicContact CB-CE2 4.31Å; F218-F381 HydrophobicContact CD2-CD2 4.18Å; F218-F381 HydrophobicContact CG-CD2 4.27Å; F218-F381 WeakPolarHBondContact O-CA 3.37Å; F218-A382 PolarHBondContact O-N 3.27Å; F218-V421 HydrophobicContact CD1-CB 4.46Å; F218-L486 HydrophobicContact CB-CD2 4.3Å; F218-L486 HydrophobicContact CD1-CD2 3.1Å; F218-L486 HydrophobicContact CE1-CB 4.4Å; F218-L486 HydrophobicContact CE1-CD2 3.32Å; F218-L486 HydrophobicContact CE1-CG 4.47Å; F218-L486 HydrophobicContact CG-CD2 3.76Å; F218-L486 HydrophobicContact CZ-CD2 4.18Å; F218-L489 HydrophobicContact CD1-CD1 4.37Å; F218-L489 HydrophobicContact CE1-CB 3.95Å; F218-L489 HydrophobicContact CE1-CD1 3.45Å; F218-L489 VanDerWaalsContact CE1-CD1 3.45Å; F218-L489 HydrophobicContact CE1-CG 4.32Å; F218-L489 HydrophobicContact CZ-CB 3.78Å; F218-L489 HydrophobicContact CZ-CD1 4.17Å
219Y98.9Very high94.4Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-128.2118.8171.2-178.3-158.2000109.8L221 V367 F371 A382 Q384 H407 F411 V421 L422 I423Y219-L221 HydrophobicContact CE1-CB 4.48Å; Y219-L221 HydrophobicContact CE2-CB 4.15Å; Y219-V367 HydrophobicContact CD2-CG1 4.14Å; Y219-V367 HydrophobicContact CE1-CG1 4.14Å; Y219-V367 HydrophobicContact CE2-CB 4.45Å; Y219-V367 HydrophobicContact CE2-CG1 3.68Å; Y219-V367 HydrophobicContact CE2-CG2 4.41Å; Y219-F371 HydrophobicContact CG-CE2 4.38Å; Y219-F371 HydrophobicContact CG-CZ 4.5Å; Y219-A382 CarbonylContact C-O 3.55Å; Y219-A382 WeakPolarHBondContact CA-O 3.37Å; Y219-A382 HydrophobicContact CD2-CB 3.74Å; Y219-A382 HydrophobicContact CE2-CB 4.36Å; Y219-A382 HydrophobicContact CG-CB 4.43Å; Y219-Q384 HydrophobicContact CE2-CB 4.23Å; Y219-Q384 PolarHBondContact OH-OE1 3.04Å; Y219-H407 AromaticContact CE1-NE2 3.39Å; Y219-H407 WeakPolarHBondContact CE1-NE2 3.43Å; Y219-H407 AromaticContact CZ-NE2 3.46Å; Y219-H407 PolarHBondContact OH-NE2 3.27Å; Y219-F411 HydrophobicContact CD1-CD1 4.31Å; Y219-F411 AromaticContact CD1-CE1 3.75Å; Y219-F411 HydrophobicContact CD1-CE1 3.75Å; Y219-F411 HydrophobicContact CD1-CE2 4.42Å; Y219-F411 AromaticContact CD1-CZ 3.83Å; Y219-F411 HydrophobicContact CD1-CZ 3.83Å; Y219-F411 HydrophobicContact CE1-CD2 4.42Å; Y219-F411 HydrophobicContact CE1-CE1 4.07Å; Y219-F411 AromaticContact CE1-CE2 3.89Å; Y219-F411 HydrophobicContact CE1-CE2 3.89Å; Y219-F411 AromaticContact CE1-CZ 3.69Å; Y219-F411 HydrophobicContact CE1-CZ 3.69Å; Y219-V421 PolarHBondContact N-O 3.47Å; Y219-L422 HydrophobicContact CD1-CD1 3.54Å; Y219-L422 HydrophobicContact CE1-CD1 4.06Å; Y219-L422 HydrophobicContact CG-CD1 3.86Å; Y219-L422 CarbonylContact O-C 3.47Å; Y219-L422 WeakPolarHBondContact O-CA 3.33Å; Y219-L422 WeakPolarHBondContact O-CD1 3.34Å; Y219-I423 PolarHBondContact O-N 2.9Å
220F98.9Very high94.8Very high1 Ų127.3 Ų27.30%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-103.4117.3169.9-72.4-100.7000109F218 I268 F381 A382 F383 Q384 I423 F425 L486F218-F220 HydrophobicContact CB-CE2 4.46Å; F220-I268 HydrophobicContact CD1-CG2 4.45Å; F220-I268 HydrophobicContact CE1-CG2 3.85Å; F220-I268 HydrophobicContact CZ-CG2 4.15Å; F220-F381 HydrophobicContact CD2-CE2 4.3Å; F220-F381 HydrophobicContact CE2-CE2 4.17Å; F220-A382 PolarHBondContact N-O 3.45Å; F220-F383 HydrophobicContact CB-CB 4.47Å; F220-F383 HydrophobicContact CB-CD2 3.45Å; F220-F383 VanDerWaalsContact CB-CD2 3.45Å; F220-F383 HydrophobicContact CB-CE2 3.62Å; F220-F383 HydrophobicContact CB-CG 3.97Å; F220-F383 HydrophobicContact CB-CZ 4.27Å; F220-F383 HydrophobicContact CD1-CD2 4.1Å; F220-F383 AromaticContact CD1-CE2 3.61Å; F220-F383 HydrophobicContact CD1-CE2 3.61Å; F220-F383 HydrophobicContact CD1-CZ 4.41Å; F220-F383 AromaticContact CD2-CD2 3.62Å; F220-F383 HydrophobicContact CD2-CD2 3.62Å; F220-F383 AromaticContact CD2-CE2 3.97Å; F220-F383 HydrophobicContact CD2-CE2 3.97Å; F220-F383 HydrophobicContact CE1-CE2 4.24Å; F220-F383 HydrophobicContact CE2-CD2 4.38Å; F220-F383 AromaticContact CG-CD2 3.46Å; F220-F383 HydrophobicContact CG-CD2 3.46Å; F220-F383 VanDerWaalsContact CG-CD2 3.46Å; F220-F383 AromaticContact CG-CE2 3.46Å; F220-F383 HydrophobicContact CG-CE2 3.46Å; F220-F383 VanDerWaalsContact CG-CE2 3.46Å; F220-F383 HydrophobicContact CG-CG 4.44Å; F220-F383 HydrophobicContact CG-CZ 4.42Å; F220-Q384 PolarHBondContact O-N 2.93Å; F220-I423 CarbonylContact C-O 3.37Å; F220-I423 WeakPolarHBondContact CA-O 3.47Å; F220-I423 HydrophobicContact CD1-CB 3.62Å; F220-I423 HydrophobicContact CD1-CG1 4.1Å; F220-I423 HydrophobicContact CD1-CG2 3.76Å; F220-I423 HydrophobicContact CE1-CB 3.73Å; F220-I423 HydrophobicContact CE1-CG1 3.72Å; F220-I423 HydrophobicContact CE1-CG2 3.81Å; F220-I423 HydrophobicContact CG-CB 4.2Å; F220-I423 HydrophobicContact CZ-CB 4.39Å; F220-I423 HydrophobicContact CZ-CG1 3.95Å; F220-F425 HydrophobicContact CB-CD1 4.28Å; F220-F425 HydrophobicContact CB-CE1 3.82Å; F220-F425 HydrophobicContact CD1-CD1 4.15Å; F220-F425 HydrophobicContact CD1-CE1 4.16Å; F220-L486 HydrophobicContact CE2-CD1 3.78Å; F220-L486 HydrophobicContact CE2-CD2 3.63Å; F220-L486 HydrophobicContact CE2-CG 4.19Å; F220-L486 HydrophobicContact CZ-CD1 3.68Å; F220-L486 HydrophobicContact CZ-CD2 3.69Å; F220-L486 HydrophobicContact CZ-CG 3.94Å
221L98.8Very high95.3Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-107.5104.6173.2173.856.6000108.8Y219 F223 L364 T404 L422 I423 V424 F425Y219-L221 HydrophobicContact CE1-CB 4.48Å; Y219-L221 HydrophobicContact CE2-CB 4.15Å; L221-F223 HydrophobicContact CD1-CE2 4.45Å; L221-F223 HydrophobicContact CD1-CZ 4.37Å; L221-F223 HydrophobicContact CG-CE2 4Å; L221-F223 HydrophobicContact CG-CZ 4.25Å; L221-L364 HydrophobicContact CD1-CD2 3.87Å; L221-T404 HydrophobicContact CD2-CG2 4.03Å; L221-L422 HydrophobicContact CB-CD1 4.32Å; L221-I423 PolarHBondContact N-O 3.44Å; L221-V424 HydrophobicContact CB-CG2 4.49Å; L221-V424 HydrophobicContact CD2-CG2 4.49Å; L221-V424 CarbonylContact O-C 3.55Å; L221-V424 WeakPolarHBondContact O-CA 3.04Å; L221-F425 WeakPolarHBondContact O-CD1 3.26Å; L221-F425 PolarHBondContact O-N 3.24Å
222G98.1Very high95.7Very high0 Ų022.2 Ų22.20%010%0.099CC..EExtended strand (participates in β ladder)trans-107.4150.6-169.100000114.6Q384 I385 H386 F425G222-Q384 WeakPolarHBondContact CA-O 3.35Å; G222-Q384 PolarHBondContact N-O 2.84Å; G222-I385 WeakPolarHBondContact O-CA 3.49Å; G222-H386 PolarHBondContact O-CD2 3.27Å; G222-H386 PolarHBondContact O-N 2.71Å; G222-F425 CarbonylContact C-O 3.59Å; G222-F425 WeakPolarHBondContact CA-O 3.4Å
223F97Very high96Very high8 Ų822.9 Ų22.94%0.03510%0.101CC..EExtended strand (participates in β ladder)trans-136.1123.1173.5-56.6-95.9000111.6L221 V226 F231 L235 Y360 H386 A400 T404 V424 F425 S426L221-F223 HydrophobicContact CD1-CE2 4.45Å; L221-F223 HydrophobicContact CD1-CZ 4.37Å; L221-F223 HydrophobicContact CG-CE2 4Å; L221-F223 HydrophobicContact CG-CZ 4.25Å; F223-V226 HydrophobicContact CB-CG2 3.99Å; F223-F231 HydrophobicContact CD2-CE2 4.1Å; F223-F231 HydrophobicContact CE2-CE2 4.13Å; F223-L235 HydrophobicContact CD1-CD2 4.44Å; F223-L235 HydrophobicContact CE1-CD2 3.97Å; F223-L235 HydrophobicContact CZ-CD2 4.04Å; F223-Y360 HydrophobicContact CE1-CE2 4.02Å; F223-Y360 AromaticContact CE1-CZ 4Å; F223-Y360 VanDerWaalsContact CE1-OH 3.24Å; F223-Y360 WeakPolarHBondContact CE1-OH 3.4Å; F223-Y360 WeakPolarHBondContact CZ-OH 3.34Å; F223-H386 HydrophobicContact CD1-CB 4.39Å; F223-A400 HydrophobicContact CE1-CB 4.11Å; F223-T404 HydrophobicContact CZ-CG2 4.06Å; F223-V424 HydrophobicContact CE2-CG1 3.95Å; F223-F425 PolarHBondContact N-O 2.97Å; F223-S426 WeakPolarHBondContact O-CA 3.38Å; F223-S426 WeakPolarHBondContact O-CB 3.45Å; F223-S426 PolarHBondContact O-OG 3.2Å
224D95Very high96.5Very high4 Ų412.7 Ų12.72%0.0216%0.057CC..THydrogen-bonded Turntrans-94.7126.3164.7170.5-11.6000109T261 I385 H386 V387 S390 H391 D427 H428D224-T261 PolarHBondContact OD2-OG1 3.48Å; D224-I385 HydrophobicContact CB-CD1 4.49Å; D224-H386 PolarHBondContact N-O 3.47Å; D224-V387 HydrophobicContact CB-CB 4.45Å; D224-V387 HydrophobicContact CB-CG1 4.4Å; D224-V387 HydrophobicContact CB-CG2 4.26Å; D224-S390 PolarHBondContact O-OG 2.68Å; D224-H391 IonicContact OD1-CD2 2.67Å; D224-H391 IonicContact OD2-CD2 3.15Å; D224-D427 WeakPolarHBondContact CA-OD1 3.41Å; D224-H428 IonicContact OD1-CE1 3.95Å
225S94.5Very high96.9Very high7 Ų78.3 Ų8.35%0.0494%0.04CC..THydrogen-bonded Turncis-133.288.5-4.229.90000110.9S390 H428 G429 S430S225-S390 PolarHBondContact N-OG 3.27Å; S225-H428 CarbonylContact C-O 3.49Å; S225-H428 WeakPolarHBondContact CA-O 3.37Å; S225-H428 WeakPolarHBondContact CB-CE1 3.32Å; S225-H428 WeakPolarHBondContact CB-ND1 3.26Å; S225-H428 VanDerWaalsContact CB-O 3.3Å; S225-H428 WeakPolarHBondContact CB-O 3.45Å; S225-G429 CarbonylContact O-C 3.55Å; S225-S430 PolarHBondContact O-N 3.06Å
226V96.3Very high97.2Very high4 Ų413.6 Ų13.62%0.0246%0.062CC..  trans-105.6116.6-168.6-165.50000111.1F223 F231 L235 S390 A397 S426 H428 F449F223-V226 HydrophobicContact CB-CG2 3.99Å; V226-F231 HydrophobicContact CG1-CB 3.75Å; V226-F231 HydrophobicContact CG1-CD2 4.08Å; V226-F231 HydrophobicContact CG1-CG 4.37Å; V226-F231 VanDerWaalsContact CG1-N 3.31Å; V226-L235 HydrophobicContact CG1-CD1 4.37Å; V226-S390 WeakPolarHBondContact CG2-OG 3.28Å; V226-A397 HydrophobicContact CG2-CB 4.37Å; V226-S426 WeakPolarHBondContact O-CB 3.32Å; V226-S426 PolarHBondContact O-OG 3.05Å; V226-H428 PolarHBondContact N-O 2.75Å; V226-F449 PolarHBondContact O-N 3.02Å
227S96.6Very high97.3Very high2 Ų217.5 Ų17.51%0.0148%0.08CC..BIsolated β-bridgetrans-65.5159.9171.273.40000110.8M229 S230 F231 E444S227-M229 PolarHBondContact O-N 3.07Å; S227-S230 PolarHBondContact O-N 2.98Å; S227-S230 VanDerWaalsContact OG-CB 3.27Å; S227-S230 WeakPolarHBondContact OG-CB 3.32Å; S227-S230 PolarHBondContact OG-N 3.09Å; S227-S230 PolarHBondContact OG-OG 2.8Å; S227-S230 VanDerWaalsContact OG-OG 3.14Å; S227-F231 WeakPolarHBondContact O-CB 3.32Å; S227-F231 PolarHBondContact O-N 3.46Å; S227-E444 WeakPolarHBondContact CB-O 3.23Å; S227-E444 PolarHBondContact OG-OE2 2.85Å
228R97Very high97.3Very high19 Ų1917.3 Ų17.37%0.0728%0.079CC..Hα-helixtrans-52.9-44.5172.1177.2175.4171.9-82.1-2.9111.4F231 M232 E252 N447 F449R228-F231 PolarHBondContact O-N 2.98Å; R228-M232 HydrophobicContact CG-SD 4.22Å; R228-M232 VanDerWaalsContact O-CG 3.28Å; R228-M232 WeakPolarHBondContact O-CG 3.18Å; R228-M232 PolarHBondContact O-N 3.11Å; R228-M232 VanDerWaalsContact O-N 3.09Å; R228-E252 IonicContact CZ-OE1 2.81Å; R228-E252 IonicContact NE-OE1 3.22Å; R228-E252 IonicContact NH2-OE1 3.74Å; R228-E252 PolarHBondContact NH2-OE1 3.33Å; R228-E252 IonicContact NH2-OE2 3.81Å; R228-N447 PolarHBondContact N-O 3.18Å; R228-F449 HydrophobicContact CG-CD2 4.38Å
229M96.3Very high97.3Very high8 Ų819.4 Ų19.44%0.0399%0.088CC..Hα-helixtrans-66.9-45179-68.5-71.1111.400112.3Q97 I99 S227 F231 M232 R233 E444Q97-M229 HydrophobicContact CB-CE 4.32Å; Q97-M229 HydrophobicContact CB-CG 3.85Å; Q97-M229 HydrophobicContact CB-SD 3.92Å; I99-M229 HydrophobicContact CB-SD 4.26Å; S227-M229 PolarHBondContact O-N 3.07Å; M229-F231 VanDerWaalsContact C-N 3.29Å; M229-F231 PolarHBondContact O-N 3.11Å; M229-M232 HydrophobicContact CE-SD 3.93Å; M229-M232 PolarHBondContact O-N 2.82Å; M229-R233 VanDerWaalsContact CB-NH1 3.29Å; M229-R233 WeakPolarHBondContact O-CG 3.47Å; M229-R233 PolarHBondContact O-N 3.19Å; M229-E444 VanDerWaalsContact CB-CD 3.44Å; M229-E444 HydrophobicContact CB-CG 4.07Å; M229-E444 WeakPolarHBondContact CB-OE1 3.05Å; M229-E444 HydrophobicContact CG-CG 4.08Å
230S96Very high97.3Very high8 Ų823.9 Ų23.96%0.05611%0.107CC..Hα-helixtrans-64.8-34.9176.8-70.70000111.9S227 R233 K234 E444S227-S230 PolarHBondContact O-N 2.98Å; S227-S230 VanDerWaalsContact OG-CB 3.27Å; S227-S230 WeakPolarHBondContact OG-CB 3.32Å; S227-S230 PolarHBondContact OG-N 3.09Å; S227-S230 PolarHBondContact OG-OG 2.8Å; S227-S230 VanDerWaalsContact OG-OG 3.14Å; S230-R233 PolarHBondContact O-N 2.95Å; S230-K234 VanDerWaalsContact O-CB 3.31Å; S230-K234 WeakPolarHBondContact O-CB 3.48Å; S230-K234 PolarHBondContact O-N 2.98Å; S230-E444 PolarHBondContact OG-OE2 3.23Å
231F97.9Very high97.3Very high0 Ų025.1 Ų25.10%011%0.112CC..Hα-helixtrans-61.5-47.3173.9-162.4-76.5000110.1F223 V226 S227 R228 M229 R233 K234 L235 T238 Y239 I242 V424 F449F223-F231 HydrophobicContact CD2-CE2 4.1Å; F223-F231 HydrophobicContact CE2-CE2 4.13Å; V226-F231 HydrophobicContact CG1-CB 3.75Å; V226-F231 HydrophobicContact CG1-CD2 4.08Å; V226-F231 HydrophobicContact CG1-CG 4.37Å; V226-F231 VanDerWaalsContact CG1-N 3.31Å; S227-F231 WeakPolarHBondContact O-CB 3.32Å; S227-F231 PolarHBondContact O-N 3.46Å; R228-F231 PolarHBondContact O-N 2.98Å; M229-F231 VanDerWaalsContact C-N 3.29Å; M229-F231 PolarHBondContact O-N 3.11Å; F231-R233 VanDerWaalsContact C-N 3.26Å; F231-R233 PolarHBondContact O-N 3.28Å; F231-K234 PolarHBondContact O-N 3.4Å; F231-L235 HydrophobicContact CD1-CB 3.98Å; F231-L235 HydrophobicContact CD2-CB 4.44Å; F231-L235 HydrophobicContact CD2-CD1 4.34Å; F231-L235 HydrophobicContact CD2-CD2 4.34Å; F231-L235 HydrophobicContact CE1-CB 3.85Å; F231-L235 HydrophobicContact CE2-CB 4.34Å; F231-L235 HydrophobicContact CE2-CD2 3.8Å; F231-L235 HydrophobicContact CE2-CG 4.49Å; F231-L235 HydrophobicContact CG-CB 4.27Å; F231-L235 HydrophobicContact CZ-CB 4.04Å; F231-L235 HydrophobicContact CZ-CD2 3.95Å; F231-L235 CarbonylContact O-C 3.51Å; F231-L235 VanDerWaalsContact O-C 3.31Å; F231-L235 WeakPolarHBondContact O-CA 3.36Å; F231-L235 PolarHBondContact O-N 2.89Å; F231-T238 HydrophobicContact CE1-CG2 4.01Å; F231-T238 HydrophobicContact CZ-CG2 3.75Å; F231-Y239 HydrophobicContact CD1-CD2 4.22Å; F231-I242 HydrophobicContact CE1-CD1 4.36Å; F231-I242 HydrophobicContact CZ-CD1 4.26Å; F231-V424 HydrophobicContact CE2-CG1 4.4Å; F231-V424 HydrophobicContact CZ-CG1 4.18Å; F231-F449 HydrophobicContact CB-CB 3.63Å; F231-F449 HydrophobicContact CB-CD2 4Å; F231-F449 HydrophobicContact CB-CG 3.82Å; F231-F449 HydrophobicContact CD1-CB 4.5Å; F231-F449 AromaticContact CD1-CD1 3.96Å; F231-F449 HydrophobicContact CD1-CD1 3.96Å; F231-F449 AromaticContact CD1-CD2 3.79Å; F231-F449 HydrophobicContact CD1-CD2 3.79Å; F231-F449 HydrophobicContact CD1-CE1 4.09Å; F231-F449 AromaticContact CD1-CE2 3.95Å; F231-F449 HydrophobicContact CD1-CE2 3.95Å; F231-F449 AromaticContact CD1-CG 3.8Å; F231-F449 HydrophobicContact CD1-CG 3.8Å; F231-F449 HydrophobicContact CD1-CZ 4.08Å; F231-F449 HydrophobicContact CD2-CB 3.65Å; F231-F449 AromaticContact CD2-CD1 3.55Å; F231-F449 HydrophobicContact CD2-CD1 3.55Å; F231-F449 HydrophobicContact CD2-CD2 4.39Å; F231-F449 HydrophobicContact CD2-CE1 4.31Å; F231-F449 AromaticContact CD2-CG 3.59Å; F231-F449 HydrophobicContact CD2-CG 3.59Å; F231-F449 AromaticContact CE1-CD1 3.93Å; F231-F449 HydrophobicContact CE1-CD1 3.93Å; F231-F449 HydrophobicContact CE1-CD2 4.38Å; F231-F449 AromaticContact CE1-CE1 3.71Å; F231-F449 HydrophobicContact CE1-CE1 3.71Å; F231-F449 HydrophobicContact CE1-CE2 4.21Å; F231-F449 HydrophobicContact CE1-CG 4.25Å; F231-F449 AromaticContact CE1-CZ 3.86Å; F231-F449 HydrophobicContact CE1-CZ 3.86Å; F231-F449 HydrophobicContact CE2-CB 4.44Å; F231-F449 AromaticContact CE2-CD1 3.5Å; F231-F449 HydrophobicContact CE2-CD1 3.5Å; F231-F449 AromaticContact CE2-CE1 3.94Å; F231-F449 HydrophobicContact CE2-CE1 3.94Å; F231-F449 HydrophobicContact CE2-CG 4.05Å; F231-F449 HydrophobicContact CG-CB 3.68Å; F231-F449 AromaticContact CG-CD1 3.78Å; F231-F449 HydrophobicContact CG-CD1 3.78Å; F231-F449 AromaticContact CG-CD2 3.8Å; F231-F449 HydrophobicContact CG-CD2 3.8Å; F231-F449 HydrophobicContact CG-CE1 4.37Å; F231-F449 HydrophobicContact CG-CE2 4.42Å; F231-F449 AromaticContact CG-CG 3.45Å; F231-F449 HydrophobicContact CG-CG 3.45Å; F231-F449 VanDerWaalsContact CG-CG 3.45Å; F231-F449 AromaticContact CZ-CD1 3.7Å; F231-F449 HydrophobicContact CZ-CD1 3.7Å; F231-F449 AromaticContact CZ-CE1 3.63Å; F231-F449 HydrophobicContact CZ-CE1 3.63Å; F231-F449 HydrophobicContact CZ-CG 4.36Å; F231-F449 HydrophobicContact CZ-CZ 4.25Å
232M97.8Very high97.3Very high43 Ų4325.1 Ų25.121%0.21211%0.112CC..Hα-helixtrans-63.2-29.6175.4-66171.171.900113.3I99 R228 M229 Y239I99-M232 HydrophobicContact CD1-CB 4.04Å; I99-M232 HydrophobicContact CD1-CE 4.25Å; R228-M232 HydrophobicContact CG-SD 4.22Å; R228-M232 VanDerWaalsContact O-CG 3.28Å; R228-M232 WeakPolarHBondContact O-CG 3.18Å; R228-M232 PolarHBondContact O-N 3.11Å; R228-M232 VanDerWaalsContact O-N 3.09Å; M229-M232 HydrophobicContact CE-SD 3.93Å; M229-M232 PolarHBondContact O-N 2.82Å; M232-Y239 HydrophobicContact CE-CE1 4.3Å; M232-Y239 HydrophobicContact CG-CD1 4.46Å; M232-Y239 HydrophobicContact CG-CD2 3.66Å; M232-Y239 HydrophobicContact CG-CE1 4.42Å; M232-Y239 HydrophobicContact CG-CE2 3.57Å; M232-Y239 HydrophobicContact CG-CG 4.12Å; M232-Y239 HydrophobicContact SD-CE2 4.11Å
233R96.9Very high97.3Very high36 Ų3626.9 Ų26.914%0.13612%0.122CC..Hα-helixtrans-79.7-39.2177-69.5176.3-162.4110.51.6113.3N98 I99 M229 S230 F231 E444N98-R233 PolarHBondContact O-NH2 3.12Å; I99-R233 HydrophobicContact CG1-CG 4.05Å; I99-R233 PolarHBondContact O-NE 3Å; I99-R233 PolarHBondContact O-NH2 3.27Å; M229-R233 VanDerWaalsContact CB-NH1 3.29Å; M229-R233 WeakPolarHBondContact O-CG 3.47Å; M229-R233 PolarHBondContact O-N 3.19Å; S230-R233 PolarHBondContact O-N 2.95Å; F231-R233 VanDerWaalsContact C-N 3.26Å; F231-R233 PolarHBondContact O-N 3.28Å; R233-E444 IonicContact CZ-OE1 2.72Å; R233-E444 IonicContact NH1-OE1 3.46Å; R233-E444 PolarHBondContact NH1-OE1 3.47Å; R233-E444 IonicContact NH1-OE2 3.38Å; R233-E444 PolarHBondContact NH1-OE2 2.9Å; R233-E444 IonicContact NH2-OE1 3.02Å; R233-E444 PolarHBondContact NH2-OE1 3.24Å
234K96.6Very high97.4Very high13 Ų1332 Ų326%0.05715%0.147CC..Hα-helixtrans-109.8-30.8-165.6-66.2-67.3-179.4177.20113.9H109 S230 F231 N395 A397 E398H109-K234 PolarHBondContact O-NZ 3.19Å; S230-K234 VanDerWaalsContact O-CB 3.31Å; S230-K234 WeakPolarHBondContact O-CB 3.48Å; S230-K234 PolarHBondContact O-N 2.98Å; F231-K234 PolarHBondContact O-N 3.4Å; K234-N395 WeakPolarHBondContact CE-OD1 3.16Å; K234-N395 PolarHBondContact NZ-OD1 2.89Å; K234-N395 VanDerWaalsContact NZ-OD1 3.12Å; K234-A397 HydrophobicContact CB-CB 3.97Å; K234-A397 HydrophobicContact CG-CB 4.49Å; K234-E398 HydrophobicContact CB-CB 4.33Å; K234-E398 HydrophobicContact CD-CB 4.01Å; K234-E398 WeakPolarHBondContact CD-OE2 3.33Å; K234-E398 IonicContact NZ-OE2 3.05Å; K234-E398 PolarHBondContact NZ-OE2 3.44Å; K234-E398 VanDerWaalsContact O-CA 3.23Å; K234-E398 WeakPolarHBondContact O-CA 3.39Å; K234-E398 WeakPolarHBondContact O-CB 3.46Å
235L97.5Very high97.6Very high1 Ų137 Ų371%0.00517%0.17CC..SBendtrans-112.355.7174.9-69.188.1000109.3F223 V226 F231 Y239 A397 A400 D401F223-L235 HydrophobicContact CD1-CD2 4.44Å; F223-L235 HydrophobicContact CE1-CD2 3.97Å; F223-L235 HydrophobicContact CZ-CD2 4.04Å; V226-L235 HydrophobicContact CG1-CD1 4.37Å; F231-L235 HydrophobicContact CD1-CB 3.98Å; F231-L235 HydrophobicContact CD2-CB 4.44Å; F231-L235 HydrophobicContact CD2-CD1 4.34Å; F231-L235 HydrophobicContact CD2-CD2 4.34Å; F231-L235 HydrophobicContact CE1-CB 3.85Å; F231-L235 HydrophobicContact CE2-CB 4.34Å; F231-L235 HydrophobicContact CE2-CD2 3.8Å; F231-L235 HydrophobicContact CE2-CG 4.49Å; F231-L235 HydrophobicContact CG-CB 4.27Å; F231-L235 HydrophobicContact CZ-CB 4.04Å; F231-L235 HydrophobicContact CZ-CD2 3.95Å; F231-L235 CarbonylContact O-C 3.51Å; F231-L235 VanDerWaalsContact O-C 3.31Å; F231-L235 WeakPolarHBondContact O-CA 3.36Å; F231-L235 PolarHBondContact O-N 2.89Å; L235-Y239 WeakPolarHBondContact O-CB 3.23Å; L235-Y239 PolarHBondContact O-N 3Å; L235-A397 HydrophobicContact CD1-CB 3.82Å; L235-A397 WeakPolarHBondContact CD1-O 3.37Å; L235-A400 HydrophobicContact CD2-CB 4.31Å; L235-D401 VanDerWaalsContact CA-CG 3.45Å; L235-D401 VanDerWaalsContact CA-OD1 3.31Å; L235-D401 WeakPolarHBondContact CA-OD1 3.33Å
236K97.7Very high97.8Very high122 Ų12237.6 Ų37.653%0.5317%0.172SC..Hα-helixtrans-69.3-41.4-169.459.6171.4-175.1155.90112Y239 K240 D401K236-Y239 PolarHBondContact O-N 3.18Å; K236-K240 WeakPolarHBondContact O-CB 3.38Å; K236-K240 PolarHBondContact O-N 3.13Å; K236-D401 WeakPolarHBondContact CG-OD2 3.26Å; K236-D401 PolarHBondContact N-OD1 3.09Å; K236-D401 PolarHBondContact N-OD2 3.34Å
237E98.6Very high97.8Very high87 Ų8743.8 Ų43.841%0.40721%0.205SC..Hα-helixtrans-74.5-36.2-178.2-57.5-52.3141.900109.4K240 Y241 D401 V405E237-K240 PolarHBondContact O-N 3.16Å; E237-Y241 VanDerWaalsContact O-CB 3.3Å; E237-Y241 WeakPolarHBondContact O-CB 3.34Å; E237-Y241 PolarHBondContact O-N 2.76Å; E237-D401 PolarHBondContact N-OD1 2.93Å; E237-D401 PolarHBondContact N-OD2 2.83Å; E237-V405 HydrophobicContact CB-CG2 3.91Å
238T98.7Very high97.9Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-61.2-49171.1-56.70000111.2F231 K240 Y241 I242 D401 T404 L408F231-T238 HydrophobicContact CE1-CG2 4.01Å; F231-T238 HydrophobicContact CZ-CG2 3.75Å; T238-K240 VanDerWaalsContact C-N 3.32Å; T238-K240 PolarHBondContact O-N 3.39Å; T238-Y241 PolarHBondContact O-N 2.92Å; T238-I242 HydrophobicContact CG2-CD1 3.78Å; T238-I242 HydrophobicContact CG2-CG1 4.44Å; T238-I242 WeakPolarHBondContact O-CB 3.35Å; T238-I242 VanDerWaalsContact O-CG1 3.26Å; T238-I242 WeakPolarHBondContact O-CG1 3.2Å; T238-I242 PolarHBondContact O-N 3.44Å; T238-D401 VanDerWaalsContact CB-OD1 3.28Å; T238-D401 WeakPolarHBondContact CB-OD1 3.47Å; T238-D401 PolarHBondContact N-OD1 3.31Å; T238-D401 PolarHBondContact OG1-O 3.08Å; T238-D401 VanDerWaalsContact OG1-O 3.09Å; T238-D401 PolarHBondContact OG1-OD1 2.9Å; T238-T404 HydrophobicContact CG2-CG2 3.48Å; T238-T404 VanDerWaalsContact CG2-CG2 3.48Å; T238-L408 HydrophobicContact CG2-CD1 4.16Å
239Y98.8Very high98Very high45 Ų4544.4 Ų44.418%0.17621%0.213CC..Hα-helixtrans-58.6-46.1177.4179.9-89.6000111.2F231 M232 L235 K236 I242 T243 V250 F449F231-Y239 HydrophobicContact CD1-CD2 4.22Å; M232-Y239 HydrophobicContact CE-CE1 4.3Å; M232-Y239 HydrophobicContact CG-CD1 4.46Å; M232-Y239 HydrophobicContact CG-CD2 3.66Å; M232-Y239 HydrophobicContact CG-CE1 4.42Å; M232-Y239 HydrophobicContact CG-CE2 3.57Å; M232-Y239 HydrophobicContact CG-CG 4.12Å; M232-Y239 HydrophobicContact SD-CE2 4.11Å; L235-Y239 WeakPolarHBondContact O-CB 3.23Å; L235-Y239 PolarHBondContact O-N 3Å; K236-Y239 PolarHBondContact O-N 3.18Å; Y239-I242 PolarHBondContact O-N 3.44Å; Y239-T243 HydrophobicContact CD1-CG2 4.44Å; Y239-T243 HydrophobicContact CE1-CG2 4.03Å; Y239-T243 HydrophobicContact CE2-CG2 4.23Å; Y239-T243 WeakPolarHBondContact O-CB 3.17Å; Y239-T243 WeakPolarHBondContact O-CG2 3.39Å; Y239-T243 PolarHBondContact O-N 3.27Å; Y239-T243 PolarHBondContact O-OG1 3.46Å; Y239-V250 HydrophobicContact CE2-CG2 4.02Å; Y239-F449 HydrophobicContact CD2-CD2 4.31Å; Y239-F449 AromaticContact CD2-CE2 3.53Å; Y239-F449 HydrophobicContact CD2-CE2 3.53Å; Y239-F449 HydrophobicContact CD2-CZ 4.16Å; Y239-F449 HydrophobicContact CE2-CD2 4.48Å; Y239-F449 AromaticContact CE2-CE2 3.71Å; Y239-F449 HydrophobicContact CE2-CE2 3.71Å
240K98.7Very high98.1Very high94 Ų9444.6 Ų44.641%0.40921%0.214SC..Hα-helixtrans-59.7-49.3176.3-172.2-174.6178.3-172.80111.2K236 E237 T238 I242 T243 E244K236-K240 WeakPolarHBondContact O-CB 3.38Å; K236-K240 PolarHBondContact O-N 3.13Å; E237-K240 PolarHBondContact O-N 3.16Å; T238-K240 VanDerWaalsContact C-N 3.32Å; T238-K240 PolarHBondContact O-N 3.39Å; K240-I242 PolarHBondContact O-N 3.28Å; K240-T243 PolarHBondContact O-N 2.81Å; K240-T243 PolarHBondContact O-OG1 2.61Å; K240-E244 WeakPolarHBondContact CE-OE2 3.28Å; K240-E244 VanDerWaalsContact CG-CD 3.5Å; K240-E244 HydrophobicContact CG-CG 4.18Å; K240-E244 WeakPolarHBondContact CG-OE2 3.34Å; K240-E244 IonicContact NZ-OE2 3.47Å; K240-E244 WeakPolarHBondContact O-CB 3.28Å; K240-E244 PolarHBondContact O-N 3.36Å
241Y98.8Very high98.3Very high26 Ų2644.3 Ų44.310%0.10221%0.212CC..Iπ-helixtrans-60.2-44.8179.6-162.9-93.1000112.1E237 T238 T243 E245 L246 V405 L408 K409 Q412E237-Y241 VanDerWaalsContact O-CB 3.3Å; E237-Y241 WeakPolarHBondContact O-CB 3.34Å; E237-Y241 PolarHBondContact O-N 2.76Å; T238-Y241 PolarHBondContact O-N 2.92Å; Y241-T243 VanDerWaalsContact C-N 3.34Å; Y241-T243 PolarHBondContact O-N 2.89Å; Y241-E245 HydrophobicContact CD1-CB 4.46Å; Y241-E245 HydrophobicContact CD2-CB 3.97Å; Y241-E245 HydrophobicContact CD2-CG 3.7Å; Y241-E245 HydrophobicContact CE1-CB 4.46Å; Y241-E245 HydrophobicContact CE2-CB 3.98Å; Y241-E245 HydrophobicContact CE2-CG 3.91Å; Y241-E245 HydrophobicContact CG-CB 4.22Å; Y241-E245 HydrophobicContact CG-CG 4.3Å; Y241-E245 WeakPolarHBondContact O-CB 3.46Å; Y241-E245 PolarHBondContact O-N 2.94Å; Y241-E245 VanDerWaalsContact O-N 3.1Å; Y241-L246 HydrophobicContact CD1-CD1 3.85Å; Y241-L246 HydrophobicContact CD1-CG 3.84Å; Y241-L246 HydrophobicContact CE1-CD1 3.85Å; Y241-L246 HydrophobicContact CE1-CD2 3.88Å; Y241-L246 HydrophobicContact CE1-CG 3.7Å; Y241-L246 PolarHBondContact O-N 3.1Å; Y241-V405 HydrophobicContact CD2-CG1 4.25Å; Y241-V405 HydrophobicContact CG-CG1 4.49Å; Y241-L408 HydrophobicContact CD1-CB 3.76Å; Y241-L408 HydrophobicContact CD1-CD1 4.01Å; Y241-L408 HydrophobicContact CE1-CB 3.73Å; Y241-K409 HydrophobicContact CE1-CG 4.34Å; Y241-K409 HydrophobicContact CE2-CD 4.38Å; Y241-K409 HydrophobicContact CE2-CG 3.71Å; Y241-K409 VanDerWaalsContact CZ-CG 3.5Å; Y241-K409 WeakPolarHBondContact OH-CG 3.41Å; Y241-Q412 PolarHBondContact OH-OE1 3.37Å
242I98.8Very high98.2Very high0 Ų046.2 Ų46.20%022%0.221CC..Iπ-helixtrans-58.4-47.2176.1-72.4167.5000110.9F231 T238 Y239 K240 N247 G248 L408 V424 F449 I453F231-I242 HydrophobicContact CE1-CD1 4.36Å; F231-I242 HydrophobicContact CZ-CD1 4.26Å; T238-I242 HydrophobicContact CG2-CD1 3.78Å; T238-I242 HydrophobicContact CG2-CG1 4.44Å; T238-I242 WeakPolarHBondContact O-CB 3.35Å; T238-I242 VanDerWaalsContact O-CG1 3.26Å; T238-I242 WeakPolarHBondContact O-CG1 3.2Å; T238-I242 PolarHBondContact O-N 3.44Å; Y239-I242 PolarHBondContact O-N 3.44Å; K240-I242 PolarHBondContact O-N 3.28Å; I242-N247 PolarHBondContact O-N 3.11Å; I242-G248 WeakPolarHBondContact O-CA 3.24Å; I242-G248 PolarHBondContact O-N 3.26Å; I242-L408 HydrophobicContact CD1-CD1 4.32Å; I242-L408 HydrophobicContact CG1-CD1 3.79Å; I242-V424 HydrophobicContact CD1-CB 3.97Å; I242-V424 HydrophobicContact CD1-CG1 3.89Å; I242-V424 HydrophobicContact CD1-CG2 3.93Å; I242-V424 HydrophobicContact CG1-CG2 4.49Å; I242-F449 HydrophobicContact CD1-CE1 4.08Å; I242-F449 HydrophobicContact CD1-CZ 4.15Å; I242-I453 HydrophobicContact CG2-CD1 4.18Å; I242-I453 HydrophobicContact CG2-CG1 4.46Å
243T98.6Very high98.2Very high37 Ų3744.9 Ų44.923%0.22721%0.214CC..Iπ-helixtrans-85.2-37.4-169.551.40000113.9Y239 K240 Y241 V250Y239-T243 HydrophobicContact CD1-CG2 4.44Å; Y239-T243 HydrophobicContact CE1-CG2 4.03Å; Y239-T243 HydrophobicContact CE2-CG2 4.23Å; Y239-T243 WeakPolarHBondContact O-CB 3.17Å; Y239-T243 WeakPolarHBondContact O-CG2 3.39Å; Y239-T243 PolarHBondContact O-N 3.27Å; Y239-T243 PolarHBondContact O-OG1 3.46Å; K240-T243 PolarHBondContact O-N 2.81Å; K240-T243 PolarHBondContact O-OG1 2.61Å; Y241-T243 VanDerWaalsContact C-N 3.34Å; Y241-T243 PolarHBondContact O-N 2.89Å; T243-V250 HydrophobicContact CG2-CG2 3.7Å
244E98.6Very high98.2Very high116 Ų11643.2 Ų43.254%0.54221%0.208SC..Iπ-helixtrans-97.7-38.7-174-61.1-179.2-166.700112.7K240K240-E244 WeakPolarHBondContact CE-OE2 3.28Å; K240-E244 VanDerWaalsContact CG-CD 3.5Å; K240-E244 HydrophobicContact CG-CG 4.18Å; K240-E244 WeakPolarHBondContact CG-OE2 3.34Å; K240-E244 IonicContact NZ-OE2 3.47Å; K240-E244 WeakPolarHBondContact O-CB 3.28Å; K240-E244 PolarHBondContact O-N 3.36Å
245E98.3Very high98.3Very high110 Ų11042.6 Ų42.651%0.51421%0.206SC..Iπ-helixtrans-93.2-40.5-176.3-57.5-63.9154.900112Y241Y241-E245 HydrophobicContact CD1-CB 4.46Å; Y241-E245 HydrophobicContact CD2-CB 3.97Å; Y241-E245 HydrophobicContact CD2-CG 3.7Å; Y241-E245 HydrophobicContact CE1-CB 4.46Å; Y241-E245 HydrophobicContact CE2-CB 3.98Å; Y241-E245 HydrophobicContact CE2-CG 3.91Å; Y241-E245 HydrophobicContact CG-CB 4.22Å; Y241-E245 HydrophobicContact CG-CG 4.3Å; Y241-E245 WeakPolarHBondContact O-CB 3.46Å; Y241-E245 PolarHBondContact O-N 2.94Å; Y241-E245 VanDerWaalsContact O-N 3.1Å
246L98.5Very high98.3Very high18 Ų1842.8 Ų42.89%0.09421%0.207CC..SBendtrans-96.1-1.9-177.7-60.5-175.6000114.2Y241 G248 L408 Q412 L417 I453Y241-L246 HydrophobicContact CD1-CD1 3.85Å; Y241-L246 HydrophobicContact CD1-CG 3.84Å; Y241-L246 HydrophobicContact CE1-CD1 3.85Å; Y241-L246 HydrophobicContact CE1-CD2 3.88Å; Y241-L246 HydrophobicContact CE1-CG 3.7Å; Y241-L246 PolarHBondContact O-N 3.1Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-G248 VanDerWaalsContact O-N 3.17Å; L246-L408 HydrophobicContact CD1-CB 4.31Å; L246-L408 HydrophobicContact CD1-CD1 4.39Å; L246-L408 HydrophobicContact CD1-CD2 4.28Å; L246-Q412 HydrophobicContact CD2-CB 4.38Å; L246-Q412 HydrophobicContact CD2-CG 4.41Å; L246-L417 HydrophobicContact CD1-CD1 4.18Å; L246-L417 HydrophobicContact CD2-CD1 3.55Å; L246-L417 HydrophobicContact CG-CD1 4.49Å; L246-I453 HydrophobicContact CB-CG1 4.22Å; L246-I453 HydrophobicContact CB-CG2 4.04Å
247N98Very high98.3Very high135 Ų13537.5 Ų37.572%0.72219%0.185SC*.  trans51.234.8-175.4-64.2-49000113.5I242I242-N247 PolarHBondContact O-N 3.11Å
248G98.6Very high98.2Very high8 Ų834 Ų348%0.08217%0.172CC..  trans-67.3131.2179.800000112I242 L246 I452I242-G248 WeakPolarHBondContact O-CA 3.24Å; I242-G248 PolarHBondContact O-N 3.26Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-G248 VanDerWaalsContact O-N 3.17Å; G248-I452 WeakPolarHBondContact CA-O 3.34Å
249T98.8Very high98Very high25 Ų2538 Ų3815%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-85.8115.2174.3-62.10000109.8S451 I452 V469T249-S451 CarbonylContact O-C 3.56Å; T249-S451 WeakPolarHBondContact O-CA 3.44Å; T249-I452 PolarHBondContact N-O 2.82Å; T249-I452 PolarHBondContact O-N 2.95Å; T249-V469 HydrophobicContact CG2-CG1 4.14Å
250V98.7Very high97.8Very high12 Ų1236 Ų367%0.07319%0.186CC..EExtended strand (participates in β ladder)trans-77.1131.2172.7-176.70000109.8Y239 T243 E252 F449 G473Y239-V250 HydrophobicContact CE2-CG2 4.02Å; T243-V250 HydrophobicContact CG2-CG2 3.7Å; V250-E252 HydrophobicContact CB-CG 4.3Å; V250-E252 HydrophobicContact CG1-CG 4.12Å; V250-E252 PolarHBondContact O-N 2.65Å; V250-F449 HydrophobicContact CG1-CD2 4.39Å; V250-F449 HydrophobicContact CG1-CE2 3.97Å; V250-F449 HydrophobicContact CG2-CE2 4Å; V250-F449 HydrophobicContact CG2-CZ 4.31Å; V250-G473 VanDerWaalsContact O-CA 3.27Å; V250-G473 WeakPolarHBondContact O-CA 3.44Å
251L98.5Very high97.7Very high2 Ų232.1 Ų32.11%0.0117%0.17CC..  trans-85.581.8173.3-54.4-175000109.3M253 Y254 V450 L482 L507L251-M253 PolarHBondContact O-N 3.42Å; L251-Y254 HydrophobicContact CB-CD2 4.4Å; L251-Y254 HydrophobicContact CD1-CD2 3.92Å; L251-Y254 VanDerWaalsContact O-CB 3.27Å; L251-Y254 WeakPolarHBondContact O-CB 3.01Å; L251-Y254 PolarHBondContact O-N 3.36Å; L251-Y254 VanDerWaalsContact O-N 3.07Å; L251-V450 HydrophobicContact CB-CB 4.27Å; L251-V450 HydrophobicContact CD1-CB 4.26Å; L251-V450 HydrophobicContact CD1-CG1 3.75Å; L251-V450 HydrophobicContact CG-CB 4.46Å; L251-V450 HydrophobicContact CG-CG1 4.28Å; L251-V450 PolarHBondContact N-O 3.12Å; L251-L482 HydrophobicContact CD1-CD2 4.15Å; L251-L507 HydrophobicContact CD1-CD1 3.92Å; L251-L507 HydrophobicContact CD1-CD2 4.25Å; L251-L507 HydrophobicContact CD2-CD1 4.3Å; L251-L507 HydrophobicContact CD2-CD2 4.17Å
252E97Very high97.6Very high41 Ų4131.5 Ų31.519%0.19217%0.17CC..THydrogen-bonded Turntrans-68.3-20.2-168.2-49.2-157.8130.600114R94 R228 V250 G473 N474R94-E252 IonicContact CZ-OE2 3.43Å; R94-E252 IonicContact NH1-OE2 2.63Å; R94-E252 PolarHBondContact NH1-OE2 3.02Å; R94-E252 IonicContact NH2-OE1 2.7Å; R94-E252 IonicContact NH2-OE2 3.77Å; R94-E252 PolarHBondContact NH2-OE2 2.85Å; R228-E252 IonicContact CZ-OE1 2.81Å; R228-E252 IonicContact NE-OE1 3.22Å; R228-E252 IonicContact NH2-OE1 3.74Å; R228-E252 PolarHBondContact NH2-OE1 3.33Å; R228-E252 IonicContact NH2-OE2 3.81Å; V250-E252 HydrophobicContact CB-CG 4.3Å; V250-E252 HydrophobicContact CG1-CG 4.12Å; V250-E252 PolarHBondContact O-N 2.65Å; E252-G473 PolarHBondContact N-O 3.26Å; E252-N474 PolarHBondContact OE2-OD1 3.14Å
253M96.9Very high97.5Very high14 Ų1432.6 Ų32.67%0.06918%0.178CC..THydrogen-bonded Turntrans-110.422177.2-66.1179.464.900112C92 R94 L251 N255 N474 R475C92-M253 HydrophobicContact CB-CE 3.96Å; C92-M253 WeakPolarHBondContact O-CE 3.46Å; C92-M253 VanDerWaalsContact SG-CE 3.55Å; R94-M253 HydrophobicContact CB-CE 4.13Å; R94-M253 HydrophobicContact CB-CG 4.18Å; R94-M253 HydrophobicContact CB-SD 3.91Å; R94-M253 HydrophobicContact CG-CG 3.95Å; R94-M253 HydrophobicContact CG-SD 4.28Å; L251-M253 PolarHBondContact O-N 3.42Å; M253-N255 PolarHBondContact O-N 2.75Å; M253-N474 VanDerWaalsContact SD-C 3.59Å; M253-R475 WeakPolarHBondContact CB-O 3.13Å
254Y98.2Very high97.5Very high2 Ų231 Ų311%0.00817%0.169CC..BIsolated β-bridgetrans-61.8135.1172.2-168.5-86.4000111.1L251 N447 P448 V450 T477 T478 P479 L482L251-Y254 HydrophobicContact CB-CD2 4.4Å; L251-Y254 HydrophobicContact CD1-CD2 3.92Å; L251-Y254 VanDerWaalsContact O-CB 3.27Å; L251-Y254 WeakPolarHBondContact O-CB 3.01Å; L251-Y254 PolarHBondContact O-N 3.36Å; L251-Y254 VanDerWaalsContact O-N 3.07Å; Y254-N447 PolarHBondContact O-ND2 2.04Å; Y254-P448 HydrophobicContact CD1-CG 3.71Å; Y254-P448 HydrophobicContact CE1-CG 3.87Å; Y254-V450 HydrophobicContact CD1-CG2 3.53Å; Y254-V450 HydrophobicContact CD2-CB 4.08Å; Y254-V450 HydrophobicContact CD2-CG1 4.29Å; Y254-V450 HydrophobicContact CD2-CG2 3.73Å; Y254-V450 HydrophobicContact CE1-CG2 3.65Å; Y254-V450 HydrophobicContact CE2-CB 4.42Å; Y254-V450 HydrophobicContact CE2-CG1 4.3Å; Y254-V450 HydrophobicContact CE2-CG2 3.84Å; Y254-V450 HydrophobicContact CG-CB 4.13Å; Y254-V450 HydrophobicContact CG-CG2 3.53Å; Y254-T477 WeakPolarHBondContact CA-O 3.38Å; Y254-T477 WeakPolarHBondContact CA-OG1 3.32Å; Y254-T477 WeakPolarHBondContact CD2-OG1 3.41Å; Y254-T478 VanDerWaalsContact CE2-C 3.43Å; Y254-P479 HydrophobicContact CE1-CG 4.27Å; Y254-P479 VanDerWaalsContact CZ-CD 3.47Å; Y254-P479 VanDerWaalsContact OH-CA 3.29Å; Y254-P479 WeakPolarHBondContact OH-CA 3.27Å; Y254-P479 VanDerWaalsContact OH-CD 3.27Å; Y254-P479 WeakPolarHBondContact OH-CD 3.34Å; Y254-P479 WeakPolarHBondContact OH-CG 3.45Å; Y254-L482 HydrophobicContact CE2-CD1 3.84Å; Y254-L482 HydrophobicContact CE2-CG 4.06Å; Y254-L482 WeakPolarHBondContact OH-CD1 3.38Å
255N98Very high97.5Very high0 Ų025.5 Ų25.50%014%0.144CC..  trans-130.7132-174.2-159.8116.9000110.9M253 R446 L476 T477 P479 I522 W526 S528M253-N255 PolarHBondContact O-N 2.75Å; N255-R446 WeakPolarHBondContact CA-O 3.37Å; N255-L476 HydrophobicContact CB-CD1 3.84Å; N255-T477 PolarHBondContact N-O 2.85Å; N255-P479 WeakPolarHBondContact O-CD 3.21Å; N255-I522 HydrophobicContact CB-CD1 3.81Å; N255-W526 PolarHBondContact ND2-O 3.1Å; N255-S528 WeakPolarHBondContact OD1-CB 3.47Å; N255-S528 PolarHBondContact OD1-N 3.07Å; N255-S528 PolarHBondContact OD1-OG 3.49Å
256V98Very high97.6Very high5 Ų520.3 Ų20.33%0.0312%0.119CC..  trans-61.3152.6170.8-57.30000111.2H428 R446 P448 W526V256-H428 HydrophobicContact CG1-CB 3.99Å; V256-R446 HydrophobicContact CG2-CB 4Å; V256-R446 HydrophobicContact CG2-CG 4.24Å; V256-R446 PolarHBondContact N-O 3.49Å; V256-P448 HydrophobicContact CG1-CG 3.93Å; V256-W526 HydrophobicContact CG2-CB 4.5Å; V256-W526 HydrophobicContact CG2-CD2 4.27Å; V256-W526 HydrophobicContact CG2-CE3 3.59Å; V256-W526 HydrophobicContact CG2-CZ3 4.24Å
257V97.2Very high97.6Very high11 Ų1119.5 Ų19.57%0.06712%0.115CC..  trans-1110.5179.3-63.40000113.2A263 P267 T478 P479 F480 I522 P523V257-A263 WeakPolarHBondContact CG2-O 3.43Å; V257-P267 HydrophobicContact CG2-CB 4.46Å; V257-P267 HydrophobicContact CG2-CG 3.81Å; V257-T478 HydrophobicContact CG1-CG2 4.03Å; V257-P479 HydrophobicContact CG2-CG 4.15Å; V257-F480 HydrophobicContact CB-CE2 4.03Å; V257-F480 HydrophobicContact CG1-CD2 4.07Å; V257-F480 HydrophobicContact CG1-CE2 3.69Å; V257-F480 HydrophobicContact CG2-CE2 3.98Å; V257-F480 HydrophobicContact CG2-CZ 4.26Å; V257-I522 HydrophobicContact CG1-CG1 4.01Å; V257-P523 WeakPolarHBondContact O-CD 3.14Å
258G96.2Very high97.6Very high13 Ų1313.1 Ų13.113%0.1348%0.081CC..SBendtrans-177.1-171.6-179.800000112.2A263G258-A263 VanDerWaalsContact C-CB 3.42Å
259D94Very high97.6Very high84 Ų8412.7 Ų12.745%0.4498%0.077SC..SBendtrans-88.5122.5-175.3-170.928.6000112.1R431 W526D259-R431 IonicContact OD1-CZ 2.85Å; D259-R431 IonicContact OD1-NE 3.83Å; D259-R431 PolarHBondContact OD1-NE 3.07Å; D259-R431 IonicContact OD1-NH2 3.75Å; D259-R431 PolarHBondContact OD1-NH2 2.69Å; D259-R431 IonicContact OD2-CZ 3.31Å; D259-R431 IonicContact OD2-NH2 2.66Å; D259-R431 PolarHBondContact OD2-NH2 3.06Å; D259-W526 HydrophobicContact CB-CH2 4.09Å; D259-W526 HydrophobicContact CB-CZ2 3.64Å
260G94.6Very high97.6Very high3 Ų311.9 Ų11.93%0.0317%0.072CC..SBendtrans80.7174.4170.800000115.7P262 A263 A264 H428 R431G260-P262 VanDerWaalsContact C-CD 3.5Å; G260-A263 WeakPolarHBondContact O-CB 3.44Å; G260-A263 PolarHBondContact O-N 2.87Å; G260-A264 PolarHBondContact O-N 2.82Å; G260-H428 WeakPolarHBondContact CA-CD2 3.28Å; G260-H428 VanDerWaalsContact CA-NE2 3.34Å; G260-H428 WeakPolarHBondContact CA-NE2 3.48Å; G260-R431 VanDerWaalsContact CA-NH1 3.33Å
261T96.9Very high97.5Very high13 Ų1312.1 Ų12.18%0.088%0.077CC..Hα-helixtrans-51.3-43.5-178.4-34.80000114.4D224 A263 A264 L265 T318 I385 D427 H428D224-T261 PolarHBondContact OD2-OG1 3.48Å; T261-A263 PolarHBondContact O-N 3.01Å; T261-A264 PolarHBondContact O-N 3.24Å; T261-L265 HydrophobicContact CG2-CD1 3.75Å; T261-L265 HydrophobicContact CG2-CG 3.8Å; T261-L265 WeakPolarHBondContact O-CG 3.36Å; T261-L265 PolarHBondContact O-N 3.45Å; T261-T318 HydrophobicContact CG2-CG2 4.23Å; T261-T318 WeakPolarHBondContact CG2-OG1 3.46Å; T261-I385 HydrophobicContact CG2-CD1 3.91Å; T261-D427 WeakPolarHBondContact CA-OD2 3.42Å; T261-D427 WeakPolarHBondContact CB-OD2 2.96Å; T261-D427 HydrophobicContact CG2-CB 4.14Å; T261-D427 VanDerWaalsContact CG2-OD2 3.27Å; T261-D427 WeakPolarHBondContact CG2-OD2 3.24Å; T261-D427 PolarHBondContact OG1-OD2 2.99Å; T261-H428 PolarHBondContact N-CD2 3.1Å; T261-H428 PolarHBondContact N-NE2 3.17Å
262P97.6Very high97.5Very high13 Ų1314.1 Ų14.18%0.0849%0.085CC..Hα-helixtrans-60.2-33.4177.6-26.136.8000113.3G260 A264 L266 T318G260-P262 VanDerWaalsContact C-CD 3.5Å; P262-A264 VanDerWaalsContact C-N 3.29Å; P262-A264 PolarHBondContact O-N 2.93Å; P262-L266 HydrophobicContact CB-CD1 4.35Å; P262-L266 VanDerWaalsContact O-CB 3.23Å; P262-L266 WeakPolarHBondContact O-CB 3.46Å; P262-L266 WeakPolarHBondContact O-CG 3.19Å; P262-L266 PolarHBondContact O-N 3Å; P262-L266 VanDerWaalsContact O-N 3.09Å; P262-T318 HydrophobicContact CB-CG2 4.28Å; P262-T318 HydrophobicContact CG-CG2 3.95Å
263A97.4Very high97.4Very high22 Ų2213.7 Ų13.718%0.1829%0.086CC..Hα-helixtrans-76.4-15.8178.400000113.3V257 G258 G260 T261 P267V257-A263 WeakPolarHBondContact CG2-O 3.43Å; G258-A263 VanDerWaalsContact C-CB 3.42Å; G260-A263 WeakPolarHBondContact O-CB 3.44Å; G260-A263 PolarHBondContact O-N 2.87Å; T261-A263 PolarHBondContact O-N 3.01Å; A263-P267 WeakPolarHBondContact O-CD 3.33Å; A263-P267 VanDerWaalsContact O-CG 3.28Å; A263-P267 WeakPolarHBondContact O-CG 3.18Å
264A98.4Very high97.4Very high5 Ų514.3 Ų14.34%0.0419%0.088CC..Hα-helixtrans-89.2-52.9169.900000111G260 T261 P262 P267 I268 D427G260-A264 PolarHBondContact O-N 2.82Å; T261-A264 PolarHBondContact O-N 3.24Å; P262-A264 VanDerWaalsContact C-N 3.29Å; P262-A264 PolarHBondContact O-N 2.93Å; A264-P267 WeakPolarHBondContact O-CD 3.03Å; A264-I268 WeakPolarHBondContact O-CG1 3.12Å; A264-I268 PolarHBondContact O-N 2.98Å; A264-D427 HydrophobicContact CB-CB 3.7Å; A264-D427 WeakPolarHBondContact CB-O 3.34Å
265L98.6Very high97.1Very high0 Ų015.7 Ų15.70%010%0.095CC..Hα-helixtrans-73.4-40.1-169.9-59.2-160.8000113.1T261 I268 L269 T318 F383 I385 F425T261-L265 HydrophobicContact CG2-CD1 3.75Å; T261-L265 HydrophobicContact CG2-CG 3.8Å; T261-L265 WeakPolarHBondContact O-CG 3.36Å; T261-L265 PolarHBondContact O-N 3.45Å; L265-I268 HydrophobicContact CD2-CD1 4.45Å; L265-I268 PolarHBondContact O-N 3.09Å; L265-L269 HydrophobicContact CB-CD1 4.19Å; L265-L269 VanDerWaalsContact O-CB 3.32Å; L265-L269 WeakPolarHBondContact O-CB 3.41Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.25Å; L265-T318 HydrophobicContact CB-CG2 4.38Å; L265-T318 HydrophobicContact CD1-CG2 4.07Å; L265-T318 HydrophobicContact CG-CG2 4.48Å; L265-F383 HydrophobicContact CD1-CE1 4.13Å; L265-F383 HydrophobicContact CD2-CE1 3.84Å; L265-F383 HydrophobicContact CD2-CZ 3.71Å; L265-I385 HydrophobicContact CD1-CD1 4.15Å; L265-I385 HydrophobicContact CD1-CG2 4.31Å; L265-I385 HydrophobicContact CD2-CD1 4.23Å; L265-F425 HydrophobicContact CD2-CE2 3.71Å; L265-F425 HydrophobicContact CD2-CZ 3.91Å
266L98.6Very high96.9Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-60.7-48.2179.6-70.4170.9000111.8P262 I268 L269 T270 K272 E274 L277 Y293 F295 Y319P262-L266 HydrophobicContact CB-CD1 4.35Å; P262-L266 VanDerWaalsContact O-CB 3.23Å; P262-L266 WeakPolarHBondContact O-CB 3.46Å; P262-L266 WeakPolarHBondContact O-CG 3.19Å; P262-L266 PolarHBondContact O-N 3Å; P262-L266 VanDerWaalsContact O-N 3.09Å; L266-I268 PolarHBondContact O-N 3.3Å; L266-L269 PolarHBondContact O-N 2.63Å; L266-T270 HydrophobicContact CD2-CG2 4.41Å; L266-T270 WeakPolarHBondContact O-CA 3.28Å; L266-T270 WeakPolarHBondContact O-CB 3.32Å; L266-T270 PolarHBondContact O-N 3.32Å; L266-T270 PolarHBondContact O-OG1 2.81Å; L266-K272 CarbonylContact C-O 3.6Å; L266-K272 VanDerWaalsContact C-O 3.31Å; L266-E274 HydrophobicContact CD1-CB 3.86Å; L266-E274 HydrophobicContact CD1-CG 4.01Å; L266-L277 HydrophobicContact CB-CD1 4.28Å; L266-L277 HydrophobicContact CD1-CD1 4.17Å; L266-L277 HydrophobicContact CD2-CD1 3.88Å; L266-L277 HydrophobicContact CG-CD1 4.36Å; L266-Y293 HydrophobicContact CD1-CE2 4.44Å; L266-Y293 HydrophobicContact CD2-CD2 3.66Å; L266-Y293 HydrophobicContact CD2-CE2 3.72Å; L266-F295 HydrophobicContact CD2-CE1 4.09Å; L266-F295 HydrophobicContact CD2-CZ 4.4Å; L266-Y319 HydrophobicContact CD2-CD1 4.37Å; L266-Y319 HydrophobicContact CD2-CE1 3.55Å; L266-Y319 HydrophobicContact CG-CE1 4.02Å
267P98.6Very high96.9Very high2 Ų216 Ų161%0.01310%0.096CC..Hα-helixtrans-58.4-39.9173-34.942.7000115.2V257 A263 A264 G271 K272 P479 F480 H483V257-P267 HydrophobicContact CG2-CB 4.46Å; V257-P267 HydrophobicContact CG2-CG 3.81Å; A263-P267 WeakPolarHBondContact O-CD 3.33Å; A263-P267 VanDerWaalsContact O-CG 3.28Å; A263-P267 WeakPolarHBondContact O-CG 3.18Å; A264-P267 WeakPolarHBondContact O-CD 3.03Å; P267-G271 WeakPolarHBondContact O-CA 3.4Å; P267-G271 PolarHBondContact O-N 3.47Å; P267-K272 WeakPolarHBondContact CA-O 3.4Å; P267-P479 HydrophobicContact CB-CB 3.43Å; P267-P479 VanDerWaalsContact CB-CB 3.43Å; P267-P479 HydrophobicContact CG-CB 4.27Å; P267-F480 HydrophobicContact CB-CD1 3.74Å; P267-F480 HydrophobicContact CB-CE1 3.48Å; P267-F480 VanDerWaalsContact CB-CE1 3.48Å; P267-F480 HydrophobicContact CB-CE2 4.46Å; P267-F480 HydrophobicContact CB-CG 4.32Å; P267-F480 HydrophobicContact CB-CZ 3.88Å; P267-F480 HydrophobicContact CG-CE1 3.82Å; P267-F480 HydrophobicContact CG-CZ 3.84Å; P267-H483 WeakPolarHBondContact O-CB 3.24Å
268I98.8Very high96.8Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-63.4-46.6176.7-65.4168.8000110.3F220 A264 L265 L266 F383 F425 P479 L482 H483F220-I268 HydrophobicContact CD1-CG2 4.45Å; F220-I268 HydrophobicContact CE1-CG2 3.85Å; F220-I268 HydrophobicContact CZ-CG2 4.15Å; A264-I268 WeakPolarHBondContact O-CG1 3.12Å; A264-I268 PolarHBondContact O-N 2.98Å; L265-I268 HydrophobicContact CD2-CD1 4.45Å; L265-I268 PolarHBondContact O-N 3.09Å; L266-I268 PolarHBondContact O-N 3.3Å; I268-F383 HydrophobicContact CG2-CE2 3.84Å; I268-F383 HydrophobicContact CG2-CZ 4.43Å; I268-F425 HydrophobicContact CD1-CD2 4.3Å; I268-F425 HydrophobicContact CD1-CE2 4.12Å; I268-P479 HydrophobicContact CG1-CB 3.88Å; I268-L482 HydrophobicContact CD1-CD1 3.92Å; I268-L482 HydrophobicContact CG1-CB 4.31Å; I268-L482 HydrophobicContact CG1-CD1 4.04Å; I268-L482 HydrophobicContact CG2-CB 4.44Å; I268-H483 VanDerWaalsContact O-CB 3.3Å; I268-H483 WeakPolarHBondContact O-CB 3.12Å; I268-H483 PolarHBondContact O-ND1 3.12Å
269L98.8Very high96.8Very high0 Ų019.3 Ų19.30%011%0.112CC..Hα-helixtrans-89.7-17.5-168.8-65.6165.4000113.5L265 L266 F295 I296 W297 Y319 F381 F383L265-L269 HydrophobicContact CB-CD1 4.19Å; L265-L269 VanDerWaalsContact O-CB 3.32Å; L265-L269 WeakPolarHBondContact O-CB 3.41Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.25Å; L266-L269 PolarHBondContact O-N 2.63Å; L269-F295 HydrophobicContact CB-CD1 3.89Å; L269-F295 HydrophobicContact CB-CE1 4.43Å; L269-F295 CarbonylContact O-C 3.56Å; L269-F295 WeakPolarHBondContact O-CA 3.3Å; L269-I296 HydrophobicContact CD2-CG2 4.09Å; L269-I296 WeakPolarHBondContact O-CB 3.17Å; L269-I296 PolarHBondContact O-N 3.45Å; L269-W297 HydrophobicContact CB-CZ3 4.25Å; L269-W297 HydrophobicContact CD1-CH2 4.13Å; L269-W297 HydrophobicContact CD1-CZ3 3.54Å; L269-W297 HydrophobicContact CD2-CE3 3.83Å; L269-W297 HydrophobicContact CD2-CZ3 3.64Å; L269-W297 HydrophobicContact CG-CZ3 4Å; L269-Y319 WeakPolarHBondContact CD1-OH 3.06Å; L269-F381 HydrophobicContact CD2-CZ 3.85Å; L269-F383 HydrophobicContact CD1-CE1 4.42Å; L269-F383 HydrophobicContact CD1-CE2 4.49Å; L269-F383 HydrophobicContact CD1-CZ 4.37Å; L269-F383 HydrophobicContact CD2-CD2 3.58Å; L269-F383 HydrophobicContact CD2-CE2 3.75Å; L269-F383 HydrophobicContact CD2-CG 4.12Å; L269-F383 HydrophobicContact CD2-CZ 4.43Å; L269-F383 HydrophobicContact CG-CD2 4.4Å; L269-F383 HydrophobicContact CG-CE2 4.15Å; L269-F383 HydrophobicContact CG-CZ 4.43Å
270T98.5Very high96.9Very high8 Ų815.4 Ų15.45%0.0499%0.091CC..Hα-helixtrans-129.5-11.4-176.372.50000113.9L266 K272 L277 F295L266-T270 HydrophobicContact CD2-CG2 4.41Å; L266-T270 WeakPolarHBondContact O-CA 3.28Å; L266-T270 WeakPolarHBondContact O-CB 3.32Å; L266-T270 PolarHBondContact O-N 3.32Å; L266-T270 PolarHBondContact O-OG1 2.81Å; T270-K272 PolarHBondContact O-N 3.31Å; T270-K272 PolarHBondContact OG1-N 3.34Å; T270-K272 VanDerWaalsContact OG1-N 3.12Å; T270-K272 PolarHBondContact OG1-O 2.83Å; T270-L277 HydrophobicContact CG2-CD1 4.36Å; T270-F295 HydrophobicContact CG2-CD1 3.66Å; T270-F295 HydrophobicContact CG2-CE1 4.01Å; T270-F295 HydrophobicContact CG2-CG 4.28Å
271G97.7Very high97Very high17 Ų1717.9 Ų17.918%0.17510%0.099CC..SBendtrans714.6-170.900000114P267 F480 H483 R503P267-G271 WeakPolarHBondContact O-CA 3.4Å; P267-G271 PolarHBondContact O-N 3.47Å; G271-F480 VanDerWaalsContact O-CD1 3.32Å; G271-F480 WeakPolarHBondContact O-CD1 3.27Å; G271-F480 WeakPolarHBondContact O-CE1 3.27Å; G271-H483 VanDerWaalsContact CA-CD2 3.47Å; G271-H483 WeakPolarHBondContact CA-CD2 3.28Å; G271-H483 PolarHBondContact N-CE1 3.29Å; G271-H483 PolarHBondContact N-ND1 2.98Å; G271-R503 PolarHBondContact O-NH2 2.97Å
272K97.3Very high96.9Very high44 Ų4424 Ų2419%0.19112%0.121CC..SBendtrans-128153.6-171.1-66.5-179.8-176.2-78.30112E80 L266 P267 T270 E276 L277 P294E80-K272 IonicContact OE1-NZ 3.62Å; E80-K272 PolarHBondContact OE1-NZ 2.94Å; E80-K272 IonicContact OE2-NZ 3.38Å; E80-K272 PolarHBondContact OE2-NZ 3.14Å; L266-K272 CarbonylContact C-O 3.6Å; L266-K272 VanDerWaalsContact C-O 3.31Å; P267-K272 WeakPolarHBondContact CA-O 3.4Å; T270-K272 PolarHBondContact O-N 3.31Å; T270-K272 PolarHBondContact OG1-N 3.34Å; T270-K272 VanDerWaalsContact OG1-N 3.12Å; T270-K272 PolarHBondContact OG1-O 2.83Å; K272-E276 WeakPolarHBondContact CA-OE2 3.43Å; K272-E276 HydrophobicContact CB-CB 4.1Å; K272-E276 HydrophobicContact CG-CB 4.46Å; K272-L277 HydrophobicContact CB-CD1 4.45Å; K272-L277 HydrophobicContact CB-CD2 3.98Å; K272-L277 HydrophobicContact CB-CG 3.97Å; K272-L277 HydrophobicContact CD-CD2 3.93Å; K272-P294 HydrophobicContact CD-CG 4.45Å
273T96.2Very high96.8Very high32 Ų3227.9 Ų27.920%0.19615%0.148CC..  trans-78.5161.9169.4600000111.1E275 E276 L277 F480T273-E275 PolarHBondContact O-N 2.98Å; T273-E275 VanDerWaalsContact O-N 3.14Å; T273-E276 PolarHBondContact N-OE2 3.02Å; T273-E276 PolarHBondContact O-N 3.28Å; T273-E276 VanDerWaalsContact O-N 3.08Å; T273-E276 VanDerWaalsContact OG1-CG 3.26Å; T273-E276 WeakPolarHBondContact OG1-CG 3.14Å; T273-E276 PolarHBondContact OG1-N 2.69Å; T273-E276 PolarHBondContact OG1-OE2 3.27Å; T273-E276 VanDerWaalsContact OG1-OE2 3.05Å; T273-L277 WeakPolarHBondContact O-CG 3.49Å; T273-L277 PolarHBondContact O-N 3.05Å; T273-F480 HydrophobicContact CG2-CE1 4.38Å; T273-F480 HydrophobicContact CG2-CZ 3.69Å
274E95.1Very high96.7Very high26 Ų2630 Ų3012%0.12115%0.154CC..G310 helixtrans-51.6-37173.5-161.8-168.6117.100111.9Y77 L266 L277 R322Y77-E274 VanDerWaalsContact CD1-O 3.26Å; Y77-E274 WeakPolarHBondContact CD1-O 3.34Å; Y77-E274 HydrophobicContact CE1-CG 4.02Å; Y77-E274 PolarHBondContact OH-OE1 2.92Å; L266-E274 HydrophobicContact CD1-CB 3.86Å; L266-E274 HydrophobicContact CD1-CG 4.01Å; E274-L277 PolarHBondContact O-N 3.33Å; E274-R322 IonicContact OE1-NH1 2.66Å; E274-R322 PolarHBondContact OE1-NH1 3.12Å; E274-R322 IonicContact OE2-CZ 3.17Å; E274-R322 IonicContact OE2-NH1 3.9Å; E274-R322 PolarHBondContact OE2-NH1 3.42Å; E274-R322 IonicContact OE2-NH2 2.9Å; E274-R322 PolarHBondContact OE2-NH2 2.92Å
275E92.5Very high96.3Very high32 Ų3241.4 Ų41.415%0.1520%0.196CC..G310 helixtrans-74.9-27.3-177.7-61.4174.2178.800113.8R75 Y77 G78 R81 T273R75-E275 WeakPolarHBondContact CD-OE1 3.03Å; R75-E275 IonicContact CZ-OE1 2.61Å; R75-E275 IonicContact NE-OE1 3.37Å; R75-E275 IonicContact NH1-OE1 3.2Å; R75-E275 PolarHBondContact NH1-OE1 3.42Å; Y77-E275 CarbonylContact C-O 2.99Å; Y77-E275 VanDerWaalsContact CA-O 3.27Å; Y77-E275 WeakPolarHBondContact CA-O 3.46Å; Y77-E275 HydrophobicContact CE1-CG 4.35Å; G78-E275 PolarHBondContact N-O 3.11Å; R81-E275 IonicContact CZ-OE2 3.1Å; R81-E275 IonicContact NE-OE2 4Å; R81-E275 IonicContact NH2-OE2 3.52Å; R81-E275 PolarHBondContact NH2-OE2 3.28Å; T273-E275 PolarHBondContact O-N 2.98Å; T273-E275 VanDerWaalsContact O-N 3.14Å
276E95Very high95.9Very high10 Ų1049 Ų495%0.04724%0.237CC..G310 helixtrans-81.6-10.6175.7-68.3167.8145.800111.8R81 K272 T273 R503R81-E276 HydrophobicContact CG-CG 4.38Å; R81-E276 PolarHBondContact N-OE1 2.9Å; K272-E276 WeakPolarHBondContact CA-OE2 3.43Å; K272-E276 HydrophobicContact CB-CB 4.1Å; K272-E276 HydrophobicContact CG-CB 4.46Å; T273-E276 PolarHBondContact N-OE2 3.02Å; T273-E276 PolarHBondContact O-N 3.28Å; T273-E276 VanDerWaalsContact O-N 3.08Å; T273-E276 VanDerWaalsContact OG1-CG 3.26Å; T273-E276 WeakPolarHBondContact OG1-CG 3.14Å; T273-E276 PolarHBondContact OG1-N 2.69Å; T273-E276 PolarHBondContact OG1-OE2 3.27Å; T273-E276 VanDerWaalsContact OG1-OE2 3.05Å; E276-R503 VanDerWaalsContact CD-NH1 3.29Å; E276-R503 IonicContact OE1-CZ 3.35Å; E276-R503 IonicContact OE1-NH1 3.06Å; E276-R503 PolarHBondContact OE1-NH1 3.44Å; E276-R503 IonicContact OE1-NH2 2.77Å; E276-R503 IonicContact OE2-CZ 3.34Å; E276-R503 IonicContact OE2-NH1 2.78Å; E276-R503 PolarHBondContact OE2-NH1 3.2Å; E276-R503 IonicContact OE2-NH2 2.98Å; E276-R503 PolarHBondContact OE2-NH2 2.9Å
277L96.4Very high95.8Very high2 Ų249.4 Ų49.41%0.0124%0.24CC..SBendtrans-96.9159.3179.1-66.7167.9000110.9G78 L266 T270 K272 T273 E274 Y293 P294G78-L277 WeakPolarHBondContact CA-O 3.06Å; G78-L277 PolarHBondContact N-O 2.63Å; L266-L277 HydrophobicContact CB-CD1 4.28Å; L266-L277 HydrophobicContact CD1-CD1 4.17Å; L266-L277 HydrophobicContact CD2-CD1 3.88Å; L266-L277 HydrophobicContact CG-CD1 4.36Å; T270-L277 HydrophobicContact CG2-CD1 4.36Å; K272-L277 HydrophobicContact CB-CD1 4.45Å; K272-L277 HydrophobicContact CB-CD2 3.98Å; K272-L277 HydrophobicContact CB-CG 3.97Å; K272-L277 HydrophobicContact CD-CD2 3.93Å; T273-L277 WeakPolarHBondContact O-CG 3.49Å; T273-L277 PolarHBondContact O-N 3.05Å; E274-L277 PolarHBondContact O-N 3.33Å; L277-Y293 HydrophobicContact CB-CD1 3.93Å; L277-Y293 HydrophobicContact CB-CE1 3.55Å; L277-Y293 HydrophobicContact CD1-CD1 4.31Å; L277-Y293 HydrophobicContact CD1-CD2 3.98Å; L277-Y293 HydrophobicContact CD1-CE1 4.32Å; L277-Y293 HydrophobicContact CD1-CE2 3.98Å; L277-Y293 HydrophobicContact CD1-CG 4.13Å; L277-Y293 HydrophobicContact CD2-CD1 4.13Å; L277-Y293 HydrophobicContact CD2-CG 4.28Å; L277-Y293 HydrophobicContact CG-CD1 4.36Å; L277-Y293 HydrophobicContact CG-CE1 4.37Å; L277-P294 VanDerWaalsContact CD2-CD 3.44Å; L277-P294 HydrophobicContact CD2-CG 4.1Å
278P95.9Very high95.7Very high52 Ų5251.8 Ų51.834%0.33826%0.257SS..PPolyproline II helixtrans-53.5151.4174.1-27.835.9000113T280 V292 Y293P278-T280 PolarHBondContact O-N 3.44Å; P278-V292 HydrophobicContact CB-CG2 3.63Å; P278-V292 HydrophobicContact CG-CB 4.41Å; P278-V292 HydrophobicContact CG-CG2 3.74Å; P278-Y293 HydrophobicContact CB-CE1 4.42Å; P278-Y293 WeakPolarHBondContact O-CE1 3.25Å; P278-Y293 PolarHBondContact O-OH 3.23Å
279E96.3Very high95.6Very high41 Ų4155.6 Ų55.619%0.19227%0.273CS..PPolyproline II helixtrans-66118.5177.2178.860.5-101.800111.1Y77 R281 Q284 A287 S288Y77-E279 WeakPolarHBondContact CD2-OE2 3.27Å; E279-R281 WeakPolarHBondContact OE1-CB 3.46Å; E279-R281 WeakPolarHBondContact OE1-CG 3.34Å; E279-R281 IonicContact OE1-CZ 3.55Å; E279-R281 PolarHBondContact OE1-N 3.49Å; E279-R281 IonicContact OE1-NE 3.64Å; E279-R281 PolarHBondContact OE1-NE 2.99Å; E279-R281 IonicContact OE1-NH2 2.76Å; E279-R281 IonicContact OE2-CZ 2.82Å; E279-R281 VanDerWaalsContact OE2-CZ 3.31Å; E279-R281 IonicContact OE2-NE 3.27Å; E279-R281 PolarHBondContact OE2-NE 3.25Å; E279-R281 VanDerWaalsContact OE2-NE 3.17Å; E279-R281 IonicContact OE2-NH2 3.03Å; E279-R281 PolarHBondContact OE2-NH2 3.32Å; E279-Q284 VanDerWaalsContact CD-CG 3.45Å; E279-Q284 HydrophobicContact CG-CB 3.84Å; E279-Q284 HydrophobicContact CG-CG 3.83Å; E279-A287 HydrophobicContact CG-CB 4.26Å; E279-A287 CarbonylContact O-C 3.46Å; E279-A287 VanDerWaalsContact O-CA 3.28Å; E279-A287 WeakPolarHBondContact O-CA 3.23Å; E279-S288 PolarHBondContact O-N 2.98Å
280T97Very high95.6Very high1 Ų155.6 Ų55.61%0.00627%0.273CS..  trans-128.84.8180640000113.1P278 R282 S288 V290 V292 Y293 L323 K324P278-T280 PolarHBondContact O-N 3.44Å; T280-R282 PolarHBondContact O-N 3.38Å; T280-S288 VanDerWaalsContact CA-O 3.27Å; T280-S288 WeakPolarHBondContact CA-O 3.2Å; T280-S288 WeakPolarHBondContact CB-O 3.33Å; T280-S288 WeakPolarHBondContact CG2-O 3.16Å; T280-V290 HydrophobicContact CG2-CG1 4.15Å; T280-V292 HydrophobicContact CG2-CG2 4.25Å; T280-Y293 HydrophobicContact CG2-CD1 4.37Å; T280-Y293 HydrophobicContact CG2-CE1 3.43Å; T280-Y293 VanDerWaalsContact CG2-CE1 3.43Å; T280-Y293 HydrophobicContact CG2-CE2 4.46Å; T280-Y293 WeakPolarHBondContact CG2-OH 3.31Å; T280-Y293 PolarHBondContact OG1-OH 3.02Å; T280-L323 CarbonylContact O-C 3.52Å; T280-L323 WeakPolarHBondContact O-CA 3.45Å; T280-K324 PolarHBondContact O-N 3.39Å
281R96.5Very high95.6Very high56 Ų5657.2 Ų57.221%0.21128%0.282CS..BIsolated β-bridgetrans-68.9134.6-178.2-62.2173.4-62.6165.81110.7Y77 E279 S283 Q284 A287 R322 L323Y77-R281 VanDerWaalsContact CE2-CZ 3.43Å; Y77-R281 VanDerWaalsContact CE2-NH2 3.25Å; Y77-R281 PolarHBondContact OH-NE 2.8Å; Y77-R281 PolarHBondContact OH-NH1 3.36Å; E279-R281 WeakPolarHBondContact OE1-CB 3.46Å; E279-R281 WeakPolarHBondContact OE1-CG 3.34Å; E279-R281 IonicContact OE1-CZ 3.55Å; E279-R281 PolarHBondContact OE1-N 3.49Å; E279-R281 IonicContact OE1-NE 3.64Å; E279-R281 PolarHBondContact OE1-NE 2.99Å; E279-R281 IonicContact OE1-NH2 2.76Å; E279-R281 IonicContact OE2-CZ 2.82Å; E279-R281 VanDerWaalsContact OE2-CZ 3.31Å; E279-R281 IonicContact OE2-NE 3.27Å; E279-R281 PolarHBondContact OE2-NE 3.25Å; E279-R281 VanDerWaalsContact OE2-NE 3.17Å; E279-R281 IonicContact OE2-NH2 3.03Å; E279-R281 PolarHBondContact OE2-NH2 3.32Å; R281-S283 PolarHBondContact O-N 3.14Å; R281-S283 VanDerWaalsContact O-N 3.11Å; R281-Q284 HydrophobicContact CB-CG 4.22Å; R281-Q284 PolarHBondContact O-N 2.87Å; R281-A287 VanDerWaalsContact O-CB 3.24Å; R281-A287 WeakPolarHBondContact O-CB 3.34Å; R281-R322 WeakPolarHBondContact CA-O 3.49Å; R281-L323 HydrophobicContact CB-CD2 4.41Å; R281-L323 HydrophobicContact CG-CD2 3.64Å
282R94.8Very high95.6Very high142 Ų14259.8 Ų59.854%0.53629%0.294SS..THydrogen-bonded Turntrans-59-28-179.8-62.917368.3178.53.2113.2T280 Q284 T320 R322 L323 K324T280-R282 PolarHBondContact O-N 3.38Å; R282-Q284 PolarHBondContact O-N 3.19Å; R282-T320 PolarHBondContact NH1-O 2.62Å; R282-R322 PolarHBondContact N-O 2.84Å; R282-L323 VanDerWaalsContact CD-O 3.23Å; R282-L323 WeakPolarHBondContact CD-O 3.43Å; R282-L323 VanDerWaalsContact CG-O 3.28Å; R282-L323 WeakPolarHBondContact CG-O 3.3Å; R282-K324 HydrophobicContact CG-CG 4.23Å
283S94.7Very high95.6Very high93 Ų9357.8 Ų57.865%0.6529%0.285SS*.THydrogen-bonded Turntrans-72.1-10.5178.462.30000113.9R281R281-S283 PolarHBondContact O-N 3.14Å; R281-S283 VanDerWaalsContact O-N 3.11Å
284Q94.4Very high95.7Very high66 Ų6659.4 Ų59.431%0.30830%0.296SS..SBendtrans-102.2127.5-179.8-55-54.1-49.600111.1E279 R281 R282 N286 A287E279-Q284 VanDerWaalsContact CD-CG 3.45Å; E279-Q284 HydrophobicContact CG-CB 3.84Å; E279-Q284 HydrophobicContact CG-CG 3.83Å; R281-Q284 HydrophobicContact CB-CG 4.22Å; R281-Q284 PolarHBondContact O-N 2.87Å; R282-Q284 PolarHBondContact O-N 3.19Å; Q284-N286 VanDerWaalsContact C-N 3.31Å; Q284-N286 PolarHBondContact O-N 3.09Å; Q284-A287 HydrophobicContact CB-CB 4.16Å; Q284-A287 WeakPolarHBondContact O-CB 3.32Å; Q284-A287 PolarHBondContact O-N 3.46Å
285R90.1Very high95.9Very high246 Ų24658.3 Ų58.393%0.92829%0.291SS*.THydrogen-bonded Turntrans-59.3-38.2-174.6-69-175.9177.7-177.4-1.8113.6
286N91.3Very high96.1Very high160 Ų16057 Ų5786%0.85629%0.285SS*.THydrogen-bonded Turntrans-104.222.8-175.8-62.9-10.4000112.9Q284Q284-N286 VanDerWaalsContact C-N 3.31Å; Q284-N286 PolarHBondContact O-N 3.09Å
287A95.7Very high96.3Very high7 Ų756.6 Ų56.66%0.05828%0.283CS..PPolyproline II helixtrans-66.6141.4177.700000112.1E279 R281 Q284 K324E279-A287 HydrophobicContact CG-CB 4.26Å; E279-A287 CarbonylContact O-C 3.46Å; E279-A287 VanDerWaalsContact O-CA 3.28Å; E279-A287 WeakPolarHBondContact O-CA 3.23Å; R281-A287 VanDerWaalsContact O-CB 3.24Å; R281-A287 WeakPolarHBondContact O-CB 3.34Å; Q284-A287 HydrophobicContact CB-CB 4.16Å; Q284-A287 WeakPolarHBondContact O-CB 3.32Å; Q284-A287 PolarHBondContact O-N 3.46Å; A287-K324 HydrophobicContact CB-CD 3.97Å; A287-K324 WeakPolarHBondContact O-CD 3.36Å; A287-K324 WeakPolarHBondContact O-CE 3.49Å; A287-K324 PolarHBondContact O-NZ 2.98Å
288S96.6Very high96.3Very high52 Ų5260.1 Ų60.136%0.36430%0.298SS..PPolyproline II helixtrans-81.7167.8168.1-620000111.3E279 T280 K324E279-S288 PolarHBondContact O-N 2.98Å; T280-S288 VanDerWaalsContact CA-O 3.27Å; T280-S288 WeakPolarHBondContact CA-O 3.2Å; T280-S288 WeakPolarHBondContact CB-O 3.33Å; T280-S288 WeakPolarHBondContact CG2-O 3.16Å; S288-K324 VanDerWaalsContact O-CD 3.31Å; S288-K324 WeakPolarHBondContact O-CD 3.34Å
289F97.9Very high96.3Very high81 Ų8160.8 Ų60.836%0.35530%0.297SS..PPolyproline II helixtrans-74160.9163.7-66.9-92.9000110.3D291 V292 K324 G325 K327F289-D291 WeakPolarHBondContact CB-OD2 3.37Å; F289-D291 PolarHBondContact O-N 2.83Å; F289-D291 VanDerWaalsContact O-N 3.12Å; F289-V292 WeakPolarHBondContact O-CG2 3.47Å; F289-V292 PolarHBondContact O-N 3.25Å; F289-K324 HydrophobicContact CD1-CB 4.03Å; F289-K324 WeakPolarHBondContact CD1-O 3.34Å; F289-K324 HydrophobicContact CG-CB 4.44Å; F289-G325 WeakPolarHBondContact CB-O 3.21Å; F289-K327 HydrophobicContact CB-CB 4.13Å; F289-K327 HydrophobicContact CD1-CB 3.89Å; F289-K327 HydrophobicContact CD2-CB 4.06Å; F289-K327 HydrophobicContact CD2-CD 4.2Å; F289-K327 HydrophobicContact CE1-CB 4.28Å; F289-K327 HydrophobicContact CE2-CB 4.44Å; F289-K327 HydrophobicContact CE2-CD 4.14Å; F289-K327 HydrophobicContact CE2-CG 4.48Å; F289-K327 HydrophobicContact CG-CB 3.78Å
290V97.9Very high96.2Very high0 Ų058.9 Ų58.90%029%0.288CS..G310 helixtrans-68.4-9.6-177.6-61.70000113.4T280 V292 Y293 F295 L323 G325 F326T280-V290 HydrophobicContact CG2-CG1 4.15Å; V290-V292 PolarHBondContact O-N 2.94Å; V290-Y293 HydrophobicContact CB-CD2 4.06Å; V290-Y293 HydrophobicContact CB-CE2 4.11Å; V290-Y293 HydrophobicContact CG1-CD2 4.39Å; V290-Y293 HydrophobicContact CG1-CE2 3.93Å; V290-Y293 VanDerWaalsContact O-CB 3.31Å; V290-Y293 WeakPolarHBondContact O-CB 3.37Å; V290-Y293 PolarHBondContact O-N 3.07Å; V290-F295 WeakPolarHBondContact O-CE2 3.23Å; V290-L323 HydrophobicContact CG1-CB 3.89Å; V290-L323 HydrophobicContact CG1-CD1 3.94Å; V290-G325 VanDerWaalsContact CG2-O 3.24Å; V290-G325 WeakPolarHBondContact CG2-O 3.34Å; V290-G325 PolarHBondContact N-O 2.81Å; V290-F326 HydrophobicContact CB-CE1 4.43Å; V290-F326 HydrophobicContact CG2-CB 4.37Å; V290-F326 HydrophobicContact CG2-CD1 3.4Å; V290-F326 HydrophobicContact CG2-CD2 3.83Å; V290-F326 HydrophobicContact CG2-CE1 3.45Å; V290-F326 VanDerWaalsContact CG2-CE1 3.45Å; V290-F326 HydrophobicContact CG2-CE2 3.87Å; V290-F326 HydrophobicContact CG2-CG 3.59Å; V290-F326 HydrophobicContact CG2-CZ 3.68Å
291D98.1Very high96.1Very high41 Ų4162.2 Ų62.222%0.21930%0.302CS..G310 helixtrans-50.6-24.5171.1-53.8-121.1000113.3F289 Y293 K298 F326 K327 E328F289-D291 WeakPolarHBondContact CB-OD2 3.37Å; F289-D291 PolarHBondContact O-N 2.83Å; F289-D291 VanDerWaalsContact O-N 3.12Å; D291-Y293 PolarHBondContact O-N 2.86Å; D291-K298 PolarHBondContact O-NZ 2.85Å; D291-F326 WeakPolarHBondContact OD2-CA 3.44Å; D291-K327 PolarHBondContact OD1-N 2.95Å; D291-K327 PolarHBondContact OD2-N 2.81Å; D291-E328 PolarHBondContact OD1-N 2.82Å
292V97.6Very high95.9Very high72 Ų7266.6 Ų66.644%0.43633%0.326SS..G310 helixtrans-76-9.3177.9-58.50000113.6P278 T280 F289 V290P278-V292 HydrophobicContact CB-CG2 3.63Å; P278-V292 HydrophobicContact CG-CB 4.41Å; P278-V292 HydrophobicContact CG-CG2 3.74Å; T280-V292 HydrophobicContact CG2-CG2 4.25Å; F289-V292 WeakPolarHBondContact O-CG2 3.47Å; F289-V292 PolarHBondContact O-N 3.25Å; V290-V292 PolarHBondContact O-N 2.94Å
293Y98.3Very high95.7Very high1 Ų161.5 Ų61.50%0.00431%0.309CS..SBendtrans-75144.8-178.2-65.8-6.2000111.9L266 L277 P278 T280 V290 D291 F295 K298 L323L266-Y293 HydrophobicContact CD1-CE2 4.44Å; L266-Y293 HydrophobicContact CD2-CD2 3.66Å; L266-Y293 HydrophobicContact CD2-CE2 3.72Å; L277-Y293 HydrophobicContact CB-CD1 3.93Å; L277-Y293 HydrophobicContact CB-CE1 3.55Å; L277-Y293 HydrophobicContact CD1-CD1 4.31Å; L277-Y293 HydrophobicContact CD1-CD2 3.98Å; L277-Y293 HydrophobicContact CD1-CE1 4.32Å; L277-Y293 HydrophobicContact CD1-CE2 3.98Å; L277-Y293 HydrophobicContact CD1-CG 4.13Å; L277-Y293 HydrophobicContact CD2-CD1 4.13Å; L277-Y293 HydrophobicContact CD2-CG 4.28Å; L277-Y293 HydrophobicContact CG-CD1 4.36Å; L277-Y293 HydrophobicContact CG-CE1 4.37Å; P278-Y293 HydrophobicContact CB-CE1 4.42Å; P278-Y293 WeakPolarHBondContact O-CE1 3.25Å; P278-Y293 PolarHBondContact O-OH 3.23Å; T280-Y293 HydrophobicContact CG2-CD1 4.37Å; T280-Y293 HydrophobicContact CG2-CE1 3.43Å; T280-Y293 VanDerWaalsContact CG2-CE1 3.43Å; T280-Y293 HydrophobicContact CG2-CE2 4.46Å; T280-Y293 WeakPolarHBondContact CG2-OH 3.31Å; T280-Y293 PolarHBondContact OG1-OH 3.02Å; V290-Y293 HydrophobicContact CB-CD2 4.06Å; V290-Y293 HydrophobicContact CB-CE2 4.11Å; V290-Y293 HydrophobicContact CG1-CD2 4.39Å; V290-Y293 HydrophobicContact CG1-CE2 3.93Å; V290-Y293 VanDerWaalsContact O-CB 3.31Å; V290-Y293 WeakPolarHBondContact O-CB 3.37Å; V290-Y293 PolarHBondContact O-N 3.07Å; D291-Y293 PolarHBondContact O-N 2.86Å; Y293-F295 VanDerWaalsContact CB-CE2 3.49Å; Y293-F295 HydrophobicContact CD2-CE1 4.36Å; Y293-F295 HydrophobicContact CD2-CE2 4Å; Y293-F295 AromaticContact CD2-CZ 3.67Å; Y293-F295 HydrophobicContact CD2-CZ 3.67Å; Y293-F295 HydrophobicContact CG-CE2 4.17Å; Y293-F295 HydrophobicContact CG-CZ 4.26Å; Y293-F295 PolarHBondContact O-N 3.03Å; Y293-K298 PolarHBondContact O-NZ 2.72Å; Y293-L323 HydrophobicContact CE2-CD1 4.45Å
294P97.5Very high95.6Very high67 Ų6758.1 Ų58.144%0.43529%0.289SS..  trans-83.660.1179.636.5-34.9000110.2K272 L277 I296K272-P294 HydrophobicContact CD-CG 4.45Å; L277-P294 VanDerWaalsContact CD2-CD 3.44Å; L277-P294 HydrophobicContact CD2-CG 4.1Å; P294-I296 PolarHBondContact O-N 3.33Å
295F98.7Very high95.6Very high2 Ų255 Ų551%0.00927%0.274CS..  trans-62.5135.7178.3-67.1-72.4000111.4L266 L269 T270 V290 Y293 W297 K298 Y319 F326L266-F295 HydrophobicContact CD2-CE1 4.09Å; L266-F295 HydrophobicContact CD2-CZ 4.4Å; L269-F295 HydrophobicContact CB-CD1 3.89Å; L269-F295 HydrophobicContact CB-CE1 4.43Å; L269-F295 CarbonylContact O-C 3.56Å; L269-F295 WeakPolarHBondContact O-CA 3.3Å; T270-F295 HydrophobicContact CG2-CD1 3.66Å; T270-F295 HydrophobicContact CG2-CE1 4.01Å; T270-F295 HydrophobicContact CG2-CG 4.28Å; V290-F295 WeakPolarHBondContact O-CE2 3.23Å; Y293-F295 VanDerWaalsContact CB-CE2 3.49Å; Y293-F295 HydrophobicContact CD2-CE1 4.36Å; Y293-F295 HydrophobicContact CD2-CE2 4Å; Y293-F295 AromaticContact CD2-CZ 3.67Å; Y293-F295 HydrophobicContact CD2-CZ 3.67Å; Y293-F295 HydrophobicContact CG-CE2 4.17Å; Y293-F295 HydrophobicContact CG-CZ 4.26Å; Y293-F295 PolarHBondContact O-N 3.03Å; F295-W297 HydrophobicContact CB-CD2 3.54Å; F295-W297 HydrophobicContact CB-CE3 4.06Å; F295-W297 HydrophobicContact CB-CG 4.09Å; F295-W297 HydrophobicContact CB-CH2 3.97Å; F295-W297 HydrophobicContact CB-CZ2 3.43Å; F295-W297 VanDerWaalsContact CB-CZ2 3.43Å; F295-W297 HydrophobicContact CB-CZ3 4.27Å; F295-W297 HydrophobicContact CD1-CE3 4.43Å; F295-W297 AromaticContact CD1-CH2 3.24Å; F295-W297 HydrophobicContact CD1-CH2 3.24Å; F295-W297 AromaticContact CD1-CZ2 3.41Å; F295-W297 HydrophobicContact CD1-CZ2 3.41Å; F295-W297 VanDerWaalsContact CD1-CZ2 3.41Å; F295-W297 AromaticContact CD1-CZ3 3.82Å; F295-W297 HydrophobicContact CD1-CZ3 3.82Å; F295-W297 AromaticContact CD2-CE2 3.88Å; F295-W297 HydrophobicContact CD2-CH2 4.05Å; F295-W297 AromaticContact CD2-CZ2 3.34Å; F295-W297 HydrophobicContact CD2-CZ2 3.34Å; F295-W297 AromaticContact CE1-CH2 3.52Å; F295-W297 HydrophobicContact CE1-CH2 3.52Å; F295-W297 AromaticContact CE1-CZ2 3.86Å; F295-W297 HydrophobicContact CE1-CZ2 3.86Å; F295-W297 HydrophobicContact CE1-CZ3 4.36Å; F295-W297 HydrophobicContact CE2-CH2 4.27Å; F295-W297 AromaticContact CE2-CZ2 3.79Å; F295-W297 HydrophobicContact CE2-CZ2 3.79Å; F295-W297 HydrophobicContact CG-CD2 4.19Å; F295-W297 AromaticContact CG-CE2 3.5Å; F295-W297 HydrophobicContact CG-CE3 4.48Å; F295-W297 AromaticContact CG-CH2 3.52Å; F295-W297 HydrophobicContact CG-CH2 3.52Å; F295-W297 AromaticContact CG-CZ2 3.11Å; F295-W297 HydrophobicContact CG-CZ2 3.11Å; F295-W297 HydrophobicContact CG-CZ3 4.21Å; F295-W297 HydrophobicContact CZ-CH2 4.02Å; F295-W297 HydrophobicContact CZ-CZ2 4.02Å; F295-W297 PolarHBondContact O-N 3.47Å; F295-K298 WeakPolarHBondContact O-CB 3.4Å; F295-K298 PolarHBondContact O-N 3.17Å; F295-Y319 HydrophobicContact CE1-CE1 4.22Å; F295-Y319 HydrophobicContact CE1-CE2 4.45Å; F295-Y319 AromaticContact CE1-CZ 3.9Å; F295-Y319 HydrophobicContact CZ-CE1 4.21Å; F295-Y319 HydrophobicContact CZ-CE2 4.48Å; F295-F326 HydrophobicContact CD2-CE1 4.06Å; F295-F326 HydrophobicContact CD2-CZ 4.4Å; F295-F326 AromaticContact CE2-CE1 3.38Å; F295-F326 HydrophobicContact CE2-CE1 3.38Å; F295-F326 AromaticContact CE2-CZ 3.59Å; F295-F326 HydrophobicContact CE2-CZ 3.59Å; F295-F326 HydrophobicContact CZ-CE1 4Å; F295-F326 AromaticContact CZ-CZ 3.72Å; F295-F326 HydrophobicContact CZ-CZ 3.72Å
296I98.4Very high95.9Very high4 Ų443.3 Ų43.32%0.02123%0.23CC..Hα-helixtrans-59.4-31.7-174.9-170.162.3000112.2L269 P294 K298 E299 L300 F381 L486 K487L269-I296 HydrophobicContact CD2-CG2 4.09Å; L269-I296 WeakPolarHBondContact O-CB 3.17Å; L269-I296 PolarHBondContact O-N 3.45Å; P294-I296 PolarHBondContact O-N 3.33Å; I296-K298 PolarHBondContact O-N 3.22Å; I296-E299 WeakPolarHBondContact O-CB 3.28Å; I296-E299 PolarHBondContact O-N 2.76Å; I296-E299 VanDerWaalsContact O-N 3.11Å; I296-L300 HydrophobicContact CG1-CD1 4.19Å; I296-L300 HydrophobicContact CG1-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 2.81Å; I296-F381 HydrophobicContact CG2-CE2 4.17Å; I296-F381 HydrophobicContact CG2-CZ 4.06Å; I296-L486 HydrophobicContact CG2-CD1 4.31Å; I296-K487 HydrophobicContact CD1-CD 3.5Å; I296-K487 HydrophobicContact CD1-CG 4.29Å
297W97.7Very high96.2Very high2 Ų235.9 Ų35.91%0.00819%0.19CC..Hα-helixtrans-61.9-24.3176.55874.3000113.2L269 F295 L300 K301 T307 Y309 F326 P330 T331 F381L269-W297 HydrophobicContact CB-CZ3 4.25Å; L269-W297 HydrophobicContact CD1-CH2 4.13Å; L269-W297 HydrophobicContact CD1-CZ3 3.54Å; L269-W297 HydrophobicContact CD2-CE3 3.83Å; L269-W297 HydrophobicContact CD2-CZ3 3.64Å; L269-W297 HydrophobicContact CG-CZ3 4Å; F295-W297 HydrophobicContact CB-CD2 3.54Å; F295-W297 HydrophobicContact CB-CE3 4.06Å; F295-W297 HydrophobicContact CB-CG 4.09Å; F295-W297 HydrophobicContact CB-CH2 3.97Å; F295-W297 HydrophobicContact CB-CZ2 3.43Å; F295-W297 VanDerWaalsContact CB-CZ2 3.43Å; F295-W297 HydrophobicContact CB-CZ3 4.27Å; F295-W297 HydrophobicContact CD1-CE3 4.43Å; F295-W297 AromaticContact CD1-CH2 3.24Å; F295-W297 HydrophobicContact CD1-CH2 3.24Å; F295-W297 AromaticContact CD1-CZ2 3.41Å; F295-W297 HydrophobicContact CD1-CZ2 3.41Å; F295-W297 VanDerWaalsContact CD1-CZ2 3.41Å; F295-W297 AromaticContact CD1-CZ3 3.82Å; F295-W297 HydrophobicContact CD1-CZ3 3.82Å; F295-W297 AromaticContact CD2-CE2 3.88Å; F295-W297 HydrophobicContact CD2-CH2 4.05Å; F295-W297 AromaticContact CD2-CZ2 3.34Å; F295-W297 HydrophobicContact CD2-CZ2 3.34Å; F295-W297 AromaticContact CE1-CH2 3.52Å; F295-W297 HydrophobicContact CE1-CH2 3.52Å; F295-W297 AromaticContact CE1-CZ2 3.86Å; F295-W297 HydrophobicContact CE1-CZ2 3.86Å; F295-W297 HydrophobicContact CE1-CZ3 4.36Å; F295-W297 HydrophobicContact CE2-CH2 4.27Å; F295-W297 AromaticContact CE2-CZ2 3.79Å; F295-W297 HydrophobicContact CE2-CZ2 3.79Å; F295-W297 HydrophobicContact CG-CD2 4.19Å; F295-W297 AromaticContact CG-CE2 3.5Å; F295-W297 HydrophobicContact CG-CE3 4.48Å; F295-W297 AromaticContact CG-CH2 3.52Å; F295-W297 HydrophobicContact CG-CH2 3.52Å; F295-W297 AromaticContact CG-CZ2 3.11Å; F295-W297 HydrophobicContact CG-CZ2 3.11Å; F295-W297 HydrophobicContact CG-CZ3 4.21Å; F295-W297 HydrophobicContact CZ-CH2 4.02Å; F295-W297 HydrophobicContact CZ-CZ2 4.02Å; F295-W297 PolarHBondContact O-N 3.47Å; W297-L300 PolarHBondContact O-N 3.46Å; W297-K301 WeakPolarHBondContact O-CB 3.27Å; W297-K301 PolarHBondContact O-N 3.08Å; W297-T307 HydrophobicContact CB-CG2 4.1Å; W297-Y309 HydrophobicContact CZ3-CD2 4.36Å; W297-F326 HydrophobicContact CH2-CZ 4.21Å; W297-F326 HydrophobicContact CZ2-CE1 4.15Å; W297-F326 AromaticContact CZ2-CZ 3.83Å; W297-F326 HydrophobicContact CZ2-CZ 3.83Å; W297-P330 HydrophobicContact CZ2-CB 4.04Å; W297-P330 PolarHBondContact NE1-O 3.03Å; W297-T331 HydrophobicContact CB-CG2 4.28Å; W297-T331 HydrophobicContact CD2-CG2 4.07Å; W297-T331 HydrophobicContact CG-CG2 3.93Å; W297-F381 HydrophobicContact CB-CD1 3.96Å; W297-F381 HydrophobicContact CB-CE1 3.95Å; W297-F381 HydrophobicContact CE3-CE1 4.01Å; W297-F381 HydrophobicContact CE3-CZ 4.5Å
298K97.3Very high96.4Very high77 Ų7735.5 Ų35.534%0.33519%0.187SC..Hα-helixtrans-67.9-42.3174.4-64.2178.8173.9177.40111.6D291 Y293 F295 I296 Q302D291-K298 PolarHBondContact O-NZ 2.85Å; Y293-K298 PolarHBondContact O-NZ 2.72Å; F295-K298 WeakPolarHBondContact O-CB 3.4Å; F295-K298 PolarHBondContact O-N 3.17Å; I296-K298 PolarHBondContact O-N 3.22Å; K298-Q302 WeakPolarHBondContact O-CG 3.44Å; K298-Q302 PolarHBondContact O-N 2.71Å
299E94.9Very high96.5Very high66 Ų6633 Ų3331%0.30817%0.17SC..Hα-helixtrans-67.7-43.3174.7-176.1-179.8173.200110.6I296 K301 Q302 L303 K487I296-E299 WeakPolarHBondContact O-CB 3.28Å; I296-E299 PolarHBondContact O-N 2.76Å; I296-E299 VanDerWaalsContact O-N 3.11Å; E299-K301 VanDerWaalsContact C-N 3.33Å; E299-K301 PolarHBondContact O-N 3.45Å; E299-Q302 WeakPolarHBondContact O-CB 3.35Å; E299-Q302 PolarHBondContact O-N 3.26Å; E299-Q302 VanDerWaalsContact O-N 3.17Å; E299-L303 PolarHBondContact O-N 3.21Å; E299-L303 VanDerWaalsContact O-N 3.08Å; E299-K487 IonicContact OE1-NZ 2.97Å; E299-K487 PolarHBondContact OE1-NZ 3.45Å; E299-K487 IonicContact OE2-NZ 3.93Å; E299-K487 PolarHBondContact OE2-NZ 2.69Å
300L95.3Very high96.5Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..Hα-helixtrans-62.7-40.4176.6-63.6174.3000111.8F218 I296 W297 Q302 L303 G304 Y305 F381 L490F218-L300 HydrophobicContact CD2-CD1 4.16Å; F218-L300 HydrophobicContact CD2-CD2 4.44Å; F218-L300 HydrophobicContact CE2-CD1 4.4Å; F218-L300 HydrophobicContact CE2-CD2 3.93Å; I296-L300 HydrophobicContact CG1-CD1 4.19Å; I296-L300 HydrophobicContact CG1-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 2.81Å; W297-L300 PolarHBondContact O-N 3.46Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 3.28Å; L300-L303 CarbonylContact O-C 3.09Å; L300-L303 WeakPolarHBondContact O-CA 3.45Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 PolarHBondContact O-N 3.33Å; L300-G304 PolarHBondContact O-N 2.95Å; L300-Y305 HydrophobicContact CB-CD1 4.33Å; L300-Y305 HydrophobicContact CB-CD2 4.06Å; L300-Y305 HydrophobicContact CB-CG 3.86Å; L300-Y305 HydrophobicContact CD2-CD1 4.41Å; L300-Y305 HydrophobicContact CD2-CD2 4.18Å; L300-Y305 HydrophobicContact CD2-CE1 4.21Å; L300-Y305 HydrophobicContact CD2-CE2 3.97Å; L300-Y305 HydrophobicContact CD2-CG 4.4Å; L300-Y305 WeakPolarHBondContact O-CB 3.31Å; L300-Y305 VanDerWaalsContact O-CD2 3.29Å; L300-Y305 WeakPolarHBondContact O-CD2 3.32Å; L300-Y305 PolarHBondContact O-N 3.37Å; L300-F381 HydrophobicContact CD1-CB 3.81Å; L300-F381 HydrophobicContact CD1-CD1 4.44Å; L300-F381 HydrophobicContact CD1-CD2 3.24Å; L300-F381 HydrophobicContact CD1-CE2 3.93Å; L300-F381 HydrophobicContact CD1-CG 3.57Å; L300-L490 HydrophobicContact CD2-CD1 4.32Å; L300-L490 HydrophobicContact CD2-CD2 3.76Å
301K94.1Very high96.5Very high70 Ų7029.4 Ų29.430%0.30415%0.154SC..Hα-helixtrans-59-41174.2179.665.5-179.2-178.70111.5M202 W297 E299 L303 G304 T307 D332M202-K301 HydrophobicContact CE-CD 4.23Å; W297-K301 WeakPolarHBondContact O-CB 3.27Å; W297-K301 PolarHBondContact O-N 3.08Å; E299-K301 VanDerWaalsContact C-N 3.33Å; E299-K301 PolarHBondContact O-N 3.45Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 PolarHBondContact O-N 3.44Å; K301-G304 PolarHBondContact O-N 2.98Å; K301-T307 HydrophobicContact CB-CG2 4.25Å; K301-D332 IonicContact NZ-OD1 2.79Å; K301-D332 PolarHBondContact NZ-OD1 2.85Å; K301-D332 IonicContact NZ-OD2 3.65Å
302Q91.9Very high96.3Very high149 Ų14927.9 Ų27.970%0.69615%0.146SC*.Hα-helixtrans-66.6-25.8174-69.8172.3-0.800113.1N207 K298 E299 L300 G304N207-Q302 PolarHBondContact ND2-O 3.27Å; K298-Q302 WeakPolarHBondContact O-CG 3.44Å; K298-Q302 PolarHBondContact O-N 2.71Å; E299-Q302 WeakPolarHBondContact O-CB 3.35Å; E299-Q302 PolarHBondContact O-N 3.26Å; E299-Q302 VanDerWaalsContact O-N 3.17Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 3.28Å; Q302-G304 PolarHBondContact O-N 3.32Å
303L91.2Very high96.2Very high35 Ų3524.7 Ų24.718%0.18313%0.127CC..THydrogen-bonded Turntrans-82.62.5172.1-66.2173.9000113.2N207 E299 L300 K301 Y305 L490N207-L303 HydrophobicContact CB-CD2 3.95Å; N207-L303 PolarHBondContact N-O 3.45Å; N207-L303 VanDerWaalsContact N-O 3.08Å; E299-L303 PolarHBondContact O-N 3.21Å; E299-L303 VanDerWaalsContact O-N 3.08Å; L300-L303 CarbonylContact O-C 3.09Å; L300-L303 WeakPolarHBondContact O-CA 3.45Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 PolarHBondContact O-N 3.33Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 PolarHBondContact O-N 3.44Å; L303-Y305 HydrophobicContact CB-CD2 4.06Å; L303-Y305 HydrophobicContact CB-CE2 4.18Å; L303-L490 HydrophobicContact CD1-CD1 3.94Å; L303-L490 HydrophobicContact CD1-CD2 3.8Å; L303-L490 HydrophobicContact CD1-CG 4.35Å
304G92.4Very high96Very high22 Ų2225 Ų2523%0.22713%0.129CC..THydrogen-bonded Turntrans84.924.117900000113.7L300 K301 Q302 Q378L300-G304 PolarHBondContact O-N 2.95Å; K301-G304 PolarHBondContact O-N 2.98Å; Q302-G304 PolarHBondContact O-N 3.32Å; G304-Q378 PolarHBondContact O-NE2 3.37Å
305Y94.8Very high95.8Very high1 Ų125 Ų250%0.00413%0.128CC..  trans-76.7143.8171.9-76.7-120.2000111.4P215 L216 F218 L300 L303 P379 F381P215-Y305 HydrophobicContact CB-CE2 3.88Å; P215-Y305 WeakPolarHBondContact CB-OH 3.44Å; P215-Y305 HydrophobicContact CG-CE2 4.46Å; L216-Y305 VanDerWaalsContact O-CE1 3.29Å; L216-Y305 WeakPolarHBondContact O-CE1 3.48Å; L216-Y305 PolarHBondContact O-OH 3.43Å; F218-Y305 HydrophobicContact CD2-CD1 4.47Å; F218-Y305 AromaticContact CD2-CE1 3.68Å; F218-Y305 HydrophobicContact CD2-CE1 3.68Å; F218-Y305 AromaticContact CE2-CE1 3.73Å; F218-Y305 HydrophobicContact CE2-CE1 3.73Å; F218-Y305 AromaticContact CE2-CZ 3.89Å; F218-Y305 WeakPolarHBondContact CE2-OH 3.26Å; L300-Y305 HydrophobicContact CB-CD1 4.33Å; L300-Y305 HydrophobicContact CB-CD2 4.06Å; L300-Y305 HydrophobicContact CB-CG 3.86Å; L300-Y305 HydrophobicContact CD2-CD1 4.41Å; L300-Y305 HydrophobicContact CD2-CD2 4.18Å; L300-Y305 HydrophobicContact CD2-CE1 4.21Å; L300-Y305 HydrophobicContact CD2-CE2 3.97Å; L300-Y305 HydrophobicContact CD2-CG 4.4Å; L300-Y305 WeakPolarHBondContact O-CB 3.31Å; L300-Y305 VanDerWaalsContact O-CD2 3.29Å; L300-Y305 WeakPolarHBondContact O-CD2 3.32Å; L300-Y305 PolarHBondContact O-N 3.37Å; L303-Y305 HydrophobicContact CB-CD2 4.06Å; L303-Y305 HydrophobicContact CB-CE2 4.18Å; Y305-P379 CarbonylContact C-O 3.49Å; Y305-P379 WeakPolarHBondContact CA-O 3.29Å; Y305-P379 HydrophobicContact CD1-CB 3.78Å; Y305-P379 HydrophobicContact CD1-CG 4.38Å; Y305-P379 HydrophobicContact CD2-CB 4.02Å; Y305-P379 HydrophobicContact CD2-CG 3.84Å; Y305-P379 HydrophobicContact CE1-CB 3.72Å; Y305-P379 HydrophobicContact CE2-CB 3.95Å; Y305-P379 HydrophobicContact CE2-CG 4.06Å; Y305-P379 HydrophobicContact CG-CB 3.94Å; Y305-P379 HydrophobicContact CG-CG 4.02Å; Y305-F381 HydrophobicContact CD1-CB 4.13Å
306A96.5Very high95.5Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-77.7132.2158.700000108.8M202 F370 Y374 Q378 P379 K380 F381M202-A306 VanDerWaalsContact CE-CA 3.49Å; M202-A306 HydrophobicContact CE-CB 3.93Å; M202-A306 HydrophobicContact SD-CB 4.29Å; A306-F370 HydrophobicContact CB-CE2 3.78Å; A306-F370 HydrophobicContact CB-CZ 3.7Å; A306-Y374 HydrophobicContact CB-CD1 4.42Å; A306-Y374 HydrophobicContact CB-CD2 4.27Å; A306-Y374 HydrophobicContact CB-CE1 4.28Å; A306-Y374 HydrophobicContact CB-CE2 4.14Å; A306-Y374 HydrophobicContact CB-CG 4.41Å; A306-Q378 HydrophobicContact CB-CG 4.21Å; A306-Q378 VanDerWaalsContact N-NE2 3.17Å; A306-P379 PolarHBondContact N-O 3.07Å; A306-K380 WeakPolarHBondContact O-CA 3.35Å; A306-F381 PolarHBondContact O-N 2.87Å
307T97.9Very high95.4Very high3 Ų326.7 Ų26.72%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-119.5134.3-171.461.20000112W297 K301 T331 D332 H333 F381W297-T307 HydrophobicContact CB-CG2 4.1Å; K301-T307 HydrophobicContact CB-CG2 4.25Å; T307-T331 WeakPolarHBondContact OG1-CA 3.38Å; T307-T331 WeakPolarHBondContact OG1-CB 3.26Å; T307-D332 PolarHBondContact N-OD2 3.47Å; T307-D332 WeakPolarHBondContact O-CB 3.48Å; T307-D332 PolarHBondContact O-N 2.69Å; T307-D332 PolarHBondContact OG1-N 3.37Å; T307-D332 PolarHBondContact OG1-OD2 3.2Å; T307-H333 PolarHBondContact O-N 2.76Å; T307-F381 CarbonylContact C-O 2.97Å; T307-F381 WeakPolarHBondContact CA-O 3.41Å; T307-F381 HydrophobicContact CG2-CB 4.45Å
308L98.7Very high95.4Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-133.3129.6178.2-177154.8000109.8I196 A310 H333 Y366 V367 F370 F381 A382 F383I196-L308 HydrophobicContact CD1-CD1 4.07Å; L308-A310 HydrophobicContact CD2-CB 3.78Å; L308-H333 WeakPolarHBondContact CA-O 3.21Å; L308-H333 HydrophobicContact CB-CB 4.01Å; L308-H333 HydrophobicContact CD1-CB 3.96Å; L308-H333 HydrophobicContact CG-CB 3.9Å; L308-Y366 HydrophobicContact CD1-CD1 3.78Å; L308-Y366 HydrophobicContact CD1-CE1 3.59Å; L308-Y366 HydrophobicContact CD2-CD1 4.47Å; L308-Y366 HydrophobicContact CD2-CE1 4.44Å; L308-Y366 HydrophobicContact CG-CD1 4.37Å; L308-Y366 HydrophobicContact CG-CE1 3.97Å; L308-V367 HydrophobicContact CD1-CG2 4.34Å; L308-V367 HydrophobicContact CD2-CG2 3.89Å; L308-F370 HydrophobicContact CB-CD1 4.19Å; L308-F370 HydrophobicContact CB-CE1 4.02Å; L308-F370 HydrophobicContact CB-CE2 4.38Å; L308-F370 HydrophobicContact CB-CG 4.43Å; L308-F370 HydrophobicContact CB-CZ 4.14Å; L308-F370 HydrophobicContact CD1-CB 3.68Å; L308-F370 HydrophobicContact CD1-CD1 3.93Å; L308-F370 HydrophobicContact CD1-CD2 4.04Å; L308-F370 HydrophobicContact CD1-CG 3.62Å; L308-F381 PolarHBondContact N-O 2.85Å; L308-A382 HydrophobicContact CB-CB 4.38Å; L308-A382 HydrophobicContact CD2-CB 4.34Å; L308-F383 PolarHBondContact O-N 3.04Å
309Y98.8Very high95.4Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-123.8127.9168.1-179.1-114.8000108.8W297 E311 Y319 T331 H333 Y334 L335 F383W297-Y309 HydrophobicContact CZ3-CD2 4.36Å; Y309-E311 HydrophobicContact CE1-CB 4.24Å; Y309-E311 PolarHBondContact OH-OE2 2.84Å; Y309-Y319 HydrophobicContact CE1-CD2 4.24Å; Y309-Y319 HydrophobicContact CE1-CE2 4.07Å; Y309-Y319 HydrophobicContact CE2-CE2 4.42Å; Y309-Y319 AromaticContact CZ-CE2 3.73Å; Y309-Y319 WeakPolarHBondContact OH-CE2 3.42Å; Y309-T331 PolarHBondContact N-OG1 2.87Å; Y309-H333 PolarHBondContact N-O 3.38Å; Y309-Y334 AromaticContact CD1-CD2 3.81Å; Y309-Y334 HydrophobicContact CD1-CD2 3.81Å; Y309-Y334 AromaticContact CD1-CE2 3.42Å; Y309-Y334 HydrophobicContact CD1-CE2 3.42Å; Y309-Y334 VanDerWaalsContact CD1-CE2 3.42Å; Y309-Y334 AromaticContact CE1-CE2 3.9Å; Y309-Y334 HydrophobicContact CE1-CE2 3.9Å; Y309-Y334 WeakPolarHBondContact O-CA 3.38Å; Y309-Y334 WeakPolarHBondContact O-CD2 3.17Å; Y309-L335 PolarHBondContact O-N 3.44Å; Y309-L335 VanDerWaalsContact O-N 3.17Å; Y309-F383 CarbonylContact C-O 3.54Å; Y309-F383 WeakPolarHBondContact CA-O 3.14Å; Y309-F383 HydrophobicContact CD2-CB 4.13Å; Y309-F383 AromaticContact CD2-CD1 3.86Å; Y309-F383 HydrophobicContact CD2-CD1 3.86Å; Y309-F383 HydrophobicContact CD2-CG 4.32Å; Y309-F383 AromaticContact CE2-CD1 3.75Å; Y309-F383 HydrophobicContact CE2-CD1 3.75Å; Y309-F383 HydrophobicContact CE2-CE1 4.34Å
310A98.5Very high95.5Very high0 Ų020.5 Ų20.50%011%0.11CC..EExtended strand (participates in β ladder)trans-136.6121.6-174.600000110.5L308 L335 H363 F383 Q384 I385L308-A310 HydrophobicContact CD2-CB 3.78Å; A310-L335 HydrophobicContact CB-CB 3.64Å; A310-L335 HydrophobicContact CB-CD2 3.86Å; A310-L335 HydrophobicContact CB-CG 4.42Å; A310-H363 WeakPolarHBondContact CB-NE2 3.48Å; A310-F383 PolarHBondContact N-O 2.87Å; A310-Q384 HydrophobicContact CB-CB 4.31Å; A310-Q384 HydrophobicContact CB-CG 4.16Å; A310-Q384 CarbonylContact O-C 3.6Å; A310-Q384 WeakPolarHBondContact O-CA 2.93Å; A310-I385 PolarHBondContact O-N 3.38Å
311E97.3Very high95.5Very high4 Ų427.5 Ų27.52%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-145.6131.6179.8178.9176.2-162.500107.3Y309 T318 I385 V387Y309-E311 HydrophobicContact CE1-CB 4.24Å; Y309-E311 PolarHBondContact OH-OE2 2.84Å; E311-T318 VanDerWaalsContact OE1-CB 3.25Å; E311-T318 WeakPolarHBondContact OE1-CB 3.49Å; E311-T318 PolarHBondContact OE1-N 2.88Å; E311-T318 PolarHBondContact OE1-OG1 2.74Å; E311-I385 HydrophobicContact CB-CG2 3.93Å; E311-I385 HydrophobicContact CG-CG2 3.9Å; E311-V387 HydrophobicContact CG-CG2 4.18Å
312D95.2Very high95.6Very high9 Ų928.7 Ų28.75%0.04814%0.14CC..  trans-92.1-172.7176.859.623000111.5Y339 H363 V387 G388D312-Y339 HydrophobicContact CB-CD1 4.23Å; D312-Y339 HydrophobicContact CB-CD2 3.82Å; D312-Y339 HydrophobicContact CB-CE1 3.94Å; D312-Y339 HydrophobicContact CB-CE2 3.5Å; D312-Y339 VanDerWaalsContact CB-CE2 3.5Å; D312-Y339 HydrophobicContact CB-CG 4.17Å; D312-H363 IonicContact OD2-CE1 2.6Å; D312-H363 IonicContact OD2-ND1 3.12Å; D312-H363 PolarHBondContact OD2-ND1 3.42Å; D312-V387 VanDerWaalsContact OD1-CA 3.29Å; D312-V387 WeakPolarHBondContact OD1-CA 3.29Å; D312-V387 WeakPolarHBondContact OD1-CB 3.33Å; D312-V387 PolarHBondContact OD1-N 2.87Å; D312-G388 PolarHBondContact OD1-N 2.81Å; D312-G388 VanDerWaalsContact OD1-N 3.07Å
313V94.5Very high95.8Very high6 Ų621.6 Ų21.64%0.03611%0.107CC..  trans46.669.5-177.6-159.10000114.8T315 I316 G317 Y349 V387V313-T315 WeakPolarHBondContact CG1-OG1 3.36Å; V313-T315 PolarHBondContact O-N 3.23Å; V313-I316 HydrophobicContact CB-CD1 4.45Å; V313-I316 HydrophobicContact CB-CG1 3.98Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.5Å; V313-I316 VanDerWaalsContact CG1-CG1 3.5Å; V313-I316 PolarHBondContact O-N 3.27Å; V313-G317 PolarHBondContact O-N 3.03Å; V313-Y349 HydrophobicContact CG1-CE1 4.26Å; V313-Y349 HydrophobicContact CG1-CE2 4.06Å; V313-V387 HydrophobicContact CB-CB 4.49Å; V313-V387 HydrophobicContact CB-CG1 4.46Å; V313-V387 HydrophobicContact CG2-CB 4.2Å; V313-V387 HydrophobicContact CG2-CG1 4.37Å
314P94.8Very high96.1Very high7 Ų722.7 Ų22.75%0.04511%0.11CC..G310 helixtrans-55.5-25.6-172.5-25.228000116.6I316 R336 L340 Q343P314-I316 VanDerWaalsContact C-N 3.34Å; P314-R336 PolarHBondContact O-NH1 3Å; P314-R336 VanDerWaalsContact O-NH1 3.14Å; P314-R336 PolarHBondContact O-NH2 3.31Å; P314-L340 HydrophobicContact CB-CB 4.41Å; P314-L340 HydrophobicContact CB-CD1 4.05Å; P314-L340 HydrophobicContact CG-CB 4.22Å; P314-Q343 VanDerWaalsContact CB-OE1 3.28Å; P314-Q343 VanDerWaalsContact CG-OE1 3.26Å
315T92.6Very high96.4Very high68 Ų6821.7 Ų21.742%0.41710%0.099SC..G310 helixtrans-66.2-27.5179.440.90000114.3V313 Q343 Y349V313-T315 WeakPolarHBondContact CG1-OG1 3.36Å; V313-T315 PolarHBondContact O-N 3.23Å; T315-Q343 PolarHBondContact OG1-NE2 3.31Å; T315-Y349 HydrophobicContact CG2-CD2 4.08Å; T315-Y349 HydrophobicContact CG2-CE2 4.41Å; T315-Y349 WeakPolarHBondContact OG1-CD2 3.35Å; T315-Y349 WeakPolarHBondContact OG1-CE2 3.45Å
316I93.8Very high96.5Very high40 Ų4021.8 Ų21.821%0.20510%0.1CC..G310 helixtrans-121.919.6177.755.3161.4000112.8V313 P314 Y321 Y349 V387V313-I316 HydrophobicContact CB-CD1 4.45Å; V313-I316 HydrophobicContact CB-CG1 3.98Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.5Å; V313-I316 VanDerWaalsContact CG1-CG1 3.5Å; V313-I316 PolarHBondContact O-N 3.27Å; P314-I316 VanDerWaalsContact C-N 3.34Å; I316-Y321 HydrophobicContact CG2-CD2 4.23Å; I316-Y321 HydrophobicContact CG2-CE2 4.32Å; I316-Y349 VanDerWaalsContact CD1-OH 3.26Å; I316-Y349 WeakPolarHBondContact CD1-OH 3.49Å; I316-Y349 HydrophobicContact CG2-CE2 4.37Å; I316-V387 HydrophobicContact CD1-CG1 3.69Å; I316-V387 HydrophobicContact CG1-CG1 4.35Å
317G95.5Very high96.6Very high1 Ų127.1 Ų27.11%0.0112%0.123CC..  trans-56.5145.1-176.200000114.3V313 Y319 T320 Y321V313-G317 PolarHBondContact O-N 3.03Å; G317-Y319 VanDerWaalsContact C-N 3.27Å; G317-Y319 PolarHBondContact O-N 2.79Å; G317-Y319 VanDerWaalsContact O-N 3.15Å; G317-T320 PolarHBondContact O-N 3.3Å; G317-T320 VanDerWaalsContact O-N 3.09Å; G317-T320 PolarHBondContact O-OG1 2.81Å; G317-Y321 WeakPolarHBondContact O-CB 3.43Å; G317-Y321 PolarHBondContact O-N 3.49Å
318T97.2Very high96.5Very high7 Ų732.7 Ų32.74%0.04315%0.148CC..THydrogen-bonded Turntrans-49.7-45.5-172.5-63.80000112.5T261 P262 L265 E311T261-T318 HydrophobicContact CG2-CG2 4.23Å; T261-T318 WeakPolarHBondContact CG2-OG1 3.46Å; P262-T318 HydrophobicContact CB-CG2 4.28Å; P262-T318 HydrophobicContact CG-CG2 3.95Å; L265-T318 HydrophobicContact CB-CG2 4.38Å; L265-T318 HydrophobicContact CD1-CG2 4.07Å; L265-T318 HydrophobicContact CG-CG2 4.48Å; E311-T318 VanDerWaalsContact OE1-CB 3.25Å; E311-T318 WeakPolarHBondContact OE1-CB 3.49Å; E311-T318 PolarHBondContact OE1-N 2.88Å; E311-T318 PolarHBondContact OE1-OG1 2.74Å
319Y97.6Very high96.5Very high2 Ų236.3 Ų36.31%0.00817%0.166CC..THydrogen-bonded Turntrans-101.92-174.8-53.2-58000114.3L266 L269 F295 Y309 G317 L323 G325 F326L266-Y319 HydrophobicContact CD2-CD1 4.37Å; L266-Y319 HydrophobicContact CD2-CE1 3.55Å; L266-Y319 HydrophobicContact CG-CE1 4.02Å; L269-Y319 WeakPolarHBondContact CD1-OH 3.06Å; F295-Y319 HydrophobicContact CE1-CE1 4.22Å; F295-Y319 HydrophobicContact CE1-CE2 4.45Å; F295-Y319 AromaticContact CE1-CZ 3.9Å; F295-Y319 HydrophobicContact CZ-CE1 4.21Å; F295-Y319 HydrophobicContact CZ-CE2 4.48Å; Y309-Y319 HydrophobicContact CE1-CD2 4.24Å; Y309-Y319 HydrophobicContact CE1-CE2 4.07Å; Y309-Y319 HydrophobicContact CE2-CE2 4.42Å; Y309-Y319 AromaticContact CZ-CE2 3.73Å; Y309-Y319 WeakPolarHBondContact OH-CE2 3.42Å; G317-Y319 VanDerWaalsContact C-N 3.27Å; G317-Y319 PolarHBondContact O-N 2.79Å; G317-Y319 VanDerWaalsContact O-N 3.15Å; Y319-L323 HydrophobicContact CD1-CD1 4.23Å; Y319-L323 CarbonylContact O-C 3.37Å; Y319-L323 VanDerWaalsContact O-CB 3.3Å; Y319-L323 WeakPolarHBondContact O-CB 3.31Å; Y319-G325 WeakPolarHBondContact O-CA 3.34Å; Y319-G325 PolarHBondContact O-N 2.64Å; Y319-F326 AromaticContact CD2-CE2 3.57Å; Y319-F326 HydrophobicContact CD2-CE2 3.57Å; Y319-F326 AromaticContact CD2-CZ 3.99Å; Y319-F326 HydrophobicContact CD2-CZ 3.99Å; Y319-F326 HydrophobicContact CE2-CE2 4.26Å; Y319-F326 HydrophobicContact CE2-CZ 4.34Å; Y319-F326 HydrophobicContact CG-CE2 4.11Å; Y319-F326 HydrophobicContact CG-CZ 4.45Å
320T96.5Very high96.4Very high5 Ų537.3 Ų37.33%0.03117%0.172CC..THydrogen-bonded Turntrans-123.3-22.6-172.454.20000113.5D155 F156 R282 G317 L323 R336D155-T320 HydrophobicContact CB-CG2 3.69Å; D155-T320 WeakPolarHBondContact OD2-CG2 3.31Å; F156-T320 HydrophobicContact CE1-CG2 4.35Å; F156-T320 HydrophobicContact CZ-CG2 4.3Å; R282-T320 PolarHBondContact NH1-O 2.62Å; G317-T320 PolarHBondContact O-N 3.3Å; G317-T320 VanDerWaalsContact O-N 3.09Å; G317-T320 PolarHBondContact O-OG1 2.81Å; T320-L323 CarbonylContact C-O 3.54Å; T320-R336 PolarHBondContact OG1-NH1 2.95Å; T320-R336 PolarHBondContact OG1-NH2 2.92Å
321Y95.4Very high96.4Very high148 Ų14837.8 Ų37.858%0.5818%0.175SC*.SBendtrans-63.8-59.3178.2-176-114.9000111.6I316 G317I316-Y321 HydrophobicContact CG2-CD2 4.23Å; I316-Y321 HydrophobicContact CG2-CE2 4.32Å; G317-Y321 WeakPolarHBondContact O-CB 3.43Å; G317-Y321 PolarHBondContact O-N 3.49Å
322R96.2Very high96.4Very high96 Ų9638.5 Ų38.536%0.36218%0.179SC..SBendtrans-101.7-24.5177.3-65.8-174.7-63.5101.8-4.5114E274 R281 R282E274-R322 IonicContact OE1-NH1 2.66Å; E274-R322 PolarHBondContact OE1-NH1 3.12Å; E274-R322 IonicContact OE2-CZ 3.17Å; E274-R322 IonicContact OE2-NH1 3.9Å; E274-R322 PolarHBondContact OE2-NH1 3.42Å; E274-R322 IonicContact OE2-NH2 2.9Å; E274-R322 PolarHBondContact OE2-NH2 2.92Å; R281-R322 WeakPolarHBondContact CA-O 3.49Å; R282-R322 PolarHBondContact N-O 2.84Å
323L97Very high96.6Very high0 Ų038.1 Ų38.10%018%0.177CC..BIsolated β-bridgetrans-102.1164.8-174.1-40.9179.9000110.7T280 R281 R282 V290 Y293 Y319 T320 G325T280-L323 CarbonylContact O-C 3.52Å; T280-L323 WeakPolarHBondContact O-CA 3.45Å; R281-L323 HydrophobicContact CB-CD2 4.41Å; R281-L323 HydrophobicContact CG-CD2 3.64Å; R282-L323 VanDerWaalsContact CD-O 3.23Å; R282-L323 WeakPolarHBondContact CD-O 3.43Å; R282-L323 VanDerWaalsContact CG-O 3.28Å; R282-L323 WeakPolarHBondContact CG-O 3.3Å; V290-L323 HydrophobicContact CG1-CB 3.89Å; V290-L323 HydrophobicContact CG1-CD1 3.94Å; Y293-L323 HydrophobicContact CE2-CD1 4.45Å; Y319-L323 HydrophobicContact CD1-CD1 4.23Å; Y319-L323 CarbonylContact O-C 3.37Å; Y319-L323 VanDerWaalsContact O-CB 3.3Å; Y319-L323 WeakPolarHBondContact O-CB 3.31Å; T320-L323 CarbonylContact C-O 3.54Å; L323-G325 PolarHBondContact O-N 2.76Å; L323-G325 VanDerWaalsContact O-N 3.15Å
324K97Very high96.8Very high58 Ų5838 Ų3825%0.25218%0.175SC..  trans-69.5-1.9-175.6-88.6-171.1156.9-172.10115F156 T280 R282 A287 S288 F289F156-K324 VanDerWaalsContact CE2-O 3.31Å; F156-K324 WeakPolarHBondContact CE2-O 3.44Å; T280-K324 PolarHBondContact O-N 3.39Å; R282-K324 HydrophobicContact CG-CG 4.23Å; A287-K324 HydrophobicContact CB-CD 3.97Å; A287-K324 WeakPolarHBondContact O-CD 3.36Å; A287-K324 WeakPolarHBondContact O-CE 3.49Å; A287-K324 PolarHBondContact O-NZ 2.98Å; S288-K324 VanDerWaalsContact O-CD 3.31Å; S288-K324 WeakPolarHBondContact O-CD 3.34Å; F289-K324 HydrophobicContact CD1-CB 4.03Å; F289-K324 WeakPolarHBondContact CD1-O 3.34Å; F289-K324 HydrophobicContact CG-CB 4.44Å
325G97.8Very high96.9Very high0 Ų037.6 Ų37.60%017%0.173CC..  trans67.2-178.1-172.800000112.9D155 F289 V290 Y319 L323D155-G325 WeakPolarHBondContact OD2-CA 3.49Å; F289-G325 WeakPolarHBondContact CB-O 3.21Å; V290-G325 VanDerWaalsContact CG2-O 3.24Å; V290-G325 WeakPolarHBondContact CG2-O 3.34Å; V290-G325 PolarHBondContact N-O 2.81Å; Y319-G325 WeakPolarHBondContact O-CA 3.34Å; Y319-G325 PolarHBondContact O-N 2.64Å; L323-G325 PolarHBondContact O-N 2.76Å; L323-G325 VanDerWaalsContact O-N 3.15Å
326F98.2Very high97.1Very high4 Ų434.7 Ų34.72%0.01816%0.155CC..  trans-82134.3171.3-65.7-77.6000110.7D155 V290 D291 F295 W297 Y319 E328 P330D155-F326 WeakPolarHBondContact CB-O 3.41Å; D155-F326 VanDerWaalsContact CG-N 3.28Å; D155-F326 PolarHBondContact N-O 2.9Å; D155-F326 VanDerWaalsContact OD2-CD2 3.3Å; D155-F326 WeakPolarHBondContact OD2-CD2 3.39Å; D155-F326 PolarHBondContact OD2-N 2.77Å; V290-F326 HydrophobicContact CB-CE1 4.43Å; V290-F326 HydrophobicContact CG2-CB 4.37Å; V290-F326 HydrophobicContact CG2-CD1 3.4Å; V290-F326 HydrophobicContact CG2-CD2 3.83Å; V290-F326 HydrophobicContact CG2-CE1 3.45Å; V290-F326 VanDerWaalsContact CG2-CE1 3.45Å; V290-F326 HydrophobicContact CG2-CE2 3.87Å; V290-F326 HydrophobicContact CG2-CG 3.59Å; V290-F326 HydrophobicContact CG2-CZ 3.68Å; D291-F326 WeakPolarHBondContact OD2-CA 3.44Å; F295-F326 HydrophobicContact CD2-CE1 4.06Å; F295-F326 HydrophobicContact CD2-CZ 4.4Å; F295-F326 AromaticContact CE2-CE1 3.38Å; F295-F326 HydrophobicContact CE2-CE1 3.38Å; F295-F326 AromaticContact CE2-CZ 3.59Å; F295-F326 HydrophobicContact CE2-CZ 3.59Å; F295-F326 HydrophobicContact CZ-CE1 4Å; F295-F326 AromaticContact CZ-CZ 3.72Å; F295-F326 HydrophobicContact CZ-CZ 3.72Å; W297-F326 HydrophobicContact CH2-CZ 4.21Å; W297-F326 HydrophobicContact CZ2-CE1 4.15Å; W297-F326 AromaticContact CZ2-CZ 3.83Å; W297-F326 HydrophobicContact CZ2-CZ 3.83Å; Y319-F326 AromaticContact CD2-CE2 3.57Å; Y319-F326 HydrophobicContact CD2-CE2 3.57Å; Y319-F326 AromaticContact CD2-CZ 3.99Å; Y319-F326 HydrophobicContact CD2-CZ 3.99Å; Y319-F326 HydrophobicContact CE2-CE2 4.26Å; Y319-F326 HydrophobicContact CE2-CZ 4.34Å; Y319-F326 HydrophobicContact CG-CE2 4.11Å; Y319-F326 HydrophobicContact CG-CZ 4.45Å; F326-E328 WeakPolarHBondContact CB-O 3.4Å; F326-P330 HydrophobicContact CD1-CB 3.71Å; F326-P330 HydrophobicContact CD1-CG 4.26Å; F326-P330 HydrophobicContact CD2-CB 4.17Å; F326-P330 HydrophobicContact CD2-CG 3.88Å; F326-P330 HydrophobicContact CE1-CB 3.57Å; F326-P330 HydrophobicContact CE1-CG 4.33Å; F326-P330 HydrophobicContact CE2-CB 4.05Å; F326-P330 HydrophobicContact CE2-CG 3.96Å; F326-P330 HydrophobicContact CG-CB 4.02Å; F326-P330 HydrophobicContact CG-CG 4.04Å; F326-P330 HydrophobicContact CZ-CB 3.76Å; F326-P330 HydrophobicContact CZ-CG 4.2Å
327K97.3Very high97.3Very high112 Ų11233 Ų3349%0.48715%0.146SC..SBendtrans-82.8-44.2169.3-172.1-176.6174.9-165.20110.7F289 D291F289-K327 HydrophobicContact CB-CB 4.13Å; F289-K327 HydrophobicContact CD1-CB 3.89Å; F289-K327 HydrophobicContact CD2-CB 4.06Å; F289-K327 HydrophobicContact CD2-CD 4.2Å; F289-K327 HydrophobicContact CE1-CB 4.28Å; F289-K327 HydrophobicContact CE2-CB 4.44Å; F289-K327 HydrophobicContact CE2-CD 4.14Å; F289-K327 HydrophobicContact CE2-CG 4.48Å; F289-K327 HydrophobicContact CG-CB 3.78Å; D291-K327 PolarHBondContact OD1-N 2.95Å; D291-K327 PolarHBondContact OD2-N 2.81Å
328E97.7Very high97.5Very high119 Ų11933 Ų3356%0.55615%0.146SC*.SBendtrans-104.8153.4175.6-54.7-58.6149.100110.4D291 F326D291-E328 PolarHBondContact OD1-N 2.82Å; F326-E328 WeakPolarHBondContact CB-O 3.4Å
329Q97.6Very high97.4Very high77 Ų7733 Ų3336%0.3615%0.145SC..  trans-60.1124.2179-166.2179-77.800110.4F152 T331 D332 Y334F152-Q329 HydrophobicContact CB-CG 4.5Å; F152-Q329 HydrophobicContact CD1-CB 3.9Å; F152-Q329 HydrophobicContact CE1-CB 4.2Å; F152-Q329 HydrophobicContact CG-CB 4.14Å; F152-Q329 HydrophobicContact CG-CG 4.31Å; Q329-T331 WeakPolarHBondContact CG-O 3.19Å; Q329-T331 PolarHBondContact NE2-O 3.31Å; Q329-T331 PolarHBondContact O-N 3.18Å; Q329-D332 PolarHBondContact NE2-O 3.38Å; Q329-Y334 HydrophobicContact CG-CD1 4.07Å; Q329-Y334 HydrophobicContact CG-CG 4.35Å
330P97.9Very high97.4Very high21 Ų2134.2 Ų34.214%0.13615%0.151CC..SBendtrans-74.3-25.7-168.126.2-35000115W297 F326 Y334W297-P330 HydrophobicContact CZ2-CB 4.04Å; W297-P330 PolarHBondContact NE1-O 3.03Å; F326-P330 HydrophobicContact CD1-CB 3.71Å; F326-P330 HydrophobicContact CD1-CG 4.26Å; F326-P330 HydrophobicContact CD2-CB 4.17Å; F326-P330 HydrophobicContact CD2-CG 3.88Å; F326-P330 HydrophobicContact CE1-CB 3.57Å; F326-P330 HydrophobicContact CE1-CG 4.33Å; F326-P330 HydrophobicContact CE2-CB 4.05Å; F326-P330 HydrophobicContact CE2-CG 3.96Å; F326-P330 HydrophobicContact CG-CB 4.02Å; F326-P330 HydrophobicContact CG-CG 4.04Å; F326-P330 HydrophobicContact CZ-CB 3.76Å; F326-P330 HydrophobicContact CZ-CG 4.2Å; P330-Y334 HydrophobicContact CG-CD1 4.13Å; P330-Y334 HydrophobicContact CG-CD2 4.04Å; P330-Y334 HydrophobicContact CG-CE1 4.09Å; P330-Y334 HydrophobicContact CG-CE2 4.08Å; P330-Y334 HydrophobicContact CG-CG 4.06Å
331T98.1Very high97.4Very high9 Ų934.7 Ų34.76%0.05515%0.153CC..SBendtrans-140.6167.6-174.349.60000109.8W297 T307 Y309 Q329 H333W297-T331 HydrophobicContact CB-CG2 4.28Å; W297-T331 HydrophobicContact CD2-CG2 4.07Å; W297-T331 HydrophobicContact CG-CG2 3.93Å; T307-T331 WeakPolarHBondContact OG1-CA 3.38Å; T307-T331 WeakPolarHBondContact OG1-CB 3.26Å; Y309-T331 PolarHBondContact N-OG1 2.87Å; Q329-T331 WeakPolarHBondContact CG-O 3.19Å; Q329-T331 PolarHBondContact NE2-O 3.31Å; Q329-T331 PolarHBondContact O-N 3.18Å; T331-H333 PolarHBondContact O-N 3.34Å; T331-H333 PolarHBondContact OG1-O 3.43Å
332D97.2Very high97.5Very high20 Ų2027.7 Ų27.711%0.10713%0.126CC..SBendtrans-62.4-35.1179.1-56.9-72.6000112.6K199 M202 K301 T307 Q329K199-D332 WeakPolarHBondContact CE-O 3.47Å; K199-D332 HydrophobicContact CG-CB 4.36Å; M202-D332 HydrophobicContact CE-CB 4.15Å; M202-D332 VanDerWaalsContact CE-OD1 3.24Å; M202-D332 WeakPolarHBondContact CE-OD1 3.5Å; M202-D332 WeakPolarHBondContact CE-OD2 3.2Å; K301-D332 IonicContact NZ-OD1 2.79Å; K301-D332 PolarHBondContact NZ-OD1 2.85Å; K301-D332 IonicContact NZ-OD2 3.65Å; T307-D332 PolarHBondContact N-OD2 3.47Å; T307-D332 WeakPolarHBondContact O-CB 3.48Å; T307-D332 PolarHBondContact O-N 2.69Å; T307-D332 PolarHBondContact OG1-N 3.37Å; T307-D332 PolarHBondContact OG1-OD2 3.2Å; Q329-D332 PolarHBondContact NE2-O 3.38Å
333H98.4Very high97.4Very high0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans-124.8121.6-179.2-61.8-67.2000108.7D175 I196 V197 T307 L308 Y309 T331 Y366 F370 Y374D175-H333 IonicContact OD1-CE1 2.81Å; D175-H333 IonicContact OD1-ND1 3.29Å; D175-H333 IonicContact OD2-CE1 3.38Å; D175-H333 IonicContact OD2-CG 2.83Å; D175-H333 IonicContact OD2-ND1 2.98Å; D175-H333 PolarHBondContact OD2-ND1 3.42Å; I196-H333 HydrophobicContact CD1-CB 4Å; V197-H333 PolarHBondContact O-CE1 2.97Å; T307-H333 PolarHBondContact O-N 2.76Å; L308-H333 WeakPolarHBondContact CA-O 3.21Å; L308-H333 HydrophobicContact CB-CB 4.01Å; L308-H333 HydrophobicContact CD1-CB 3.96Å; L308-H333 HydrophobicContact CG-CB 3.9Å; Y309-H333 PolarHBondContact N-O 3.38Å; T331-H333 PolarHBondContact O-N 3.34Å; T331-H333 PolarHBondContact OG1-O 3.43Å; H333-Y366 HydrophobicContact CB-CE1 4.34Å; H333-Y366 WeakPolarHBondContact CB-OH 3.25Å; H333-F370 AromaticContact CD2-CD2 3.72Å; H333-F370 AromaticContact CD2-CE2 3.5Å; H333-Y374 AromaticContact NE2-CE2 3.3Å; H333-Y374 VanDerWaalsContact NE2-CE2 3.3Å; H333-Y374 WeakPolarHBondContact NE2-CE2 3.16Å; H333-Y374 AromaticContact NE2-CZ 3.45Å; H333-Y374 PolarHBondContact NE2-OH 3.12Å
334Y98.4Very high97.3Very high3 Ų329 Ų291%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-137.695.7-172.3-176.5-142.5000112.2F152 D155 F176 Y309 Q329 P330 R336 T337F152-Y334 AromaticContact CD2-CD1 3.85Å; F152-Y334 HydrophobicContact CD2-CD1 3.85Å; F152-Y334 AromaticContact CD2-CE1 3.99Å; F152-Y334 HydrophobicContact CD2-CE1 3.99Å; F152-Y334 HydrophobicContact CE2-CD1 4.01Å; F152-Y334 AromaticContact CE2-CE1 3.71Å; F152-Y334 HydrophobicContact CE2-CE1 3.71Å; D155-Y334 WeakPolarHBondContact OD1-CE1 3.49Å; D155-Y334 PolarHBondContact OD1-OH 3.02Å; F176-Y334 WeakPolarHBondContact CE2-O 3.5Å; F176-Y334 WeakPolarHBondContact CZ-O 3.48Å; Y309-Y334 AromaticContact CD1-CD2 3.81Å; Y309-Y334 HydrophobicContact CD1-CD2 3.81Å; Y309-Y334 AromaticContact CD1-CE2 3.42Å; Y309-Y334 HydrophobicContact CD1-CE2 3.42Å; Y309-Y334 VanDerWaalsContact CD1-CE2 3.42Å; Y309-Y334 AromaticContact CE1-CE2 3.9Å; Y309-Y334 HydrophobicContact CE1-CE2 3.9Å; Y309-Y334 WeakPolarHBondContact O-CA 3.38Å; Y309-Y334 WeakPolarHBondContact O-CD2 3.17Å; Q329-Y334 HydrophobicContact CG-CD1 4.07Å; Q329-Y334 HydrophobicContact CG-CG 4.35Å; P330-Y334 HydrophobicContact CG-CD1 4.13Å; P330-Y334 HydrophobicContact CG-CD2 4.04Å; P330-Y334 HydrophobicContact CG-CE1 4.09Å; P330-Y334 HydrophobicContact CG-CE2 4.08Å; P330-Y334 HydrophobicContact CG-CG 4.06Å; Y334-R336 HydrophobicContact CD1-CB 4.34Å; Y334-R336 HydrophobicContact CD2-CB 4.04Å; Y334-R336 HydrophobicContact CE1-CB 3.87Å; Y334-R336 HydrophobicContact CE1-CG 4.48Å; Y334-R336 HydrophobicContact CE2-CB 3.46Å; Y334-R336 VanDerWaalsContact CE2-CB 3.46Å; Y334-R336 HydrophobicContact CE2-CG 4.5Å; Y334-R336 HydrophobicContact CG-CB 4.46Å; Y334-R336 VanDerWaalsContact CZ-CB 3.44Å; Y334-R336 PolarHBondContact O-N 3.21Å; Y334-R336 WeakPolarHBondContact OH-CD 3.42Å; Y334-T337 PolarHBondContact O-N 3.41Å; Y334-T337 PolarHBondContact O-OG1 3.14Å
335L98Very high97.3Very high0 Ų028.6 Ų28.60%014%0.136CC..THydrogen-bonded Turntrans-67.7-20.2-168.8-168.661.3000113.8F176 A194 Y309 A310 T337 F338 Y339 H363 Y366F176-L335 HydrophobicContact CE1-CD1 3.67Å; F176-L335 HydrophobicContact CZ-CD1 4.25Å; A194-L335 HydrophobicContact CB-CD1 4.11Å; Y309-L335 PolarHBondContact O-N 3.44Å; Y309-L335 VanDerWaalsContact O-N 3.17Å; A310-L335 HydrophobicContact CB-CB 3.64Å; A310-L335 HydrophobicContact CB-CD2 3.86Å; A310-L335 HydrophobicContact CB-CG 4.42Å; L335-T337 PolarHBondContact O-N 3.01Å; L335-T337 VanDerWaalsContact O-N 3.1Å; L335-F338 HydrophobicContact CD1-CB 3.87Å; L335-F338 HydrophobicContact CD1-CD1 4.23Å; L335-F338 HydrophobicContact CD1-CG 4.23Å; L335-F338 VanDerWaalsContact O-CB 3.26Å; L335-F338 WeakPolarHBondContact O-CB 3.37Å; L335-F338 PolarHBondContact O-N 3.43Å; L335-Y339 HydrophobicContact CD2-CD2 4.4Å; L335-Y339 HydrophobicContact CD2-CE2 3.59Å; L335-Y339 HydrophobicContact CG-CD2 4.04Å; L335-Y339 HydrophobicContact CG-CE2 3.7Å; L335-Y339 PolarHBondContact O-N 3.07Å; L335-H363 HydrophobicContact CD2-CB 4.48Å; L335-H363 WeakPolarHBondContact CD2-CD2 3.23Å; L335-Y366 HydrophobicContact CB-CD1 3.95Å; L335-Y366 HydrophobicContact CB-CE1 3.81Å; L335-Y366 HydrophobicContact CD1-CD1 3.78Å; L335-Y366 HydrophobicContact CD1-CD2 4.07Å; L335-Y366 HydrophobicContact CD1-CE1 4Å; L335-Y366 HydrophobicContact CD1-CE2 4.28Å; L335-Y366 HydrophobicContact CD1-CG 3.81Å; L335-Y366 HydrophobicContact CD2-CD1 3.97Å; L335-Y366 HydrophobicContact CD2-CG 4.34Å; L335-Y366 HydrophobicContact CG-CD1 4.11Å; L335-Y366 HydrophobicContact CG-CE1 4.35Å
336R97.3Very high97.1Very high7 Ų730.8 Ų30.83%0.02615%0.15CC..Hα-helixtrans-51.3-38.8176.5-179.2-175.2177.1717.7112.2D155 P314 T320 Y334 F338 Y339 L340D155-R336 PolarHBondContact O-NE 2.78Å; D155-R336 PolarHBondContact O-NH2 3.17Å; D155-R336 IonicContact OD1-NE 3.91Å; P314-R336 PolarHBondContact O-NH1 3Å; P314-R336 VanDerWaalsContact O-NH1 3.14Å; P314-R336 PolarHBondContact O-NH2 3.31Å; T320-R336 PolarHBondContact OG1-NH1 2.95Å; T320-R336 PolarHBondContact OG1-NH2 2.92Å; Y334-R336 HydrophobicContact CD1-CB 4.34Å; Y334-R336 HydrophobicContact CD2-CB 4.04Å; Y334-R336 HydrophobicContact CE1-CB 3.87Å; Y334-R336 HydrophobicContact CE1-CG 4.48Å; Y334-R336 HydrophobicContact CE2-CB 3.46Å; Y334-R336 VanDerWaalsContact CE2-CB 3.46Å; Y334-R336 HydrophobicContact CE2-CG 4.5Å; Y334-R336 HydrophobicContact CG-CB 4.46Å; Y334-R336 VanDerWaalsContact CZ-CB 3.44Å; Y334-R336 PolarHBondContact O-N 3.21Å; Y334-R336 WeakPolarHBondContact OH-CD 3.42Å; R336-F338 PolarHBondContact O-N 3.41Å; R336-Y339 PolarHBondContact O-N 2.67Å; R336-L340 VanDerWaalsContact O-CB 3.32Å; R336-L340 WeakPolarHBondContact O-CB 3.08Å; R336-L340 PolarHBondContact O-N 2.82Å
337T97.9Very high96.8Very high3 Ų338.4 Ų38.42%0.01819%0.185CC..Hα-helixtrans-55.6-40.8179.6-51.30000111.7I150 F152 V158 F176 Y334 L335 K341I150-T337 HydrophobicContact CG2-CG2 4.08Å; F152-T337 HydrophobicContact CB-CG2 4.38Å; V158-T337 HydrophobicContact CG1-CG2 3.86Å; F176-T337 HydrophobicContact CD2-CG2 3.93Å; F176-T337 HydrophobicContact CE2-CG2 4.24Å; Y334-T337 PolarHBondContact O-N 3.41Å; Y334-T337 PolarHBondContact O-OG1 3.14Å; L335-T337 PolarHBondContact O-N 3.01Å; L335-T337 VanDerWaalsContact O-N 3.1Å; T337-K341 PolarHBondContact O-N 3.41Å
338F98Very high96.4Very high1 Ų138 Ų380%0.00419%0.185CC..Hα-helixtrans-62.2-55.6176.5174.3-103000111.6F176 A194 L335 R336 L340 K341 V342 L354 L359 V362F176-F338 HydrophobicContact CB-CD2 4.37Å; F176-F338 HydrophobicContact CD1-CB 3.61Å; F176-F338 HydrophobicContact CD1-CD2 4.05Å; F176-F338 HydrophobicContact CD1-CG 4.2Å; F176-F338 HydrophobicContact CD2-CB 4.47Å; F176-F338 HydrophobicContact CE1-CB 3.86Å; F176-F338 HydrophobicContact CG-CB 3.93Å; F176-F338 HydrophobicContact CG-CD2 4.46Å; F176-F338 HydrophobicContact CZ-CB 4.4Å; A194-F338 HydrophobicContact CB-CD2 4.01Å; A194-F338 HydrophobicContact CB-CE2 4.11Å; A194-F338 HydrophobicContact CB-CG 4.32Å; L335-F338 HydrophobicContact CD1-CB 3.87Å; L335-F338 HydrophobicContact CD1-CD1 4.23Å; L335-F338 HydrophobicContact CD1-CG 4.23Å; L335-F338 VanDerWaalsContact O-CB 3.26Å; L335-F338 WeakPolarHBondContact O-CB 3.37Å; L335-F338 PolarHBondContact O-N 3.43Å; R336-F338 PolarHBondContact O-N 3.41Å; F338-L340 VanDerWaalsContact C-N 3.27Å; F338-L340 PolarHBondContact O-N 3.13Å; F338-K341 PolarHBondContact O-N 3.39Å; F338-K341 VanDerWaalsContact O-N 3.12Å; F338-V342 HydrophobicContact CD1-CG2 4.4Å; F338-V342 HydrophobicContact CE1-CG2 4.09Å; F338-V342 HydrophobicContact CE2-CG2 4.35Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.44Å; F338-V342 PolarHBondContact O-N 3.28Å; F338-L354 HydrophobicContact CE1-CD1 3.81Å; F338-L354 HydrophobicContact CE2-CD1 4.44Å; F338-L354 HydrophobicContact CZ-CD1 3.34Å; F338-L359 HydrophobicContact CE1-CD2 4.07Å; F338-V362 HydrophobicContact CE1-CG1 3.87Å; F338-V362 HydrophobicContact CZ-CG1 3.96Å
339Y97Very high95.9Very high9 Ų937 Ų374%0.03518%0.177CC..Hα-helixtrans-63.1-35.5-177.9-74.1-68.5000112.5D312 L335 R336 K341 V342 Q343 L359 H363D312-Y339 HydrophobicContact CB-CD1 4.23Å; D312-Y339 HydrophobicContact CB-CD2 3.82Å; D312-Y339 HydrophobicContact CB-CE1 3.94Å; D312-Y339 HydrophobicContact CB-CE2 3.5Å; D312-Y339 VanDerWaalsContact CB-CE2 3.5Å; D312-Y339 HydrophobicContact CB-CG 4.17Å; L335-Y339 HydrophobicContact CD2-CD2 4.4Å; L335-Y339 HydrophobicContact CD2-CE2 3.59Å; L335-Y339 HydrophobicContact CG-CD2 4.04Å; L335-Y339 HydrophobicContact CG-CE2 3.7Å; L335-Y339 PolarHBondContact O-N 3.07Å; R336-Y339 PolarHBondContact O-N 2.67Å; Y339-K341 VanDerWaalsContact C-N 3.31Å; Y339-K341 PolarHBondContact O-N 3.12Å; Y339-V342 PolarHBondContact O-N 2.7Å; Y339-Q343 WeakPolarHBondContact O-CB 3.38Å; Y339-Q343 PolarHBondContact O-N 2.8Å; Y339-L359 HydrophobicContact CD1-CD1 4.31Å; Y339-L359 HydrophobicContact CE1-CB 4.43Å; Y339-L359 HydrophobicContact CE1-CD1 3.82Å; Y339-L359 HydrophobicContact CE1-CD2 3.71Å; Y339-L359 HydrophobicContact CE1-CG 4.2Å; Y339-L359 PolarHBondContact OH-O 3.19Å; Y339-H363 VanDerWaalsContact OH-CB 3.25Å; Y339-H363 WeakPolarHBondContact OH-CB 3.44Å; Y339-H363 PolarHBondContact OH-ND1 3.15Å
340L96.7Very high95.3Very high26 Ų2635 Ų3514%0.13617%0.169CC..Hα-helixtrans-62.7-40.1177-17561.8000111.2F156 V158 P314 R336 F338 E344F156-L340 VanDerWaalsContact C-CD2 3.49Å; V158-L340 HydrophobicContact CG1-CB 4.06Å; V158-L340 HydrophobicContact CG1-CD2 3.73Å; V158-L340 HydrophobicContact CG1-CG 3.99Å; P314-L340 HydrophobicContact CB-CB 4.41Å; P314-L340 HydrophobicContact CB-CD1 4.05Å; P314-L340 HydrophobicContact CG-CB 4.22Å; R336-L340 VanDerWaalsContact O-CB 3.32Å; R336-L340 WeakPolarHBondContact O-CB 3.08Å; R336-L340 PolarHBondContact O-N 2.82Å; F338-L340 VanDerWaalsContact C-N 3.27Å; F338-L340 PolarHBondContact O-N 3.13Å; L340-E344 WeakPolarHBondContact O-CB 3.16Å; L340-E344 PolarHBondContact O-N 2.9Å
341K97.2Very high94.7Very high16 Ų1634.6 Ų34.67%0.0717%0.166CC..Hα-helixtrans-68.9-43.2174.5-174.445.5165.6174.10112.5I150 V158 Y192 T337 F338 Y339 Q343 E344 D345I150-K341 HydrophobicContact CD1-CB 4.05Å; I150-K341 HydrophobicContact CD1-CG 3.53Å; I150-K341 HydrophobicContact CG1-CG 4.02Å; I150-K341 HydrophobicContact CG2-CB 4.06Å; I150-K341 HydrophobicContact CG2-CG 4.22Å; V158-K341 HydrophobicContact CG2-CB 4.12Å; V158-K341 HydrophobicContact CG2-CD 3.9Å; V158-K341 HydrophobicContact CG2-CG 4.42Å; Y192-K341 HydrophobicContact CD1-CG 4.36Å; Y192-K341 HydrophobicContact CE1-CG 4.19Å; T337-K341 PolarHBondContact O-N 3.41Å; F338-K341 PolarHBondContact O-N 3.39Å; F338-K341 VanDerWaalsContact O-N 3.12Å; Y339-K341 VanDerWaalsContact C-N 3.31Å; Y339-K341 PolarHBondContact O-N 3.12Å; K341-Q343 VanDerWaalsContact C-N 3.32Å; K341-Q343 PolarHBondContact O-N 3.08Å; K341-E344 HydrophobicContact CD-CB 4.45Å; K341-E344 WeakPolarHBondContact CD-OE2 3.3Å; K341-E344 IonicContact NZ-OE2 3.45Å; K341-E344 PolarHBondContact NZ-OE2 2.88Å; K341-E344 PolarHBondContact O-N 3.2Å; K341-D345 WeakPolarHBondContact CE-OD1 3.38Å; K341-D345 WeakPolarHBondContact CE-OD2 3.47Å; K341-D345 IonicContact NZ-OD1 3.07Å; K341-D345 PolarHBondContact NZ-OD1 2.86Å; K341-D345 IonicContact NZ-OD2 3.01Å; K341-D345 PolarHBondContact NZ-OD2 3.43Å; K341-D345 PolarHBondContact O-N 3.09Å
342V96.1Very high94.1Very high1 Ų136 Ų361%0.00617%0.173CC..Hα-helixtrans-56.4-50175.6174.50000109.8Y192 F338 Y339 E344 D345 T346 P351 L354Y192-V342 HydrophobicContact CD1-CG2 4.23Å; Y192-V342 HydrophobicContact CD2-CG2 3.95Å; Y192-V342 HydrophobicContact CG-CG2 3.73Å; F338-V342 HydrophobicContact CD1-CG2 4.4Å; F338-V342 HydrophobicContact CE1-CG2 4.09Å; F338-V342 HydrophobicContact CE2-CG2 4.35Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.44Å; F338-V342 PolarHBondContact O-N 3.28Å; Y339-V342 PolarHBondContact O-N 2.7Å; V342-E344 PolarHBondContact O-N 2.83Å; V342-D345 PolarHBondContact O-N 3.17Å; V342-T346 HydrophobicContact CG1-CG2 4.3Å; V342-T346 WeakPolarHBondContact O-CB 3.38Å; V342-T346 WeakPolarHBondContact O-CG2 3.08Å; V342-T346 PolarHBondContact O-N 2.9Å; V342-T346 PolarHBondContact O-OG1 3.38Å; V342-P351 HydrophobicContact CG1-CG 3.92Å; V342-L354 HydrophobicContact CG1-CD2 4.17Å; V342-L354 HydrophobicContact CG2-CD1 4.41Å; V342-L354 HydrophobicContact CG2-CD2 4.44Å
343Q95Very high93.9Very high24 Ų2436.8 Ų36.811%0.11218%0.18CC..Hα-helixtrans-61.2-41.8176.7-106.3179.3-9.400113.7P314 T315 Y339 K341 D345 H347 E348 Y349P314-Q343 VanDerWaalsContact CB-OE1 3.28Å; P314-Q343 VanDerWaalsContact CG-OE1 3.26Å; T315-Q343 PolarHBondContact OG1-NE2 3.31Å; Y339-Q343 WeakPolarHBondContact O-CB 3.38Å; Y339-Q343 PolarHBondContact O-N 2.8Å; K341-Q343 VanDerWaalsContact C-N 3.32Å; K341-Q343 PolarHBondContact O-N 3.08Å; Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 3.39Å; Q343-H347 VanDerWaalsContact O-CA 3.26Å; Q343-H347 WeakPolarHBondContact O-CA 3.32Å; Q343-H347 PolarHBondContact O-N 3.05Å; Q343-E348 WeakPolarHBondContact CG-O 3.48Å; Q343-Y349 PolarHBondContact NE2-O 3.41Å
344E95.2Very high93.6Very high99 Ų9937.3 Ų37.346%0.46318%0.182SC..Hα-helixtrans-58.1-45.4177.9-177.7-171.1-161.300111.1V158 L340 K341 V342 H347V158-E344 WeakPolarHBondContact CG2-OE2 3.38Å; L340-E344 WeakPolarHBondContact O-CB 3.16Å; L340-E344 PolarHBondContact O-N 2.9Å; K341-E344 HydrophobicContact CD-CB 4.45Å; K341-E344 WeakPolarHBondContact CD-OE2 3.3Å; K341-E344 IonicContact NZ-OE2 3.45Å; K341-E344 PolarHBondContact NZ-OE2 2.88Å; K341-E344 PolarHBondContact O-N 3.2Å; V342-E344 PolarHBondContact O-N 2.83Å; E344-H347 PolarHBondContact O-CE1 2.61Å; E344-H347 PolarHBondContact O-ND1 2.93Å
345D95.8Very high93.3Very high49 Ų4938.8 Ų38.826%0.26220%0.198SC..Hα-helixtrans-86.2-32.5-173-76-1000113.7K178 Y192 K341 V342 Q343K178-D345 IonicContact NZ-OD2 3.98Å; K178-D345 PolarHBondContact NZ-OD2 2.8Å; Y192-D345 HydrophobicContact CE1-CB 4.32Å; Y192-D345 WeakPolarHBondContact CE1-OD2 3.24Å; Y192-D345 WeakPolarHBondContact OH-CB 3.31Å; Y192-D345 PolarHBondContact OH-OD2 2.97Å; K341-D345 WeakPolarHBondContact CE-OD1 3.38Å; K341-D345 WeakPolarHBondContact CE-OD2 3.47Å; K341-D345 IonicContact NZ-OD1 3.07Å; K341-D345 PolarHBondContact NZ-OD1 2.86Å; K341-D345 IonicContact NZ-OD2 3.01Å; K341-D345 PolarHBondContact NZ-OD2 3.43Å; K341-D345 PolarHBondContact O-N 3.09Å; V342-D345 PolarHBondContact O-N 3.17Å; Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 3.39Å
346T93.3Very high93Very high47 Ų4740.6 Ų40.629%0.28821%0.211SC..Hα-helixtrans-93.4-19.7-179.468.60000113.2Y192 V342 E348Y192-T346 HydrophobicContact CE2-CG2 4.45Å; V342-T346 HydrophobicContact CG1-CG2 4.3Å; V342-T346 WeakPolarHBondContact O-CB 3.38Å; V342-T346 WeakPolarHBondContact O-CG2 3.08Å; V342-T346 PolarHBondContact O-N 2.9Å; V342-T346 PolarHBondContact O-OG1 3.38Å; T346-E348 PolarHBondContact O-N 2.8Å; T346-E348 WeakPolarHBondContact OG1-CB 2.88Å; T346-E348 PolarHBondContact OG1-N 2.89Å
347H92.3Very high92.8Very high164 Ų16443 Ų4376%0.75922%0.222SC*.  trans58.616.5-170.2-51.3-51000114.2Q343 E344Q343-H347 VanDerWaalsContact O-CA 3.26Å; Q343-H347 WeakPolarHBondContact O-CA 3.32Å; Q343-H347 PolarHBondContact O-N 3.05Å; E344-H347 PolarHBondContact O-CE1 2.61Å; E344-H347 PolarHBondContact O-ND1 2.93Å
348E90.3Very high92.5Very high104 Ų10443.3 Ų43.349%0.48623%0.225SC..  trans-87.5123.3178-67-174.4-151.200111Q343 T346 N350 P351Q343-E348 WeakPolarHBondContact CG-O 3.48Å; T346-E348 PolarHBondContact O-N 2.8Å; T346-E348 WeakPolarHBondContact OG1-CB 2.88Å; T346-E348 PolarHBondContact OG1-N 2.89Å; E348-N350 VanDerWaalsContact C-N 3.31Å; E348-N350 PolarHBondContact O-N 3.07Å; E348-P351 HydrophobicContact CB-CB 4.22Å; E348-P351 HydrophobicContact CB-CG 4.16Å; E348-P351 WeakPolarHBondContact OE2-CB 3.39Å
349Y85.8Confident92.1Very high98 Ų9843.7 Ų43.738%0.38423%0.227SC..SBendtrans-60.2-37.9179168.1-100.3000113.1V313 T315 I316 Q343V313-Y349 HydrophobicContact CG1-CE1 4.26Å; V313-Y349 HydrophobicContact CG1-CE2 4.06Å; T315-Y349 HydrophobicContact CG2-CD2 4.08Å; T315-Y349 HydrophobicContact CG2-CE2 4.41Å; T315-Y349 WeakPolarHBondContact OG1-CD2 3.35Å; T315-Y349 WeakPolarHBondContact OG1-CE2 3.45Å; I316-Y349 VanDerWaalsContact CD1-OH 3.26Å; I316-Y349 WeakPolarHBondContact CD1-OH 3.49Å; I316-Y349 HydrophobicContact CG2-CE2 4.37Å; Q343-Y349 PolarHBondContact NE2-O 3.41Å
350N84.9Confident91.7Very high35 Ų3543.3 Ų43.319%0.18723%0.225CC..SBendtrans-153.773.9-175.8-176.119.9000109.2E348 G388E348-N350 VanDerWaalsContact C-N 3.31Å; E348-N350 PolarHBondContact O-N 3.07Å; N350-G388 PolarHBondContact ND2-O 2.83Å
351P85.3Confident91.5Very high11 Ų1145.5 Ų45.57%0.07124%0.235CC..  trans-61.2139177.215.3-15.3000109V342 E348 L359V342-P351 HydrophobicContact CG1-CG 3.92Å; E348-P351 HydrophobicContact CB-CB 4.22Å; E348-P351 HydrophobicContact CB-CG 4.16Å; E348-P351 WeakPolarHBondContact OE2-CB 3.39Å; P351-L359 HydrophobicContact CB-CD1 3.87Å; P351-L359 HydrophobicContact CG-CD1 3.64Å; P351-L359 WeakPolarHBondContact O-CD1 3.44Å
352L87.3Confident91.3Very high40 Ų4045.4 Ų45.421%0.20924%0.236CC..  trans-94.3-22.7177.9-62.9177.9000112.5L114 S358 L359 Y389L114-L352 HydrophobicContact CD1-CB 3.59Å; L114-L352 HydrophobicContact CD1-CD1 3.71Å; L114-L352 HydrophobicContact CD1-CG 4.28Å; L114-L352 HydrophobicContact CD2-CB 4.06Å; L114-L352 WeakPolarHBondContact CD2-O 3.17Å; L114-L352 HydrophobicContact CG-CB 4.47Å; L352-S358 WeakPolarHBondContact O-CA 3.22Å; L352-L359 PolarHBondContact O-N 2.6Å; L352-Y389 HydrophobicContact CD2-CE2 4.36Å
353C92.2Very high91.3Very high36 Ų3645.4 Ų45.424%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-131.3151.9-174.6-60.40000111.8C116 E357C116-C353 WeakPolarHBondContact CA-SG 3.42Å; C116-C353 HydrophobicContact CB-CB 3.71Å; C116-C353 WeakPolarHBondContact CB-SG 3.42Å; C116-C353 WeakPolarHBondContact SG-CB 3.28Å; C116-C353 CovalentContact SG-SG 2.04Å; C116-C353 PolarHBondContact SG-SG 2.76Å; C353-E357 CarbonylContact C-O 3.53Å; C353-E357 VanDerWaalsContact CA-O 3.31Å; C353-E357 WeakPolarHBondContact CA-O 3.4Å
354L91.3Very high91.5Very high11 Ų1144.4 Ų44.46%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-126.795.6165.1-83.9-179.2000108.8N121 Y192 F338 V342 S356 E357 L359N121-L354 PolarHBondContact ND2-O 2.7Å; Y192-L354 HydrophobicContact CD2-CD2 3.91Å; F338-L354 HydrophobicContact CE1-CD1 3.81Å; F338-L354 HydrophobicContact CE2-CD1 4.44Å; F338-L354 HydrophobicContact CZ-CD1 3.34Å; V342-L354 HydrophobicContact CG1-CD2 4.17Å; V342-L354 HydrophobicContact CG2-CD1 4.41Å; V342-L354 HydrophobicContact CG2-CD2 4.44Å; L354-S356 PolarHBondContact O-N 3.11Å; L354-E357 PolarHBondContact N-O 3.44Å; L354-E357 PolarHBondContact O-N 3.49Å; L354-L359 HydrophobicContact CB-CD2 4.4Å; L354-L359 HydrophobicContact CD1-CD2 3.29Å; L354-L359 HydrophobicContact CD1-CG 4.34Å; L354-L359 HydrophobicContact CG-CD2 3.57Å; L354-L359 HydrophobicContact CG-CG 4.09Å
355G91.7Very high91.6Very high33 Ų3340.8 Ų40.834%0.3422%0.216SC..THydrogen-bonded Turntrans61.7-121.5-169.200000110.5S117 N121S117-G355 VanDerWaalsContact CB-C 3.42Å; S117-G355 VanDerWaalsContact CB-O 3.23Å; S117-G355 WeakPolarHBondContact CB-O 3.3Å; S117-G355 PolarHBondContact N-O 3.19Å; N121-G355 WeakPolarHBondContact OD1-CA 3.31Å
356S92.4Very high91.7Very high38 Ų3838.5 Ų38.527%0.26620%0.204SC..THydrogen-bonded Turntrans-84.7-11.5-179.543.30000114.7S117 E119 S120 N121 L354S117-S356 VanDerWaalsContact O-CA 3.25Å; S117-S356 WeakPolarHBondContact O-CA 3.18Å; S117-S356 WeakPolarHBondContact O-CB 3.41Å; E119-S356 VanDerWaalsContact O-CB 3.28Å; E119-S356 WeakPolarHBondContact O-CB 3.26Å; E119-S356 PolarHBondContact O-OG 3.38Å; S120-S356 WeakPolarHBondContact CA-OG 3.44Å; N121-S356 VanDerWaalsContact CG-OG 3.29Å; N121-S356 PolarHBondContact N-OG 2.97Å; N121-S356 PolarHBondContact OD1-N 3.18Å; N121-S356 PolarHBondContact OD1-OG 3.49Å; N121-S356 VanDerWaalsContact OD1-OG 3.12Å; L354-S356 PolarHBondContact O-N 3.11Å
357E92.8Very high91.9Very high58 Ų5836.2 Ų36.227%0.27119%0.19SC..EExtended strand (participates in β ladder)trans-98.2143.4-177.1-68175.4124.800110.9N121 C353 L354 V362N121-E357 PolarHBondContact ND2-OE2 3.17Å; C353-E357 CarbonylContact C-O 3.53Å; C353-E357 VanDerWaalsContact CA-O 3.31Å; C353-E357 WeakPolarHBondContact CA-O 3.4Å; L354-E357 PolarHBondContact N-O 3.44Å; L354-E357 PolarHBondContact O-N 3.49Å; E357-V362 HydrophobicContact CB-CG2 4.12Å
358S92.1Very high92.2Very high10 Ų1029.6 Ų29.67%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-72.9145167.769.50000110.2L352 Y360 Q361 V362L352-S358 WeakPolarHBondContact O-CA 3.22Å; S358-Y360 PolarHBondContact O-N 3.36Å; S358-Y360 VanDerWaalsContact O-N 3.14Å; S358-Q361 PolarHBondContact O-N 3.08Å; S358-Q361 VanDerWaalsContact O-N 3.12Å; S358-Q361 WeakPolarHBondContact OG-CB 3.33Å; S358-Q361 VanDerWaalsContact OG-CG 3.27Å; S358-Q361 WeakPolarHBondContact OG-CG 3.47Å; S358-Q361 PolarHBondContact OG-N 3.37Å; S358-Q361 VanDerWaalsContact OG-N 3.13Å; S358-Q361 PolarHBondContact OG-OE1 3Å; S358-V362 PolarHBondContact O-N 2.95Å
359L90Very high92.6Very high8 Ų824.9 Ų24.94%0.04214%0.138CC..Hα-helixtrans-62.6-21.1173.8-90-175.1000113.1F338 Y339 P351 L352 L354 V362 H363F338-L359 HydrophobicContact CE1-CD2 4.07Å; Y339-L359 HydrophobicContact CD1-CD1 4.31Å; Y339-L359 HydrophobicContact CE1-CB 4.43Å; Y339-L359 HydrophobicContact CE1-CD1 3.82Å; Y339-L359 HydrophobicContact CE1-CD2 3.71Å; Y339-L359 HydrophobicContact CE1-CG 4.2Å; Y339-L359 PolarHBondContact OH-O 3.19Å; P351-L359 HydrophobicContact CB-CD1 3.87Å; P351-L359 HydrophobicContact CG-CD1 3.64Å; P351-L359 WeakPolarHBondContact O-CD1 3.44Å; L352-L359 PolarHBondContact O-N 2.6Å; L354-L359 HydrophobicContact CB-CD2 4.4Å; L354-L359 HydrophobicContact CD1-CD2 3.29Å; L354-L359 HydrophobicContact CD1-CG 4.34Å; L354-L359 HydrophobicContact CG-CD2 3.57Å; L354-L359 HydrophobicContact CG-CG 4.09Å; L359-V362 HydrophobicContact CD2-CB 4.27Å; L359-V362 HydrophobicContact CD2-CG1 4.45Å; L359-V362 HydrophobicContact CD2-CG2 4.47Å; L359-H363 WeakPolarHBondContact O-CB 3.49Å; L359-H363 PolarHBondContact O-N 3.3Å
360Y87.8Confident93.2Very high2 Ų220.2 Ų20.21%0.00812%0.119CC..Hα-helixtrans-66.9-48.1172.6-171.7-101.9000111.7F223 S358 V362 H363 L364 H386 Y389 A400 P403 T404F223-Y360 HydrophobicContact CE1-CE2 4.02Å; F223-Y360 AromaticContact CE1-CZ 4Å; F223-Y360 VanDerWaalsContact CE1-OH 3.24Å; F223-Y360 WeakPolarHBondContact CE1-OH 3.4Å; F223-Y360 WeakPolarHBondContact CZ-OH 3.34Å; S358-Y360 PolarHBondContact O-N 3.36Å; S358-Y360 VanDerWaalsContact O-N 3.14Å; Y360-V362 VanDerWaalsContact C-N 3.34Å; Y360-H363 WeakPolarHBondContact O-CB 3.44Å; Y360-H363 PolarHBondContact O-N 3.09Å; Y360-L364 HydrophobicContact CD1-CD1 3.7Å; Y360-L364 HydrophobicContact CD1-CG 4.35Å; Y360-L364 HydrophobicContact CE1-CD1 3.15Å; Y360-L364 HydrophobicContact CE1-CG 3.91Å; Y360-L364 PolarHBondContact O-N 2.97Å; Y360-H386 AromaticContact CD2-CE1 3.39Å; Y360-H386 WeakPolarHBondContact CD2-CE1 3.48Å; Y360-H386 AromaticContact CD2-CG 3.96Å; Y360-H386 AromaticContact CD2-ND1 3.3Å; Y360-H386 VanDerWaalsContact CD2-ND1 3.3Å; Y360-H386 WeakPolarHBondContact CD2-ND1 3.46Å; Y360-H386 HydrophobicContact CE2-CB 4.24Å; Y360-H386 AromaticContact CE2-CD2 3.62Å; Y360-H386 AromaticContact CE2-CE1 3.13Å; Y360-H386 WeakPolarHBondContact CE2-CE1 3.45Å; Y360-H386 AromaticContact CE2-CG 3.51Å; Y360-H386 AromaticContact CE2-ND1 3.24Å; Y360-H386 WeakPolarHBondContact CE2-ND1 3.28Å; Y360-H386 AromaticContact CE2-NE2 3.4Å; Y360-H386 WeakPolarHBondContact CE2-NE2 3.41Å; Y360-H386 AromaticContact CZ-CE1 3.78Å; Y360-H386 AromaticContact CZ-NE2 3.77Å; Y360-Y389 HydrophobicContact CD2-CD2 4.22Å; Y360-Y389 HydrophobicContact CD2-CE2 4.34Å; Y360-Y389 HydrophobicContact CG-CE2 4.38Å; Y360-A400 HydrophobicContact CD2-CB 4.33Å; Y360-A400 HydrophobicContact CE1-CB 3.95Å; Y360-A400 HydrophobicContact CE2-CB 3.78Å; Y360-P403 HydrophobicContact CD1-CB 3.66Å; Y360-P403 HydrophobicContact CD1-CG 4.23Å; Y360-P403 HydrophobicContact CE1-CB 3.7Å; Y360-T404 PolarHBondContact OH-OG1 3.08Å
361Q92.3Very high93.8Very high71 Ų7118.6 Ų18.633%0.33211%0.111SC..Hα-helixtrans-64.2-39.1175.7-75.8166.6-4800111.8S358 H363 L364 S365 P403S358-Q361 PolarHBondContact O-N 3.08Å; S358-Q361 VanDerWaalsContact O-N 3.12Å; S358-Q361 WeakPolarHBondContact OG-CB 3.33Å; S358-Q361 VanDerWaalsContact OG-CG 3.27Å; S358-Q361 WeakPolarHBondContact OG-CG 3.47Å; S358-Q361 PolarHBondContact OG-N 3.37Å; S358-Q361 VanDerWaalsContact OG-N 3.13Å; S358-Q361 PolarHBondContact OG-OE1 3Å; Q361-H363 VanDerWaalsContact C-N 3.31Å; Q361-H363 PolarHBondContact O-N 2.97Å; Q361-L364 PolarHBondContact O-N 2.8Å; Q361-S365 WeakPolarHBondContact O-CB 3.23Å; Q361-S365 PolarHBondContact O-N 3.15Å; Q361-S365 PolarHBondContact O-OG 2.89Å; Q361-P403 HydrophobicContact CG-CB 4.24Å
362V94.4Very high94.4Very high15 Ų1521.8 Ų21.89%0.09113%0.13CC..Hα-helixtrans-59.4-44.5173.4173.80000110.7F338 E357 S358 L359 Y360 S365 Y366F338-V362 HydrophobicContact CE1-CG1 3.87Å; F338-V362 HydrophobicContact CZ-CG1 3.96Å; E357-V362 HydrophobicContact CB-CG2 4.12Å; S358-V362 PolarHBondContact O-N 2.95Å; L359-V362 HydrophobicContact CD2-CB 4.27Å; L359-V362 HydrophobicContact CD2-CG1 4.45Å; L359-V362 HydrophobicContact CD2-CG2 4.47Å; Y360-V362 VanDerWaalsContact C-N 3.34Å; V362-S365 PolarHBondContact O-N 3.1Å; V362-Y366 PolarHBondContact O-N 3.48Å; V362-Y366 VanDerWaalsContact O-N 3.12Å
363H96Very high94.8Very high0 Ų020.6 Ų20.60%012%0.124CC..Hα-helixtrans-62.5-50.7179.1-157.4160.1000111.8A310 D312 L335 Y339 L359 Y360 Q361 Y366 Q384 I385 H386A310-H363 WeakPolarHBondContact CB-NE2 3.48Å; D312-H363 IonicContact OD2-CE1 2.6Å; D312-H363 IonicContact OD2-ND1 3.12Å; D312-H363 PolarHBondContact OD2-ND1 3.42Å; L335-H363 HydrophobicContact CD2-CB 4.48Å; L335-H363 WeakPolarHBondContact CD2-CD2 3.23Å; Y339-H363 VanDerWaalsContact OH-CB 3.25Å; Y339-H363 WeakPolarHBondContact OH-CB 3.44Å; Y339-H363 PolarHBondContact OH-ND1 3.15Å; L359-H363 WeakPolarHBondContact O-CB 3.49Å; L359-H363 PolarHBondContact O-N 3.3Å; Y360-H363 WeakPolarHBondContact O-CB 3.44Å; Y360-H363 PolarHBondContact O-N 3.09Å; Q361-H363 VanDerWaalsContact C-N 3.31Å; Q361-H363 PolarHBondContact O-N 2.97Å; H363-Y366 WeakPolarHBondContact O-CB 3.41Å; H363-Y366 PolarHBondContact O-N 3.18Å; H363-Q384 PolarHBondContact CD2-NE2 3.33Å; H363-Q384 VanDerWaalsContact CG-NE2 3.31Å; H363-Q384 VanDerWaalsContact NE2-CG 3.34Å; H363-Q384 WeakPolarHBondContact NE2-CG 3.19Å; H363-Q384 PolarHBondContact O-NE2 2.77Å; H363-I385 PolarHBondContact CE1-O 3.07Å; H363-I385 VanDerWaalsContact CE1-O 3.27Å; H363-H386 AromaticContact CE1-ND1 3.95Å; H363-H386 AromaticContact CG-CE1 3.58Å; H363-H386 AromaticContact CG-ND1 3.67Å; H363-H386 AromaticContact ND1-CE1 3.67Å; H363-H386 AromaticContact ND1-ND1 3.25Å; H363-H386 PolarHBondContact ND1-ND1 3.27Å
364L97.7Very high94.9Very high3 Ų319.3 Ų19.32%0.01612%0.115CC..Hα-helixtrans-61.4-44.9176.5-72.6175.9000112.1L221 Y360 Q361 Y366 V367 E368 P403 H407L221-L364 HydrophobicContact CD1-CD2 3.87Å; Y360-L364 HydrophobicContact CD1-CD1 3.7Å; Y360-L364 HydrophobicContact CD1-CG 4.35Å; Y360-L364 HydrophobicContact CE1-CD1 3.15Å; Y360-L364 HydrophobicContact CE1-CG 3.91Å; Y360-L364 PolarHBondContact O-N 2.97Å; Q361-L364 PolarHBondContact O-N 2.8Å; L364-Y366 PolarHBondContact O-N 2.67Å; L364-V367 PolarHBondContact O-N 3.28Å; L364-E368 PolarHBondContact O-N 2.6Å; L364-E368 VanDerWaalsContact O-N 3.11Å; L364-P403 HydrophobicContact CD1-CB 4.28Å; L364-H407 HydrophobicContact CD1-CB 3.95Å; L364-H407 HydrophobicContact CD2-CB 4.26Å; L364-H407 PolarHBondContact O-CE1 2.91Å
365S97.2Very high94.9Very high23 Ų2322.2 Ų22.216%0.16113%0.134CC..Hα-helixtrans-60.2-30.6-179.8-72.10000112.6R126 Q361 V362 V367 E368 D369R126-S365 PolarHBondContact NH1-O 3Å; R126-S365 PolarHBondContact NH2-OG 3.22Å; Q361-S365 WeakPolarHBondContact O-CB 3.23Å; Q361-S365 PolarHBondContact O-N 3.15Å; Q361-S365 PolarHBondContact O-OG 2.89Å; V362-S365 PolarHBondContact O-N 3.1Å; S365-V367 VanDerWaalsContact C-N 3.3Å; S365-V367 PolarHBondContact O-N 2.83Å; S365-E368 PolarHBondContact O-N 3.04Å; S365-D369 WeakPolarHBondContact O-CB 3.24Å; S365-D369 PolarHBondContact O-N 2.78Å
366Y98.4Very high94.9Very high1 Ų124 Ų240%0.00413%0.13CC..Hα-helixtrans-61.7-39.1175.6-172.5-117.9000111.9D175 F176 A194 T195 I196 L308 H333 L335 V362 H363 L364 F370D175-Y366 HydrophobicContact CB-CE2 4.36Å; D175-Y366 PolarHBondContact OD2-OH 3.44Å; F176-Y366 HydrophobicContact CE1-CD2 4.39Å; F176-Y366 AromaticContact CE1-CE2 3.6Å; F176-Y366 HydrophobicContact CE1-CE2 3.6Å; F176-Y366 AromaticContact CE1-CZ 3.74Å; F176-Y366 HydrophobicContact CZ-CE2 4.14Å; F176-Y366 AromaticContact CZ-CZ 3.81Å; F176-Y366 VanDerWaalsContact CZ-OH 3.32Å; F176-Y366 WeakPolarHBondContact CZ-OH 3.34Å; A194-Y366 HydrophobicContact CB-CD2 3.97Å; A194-Y366 HydrophobicContact CB-CE2 4.41Å; T195-Y366 WeakPolarHBondContact O-CE2 3.41Å; I196-Y366 HydrophobicContact CD1-CD2 3.92Å; I196-Y366 HydrophobicContact CD1-CE1 4.07Å; I196-Y366 HydrophobicContact CD1-CE2 3.37Å; I196-Y366 HydrophobicContact CD1-CG 4.47Å; I196-Y366 VanDerWaalsContact CD1-CZ 3.45Å; I196-Y366 HydrophobicContact CG1-CD2 4.32Å; I196-Y366 HydrophobicContact CG1-CE2 4.12Å; L308-Y366 HydrophobicContact CD1-CD1 3.78Å; L308-Y366 HydrophobicContact CD1-CE1 3.59Å; L308-Y366 HydrophobicContact CD2-CD1 4.47Å; L308-Y366 HydrophobicContact CD2-CE1 4.44Å; L308-Y366 HydrophobicContact CG-CD1 4.37Å; L308-Y366 HydrophobicContact CG-CE1 3.97Å; H333-Y366 HydrophobicContact CB-CE1 4.34Å; H333-Y366 WeakPolarHBondContact CB-OH 3.25Å; L335-Y366 HydrophobicContact CB-CD1 3.95Å; L335-Y366 HydrophobicContact CB-CE1 3.81Å; L335-Y366 HydrophobicContact CD1-CD1 3.78Å; L335-Y366 HydrophobicContact CD1-CD2 4.07Å; L335-Y366 HydrophobicContact CD1-CE1 4Å; L335-Y366 HydrophobicContact CD1-CE2 4.28Å; L335-Y366 HydrophobicContact CD1-CG 3.81Å; L335-Y366 HydrophobicContact CD2-CD1 3.97Å; L335-Y366 HydrophobicContact CD2-CG 4.34Å; L335-Y366 HydrophobicContact CG-CD1 4.11Å; L335-Y366 HydrophobicContact CG-CE1 4.35Å; V362-Y366 PolarHBondContact O-N 3.48Å; V362-Y366 VanDerWaalsContact O-N 3.12Å; H363-Y366 WeakPolarHBondContact O-CB 3.41Å; H363-Y366 PolarHBondContact O-N 3.18Å; L364-Y366 PolarHBondContact O-N 2.67Å; Y366-F370 WeakPolarHBondContact O-CB 3.44Å; Y366-F370 PolarHBondContact O-N 3.1Å; Y366-F370 VanDerWaalsContact O-N 3.08Å
367V98.6Very high94.7Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-76.7-34.9176-178.20000111.7Y219 L308 L364 S365 D369 F370 F371 A382 Q384 F411Y219-V367 HydrophobicContact CD2-CG1 4.14Å; Y219-V367 HydrophobicContact CE1-CG1 4.14Å; Y219-V367 HydrophobicContact CE2-CB 4.45Å; Y219-V367 HydrophobicContact CE2-CG1 3.68Å; Y219-V367 HydrophobicContact CE2-CG2 4.41Å; L308-V367 HydrophobicContact CD1-CG2 4.34Å; L308-V367 HydrophobicContact CD2-CG2 3.89Å; L364-V367 PolarHBondContact O-N 3.28Å; S365-V367 VanDerWaalsContact C-N 3.3Å; S365-V367 PolarHBondContact O-N 2.83Å; V367-D369 VanDerWaalsContact C-N 3.31Å; V367-D369 PolarHBondContact O-N 3.22Å; V367-F370 WeakPolarHBondContact O-CB 3.41Å; V367-F370 PolarHBondContact O-N 3.42Å; V367-F371 HydrophobicContact CG1-CD2 3.85Å; V367-F371 HydrophobicContact CG1-CE2 3.86Å; V367-F371 WeakPolarHBondContact O-CD2 3.34Å; V367-F371 PolarHBondContact O-N 2.88Å; V367-A382 HydrophobicContact CG1-CB 4.01Å; V367-Q384 HydrophobicContact CG2-CB 4.23Å; V367-Q384 HydrophobicContact CG2-CG 4.46Å; V367-F411 HydrophobicContact CG1-CZ 4.07Å
368E98.6Very high94.7Very high25 Ų2526.7 Ų26.712%0.11714%0.139CC..Hα-helixtrans-59.7-44171.6-63.7172.4-177.200111.8R126 L364 S365 F370 F371 T372 H407 F410 F411R126-E368 IonicContact NH1-OE2 2.74Å; R126-E368 IonicContact NH2-OE2 3.59Å; L364-E368 PolarHBondContact O-N 2.6Å; L364-E368 VanDerWaalsContact O-N 3.11Å; S365-E368 PolarHBondContact O-N 3.04Å; E368-F370 VanDerWaalsContact C-N 3.28Å; E368-F370 PolarHBondContact O-N 2.99Å; E368-F371 PolarHBondContact O-N 3.28Å; E368-T372 WeakPolarHBondContact O-CB 3.43Å; E368-T372 PolarHBondContact O-N 2.68Å; E368-T372 PolarHBondContact O-OG1 3.11Å; E368-H407 WeakPolarHBondContact CG-ND1 3.37Å; E368-H407 IonicContact OE1-CE1 2.85Å; E368-H407 IonicContact OE1-CG 2.82Å; E368-H407 IonicContact OE1-ND1 2.87Å; E368-H407 PolarHBondContact OE1-ND1 3.44Å; E368-F410 HydrophobicContact CB-CD1 4.11Å; E368-F410 HydrophobicContact CB-CE1 3.58Å; E368-F410 HydrophobicContact CB-CZ 3.88Å; E368-F410 HydrophobicContact CG-CD1 3.67Å; E368-F410 HydrophobicContact CG-CE1 3.68Å; E368-F410 HydrophobicContact CG-CG 4.3Å; E368-F410 HydrophobicContact CG-CZ 4.31Å; E368-F411 HydrophobicContact CG-CE2 4.31Å
369D98.3Very high94.9Very high4 Ų426.4 Ų26.42%0.02114%0.137CC..Hα-helixtrans-64.3-36.8176.8-15934.3000110.5R126 N127 T195 I196 S365 V367 T372 T373R126-D369 WeakPolarHBondContact CA-OD1 3.19Å; N127-D369 PolarHBondContact N-OD1 3.33Å; N127-D369 PolarHBondContact N-OD2 3.02Å; T195-D369 VanDerWaalsContact CA-OD2 3.22Å; T195-D369 WeakPolarHBondContact CA-OD2 3.47Å; T195-D369 WeakPolarHBondContact CB-OD2 3.37Å; T195-D369 PolarHBondContact OG1-OD2 3.11Å; I196-D369 HydrophobicContact CG1-CB 4.09Å; I196-D369 PolarHBondContact N-OD2 3.27Å; S365-D369 WeakPolarHBondContact O-CB 3.24Å; S365-D369 PolarHBondContact O-N 2.78Å; V367-D369 VanDerWaalsContact C-N 3.31Å; V367-D369 PolarHBondContact O-N 3.22Å; D369-T372 PolarHBondContact O-N 3.09Å; D369-T373 WeakPolarHBondContact O-CB 3.45Å; D369-T373 PolarHBondContact O-N 3.14Å; D369-T373 PolarHBondContact O-OG1 3.17Å
370F98.3Very high95.2Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-63.6-45.5177.2176.8-116.9000112.8I196 A306 L308 H333 Y366 V367 E368 T372 Y374 K380 A382I196-F370 HydrophobicContact CD1-CB 3.94Å; I196-F370 HydrophobicContact CD1-CD2 4.18Å; I196-F370 HydrophobicContact CD1-CG 4.49Å; I196-F370 HydrophobicContact CG1-CB 3.83Å; I196-F370 HydrophobicContact CG2-CD2 4.23Å; A306-F370 HydrophobicContact CB-CE2 3.78Å; A306-F370 HydrophobicContact CB-CZ 3.7Å; L308-F370 HydrophobicContact CB-CD1 4.19Å; L308-F370 HydrophobicContact CB-CE1 4.02Å; L308-F370 HydrophobicContact CB-CE2 4.38Å; L308-F370 HydrophobicContact CB-CG 4.43Å; L308-F370 HydrophobicContact CB-CZ 4.14Å; L308-F370 HydrophobicContact CD1-CB 3.68Å; L308-F370 HydrophobicContact CD1-CD1 3.93Å; L308-F370 HydrophobicContact CD1-CD2 4.04Å; L308-F370 HydrophobicContact CD1-CG 3.62Å; H333-F370 AromaticContact CD2-CD2 3.72Å; H333-F370 AromaticContact CD2-CE2 3.5Å; Y366-F370 WeakPolarHBondContact O-CB 3.44Å; Y366-F370 PolarHBondContact O-N 3.1Å; Y366-F370 VanDerWaalsContact O-N 3.08Å; V367-F370 WeakPolarHBondContact O-CB 3.41Å; V367-F370 PolarHBondContact O-N 3.42Å; E368-F370 VanDerWaalsContact C-N 3.28Å; E368-F370 PolarHBondContact O-N 2.99Å; F370-T372 VanDerWaalsContact C-N 3.3Å; F370-T372 PolarHBondContact O-N 2.92Å; F370-Y374 AromaticContact CD2-CD2 3.64Å; F370-Y374 HydrophobicContact CD2-CD2 3.64Å; F370-Y374 AromaticContact CD2-CE2 3.6Å; F370-Y374 HydrophobicContact CD2-CE2 3.6Å; F370-Y374 AromaticContact CE2-CD2 3.56Å; F370-Y374 HydrophobicContact CE2-CD2 3.56Å; F370-Y374 AromaticContact CE2-CE2 3.42Å; F370-Y374 HydrophobicContact CE2-CE2 3.42Å; F370-Y374 VanDerWaalsContact CE2-CE2 3.42Å; F370-Y374 HydrophobicContact CZ-CD2 4.49Å; F370-Y374 PolarHBondContact O-N 3.17Å; F370-K380 HydrophobicContact CE1-CB 3.73Å; F370-K380 HydrophobicContact CE1-CD 4.3Å; F370-K380 HydrophobicContact CE1-CG 3.98Å; F370-K380 HydrophobicContact CZ-CB 4.1Å; F370-K380 HydrophobicContact CZ-CG 4.07Å; F370-A382 HydrophobicContact CD1-CB 4.17Å; F370-A382 HydrophobicContact CE1-CB 4.11Å
371F97.8Very high95.7Very high1 Ų126 Ų260%0.00414%0.135CC..Hα-helixtrans-69.4-29.6176.6-86.1-99.3000113N217 Y219 V367 E368 K380 A382 F411 F416 T420N217-F371 HydrophobicContact CB-CE1 4.01Å; N217-F371 HydrophobicContact CB-CZ 4.3Å; Y219-F371 HydrophobicContact CG-CE2 4.38Å; Y219-F371 HydrophobicContact CG-CZ 4.5Å; V367-F371 HydrophobicContact CG1-CD2 3.85Å; V367-F371 HydrophobicContact CG1-CE2 3.86Å; V367-F371 WeakPolarHBondContact O-CD2 3.34Å; V367-F371 PolarHBondContact O-N 2.88Å; E368-F371 PolarHBondContact O-N 3.28Å; F371-K380 HydrophobicContact CD1-CD 3.69Å; F371-K380 HydrophobicContact CD2-CD 4.4Å; F371-K380 HydrophobicContact CE1-CB 4.3Å; F371-K380 HydrophobicContact CE1-CD 3.91Å; F371-K380 HydrophobicContact CG-CD 3.96Å; F371-K380 HydrophobicContact CZ-CB 4.18Å; F371-K380 HydrophobicContact CZ-CD 4.36Å; F371-A382 HydrophobicContact CE2-CB 3.96Å; F371-F411 HydrophobicContact CB-CE1 4.31Å; F371-F411 HydrophobicContact CB-CZ 4.22Å; F371-F411 AromaticContact CD1-CE1 3.75Å; F371-F411 HydrophobicContact CD1-CE1 3.75Å; F371-F411 HydrophobicContact CD1-CZ 4.37Å; F371-F411 AromaticContact CD2-CE1 3.66Å; F371-F411 HydrophobicContact CD2-CE1 3.66Å; F371-F411 AromaticContact CD2-CZ 3.51Å; F371-F411 HydrophobicContact CD2-CZ 3.51Å; F371-F411 AromaticContact CE1-CE1 3.9Å; F371-F411 HydrophobicContact CE1-CE1 3.9Å; F371-F411 AromaticContact CE2-CE1 3.8Å; F371-F411 HydrophobicContact CE2-CE1 3.8Å; F371-F411 AromaticContact CE2-CZ 3.89Å; F371-F411 HydrophobicContact CE2-CZ 3.89Å; F371-F411 AromaticContact CG-CE1 3.62Å; F371-F411 HydrophobicContact CG-CE1 3.62Å; F371-F411 AromaticContact CG-CZ 3.77Å; F371-F411 HydrophobicContact CG-CZ 3.77Å; F371-F411 AromaticContact CZ-CE1 3.92Å; F371-F411 HydrophobicContact CZ-CE1 3.92Å; F371-F411 HydrophobicContact CZ-CZ 4.47Å; F371-F416 HydrophobicContact CB-CD1 4.02Å; F371-F416 HydrophobicContact CB-CD2 4.21Å; F371-F416 HydrophobicContact CB-CE1 3.99Å; F371-F416 HydrophobicContact CB-CE2 4.17Å; F371-F416 HydrophobicContact CB-CG 4.16Å; F371-F416 HydrophobicContact CB-CZ 4.08Å; F371-F416 HydrophobicContact CD1-CB 4.21Å; F371-F416 HydrophobicContact CD1-CD1 4.03Å; F371-F416 HydrophobicContact CD1-CG 4.17Å; F371-F416 VanDerWaalsContact O-CE1 3.23Å; F371-F416 WeakPolarHBondContact O-CE1 3.43Å; F371-T420 HydrophobicContact CE1-CG2 4.41Å; F371-T420 HydrophobicContact CZ-CG2 4.39Å
372T97.2Very high96Very high78 Ų7822.6 Ų22.648%0.47912%0.119SC..Hα-helixtrans-79.4-39.2179-57.10000112.8E368 D369 F370E368-T372 WeakPolarHBondContact O-CB 3.43Å; E368-T372 PolarHBondContact O-N 2.68Å; E368-T372 PolarHBondContact O-OG1 3.11Å; D369-T372 PolarHBondContact O-N 3.09Å; F370-T372 VanDerWaalsContact C-N 3.3Å; F370-T372 PolarHBondContact O-N 2.92Å
373T95.9Very high96.2Very high15 Ų1521.9 Ų21.99%0.09211%0.114CC..Hα-helixtrans-68.6-41.8-174.8-65.60000112.4N127 I196 P198 D369N127-T373 WeakPolarHBondContact CA-OG1 3.41Å; N127-T373 WeakPolarHBondContact OD1-CG2 3.38Å; I196-T373 HydrophobicContact CB-CG2 4.28Å; I196-T373 HydrophobicContact CG2-CG2 3.65Å; P198-T373 HydrophobicContact CB-CG2 3.73Å; P198-T373 HydrophobicContact CG-CG2 3.6Å; D369-T373 WeakPolarHBondContact O-CB 3.45Å; D369-T373 PolarHBondContact O-N 3.14Å; D369-T373 PolarHBondContact O-OG1 3.17Å
374Y94.4Very high96.3Very high9 Ų921.9 Ų21.94%0.03511%0.114CC..SBendtrans-90.3138.2-177.7-77.3-74.9000111.8I196 P198 K199 M202 A306 H333 F370 Q378 K380I196-Y374 HydrophobicContact CG2-CD2 4.35Å; I196-Y374 HydrophobicContact CG2-CE2 3.82Å; P198-Y374 HydrophobicContact CB-CE1 4.14Å; K199-Y374 PolarHBondContact N-OH 2.73Å; K199-Y374 VanDerWaalsContact N-OH 3.16Å; M202-Y374 HydrophobicContact CB-CD1 4.37Å; M202-Y374 HydrophobicContact CB-CE1 3.79Å; M202-Y374 HydrophobicContact CG-CE1 3.78Å; A306-Y374 HydrophobicContact CB-CD1 4.42Å; A306-Y374 HydrophobicContact CB-CD2 4.27Å; A306-Y374 HydrophobicContact CB-CE1 4.28Å; A306-Y374 HydrophobicContact CB-CE2 4.14Å; A306-Y374 HydrophobicContact CB-CG 4.41Å; H333-Y374 AromaticContact NE2-CE2 3.3Å; H333-Y374 VanDerWaalsContact NE2-CE2 3.3Å; H333-Y374 WeakPolarHBondContact NE2-CE2 3.16Å; H333-Y374 AromaticContact NE2-CZ 3.45Å; H333-Y374 PolarHBondContact NE2-OH 3.12Å; F370-Y374 AromaticContact CD2-CD2 3.64Å; F370-Y374 HydrophobicContact CD2-CD2 3.64Å; F370-Y374 AromaticContact CD2-CE2 3.6Å; F370-Y374 HydrophobicContact CD2-CE2 3.6Å; F370-Y374 AromaticContact CE2-CD2 3.56Å; F370-Y374 HydrophobicContact CE2-CD2 3.56Å; F370-Y374 AromaticContact CE2-CE2 3.42Å; F370-Y374 HydrophobicContact CE2-CE2 3.42Å; F370-Y374 VanDerWaalsContact CE2-CE2 3.42Å; F370-Y374 HydrophobicContact CZ-CD2 4.49Å; F370-Y374 PolarHBondContact O-N 3.17Å; Y374-Q378 HydrophobicContact CD1-CG 3.92Å; Y374-Q378 HydrophobicContact CG-CG 4.28Å; Y374-K380 PolarHBondContact O-NZ 3.38Å
375P92.1Very high96.3Very high72 Ų7221.7 Ų21.747%0.46811%0.114SC..  trans-53.7159.9177.3-25.833.9000113.9E377 Q378 K380P375-E377 WeakPolarHBondContact CB-OE2 3.29Å; P375-E377 PolarHBondContact O-N 2.89Å; P375-Q378 WeakPolarHBondContact O-CB 3.1Å; P375-Q378 PolarHBondContact O-N 2.78Å; P375-K380 PolarHBondContact O-NZ 2.87Å
376R90.6Very high96.3Very high70 Ų7020.8 Ų20.826%0.26411%0.107SC..THydrogen-bonded Turntrans-65.6-26-179.9-67.8-62.6-64.2-141.4-3.1112.7R214 Q378 K414 G415 F416 D419R214-R376 PolarHBondContact NH1-O 2.72Å; R376-Q378 VanDerWaalsContact C-N 3.31Å; R376-K414 PolarHBondContact NH1-O 3.38Å; R376-G415 VanDerWaalsContact NH1-C 3.33Å; R376-G415 PolarHBondContact NH1-O 3.4Å; R376-G415 VanDerWaalsContact NH1-O 3.11Å; R376-G415 PolarHBondContact NH2-O 3.14Å; R376-F416 VanDerWaalsContact NH1-CA 3.31Å; R376-D419 IonicContact CZ-OD2 2.66Å; R376-D419 IonicContact NE-OD2 3.96Å; R376-D419 PolarHBondContact NE-OD2 3.35Å; R376-D419 IonicContact NH2-OD2 3.7Å; R376-D419 PolarHBondContact NH2-OD2 3.44Å
377E88.8Confident96Very high143 Ų14320.9 Ų20.967%0.66811%0.108SC*.THydrogen-bonded Turntrans-75-23.6179.3-63.267.9-148.400112P375 P379P375-E377 WeakPolarHBondContact CB-OE2 3.29Å; P375-E377 PolarHBondContact O-N 2.89Å; E377-P379 WeakPolarHBondContact O-CD 3.34Å
378Q92.5Very high95.5Very high11 Ų1121 Ų215%0.05111%0.109CC..SBendtrans-79.3114.2178.1179.656.43700109.8M202 G304 A306 Y374 P375 R376 K380M202-Q378 PolarHBondContact O-OE1 2.75Å; G304-Q378 PolarHBondContact O-NE2 3.37Å; A306-Q378 HydrophobicContact CB-CG 4.21Å; A306-Q378 VanDerWaalsContact N-NE2 3.17Å; Y374-Q378 HydrophobicContact CD1-CG 3.92Å; Y374-Q378 HydrophobicContact CG-CG 4.28Å; P375-Q378 WeakPolarHBondContact O-CB 3.1Å; P375-Q378 PolarHBondContact O-N 2.78Å; R376-Q378 VanDerWaalsContact C-N 3.31Å; Q378-K380 PolarHBondContact O-NZ 2.74Å
379P95.1Very high94.8Very high3 Ų320.6 Ų20.62%0.01911%0.106CC..  trans-71.2144.7177.729.5-32.7000110.9A206 P215 N217 Y305 A306 E377A206-P379 HydrophobicContact CB-CG 3.59Å; P215-P379 HydrophobicContact CB-CB 4.07Å; P215-P379 HydrophobicContact CB-CG 4.47Å; P215-P379 HydrophobicContact CG-CB 4.48Å; P215-P379 HydrophobicContact CG-CG 4.39Å; N217-P379 WeakPolarHBondContact OD1-CA 3.45Å; Y305-P379 CarbonylContact C-O 3.49Å; Y305-P379 WeakPolarHBondContact CA-O 3.29Å; Y305-P379 HydrophobicContact CD1-CB 3.78Å; Y305-P379 HydrophobicContact CD1-CG 4.38Å; Y305-P379 HydrophobicContact CD2-CB 4.02Å; Y305-P379 HydrophobicContact CD2-CG 3.84Å; Y305-P379 HydrophobicContact CE1-CB 3.72Å; Y305-P379 HydrophobicContact CE2-CB 3.95Å; Y305-P379 HydrophobicContact CE2-CG 4.06Å; Y305-P379 HydrophobicContact CG-CB 3.94Å; Y305-P379 HydrophobicContact CG-CG 4.02Å; A306-P379 PolarHBondContact N-O 3.07Å; E377-P379 WeakPolarHBondContact O-CD 3.34Å
380K97.2Very high94.2Very high1 Ų120.7 Ų20.70%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-125.7134.3-170.3-65.8169.6-168.372.20110.8N217 F218 A306 F370 F371 Y374 P375 Q378N217-K380 CarbonylContact C-O 3.59Å; N217-K380 WeakPolarHBondContact CA-O 3.27Å; N217-K380 HydrophobicContact CB-CB 4.17Å; N217-K380 WeakPolarHBondContact CB-O 3.19Å; N217-K380 WeakPolarHBondContact OD1-CB 3.29Å; N217-K380 PolarHBondContact OD1-N 3.3Å; F218-K380 PolarHBondContact N-O 3.01Å; A306-K380 WeakPolarHBondContact O-CA 3.35Å; F370-K380 HydrophobicContact CE1-CB 3.73Å; F370-K380 HydrophobicContact CE1-CD 4.3Å; F370-K380 HydrophobicContact CE1-CG 3.98Å; F370-K380 HydrophobicContact CZ-CB 4.1Å; F370-K380 HydrophobicContact CZ-CG 4.07Å; F371-K380 HydrophobicContact CD1-CD 3.69Å; F371-K380 HydrophobicContact CD2-CD 4.4Å; F371-K380 HydrophobicContact CE1-CB 4.3Å; F371-K380 HydrophobicContact CE1-CD 3.91Å; F371-K380 HydrophobicContact CG-CD 3.96Å; F371-K380 HydrophobicContact CZ-CB 4.18Å; F371-K380 HydrophobicContact CZ-CD 4.36Å; Y374-K380 PolarHBondContact O-NZ 3.38Å; P375-K380 PolarHBondContact O-NZ 2.87Å; Q378-K380 PolarHBondContact O-NZ 2.74Å
381F98.4Very high93.6Very high0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-118.2110.1167.1174.9-92.1000107.8F218 F220 L269 I296 W297 L300 Y305 A306 T307 L308 F383 L486F218-F381 HydrophobicContact CB-CD2 3.71Å; F218-F381 HydrophobicContact CB-CE2 4.31Å; F218-F381 HydrophobicContact CD2-CD2 4.18Å; F218-F381 HydrophobicContact CG-CD2 4.27Å; F218-F381 WeakPolarHBondContact O-CA 3.37Å; F220-F381 HydrophobicContact CD2-CE2 4.3Å; F220-F381 HydrophobicContact CE2-CE2 4.17Å; L269-F381 HydrophobicContact CD2-CZ 3.85Å; I296-F381 HydrophobicContact CG2-CE2 4.17Å; I296-F381 HydrophobicContact CG2-CZ 4.06Å; W297-F381 HydrophobicContact CB-CD1 3.96Å; W297-F381 HydrophobicContact CB-CE1 3.95Å; W297-F381 HydrophobicContact CE3-CE1 4.01Å; W297-F381 HydrophobicContact CE3-CZ 4.5Å; L300-F381 HydrophobicContact CD1-CB 3.81Å; L300-F381 HydrophobicContact CD1-CD1 4.44Å; L300-F381 HydrophobicContact CD1-CD2 3.24Å; L300-F381 HydrophobicContact CD1-CE2 3.93Å; L300-F381 HydrophobicContact CD1-CG 3.57Å; Y305-F381 HydrophobicContact CD1-CB 4.13Å; A306-F381 PolarHBondContact O-N 2.87Å; T307-F381 CarbonylContact C-O 2.97Å; T307-F381 WeakPolarHBondContact CA-O 3.41Å; T307-F381 HydrophobicContact CG2-CB 4.45Å; L308-F381 PolarHBondContact N-O 2.85Å; F381-F383 HydrophobicContact CE1-CB 3.8Å; F381-F383 HydrophobicContact CZ-CB 3.92Å; F381-F383 AromaticContact CZ-CD2 3.98Å; F381-F383 HydrophobicContact CZ-CD2 3.98Å; F381-F383 HydrophobicContact CZ-CG 4.4Å; F381-L486 HydrophobicContact CE2-CD1 4.46Å
382A98.9Very high93.1Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-114.3127.6174.100000109.5F218 Y219 F220 L308 V367 F370 F371F218-A382 PolarHBondContact O-N 3.27Å; Y219-A382 CarbonylContact C-O 3.55Å; Y219-A382 WeakPolarHBondContact CA-O 3.37Å; Y219-A382 HydrophobicContact CD2-CB 3.74Å; Y219-A382 HydrophobicContact CE2-CB 4.36Å; Y219-A382 HydrophobicContact CG-CB 4.43Å; F220-A382 PolarHBondContact N-O 3.45Å; L308-A382 HydrophobicContact CB-CB 4.38Å; L308-A382 HydrophobicContact CD2-CB 4.34Å; V367-A382 HydrophobicContact CG1-CB 4.01Å; F370-A382 HydrophobicContact CD1-CB 4.17Å; F370-A382 HydrophobicContact CE1-CB 4.11Å; F371-A382 HydrophobicContact CE2-CB 3.96Å
383F98.9Very high92.7Very high0 Ų025.9 Ų25.90%013%0.13CC..EExtended strand (participates in β ladder)trans-126.6104.8174.1-163-72.5000109.3F220 L265 I268 L269 L308 Y309 A310 F381 F425F220-F383 HydrophobicContact CB-CB 4.47Å; F220-F383 HydrophobicContact CB-CD2 3.45Å; F220-F383 VanDerWaalsContact CB-CD2 3.45Å; F220-F383 HydrophobicContact CB-CE2 3.62Å; F220-F383 HydrophobicContact CB-CG 3.97Å; F220-F383 HydrophobicContact CB-CZ 4.27Å; F220-F383 HydrophobicContact CD1-CD2 4.1Å; F220-F383 AromaticContact CD1-CE2 3.61Å; F220-F383 HydrophobicContact CD1-CE2 3.61Å; F220-F383 HydrophobicContact CD1-CZ 4.41Å; F220-F383 AromaticContact CD2-CD2 3.62Å; F220-F383 HydrophobicContact CD2-CD2 3.62Å; F220-F383 AromaticContact CD2-CE2 3.97Å; F220-F383 HydrophobicContact CD2-CE2 3.97Å; F220-F383 HydrophobicContact CE1-CE2 4.24Å; F220-F383 HydrophobicContact CE2-CD2 4.38Å; F220-F383 AromaticContact CG-CD2 3.46Å; F220-F383 HydrophobicContact CG-CD2 3.46Å; F220-F383 VanDerWaalsContact CG-CD2 3.46Å; F220-F383 AromaticContact CG-CE2 3.46Å; F220-F383 HydrophobicContact CG-CE2 3.46Å; F220-F383 VanDerWaalsContact CG-CE2 3.46Å; F220-F383 HydrophobicContact CG-CG 4.44Å; F220-F383 HydrophobicContact CG-CZ 4.42Å; L265-F383 HydrophobicContact CD1-CE1 4.13Å; L265-F383 HydrophobicContact CD2-CE1 3.84Å; L265-F383 HydrophobicContact CD2-CZ 3.71Å; I268-F383 HydrophobicContact CG2-CE2 3.84Å; I268-F383 HydrophobicContact CG2-CZ 4.43Å; L269-F383 HydrophobicContact CD1-CE1 4.42Å; L269-F383 HydrophobicContact CD1-CE2 4.49Å; L269-F383 HydrophobicContact CD1-CZ 4.37Å; L269-F383 HydrophobicContact CD2-CD2 3.58Å; L269-F383 HydrophobicContact CD2-CE2 3.75Å; L269-F383 HydrophobicContact CD2-CG 4.12Å; L269-F383 HydrophobicContact CD2-CZ 4.43Å; L269-F383 HydrophobicContact CG-CD2 4.4Å; L269-F383 HydrophobicContact CG-CE2 4.15Å; L269-F383 HydrophobicContact CG-CZ 4.43Å; L308-F383 PolarHBondContact O-N 3.04Å; Y309-F383 CarbonylContact C-O 3.54Å; Y309-F383 WeakPolarHBondContact CA-O 3.14Å; Y309-F383 HydrophobicContact CD2-CB 4.13Å; Y309-F383 AromaticContact CD2-CD1 3.86Å; Y309-F383 HydrophobicContact CD2-CD1 3.86Å; Y309-F383 HydrophobicContact CD2-CG 4.32Å; Y309-F383 AromaticContact CE2-CD1 3.75Å; Y309-F383 HydrophobicContact CE2-CD1 3.75Å; Y309-F383 HydrophobicContact CE2-CE1 4.34Å; A310-F383 PolarHBondContact N-O 2.87Å; F381-F383 HydrophobicContact CE1-CB 3.8Å; F381-F383 HydrophobicContact CZ-CB 3.92Å; F381-F383 AromaticContact CZ-CD2 3.98Å; F381-F383 HydrophobicContact CZ-CD2 3.98Å; F381-F383 HydrophobicContact CZ-CG 4.4Å; F383-F425 HydrophobicContact CE1-CE1 4.29Å; F383-F425 AromaticContact CE1-CZ 3.74Å; F383-F425 HydrophobicContact CE1-CZ 3.74Å; F383-F425 HydrophobicContact CE2-CE1 4.48Å; F383-F425 HydrophobicContact CE2-CZ 4.32Å; F383-F425 AromaticContact CZ-CE1 3.93Å; F383-F425 HydrophobicContact CZ-CE1 3.93Å; F383-F425 HydrophobicContact CZ-CE2 4.23Å; F383-F425 AromaticContact CZ-CZ 3.4Å; F383-F425 HydrophobicContact CZ-CZ 3.4Å; F383-F425 VanDerWaalsContact CZ-CZ 3.4Å
384Q98.1Very high92.5Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-115.1135.9-177.4-177.5178.7-0.700109.6Y219 F220 G222 A310 H363 V367 H386Y219-Q384 HydrophobicContact CE2-CB 4.23Å; Y219-Q384 PolarHBondContact OH-OE1 3.04Å; F220-Q384 PolarHBondContact O-N 2.93Å; G222-Q384 WeakPolarHBondContact CA-O 3.35Å; G222-Q384 PolarHBondContact N-O 2.84Å; A310-Q384 HydrophobicContact CB-CB 4.31Å; A310-Q384 HydrophobicContact CB-CG 4.16Å; A310-Q384 CarbonylContact O-C 3.6Å; A310-Q384 WeakPolarHBondContact O-CA 2.93Å; H363-Q384 PolarHBondContact CD2-NE2 3.33Å; H363-Q384 VanDerWaalsContact CG-NE2 3.31Å; H363-Q384 VanDerWaalsContact NE2-CG 3.34Å; H363-Q384 WeakPolarHBondContact NE2-CG 3.19Å; H363-Q384 PolarHBondContact O-NE2 2.77Å; V367-Q384 HydrophobicContact CG2-CB 4.23Å; V367-Q384 HydrophobicContact CG2-CG 4.46Å; Q384-H386 PolarHBondContact NE2-CE1 2.85Å; Q384-H386 PolarHBondContact NE2-NE2 2.85Å
385I97.6Very high92.4Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-137126.7170.7-173.5167000110.9G222 D224 T261 L265 A310 E311 H363 F425 D427G222-I385 WeakPolarHBondContact O-CA 3.49Å; D224-I385 HydrophobicContact CB-CD1 4.49Å; T261-I385 HydrophobicContact CG2-CD1 3.91Å; L265-I385 HydrophobicContact CD1-CD1 4.15Å; L265-I385 HydrophobicContact CD1-CG2 4.31Å; L265-I385 HydrophobicContact CD2-CD1 4.23Å; A310-I385 PolarHBondContact O-N 3.38Å; E311-I385 HydrophobicContact CB-CG2 3.93Å; E311-I385 HydrophobicContact CG-CG2 3.9Å; H363-I385 PolarHBondContact CE1-O 3.07Å; H363-I385 VanDerWaalsContact CE1-O 3.27Å; I385-F425 HydrophobicContact CD1-CZ 4.49Å; I385-D427 HydrophobicContact CD1-CB 4.26Å
386H95.8Very high92.5Very high4 Ų426.6 Ų26.62%0.01912%0.123CC..EExtended strand (participates in β ladder)trans-91.4118.6174.4-62.8-91.7000110.4G222 F223 D224 Y360 H363 Q384G222-H386 PolarHBondContact O-CD2 3.27Å; G222-H386 PolarHBondContact O-N 2.71Å; F223-H386 HydrophobicContact CD1-CB 4.39Å; D224-H386 PolarHBondContact N-O 3.47Å; Y360-H386 AromaticContact CD2-CE1 3.39Å; Y360-H386 WeakPolarHBondContact CD2-CE1 3.48Å; Y360-H386 AromaticContact CD2-CG 3.96Å; Y360-H386 AromaticContact CD2-ND1 3.3Å; Y360-H386 VanDerWaalsContact CD2-ND1 3.3Å; Y360-H386 WeakPolarHBondContact CD2-ND1 3.46Å; Y360-H386 HydrophobicContact CE2-CB 4.24Å; Y360-H386 AromaticContact CE2-CD2 3.62Å; Y360-H386 AromaticContact CE2-CE1 3.13Å; Y360-H386 WeakPolarHBondContact CE2-CE1 3.45Å; Y360-H386 AromaticContact CE2-CG 3.51Å; Y360-H386 AromaticContact CE2-ND1 3.24Å; Y360-H386 WeakPolarHBondContact CE2-ND1 3.28Å; Y360-H386 AromaticContact CE2-NE2 3.4Å; Y360-H386 WeakPolarHBondContact CE2-NE2 3.41Å; Y360-H386 AromaticContact CZ-CE1 3.78Å; Y360-H386 AromaticContact CZ-NE2 3.77Å; H363-H386 AromaticContact CE1-ND1 3.95Å; H363-H386 AromaticContact CG-CE1 3.58Å; H363-H386 AromaticContact CG-ND1 3.67Å; H363-H386 AromaticContact ND1-CE1 3.67Å; H363-H386 AromaticContact ND1-ND1 3.25Å; H363-H386 PolarHBondContact ND1-ND1 3.27Å; Q384-H386 PolarHBondContact NE2-CE1 2.85Å; Q384-H386 PolarHBondContact NE2-NE2 2.85Å
387V94.1Very high92.6Very high3 Ų323.5 Ų23.52%0.01811%0.112CC..  trans-102.9-47179.2-176.80000111D224 E311 D312 V313 I316 Y389 H391D224-V387 HydrophobicContact CB-CB 4.45Å; D224-V387 HydrophobicContact CB-CG1 4.4Å; D224-V387 HydrophobicContact CB-CG2 4.26Å; E311-V387 HydrophobicContact CG-CG2 4.18Å; D312-V387 VanDerWaalsContact OD1-CA 3.29Å; D312-V387 WeakPolarHBondContact OD1-CA 3.29Å; D312-V387 WeakPolarHBondContact OD1-CB 3.33Å; D312-V387 PolarHBondContact OD1-N 2.87Å; V313-V387 HydrophobicContact CB-CB 4.49Å; V313-V387 HydrophobicContact CB-CG1 4.46Å; V313-V387 HydrophobicContact CG2-CB 4.2Å; V313-V387 HydrophobicContact CG2-CG1 4.37Å; I316-V387 HydrophobicContact CD1-CG1 3.69Å; I316-V387 HydrophobicContact CG1-CG1 4.35Å; V387-Y389 VanDerWaalsContact C-N 3.27Å; V387-Y389 PolarHBondContact O-N 3.46Å; V387-H391 HydrophobicContact CG1-CB 4.14Å; V387-H391 WeakPolarHBondContact O-CB 3.44Å; V387-H391 PolarHBondContact O-N 2.93Å
388G87.4Confident92.9Very high2 Ų218.6 Ų18.62%0.0219%0.089CC..THydrogen-bonded Turntrans-62.4-24.5-165.500000116.5D312 N350D312-G388 PolarHBondContact OD1-N 2.81Å; D312-G388 VanDerWaalsContact OD1-N 3.07Å; N350-G388 PolarHBondContact ND2-O 2.83Å
389Y83.7Confident92.9Very high17 Ų1719.8 Ų19.87%0.06710%0.096CC..THydrogen-bonded Turntrans-76.1-54.8-173.5-94.5-105.4000113.2L114 L352 Y360 V387 R396 L399L114-Y389 WeakPolarHBondContact CD2-OH 3.27Å; L352-Y389 HydrophobicContact CD2-CE2 4.36Å; Y360-Y389 HydrophobicContact CD2-CD2 4.22Å; Y360-Y389 HydrophobicContact CD2-CE2 4.34Å; Y360-Y389 HydrophobicContact CG-CE2 4.38Å; V387-Y389 VanDerWaalsContact C-N 3.27Å; V387-Y389 PolarHBondContact O-N 3.46Å; Y389-R396 VanDerWaalsContact O-CB 3.23Å; Y389-R396 WeakPolarHBondContact O-CB 3.47Å; Y389-L399 HydrophobicContact CD1-CB 3.99Å; Y389-L399 HydrophobicContact CD1-CD1 4.43Å; Y389-L399 HydrophobicContact CE1-CB 3.7Å; Y389-L399 HydrophobicContact CE1-CD1 4.03Å
390S86.2Confident92.9Very high6 Ų619.8 Ų19.84%0.04210%0.096CC..THydrogen-bonded Turntrans-106.5-9.1-168.286.40000114.8D224 S225 V226 D392 D393 F394D224-S390 PolarHBondContact O-OG 2.68Å; S225-S390 PolarHBondContact N-OG 3.27Å; V226-S390 WeakPolarHBondContact CG2-OG 3.28Å; S390-D392 PolarHBondContact O-N 3.03Å; S390-D393 WeakPolarHBondContact CA-O 3.41Å; S390-D393 CarbonylContact O-C 3.55Å; S390-F394 PolarHBondContact O-N 2.95Å
391H85.4Confident92.8Very high49 Ų4920.3 Ų20.323%0.22710%0.099CC..SBendtrans-56.3-48.9-180179.8-80000112.4D224 V387D224-H391 IonicContact OD1-CD2 2.67Å; D224-H391 IonicContact OD2-CD2 3.15Å; V387-H391 HydrophobicContact CG1-CB 4.14Å; V387-H391 WeakPolarHBondContact O-CB 3.44Å; V387-H391 PolarHBondContact O-N 2.93Å
392D85.9Confident92.6Very high97 Ų9722.2 Ų22.252%0.51912%0.118SC..SBendtrans-88.2-29.6-177.2-62.7-26.2000113.2S390S390-D392 PolarHBondContact O-N 3.03Å
393D89.6Confident92.5Very high41 Ų4123.5 Ų23.522%0.21913%0.127CC..  trans-142.8106.8176.5179.36000110.5S390 N395 R396S390-D393 WeakPolarHBondContact CA-O 3.41Å; S390-D393 CarbonylContact O-C 3.55Å; D393-N395 PolarHBondContact O-N 3.4Å; D393-N395 VanDerWaalsContact O-N 3.08Å; D393-N395 WeakPolarHBondContact OD1-CB 3.19Å; D393-N395 PolarHBondContact OD1-N 2.8Å; D393-N395 PolarHBondContact OD1-ND2 3.08Å; D393-R396 HydrophobicContact CB-CG 4.06Å; D393-R396 WeakPolarHBondContact O-CB 2.98Å; D393-R396 PolarHBondContact O-N 3.25Å
394F91.1Very high92.4Very high21 Ų2123.5 Ų23.59%0.09213%0.127CC..G310 helixtrans-62.3-17.9-179.564.3-94000113.3L107 F108 S390 A397 L435L107-F394 HydrophobicContact CB-CZ 4.04Å; L107-F394 WeakPolarHBondContact O-CZ 3.3Å; F108-F394 AromaticContact CD1-CD2 3.95Å; F108-F394 HydrophobicContact CD1-CD2 3.95Å; F108-F394 AromaticContact CD1-CE2 3.62Å; F108-F394 HydrophobicContact CD1-CE2 3.62Å; F108-F394 HydrophobicContact CD2-CE2 4.49Å; F108-F394 AromaticContact CE1-CD2 3.69Å; F108-F394 HydrophobicContact CE1-CD2 3.69Å; F108-F394 AromaticContact CE1-CE2 3.65Å; F108-F394 HydrophobicContact CE1-CE2 3.65Å; F108-F394 HydrophobicContact CG-CE2 4.08Å; F108-F394 HydrophobicContact CZ-CD2 4.37Å; F108-F394 HydrophobicContact CZ-CE2 4.13Å; S390-F394 PolarHBondContact O-N 2.95Å; F394-A397 VanDerWaalsContact O-CB 3.31Å; F394-A397 WeakPolarHBondContact O-CB 3.15Å; F394-L435 HydrophobicContact CD1-CD1 3.89Å; F394-L435 HydrophobicContact CD1-CG 4.44Å; F394-L435 HydrophobicContact CD2-CD1 4.03Å; F394-L435 HydrophobicContact CE1-CD1 3.91Å; F394-L435 HydrophobicContact CE1-CG 4Å; F394-L435 HydrophobicContact CE2-CD1 4.05Å; F394-L435 HydrophobicContact CE2-CD2 4.47Å; F394-L435 HydrophobicContact CE2-CG 4.44Å; F394-L435 HydrophobicContact CG-CD1 3.95Å; F394-L435 HydrophobicContact CZ-CD1 3.99Å; F394-L435 HydrophobicContact CZ-CD2 4.22Å; F394-L435 HydrophobicContact CZ-CG 4Å
395N93.9Very high92.4Very high3 Ų324.3 Ų24.32%0.01613%0.131CC..G310 helixtrans-73.1-29.9175.6-69-72000112.4L107 F108 H109 V111 K234 D393 A397 E398L107-N395 PolarHBondContact O-ND2 3.04Å; F108-N395 VanDerWaalsContact CA-OD1 3.32Å; F108-N395 WeakPolarHBondContact CA-OD1 3.44Å; H109-N395 PolarHBondContact CE1-ND2 3.03Å; H109-N395 PolarHBondContact N-OD1 3.32Å; H109-N395 PolarHBondContact ND1-ND2 3.48Å; H109-N395 PolarHBondContact O-OD1 3.49Å; H109-N395 VanDerWaalsContact O-OD1 3.07Å; V111-N395 HydrophobicContact CG1-CB 3.75Å; K234-N395 WeakPolarHBondContact CE-OD1 3.16Å; K234-N395 PolarHBondContact NZ-OD1 2.89Å; K234-N395 VanDerWaalsContact NZ-OD1 3.12Å; D393-N395 PolarHBondContact O-N 3.4Å; D393-N395 VanDerWaalsContact O-N 3.08Å; D393-N395 WeakPolarHBondContact OD1-CB 3.19Å; D393-N395 PolarHBondContact OD1-N 2.8Å; D393-N395 PolarHBondContact OD1-ND2 3.08Å; N395-A397 PolarHBondContact O-N 3Å; N395-A397 VanDerWaalsContact O-N 3.11Å; N395-E398 VanDerWaalsContact O-CG 3.28Å; N395-E398 WeakPolarHBondContact O-CG 3.18Å; N395-E398 PolarHBondContact O-N 3.23Å
396R92.6Very high92.4Very high88 Ų8830 Ų3033%0.33216%0.158SC..G310 helixtrans-65.7-12.5177.6-70.4-179.2179.6-172.2-4.6113.9V111 Y389 D393 E398 L399V111-R396 HydrophobicContact CG1-CG 4.41Å; Y389-R396 VanDerWaalsContact O-CB 3.23Å; Y389-R396 WeakPolarHBondContact O-CB 3.47Å; D393-R396 HydrophobicContact CB-CG 4.06Å; D393-R396 WeakPolarHBondContact O-CB 2.98Å; D393-R396 PolarHBondContact O-N 3.25Å; R396-E398 PolarHBondContact O-N 3.14Å; R396-E398 VanDerWaalsContact O-N 3.1Å; R396-L399 WeakPolarHBondContact O-CB 3.47Å; R396-L399 PolarHBondContact O-N 2.75Å
397A93.6Very high92.6Very high4 Ų429.9 Ų29.93%0.03316%0.157CC..G310 helixtrans-52.1-29.3170.400000112.3V226 K234 L235 F394 N395 L399 A400V226-A397 HydrophobicContact CG2-CB 4.37Å; K234-A397 HydrophobicContact CB-CB 3.97Å; K234-A397 HydrophobicContact CG-CB 4.49Å; L235-A397 HydrophobicContact CD1-CB 3.82Å; L235-A397 WeakPolarHBondContact CD1-O 3.37Å; F394-A397 VanDerWaalsContact O-CB 3.31Å; F394-A397 WeakPolarHBondContact O-CB 3.15Å; N395-A397 PolarHBondContact O-N 3Å; N395-A397 VanDerWaalsContact O-N 3.11Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 2.65Å; A397-A400 WeakPolarHBondContact O-CB 3.38Å; A397-A400 PolarHBondContact O-N 2.95Å; A397-A400 VanDerWaalsContact O-N 3.17Å
398E94.9Very high92.8Very high40 Ų4029.7 Ų29.719%0.18716%0.156CC..G310 helixtrans-67.6-22.8178.172.1-171.3-135.400114.9S110 V111 K234 N395 R396 A400 D401S110-E398 WeakPolarHBondContact CA-OE1 3.49Å; S110-E398 WeakPolarHBondContact CA-OE2 3.4Å; S110-E398 WeakPolarHBondContact CB-OE1 3.38Å; V111-E398 HydrophobicContact CG2-CG 3.66Å; V111-E398 WeakPolarHBondContact CG2-OE1 3.45Å; V111-E398 PolarHBondContact N-OE1 3.16Å; K234-E398 HydrophobicContact CB-CB 4.33Å; K234-E398 HydrophobicContact CD-CB 4.01Å; K234-E398 WeakPolarHBondContact CD-OE2 3.33Å; K234-E398 IonicContact NZ-OE2 3.05Å; K234-E398 PolarHBondContact NZ-OE2 3.44Å; K234-E398 VanDerWaalsContact O-CA 3.23Å; K234-E398 WeakPolarHBondContact O-CA 3.39Å; K234-E398 WeakPolarHBondContact O-CB 3.46Å; N395-E398 VanDerWaalsContact O-CG 3.28Å; N395-E398 WeakPolarHBondContact O-CG 3.18Å; N395-E398 PolarHBondContact O-N 3.23Å; R396-E398 PolarHBondContact O-N 3.14Å; R396-E398 VanDerWaalsContact O-N 3.1Å; E398-A400 PolarHBondContact O-N 2.88Å; E398-D401 WeakPolarHBondContact O-CB 3.38Å; E398-D401 PolarHBondContact O-N 3.4Å; E398-D401 VanDerWaalsContact O-N 3.14Å
399L93.2Very high93.3Very high37 Ų3733.7 Ų33.719%0.19417%0.173CC..G310 helixtrans-68.1-19.9175.6-62.5177000112V111 Y389 R396 A397 P403V111-L399 HydrophobicContact CG2-CD1 4.03Å; V111-L399 HydrophobicContact CG2-CD2 3.77Å; V111-L399 HydrophobicContact CG2-CG 3.66Å; Y389-L399 HydrophobicContact CD1-CB 3.99Å; Y389-L399 HydrophobicContact CD1-CD1 4.43Å; Y389-L399 HydrophobicContact CE1-CB 3.7Å; Y389-L399 HydrophobicContact CE1-CD1 4.03Å; R396-L399 WeakPolarHBondContact O-CB 3.47Å; R396-L399 PolarHBondContact O-N 2.75Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 2.65Å; L399-P403 WeakPolarHBondContact O-CD 3.23Å
400A93.8Very high94.1Very high2 Ų234.9 Ų34.92%0.01718%0.179CC..G310 helixtrans-82.2-15.1175.300000113F223 L235 Y360 A397 E398 T404F223-A400 HydrophobicContact CE1-CB 4.11Å; L235-A400 HydrophobicContact CD2-CB 4.31Å; Y360-A400 HydrophobicContact CD2-CB 4.33Å; Y360-A400 HydrophobicContact CE1-CB 3.95Å; Y360-A400 HydrophobicContact CE2-CB 3.78Å; A397-A400 WeakPolarHBondContact O-CB 3.38Å; A397-A400 PolarHBondContact O-N 2.95Å; A397-A400 VanDerWaalsContact O-N 3.17Å; E398-A400 PolarHBondContact O-N 2.88Å; A400-T404 VanDerWaalsContact O-CB 3.23Å; A400-T404 WeakPolarHBondContact O-CB 3.34Å; A400-T404 PolarHBondContact O-N 3.01Å; A400-T404 PolarHBondContact O-OG1 3.43Å
401D95.8Very high94.7Very high13 Ų1334.6 Ų34.67%0.0718%0.177CC..Hα-helixtrans-61.4-56.7-169.2-162.617.6000112.2L235 K236 E237 T238 E398 T404 V405L235-D401 VanDerWaalsContact CA-CG 3.45Å; L235-D401 VanDerWaalsContact CA-OD1 3.31Å; L235-D401 WeakPolarHBondContact CA-OD1 3.33Å; K236-D401 WeakPolarHBondContact CG-OD2 3.26Å; K236-D401 PolarHBondContact N-OD1 3.09Å; K236-D401 PolarHBondContact N-OD2 3.34Å; E237-D401 PolarHBondContact N-OD1 2.93Å; E237-D401 PolarHBondContact N-OD2 2.83Å; T238-D401 VanDerWaalsContact CB-OD1 3.28Å; T238-D401 WeakPolarHBondContact CB-OD1 3.47Å; T238-D401 PolarHBondContact N-OD1 3.31Å; T238-D401 PolarHBondContact OG1-O 3.08Å; T238-D401 VanDerWaalsContact OG1-O 3.09Å; T238-D401 PolarHBondContact OG1-OD1 2.9Å; E398-D401 WeakPolarHBondContact O-CB 3.38Å; E398-D401 PolarHBondContact O-N 3.4Å; E398-D401 VanDerWaalsContact O-N 3.14Å; D401-T404 PolarHBondContact O-N 3.48Å; D401-V405 WeakPolarHBondContact O-CG2 3.39Å; D401-V405 PolarHBondContact O-N 3.07Å; D401-V405 VanDerWaalsContact O-N 3.08Å
402G95.3Very high95.3Very high40 Ų4036 Ų3641%0.41218%0.183SC..Hα-helixtrans-58.6-55.5178.800000113.1T404 V405 E406G402-T404 VanDerWaalsContact C-N 3.28Å; G402-T404 PolarHBondContact O-N 3.04Å; G402-V405 WeakPolarHBondContact O-CB 3.13Å; G402-V405 PolarHBondContact O-N 2.55Å; G402-V405 VanDerWaalsContact O-N 3.1Å; G402-E406 PolarHBondContact O-N 3.3Å
403P95.1Very high95.9Very high27 Ų2738.7 Ų38.718%0.17519%0.193CC..Hα-helixtrans-63.3-30.3-179.8-24.735000113.8Y360 Q361 L364 L399 E406 H407Y360-P403 HydrophobicContact CD1-CB 3.66Å; Y360-P403 HydrophobicContact CD1-CG 4.23Å; Y360-P403 HydrophobicContact CE1-CB 3.7Å; Q361-P403 HydrophobicContact CG-CB 4.24Å; L364-P403 HydrophobicContact CD1-CB 4.28Å; L399-P403 WeakPolarHBondContact O-CD 3.23Å; P403-E406 PolarHBondContact O-N 3.37Å; P403-H407 WeakPolarHBondContact O-CB 3.45Å; P403-H407 PolarHBondContact O-N 2.9Å
404T97.5Very high96.3Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-66.2-42.6172.7-53.60000111.2L221 F223 T238 Y360 A400 D401 G402 E406 H407 L408L221-T404 HydrophobicContact CD2-CG2 4.03Å; F223-T404 HydrophobicContact CZ-CG2 4.06Å; T238-T404 HydrophobicContact CG2-CG2 3.48Å; T238-T404 VanDerWaalsContact CG2-CG2 3.48Å; Y360-T404 PolarHBondContact OH-OG1 3.08Å; A400-T404 VanDerWaalsContact O-CB 3.23Å; A400-T404 WeakPolarHBondContact O-CB 3.34Å; A400-T404 PolarHBondContact O-N 3.01Å; A400-T404 PolarHBondContact O-OG1 3.43Å; D401-T404 PolarHBondContact O-N 3.48Å; G402-T404 VanDerWaalsContact C-N 3.28Å; G402-T404 PolarHBondContact O-N 3.04Å; T404-E406 VanDerWaalsContact C-N 3.34Å; T404-E406 PolarHBondContact O-N 2.92Å; T404-H407 WeakPolarHBondContact O-CB 3.4Å; T404-H407 PolarHBondContact O-N 3.1Å; T404-L408 HydrophobicContact CG2-CD1 4.25Å; T404-L408 HydrophobicContact CG2-CG 4.37Å; T404-L408 WeakPolarHBondContact O-CG 3.39Å; T404-L408 PolarHBondContact O-N 3.48Å
405V98.5Very high96.6Very high17 Ų1742.6 Ų42.610%0.10321%0.212CC..Hα-helixtrans-61-44.6176.3171.30000111E237 Y241 D401 G402 H407 L408 K409E237-V405 HydrophobicContact CB-CG2 3.91Å; Y241-V405 HydrophobicContact CD2-CG1 4.25Å; Y241-V405 HydrophobicContact CG-CG1 4.49Å; D401-V405 WeakPolarHBondContact O-CG2 3.39Å; D401-V405 PolarHBondContact O-N 3.07Å; D401-V405 VanDerWaalsContact O-N 3.08Å; G402-V405 WeakPolarHBondContact O-CB 3.13Å; G402-V405 PolarHBondContact O-N 2.55Å; G402-V405 VanDerWaalsContact O-N 3.1Å; V405-H407 VanDerWaalsContact C-N 3.31Å; V405-H407 PolarHBondContact O-N 2.61Å; V405-L408 PolarHBondContact O-N 3.37Å; V405-K409 HydrophobicContact CG1-CD 4.12Å; V405-K409 WeakPolarHBondContact O-CB 3.24Å; V405-K409 WeakPolarHBondContact O-CG 3.39Å; V405-K409 PolarHBondContact O-N 3.3Å
406E98.3Very high96.8Very high119 Ų11943.2 Ų43.256%0.55621%0.214SC*.Hα-helixtrans-59.8-42.2176.4-70174.7177.900111.8G402 P403 T404 K409 F410G402-E406 PolarHBondContact O-N 3.3Å; P403-E406 PolarHBondContact O-N 3.37Å; T404-E406 VanDerWaalsContact C-N 3.34Å; T404-E406 PolarHBondContact O-N 2.92Å; E406-K409 WeakPolarHBondContact O-CB 3.38Å; E406-K409 PolarHBondContact O-N 3.42Å; E406-F410 PolarHBondContact O-N 3.49Å
407H98.6Very high97.1Very high1 Ų139.5 Ų39.51%0.00520%0.201CC..Hα-helixtrans-63.4-44.9175.8-174.576.9000112.7Y219 L364 E368 P403 T404 V405 K409 F410 F411Y219-H407 AromaticContact CE1-NE2 3.39Å; Y219-H407 WeakPolarHBondContact CE1-NE2 3.43Å; Y219-H407 AromaticContact CZ-NE2 3.46Å; Y219-H407 PolarHBondContact OH-NE2 3.27Å; L364-H407 HydrophobicContact CD1-CB 3.95Å; L364-H407 HydrophobicContact CD2-CB 4.26Å; L364-H407 PolarHBondContact O-CE1 2.91Å; E368-H407 WeakPolarHBondContact CG-ND1 3.37Å; E368-H407 IonicContact OE1-CE1 2.85Å; E368-H407 IonicContact OE1-CG 2.82Å; E368-H407 IonicContact OE1-ND1 2.87Å; E368-H407 PolarHBondContact OE1-ND1 3.44Å; P403-H407 WeakPolarHBondContact O-CB 3.45Å; P403-H407 PolarHBondContact O-N 2.9Å; T404-H407 WeakPolarHBondContact O-CB 3.4Å; T404-H407 PolarHBondContact O-N 3.1Å; V405-H407 VanDerWaalsContact C-N 3.31Å; V405-H407 PolarHBondContact O-N 2.61Å; H407-K409 VanDerWaalsContact C-N 3.34Å; H407-K409 PolarHBondContact O-N 3.09Å; H407-F410 WeakPolarHBondContact O-CB 3.4Å; H407-F410 PolarHBondContact O-N 3.25Å; H407-F411 AromaticContact CE1-CD2 3.98Å; H407-F411 AromaticContact CE1-CE2 3.4Å; H407-F411 VanDerWaalsContact CE1-CE2 3.4Å; H407-F411 WeakPolarHBondContact CE1-CE2 3.4Å; H407-F411 AromaticContact NE2-CD2 3.78Å; H407-F411 AromaticContact NE2-CE2 3.38Å; H407-F411 WeakPolarHBondContact NE2-CE2 3.47Å; H407-F411 WeakPolarHBondContact O-CD2 3.4Å; H407-F411 PolarHBondContact O-N 3.37Å
408L98.8Very high97.2Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-63.8-39.8176.4-68.2176.9000111.9T238 Y241 I242 L246 T404 V405 F411 Q412 L422T238-L408 HydrophobicContact CG2-CD1 4.16Å; Y241-L408 HydrophobicContact CD1-CB 3.76Å; Y241-L408 HydrophobicContact CD1-CD1 4.01Å; Y241-L408 HydrophobicContact CE1-CB 3.73Å; I242-L408 HydrophobicContact CD1-CD1 4.32Å; I242-L408 HydrophobicContact CG1-CD1 3.79Å; L246-L408 HydrophobicContact CD1-CB 4.31Å; L246-L408 HydrophobicContact CD1-CD1 4.39Å; L246-L408 HydrophobicContact CD1-CD2 4.28Å; T404-L408 HydrophobicContact CG2-CD1 4.25Å; T404-L408 HydrophobicContact CG2-CG 4.37Å; T404-L408 WeakPolarHBondContact O-CG 3.39Å; T404-L408 PolarHBondContact O-N 3.48Å; V405-L408 PolarHBondContact O-N 3.37Å; L408-F411 PolarHBondContact O-N 3.31Å; L408-Q412 PolarHBondContact O-N 3.03Å; L408-L422 HydrophobicContact CD2-CD2 3.67Å
409K98.7Very high97.3Very high86 Ų8641.6 Ų41.637%0.37421%0.213SC..Hα-helixtrans-59.8-47.6172.3-78.6173.6176.9-179.50111.6Y241 V405 E406 H407 F411 Q412 E413Y241-K409 HydrophobicContact CE1-CG 4.34Å; Y241-K409 HydrophobicContact CE2-CD 4.38Å; Y241-K409 HydrophobicContact CE2-CG 3.71Å; Y241-K409 VanDerWaalsContact CZ-CG 3.5Å; Y241-K409 WeakPolarHBondContact OH-CG 3.41Å; V405-K409 HydrophobicContact CG1-CD 4.12Å; V405-K409 WeakPolarHBondContact O-CB 3.24Å; V405-K409 WeakPolarHBondContact O-CG 3.39Å; V405-K409 PolarHBondContact O-N 3.3Å; E406-K409 WeakPolarHBondContact O-CB 3.38Å; E406-K409 PolarHBondContact O-N 3.42Å; H407-K409 VanDerWaalsContact C-N 3.34Å; H407-K409 PolarHBondContact O-N 3.09Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 2.81Å; K409-Q412 PolarHBondContact O-N 3.36Å; K409-Q412 VanDerWaalsContact O-N 3.09Å; K409-E413 WeakPolarHBondContact O-CB 3.3Å; K409-E413 WeakPolarHBondContact O-CG 3.49Å; K409-E413 PolarHBondContact O-N 3.15Å
410F98.7Very high97.6Very high42 Ų4239.9 Ų39.918%0.18420%0.204CC..Hα-helixtrans-54-47175.7171.2-90000111.5E368 E406 H407 Q412 K414 F416E368-F410 HydrophobicContact CB-CD1 4.11Å; E368-F410 HydrophobicContact CB-CE1 3.58Å; E368-F410 HydrophobicContact CB-CZ 3.88Å; E368-F410 HydrophobicContact CG-CD1 3.67Å; E368-F410 HydrophobicContact CG-CE1 3.68Å; E368-F410 HydrophobicContact CG-CG 4.3Å; E368-F410 HydrophobicContact CG-CZ 4.31Å; E406-F410 PolarHBondContact O-N 3.49Å; H407-F410 WeakPolarHBondContact O-CB 3.4Å; H407-F410 PolarHBondContact O-N 3.25Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.09Å; F410-K414 HydrophobicContact CD2-CG 3.95Å; F410-K414 HydrophobicContact CE1-CG 4.43Å; F410-K414 HydrophobicContact CE2-CD 4.45Å; F410-K414 HydrophobicContact CE2-CG 3.77Å; F410-K414 HydrophobicContact CG-CG 4.38Å; F410-K414 HydrophobicContact CZ-CG 4.02Å; F410-K414 VanDerWaalsContact O-CB 3.25Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 VanDerWaalsContact O-CG 3.27Å; F410-K414 WeakPolarHBondContact O-CG 3.34Å; F410-K414 PolarHBondContact O-N 2.73Å; F410-F416 HydrophobicContact CD1-CD2 4.36Å; F410-F416 HydrophobicContact CD1-CE2 4.38Å; F410-F416 AromaticContact CE1-CD2 3.84Å; F410-F416 HydrophobicContact CE1-CD2 3.84Å; F410-F416 AromaticContact CE1-CE2 3.49Å; F410-F416 HydrophobicContact CE1-CE2 3.49Å; F410-F416 VanDerWaalsContact CE1-CE2 3.49Å; F410-F416 AromaticContact CZ-CE2 3.75Å; F410-F416 HydrophobicContact CZ-CE2 3.75Å
411F98.7Very high97.8Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-62.9-37.6178-93-98.2000113.4Y219 V367 E368 F371 H407 L408 K409 G415 F416 L417Y219-F411 HydrophobicContact CD1-CD1 4.31Å; Y219-F411 AromaticContact CD1-CE1 3.75Å; Y219-F411 HydrophobicContact CD1-CE1 3.75Å; Y219-F411 HydrophobicContact CD1-CE2 4.42Å; Y219-F411 AromaticContact CD1-CZ 3.83Å; Y219-F411 HydrophobicContact CD1-CZ 3.83Å; Y219-F411 HydrophobicContact CE1-CD2 4.42Å; Y219-F411 HydrophobicContact CE1-CE1 4.07Å; Y219-F411 AromaticContact CE1-CE2 3.89Å; Y219-F411 HydrophobicContact CE1-CE2 3.89Å; Y219-F411 AromaticContact CE1-CZ 3.69Å; Y219-F411 HydrophobicContact CE1-CZ 3.69Å; V367-F411 HydrophobicContact CG1-CZ 4.07Å; E368-F411 HydrophobicContact CG-CE2 4.31Å; F371-F411 HydrophobicContact CB-CE1 4.31Å; F371-F411 HydrophobicContact CB-CZ 4.22Å; F371-F411 AromaticContact CD1-CE1 3.75Å; F371-F411 HydrophobicContact CD1-CE1 3.75Å; F371-F411 HydrophobicContact CD1-CZ 4.37Å; F371-F411 AromaticContact CD2-CE1 3.66Å; F371-F411 HydrophobicContact CD2-CE1 3.66Å; F371-F411 AromaticContact CD2-CZ 3.51Å; F371-F411 HydrophobicContact CD2-CZ 3.51Å; F371-F411 AromaticContact CE1-CE1 3.9Å; F371-F411 HydrophobicContact CE1-CE1 3.9Å; F371-F411 AromaticContact CE2-CE1 3.8Å; F371-F411 HydrophobicContact CE2-CE1 3.8Å; F371-F411 AromaticContact CE2-CZ 3.89Å; F371-F411 HydrophobicContact CE2-CZ 3.89Å; F371-F411 AromaticContact CG-CE1 3.62Å; F371-F411 HydrophobicContact CG-CE1 3.62Å; F371-F411 AromaticContact CG-CZ 3.77Å; F371-F411 HydrophobicContact CG-CZ 3.77Å; F371-F411 AromaticContact CZ-CE1 3.92Å; F371-F411 HydrophobicContact CZ-CE1 3.92Å; F371-F411 HydrophobicContact CZ-CZ 4.47Å; H407-F411 AromaticContact CE1-CD2 3.98Å; H407-F411 AromaticContact CE1-CE2 3.4Å; H407-F411 VanDerWaalsContact CE1-CE2 3.4Å; H407-F411 WeakPolarHBondContact CE1-CE2 3.4Å; H407-F411 AromaticContact NE2-CD2 3.78Å; H407-F411 AromaticContact NE2-CE2 3.38Å; H407-F411 WeakPolarHBondContact NE2-CE2 3.47Å; H407-F411 WeakPolarHBondContact O-CD2 3.4Å; H407-F411 PolarHBondContact O-N 3.37Å; L408-F411 PolarHBondContact O-N 3.31Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 2.81Å; F411-G415 PolarHBondContact O-N 2.67Å; F411-F416 HydrophobicContact CB-CB 4.5Å; F411-F416 HydrophobicContact CD1-CB 3.52Å; F411-F416 HydrophobicContact CD1-CD2 4.37Å; F411-F416 HydrophobicContact CD1-CG 4.33Å; F411-F416 HydrophobicContact CE1-CB 4.02Å; F411-F416 HydrophobicContact CG-CB 4.26Å; F411-F416 WeakPolarHBondContact O-CA 3.41Å; F411-F416 PolarHBondContact O-N 3.23Å; F411-L417 HydrophobicContact CB-CD2 3.98Å; F411-L417 HydrophobicContact CB-CG 4.04Å; F411-L417 HydrophobicContact CD1-CD2 4.34Å; F411-L417 PolarHBondContact O-N 2.69Å
412Q98.5Very high98Very high78 Ų7839.2 Ų39.236%0.36420%0.2SC..Hα-helixtrans-71.6-52.2176.6-178.3175.6-7.100112.1Y241 L246 L408 K409 F410 K414 G415 L417Y241-Q412 PolarHBondContact OH-OE1 3.37Å; L246-Q412 HydrophobicContact CD2-CB 4.38Å; L246-Q412 HydrophobicContact CD2-CG 4.41Å; L408-Q412 PolarHBondContact O-N 3.03Å; K409-Q412 PolarHBondContact O-N 3.36Å; K409-Q412 VanDerWaalsContact O-N 3.09Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.09Å; Q412-K414 PolarHBondContact O-N 2.7Å; Q412-G415 WeakPolarHBondContact O-CA 3.49Å; Q412-G415 PolarHBondContact O-N 3.47Å; Q412-L417 HydrophobicContact CB-CD1 3.92Å
413E98.3Very high98.1Very high154 Ų15437.6 Ų37.672%0.7218%0.182SC*.Hα-helixtrans-67-36.1-174.6-69.7175.1-176.900112.5K409 G415K409-E413 WeakPolarHBondContact O-CB 3.3Å; K409-E413 WeakPolarHBondContact O-CG 3.49Å; K409-E413 PolarHBondContact O-N 3.15Å; E413-G415 PolarHBondContact O-N 2.6Å
414K97.9Very high98.3Very high129 Ų12936.3 Ų36.356%0.56117%0.174SC*.THydrogen-bonded Turntrans-78.21.1171.4-61.1-62.9-175.1-177.60112.9R376 F410 Q412 F416R376-K414 PolarHBondContact NH1-O 3.38Å; F410-K414 HydrophobicContact CD2-CG 3.95Å; F410-K414 HydrophobicContact CE1-CG 4.43Å; F410-K414 HydrophobicContact CE2-CD 4.45Å; F410-K414 HydrophobicContact CE2-CG 3.77Å; F410-K414 HydrophobicContact CG-CG 4.38Å; F410-K414 HydrophobicContact CZ-CG 4.02Å; F410-K414 VanDerWaalsContact O-CB 3.25Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 VanDerWaalsContact O-CG 3.27Å; F410-K414 WeakPolarHBondContact O-CG 3.34Å; F410-K414 PolarHBondContact O-N 2.73Å; Q412-K414 PolarHBondContact O-N 2.7Å; K414-F416 HydrophobicContact CB-CD2 3.5Å; K414-F416 VanDerWaalsContact CB-CD2 3.5Å; K414-F416 HydrophobicContact CB-CE2 3.36Å; K414-F416 HydrophobicContact CB-CG 4.3Å; K414-F416 HydrophobicContact CB-CZ 4.07Å; K414-F416 HydrophobicContact CG-CD2 4.36Å; K414-F416 HydrophobicContact CG-CE2 3.92Å; K414-F416 PolarHBondContact O-N 3.01Å
415G97.9Very high98.4Very high14 Ų1436.3 Ų36.314%0.14417%0.174CC..THydrogen-bonded Turntrans66.315.7178.900000113.9R376 F411 Q412 E413 L417 N418R376-G415 VanDerWaalsContact NH1-C 3.33Å; R376-G415 PolarHBondContact NH1-O 3.4Å; R376-G415 VanDerWaalsContact NH1-O 3.11Å; R376-G415 PolarHBondContact NH2-O 3.14Å; F411-G415 PolarHBondContact O-N 2.67Å; Q412-G415 WeakPolarHBondContact O-CA 3.49Å; Q412-G415 PolarHBondContact O-N 3.47Å; E413-G415 PolarHBondContact O-N 2.6Å; G415-L417 PolarHBondContact O-N 3.2Å; G415-N418 WeakPolarHBondContact O-CB 2.98Å; G415-N418 PolarHBondContact O-N 3.25Å; G415-N418 VanDerWaalsContact O-N 3.15Å
416F98.3Very high98.3Very high16 Ų1635.5 Ų35.57%0.0717%0.169CC..G310 helixtrans-62.3-30.2177.8-67-54.7000112.3F371 R376 F410 F411 K414 N418 D419 T420F371-F416 HydrophobicContact CB-CD1 4.02Å; F371-F416 HydrophobicContact CB-CD2 4.21Å; F371-F416 HydrophobicContact CB-CE1 3.99Å; F371-F416 HydrophobicContact CB-CE2 4.17Å; F371-F416 HydrophobicContact CB-CG 4.16Å; F371-F416 HydrophobicContact CB-CZ 4.08Å; F371-F416 HydrophobicContact CD1-CB 4.21Å; F371-F416 HydrophobicContact CD1-CD1 4.03Å; F371-F416 HydrophobicContact CD1-CG 4.17Å; F371-F416 VanDerWaalsContact O-CE1 3.23Å; F371-F416 WeakPolarHBondContact O-CE1 3.43Å; R376-F416 VanDerWaalsContact NH1-CA 3.31Å; F410-F416 HydrophobicContact CD1-CD2 4.36Å; F410-F416 HydrophobicContact CD1-CE2 4.38Å; F410-F416 AromaticContact CE1-CD2 3.84Å; F410-F416 HydrophobicContact CE1-CD2 3.84Å; F410-F416 AromaticContact CE1-CE2 3.49Å; F410-F416 HydrophobicContact CE1-CE2 3.49Å; F410-F416 VanDerWaalsContact CE1-CE2 3.49Å; F410-F416 AromaticContact CZ-CE2 3.75Å; F410-F416 HydrophobicContact CZ-CE2 3.75Å; F411-F416 HydrophobicContact CB-CB 4.5Å; F411-F416 HydrophobicContact CD1-CB 3.52Å; F411-F416 HydrophobicContact CD1-CD2 4.37Å; F411-F416 HydrophobicContact CD1-CG 4.33Å; F411-F416 HydrophobicContact CE1-CB 4.02Å; F411-F416 HydrophobicContact CG-CB 4.26Å; F411-F416 WeakPolarHBondContact O-CA 3.41Å; F411-F416 PolarHBondContact O-N 3.23Å; K414-F416 HydrophobicContact CB-CD2 3.5Å; K414-F416 VanDerWaalsContact CB-CD2 3.5Å; K414-F416 HydrophobicContact CB-CE2 3.36Å; K414-F416 HydrophobicContact CB-CG 4.3Å; K414-F416 HydrophobicContact CB-CZ 4.07Å; K414-F416 HydrophobicContact CG-CD2 4.36Å; K414-F416 HydrophobicContact CG-CE2 3.92Å; K414-F416 PolarHBondContact O-N 3.01Å; F416-N418 PolarHBondContact O-N 2.96Å; F416-D419 PolarHBondContact O-N 3.47Å; F416-T420 WeakPolarHBondContact O-CB 3.19Å; F416-T420 PolarHBondContact O-OG1 3.22Å
417L98.4Very high98.3Very high10 Ų1030 Ų305%0.05214%0.143CC..G310 helixtrans-65.2-19.7174.9-61.7-176.1000114L246 F411 Q412 G415 D419 T420 L422 P455L246-L417 HydrophobicContact CD1-CD1 4.18Å; L246-L417 HydrophobicContact CD2-CD1 3.55Å; L246-L417 HydrophobicContact CG-CD1 4.49Å; F411-L417 HydrophobicContact CB-CD2 3.98Å; F411-L417 HydrophobicContact CB-CG 4.04Å; F411-L417 HydrophobicContact CD1-CD2 4.34Å; F411-L417 PolarHBondContact O-N 2.69Å; Q412-L417 HydrophobicContact CB-CD1 3.92Å; G415-L417 PolarHBondContact O-N 3.2Å; L417-D419 PolarHBondContact O-N 3.21Å; L417-D419 VanDerWaalsContact O-N 3.09Å; L417-T420 PolarHBondContact O-N 2.87Å; L417-L422 HydrophobicContact CD2-CB 4.35Å; L417-L422 HydrophobicContact CD2-CD2 3.94Å; L417-P455 WeakPolarHBondContact O-CA 3.47Å
418N97Very high98.2Very high77 Ų7730.1 Ų30.141%0.41214%0.144SC..G310 helixtrans-64-17178.2-69.5-19.7000113.8G415 F416 P455 W457G415-N418 WeakPolarHBondContact O-CB 2.98Å; G415-N418 PolarHBondContact O-N 3.25Å; G415-N418 VanDerWaalsContact O-N 3.15Å; F416-N418 PolarHBondContact O-N 2.96Å; N418-P455 WeakPolarHBondContact O-CB 3.47Å; N418-W457 PolarHBondContact O-NE1 2.87Å
419D96.4Very high98Very high12 Ų1230.1 Ų30.16%0.06414%0.144CC..G310 helixtrans-130.214.6-178.2-61.1-51.8000112.5R214 N217 R376 F416 L417R214-D419 IonicContact CZ-OD1 3.98Å; R214-D419 IonicContact CZ-OD2 3.4Å; R214-D419 IonicContact NE-OD1 3.69Å; R214-D419 PolarHBondContact NE-OD1 2.91Å; R214-D419 IonicContact NH1-OD1 2.72Å; R214-D419 IonicContact NH1-OD2 3.57Å; R214-D419 PolarHBondContact NH1-OD2 2.86Å; R214-D419 IonicContact NH2-OD1 3.7Å; R214-D419 PolarHBondContact NH2-OD1 3.35Å; R214-D419 IonicContact NH2-OD2 3.98Å; R214-D419 PolarHBondContact NH2-OD2 2.91Å; N217-D419 PolarHBondContact N-O 3Å; N217-D419 PolarHBondContact ND2-O 3.2Å; R376-D419 IonicContact CZ-OD2 2.66Å; R376-D419 IonicContact NE-OD2 3.96Å; R376-D419 PolarHBondContact NE-OD2 3.35Å; R376-D419 IonicContact NH2-OD2 3.7Å; R376-D419 PolarHBondContact NH2-OD2 3.44Å; F416-D419 PolarHBondContact O-N 3.47Å; L417-D419 PolarHBondContact O-N 3.21Å; L417-D419 VanDerWaalsContact O-N 3.09Å
420T98.5Very high97.6Very high0 Ų026.6 Ų26.60%013%0.13CC..EExtended strand (participates in β ladder)trans-126.7128.9-168.5-54.20000111N217 F371 F416 L417 P455N217-T420 HydrophobicContact CB-CG2 4.01Å; N217-T420 WeakPolarHBondContact CB-OG1 3.49Å; N217-T420 PolarHBondContact ND2-OG1 3.17Å; N217-T420 WeakPolarHBondContact O-CA 3.49Å; F371-T420 HydrophobicContact CE1-CG2 4.41Å; F371-T420 HydrophobicContact CZ-CG2 4.39Å; F416-T420 WeakPolarHBondContact O-CB 3.19Å; F416-T420 PolarHBondContact O-OG1 3.22Å; L417-T420 PolarHBondContact O-N 2.87Å; T420-P455 WeakPolarHBondContact O-CD 3.32Å
421V98.7Very high96.9Very high2 Ų226.9 Ų26.91%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-86109.7160176.70000107.1L216 N217 F218 Y219 I423 I452 L454 L489L216-V421 HydrophobicContact CD1-CG2 3.93Å; N217-V421 PolarHBondContact O-N 3.33Å; F218-V421 HydrophobicContact CD1-CB 4.46Å; Y219-V421 PolarHBondContact N-O 3.47Å; V421-I423 HydrophobicContact CG1-CD1 4.32Å; V421-I452 HydrophobicContact CG1-CD1 4.06Å; V421-I452 HydrophobicContact CG1-CG1 4.21Å; V421-L454 HydrophobicContact CG1-CD2 4.19Å; V421-L454 HydrophobicContact CG2-CD2 4.16Å; V421-L489 HydrophobicContact CB-CD1 4.37Å; V421-L489 HydrophobicContact CG1-CD1 4.44Å; V421-L489 HydrophobicContact CG2-CD1 3.83Å
422L98.9Very high95.8Very high0 Ų035.4 Ų35.40%016%0.164CC..EExtended strand (participates in β ladder)trans-99.6125.8-179.4167.762.6000109.6Y219 L221 L408 L417 V424 I453Y219-L422 HydrophobicContact CD1-CD1 3.54Å; Y219-L422 HydrophobicContact CE1-CD1 4.06Å; Y219-L422 HydrophobicContact CG-CD1 3.86Å; Y219-L422 CarbonylContact O-C 3.47Å; Y219-L422 WeakPolarHBondContact O-CA 3.33Å; Y219-L422 WeakPolarHBondContact O-CD1 3.34Å; L221-L422 HydrophobicContact CB-CD1 4.32Å; L408-L422 HydrophobicContact CD2-CD2 3.67Å; L417-L422 HydrophobicContact CD2-CB 4.35Å; L417-L422 HydrophobicContact CD2-CD2 3.94Å; L422-V424 HydrophobicContact CD1-CG2 4.2Å; L422-V424 HydrophobicContact CD2-CG2 4.29Å; L422-V424 HydrophobicContact CG-CG2 4.11Å; L422-I453 HydrophobicContact CB-CB 4.18Å; L422-I453 HydrophobicContact CB-CD1 4.42Å; L422-I453 HydrophobicContact CD2-CD1 3.97Å; L422-I453 HydrophobicContact CG-CD1 3.9Å; L422-I453 PolarHBondContact N-O 3.04Å; L422-I453 PolarHBondContact O-N 3.44Å
423I98.9Very high95Very high5 Ų532.9 Ų32.93%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-112.4109.8172.9-55.1-62000108Y219 F220 L221 V421 F425 V450 S451 I452 L482Y219-I423 PolarHBondContact O-N 2.9Å; F220-I423 CarbonylContact C-O 3.37Å; F220-I423 WeakPolarHBondContact CA-O 3.47Å; F220-I423 HydrophobicContact CD1-CB 3.62Å; F220-I423 HydrophobicContact CD1-CG1 4.1Å; F220-I423 HydrophobicContact CD1-CG2 3.76Å; F220-I423 HydrophobicContact CE1-CB 3.73Å; F220-I423 HydrophobicContact CE1-CG1 3.72Å; F220-I423 HydrophobicContact CE1-CG2 3.81Å; F220-I423 HydrophobicContact CG-CB 4.2Å; F220-I423 HydrophobicContact CZ-CB 4.39Å; F220-I423 HydrophobicContact CZ-CG1 3.95Å; L221-I423 PolarHBondContact N-O 3.44Å; V421-I423 HydrophobicContact CG1-CD1 4.32Å; I423-F425 HydrophobicContact CG2-CB 4.1Å; I423-F425 HydrophobicContact CG2-CD1 4.44Å; I423-V450 HydrophobicContact CG2-CG1 4.23Å; I423-S451 WeakPolarHBondContact CA-O 3.37Å; I423-I452 HydrophobicContact CD1-CB 3.6Å; I423-I452 HydrophobicContact CD1-CD1 3.78Å; I423-I452 HydrophobicContact CD1-CG1 3.53Å; I423-L482 HydrophobicContact CG2-CD1 4.48Å
424V98.9Very high94.4Very high0 Ų027.2 Ų27.20%013%0.134CC..EExtended strand (participates in β ladder)trans-92.6122.8168.6-173.80000107.2L221 F223 F231 I242 L422 F449 V450 S451 I453L221-V424 HydrophobicContact CB-CG2 4.49Å; L221-V424 HydrophobicContact CD2-CG2 4.49Å; L221-V424 CarbonylContact O-C 3.55Å; L221-V424 WeakPolarHBondContact O-CA 3.04Å; F223-V424 HydrophobicContact CE2-CG1 3.95Å; F231-V424 HydrophobicContact CE2-CG1 4.4Å; F231-V424 HydrophobicContact CZ-CG1 4.18Å; I242-V424 HydrophobicContact CD1-CB 3.97Å; I242-V424 HydrophobicContact CD1-CG1 3.89Å; I242-V424 HydrophobicContact CD1-CG2 3.93Å; I242-V424 HydrophobicContact CG1-CG2 4.49Å; L422-V424 HydrophobicContact CD1-CG2 4.2Å; L422-V424 HydrophobicContact CD2-CG2 4.29Å; L422-V424 HydrophobicContact CG-CG2 4.11Å; V424-F449 HydrophobicContact CB-CE1 4.23Å; V424-F449 HydrophobicContact CG1-CD1 4.44Å; V424-F449 HydrophobicContact CG1-CE1 4.01Å; V424-V450 CarbonylContact O-C 3.58Å; V424-V450 WeakPolarHBondContact O-CA 3.48Å; V424-S451 PolarHBondContact N-O 2.83Å; V424-S451 VanDerWaalsContact N-O 3.09Å; V424-S451 PolarHBondContact O-N 3.46Å; V424-I453 HydrophobicContact CG2-CD1 3.94Å
425F98.7Very high93.9Very high0 Ų021.2 Ų21.20%011%0.108CC..EExtended strand (participates in β ladder)trans-147.2166.3-170.680.9-72.1000113.9F220 L221 G222 F223 L265 I268 F383 I385 I423 F449 V450F220-F425 HydrophobicContact CB-CD1 4.28Å; F220-F425 HydrophobicContact CB-CE1 3.82Å; F220-F425 HydrophobicContact CD1-CD1 4.15Å; F220-F425 HydrophobicContact CD1-CE1 4.16Å; L221-F425 WeakPolarHBondContact O-CD1 3.26Å; L221-F425 PolarHBondContact O-N 3.24Å; G222-F425 CarbonylContact C-O 3.59Å; G222-F425 WeakPolarHBondContact CA-O 3.4Å; F223-F425 PolarHBondContact N-O 2.97Å; L265-F425 HydrophobicContact CD2-CE2 3.71Å; L265-F425 HydrophobicContact CD2-CZ 3.91Å; I268-F425 HydrophobicContact CD1-CD2 4.3Å; I268-F425 HydrophobicContact CD1-CE2 4.12Å; F383-F425 HydrophobicContact CE1-CE1 4.29Å; F383-F425 AromaticContact CE1-CZ 3.74Å; F383-F425 HydrophobicContact CE1-CZ 3.74Å; F383-F425 HydrophobicContact CE2-CE1 4.48Å; F383-F425 HydrophobicContact CE2-CZ 4.32Å; F383-F425 AromaticContact CZ-CE1 3.93Å; F383-F425 HydrophobicContact CZ-CE1 3.93Å; F383-F425 HydrophobicContact CZ-CE2 4.23Å; F383-F425 AromaticContact CZ-CZ 3.4Å; F383-F425 HydrophobicContact CZ-CZ 3.4Å; F383-F425 VanDerWaalsContact CZ-CZ 3.4Å; I385-F425 HydrophobicContact CD1-CZ 4.49Å; I423-F425 HydrophobicContact CG2-CB 4.1Å; I423-F425 HydrophobicContact CG2-CD1 4.44Å; F425-F449 CarbonylContact C-O 3.31Å; F425-F449 VanDerWaalsContact CA-O 3.28Å; F425-F449 WeakPolarHBondContact CA-O 3.33Å; F425-V450 HydrophobicContact CB-CB 4.41Å; F425-V450 HydrophobicContact CB-CG1 4.09Å; F425-V450 HydrophobicContact CB-CG2 4.1Å
426S98.2Very high93.5Very high0 Ų023.8 Ų23.80%011%0.113CC..EExtended strand (participates in β ladder)trans-127150.3165.9-60.60000109.5F223 V226 P448 F449F223-S426 WeakPolarHBondContact O-CA 3.38Å; F223-S426 WeakPolarHBondContact O-CB 3.45Å; F223-S426 PolarHBondContact O-OG 3.2Å; V226-S426 WeakPolarHBondContact O-CB 3.32Å; V226-S426 PolarHBondContact O-OG 3.05Å; S426-P448 WeakPolarHBondContact O-CB 3.39Å; S426-F449 PolarHBondContact N-O 3.07Å
427D97.6Very high93.1Very high3 Ų331.9 Ų31.92%0.01614%0.143CC..SBendtrans-75.5-42.3-177.363.3-22.7000112.3D224 T261 A264 I385D224-D427 WeakPolarHBondContact CA-OD1 3.41Å; T261-D427 WeakPolarHBondContact CA-OD2 3.42Å; T261-D427 WeakPolarHBondContact CB-OD2 2.96Å; T261-D427 HydrophobicContact CG2-CB 4.14Å; T261-D427 VanDerWaalsContact CG2-OD2 3.27Å; T261-D427 WeakPolarHBondContact CG2-OD2 3.24Å; T261-D427 PolarHBondContact OG1-OD2 2.99Å; A264-D427 HydrophobicContact CB-CB 3.7Å; A264-D427 WeakPolarHBondContact CB-O 3.34Å; I385-D427 HydrophobicContact CD1-CB 4.26Å
428H96.6Very high92.8Very high4 Ų431.6 Ų31.62%0.01914%0.142CC..  trans-160.8173.3173.850.972.7000110.1D224 S225 V226 V256 G260 T261 R431D224-H428 IonicContact OD1-CE1 3.95Å; S225-H428 CarbonylContact C-O 3.49Å; S225-H428 WeakPolarHBondContact CA-O 3.37Å; S225-H428 WeakPolarHBondContact CB-CE1 3.32Å; S225-H428 WeakPolarHBondContact CB-ND1 3.26Å; S225-H428 VanDerWaalsContact CB-O 3.3Å; S225-H428 WeakPolarHBondContact CB-O 3.45Å; V226-H428 PolarHBondContact N-O 2.75Å; V256-H428 HydrophobicContact CG1-CB 3.99Å; G260-H428 WeakPolarHBondContact CA-CD2 3.28Å; G260-H428 VanDerWaalsContact CA-NE2 3.34Å; G260-H428 WeakPolarHBondContact CA-NE2 3.48Å; T261-H428 PolarHBondContact N-CD2 3.1Å; T261-H428 PolarHBondContact N-NE2 3.17Å; H428-R431 WeakPolarHBondContact CE1-CD 3.35Å; H428-R431 WeakPolarHBondContact ND1-CD 3.32Å; H428-R431 WeakPolarHBondContact NE2-CD 3.39Å
429G94.8Very high92.6Very high0 Ų034.2 Ų34.20%015%0.15CC..SBendtrans-82.7-177.4165.700000112.6S225 R431 E445S225-G429 CarbonylContact O-C 3.55Å; G429-R431 PolarHBondContact O-N 3.34Å; G429-E445 PolarHBondContact N-O 2.74Å
430S90.7Very high92.4Very high13 Ų1334.3 Ų34.39%0.09115%0.15CC..  trans-61.5126.8-174.6-172.50000113.6S225 S433 R436S225-S430 PolarHBondContact O-N 3.06Å; S430-S433 WeakPolarHBondContact CB-OG 3.4Å; S430-S433 WeakPolarHBondContact OG-CB 2.92Å; S430-S433 PolarHBondContact OG-OG 2.68Å; S430-R436 WeakPolarHBondContact O-CD 3.46Å; S430-R436 WeakPolarHBondContact O-CG 3.38Å
431R82.6Confident92.2Very high48 Ų4834.4 Ų34.418%0.18115%0.151CC..SBendtrans-98-31.8-176.1-70.3168.767.9-148-0.1114.8D259 G260 H428 G429 E445D259-R431 IonicContact OD1-CZ 2.85Å; D259-R431 IonicContact OD1-NE 3.83Å; D259-R431 PolarHBondContact OD1-NE 3.07Å; D259-R431 IonicContact OD1-NH2 3.75Å; D259-R431 PolarHBondContact OD1-NH2 2.69Å; D259-R431 IonicContact OD2-CZ 3.31Å; D259-R431 IonicContact OD2-NH2 2.66Å; D259-R431 PolarHBondContact OD2-NH2 3.06Å; G260-R431 VanDerWaalsContact CA-NH1 3.33Å; H428-R431 WeakPolarHBondContact CE1-CD 3.35Å; H428-R431 WeakPolarHBondContact ND1-CD 3.32Å; H428-R431 WeakPolarHBondContact NE2-CD 3.39Å; G429-R431 PolarHBondContact O-N 3.34Å; R431-E445 WeakPolarHBondContact CA-OE2 3.43Å; R431-E445 HydrophobicContact CG-CG 4.13Å
432Y76.6Confident92Very high179 Ų17938.8 Ų38.870%0.70217%0.17SC*.SBendtrans-120.826.6-170.7-58.3-67.1000113.9
433S81Confident91.7Very high25 Ų2539.5 Ų39.518%0.17517%0.174CC..SBendtrans-109166.6-179.967.90000113.4S430 L435 R436S430-S433 WeakPolarHBondContact CB-OG 3.4Å; S430-S433 WeakPolarHBondContact OG-CB 2.92Å; S430-S433 PolarHBondContact OG-OG 2.68Å; S433-L435 PolarHBondContact O-N 3.46Å; S433-L435 VanDerWaalsContact O-N 3.08Å; S433-L435 WeakPolarHBondContact OG-CB 3.33Å; S433-L435 PolarHBondContact OG-N 2.94Å; S433-R436 PolarHBondContact O-N 2.89Å; S433-R436 VanDerWaalsContact O-N 3.13Å
434A86.8Confident91.5Very high34 Ų3439.5 Ų39.528%0.28117%0.173SC..G310 helixtrans-54.4-23.6171.600000113.7L107 R436 R437L107-A434 HydrophobicContact CD1-CB 3.72Å; L107-A434 HydrophobicContact CD2-CB 3.92Å; L107-A434 HydrophobicContact CG-CB 4.46Å; A434-R436 PolarHBondContact O-N 3.29Å; A434-R437 WeakPolarHBondContact O-CB 3.25Å; A434-R437 PolarHBondContact O-N 3.28Å; A434-R437 PolarHBondContact O-NE 3.07Å
435L87.6Confident91.4Very high4 Ų439.8 Ų39.82%0.02118%0.175CC..G310 helixtrans-55.5-38.1176.9-63.3171.6000111.3I104 L107 F108 F394 S433 R437 A438 G441I104-L435 HydrophobicContact CB-CD2 3.77Å; I104-L435 HydrophobicContact CG2-CD2 4.21Å; L107-L435 HydrophobicContact CB-CD2 4.27Å; L107-L435 HydrophobicContact CD1-CD2 3.87Å; L107-L435 HydrophobicContact CD1-CG 4.38Å; F108-L435 HydrophobicContact CD2-CD2 4.41Å; F108-L435 HydrophobicContact CE2-CD2 3.57Å; F108-L435 HydrophobicContact CZ-CD1 4.13Å; F108-L435 HydrophobicContact CZ-CD2 3.84Å; F394-L435 HydrophobicContact CD1-CD1 3.89Å; F394-L435 HydrophobicContact CD1-CG 4.44Å; F394-L435 HydrophobicContact CD2-CD1 4.03Å; F394-L435 HydrophobicContact CE1-CD1 3.91Å; F394-L435 HydrophobicContact CE1-CG 4Å; F394-L435 HydrophobicContact CE2-CD1 4.05Å; F394-L435 HydrophobicContact CE2-CD2 4.47Å; F394-L435 HydrophobicContact CE2-CG 4.44Å; F394-L435 HydrophobicContact CG-CD1 3.95Å; F394-L435 HydrophobicContact CZ-CD1 3.99Å; F394-L435 HydrophobicContact CZ-CD2 4.22Å; F394-L435 HydrophobicContact CZ-CG 4Å; S433-L435 PolarHBondContact O-N 3.46Å; S433-L435 VanDerWaalsContact O-N 3.08Å; S433-L435 WeakPolarHBondContact OG-CB 3.33Å; S433-L435 PolarHBondContact OG-N 2.94Å; L435-R437 PolarHBondContact O-N 2.78Å; L435-A438 PolarHBondContact O-N 2.66Å; L435-G441 WeakPolarHBondContact O-CA 3.5Å
436R89.3Confident91.2Very high67 Ų6742.4 Ų42.425%0.25319%0.185SC..G310 helixtrans-66.4-8.2-177-73.8-72.1-63.6-163.4-21.3114.7S430 S433 A434 K442 E445S430-R436 WeakPolarHBondContact O-CD 3.46Å; S430-R436 WeakPolarHBondContact O-CG 3.38Å; S433-R436 PolarHBondContact O-N 2.89Å; S433-R436 VanDerWaalsContact O-N 3.13Å; A434-R436 PolarHBondContact O-N 3.29Å; R436-K442 PolarHBondContact NH1-O 2.99Å; R436-K442 WeakPolarHBondContact O-CE 3.27Å; R436-K442 WeakPolarHBondContact O-CG 3.47Å; R436-E445 WeakPolarHBondContact CD-OE2 3.27Å; R436-E445 IonicContact CZ-OE1 3.01Å; R436-E445 IonicContact CZ-OE2 3.65Å; R436-E445 IonicContact NE-OE2 2.75Å; R436-E445 PolarHBondContact NE-OE2 2.91Å; R436-E445 VanDerWaalsContact NH1-CB 3.35Å; R436-E445 IonicContact NH1-OE1 3.73Å; R436-E445 PolarHBondContact NH1-OE1 3.21Å; R436-E445 IonicContact NH1-OE2 2.73Å; R436-E445 PolarHBondContact NH1-OE2 2.88Å; R436-E445 IonicContact NH2-OE1 2.82Å; R436-E445 PolarHBondContact NH2-OE1 3.38Å; R436-E445 IonicContact NH2-OE2 2.65Å; R436-E445 PolarHBondContact NH2-OE2 3.29Å
437R89.9Confident91.1Very high187 Ų18742.5 Ų42.571%0.70619%0.185SC*.G310 helixtrans-71.9-34.6171.8-64.3-173.4-74.1-176.7-2111.6A434 L435A434-R437 WeakPolarHBondContact O-CB 3.25Å; A434-R437 PolarHBondContact O-N 3.28Å; A434-R437 PolarHBondContact O-NE 3.07Å; L435-R437 PolarHBondContact O-N 2.78Å
438A92.1Very high91.1Very high3 Ų342.4 Ų42.43%0.02519%0.185CC..SBendtrans-80.9156.8-179.200000113.2E103 I104 L435 Q440 K442E103-A438 HydrophobicContact CB-CB 4.41Å; E103-A438 HydrophobicContact CG-CB 3.89Å; E103-A438 WeakPolarHBondContact OE1-CA 3.37Å; E103-A438 WeakPolarHBondContact OE1-CB 3.26Å; E103-A438 WeakPolarHBondContact OE2-CB 3.38Å; I104-A438 HydrophobicContact CG2-CB 3.42Å; I104-A438 VanDerWaalsContact CG2-CB 3.42Å; L435-A438 PolarHBondContact O-N 2.66Å; A438-Q440 VanDerWaalsContact C-N 3.32Å; A438-Q440 PolarHBondContact O-N 3.07Å; A438-K442 WeakPolarHBondContact O-CG 3.39Å; A438-K442 PolarHBondContact O-N 3.07Å
439K91.6Very high91.2Very high132 Ų13242.2 Ų42.257%0.57418%0.184SC*.Hα-helixtrans-59.3-46.6172-177.4-174.6176.7-172.60110.1K442 L443 S531K439-K442 PolarHBondContact O-N 2.8Å; K439-L443 PolarHBondContact O-N 3.37Å; K439-S531 PolarHBondContact NZ-OXT 2.82Å
440Q93.3Very high91.4Very high14 Ų1442.2 Ų42.27%0.06518%0.184CC..Hα-helixtrans-65.3-43.3-176.6-176.9160.7-55.800112.4N98 I104 A438 K442 L443 E444N98-Q440 PolarHBondContact O-NE2 2.89Å; I104-Q440 HydrophobicContact CD1-CB 4.39Å; I104-Q440 HydrophobicContact CD1-CG 4.01Å; A438-Q440 VanDerWaalsContact C-N 3.32Å; A438-Q440 PolarHBondContact O-N 3.07Å; Q440-K442 PolarHBondContact O-N 2.84Å; Q440-L443 CarbonylContact O-C 3.4Å; Q440-L443 WeakPolarHBondContact O-CA 3.33Å; Q440-L443 WeakPolarHBondContact O-CB 3.41Å; Q440-L443 PolarHBondContact O-N 2.71Å; Q440-E444 HydrophobicContact CG-CG 4.06Å; Q440-E444 PolarHBondContact NE2-OE1 3.32Å; Q440-E444 PolarHBondContact O-N 3.41Å
441G93.9Very high91.8Very high2 Ų241.6 Ų41.62%0.02118%0.18CC..Hα-helixtrans-60.9-30.6177.200000113.3L435 E445L435-G441 WeakPolarHBondContact O-CA 3.5Å; G441-E445 PolarHBondContact O-N 3.13Å; G441-E445 VanDerWaalsContact O-N 3.16Å
442K93.2Very high92.6Very high94 Ų9439.4 Ų39.441%0.40917%0.172SC..Hα-helixtrans-69.9-30.7172.4-66.4170.9-172.1169.40113.5R436 A438 K439 Q440 R446R436-K442 PolarHBondContact NH1-O 2.99Å; R436-K442 WeakPolarHBondContact O-CE 3.27Å; R436-K442 WeakPolarHBondContact O-CG 3.47Å; A438-K442 WeakPolarHBondContact O-CG 3.39Å; A438-K442 PolarHBondContact O-N 3.07Å; K439-K442 PolarHBondContact O-N 2.8Å; Q440-K442 PolarHBondContact O-N 2.84Å; K442-R446 PolarHBondContact O-NH1 2.72Å
443L93.7Very high93.6Very high16 Ų1631.1 Ų31.18%0.08414%0.139CC..Hα-helixtrans-77-43.1173.5-66.7174.2000110.7K439 Q440 E445 R446 N447 S531K439-L443 PolarHBondContact O-N 3.37Å; Q440-L443 CarbonylContact O-C 3.4Å; Q440-L443 WeakPolarHBondContact O-CA 3.33Å; Q440-L443 WeakPolarHBondContact O-CB 3.41Å; Q440-L443 PolarHBondContact O-N 2.71Å; L443-E445 VanDerWaalsContact C-N 3.27Å; L443-E445 PolarHBondContact O-N 3.28Å; L443-R446 WeakPolarHBondContact O-CA 3.46Å; L443-R446 WeakPolarHBondContact O-CB 3.09Å; L443-R446 PolarHBondContact O-N 2.8Å; L443-N447 PolarHBondContact O-N 3.33Å; L443-N447 PolarHBondContact O-OD1 3.23Å; L443-S531 VanDerWaalsContact CD2-CB 3.44Å
444E95.4Very high94.5Very high4 Ų431.3 Ų31.32%0.01914%0.138CC..Hα-helixtrans-58.8-33.6177.9-76.2-165.7-153.600113.1I104 S227 M229 S230 R233 Q440 R446 N447I104-E444 VanDerWaalsContact CD1-OE1 3.25Å; I104-E444 WeakPolarHBondContact CD1-OE1 3.46Å; S227-E444 WeakPolarHBondContact CB-O 3.23Å; S227-E444 PolarHBondContact OG-OE2 2.85Å; M229-E444 VanDerWaalsContact CB-CD 3.44Å; M229-E444 HydrophobicContact CB-CG 4.07Å; M229-E444 WeakPolarHBondContact CB-OE1 3.05Å; M229-E444 HydrophobicContact CG-CG 4.08Å; S230-E444 PolarHBondContact OG-OE2 3.23Å; R233-E444 IonicContact CZ-OE1 2.72Å; R233-E444 IonicContact NH1-OE1 3.46Å; R233-E444 PolarHBondContact NH1-OE1 3.47Å; R233-E444 IonicContact NH1-OE2 3.38Å; R233-E444 PolarHBondContact NH1-OE2 2.9Å; R233-E444 IonicContact NH2-OE1 3.02Å; R233-E444 PolarHBondContact NH2-OE1 3.24Å; Q440-E444 HydrophobicContact CG-CG 4.06Å; Q440-E444 PolarHBondContact NE2-OE1 3.32Å; Q440-E444 PolarHBondContact O-N 3.41Å; E444-R446 PolarHBondContact O-N 2.91Å; E444-N447 PolarHBondContact O-N 3.5Å
445E95.2Very high95Very high6 Ų629.8 Ų29.83%0.02813%0.125CC..THydrogen-bonded Turntrans-55.7-37.9170.1-179.4179.49400112.7G429 R431 R436 G441 L443 W526G429-E445 PolarHBondContact N-O 2.74Å; R431-E445 WeakPolarHBondContact CA-OE2 3.43Å; R431-E445 HydrophobicContact CG-CG 4.13Å; R436-E445 WeakPolarHBondContact CD-OE2 3.27Å; R436-E445 IonicContact CZ-OE1 3.01Å; R436-E445 IonicContact CZ-OE2 3.65Å; R436-E445 IonicContact NE-OE2 2.75Å; R436-E445 PolarHBondContact NE-OE2 2.91Å; R436-E445 VanDerWaalsContact NH1-CB 3.35Å; R436-E445 IonicContact NH1-OE1 3.73Å; R436-E445 PolarHBondContact NH1-OE1 3.21Å; R436-E445 IonicContact NH1-OE2 2.73Å; R436-E445 PolarHBondContact NH1-OE2 2.88Å; R436-E445 IonicContact NH2-OE1 2.82Å; R436-E445 PolarHBondContact NH2-OE1 3.38Å; R436-E445 IonicContact NH2-OE2 2.65Å; R436-E445 PolarHBondContact NH2-OE2 3.29Å; G441-E445 PolarHBondContact O-N 3.13Å; G441-E445 VanDerWaalsContact O-N 3.16Å; L443-E445 VanDerWaalsContact C-N 3.27Å; L443-E445 PolarHBondContact O-N 3.28Å; E445-W526 WeakPolarHBondContact OE1-CH2 3.31Å; E445-W526 WeakPolarHBondContact OE1-CZ3 3.43Å
446R95.8Very high95.4Very high55 Ų5533.9 Ų33.921%0.20815%0.152CC..THydrogen-bonded Turntrans-88.7-13.8-171.7-57.2-178.7174.4109.8-15.8113.6N255 V256 K442 L443 E444 P448 H525 W526N255-R446 WeakPolarHBondContact CA-O 3.37Å; V256-R446 HydrophobicContact CG2-CB 4Å; V256-R446 HydrophobicContact CG2-CG 4.24Å; V256-R446 PolarHBondContact N-O 3.49Å; K442-R446 PolarHBondContact O-NH1 2.72Å; L443-R446 WeakPolarHBondContact O-CA 3.46Å; L443-R446 WeakPolarHBondContact O-CB 3.09Å; L443-R446 PolarHBondContact O-N 2.8Å; E444-R446 PolarHBondContact O-N 2.91Å; R446-P448 VanDerWaalsContact C-CD 3.42Å; R446-P448 WeakPolarHBondContact O-CD 3.35Å; R446-H525 PolarHBondContact NE-O 3.25Å; R446-H525 VanDerWaalsContact NE-O 3.17Å; R446-H525 PolarHBondContact NH2-O 3.11Å; R446-W526 WeakPolarHBondContact CD-O 3.3Å; R446-W526 HydrophobicContact CG-CE3 4.01Å; R446-W526 HydrophobicContact CG-CZ3 4.33Å
447N96.5Very high95.8Very high2 Ų234.3 Ų34.31%0.01115%0.154CC..SBendtrans-121.173.1-176.7-59.6122.1000110.1R228 Y254 L443 E444 S528R228-N447 PolarHBondContact N-O 3.18Å; Y254-N447 PolarHBondContact O-ND2 2.04Å; L443-N447 PolarHBondContact O-N 3.33Å; L443-N447 PolarHBondContact O-OD1 3.23Å; E444-N447 PolarHBondContact O-N 3.5Å; N447-S528 PolarHBondContact ND2-OG 2.86Å; N447-S528 VanDerWaalsContact ND2-OG 3.17Å
448P97.7Very high96.1Very high2 Ų225.4 Ų25.41%0.01312%0.12CC..BIsolated β-bridgetrans-65.1161.917427.7-33.6000112.1Y254 V256 S426 R446Y254-P448 HydrophobicContact CD1-CG 3.71Å; Y254-P448 HydrophobicContact CE1-CG 3.87Å; V256-P448 HydrophobicContact CG1-CG 3.93Å; S426-P448 WeakPolarHBondContact O-CB 3.39Å; R446-P448 VanDerWaalsContact C-CD 3.42Å; R446-P448 WeakPolarHBondContact O-CD 3.35Å
449F98.2Very high96.3Very high0 Ų031.2 Ų31.20%015%0.147CC..  trans-70.4132.6170.5-177.7-100.7000110.1V226 R228 F231 Y239 I242 V250 V424 F425 S426V226-F449 PolarHBondContact O-N 3.02Å; R228-F449 HydrophobicContact CG-CD2 4.38Å; F231-F449 HydrophobicContact CB-CB 3.63Å; F231-F449 HydrophobicContact CB-CD2 4Å; F231-F449 HydrophobicContact CB-CG 3.82Å; F231-F449 HydrophobicContact CD1-CB 4.5Å; F231-F449 AromaticContact CD1-CD1 3.96Å; F231-F449 HydrophobicContact CD1-CD1 3.96Å; F231-F449 AromaticContact CD1-CD2 3.79Å; F231-F449 HydrophobicContact CD1-CD2 3.79Å; F231-F449 HydrophobicContact CD1-CE1 4.09Å; F231-F449 AromaticContact CD1-CE2 3.95Å; F231-F449 HydrophobicContact CD1-CE2 3.95Å; F231-F449 AromaticContact CD1-CG 3.8Å; F231-F449 HydrophobicContact CD1-CG 3.8Å; F231-F449 HydrophobicContact CD1-CZ 4.08Å; F231-F449 HydrophobicContact CD2-CB 3.65Å; F231-F449 AromaticContact CD2-CD1 3.55Å; F231-F449 HydrophobicContact CD2-CD1 3.55Å; F231-F449 HydrophobicContact CD2-CD2 4.39Å; F231-F449 HydrophobicContact CD2-CE1 4.31Å; F231-F449 AromaticContact CD2-CG 3.59Å; F231-F449 HydrophobicContact CD2-CG 3.59Å; F231-F449 AromaticContact CE1-CD1 3.93Å; F231-F449 HydrophobicContact CE1-CD1 3.93Å; F231-F449 HydrophobicContact CE1-CD2 4.38Å; F231-F449 AromaticContact CE1-CE1 3.71Å; F231-F449 HydrophobicContact CE1-CE1 3.71Å; F231-F449 HydrophobicContact CE1-CE2 4.21Å; F231-F449 HydrophobicContact CE1-CG 4.25Å; F231-F449 AromaticContact CE1-CZ 3.86Å; F231-F449 HydrophobicContact CE1-CZ 3.86Å; F231-F449 HydrophobicContact CE2-CB 4.44Å; F231-F449 AromaticContact CE2-CD1 3.5Å; F231-F449 HydrophobicContact CE2-CD1 3.5Å; F231-F449 AromaticContact CE2-CE1 3.94Å; F231-F449 HydrophobicContact CE2-CE1 3.94Å; F231-F449 HydrophobicContact CE2-CG 4.05Å; F231-F449 HydrophobicContact CG-CB 3.68Å; F231-F449 AromaticContact CG-CD1 3.78Å; F231-F449 HydrophobicContact CG-CD1 3.78Å; F231-F449 AromaticContact CG-CD2 3.8Å; F231-F449 HydrophobicContact CG-CD2 3.8Å; F231-F449 HydrophobicContact CG-CE1 4.37Å; F231-F449 HydrophobicContact CG-CE2 4.42Å; F231-F449 AromaticContact CG-CG 3.45Å; F231-F449 HydrophobicContact CG-CG 3.45Å; F231-F449 VanDerWaalsContact CG-CG 3.45Å; F231-F449 AromaticContact CZ-CD1 3.7Å; F231-F449 HydrophobicContact CZ-CD1 3.7Å; F231-F449 AromaticContact CZ-CE1 3.63Å; F231-F449 HydrophobicContact CZ-CE1 3.63Å; F231-F449 HydrophobicContact CZ-CG 4.36Å; F231-F449 HydrophobicContact CZ-CZ 4.25Å; Y239-F449 HydrophobicContact CD2-CD2 4.31Å; Y239-F449 AromaticContact CD2-CE2 3.53Å; Y239-F449 HydrophobicContact CD2-CE2 3.53Å; Y239-F449 HydrophobicContact CD2-CZ 4.16Å; Y239-F449 HydrophobicContact CE2-CD2 4.48Å; Y239-F449 AromaticContact CE2-CE2 3.71Å; Y239-F449 HydrophobicContact CE2-CE2 3.71Å; I242-F449 HydrophobicContact CD1-CE1 4.08Å; I242-F449 HydrophobicContact CD1-CZ 4.15Å; V250-F449 HydrophobicContact CG1-CD2 4.39Å; V250-F449 HydrophobicContact CG1-CE2 3.97Å; V250-F449 HydrophobicContact CG2-CE2 4Å; V250-F449 HydrophobicContact CG2-CZ 4.31Å; V424-F449 HydrophobicContact CB-CE1 4.23Å; V424-F449 HydrophobicContact CG1-CD1 4.44Å; V424-F449 HydrophobicContact CG1-CE1 4.01Å; F425-F449 CarbonylContact C-O 3.31Å; F425-F449 VanDerWaalsContact CA-O 3.28Å; F425-F449 WeakPolarHBondContact CA-O 3.33Å; S426-F449 PolarHBondContact N-O 3.07Å
450V98.8Very high96.5Very high0 Ų032 Ų320%015%0.153CC..EExtended strand (participates in β ladder)trans-146132.2168.5-173.90000108.4L251 Y254 I423 V424 F425 L482L251-V450 HydrophobicContact CB-CB 4.27Å; L251-V450 HydrophobicContact CD1-CB 4.26Å; L251-V450 HydrophobicContact CD1-CG1 3.75Å; L251-V450 HydrophobicContact CG-CB 4.46Å; L251-V450 HydrophobicContact CG-CG1 4.28Å; L251-V450 PolarHBondContact N-O 3.12Å; Y254-V450 HydrophobicContact CD1-CG2 3.53Å; Y254-V450 HydrophobicContact CD2-CB 4.08Å; Y254-V450 HydrophobicContact CD2-CG1 4.29Å; Y254-V450 HydrophobicContact CD2-CG2 3.73Å; Y254-V450 HydrophobicContact CE1-CG2 3.65Å; Y254-V450 HydrophobicContact CE2-CB 4.42Å; Y254-V450 HydrophobicContact CE2-CG1 4.3Å; Y254-V450 HydrophobicContact CE2-CG2 3.84Å; Y254-V450 HydrophobicContact CG-CB 4.13Å; Y254-V450 HydrophobicContact CG-CG2 3.53Å; I423-V450 HydrophobicContact CG2-CG1 4.23Å; V424-V450 CarbonylContact O-C 3.58Å; V424-V450 WeakPolarHBondContact O-CA 3.48Å; F425-V450 HydrophobicContact CB-CB 4.41Å; F425-V450 HydrophobicContact CB-CG1 4.09Å; F425-V450 HydrophobicContact CB-CG2 4.1Å; V450-L482 HydrophobicContact CG1-CD1 4.25Å; V450-L482 HydrophobicContact CG1-CD2 4.36Å
451S98.9Very high96.7Very high0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans-136.9150.917263.60000111.6T249 I423 V424T249-S451 CarbonylContact O-C 3.56Å; T249-S451 WeakPolarHBondContact O-CA 3.44Å; I423-S451 WeakPolarHBondContact CA-O 3.37Å; V424-S451 PolarHBondContact N-O 2.83Å; V424-S451 VanDerWaalsContact N-O 3.09Å; V424-S451 PolarHBondContact O-N 3.46Å
452I98.9Very high96.8Very high2 Ų237 Ų371%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-116.1127.4173.2-179.9166.1000110.3G248 T249 V421 I423 L454 V469 T485 L507G248-I452 WeakPolarHBondContact CA-O 3.34Å; T249-I452 PolarHBondContact N-O 2.82Å; T249-I452 PolarHBondContact O-N 2.95Å; V421-I452 HydrophobicContact CG1-CD1 4.06Å; V421-I452 HydrophobicContact CG1-CG1 4.21Å; I423-I452 HydrophobicContact CD1-CB 3.6Å; I423-I452 HydrophobicContact CD1-CD1 3.78Å; I423-I452 HydrophobicContact CD1-CG1 3.53Å; I452-L454 HydrophobicContact CD1-CD2 3.79Å; I452-L454 HydrophobicContact CG1-CD2 3.85Å; I452-L454 HydrophobicContact CG1-CG 4.35Å; I452-V469 HydrophobicContact CG2-CG1 3.48Å; I452-V469 VanDerWaalsContact CG2-CG1 3.48Å; I452-T485 HydrophobicContact CD1-CG2 4.43Å; I452-L507 HydrophobicContact CD1-CD1 4.18Å; I452-L507 HydrophobicContact CG2-CD1 4.45Å
453I98.8Very high97Very high4 Ų440.9 Ų40.92%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-112.3128.3172.4-57.499.5000107.5I242 L246 L422 V424I242-I453 HydrophobicContact CG2-CD1 4.18Å; I242-I453 HydrophobicContact CG2-CG1 4.46Å; L246-I453 HydrophobicContact CB-CG1 4.22Å; L246-I453 HydrophobicContact CB-CG2 4.04Å; L422-I453 HydrophobicContact CB-CB 4.18Å; L422-I453 HydrophobicContact CB-CD1 4.42Å; L422-I453 HydrophobicContact CD2-CD1 3.97Å; L422-I453 HydrophobicContact CG-CD1 3.9Å; L422-I453 PolarHBondContact N-O 3.04Å; L422-I453 PolarHBondContact O-N 3.44Å; V424-I453 HydrophobicContact CG2-CD1 3.94Å
454L98.6Very high97.2Very high30 Ų3043.2 Ų43.216%0.15721%0.208CC..  trans-106.8157.1-178.5-60.3177.6000110.3V421 I452 F458 V466 V469 F508V421-L454 HydrophobicContact CG1-CD2 4.19Å; V421-L454 HydrophobicContact CG2-CD2 4.16Å; I452-L454 HydrophobicContact CD1-CD2 3.79Å; I452-L454 HydrophobicContact CG1-CD2 3.85Å; I452-L454 HydrophobicContact CG1-CG 4.35Å; L454-F458 HydrophobicContact CB-CB 4.17Å; L454-F458 HydrophobicContact CB-CG 4.4Å; L454-F458 HydrophobicContact CD1-CD1 3.98Å; L454-F458 HydrophobicContact CD1-CE1 4.43Å; L454-V466 HydrophobicContact CD1-CG2 3.85Å; L454-V469 HydrophobicContact CD1-CG2 4.44Å; L454-F508 HydrophobicContact CD1-CE1 4.05Å; L454-F508 HydrophobicContact CD2-CE1 3.78Å; L454-F508 HydrophobicContact CD2-CZ 3.84Å
455P98Very high97.4Very high2 Ų243.4 Ų43.41%0.01321%0.21CC..  trans-54.2142.1169.9-26.835.4000112.1L216 L417 N418 T420 W457 F458L216-P455 HydrophobicContact CD1-CG 4.46Å; L417-P455 WeakPolarHBondContact O-CA 3.47Å; N418-P455 WeakPolarHBondContact O-CB 3.47Å; T420-P455 WeakPolarHBondContact O-CD 3.32Å; P455-W457 VanDerWaalsContact C-N 3.28Å; P455-W457 HydrophobicContact CB-CD2 4.27Å; P455-W457 HydrophobicContact CB-CG 4.47Å; P455-W457 HydrophobicContact CB-CZ2 3.91Å; P455-W457 HydrophobicContact CG-CZ2 4.08Å; P455-W457 PolarHBondContact O-N 3.22Å; P455-W457 VanDerWaalsContact O-N 3.17Å; P455-F458 HydrophobicContact CB-CB 4.36Å; P455-F458 HydrophobicContact CG-CD2 4.37Å; P455-F458 WeakPolarHBondContact O-CB 3.36Å; P455-F458 PolarHBondContact O-N 3.12Å
456P96.5Very high97.5Very high89 Ų8943.9 Ų43.958%0.57821%0.214SC*.THydrogen-bonded Turntrans-56.5-37.2-175.7-29.236.1000114.6F458P456-F458 PolarHBondContact O-N 3.22Å
457W96.5Very high97.6Very high76 Ų7649.2 Ų49.229%0.28823%0.233SC..THydrogen-bonded Turntrans-72.6-11.1178.758.7-100.4000114F212 L216 N418 P455 E459 E460 T461 F462F212-W457 HydrophobicContact CD1-CH2 4.04Å; F212-W457 HydrophobicContact CE1-CH2 4.07Å; L216-W457 HydrophobicContact CD1-CH2 4.38Å; L216-W457 HydrophobicContact CD2-CH2 3.96Å; L216-W457 HydrophobicContact CD2-CZ2 3.61Å; N418-W457 PolarHBondContact O-NE1 2.87Å; P455-W457 VanDerWaalsContact C-N 3.28Å; P455-W457 HydrophobicContact CB-CD2 4.27Å; P455-W457 HydrophobicContact CB-CG 4.47Å; P455-W457 HydrophobicContact CB-CZ2 3.91Å; P455-W457 HydrophobicContact CG-CZ2 4.08Å; P455-W457 PolarHBondContact O-N 3.22Å; P455-W457 VanDerWaalsContact O-N 3.17Å; W457-E459 VanDerWaalsContact C-N 3.32Å; W457-E459 PolarHBondContact O-N 3.47Å; W457-E460 PolarHBondContact O-N 2.76Å; W457-T461 PolarHBondContact O-N 3.45Å; W457-T461 PolarHBondContact O-OG1 2.98Å; W457-T461 VanDerWaalsContact O-OG1 3.12Å; W457-F462 HydrophobicContact CZ3-CD2 4.27Å; W457-F462 AromaticContact CZ3-CE2 3.99Å; W457-F462 HydrophobicContact CZ3-CE2 3.99Å
458F96.7Very high97.7Very high0 Ų049.4 Ų49.40%024%0.235CC..Hα-helixtrans-67.1-34.8-171.5-154.6-81.6000111.6F212 L216 L454 P455 P456 F462 A465 V466 L489 F492 F508F212-F458 AromaticContact CE1-CE2 3.67Å; F212-F458 HydrophobicContact CE1-CE2 3.67Å; F212-F458 HydrophobicContact CE1-CZ 4.25Å; F212-F458 AromaticContact CZ-CE2 3.93Å; F212-F458 HydrophobicContact CZ-CE2 3.93Å; F212-F458 HydrophobicContact CZ-CZ 4.19Å; L216-F458 HydrophobicContact CD1-CD2 4.17Å; L216-F458 HydrophobicContact CD1-CE2 3.71Å; L454-F458 HydrophobicContact CB-CB 4.17Å; L454-F458 HydrophobicContact CB-CG 4.4Å; L454-F458 HydrophobicContact CD1-CD1 3.98Å; L454-F458 HydrophobicContact CD1-CE1 4.43Å; P455-F458 HydrophobicContact CB-CB 4.36Å; P455-F458 HydrophobicContact CG-CD2 4.37Å; P455-F458 WeakPolarHBondContact O-CB 3.36Å; P455-F458 PolarHBondContact O-N 3.12Å; P456-F458 PolarHBondContact O-N 3.22Å; F458-F462 HydrophobicContact CD1-CB 4.09Å; F458-F462 HydrophobicContact CD1-CD2 4.08Å; F458-F462 HydrophobicContact CD2-CD2 4.23Å; F458-F462 HydrophobicContact CE1-CB 3.92Å; F458-F462 AromaticContact CE1-CD2 3.88Å; F458-F462 HydrophobicContact CE1-CD2 3.88Å; F458-F462 HydrophobicContact CE1-CG 4.28Å; F458-F462 HydrophobicContact CE2-CD2 4.04Å; F458-F462 HydrophobicContact CE2-CE2 4.39Å; F458-F462 HydrophobicContact CG-CD2 4.26Å; F458-F462 AromaticContact CZ-CD2 3.86Å; F458-F462 HydrophobicContact CZ-CD2 3.86Å; F458-F462 HydrophobicContact CZ-CE2 4.47Å; F458-F462 WeakPolarHBondContact O-CA 3.36Å; F458-F462 PolarHBondContact O-N 3.31Å; F458-A465 HydrophobicContact CE1-CB 4.46Å; F458-V466 HydrophobicContact CD1-CG2 3.71Å; F458-V466 HydrophobicContact CE1-CG2 4.45Å; F458-L489 HydrophobicContact CE2-CD2 4.28Å; F458-L489 HydrophobicContact CZ-CD2 4.12Å; F458-F492 HydrophobicContact CE1-CE1 4.44Å; F458-F492 AromaticContact CE1-CZ 3.95Å; F458-F492 HydrophobicContact CE1-CZ 3.95Å; F458-F492 HydrophobicContact CZ-CE1 4.11Å; F458-F492 HydrophobicContact CZ-CE2 4.12Å; F458-F492 AromaticContact CZ-CZ 3.69Å; F458-F492 HydrophobicContact CZ-CZ 3.69Å; F458-F508 HydrophobicContact CD1-CE1 4.44Å; F458-F508 HydrophobicContact CE1-CD1 4.03Å; F458-F508 AromaticContact CE1-CE1 3.53Å; F458-F508 HydrophobicContact CE1-CE1 3.53Å; F458-F508 HydrophobicContact CE1-CZ 4.19Å; F458-F508 HydrophobicContact CZ-CD1 4.43Å; F458-F508 AromaticContact CZ-CE1 3.78Å; F458-F508 HydrophobicContact CZ-CE1 3.78Å; F458-F508 AromaticContact CZ-CZ 3.97Å; F458-F508 HydrophobicContact CZ-CZ 3.97Å
459E95.6Very high97.8Very high126 Ų12649.4 Ų49.459%0.58923%0.234SC*.Hα-helixtrans-64.6-44.7175.5-176.7170.1-168.700112.1W457 T461 R463 V466W457-E459 VanDerWaalsContact C-N 3.32Å; W457-E459 PolarHBondContact O-N 3.47Å; E459-T461 VanDerWaalsContact C-N 3.31Å; E459-T461 PolarHBondContact O-N 3.11Å; E459-R463 WeakPolarHBondContact O-CA 3.08Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.45Å; E459-R463 VanDerWaalsContact O-N 3.14Å; E459-V466 HydrophobicContact CB-CB 4.42Å; E459-V466 HydrophobicContact CB-CG1 4.18Å; E459-V466 HydrophobicContact CB-CG2 4.14Å; E459-V466 HydrophobicContact CG-CB 4.38Å; E459-V466 HydrophobicContact CG-CG1 4.09Å
460E96.4Very high97.8Very high149 Ų14953.2 Ų53.270%0.69626%0.258SS*.Hα-helixtrans-62.3-41.8179.7-62-178.1170.800111.6W457W457-E460 PolarHBondContact O-N 2.76Å
461T96.5Very high97.8Very high84 Ų8456.9 Ų56.952%0.51527%0.274SS..Hα-helixtrans-80.6-40.1-175.9-52.30000112.5W457 E459W457-T461 PolarHBondContact O-N 3.45Å; W457-T461 PolarHBondContact O-OG1 2.98Å; W457-T461 VanDerWaalsContact O-OG1 3.12Å; E459-T461 VanDerWaalsContact C-N 3.31Å; E459-T461 PolarHBondContact O-N 3.11Å
462F96.9Very high97.8Very high36 Ų3656.9 Ų56.916%0.15827%0.274CS..  trans-127.549.6-171.1-58.7-65.2000112.8F212 W457 F458 T464 A465 V466 F492F212-F462 HydrophobicContact CD1-CE2 4.01Å; F212-F462 HydrophobicContact CD1-CZ 4.34Å; F212-F462 HydrophobicContact CE1-CD2 4.3Å; F212-F462 AromaticContact CE1-CE2 3.43Å; F212-F462 HydrophobicContact CE1-CE2 3.43Å; F212-F462 VanDerWaalsContact CE1-CE2 3.43Å; F212-F462 AromaticContact CE1-CZ 3.98Å; F212-F462 HydrophobicContact CE1-CZ 3.98Å; F212-F462 HydrophobicContact CZ-CE2 4.22Å; W457-F462 HydrophobicContact CZ3-CD2 4.27Å; W457-F462 AromaticContact CZ3-CE2 3.99Å; W457-F462 HydrophobicContact CZ3-CE2 3.99Å; F458-F462 HydrophobicContact CD1-CB 4.09Å; F458-F462 HydrophobicContact CD1-CD2 4.08Å; F458-F462 HydrophobicContact CD2-CD2 4.23Å; F458-F462 HydrophobicContact CE1-CB 3.92Å; F458-F462 AromaticContact CE1-CD2 3.88Å; F458-F462 HydrophobicContact CE1-CD2 3.88Å; F458-F462 HydrophobicContact CE1-CG 4.28Å; F458-F462 HydrophobicContact CE2-CD2 4.04Å; F458-F462 HydrophobicContact CE2-CE2 4.39Å; F458-F462 HydrophobicContact CG-CD2 4.26Å; F458-F462 AromaticContact CZ-CD2 3.86Å; F458-F462 HydrophobicContact CZ-CD2 3.86Å; F458-F462 HydrophobicContact CZ-CE2 4.47Å; F458-F462 WeakPolarHBondContact O-CA 3.36Å; F458-F462 PolarHBondContact O-N 3.31Å; F462-T464 PolarHBondContact O-N 3.02Å; F462-A465 HydrophobicContact CB-CB 4Å; F462-A465 WeakPolarHBondContact O-CA 3.45Å; F462-A465 WeakPolarHBondContact O-CB 3.14Å; F462-A465 PolarHBondContact O-N 3.41Å; F462-V466 PolarHBondContact O-N 3.18Å; F462-V466 VanDerWaalsContact O-N 3.07Å; F462-F492 HydrophobicContact CB-CE1 4.04Å; F462-F492 HydrophobicContact CB-CZ 4.49Å; F462-F492 AromaticContact CD1-CD1 3.97Å; F462-F492 HydrophobicContact CD1-CD1 3.97Å; F462-F492 AromaticContact CD1-CE1 3.46Å; F462-F492 HydrophobicContact CD1-CE1 3.46Å; F462-F492 VanDerWaalsContact CD1-CE1 3.46Å; F462-F492 HydrophobicContact CD2-CD1 4.35Å; F462-F492 AromaticContact CD2-CE1 3.79Å; F462-F492 HydrophobicContact CD2-CE1 3.79Å; F462-F492 AromaticContact CE1-CD1 3.68Å; F462-F492 HydrophobicContact CE1-CD1 3.68Å; F462-F492 AromaticContact CE1-CE1 3.68Å; F462-F492 HydrophobicContact CE1-CE1 3.68Å; F462-F492 HydrophobicContact CE2-CD1 4.12Å; F462-F492 HydrophobicContact CE2-CE1 4.03Å; F462-F492 HydrophobicContact CG-CD1 4.28Å; F462-F492 AromaticContact CG-CE1 3.49Å; F462-F492 HydrophobicContact CG-CE1 3.49Å; F462-F492 VanDerWaalsContact CG-CE1 3.49Å; F462-F492 HydrophobicContact CG-CZ 4.33Å; F462-F492 AromaticContact CZ-CD1 3.76Å; F462-F492 HydrophobicContact CZ-CD1 3.76Å; F462-F492 AromaticContact CZ-CE1 3.96Å; F462-F492 HydrophobicContact CZ-CE1 3.96Å
463R97.6Very high97.7Very high175 Ų17556.9 Ų56.966%0.6627%0.274SS*.Hα-helixtrans-43.4-44.1-178.2-65.6-179.6-175.4176-0.7114.9E459 R467E459-R463 WeakPolarHBondContact O-CA 3.08Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.45Å; E459-R463 VanDerWaalsContact O-N 3.14Å; R463-R467 WeakPolarHBondContact O-CB 3.48Å; R463-R467 VanDerWaalsContact O-CG 3.24Å; R463-R467 WeakPolarHBondContact O-CG 3.46Å; R463-R467 PolarHBondContact O-N 3.03Å
464T98.1Very high97.7Very high66 Ų6660.4 Ų60.441%0.40529%0.293SS..Hα-helixtrans-66.5-41.3180-59.20000111.5F462 R467 N468 K496F462-T464 PolarHBondContact O-N 3.02Å; T464-R467 PolarHBondContact O-N 3.47Å; T464-N468 WeakPolarHBondContact O-CB 3.07Å; T464-N468 PolarHBondContact O-N 3.29Å; T464-N468 PolarHBondContact O-ND2 3.27Å; T464-N468 PolarHBondContact O-OD1 2.93Å; T464-K496 HydrophobicContact CG2-CD 4.36Å; T464-K496 HydrophobicContact CG2-CG 4.19Å
465A98.4Very high97.6Very high8 Ų861.5 Ų61.57%0.06630%0.295CS..Hα-helixtrans-66.5-42.2179.400000111.5F458 F462 N468 V469 F492 F508F458-A465 HydrophobicContact CE1-CB 4.46Å; F462-A465 HydrophobicContact CB-CB 4Å; F462-A465 WeakPolarHBondContact O-CA 3.45Å; F462-A465 WeakPolarHBondContact O-CB 3.14Å; F462-A465 PolarHBondContact O-N 3.41Å; A465-N468 WeakPolarHBondContact O-CB 3.3Å; A465-N468 PolarHBondContact O-N 2.78Å; A465-V469 WeakPolarHBondContact O-CG2 3.49Å; A465-V469 PolarHBondContact O-N 3.43Å; A465-F492 HydrophobicContact CB-CE1 4.43Å; A465-F492 HydrophobicContact CB-CZ 3.74Å; A465-F508 HydrophobicContact CB-CB 3.94Å; A465-F508 HydrophobicContact CB-CD1 3.84Å; A465-F508 HydrophobicContact CB-CG 4.27Å
466V98.3Very high97.6Very high16 Ų1661.6 Ų61.610%0.09730%0.295CS..Hα-helixtrans-66.2-43.8176.4177.80000111.6L454 F458 E459 F462 N468 V469 V470L454-V466 HydrophobicContact CD1-CG2 3.85Å; F458-V466 HydrophobicContact CD1-CG2 3.71Å; F458-V466 HydrophobicContact CE1-CG2 4.45Å; E459-V466 HydrophobicContact CB-CB 4.42Å; E459-V466 HydrophobicContact CB-CG1 4.18Å; E459-V466 HydrophobicContact CB-CG2 4.14Å; E459-V466 HydrophobicContact CG-CB 4.38Å; E459-V466 HydrophobicContact CG-CG1 4.09Å; F462-V466 PolarHBondContact O-N 3.18Å; F462-V466 VanDerWaalsContact O-N 3.07Å; V466-N468 PolarHBondContact O-N 3.44Å; V466-V469 WeakPolarHBondContact O-CB 3.48Å; V466-V469 PolarHBondContact O-N 2.92Å; V466-V469 VanDerWaalsContact O-N 3.11Å; V466-V470 WeakPolarHBondContact O-CG2 3.22Å; V466-V470 PolarHBondContact O-N 3.48Å
467R98.4Very high97.7Very high166 Ų16657.3 Ų57.363%0.62627%0.268SS*.Hα-helixtrans-57-38.6172.5-75.2178.466.8-170.71.6112.3R463 T464 K471R463-R467 WeakPolarHBondContact O-CB 3.48Å; R463-R467 VanDerWaalsContact O-CG 3.24Å; R463-R467 WeakPolarHBondContact O-CG 3.46Å; R463-R467 PolarHBondContact O-N 3.03Å; T464-R467 PolarHBondContact O-N 3.47Å; R467-K471 WeakPolarHBondContact O-CB 3.48Å; R467-K471 WeakPolarHBondContact O-CG 3.46Å; R467-K471 PolarHBondContact O-N 2.74Å
468N98.8Very high97.8Very high7 Ų753.7 Ų53.74%0.03725%0.254CS..Hα-helixtrans-66.7-43.5176-71.6-11.4000111.7T464 A465 V466 V470 K471 N472 K496 L507 F508 E510T464-N468 WeakPolarHBondContact O-CB 3.07Å; T464-N468 PolarHBondContact O-N 3.29Å; T464-N468 PolarHBondContact O-ND2 3.27Å; T464-N468 PolarHBondContact O-OD1 2.93Å; A465-N468 WeakPolarHBondContact O-CB 3.3Å; A465-N468 PolarHBondContact O-N 2.78Å; V466-N468 PolarHBondContact O-N 3.44Å; N468-V470 PolarHBondContact O-N 3Å; N468-K471 PolarHBondContact O-N 3.49Å; N468-N472 WeakPolarHBondContact O-CB 3.14Å; N468-N472 PolarHBondContact O-N 3.45Å; N468-N472 PolarHBondContact O-ND2 2.78Å; N468-N472 VanDerWaalsContact O-ND2 3.12Å; N468-K496 PolarHBondContact ND2-O 3.08Å; N468-L507 CarbonylContact C-O 3.31Å; N468-F508 WeakPolarHBondContact CB-O 3.23Å; N468-F508 PolarHBondContact ND2-O 3.49Å; N468-E510 PolarHBondContact ND2-N 3.17Å; N468-E510 VanDerWaalsContact ND2-N 3.18Å
469V98.8Very high97.9Very high1 Ų153.8 Ų53.81%0.00625%0.254CS..Hα-helixtrans-56.4-50.2174.8169.50000110.6T249 I452 L454 A465 V466 K471 N472 G473 L507 F508T249-V469 HydrophobicContact CG2-CG1 4.14Å; I452-V469 HydrophobicContact CG2-CG1 3.48Å; I452-V469 VanDerWaalsContact CG2-CG1 3.48Å; L454-V469 HydrophobicContact CD1-CG2 4.44Å; A465-V469 WeakPolarHBondContact O-CG2 3.49Å; A465-V469 PolarHBondContact O-N 3.43Å; V466-V469 WeakPolarHBondContact O-CB 3.48Å; V466-V469 PolarHBondContact O-N 2.92Å; V466-V469 VanDerWaalsContact O-N 3.11Å; V469-K471 PolarHBondContact O-N 2.72Å; V469-N472 CarbonylContact O-C 3.35Å; V469-N472 WeakPolarHBondContact O-CB 3.37Å; V469-N472 PolarHBondContact O-N 3.1Å; V469-N472 VanDerWaalsContact O-N 3.09Å; V469-G473 PolarHBondContact O-N 3.05Å; V469-L507 WeakPolarHBondContact CA-O 3.38Å; V469-L507 HydrophobicContact CG2-CB 4.17Å; V469-L507 VanDerWaalsContact CG2-O 3.28Å; V469-L507 WeakPolarHBondContact CG2-O 3.36Å; V469-L507 PolarHBondContact N-O 3.34Å; V469-F508 HydrophobicContact CG2-CD1 3.6Å; V469-F508 HydrophobicContact CG2-CE1 3.88Å; V469-F508 HydrophobicContact CG2-CG 4.43Å
470V98.6Very high98Very high81 Ų8148 Ų4849%0.49123%0.227SC..Hα-helixtrans-59.4-46178.7174.40000111.6V466 N468 N472 G473V466-V470 WeakPolarHBondContact O-CG2 3.22Å; V466-V470 PolarHBondContact O-N 3.48Å; N468-V470 PolarHBondContact O-N 3Å; V470-N472 VanDerWaalsContact C-N 3.32Å; V470-N472 PolarHBondContact O-N 3.12Å; V470-G473 PolarHBondContact O-N 3.32Å
471K98.3Very high98.2Very high77 Ų7740.9 Ų40.934%0.33519%0.194SC..Hα-helixtrans-59.4-44173.9-77.1179.4172.6-1660111.8R467 N468 V469 G473 N474 E510R467-K471 WeakPolarHBondContact O-CB 3.48Å; R467-K471 WeakPolarHBondContact O-CG 3.46Å; R467-K471 PolarHBondContact O-N 2.74Å; N468-K471 PolarHBondContact O-N 3.49Å; V469-K471 PolarHBondContact O-N 2.72Å; K471-G473 PolarHBondContact O-N 2.74Å; K471-N474 PolarHBondContact O-N 3.16Å; K471-N474 VanDerWaalsContact O-N 3.09Å; K471-E510 HydrophobicContact CD-CG 4.36Å; K471-E510 IonicContact NZ-OE1 3.62Å; K471-E510 PolarHBondContact NZ-OE1 2.95Å; K471-E510 IonicContact NZ-OE2 2.61Å; K471-E510 PolarHBondContact NZ-OE2 3.36Å
472N98.7Very high98.3Very high0 Ų037 Ų370%017%0.17CC..Hα-helixtrans-68.1-19-178.1-70.2-21.7000113.1N468 V469 V470 N474 R475 L507 S509 I511N468-N472 WeakPolarHBondContact O-CB 3.14Å; N468-N472 PolarHBondContact O-N 3.45Å; N468-N472 PolarHBondContact O-ND2 2.78Å; N468-N472 VanDerWaalsContact O-ND2 3.12Å; V469-N472 CarbonylContact O-C 3.35Å; V469-N472 WeakPolarHBondContact O-CB 3.37Å; V469-N472 PolarHBondContact O-N 3.1Å; V469-N472 VanDerWaalsContact O-N 3.09Å; V470-N472 VanDerWaalsContact C-N 3.32Å; V470-N472 PolarHBondContact O-N 3.12Å; N472-N474 PolarHBondContact O-N 3.22Å; N472-N474 VanDerWaalsContact O-N 3.11Å; N472-R475 PolarHBondContact O-N 2.98Å; N472-L507 HydrophobicContact CB-CD2 4.25Å; N472-L507 PolarHBondContact ND2-O 3.22Å; N472-S509 PolarHBondContact ND2-O 2.84Å; N472-I511 HydrophobicContact CB-CD1 4.17Å; N472-I511 VanDerWaalsContact OD1-CB 3.3Å; N472-I511 WeakPolarHBondContact OD1-CB 3.33Å; N472-I511 PolarHBondContact OD1-N 3.22Å
473G98.1Very high98.4Very high1 Ų136.7 Ų36.71%0.0117%0.169CC..THydrogen-bonded Turntrans-53.6-26.8167.300000113.2V250 E252 V469 V470 K471V250-G473 VanDerWaalsContact O-CA 3.27Å; V250-G473 WeakPolarHBondContact O-CA 3.44Å; E252-G473 PolarHBondContact N-O 3.26Å; V469-G473 PolarHBondContact O-N 3.05Å; V470-G473 PolarHBondContact O-N 3.32Å; K471-G473 PolarHBondContact O-N 2.74Å
474N97.2Very high98.4Very high79 Ų7929.3 Ų29.342%0.42215%0.145SC..THydrogen-bonded Turntrans-110.527.5176.4-67.5-78.5000112.9R94 E252 M253 K471 N472R94-N474 PolarHBondContact NH1-OD1 3.41Å; E252-N474 PolarHBondContact OE2-OD1 3.14Å; M253-N474 VanDerWaalsContact SD-C 3.59Å; K471-N474 PolarHBondContact O-N 3.16Å; K471-N474 VanDerWaalsContact O-N 3.09Å; N472-N474 PolarHBondContact O-N 3.22Å; N472-N474 VanDerWaalsContact O-N 3.11Å
475R97.5Very high98.4Very high52 Ų5226.3 Ų26.320%0.19613%0.127CC..SBendtrans-121.8155.6176.2-60.3-62.1-178.3-148.7-6.4111.1M253 N472 T477 I511 E513M253-R475 WeakPolarHBondContact CB-O 3.13Å; N472-R475 PolarHBondContact O-N 2.98Å; R475-T477 PolarHBondContact O-N 3.15Å; R475-I511 HydrophobicContact CB-CB 4.14Å; R475-I511 HydrophobicContact CB-CG2 4.14Å; R475-I511 HydrophobicContact CG-CB 4.33Å; R475-E513 VanDerWaalsContact CZ-CG 3.42Å; R475-E513 IonicContact CZ-OE1 3.6Å; R475-E513 IonicContact NH1-OE1 2.62Å; R475-E513 PolarHBondContact NH1-OE1 2.92Å; R475-E513 VanDerWaalsContact NH1-OE1 3.1Å; R475-E513 IonicContact NH2-OE1 2.7Å; R475-E513 PolarHBondContact NH2-OE1 2.81Å
476L97.7Very high98.4Very high4 Ų426.2 Ų26.22%0.02113%0.126CC..  trans-59.4111.2172-179.862.5000109.9C92 N255 R515 D516 A520 I522C92-L476 HydrophobicContact CB-CB 3.98Å; C92-L476 HydrophobicContact CB-CD2 4.09Å; N255-L476 HydrophobicContact CB-CD1 3.84Å; L476-R515 PolarHBondContact O-NH1 2.79Å; L476-D516 VanDerWaalsContact CD2-C 3.45Å; L476-A520 HydrophobicContact CD2-CB 3.91Å; L476-A520 HydrophobicContact CG-CB 4.34Å; L476-I522 HydrophobicContact CD1-CD1 3.79Å; L476-I522 HydrophobicContact CD2-CD1 4.09Å; L476-I522 HydrophobicContact CG-CD1 4.22Å
477T98.6Very high98.4Very high0 Ų029.1 Ų29.10%014%0.137CC..BIsolated β-bridgetrans-123158.9177.253.70000110.8Y254 N255 R475 D481 L507 I511Y254-T477 WeakPolarHBondContact CA-O 3.38Å; Y254-T477 WeakPolarHBondContact CA-OG1 3.32Å; Y254-T477 WeakPolarHBondContact CD2-OG1 3.41Å; N255-T477 PolarHBondContact N-O 2.85Å; R475-T477 PolarHBondContact O-N 3.15Å; T477-D481 VanDerWaalsContact CA-OD2 3.28Å; T477-D481 WeakPolarHBondContact CA-OD2 3.34Å; T477-L507 HydrophobicContact CG2-CD2 3.64Å; T477-I511 HydrophobicContact CG2-CD1 3.56Å
478T98.5Very high98.3Very high0 Ų021.8 Ų21.80%011%0.111CC..  trans-144166.9-17362.40000110.8Y254 V257 F480 D481 L482 A520 I522Y254-T478 VanDerWaalsContact CE2-C 3.43Å; V257-T478 HydrophobicContact CG1-CG2 4.03Å; T478-F480 PolarHBondContact O-N 2.92Å; T478-F480 VanDerWaalsContact O-N 3.1Å; T478-F480 PolarHBondContact OG1-N 2.97Å; T478-D481 PolarHBondContact N-OD2 3.44Å; T478-D481 WeakPolarHBondContact O-CB 3.21Å; T478-D481 PolarHBondContact O-N 2.84Å; T478-D481 PolarHBondContact OG1-OD2 3.25Å; T478-L482 PolarHBondContact O-N 3.41Å; T478-A520 HydrophobicContact CG2-CB 3.91Å; T478-I522 HydrophobicContact CG2-CD1 3.72Å; T478-I522 HydrophobicContact CG2-CG1 3.81Å
479P98.8Very high98.2Very high1 Ų121.6 Ų21.61%0.00611%0.11CC..Hα-helixtrans-45.8-34.9165.7-35.138.7000115.5Y254 N255 V257 P267 I268 D481 L482 H483Y254-P479 HydrophobicContact CE1-CG 4.27Å; Y254-P479 VanDerWaalsContact CZ-CD 3.47Å; Y254-P479 VanDerWaalsContact OH-CA 3.29Å; Y254-P479 WeakPolarHBondContact OH-CA 3.27Å; Y254-P479 VanDerWaalsContact OH-CD 3.27Å; Y254-P479 WeakPolarHBondContact OH-CD 3.34Å; Y254-P479 WeakPolarHBondContact OH-CG 3.45Å; N255-P479 WeakPolarHBondContact O-CD 3.21Å; V257-P479 HydrophobicContact CG2-CG 4.15Å; P267-P479 HydrophobicContact CB-CB 3.43Å; P267-P479 VanDerWaalsContact CB-CB 3.43Å; P267-P479 HydrophobicContact CG-CB 4.27Å; I268-P479 HydrophobicContact CG1-CB 3.88Å; P479-D481 VanDerWaalsContact C-N 3.3Å; P479-D481 PolarHBondContact O-N 3.25Å; P479-L482 PolarHBondContact O-N 2.58Å; P479-H483 PolarHBondContact O-N 2.89Å
480F98.6Very high98Very high4 Ų422.6 Ų22.62%0.01812%0.115CC..Hα-helixtrans-68.6-28.6178.5-58.4-68.5000113.2V257 P267 G271 T273 T478 H483 A484 R503 G504V257-F480 HydrophobicContact CB-CE2 4.03Å; V257-F480 HydrophobicContact CG1-CD2 4.07Å; V257-F480 HydrophobicContact CG1-CE2 3.69Å; V257-F480 HydrophobicContact CG2-CE2 3.98Å; V257-F480 HydrophobicContact CG2-CZ 4.26Å; P267-F480 HydrophobicContact CB-CD1 3.74Å; P267-F480 HydrophobicContact CB-CE1 3.48Å; P267-F480 VanDerWaalsContact CB-CE1 3.48Å; P267-F480 HydrophobicContact CB-CE2 4.46Å; P267-F480 HydrophobicContact CB-CG 4.32Å; P267-F480 HydrophobicContact CB-CZ 3.88Å; P267-F480 HydrophobicContact CG-CE1 3.82Å; P267-F480 HydrophobicContact CG-CZ 3.84Å; G271-F480 VanDerWaalsContact O-CD1 3.32Å; G271-F480 WeakPolarHBondContact O-CD1 3.27Å; G271-F480 WeakPolarHBondContact O-CE1 3.27Å; T273-F480 HydrophobicContact CG2-CE1 4.38Å; T273-F480 HydrophobicContact CG2-CZ 3.69Å; T478-F480 PolarHBondContact O-N 2.92Å; T478-F480 VanDerWaalsContact O-N 3.1Å; T478-F480 PolarHBondContact OG1-N 2.97Å; F480-H483 PolarHBondContact O-N 2.81Å; F480-A484 WeakPolarHBondContact O-CB 2.98Å; F480-A484 PolarHBondContact O-N 2.8Å; F480-R503 HydrophobicContact CB-CG 4.27Å; F480-R503 VanDerWaalsContact CD1-NE 3.33Å; F480-R503 HydrophobicContact CD2-CG 3.68Å; F480-R503 VanDerWaalsContact CE1-NH2 3.3Å; F480-R503 HydrophobicContact CE2-CG 4.13Å; F480-R503 HydrophobicContact CG-CG 3.91Å; F480-G504 WeakPolarHBondContact O-CA 3.43Å
481D98.8Very high97.7Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-73.1-36177.7-57.9-52.2000110.9T477 T478 P479 A484 T485 G504 I505 R515T477-D481 VanDerWaalsContact CA-OD2 3.28Å; T477-D481 WeakPolarHBondContact CA-OD2 3.34Å; T478-D481 PolarHBondContact N-OD2 3.44Å; T478-D481 WeakPolarHBondContact O-CB 3.21Å; T478-D481 PolarHBondContact O-N 2.84Å; T478-D481 PolarHBondContact OG1-OD2 3.25Å; P479-D481 VanDerWaalsContact C-N 3.3Å; P479-D481 PolarHBondContact O-N 3.25Å; D481-A484 PolarHBondContact O-N 3.21Å; D481-T485 WeakPolarHBondContact O-CB 3.36Å; D481-T485 PolarHBondContact O-N 2.86Å; D481-T485 PolarHBondContact O-OG1 3.19Å; D481-G504 WeakPolarHBondContact OD1-CA 3.35Å; D481-I505 WeakPolarHBondContact CA-O 3.5Å; D481-I505 VanDerWaalsContact CB-O 3.26Å; D481-I505 WeakPolarHBondContact CB-O 3.38Å; D481-I505 PolarHBondContact OD1-N 3.1Å; D481-R515 VanDerWaalsContact CG-NH2 3.3Å; D481-R515 IonicContact OD1-CZ 3.04Å; D481-R515 IonicContact OD1-NH1 2.89Å; D481-R515 PolarHBondContact OD1-NH1 2.04Å; D481-R515 IonicContact OD1-NH2 3.02Å; D481-R515 PolarHBondContact OD1-NH2 3.22Å; D481-R515 IonicContact OD2-CZ 3.08Å; D481-R515 IonicContact OD2-NH1 2.77Å; D481-R515 PolarHBondContact OD2-NH1 3.11Å; D481-R515 IonicContact OD2-NH2 2.9Å; D481-R515 PolarHBondContact OD2-NH2 3.02Å
482L98.8Very high97.7Very high2 Ų220.2 Ų20.21%0.0110%0.103CC..Hα-helixtrans-61.2-45.7171.4-59-178000110.6L251 Y254 I268 I423 V450 T478 P479 A484 T485 L486 L507L251-L482 HydrophobicContact CD1-CD2 4.15Å; Y254-L482 HydrophobicContact CE2-CD1 3.84Å; Y254-L482 HydrophobicContact CE2-CG 4.06Å; Y254-L482 WeakPolarHBondContact OH-CD1 3.38Å; I268-L482 HydrophobicContact CD1-CD1 3.92Å; I268-L482 HydrophobicContact CG1-CB 4.31Å; I268-L482 HydrophobicContact CG1-CD1 4.04Å; I268-L482 HydrophobicContact CG2-CB 4.44Å; I423-L482 HydrophobicContact CG2-CD1 4.48Å; V450-L482 HydrophobicContact CG1-CD1 4.25Å; V450-L482 HydrophobicContact CG1-CD2 4.36Å; T478-L482 PolarHBondContact O-N 3.41Å; P479-L482 PolarHBondContact O-N 2.58Å; L482-A484 PolarHBondContact O-N 2.67Å; L482-T485 WeakPolarHBondContact O-CB 3.18Å; L482-T485 PolarHBondContact O-N 2.82Å; L482-T485 VanDerWaalsContact O-N 3.17Å; L482-L486 WeakPolarHBondContact O-CG 3.19Å; L482-L486 PolarHBondContact O-N 3.36Å; L482-L507 HydrophobicContact CD2-CD1 3.94Å
483H98.8Very high97.5Very high30 Ų3024.5 Ų24.514%0.13913%0.131CC..Hα-helixtrans-59-47.4174.4-173.179.7000112.5P267 I268 G271 P479 F480 T485 L486 K487P267-H483 WeakPolarHBondContact O-CB 3.24Å; I268-H483 VanDerWaalsContact O-CB 3.3Å; I268-H483 WeakPolarHBondContact O-CB 3.12Å; I268-H483 PolarHBondContact O-ND1 3.12Å; G271-H483 VanDerWaalsContact CA-CD2 3.47Å; G271-H483 WeakPolarHBondContact CA-CD2 3.28Å; G271-H483 PolarHBondContact N-CE1 3.29Å; G271-H483 PolarHBondContact N-ND1 2.98Å; P479-H483 PolarHBondContact O-N 2.89Å; F480-H483 PolarHBondContact O-N 2.81Å; H483-T485 PolarHBondContact O-N 2.96Å; H483-L486 PolarHBondContact O-N 2.95Å; H483-K487 WeakPolarHBondContact O-CG 3.25Å; H483-K487 PolarHBondContact O-N 2.83Å
484A98.6Very high97.5Very high20 Ų2025.5 Ų25.517%0.16514%0.137CC..Hα-helixtrans-62.5-32.2177.400000112.5F480 D481 L482 S488F480-A484 WeakPolarHBondContact O-CB 2.98Å; F480-A484 PolarHBondContact O-N 2.8Å; D481-A484 PolarHBondContact O-N 3.21Å; L482-A484 PolarHBondContact O-N 2.67Å; A484-S488 WeakPolarHBondContact O-CB 3.46Å; A484-S488 PolarHBondContact O-N 3.17Å; A484-S488 PolarHBondContact O-OG 3.47Å
485T98.8Very high97.4Very high4 Ų426.3 Ų26.33%0.02515%0.147CC..Hα-helixtrans-65.7-48.2175.2-56.70000110.9I452 D481 L482 H483 K487 S488 L489 L507 F508I452-T485 HydrophobicContact CD1-CG2 4.43Å; D481-T485 WeakPolarHBondContact O-CB 3.36Å; D481-T485 PolarHBondContact O-N 2.86Å; D481-T485 PolarHBondContact O-OG1 3.19Å; L482-T485 WeakPolarHBondContact O-CB 3.18Å; L482-T485 PolarHBondContact O-N 2.82Å; L482-T485 VanDerWaalsContact O-N 3.17Å; H483-T485 PolarHBondContact O-N 2.96Å; T485-K487 PolarHBondContact O-N 2.81Å; T485-S488 PolarHBondContact O-N 3.42Å; T485-S488 PolarHBondContact O-OG 3.24Å; T485-L489 PolarHBondContact O-N 3.06Å; T485-L507 HydrophobicContact CG2-CB 4.23Å; T485-L507 WeakPolarHBondContact OG1-CG 3.46Å; T485-L507 PolarHBondContact OG1-N 3.21Å; T485-F508 HydrophobicContact CG2-CD2 3.8Å; T485-F508 HydrophobicContact CG2-CE2 3.4Å; T485-F508 VanDerWaalsContact CG2-CE2 3.4Å; T485-F508 HydrophobicContact CG2-CZ 4.18Å
486L98.1Very high97.5Very high6 Ų631 Ų313%0.03117%0.168CC..Hα-helixtrans-56.6-49.9173.6-62.8179.3000111.6F218 F220 I296 F381 L482 H483 S488 L489F218-L486 HydrophobicContact CB-CD2 4.3Å; F218-L486 HydrophobicContact CD1-CD2 3.1Å; F218-L486 HydrophobicContact CE1-CB 4.4Å; F218-L486 HydrophobicContact CE1-CD2 3.32Å; F218-L486 HydrophobicContact CE1-CG 4.47Å; F218-L486 HydrophobicContact CG-CD2 3.76Å; F218-L486 HydrophobicContact CZ-CD2 4.18Å; F220-L486 HydrophobicContact CE2-CD1 3.78Å; F220-L486 HydrophobicContact CE2-CD2 3.63Å; F220-L486 HydrophobicContact CE2-CG 4.19Å; F220-L486 HydrophobicContact CZ-CD1 3.68Å; F220-L486 HydrophobicContact CZ-CD2 3.69Å; F220-L486 HydrophobicContact CZ-CG 3.94Å; I296-L486 HydrophobicContact CG2-CD1 4.31Å; F381-L486 HydrophobicContact CE2-CD1 4.46Å; L482-L486 WeakPolarHBondContact O-CG 3.19Å; L482-L486 PolarHBondContact O-N 3.36Å; H483-L486 PolarHBondContact O-N 2.95Å; L486-S488 VanDerWaalsContact C-N 3.27Å; L486-S488 PolarHBondContact O-N 3.11Å; L486-L489 PolarHBondContact O-N 2.9Å; L486-L489 VanDerWaalsContact O-N 3.08Å
487K97.2Very high97.5Very high77 Ų7735 Ų3534%0.33519%0.193SC..Hα-helixtrans-59.1-38.3178.7-72-66.5-61.6-177.10112.5I296 E299 H483 T485 L489 L490I296-K487 HydrophobicContact CD1-CD 3.5Å; I296-K487 HydrophobicContact CD1-CG 4.29Å; E299-K487 IonicContact OE1-NZ 2.97Å; E299-K487 PolarHBondContact OE1-NZ 3.45Å; E299-K487 IonicContact OE2-NZ 3.93Å; E299-K487 PolarHBondContact OE2-NZ 2.69Å; H483-K487 WeakPolarHBondContact O-CG 3.25Å; H483-K487 PolarHBondContact O-N 2.83Å; T485-K487 PolarHBondContact O-N 2.81Å; K487-L489 VanDerWaalsContact C-N 3.26Å; K487-L489 PolarHBondContact O-N 3.47Å; K487-L490 PolarHBondContact O-N 2.74Å
488S97.3Very high97.4Very high12 Ų1235.5 Ų35.58%0.08420%0.198CC..Hα-helixtrans-68.3-23.6178.569.80000113.8A484 T485 L486 L490 N491 F492 S506A484-S488 WeakPolarHBondContact O-CB 3.46Å; A484-S488 PolarHBondContact O-N 3.17Å; A484-S488 PolarHBondContact O-OG 3.47Å; T485-S488 PolarHBondContact O-N 3.42Å; T485-S488 PolarHBondContact O-OG 3.24Å; L486-S488 VanDerWaalsContact C-N 3.27Å; L486-S488 PolarHBondContact O-N 3.11Å; S488-L490 VanDerWaalsContact C-N 3.25Å; S488-L490 PolarHBondContact O-N 2.86Å; S488-N491 CarbonylContact O-C 3.56Å; S488-N491 PolarHBondContact O-N 2.77Å; S488-F492 WeakPolarHBondContact O-CD2 3.48Å; S488-F492 PolarHBondContact O-N 3.25Å; S488-S506 WeakPolarHBondContact OG-CB 3.5Å; S488-S506 PolarHBondContact OG-OG 2.86Å
489L97Very high97.2Very high3 Ų339.2 Ų39.22%0.01622%0.218CC..Hα-helixtrans-77.5-12.3177.6-73.6165.9000113.1F212 L216 F218 V421 F458 T485 L486 K487 F492 F508F212-L489 HydrophobicContact CE2-CD2 3.86Å; F212-L489 WeakPolarHBondContact CE2-O 3.31Å; F212-L489 HydrophobicContact CZ-CD2 3.53Å; L216-L489 HydrophobicContact CD1-CD2 4.2Å; F218-L489 HydrophobicContact CD1-CD1 4.37Å; F218-L489 HydrophobicContact CE1-CB 3.95Å; F218-L489 HydrophobicContact CE1-CD1 3.45Å; F218-L489 VanDerWaalsContact CE1-CD1 3.45Å; F218-L489 HydrophobicContact CE1-CG 4.32Å; F218-L489 HydrophobicContact CZ-CB 3.78Å; F218-L489 HydrophobicContact CZ-CD1 4.17Å; V421-L489 HydrophobicContact CB-CD1 4.37Å; V421-L489 HydrophobicContact CG1-CD1 4.44Å; V421-L489 HydrophobicContact CG2-CD1 3.83Å; F458-L489 HydrophobicContact CE2-CD2 4.28Å; F458-L489 HydrophobicContact CZ-CD2 4.12Å; T485-L489 PolarHBondContact O-N 3.06Å; L486-L489 PolarHBondContact O-N 2.9Å; L486-L489 VanDerWaalsContact O-N 3.08Å; K487-L489 VanDerWaalsContact C-N 3.26Å; K487-L489 PolarHBondContact O-N 3.47Å; L489-F492 HydrophobicContact CD2-CD2 3.81Å; L489-F492 HydrophobicContact CD2-CE2 4Å; L489-F508 HydrophobicContact CD1-CE2 3.67Å; L489-F508 HydrophobicContact CD1-CZ 4.06Å; L489-F508 HydrophobicContact CD2-CE2 3.7Å; L489-F508 HydrophobicContact CD2-CZ 4Å; L489-F508 HydrophobicContact CG-CD2 4.49Å; L489-F508 HydrophobicContact CG-CE2 3.64Å; L489-F508 HydrophobicContact CG-CZ 4.29Å
490L93.9Very high97Very high21 Ų2139.6 Ų39.611%0.1122%0.22CC..THydrogen-bonded Turntrans-81.2-21.8170.4-52-177.3000112.2L300 L303 K487 S488L300-L490 HydrophobicContact CD2-CD1 4.32Å; L300-L490 HydrophobicContact CD2-CD2 3.76Å; L303-L490 HydrophobicContact CD1-CD1 3.94Å; L303-L490 HydrophobicContact CD1-CD2 3.8Å; L303-L490 HydrophobicContact CD1-CG 4.35Å; K487-L490 PolarHBondContact O-N 2.74Å; S488-L490 VanDerWaalsContact C-N 3.25Å; S488-L490 PolarHBondContact O-N 2.86Å
491N93.1Very high96.7Very high101 Ų10146.6 Ų46.654%0.5425%0.246SC..BIsolated β-bridgetrans-146.190.7176.6-176.433.7000110.6N210 S488N210-N491 VanDerWaalsContact CB-OD1 3.23Å; N210-N491 WeakPolarHBondContact CB-OD1 3.19Å; N210-N491 PolarHBondContact ND2-OD1 3.16Å; S488-N491 CarbonylContact O-C 3.56Å; S488-N491 PolarHBondContact O-N 2.77Å
492F96.7Very high96.5Very high7 Ų750.6 Ų50.63%0.03127%0.268CS..  trans-114.6145.2-167.5-159-90.5000112N210 G211 F212 F458 F462 A465 S488 L489 P494 F508N210-F492 PolarHBondContact O-N 3.38Å; G211-F492 VanDerWaalsContact CA-O 3.25Å; G211-F492 WeakPolarHBondContact CA-O 3.32Å; F212-F492 HydrophobicContact CD2-CB 4.17Å; F212-F492 HydrophobicContact CE1-CD1 4.37Å; F212-F492 HydrophobicContact CE2-CB 3.33Å; F212-F492 HydrophobicContact CE2-CD1 4.24Å; F212-F492 HydrophobicContact CE2-CD2 4.23Å; F212-F492 AromaticContact CE2-CG 3.68Å; F212-F492 HydrophobicContact CE2-CG 3.68Å; F212-F492 HydrophobicContact CZ-CB 3.71Å; F212-F492 AromaticContact CZ-CD1 3.71Å; F212-F492 HydrophobicContact CZ-CD1 3.71Å; F212-F492 AromaticContact CZ-CD2 3.98Å; F212-F492 HydrophobicContact CZ-CD2 3.98Å; F212-F492 HydrophobicContact CZ-CE1 4.36Å; F212-F492 AromaticContact CZ-CG 3.5Å; F212-F492 HydrophobicContact CZ-CG 3.5Å; F458-F492 HydrophobicContact CE1-CE1 4.44Å; F458-F492 AromaticContact CE1-CZ 3.95Å; F458-F492 HydrophobicContact CE1-CZ 3.95Å; F458-F492 HydrophobicContact CZ-CE1 4.11Å; F458-F492 HydrophobicContact CZ-CE2 4.12Å; F458-F492 AromaticContact CZ-CZ 3.69Å; F458-F492 HydrophobicContact CZ-CZ 3.69Å; F462-F492 HydrophobicContact CB-CE1 4.04Å; F462-F492 HydrophobicContact CB-CZ 4.49Å; F462-F492 AromaticContact CD1-CD1 3.97Å; F462-F492 HydrophobicContact CD1-CD1 3.97Å; F462-F492 AromaticContact CD1-CE1 3.46Å; F462-F492 HydrophobicContact CD1-CE1 3.46Å; F462-F492 VanDerWaalsContact CD1-CE1 3.46Å; F462-F492 HydrophobicContact CD2-CD1 4.35Å; F462-F492 AromaticContact CD2-CE1 3.79Å; F462-F492 HydrophobicContact CD2-CE1 3.79Å; F462-F492 AromaticContact CE1-CD1 3.68Å; F462-F492 HydrophobicContact CE1-CD1 3.68Å; F462-F492 AromaticContact CE1-CE1 3.68Å; F462-F492 HydrophobicContact CE1-CE1 3.68Å; F462-F492 HydrophobicContact CE2-CD1 4.12Å; F462-F492 HydrophobicContact CE2-CE1 4.03Å; F462-F492 HydrophobicContact CG-CD1 4.28Å; F462-F492 AromaticContact CG-CE1 3.49Å; F462-F492 HydrophobicContact CG-CE1 3.49Å; F462-F492 VanDerWaalsContact CG-CE1 3.49Å; F462-F492 HydrophobicContact CG-CZ 4.33Å; F462-F492 AromaticContact CZ-CD1 3.76Å; F462-F492 HydrophobicContact CZ-CD1 3.76Å; F462-F492 AromaticContact CZ-CE1 3.96Å; F462-F492 HydrophobicContact CZ-CE1 3.96Å; A465-F492 HydrophobicContact CB-CE1 4.43Å; A465-F492 HydrophobicContact CB-CZ 3.74Å; S488-F492 WeakPolarHBondContact O-CD2 3.48Å; S488-F492 PolarHBondContact O-N 3.25Å; L489-F492 HydrophobicContact CD2-CD2 3.81Å; L489-F492 HydrophobicContact CD2-CE2 4Å; F492-P494 VanDerWaalsContact CE2-CD 3.45Å; F492-P494 HydrophobicContact CE2-CG 4.34Å; F492-F508 HydrophobicContact CD2-CD2 4.49Å; F492-F508 HydrophobicContact CE2-CB 3.95Å; F492-F508 HydrophobicContact CE2-CD1 4.19Å; F492-F508 AromaticContact CE2-CD2 3.58Å; F492-F508 HydrophobicContact CE2-CD2 3.58Å; F492-F508 HydrophobicContact CE2-CE2 4.06Å; F492-F508 AromaticContact CE2-CG 3.64Å; F492-F508 HydrophobicContact CE2-CG 3.64Å; F492-F508 HydrophobicContact CZ-CB 4.24Å; F492-F508 HydrophobicContact CZ-CD1 4.22Å; F492-F508 HydrophobicContact CZ-CD2 4.4Å; F492-F508 HydrophobicContact CZ-CG 4.04Å
493P95.6Very high96.3Very high90 Ų9051.8 Ų51.858%0.58427%0.272SS*.SBendcis-84.3151.41.133.7-35000114.1
494P96.9Very high96.2Very high22 Ų2251.3 Ų51.314%0.14328%0.275CS..PPolyproline II helixtrans-71.1170.9168.331.5-34.2000111.5F492 F508F492-P494 VanDerWaalsContact CE2-CD 3.45Å; F492-P494 HydrophobicContact CE2-CG 4.34Å; P494-F508 HydrophobicContact CG-CB 3.7Å
495P97.2Very high96.2Very high96 Ų9650.6 Ų50.662%0.62327%0.269SS*.PPolyproline II helixtrans-52.4145.7172.6-26.935.6000112.8V497 S509P495-V497 VanDerWaalsContact C-N 3.27Å; P495-V497 PolarHBondContact O-N 3.12Å; P495-S509 WeakPolarHBondContact O-CB 3.43Å; P495-S509 PolarHBondContact O-OG 2.82Å
496K97.9Very high96.2Very high151 Ų15150.9 Ų50.966%0.65727%0.271SS*.SBendtrans-62.1-32.9-178.1-67.4-175.9179.6178.50113.5T464 N468 E510T464-K496 HydrophobicContact CG2-CD 4.36Å; T464-K496 HydrophobicContact CG2-CG 4.19Å; N468-K496 PolarHBondContact ND2-O 3.08Å; K496-E510 PolarHBondContact O-N 2.91Å
497V97.9Very high96.2Very high88 Ų8850.6 Ų50.653%0.53327%0.269SS..BIsolated β-bridgetrans-123.4134.6-179.1-177.40000108.7P495 P512P495-V497 VanDerWaalsContact C-N 3.27Å; P495-V497 PolarHBondContact O-N 3.12Å; V497-P512 HydrophobicContact CG1-CG 4.21Å
498G97.1Very high96.3Very high11 Ų1147 Ų4711%0.11325%0.254CS..  trans-70.8147.5177.900000112.9E510 P512G498-E510 PolarHBondContact N-O 3.01Å; G498-P512 WeakPolarHBondContact O-CG 3.31Å
499N95Very high96.3Very high77 Ų7746.8 Ų46.841%0.41225%0.252SS..  trans-92.6120.7174.4-173.3-18.6000109.9R501 N502N499-R501 PolarHBondContact O-N 2.93Å; N499-R501 VanDerWaalsContact O-N 3.08Å; N499-R501 VanDerWaalsContact OD1-CB 3.26Å; N499-R501 WeakPolarHBondContact OD1-CB 3.41Å; N499-R501 WeakPolarHBondContact OD1-CG 3.4Å; N499-R501 PolarHBondContact OD1-N 3.31Å; N499-N502 WeakPolarHBondContact O-CB 3.38Å; N499-N502 PolarHBondContact O-N 3.23Å
500L94.6Very high96.4Very high9 Ų948.8 Ų48.85%0.04726%0.261CS..THydrogen-bonded Turntrans-64.8-10.4177.7-65.4-178.3000114.2N502 I505 P512 S514 R515 N519L500-N502 PolarHBondContact O-N 3.05Å; L500-I505 HydrophobicContact CD2-CD1 4.3Å; L500-P512 HydrophobicContact CD1-CB 4.23Å; L500-P512 HydrophobicContact CD1-CG 4.5Å; L500-P512 HydrophobicContact CD2-CB 4.05Å; L500-P512 HydrophobicContact CD2-CG 3.88Å; L500-P512 HydrophobicContact CG-CB 4.2Å; L500-P512 HydrophobicContact CG-CG 3.97Å; L500-S514 WeakPolarHBondContact CD1-OG 3.15Å; L500-R515 HydrophobicContact CD2-CB 3.69Å; L500-R515 HydrophobicContact CD2-CG 3.89Å; L500-N519 HydrophobicContact CD2-CB 4.38Å
501R92.3Very high96.6Very high151 Ų15147.8 Ų47.857%0.5726%0.256SS*.THydrogen-bonded Turntrans-74.4-8.6166.4-60179.7-179.7166.81.7113K85 N499K85-R501 HydrophobicContact CB-CB 4.47Å; K85-R501 VanDerWaalsContact CD-C 3.49Å; K85-R501 WeakPolarHBondContact CD-O 3.28Å; K85-R501 WeakPolarHBondContact CE-O 3.4Å; K85-R501 PolarHBondContact NZ-O 3.08Å; N499-R501 PolarHBondContact O-N 2.93Å; N499-R501 VanDerWaalsContact O-N 3.08Å; N499-R501 VanDerWaalsContact OD1-CB 3.26Å; N499-R501 WeakPolarHBondContact OD1-CB 3.41Å; N499-R501 WeakPolarHBondContact OD1-CG 3.4Å; N499-R501 PolarHBondContact OD1-N 3.31Å
502N94Very high96.8Very high85 Ų8544.2 Ų44.246%0.45524%0.238SC..SBendtrans-100.1130.4173.6-63.6-20.4000108.9N499 L500 G504N499-N502 WeakPolarHBondContact O-CB 3.38Å; N499-N502 PolarHBondContact O-N 3.23Å; L500-N502 PolarHBondContact O-N 3.05Å; N502-G504 WeakPolarHBondContact CB-O 3.49Å
503R93.8Very high96.8Very high26 Ų2650.1 Ų50.110%0.09827%0.266CS..SBendtrans-67.9-44.5179178174.563.3-160.2-0.1110.2G271 E276 F480 R515 A520G271-R503 PolarHBondContact O-NH2 2.97Å; E276-R503 VanDerWaalsContact CD-NH1 3.29Å; E276-R503 IonicContact OE1-CZ 3.35Å; E276-R503 IonicContact OE1-NH1 3.06Å; E276-R503 PolarHBondContact OE1-NH1 3.44Å; E276-R503 IonicContact OE1-NH2 2.77Å; E276-R503 IonicContact OE2-CZ 3.34Å; E276-R503 IonicContact OE2-NH1 2.78Å; E276-R503 PolarHBondContact OE2-NH1 3.2Å; E276-R503 IonicContact OE2-NH2 2.98Å; E276-R503 PolarHBondContact OE2-NH2 2.9Å; F480-R503 HydrophobicContact CB-CG 4.27Å; F480-R503 VanDerWaalsContact CD1-NE 3.33Å; F480-R503 HydrophobicContact CD2-CG 3.68Å; F480-R503 VanDerWaalsContact CE1-NH2 3.3Å; F480-R503 HydrophobicContact CE2-CG 4.13Å; F480-R503 HydrophobicContact CG-CG 3.91Å; R503-R515 PolarHBondContact O-NH2 2.84Å; R503-A520 WeakPolarHBondContact CG-O 3.31Å
504G97.1Very high96.7Very high20 Ų2048.1 Ų48.121%0.20625%0.254CS..SBendtrans-98.9132.5169.400000110.7F480 D481 N502F480-G504 WeakPolarHBondContact O-CA 3.43Å; D481-G504 WeakPolarHBondContact OD1-CA 3.35Å; N502-G504 WeakPolarHBondContact CB-O 3.49Å
505I98.3Very high96.7Very high6 Ų647.2 Ų47.23%0.03125%0.248CC..  trans-120.6131.2173.9-64.1171.7000106.5D481 L500 L507 I511D481-I505 WeakPolarHBondContact CA-O 3.5Å; D481-I505 VanDerWaalsContact CB-O 3.26Å; D481-I505 WeakPolarHBondContact CB-O 3.38Å; D481-I505 PolarHBondContact OD1-N 3.1Å; L500-I505 HydrophobicContact CD2-CD1 4.3Å; I505-L507 PolarHBondContact O-N 2.95Å; I505-I511 HydrophobicContact CB-CG1 4.12Å; I505-I511 HydrophobicContact CG2-CG1 3.74Å
506S98.7Very high96.6Very high9 Ų943.7 Ų43.76%0.06322%0.224CC..  trans-58.9137.4175.21740000110.3S488 F508 S509S488-S506 WeakPolarHBondContact OG-CB 3.5Å; S488-S506 PolarHBondContact OG-OG 2.86Å; S506-F508 PolarHBondContact O-N 2.99Å; S506-F508 VanDerWaalsContact O-N 3.11Å; S506-F508 WeakPolarHBondContact OG-CD2 3.16Å; S506-F508 PolarHBondContact OG-N 3.05Å; S506-S509 WeakPolarHBondContact O-CB 3.31Å; S506-S509 PolarHBondContact O-N 2.88Å; S506-S509 VanDerWaalsContact O-O 3.13Å
507L98.8Very high96.4Very high0 Ų036.8 Ų36.80%020%0.195CC..THydrogen-bonded Turntrans-62.4-17.1175.8-65.1175.1000112.5L251 I452 N468 V469 N472 T477 L482 T485 I505 S509 I511L251-L507 HydrophobicContact CD1-CD1 3.92Å; L251-L507 HydrophobicContact CD1-CD2 4.25Å; L251-L507 HydrophobicContact CD2-CD1 4.3Å; L251-L507 HydrophobicContact CD2-CD2 4.17Å; I452-L507 HydrophobicContact CD1-CD1 4.18Å; I452-L507 HydrophobicContact CG2-CD1 4.45Å; N468-L507 CarbonylContact C-O 3.31Å; V469-L507 WeakPolarHBondContact CA-O 3.38Å; V469-L507 HydrophobicContact CG2-CB 4.17Å; V469-L507 VanDerWaalsContact CG2-O 3.28Å; V469-L507 WeakPolarHBondContact CG2-O 3.36Å; V469-L507 PolarHBondContact N-O 3.34Å; N472-L507 HydrophobicContact CB-CD2 4.25Å; N472-L507 PolarHBondContact ND2-O 3.22Å; T477-L507 HydrophobicContact CG2-CD2 3.64Å; L482-L507 HydrophobicContact CD2-CD1 3.94Å; T485-L507 HydrophobicContact CG2-CB 4.23Å; T485-L507 WeakPolarHBondContact OG1-CG 3.46Å; T485-L507 PolarHBondContact OG1-N 3.21Å; I505-L507 PolarHBondContact O-N 2.95Å; L507-S509 VanDerWaalsContact C-N 3.31Å; L507-I511 HydrophobicContact CD2-CD1 4.2Å
508F98.7Very high96.1Very high3 Ų336.1 Ų36.11%0.01320%0.198CC..THydrogen-bonded Turntrans-80.2-10.5173.5-59-63.7000113.5L454 F458 A465 N468 V469 T485 L489 F492 P494 S506L454-F508 HydrophobicContact CD1-CE1 4.05Å; L454-F508 HydrophobicContact CD2-CE1 3.78Å; L454-F508 HydrophobicContact CD2-CZ 3.84Å; F458-F508 HydrophobicContact CD1-CE1 4.44Å; F458-F508 HydrophobicContact CE1-CD1 4.03Å; F458-F508 AromaticContact CE1-CE1 3.53Å; F458-F508 HydrophobicContact CE1-CE1 3.53Å; F458-F508 HydrophobicContact CE1-CZ 4.19Å; F458-F508 HydrophobicContact CZ-CD1 4.43Å; F458-F508 AromaticContact CZ-CE1 3.78Å; F458-F508 HydrophobicContact CZ-CE1 3.78Å; F458-F508 AromaticContact CZ-CZ 3.97Å; F458-F508 HydrophobicContact CZ-CZ 3.97Å; A465-F508 HydrophobicContact CB-CB 3.94Å; A465-F508 HydrophobicContact CB-CD1 3.84Å; A465-F508 HydrophobicContact CB-CG 4.27Å; N468-F508 WeakPolarHBondContact CB-O 3.23Å; N468-F508 PolarHBondContact ND2-O 3.49Å; V469-F508 HydrophobicContact CG2-CD1 3.6Å; V469-F508 HydrophobicContact CG2-CE1 3.88Å; V469-F508 HydrophobicContact CG2-CG 4.43Å; T485-F508 HydrophobicContact CG2-CD2 3.8Å; T485-F508 HydrophobicContact CG2-CE2 3.4Å; T485-F508 VanDerWaalsContact CG2-CE2 3.4Å; T485-F508 HydrophobicContact CG2-CZ 4.18Å; L489-F508 HydrophobicContact CD1-CE2 3.67Å; L489-F508 HydrophobicContact CD1-CZ 4.06Å; L489-F508 HydrophobicContact CD2-CE2 3.7Å; L489-F508 HydrophobicContact CD2-CZ 4Å; L489-F508 HydrophobicContact CG-CD2 4.49Å; L489-F508 HydrophobicContact CG-CE2 3.64Å; L489-F508 HydrophobicContact CG-CZ 4.29Å; F492-F508 HydrophobicContact CD2-CD2 4.49Å; F492-F508 HydrophobicContact CE2-CB 3.95Å; F492-F508 HydrophobicContact CE2-CD1 4.19Å; F492-F508 AromaticContact CE2-CD2 3.58Å; F492-F508 HydrophobicContact CE2-CD2 3.58Å; F492-F508 HydrophobicContact CE2-CE2 4.06Å; F492-F508 AromaticContact CE2-CG 3.64Å; F492-F508 HydrophobicContact CE2-CG 3.64Å; F492-F508 HydrophobicContact CZ-CB 4.24Å; F492-F508 HydrophobicContact CZ-CD1 4.22Å; F492-F508 HydrophobicContact CZ-CD2 4.4Å; F492-F508 HydrophobicContact CZ-CG 4.04Å; P494-F508 HydrophobicContact CG-CB 3.7Å; S506-F508 PolarHBondContact O-N 2.99Å; S506-F508 VanDerWaalsContact O-N 3.11Å; S506-F508 WeakPolarHBondContact OG-CD2 3.16Å; S506-F508 PolarHBondContact OG-N 3.05Å
509S98.8Very high96Very high6 Ų635.9 Ų35.94%0.04219%0.194CC..SBendtrans-99137169.3-600000109.4N472 P495 S506 L507 I511N472-S509 PolarHBondContact ND2-O 2.84Å; P495-S509 WeakPolarHBondContact O-CB 3.43Å; P495-S509 PolarHBondContact O-OG 2.82Å; S506-S509 WeakPolarHBondContact O-CB 3.31Å; S506-S509 PolarHBondContact O-N 2.88Å; S506-S509 VanDerWaalsContact O-O 3.13Å; L507-S509 VanDerWaalsContact C-N 3.31Å; S509-I511 PolarHBondContact O-N 2.79Å; S509-I511 VanDerWaalsContact O-N 3.08Å
510E98.6Very high96Very high45 Ų4532.2 Ų32.221%0.2118%0.175CC..BIsolated β-bridgetrans-61117.4174.3-177.3161.7-174.500109.3N468 K471 K496 G498 P512N468-E510 PolarHBondContact ND2-N 3.17Å; N468-E510 VanDerWaalsContact ND2-N 3.18Å; K471-E510 HydrophobicContact CD-CG 4.36Å; K471-E510 IonicContact NZ-OE1 3.62Å; K471-E510 PolarHBondContact NZ-OE1 2.95Å; K471-E510 IonicContact NZ-OE2 2.61Å; K471-E510 PolarHBondContact NZ-OE2 3.36Å; K496-E510 PolarHBondContact O-N 2.91Å; G498-E510 PolarHBondContact N-O 3.01Å; E510-P512 WeakPolarHBondContact O-CD 3.31Å
511I98.5Very high95.9Very high0 Ų032.6 Ų32.60%018%0.181CC..PPolyproline II helixtrans-74.8120.6174.5-66.1170.5000106.9N472 R475 T477 I505 L507 S509 E513 R515N472-I511 HydrophobicContact CB-CD1 4.17Å; N472-I511 VanDerWaalsContact OD1-CB 3.3Å; N472-I511 WeakPolarHBondContact OD1-CB 3.33Å; N472-I511 PolarHBondContact OD1-N 3.22Å; R475-I511 HydrophobicContact CB-CB 4.14Å; R475-I511 HydrophobicContact CB-CG2 4.14Å; R475-I511 HydrophobicContact CG-CB 4.33Å; T477-I511 HydrophobicContact CG2-CD1 3.56Å; I505-I511 HydrophobicContact CB-CG1 4.12Å; I505-I511 HydrophobicContact CG2-CG1 3.74Å; L507-I511 HydrophobicContact CD2-CD1 4.2Å; S509-I511 PolarHBondContact O-N 2.79Å; S509-I511 VanDerWaalsContact O-N 3.08Å; I511-E513 PolarHBondContact O-N 3.5Å; I511-R515 HydrophobicContact CG2-CB 4.11Å; I511-R515 VanDerWaalsContact CG2-CD 3.44Å; I511-R515 HydrophobicContact CG2-CG 4.43Å
512P97.2Very high96.1Very high27 Ų2725.8 Ų25.818%0.17516%0.156CC..PPolyproline II helixtrans-57.4138-177.5-26.736.1000112V497 G498 L500 E510 S514 R515V497-P512 HydrophobicContact CG1-CG 4.21Å; G498-P512 WeakPolarHBondContact O-CG 3.31Å; L500-P512 HydrophobicContact CD1-CB 4.23Å; L500-P512 HydrophobicContact CD1-CG 4.5Å; L500-P512 HydrophobicContact CD2-CB 4.05Å; L500-P512 HydrophobicContact CD2-CG 3.88Å; L500-P512 HydrophobicContact CG-CB 4.2Å; L500-P512 HydrophobicContact CG-CG 3.97Å; E510-P512 WeakPolarHBondContact O-CD 3.31Å; P512-S514 PolarHBondContact O-N 2.84Å; P512-S514 VanDerWaalsContact O-N 3.14Å; P512-R515 VanDerWaalsContact O-CB 3.28Å; P512-R515 WeakPolarHBondContact O-CB 3.46Å; P512-R515 PolarHBondContact O-N 2.98Å
513E95.2Very high96Very high131 Ų13124 Ų2461%0.61215%0.148SC*.THydrogen-bonded Turntrans-58.8-29.7-179.8-42.3-160.1131.700112.5G91 R475 I511 R515G91-E513 WeakPolarHBondContact CA-O 3.49Å; R475-E513 VanDerWaalsContact CZ-CG 3.42Å; R475-E513 IonicContact CZ-OE1 3.6Å; R475-E513 IonicContact NH1-OE1 2.62Å; R475-E513 PolarHBondContact NH1-OE1 2.92Å; R475-E513 VanDerWaalsContact NH1-OE1 3.1Å; R475-E513 IonicContact NH2-OE1 2.7Å; R475-E513 PolarHBondContact NH2-OE1 2.81Å; I511-E513 PolarHBondContact O-N 3.5Å; E513-R515 PolarHBondContact O-N 3.46Å
514S95.1Very high95.9Very high47 Ų4729.2 Ų29.233%0.32918%0.178SC..THydrogen-bonded Turntrans-72.8-1.9178.163.90000113.6G89 T90 G91 L500 P512 D516G89-S514 CarbonylContact C-O 3.48Å; G89-S514 WeakPolarHBondContact CA-O 3.02Å; T90-S514 PolarHBondContact N-O 3.02Å; G91-S514 PolarHBondContact N-O 3.33Å; L500-S514 WeakPolarHBondContact CD1-OG 3.15Å; P512-S514 PolarHBondContact O-N 2.84Å; P512-S514 VanDerWaalsContact O-N 3.14Å; S514-D516 PolarHBondContact O-N 2.81Å
515R95.9Very high95.6Very high3 Ų334 Ų341%0.01119%0.194CC..  trans-62.2123.6177.7-172.2179.9-174.6-169.910110.3G91 L476 D481 L500 R503 I511 P512 E513 N519G91-R515 CarbonylContact C-O 3.6Å; L476-R515 PolarHBondContact O-NH1 2.79Å; D481-R515 VanDerWaalsContact CG-NH2 3.3Å; D481-R515 IonicContact OD1-CZ 3.04Å; D481-R515 IonicContact OD1-NH1 2.89Å; D481-R515 PolarHBondContact OD1-NH1 2.04Å; D481-R515 IonicContact OD1-NH2 3.02Å; D481-R515 PolarHBondContact OD1-NH2 3.22Å; D481-R515 IonicContact OD2-CZ 3.08Å; D481-R515 IonicContact OD2-NH1 2.77Å; D481-R515 PolarHBondContact OD2-NH1 3.11Å; D481-R515 IonicContact OD2-NH2 2.9Å; D481-R515 PolarHBondContact OD2-NH2 3.02Å; L500-R515 HydrophobicContact CD2-CB 3.69Å; L500-R515 HydrophobicContact CD2-CG 3.89Å; R503-R515 PolarHBondContact O-NH2 2.84Å; I511-R515 HydrophobicContact CG2-CB 4.11Å; I511-R515 VanDerWaalsContact CG2-CD 3.44Å; I511-R515 HydrophobicContact CG2-CG 4.43Å; P512-R515 VanDerWaalsContact O-CB 3.28Å; P512-R515 WeakPolarHBondContact O-CB 3.46Å; P512-R515 PolarHBondContact O-N 2.98Å; E513-R515 PolarHBondContact O-N 3.46Å; R515-N519 HydrophobicContact CG-CB 3.99Å
516D94.5Very high95.4Very high22 Ų2235 Ų3512%0.11820%0.198CC..  trans-111.4178.7172.963.932.6000112.2G89 T90 G91 L476 S514 A518 N519 A520G89-D516 WeakPolarHBondContact CA-OD2 3.46Å; T90-D516 PolarHBondContact N-OD2 3.13Å; T90-D516 PolarHBondContact OG1-OD2 3.41Å; T90-D516 VanDerWaalsContact OG1-OD2 3.07Å; G91-D516 WeakPolarHBondContact O-CB 3.05Å; L476-D516 VanDerWaalsContact CD2-C 3.45Å; S514-D516 PolarHBondContact O-N 2.81Å; D516-A518 PolarHBondContact O-N 3.07Å; D516-A518 WeakPolarHBondContact OD1-CA 3.2Å; D516-A518 WeakPolarHBondContact OD1-CB 3.36Å; D516-A518 PolarHBondContact OD1-N 3.35Å; D516-N519 PolarHBondContact N-OD1 2.96Å; D516-N519 VanDerWaalsContact N-OD1 3.14Å; D516-N519 PolarHBondContact O-N 3.22Å; D516-N519 PolarHBondContact OD1-N 3.4Å; D516-N519 PolarHBondContact OD1-OD1 2.81Å; D516-A520 WeakPolarHBondContact O-CB 3.42Å; D516-A520 PolarHBondContact O-N 3.48Å
517C94.5Very high95.2Very high7 Ų735.2 Ų35.25%0.04720%0.199CC..THydrogen-bonded Turntrans-60.6-29.6179.1-76.20000113.5A520 G521 I522 C527 C529C517-A520 PolarHBondContact O-N 3.42Å; C517-G521 PolarHBondContact O-N 3.34Å; C517-I522 HydrophobicContact CB-CB 4.01Å; C517-I522 HydrophobicContact CB-CD1 4.39Å; C517-I522 PolarHBondContact O-N 2.96Å; C517-C527 HydrophobicContact CB-CB 3.76Å; C517-C527 WeakPolarHBondContact CB-SG 3.43Å; C517-C527 WeakPolarHBondContact SG-CB 3.12Å; C517-C527 CovalentContact SG-SG 2.02Å; C517-C527 PolarHBondContact SG-SG 3.01Å; C517-C529 PolarHBondContact SG-SG 2.91Å
518A92.6Very high95Very high74 Ų7435.3 Ų35.361%0.61220%0.2SC*.THydrogen-bonded Turntrans-72.2-43.1177.800000110.9D516 A520 G521D516-A518 PolarHBondContact O-N 3.07Å; D516-A518 WeakPolarHBondContact OD1-CA 3.2Å; D516-A518 WeakPolarHBondContact OD1-CB 3.36Å; D516-A518 PolarHBondContact OD1-N 3.35Å; A518-A520 VanDerWaalsContact C-N 3.31Å; A518-A520 PolarHBondContact O-N 3.21Å; A518-G521 PolarHBondContact O-N 3.22Å
519N93.6Very high94.6Very high6 Ų636 Ų363%0.03221%0.205CC..THydrogen-bonded Turntrans-60.6-41.8172.5-56.3133.2000111.5F86 G89 L500 R515 D516 G521F86-N519 PolarHBondContact O-ND2 3.43Å; G89-N519 VanDerWaalsContact CA-OD1 3.3Å; G89-N519 WeakPolarHBondContact CA-OD1 3.34Å; L500-N519 HydrophobicContact CD2-CB 4.38Å; R515-N519 HydrophobicContact CG-CB 3.99Å; D516-N519 PolarHBondContact N-OD1 2.96Å; D516-N519 VanDerWaalsContact N-OD1 3.14Å; D516-N519 PolarHBondContact O-N 3.22Å; D516-N519 PolarHBondContact OD1-N 3.4Å; D516-N519 PolarHBondContact OD1-OD1 2.81Å; N519-G521 PolarHBondContact O-N 3.44Å
520A95.4Very high93.5Very high0 Ų042 Ų420%024%0.236CC..THydrogen-bonded Turntrans-74.7-7.8179.600000114.1L476 T478 R503 D516 C517 A518 I522L476-A520 HydrophobicContact CD2-CB 3.91Å; L476-A520 HydrophobicContact CG-CB 4.34Å; T478-A520 HydrophobicContact CG2-CB 3.91Å; R503-A520 WeakPolarHBondContact CG-O 3.31Å; D516-A520 WeakPolarHBondContact O-CB 3.42Å; D516-A520 PolarHBondContact O-N 3.48Å; C517-A520 PolarHBondContact O-N 3.42Å; A518-A520 VanDerWaalsContact C-N 3.31Å; A518-A520 PolarHBondContact O-N 3.21Å; A520-I522 VanDerWaalsContact C-N 3.31Å; A520-I522 HydrophobicContact CB-CD1 3.79Å; A520-I522 HydrophobicContact CB-CG1 3.98Å; A520-I522 PolarHBondContact O-N 3Å
521G93.3Very high91.6Very high17 Ų1743.3 Ų43.318%0.17525%0.25CS..THydrogen-bonded Turntrans70.424.6-17900000114.2C517 A518 N519C517-G521 PolarHBondContact O-N 3.34Å; A518-G521 PolarHBondContact O-N 3.22Å; N519-G521 PolarHBondContact O-N 3.44Å
522I94.8Very high91.3Very high8 Ų845.5 Ų45.54%0.04126%0.263CS..  trans-86.3122.3177.6-57.7162.1000108.5N255 V257 L476 T478 C517 A520 W526 C527N255-I522 HydrophobicContact CB-CD1 3.81Å; V257-I522 HydrophobicContact CG1-CG1 4.01Å; L476-I522 HydrophobicContact CD1-CD1 3.79Å; L476-I522 HydrophobicContact CD2-CD1 4.09Å; L476-I522 HydrophobicContact CG-CD1 4.22Å; T478-I522 HydrophobicContact CG2-CD1 3.72Å; T478-I522 HydrophobicContact CG2-CG1 3.81Å; C517-I522 HydrophobicContact CB-CB 4.01Å; C517-I522 HydrophobicContact CB-CD1 4.39Å; C517-I522 PolarHBondContact O-N 2.96Å; A520-I522 VanDerWaalsContact C-N 3.31Å; A520-I522 HydrophobicContact CB-CD1 3.79Å; A520-I522 HydrophobicContact CB-CG1 3.98Å; A520-I522 PolarHBondContact O-N 3Å; I522-W526 HydrophobicContact CG2-CB 3.85Å; I522-C527 HydrophobicContact CG2-CB 4.26Å
523P92.8Very high91Very high46 Ų4646.5 Ų46.530%0.29927%0.267SS..  trans-59.6142.1172.6-21.432.5000111.3V257 H525 W526 C527V257-P523 WeakPolarHBondContact O-CD 3.14Å; P523-H525 PolarHBondContact O-N 3.43Å; P523-W526 WeakPolarHBondContact O-CA 3.39Å; P523-W526 WeakPolarHBondContact O-CB 3.42Å; P523-W526 PolarHBondContact O-N 2.97Å; P523-C527 PolarHBondContact O-N 3.49Å
524L91.2Very high90.7Very high137 Ų13741.8 Ų41.872%0.71725%0.248SC*.G310 helixtrans-51.9-37.4-172.5-70.2173.4000114.5W526 C527L524-W526 PolarHBondContact O-N 2.47Å; L524-C527 WeakPolarHBondContact O-CB 3.35Å; L524-C527 PolarHBondContact O-N 2.98Å
525H91.3Very high90.5Very high119 Ų11941.5 Ų41.555%0.55124%0.243SC*.G310 helixtrans-72.7-12.5179.762.4-81.2000114.4R446 P523R446-H525 PolarHBondContact NE-O 3.25Å; R446-H525 VanDerWaalsContact NE-O 3.17Å; R446-H525 PolarHBondContact NH2-O 3.11Å; P523-H525 PolarHBondContact O-N 3.43Å
526W94.5Very high90.1Very high27 Ų2743.9 Ų43.910%0.10226%0.258CS..G310 helixtrans-100.5-8.7172-67.7114.8000113N255 V256 D259 E445 R446 I522 P523 L524 S528N255-W526 PolarHBondContact ND2-O 3.1Å; V256-W526 HydrophobicContact CG2-CB 4.5Å; V256-W526 HydrophobicContact CG2-CD2 4.27Å; V256-W526 HydrophobicContact CG2-CE3 3.59Å; V256-W526 HydrophobicContact CG2-CZ3 4.24Å; D259-W526 HydrophobicContact CB-CH2 4.09Å; D259-W526 HydrophobicContact CB-CZ2 3.64Å; E445-W526 WeakPolarHBondContact OE1-CH2 3.31Å; E445-W526 WeakPolarHBondContact OE1-CZ3 3.43Å; R446-W526 WeakPolarHBondContact CD-O 3.3Å; R446-W526 HydrophobicContact CG-CE3 4.01Å; R446-W526 HydrophobicContact CG-CZ3 4.33Å; I522-W526 HydrophobicContact CG2-CB 3.85Å; P523-W526 WeakPolarHBondContact O-CA 3.39Å; P523-W526 WeakPolarHBondContact O-CB 3.42Å; P523-W526 PolarHBondContact O-N 2.97Å; L524-W526 PolarHBondContact O-N 2.47Å; W526-S528 PolarHBondContact O-N 2.96Å
527C94.5Very high89.9Confident14 Ų1445.3 Ų45.310%0.09527%0.267CS..  trans-73.9118-175.8-176.80000111.6C517 I522 P523 L524 L530C517-C527 HydrophobicContact CB-CB 3.76Å; C517-C527 WeakPolarHBondContact CB-SG 3.43Å; C517-C527 WeakPolarHBondContact SG-CB 3.12Å; C517-C527 CovalentContact SG-SG 2.02Å; C517-C527 PolarHBondContact SG-SG 3.01Å; I522-C527 HydrophobicContact CG2-CB 4.26Å; P523-C527 PolarHBondContact O-N 3.49Å; L524-C527 WeakPolarHBondContact O-CB 3.35Å; L524-C527 PolarHBondContact O-N 2.98Å; C527-L530 HydrophobicContact CB-CD1 4.49Å
528S93.3Very high89.5Confident2 Ų248.1 Ų48.11%0.01428%0.283CS..G310 helixtrans-82.3-10.3175.4640000114N255 N447 W526 L530 S531N255-S528 WeakPolarHBondContact OD1-CB 3.47Å; N255-S528 PolarHBondContact OD1-N 3.07Å; N255-S528 PolarHBondContact OD1-OG 3.49Å; N447-S528 PolarHBondContact ND2-OG 2.86Å; N447-S528 VanDerWaalsContact ND2-OG 3.17Å; W526-S528 PolarHBondContact O-N 2.96Å; S528-L530 PolarHBondContact O-N 3.38Å; S528-L530 VanDerWaalsContact O-N 3.13Å; S528-S531 WeakPolarHBondContact O-CB 2.84Å; S528-S531 PolarHBondContact O-N 3.27Å; S528-S531 PolarHBondContact O-OG 3.21Å
529C91.3Very high89.3Confident17 Ų1746.1 Ų46.112%0.11526%0.258CS..G310 helixtrans-69.2-7.6-179-49.70000115C92 V93 C517C92-C529 HydrophobicContact CB-CB 3.85Å; C92-C529 WeakPolarHBondContact CB-SG 3.35Å; C92-C529 WeakPolarHBondContact SG-CB 3.35Å; C92-C529 CovalentContact SG-SG 2.03Å; C92-C529 PolarHBondContact SG-SG 3.49Å; V93-C529 WeakPolarHBondContact O-CA 3.03Å; C517-C529 PolarHBondContact SG-SG 2.91Å
530L76.3Confident88.9Confident132 Ų13249.4 Ų49.469%0.69128%0.276SS*.G310 helixtrans-104.613.2-175.2-60.9174.7000113.1C527 S528C527-L530 HydrophobicContact CB-CD1 4.49Å; S528-L530 PolarHBondContact O-N 3.38Å; S528-L530 VanDerWaalsContact O-N 3.13Å
531S58.4Low88.3Confident74 Ų7453.9 Ų53.952%0.51730%0.302SS..  trans-93.10-161.4580000117.2P95 K439 L443 S528P95-S531 WeakPolarHBondContact CB-OG 3.29Å; K439-S531 PolarHBondContact NZ-OXT 2.82Å; L443-S531 VanDerWaalsContact CD2-CB 3.44Å; S528-S531 WeakPolarHBondContact O-CB 2.84Å; S528-S531 PolarHBondContact O-N 3.27Å; S528-S531 PolarHBondContact O-OG 3.21Å

Retrieved 531 of 531 residues in 4216 ms (Link to these results)

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