A0A087Y9V8_POEFO Loading...

Cell growth regulator with ring finger domain 1

AlphaFold DB , UniProt , Accession A0A087Y9V8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M56.3Low59.5Low201 Ų201120.5 Ų120.599%0.9964%0.637SS**  0-57.60-64-62-92.900111.6T3 L4 L5M1-T3 PolarHBondContact O-N 2.77Å; M1-L4 PolarHBondContact O-N 2.73Å; M1-L5 PolarHBondContact O-N 2.71Å
2A56.3Low59.8Low74 Ų74125.1 Ų125.161%0.61264%0.641SS**Hα-helixtrans-64.6-36.8-178.800000115L5 L6A2-L5 PolarHBondContact O-N 3.19Å; A2-L6 PolarHBondContact O-N 2.93Å; A2-L6 VanDerWaalsContact O-N 3.07Å
3T56.9Low60.5Low111 Ų111119.2 Ų119.268%0.68162%0.618SS**Hα-helixtrans-69.3-37.2178.4340000113.4M1 L5 V7M1-T3 PolarHBondContact O-N 2.77Å; T3-L5 VanDerWaalsContact C-N 3.33Å; T3-V7 WeakPolarHBondContact O-CG2 3.42Å; T3-V7 PolarHBondContact O-N 3Å; T3-V7 VanDerWaalsContact O-N 3.16Å
4L63.1Low61.8Low132 Ų132115 Ų11569%0.69160%0.602SS**Hα-helixtrans-66.5-39.5175.8-153.287.6000110.9M1 V7 T8M1-L4 PolarHBondContact O-N 2.73Å; L4-V7 PolarHBondContact O-N 2.69Å; L4-T8 WeakPolarHBondContact O-CG2 3.31Å; L4-T8 PolarHBondContact O-N 3.3Å; L4-T8 PolarHBondContact O-OG1 3.2Å
5L58.7Low62.9Low107 Ų107115.3 Ų115.356%0.5660%0.603SS**Hα-helixtrans-69.4-37.4-179.2-143.8153.4000112M1 A2 T3 T8 L9M1-L5 PolarHBondContact O-N 2.71Å; A2-L5 PolarHBondContact O-N 3.19Å; T3-L5 VanDerWaalsContact C-N 3.33Å; L5-T8 WeakPolarHBondContact CA-OG1 3.24Å; L5-T8 PolarHBondContact O-OG1 2.95Å; L5-L9 HydrophobicContact CD2-CD1 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.24Å; L5-L9 WeakPolarHBondContact O-CB 3.42Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.35Å
6L58Low64Low118 Ų118116.3 Ų116.362%0.61860%0.602SS**Hα-helixtrans-66.4-40.6173.5-98.3149.9000112.8A2 L9 Y10A2-L6 PolarHBondContact O-N 2.93Å; A2-L6 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.07Å; L6-Y10 WeakPolarHBondContact O-CB 2.89Å; L6-Y10 PolarHBondContact O-N 3Å
7V61.8Low65Low84 Ų84118.1 Ų118.151%0.50960%0.6SS.*Hα-helixtrans-66.9-42.9176.2173.20000110.6T3 L4 L9 Y10 E11T3-V7 WeakPolarHBondContact O-CG2 3.42Å; T3-V7 PolarHBondContact O-N 3Å; T3-V7 VanDerWaalsContact O-N 3.16Å; L4-V7 PolarHBondContact O-N 2.69Å; V7-L9 PolarHBondContact O-N 3.08Å; V7-Y10 PolarHBondContact O-N 3.42Å; V7-E11 PolarHBondContact O-N 2.9Å
8T60.8Low66.2Low65 Ų65117.7 Ų117.740%0.39960%0.598SS.*Hα-helixtrans-65.8-35.8175.952.80000112.8L4 L5 Y12L4-T8 WeakPolarHBondContact O-CG2 3.31Å; L4-T8 PolarHBondContact O-N 3.3Å; L4-T8 PolarHBondContact O-OG1 3.2Å; L5-T8 WeakPolarHBondContact CA-OG1 3.24Å; L5-T8 PolarHBondContact O-OG1 2.95Å; T8-Y12 WeakPolarHBondContact O-CB 3.4Å; T8-Y12 WeakPolarHBondContact O-CD2 3.29Å; T8-Y12 PolarHBondContact O-N 3.38Å; T8-Y12 VanDerWaalsContact O-N 3.09Å
9L59.1Low67.2Low110 Ų110114.6 Ų114.658%0.57659%0.592SS**Hα-helixtrans-68.2-36.7174-82164.6000111.8L5 L6 V7 S13L5-L9 HydrophobicContact CD2-CD1 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.24Å; L5-L9 WeakPolarHBondContact O-CB 3.42Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.35Å; L6-L9 PolarHBondContact O-N 3.07Å; V7-L9 PolarHBondContact O-N 3.08Å; L9-S13 WeakPolarHBondContact O-CB 3.3Å; L9-S13 PolarHBondContact O-N 3.44Å
10Y60.3Low68.2Low191 Ų191112.3 Ų112.375%0.74958%0.583SS**Hα-helixtrans-72.7-32.2178.2-162.6-93.4000112.7L6 V7 P14L6-Y10 WeakPolarHBondContact O-CB 2.89Å; L6-Y10 PolarHBondContact O-N 3Å; V7-Y10 PolarHBondContact O-N 3.42Å; Y10-P14 WeakPolarHBondContact O-CD 3.34Å
11E63.6Low69.1Low133 Ų133111.7 Ų111.762%0.62159%0.585SS**Hα-helixtrans-75.9-34.6173.7-75.9-170.9160.600113.1V7 P14V7-E11 PolarHBondContact O-N 2.9Å; E11-P14 WeakPolarHBondContact O-CD 3.37Å
12Y63.3Low70.7Confident175 Ų175105.1 Ų105.169%0.68656%0.558SS**Hα-helixtrans-75.6-32.2176.9-96.8-91.2000113.5T8 L15 F16T8-Y12 WeakPolarHBondContact O-CB 3.4Å; T8-Y12 WeakPolarHBondContact O-CD2 3.29Å; T8-Y12 PolarHBondContact O-N 3.38Å; T8-Y12 VanDerWaalsContact O-N 3.09Å; Y12-L15 PolarHBondContact O-N 3.33Å; Y12-F16 VanDerWaalsContact O-CB 3.26Å; Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.39Å
13S68.3Low72.4Confident48 Ų48106.8 Ų106.834%0.33656%0.556SS.*Hα-helixtrans-53.2-54.7-179.6173.90000113.8L9 L15 F16 Y17L9-S13 WeakPolarHBondContact O-CB 3.3Å; L9-S13 PolarHBondContact O-N 3.44Å; S13-L15 PolarHBondContact O-N 3.25Å; S13-F16 PolarHBondContact O-N 3.47Å; S13-Y17 WeakPolarHBondContact O-CD2 3.48Å; S13-Y17 PolarHBondContact O-N 3.01Å; S13-Y17 VanDerWaalsContact OG-CE2 3.31Å; S13-Y17 WeakPolarHBondContact OG-CE2 3.45Å
14P78.2Confident74Confident61 Ų61105.1 Ų105.140%0.39655%0.548SS..Hα-helixtrans-66.7-39-178.223.6-31.8000112.5Y10 E11 F16 Y17 I18Y10-P14 WeakPolarHBondContact O-CD 3.34Å; E11-P14 WeakPolarHBondContact O-CD 3.37Å; P14-F16 VanDerWaalsContact C-N 3.33Å; P14-F16 PolarHBondContact O-N 3.1Å; P14-Y17 PolarHBondContact O-N 3.48Å; P14-I18 WeakPolarHBondContact O-CB 3.45Å; P14-I18 WeakPolarHBondContact O-CD1 3.46Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 3.24Å
15L78.7Confident75.5Confident119 Ų119105.6 Ų105.662%0.62355%0.545SS*.Hα-helixtrans-65-39.2176.6-68.8175.9000111.8Y12 S13 I18 A19Y12-L15 PolarHBondContact O-N 3.33Å; S13-L15 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 3.43Å; L15-A19 WeakPolarHBondContact O-CB 3.26Å; L15-A19 PolarHBondContact O-N 3.46Å
16F80.9Confident77.1Confident132 Ų132105.4 Ų105.458%0.57954%0.544SS*.Hα-helixtrans-62.9-47174.5178.4-98.8000111.6Y12 S13 P14 A19 V20Y12-F16 VanDerWaalsContact O-CB 3.26Å; Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.39Å; S13-F16 PolarHBondContact O-N 3.47Å; P14-F16 VanDerWaalsContact C-N 3.33Å; P14-F16 PolarHBondContact O-N 3.1Å; F16-A19 PolarHBondContact O-N 3.12Å; F16-V20 HydrophobicContact CD1-CG2 4.35Å; F16-V20 HydrophobicContact CE1-CG2 3.99Å; F16-V20 HydrophobicContact CE2-CG2 4.33Å; F16-V20 HydrophobicContact CZ-CG2 3.98Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.2Å; F16-V20 PolarHBondContact O-N 2.92Å
17Y80.8Confident78.7Confident147 Ų147103.3 Ų103.358%0.57654%0.536SS*.Hα-helixtrans-64.8-40.2177.3-73.8-64.1000112.7S13 P14 A19 V20 V21S13-Y17 WeakPolarHBondContact O-CD2 3.48Å; S13-Y17 PolarHBondContact O-N 3.01Å; S13-Y17 VanDerWaalsContact OG-CE2 3.31Å; S13-Y17 WeakPolarHBondContact OG-CE2 3.45Å; P14-Y17 PolarHBondContact O-N 3.48Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.28Å; Y17-V20 PolarHBondContact O-N 2.94Å; Y17-V21 WeakPolarHBondContact O-CB 3.13Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.21Å; Y17-V21 PolarHBondContact O-N 3.46Å
18I86.1Confident79.9Confident111 Ų111102.5 Ų102.557%0.56953%0.531SS*.Hα-helixtrans-61-43.5175.1-69.1162.9000110.5P14 L15 V21 S22P14-I18 WeakPolarHBondContact O-CB 3.45Å; P14-I18 WeakPolarHBondContact O-CD1 3.46Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 3.24Å; L15-I18 PolarHBondContact O-N 3.43Å; I18-V21 PolarHBondContact O-N 3.5Å; I18-S22 VanDerWaalsContact O-CB 3.28Å; I18-S22 WeakPolarHBondContact O-CB 3.32Å; I18-S22 PolarHBondContact O-N 3.03Å
19A86.3Confident81.1Confident58 Ų58100.8 Ų100.848%0.47952%0.524SS..Hα-helixtrans-63.6-42.7177.300000112.1L15 F16 Y17 S22 L23L15-A19 WeakPolarHBondContact O-CB 3.26Å; L15-A19 PolarHBondContact O-N 3.46Å; F16-A19 PolarHBondContact O-N 3.12Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.28Å; A19-S22 PolarHBondContact O-N 2.94Å; A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 PolarHBondContact O-N 3.43Å
20V85.9Confident82.3Confident69 Ų6998.6 Ų98.642%0.41852%0.521SS..Hα-helixtrans-64.6-43.7177.3171.50000111.5F16 Y17 L23 C24F16-V20 HydrophobicContact CD1-CG2 4.35Å; F16-V20 HydrophobicContact CE1-CG2 3.99Å; F16-V20 HydrophobicContact CE2-CG2 4.33Å; F16-V20 HydrophobicContact CZ-CG2 3.98Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.2Å; F16-V20 PolarHBondContact O-N 2.92Å; Y17-V20 PolarHBondContact O-N 2.94Å; V20-L23 PolarHBondContact O-N 3.14Å; V20-C24 WeakPolarHBondContact O-CB 3.44Å; V20-C24 PolarHBondContact O-N 3.46Å
21V88.4Confident83.4Confident100 Ų10094.1 Ų94.161%0.60651%0.509SS*.Hα-helixtrans-66.6-42.8178.3172.20000111Y17 I18 C24 F25Y17-V21 WeakPolarHBondContact O-CB 3.13Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.21Å; Y17-V21 PolarHBondContact O-N 3.46Å; I18-V21 PolarHBondContact O-N 3.5Å; V21-C24 PolarHBondContact O-N 2.85Å; V21-F25 WeakPolarHBondContact O-CB 3.29Å; V21-F25 PolarHBondContact O-N 3.04Å
22S89.4Confident84.1Confident62 Ų6291.2 Ų91.243%0.43450%0.501SS..Hα-helixtrans-61.7-44.7175.4178.60000111.6I18 A19 C24 F25 L26I18-S22 VanDerWaalsContact O-CB 3.28Å; I18-S22 WeakPolarHBondContact O-CB 3.32Å; I18-S22 PolarHBondContact O-N 3.03Å; A19-S22 PolarHBondContact O-N 2.94Å; S22-C24 PolarHBondContact O-N 3.17Å; S22-F25 PolarHBondContact O-N 2.85Å; S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.03Å
23L92.6Very high84.7Confident110 Ų11089 Ų8958%0.57650%0.5SS*.Hα-helixtrans-61.2-43.9175.5-17767.8000111.5A19 V20 F25 L26 V27A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 PolarHBondContact O-N 3.43Å; V20-L23 PolarHBondContact O-N 3.14Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.32Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-V27 VanDerWaalsContact O-CG2 3.3Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.25Å
24C90.8Very high84.9Confident76 Ų7687.9 Ų87.951%0.51450%0.496SS..Hα-helixtrans-63.3-39.4177.5-164.70000111.9V20 V21 S22 V27 T28V20-C24 WeakPolarHBondContact O-CB 3.44Å; V20-C24 PolarHBondContact O-N 3.46Å; V21-C24 PolarHBondContact O-N 2.85Å; S22-C24 PolarHBondContact O-N 3.17Å; C24-V27 PolarHBondContact O-N 3.41Å; C24-T28 WeakPolarHBondContact O-CB 3.16Å; C24-T28 WeakPolarHBondContact O-CG2 3.27Å; C24-T28 PolarHBondContact O-N 3.36Å; C24-T28 PolarHBondContact O-OG1 2.94Å
25F93.4Very high84.3Confident141 Ų14195.4 Ų95.462%0.61852%0.517SS*.Hα-helixtrans-64.4-43.5173.6-179.1-95.7000112V21 S22 L23 T28 A29V21-F25 WeakPolarHBondContact O-CB 3.29Å; V21-F25 PolarHBondContact O-N 3.04Å; S22-F25 PolarHBondContact O-N 2.85Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.32Å; F25-T28 WeakPolarHBondContact CA-OG1 3.38Å; F25-T28 PolarHBondContact O-N 3.46Å; F25-T28 PolarHBondContact O-OG1 3.36Å; F25-T28 VanDerWaalsContact O-OG1 3.07Å; F25-A29 WeakPolarHBondContact O-CB 3.49Å; F25-A29 PolarHBondContact O-N 3.3Å
26L92.9Very high83.3Confident104 Ų10496.9 Ų96.955%0.54552%0.519SS..Hα-helixtrans-64.8-40.9177.5-70.9172.3000111.9S22 L23 A30S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.03Å; L23-L26 PolarHBondContact O-N 3.38Å; L26-A30 VanDerWaalsContact O-CB 3.22Å; L26-A30 WeakPolarHBondContact O-CB 3.18Å; L26-A30 PolarHBondContact O-N 2.98Å
27V91.1Very high81.9Confident74 Ų7492.5 Ų92.545%0.44851%0.511SS..Hα-helixtrans-66.8-45.5176.8171.70000110.9L23 C24 A30 I31L23-V27 VanDerWaalsContact O-CG2 3.3Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.25Å; C24-V27 PolarHBondContact O-N 3.41Å; V27-A30 PolarHBondContact O-N 3.35Å; V27-I31 HydrophobicContact CG1-CD1 3.8Å; V27-I31 HydrophobicContact CG1-CG1 4.46Å; V27-I31 WeakPolarHBondContact O-CB 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.97Å
28T86.9Confident80.4Confident67 Ų6794.7 Ų94.741%0.41152%0.524SS..Hα-helixtrans-66.8-40.7177.6480000111.7C24 F25 A30 I31 V32C24-T28 WeakPolarHBondContact O-CB 3.16Å; C24-T28 WeakPolarHBondContact O-CG2 3.27Å; C24-T28 PolarHBondContact O-N 3.36Å; C24-T28 PolarHBondContact O-OG1 2.94Å; F25-T28 WeakPolarHBondContact CA-OG1 3.38Å; F25-T28 PolarHBondContact O-N 3.46Å; F25-T28 PolarHBondContact O-OG1 3.36Å; F25-T28 VanDerWaalsContact O-OG1 3.07Å; T28-A30 PolarHBondContact O-N 3.43Å; T28-I31 PolarHBondContact O-N 3.18Å; T28-V32 WeakPolarHBondContact O-CB 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.05Å
29A86.3Confident78.5Confident29 Ų2996.8 Ų96.824%0.2454%0.536CS..Hα-helixtrans-61.2-42.5172.500000111.7F25 V32 L33F25-A29 WeakPolarHBondContact O-CB 3.49Å; F25-A29 PolarHBondContact O-N 3.3Å; A29-V32 PolarHBondContact O-N 3.18Å; A29-L33 WeakPolarHBondContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.3Å; A29-L33 PolarHBondContact O-N 3.33Å
30A83.6Confident76.5Confident63 Ų6397.7 Ų97.752%0.52154%0.536SS..Hα-helixtrans-66.5-37.6176.100000112.6L26 V27 T28 G34L26-A30 VanDerWaalsContact O-CB 3.22Å; L26-A30 WeakPolarHBondContact O-CB 3.18Å; L26-A30 PolarHBondContact O-N 2.98Å; V27-A30 PolarHBondContact O-N 3.35Å; T28-A30 PolarHBondContact O-N 3.43Å; A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 2.93Å
31I83.4Confident74.5Confident98 Ų9898.6 Ų98.650%0.50354%0.543SS..Hα-helixtrans-66.8-45.8174.6-70.3166.6000110.2V27 T28 G34 W35V27-I31 HydrophobicContact CG1-CD1 3.8Å; V27-I31 HydrophobicContact CG1-CG1 4.46Å; V27-I31 WeakPolarHBondContact O-CB 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.97Å; T28-I31 PolarHBondContact O-N 3.18Å; I31-G34 PolarHBondContact O-N 3.13Å; I31-W35 WeakPolarHBondContact O-CB 3.47Å; I31-W35 PolarHBondContact O-N 3.03Å
32V78.3Confident72.2Confident72 Ų72100.5 Ų100.544%0.43656%0.555SS.*Hα-helixtrans-63.9-49.3178.2169.80000110.1T28 A29 G34 W35 F36T28-V32 WeakPolarHBondContact O-CB 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.05Å; A29-V32 PolarHBondContact O-N 3.18Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.4Å; V32-W35 PolarHBondContact O-N 2.96Å; V32-F36 HydrophobicContact CG1-CD2 3.64Å; V32-F36 HydrophobicContact CG1-CE2 3.87Å; V32-F36 WeakPolarHBondContact O-CB 3.39Å; V32-F36 WeakPolarHBondContact O-CD2 3.32Å; V32-F36 PolarHBondContact O-N 3.38Å
33L76.9Confident69.9Low127 Ų127104.6 Ų104.667%0.66557%0.565SS**Hα-helixtrans-65.7-28.4175.8-68.7171.1000112.6A29 G37A29-L33 WeakPolarHBondContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.3Å; A29-L33 PolarHBondContact O-N 3.33Å; L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 3.28Å
34G72.4Confident67.4Low26 Ų26107 Ų10727%0.26858%0.578SS.*Hα-helixtrans-73.8-42.5172.400000112.2A30 I31 V32 F38A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 2.93Å; I31-G34 PolarHBondContact O-N 3.13Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.4Å; G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 3.27Å
35W65.2Low64.9Low219 Ų219111.7 Ų111.783%0.8360%0.597SS**Hα-helixtrans-69.6-34.6177.5-115.8-2.5000112.7I31 V32I31-W35 WeakPolarHBondContact O-CB 3.47Å; I31-W35 PolarHBondContact O-N 3.03Å; V32-W35 PolarHBondContact O-N 2.96Å
36F57.4Low62Low149 Ų149110.4 Ų110.465%0.65461%0.605SS**Hα-helixtrans-88.3-23.9174.6-73.9-72.2000113.2V32 V40V32-F36 HydrophobicContact CG1-CD2 3.64Å; V32-F36 HydrophobicContact CG1-CE2 3.87Å; V32-F36 WeakPolarHBondContact O-CB 3.39Å; V32-F36 WeakPolarHBondContact O-CD2 3.32Å; V32-F36 PolarHBondContact O-N 3.38Å; F36-V40 VanDerWaalsContact O-CG2 3.32Å; F36-V40 WeakPolarHBondContact O-CG2 3.36Å
37G51.7Low59.6Low41 Ų41114.3 Ų114.342%0.42362%0.62SS.*Hα-helixtrans-95.2-9.7-171.600000115.6L33L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 3.28Å
38F48.9Very low57Low192 Ų192118.5 Ų118.584%0.84264%0.635SS**SBendtrans-87.8-8.2171.3-88.1-80.1000114G34G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 3.27Å
39D45.9Very low54.7Low155 Ų155122.7 Ų122.783%0.82965%0.654SS**SBendtrans-10717.8169.6-85.6-35.3000113.1
40V44.6Very low52.1Low78 Ų78126.3 Ų126.347%0.47368%0.678SS.*SBendtrans-120.4117.4174.91790000109.2F36 V42 F43F36-V40 VanDerWaalsContact O-CG2 3.32Å; F36-V40 WeakPolarHBondContact O-CG2 3.36Å; V40-V42 PolarHBondContact O-N 2.93Å; V40-F43 HydrophobicContact CG1-CD2 3.85Å; V40-F43 HydrophobicContact CG1-CE2 4.15Å
41P43.4Very low50.1Low87 Ų87132.8 Ų132.857%0.56570%0.698SS**  trans-64.3122.5169.527-29.2000108.5F43P41-F43 WeakPolarHBondContact O-CD2 3.38Å; P41-F43 WeakPolarHBondContact O-CE2 3.42Å; P41-F43 PolarHBondContact O-N 3.32Å
42V40.5Very low47.9Very low141 Ų141132.4 Ų132.486%0.85570%0.704SS**  trans-10.793.3166.2-174.80000114.5V40V40-V42 PolarHBondContact O-N 2.93Å
43F42.4Very low46.4Very low148 Ų148133.8 Ų133.865%0.64971%0.712SS**  trans-102.597.4158-66.1-83.1000107.1V40 P41V40-F43 HydrophobicContact CG1-CD2 3.85Å; V40-F43 HydrophobicContact CG1-CE2 4.15Å; P41-F43 WeakPolarHBondContact O-CD2 3.38Å; P41-F43 WeakPolarHBondContact O-CE2 3.42Å; P41-F43 PolarHBondContact O-N 3.32Å
44L38.8Very low45.3Very low161 Ų161133.4 Ų133.484%0.84372%0.715SS**  trans176.367.3154.8-96.4175.6000109.4
45L39.1Very low44.9Very low174 Ų174136 Ų13691%0.91173%0.729SS**SBendtrans-176.670.2153.5-104.6149.2000110.5
46S32.6Very low45.2Very low114 Ų114126.4 Ų126.480%0.79770%0.695SS**  trans-177.573.3155.745.10000109.8E48S46-E48 VanDerWaalsContact C-N 3.3Å; S46-E48 PolarHBondContact O-N 3.21Å
47H42.5Very low46.3Very low186 Ų186123 Ų12386%0.86169%0.687SS**  trans-9079.5153.9178.9-70.7000106
48E35.3Very low47.9Very low162 Ų162126.1 Ų126.176%0.75769%0.691SS**SBendtrans-179.5110.9157.6-102.4168.1160.300108S46S46-E48 VanDerWaalsContact C-N 3.3Å; S46-E48 PolarHBondContact O-N 3.21Å
49D38.5Very low49.7Very low154 Ų154122.4 Ų122.482%0.82468%0.675SS**SBendtrans50.478.6152.8-57.7-24.9000119.5
50S33.4Very low51.6Low106 Ų106121.4 Ų121.474%0.74167%0.669SS**  -166.5120.8127.8-3.30000109.9S52S50-S52 PolarHBondContact O-N 3.28Å
51E39.5Very low53.4Low198 Ų198121.3 Ų121.393%0.92566%0.664SS**  trans-62.974157.5-71.2-179.4144.100109T53E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.31Å
52S38Very low55.3Low91 Ų91122.4 Ų122.464%0.63667%0.669SS**  trans-87.581.1159.966.40000106.5S50 V54S50-S52 PolarHBondContact O-N 3.28Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.95Å
53T48.1Very low57.4Low100 Ų100123.4 Ų123.461%0.61366%0.664SS**  trans-52.4101159.536.70000106.6E51 S55E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.31Å; T53-S55 PolarHBondContact O-N 2.86Å
54V52.5Low59.6Low120 Ų120121.2 Ų121.273%0.72766%0.656SS**  trans-6887.9170.1177.30000105.1S52 T56S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.95Å; V54-T56 PolarHBondContact O-N 3.42Å; V54-T56 VanDerWaalsContact O-N 3.14Å
55S64.3Low62.1Low80 Ų80117.3 Ų117.356%0.55964%0.639SS**PPolyproline II helixtrans-58.9118.5179.4-178.70000107.3T53T53-S55 PolarHBondContact O-N 2.86Å
56T71.6Confident64.6Low17 Ų17111.3 Ų111.310%0.10461%0.608CS.*PPolyproline II helixtrans-49.8129.5172.1-46.20000108.3V54 E58 M286 V299V54-T56 PolarHBondContact O-N 3.42Å; V54-T56 VanDerWaalsContact O-N 3.14Å; T56-E58 PolarHBondContact O-N 3.39Å; T56-M286 VanDerWaalsContact CB-CE 3.45Å; T56-M286 HydrophobicContact CG2-CE 4.27Å; T56-V299 HydrophobicContact CG2-CG1 3.77Å
57P81.4Confident67.5Low77 Ų77106 Ų10650%0.557%0.57SS.*PPolyproline II helixtrans-57129.7-177.420-30.9000110.6L300 E301 S302P57-L300 VanDerWaalsContact CD-O 3.28Å; P57-L300 WeakPolarHBondContact CD-O 2.98Å; P57-L300 WeakPolarHBondContact CG-O 3.45Å; P57-E301 HydrophobicContact CG-CG 4.02Å; P57-E301 WeakPolarHBondContact O-CA 3.33Å; P57-S302 PolarHBondContact O-N 3.5Å; P57-S302 VanDerWaalsContact O-N 3.1Å
58E83.9Confident69.9Low108 Ų10897.2 Ų97.251%0.50553%0.53SS..BIsolated β-bridgetrans-89.4125.5179.5-178165.9-167.900110T56 R271 S302T56-E58 PolarHBondContact O-N 3.39Å; E58-R271 IonicContact OE1-CZ 3.16Å; E58-R271 IonicContact OE1-NH1 2.74Å; E58-R271 PolarHBondContact OE1-NH1 3.36Å; E58-R271 IonicContact OE1-NH2 3.38Å; E58-R271 IonicContact OE2-NH1 3.62Å; E58-R271 IonicContact OE2-NH2 3.92Å; E58-S302 CarbonylContact C-O 3.5Å; E58-S302 WeakPolarHBondContact CA-O 3.17Å
59K86.3Confident72.7Confident114 Ų11492.5 Ų92.550%0.49652%0.515SS..PPolyproline II helixtrans-95.1132.5171.5-169.5169-168.81600109M61 L274 E301 S302 F303K59-M61 PolarHBondContact O-N 2.73Å; K59-L274 HydrophobicContact CD-CD1 4.23Å; K59-E301 IonicContact NZ-OE2 3.16Å; K59-S302 PolarHBondContact N-O 2.84Å; K59-F303 HydrophobicContact CB-CB 4.46Å; K59-F303 WeakPolarHBondContact O-CB 3.32Å
60L85.8Confident75.3Confident134 Ų13485.7 Ų85.770%0.70248%0.478SS*.PPolyproline II helixtrans-73.6126.7175.5-66.6172.4000109.8
61M82.6Confident78.2Confident76 Ų7682.8 Ų82.837%0.37446%0.461SS..PPolyproline II helixtrans-77.9127.8170.2-169.9174.867.200108.8K59 F303 S304 L305 P307K59-M61 PolarHBondContact O-N 2.73Å; M61-F303 HydrophobicContact CB-CD2 3.94Å; M61-F303 HydrophobicContact CG-CD2 4.09Å; M61-F303 HydrophobicContact CG-CE2 4.25Å; M61-F303 HydrophobicContact SD-CD2 3.8Å; M61-F303 HydrophobicContact SD-CE2 3.63Å; M61-S304 WeakPolarHBondContact CE-O 3.44Å; M61-L305 WeakPolarHBondContact CE-O 3.21Å; M61-P307 HydrophobicContact CE-CG 3.8Å
62V84.4Confident80.8Confident110 Ų11075.8 Ų75.867%0.66743%0.429SS*.  trans-107.8134.5174.5-178.60000108.1E64V62-E64 HydrophobicContact CG1-CG 4.39Å
63Q85Confident83.2Confident161 Ų16172.3 Ų72.375%0.75241%0.407SS*.  trans-89.1127.2174-175175.21.200109.4
64E87.4Confident84.8Confident103 Ų10373.3 Ų73.348%0.48142%0.419SS..  trans-131.4134.9175.9-76.9-71.9175.600108.9V62 N66V62-E64 HydrophobicContact CG1-CG 4.39Å; E64-N66 PolarHBondContact O-N 3.11Å
65T90.7Very high86.2Confident78 Ų7869.1 Ų69.148%0.47940%0.4SS..  trans-84.5116.5179.1-58.30000109.5P67 L90 Y187T65-P67 WeakPolarHBondContact O-CD 3.45Å; T65-L90 HydrophobicContact CG2-CD1 3.88Å; T65-Y187 HydrophobicContact CG2-CD1 4.29Å; T65-Y187 HydrophobicContact CG2-CE1 3.89Å
66N92.4Very high87Confident49 Ų4970.2 Ų70.226%0.26241%0.405SS..  trans-90.9113.1173.4178.614.3000110.2E64 F68 I189E64-N66 PolarHBondContact O-N 3.11Å; N66-F68 VanDerWaalsContact CG-O 3.27Å; N66-F68 PolarHBondContact ND2-O 3.26Å; N66-F68 PolarHBondContact O-N 3.13Å; N66-F68 PolarHBondContact OD1-N 3.37Å; N66-F68 PolarHBondContact OD1-O 3.37Å; N66-I189 HydrophobicContact CB-CD1 3.79Å
67P93.1Very high87.9Confident1 Ų170.8 Ų70.81%0.00641%0.412CS..  trans-74.6-7.9179.631.2-34.3000113.3T65 C89 L90 L178 Y187T65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-C89 VanDerWaalsContact O-CA 3.32Å; P67-C89 WeakPolarHBondContact O-CA 3.19Å; P67-L90 HydrophobicContact CB-CB 4.48Å; P67-L90 PolarHBondContact O-N 3.37Å; P67-L178 HydrophobicContact CB-CD2 4.34Å; P67-L178 HydrophobicContact CG-CD2 4.41Å; P67-Y187 HydrophobicContact CB-CD1 3.99Å; P67-Y187 HydrophobicContact CB-CD2 4.35Å; P67-Y187 HydrophobicContact CB-CE1 3.97Å; P67-Y187 HydrophobicContact CB-CE2 4.38Å; P67-Y187 HydrophobicContact CB-CG 4.18Å; P67-Y187 HydrophobicContact CG-CD1 3.99Å; P67-Y187 HydrophobicContact CG-CD2 4.38Å; P67-Y187 HydrophobicContact CG-CE1 4.48Å; P67-Y187 HydrophobicContact CG-CG 3.93Å
68F94.4Very high88.4Confident3 Ų368.4 Ų68.41%0.01340%0.396CS..EExtended strand (participates in β ladder)trans-114.5128.1-171.8-48.2-67000112.4N66 C93 L176 L178 I189 N192N66-F68 VanDerWaalsContact CG-O 3.27Å; N66-F68 PolarHBondContact ND2-O 3.26Å; N66-F68 PolarHBondContact O-N 3.13Å; N66-F68 PolarHBondContact OD1-N 3.37Å; N66-F68 PolarHBondContact OD1-O 3.37Å; F68-C93 VanDerWaalsContact CD1-SG 3.57Å; F68-C93 HydrophobicContact CE1-CB 4.49Å; F68-C93 WeakPolarHBondContact CE1-SG 3.38Å; F68-L176 HydrophobicContact CB-CB 4.24Å; F68-L176 HydrophobicContact CB-CD1 4.04Å; F68-L176 HydrophobicContact CD1-CB 3.73Å; F68-L176 HydrophobicContact CE1-CB 4.28Å; F68-L176 HydrophobicContact CG-CB 4.08Å; F68-L178 HydrophobicContact CE1-CD2 4.04Å; F68-L178 HydrophobicContact CE1-CG 4.03Å; F68-L178 HydrophobicContact CZ-CD2 4.23Å; F68-L178 HydrophobicContact CZ-CG 3.8Å; F68-I189 HydrophobicContact CD2-CG2 3.95Å; F68-I189 HydrophobicContact CE2-CG2 3.93Å; F68-N192 HydrophobicContact CB-CB 3.64Å; F68-N192 HydrophobicContact CD2-CB 3.73Å; F68-N192 HydrophobicContact CG-CB 3.89Å
69S92.6Very high88.8Confident63 Ų6363.5 Ų63.544%0.44137%0.374SS..EExtended strand (participates in β ladder)trans-132.8143.2162.9-169.90000110.3P87 C88S69-P87 WeakPolarHBondContact O-CA 3.49Å; S69-C88 WeakPolarHBondContact CB-O 3.24Å; S69-C88 PolarHBondContact N-O 3Å; S69-C88 VanDerWaalsContact N-O 3.11Å; S69-C88 PolarHBondContact O-N 2.82Å
70L94.3Very high88.8Confident10 Ų1062.5 Ų62.55%0.05238%0.381CS..EExtended strand (participates in β ladder)trans-141.4123.5175.4-168.475.1000108.6L85 P87 L95 A174 L176 I194 I196L70-L85 HydrophobicContact CD1-CB 4.03Å; L70-L85 HydrophobicContact CD2-CD1 4.46Å; L70-L85 HydrophobicContact CD2-CD2 4.47Å; L70-P87 HydrophobicContact CD1-CB 3.82Å; L70-L95 HydrophobicContact CD1-CD1 4.32Å; L70-L95 HydrophobicContact CD1-CD2 4.3Å; L70-L95 HydrophobicContact CD2-CD1 4.41Å; L70-A174 HydrophobicContact CD2-CB 3.68Å; L70-L176 HydrophobicContact CB-CD1 4Å; L70-L176 HydrophobicContact CD1-CD1 4.4Å; L70-I194 HydrophobicContact CB-CD1 3.4Å; L70-I194 HydrophobicContact CD2-CD1 3.55Å; L70-I194 HydrophobicContact CG-CD1 4.09Å; L70-I196 HydrophobicContact CD2-CD1 4.39Å
71A93.6Very high89Confident46 Ų4660.7 Ų60.738%0.3837%0.372SS..EExtended strand (participates in β ladder)trans-110.5159.9170.500000110.5K86A71-K86 HydrophobicContact CB-CB 4.47Å; A71-K86 PolarHBondContact N-O 2.93Å; A71-K86 PolarHBondContact O-N 3.11Å
72L93.8Very high89.5Confident51 Ų5157.1 Ų57.127%0.26735%0.354SS..EExtended strand (participates in β ladder)trans-76.9135.5166-65.3172.9000108.6V83 L85 I196 A207L72-V83 HydrophobicContact CD2-CG1 4.02Å; L72-L85 HydrophobicContact CD2-CD2 3.85Å; L72-I196 HydrophobicContact CD2-CD1 4.16Å; L72-I196 HydrophobicContact CD2-CG2 3.85Å; L72-A207 HydrophobicContact CD1-CB 4.23Å
73G88.6Confident90Very high17 Ų1752 Ų5218%0.17532%0.323CS..  trans-69.6165.5174.300000112G75 L84G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.45Å; G73-L84 PolarHBondContact N-O 3.29Å
74S82.6Confident90.5Very high122 Ų12246.2 Ų46.285%0.85330%0.298SS*.SBendtrans-83.2-1.8-174.1-61.50000114.7
75G81.8Confident90.9Very high32 Ų3241.3 Ų41.333%0.3328%0.275SS..SBendtrans-82175.4-179.200000114.5G73G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.45Å
76P81.6Confident91Very high103 Ų10340.5 Ų40.567%0.66926%0.264SS*.  trans-61.2140.417627.3-33.7000110.3
77A90.1Very high91.1Very high29 Ų2938.1 Ų38.124%0.2425%0.252CS..  trans-124.8118.2-179.500000109.1G82 V83 P199 A207A77-G82 WeakPolarHBondContact CA-O 3.48Å; A77-V83 HydrophobicContact CB-CG2 3.97Å; A77-P199 WeakPolarHBondContact O-CD 3.37Å; A77-P199 WeakPolarHBondContact O-CG 3.2Å; A77-A207 HydrophobicContact CB-CB 3.52Å
78C91.9Very high91Very high26 Ų2641 Ų4118%0.17627%0.271CS..BIsolated β-bridgetrans-158.7167.3171.269.10000110.1S80 D81 G82 P199C78-S80 VanDerWaalsContact C-N 3.29Å; C78-S80 PolarHBondContact O-N 2.86Å; C78-S80 PolarHBondContact SG-OG 3.49Å; C78-D81 WeakPolarHBondContact SG-CB 3.42Å; C78-D81 PolarHBondContact SG-N 3.46Å; C78-D81 PolarHBondContact SG-OD2 2.82Å; C78-G82 PolarHBondContact N-O 3.22Å; C78-G82 CarbonylContact O-C 3.57Å; C78-G82 VanDerWaalsContact O-CA 3.28Å; C78-G82 WeakPolarHBondContact O-CA 3.42Å; C78-G82 PolarHBondContact O-N 2.79Å; C78-G82 VanDerWaalsContact O-O 3.06Å; C78-P199 CarbonylContact C-O 3.53Å; C78-P199 WeakPolarHBondContact CA-O 3.44Å
79V91Very high90.8Very high6 Ų641.2 Ų41.24%0.03627%0.273CS..THydrogen-bonded Turntrans-62.9-34.7-179.8173.90000112.8I153 I159 F162 V198 P199 D200V79-I153 HydrophobicContact CG1-CD1 4.1Å; V79-I159 WeakPolarHBondContact CG1-O 3.39Å; V79-F162 HydrophobicContact CG1-CE2 4.38Å; V79-F162 HydrophobicContact CG2-CD2 4.41Å; V79-F162 HydrophobicContact CG2-CE2 3.6Å; V79-F162 HydrophobicContact CG2-CZ 4.43Å; V79-V198 HydrophobicContact CG2-CG1 4.24Å; V79-P199 WeakPolarHBondContact CG2-O 3.17Å; V79-P199 PolarHBondContact N-O 2.74Å; V79-D200 HydrophobicContact CB-CB 4.34Å; V79-D200 HydrophobicContact CG2-CB 3.54Å
80S87.9Confident90.8Very high92 Ų9243 Ų4364%0.64328%0.277SS*.THydrogen-bonded Turntrans-76.9-42.5-179.457.40000113.2C78C78-S80 VanDerWaalsContact C-N 3.29Å; C78-S80 PolarHBondContact O-N 2.86Å; C78-S80 PolarHBondContact SG-OG 3.49Å
81D89Confident90.6Very high97 Ų9744.8 Ų44.852%0.51929%0.285SS..THydrogen-bonded Turntrans-95.5-9.1-172.3-49.7-17.1000111.4C78 H150C78-D81 WeakPolarHBondContact SG-CB 3.42Å; C78-D81 PolarHBondContact SG-N 3.46Å; C78-D81 PolarHBondContact SG-OD2 2.82Å; D81-H150 PolarHBondContact O-CE1 2.81Å; D81-H150 VanDerWaalsContact O-CE1 3.27Å; D81-H150 PolarHBondContact O-NE2 3.02Å
82G92.6Very high90.6Very high0 Ų043.5 Ų43.50%027%0.273CS..BIsolated β-bridgetrans84.3-166.9-17900000113.8A77 C78 T151A77-G82 WeakPolarHBondContact CA-O 3.48Å; C78-G82 PolarHBondContact N-O 3.22Å; C78-G82 CarbonylContact O-C 3.57Å; C78-G82 VanDerWaalsContact O-CA 3.28Å; C78-G82 WeakPolarHBondContact O-CA 3.42Å; C78-G82 PolarHBondContact O-N 2.79Å; C78-G82 VanDerWaalsContact O-O 3.06Å; G82-T151 CarbonylContact C-O 3.57Å; G82-T151 WeakPolarHBondContact CA-O 3.23Å
83V95.3Very high90.6Very high2 Ų241 Ų411%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-136.8138-179.4177.40000109.2L72 A77 L85 W99 T151 L172 V198L72-V83 HydrophobicContact CD2-CG1 4.02Å; A77-V83 HydrophobicContact CB-CG2 3.97Å; V83-L85 HydrophobicContact CG1-CD2 3.82Å; V83-L85 HydrophobicContact CG1-CG 4.42Å; V83-W99 HydrophobicContact CG2-CH2 4.03Å; V83-T151 PolarHBondContact N-O 3.43Å; V83-T151 PolarHBondContact O-N 2.94Å; V83-L172 HydrophobicContact CB-CD2 4.46Å; V83-V198 HydrophobicContact CG2-CB 4.2Å; V83-V198 HydrophobicContact CG2-CG1 3.5Å; V83-V198 VanDerWaalsContact CG2-CG1 3.5Å; V83-V198 HydrophobicContact CG2-CG2 3.65Å
84L95.6Very high91Very high41 Ų4141.4 Ų41.422%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-88.4130.4168.5-70162.5000109.5G73 E148 H150G73-L84 PolarHBondContact N-O 3.29Å; L84-E148 HydrophobicContact CD2-CB 4.24Å; L84-H150 HydrophobicContact CD2-CB 3.64Å
85L95.3Very high91.6Very high0 Ų035.6 Ų35.60%022%0.218CC..EExtended strand (participates in β ladder)trans-117.8130.6176.9-57.8176.9000108.3L70 L72 V83 P87 L95 E148 C149 T151 L172 A174 I196L70-L85 HydrophobicContact CD1-CB 4.03Å; L70-L85 HydrophobicContact CD2-CD1 4.46Å; L70-L85 HydrophobicContact CD2-CD2 4.47Å; L72-L85 HydrophobicContact CD2-CD2 3.85Å; V83-L85 HydrophobicContact CG1-CD2 3.82Å; V83-L85 HydrophobicContact CG1-CG 4.42Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; L85-L95 HydrophobicContact CB-CD2 4.49Å; L85-L95 HydrophobicContact CD1-CD2 4.16Å; L85-E148 CarbonylContact O-C 3.53Å; L85-E148 WeakPolarHBondContact O-CA 3.4Å; L85-C149 PolarHBondContact N-O 2.86Å; L85-C149 PolarHBondContact O-N 3.42Å; L85-T151 HydrophobicContact CD1-CG2 3.98Å; L85-T151 HydrophobicContact CG-CG2 4.44Å; L85-L172 HydrophobicContact CD1-CD2 4.43Å; L85-L172 HydrophobicContact CD2-CD2 4.46Å; L85-A174 HydrophobicContact CD1-CB 4.42Å; L85-I196 HydrophobicContact CD2-CD1 3.72Å
86K94.4Very high92.4Very high60 Ų6034 Ų3426%0.26120%0.202SC..EExtended strand (participates in β ladder)trans-105.794.6175.9-172.1176-179.5176.70109.3A71 E146 E148A71-K86 HydrophobicContact CB-CB 4.47Å; A71-K86 PolarHBondContact N-O 2.93Å; A71-K86 PolarHBondContact O-N 3.11Å; K86-E146 IonicContact NZ-OE2 2.74Å; K86-E146 PolarHBondContact NZ-OE2 3.04Å; K86-E148 HydrophobicContact CB-CG 4.26Å; K86-E148 HydrophobicContact CG-CG 4.41Å
87P93.3Very high93.1Very high0 Ų029.1 Ų29.10%017%0.17CC..EExtended strand (participates in β ladder)trans-75.8140.3172.230.7-32.1000110.3S69 L70 L85 I141S69-P87 WeakPolarHBondContact O-CA 3.49Å; L70-P87 HydrophobicContact CD1-CB 3.82Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-I141 HydrophobicContact CB-CD1 4.41Å; P87-I141 HydrophobicContact CB-CG1 4.19Å; P87-I141 HydrophobicContact CB-CG2 4.01Å; P87-I141 HydrophobicContact CG-CD1 3.62Å; P87-I141 HydrophobicContact CG-CG1 3.93Å; P87-I141 HydrophobicContact CG-CG2 3.87Å
88C90.6Very high93.5Very high60 Ų6027.8 Ų27.841%0.40516%0.159SC..EExtended strand (participates in β ladder)trans-134.595.3172.5-58.20000107.2S69S69-C88 WeakPolarHBondContact CB-O 3.24Å; S69-C88 PolarHBondContact N-O 3Å; S69-C88 VanDerWaalsContact N-O 3.11Å; S69-C88 PolarHBondContact O-N 2.82Å
89C91.5Very high93.7Very high9 Ų926.5 Ų26.56%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-113.4143.5-171.8-58.60000110.5P67 E91 C93P67-C89 VanDerWaalsContact O-CA 3.32Å; P67-C89 WeakPolarHBondContact O-CA 3.19Å; C89-E91 VanDerWaalsContact C-N 3.28Å; C89-E91 WeakPolarHBondContact CB-O 3.5Å; C89-C93 HydrophobicContact CB-CB 4.19Å
90L91.4Very high93.9Very high101 Ų10126.2 Ų26.253%0.52915%0.149SC..SBendtrans-72.3-27.7176.7-61-178.5000112T65 P67 S143T65-L90 HydrophobicContact CG2-CD1 3.88Å; P67-L90 HydrophobicContact CB-CB 4.48Å; P67-L90 PolarHBondContact O-N 3.37Å; L90-S143 WeakPolarHBondContact O-CB 3.41Å
91E91.8Very high94.3Very high47 Ų4721.9 Ų21.922%0.2212%0.118CC..SBendtrans-125.9162.8-178.4-61.6-64169.400110.6C89 C93 L178 A183 Y187C89-E91 VanDerWaalsContact C-N 3.28Å; C89-E91 WeakPolarHBondContact CB-O 3.5Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 PolarHBondContact O-SG 2.94Å; E91-L178 HydrophobicContact CB-CD2 3.63Å; E91-L178 HydrophobicContact CG-CD2 4.08Å; E91-A183 HydrophobicContact CG-CB 4.36Å; E91-Y187 HydrophobicContact CG-CD2 4.48Å; E91-Y187 HydrophobicContact CG-CE2 3.49Å; E91-Y187 VanDerWaalsContact CG-CE2 3.49Å; E91-Y187 PolarHBondContact OE1-OH 3.07Å
92P93Very high94.7Very high18 Ų1819.8 Ų19.812%0.11711%0.106CC..  trans-55.7123.9168.2-24.134.5000112.1Y140 I141 A179P92-Y140 HydrophobicContact CB-CE1 4.35Å; P92-I141 CarbonylContact C-O 3.57Å; P92-I141 VanDerWaalsContact CA-O 3.28Å; P92-I141 WeakPolarHBondContact CA-O 3.46Å; P92-A179 HydrophobicContact CB-CB 4.27Å; P92-A179 WeakPolarHBondContact O-CB 3.34Å; P92-A179 PolarHBondContact O-N 2.9Å
93C94Very high94.8Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-127.9156.5-174.1-68.90000111.5F68 C89 E91 I141 L176 T177F68-C93 VanDerWaalsContact CD1-SG 3.57Å; F68-C93 HydrophobicContact CE1-CB 4.49Å; F68-C93 WeakPolarHBondContact CE1-SG 3.38Å; C89-C93 HydrophobicContact CB-CB 4.19Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 PolarHBondContact O-SG 2.94Å; C93-I141 HydrophobicContact CB-CB 4.43Å; C93-I141 PolarHBondContact N-O 2.91Å; C93-I141 PolarHBondContact O-N 3.2Å; C93-L176 HydrophobicContact CB-CD2 4.26Å; C93-T177 CarbonylContact C-O 3.57Å; C93-T177 WeakPolarHBondContact CA-O 3.35Å
94V95.5Very high94.8Very high24 Ų2422.8 Ų22.815%0.14513%0.13CC..EExtended strand (participates in β ladder)trans-106.8120.7167.6-177.80000108.4P122 F139 Y140 L176 T177 A179V94-P122 HydrophobicContact CB-CG 3.74Å; V94-P122 HydrophobicContact CG1-CB 4.32Å; V94-P122 HydrophobicContact CG1-CG 3.67Å; V94-P122 HydrophobicContact CG2-CG 4.22Å; V94-F139 WeakPolarHBondContact CA-O 3.32Å; V94-Y140 HydrophobicContact CG2-CD2 4.23Å; V94-L176 WeakPolarHBondContact O-CA 3.29Å; V94-T177 PolarHBondContact N-O 3.47Å; V94-T177 PolarHBondContact O-N 3.36Å; V94-T177 VanDerWaalsContact O-N 3.12Å; V94-A179 HydrophobicContact CG2-CB 3.98Å
95L96.8Very high94.8Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-92.5116.6171.4173.462.1000108.9L70 L85 T138 F139 I141 C149 A174 L176L70-L95 HydrophobicContact CD1-CD1 4.32Å; L70-L95 HydrophobicContact CD1-CD2 4.3Å; L70-L95 HydrophobicContact CD2-CD1 4.41Å; L85-L95 HydrophobicContact CB-CD2 4.49Å; L85-L95 HydrophobicContact CD1-CD2 4.16Å; L95-T138 CarbonylContact O-C 3.57Å; L95-T138 VanDerWaalsContact O-CA 3.24Å; L95-T138 WeakPolarHBondContact O-CA 3.47Å; L95-F139 HydrophobicContact CB-CB 4.31Å; L95-F139 HydrophobicContact CD2-CD2 4.15Å; L95-F139 HydrophobicContact CG-CD2 4.34Å; L95-F139 PolarHBondContact N-O 3.24Å; L95-F139 PolarHBondContact O-N 2.77Å; L95-I141 HydrophobicContact CB-CD1 4.29Å; L95-I141 HydrophobicContact CB-CG1 4.03Å; L95-C149 HydrophobicContact CD2-CB 4.15Å; L95-A174 HydrophobicContact CD1-CB 4.01Å; L95-L176 HydrophobicContact CB-CD2 3.76Å; L95-L176 HydrophobicContact CD1-CD2 3.91Å; L95-L176 HydrophobicContact CD1-CG 4.04Å; L95-L176 HydrophobicContact CG-CD2 4.39Å
96S97.1Very high94.8Very high0 Ų021.2 Ų21.20%012%0.122CC..EExtended strand (participates in β ladder)trans-108.8117.8175.6-51.20000109.8A174 V175S96-A174 CarbonylContact O-C 3.51Å; S96-A174 WeakPolarHBondContact O-CA 3.49Å; S96-V175 PolarHBondContact N-O 3.27Å; S96-V175 PolarHBondContact O-N 2.9Å
97C97.5Very high94.8Very high0 Ų021.9 Ų21.90%013%0.126CC..EExtended strand (participates in β ladder)trans-103.7117.1-179-65.90000109.7H136 Q137 T151 L172C97-H136 WeakPolarHBondContact O-CA 3.34Å; C97-Q137 PolarHBondContact N-O 3.14Å; C97-Q137 PolarHBondContact O-N 3.39Å; C97-T151 HydrophobicContact CB-CG2 4.2Å; C97-L172 HydrophobicContact CB-CD1 4.03Å
98F97.2Very high94.8Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-110.2112.1177.6-57.4-88.3000110C101 L126 L129 F133 H136 L172 V173 V175F98-C101 HydrophobicContact CB-CB 4.36Å; F98-L126 HydrophobicContact CE1-CG 4.46Å; F98-L129 HydrophobicContact CD1-CD1 3.71Å; F98-L129 HydrophobicContact CD2-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD1 3.73Å; F98-L129 HydrophobicContact CE2-CD1 4.2Å; F98-L129 HydrophobicContact CG-CD1 3.95Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; F98-F133 AromaticContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD2 4.41Å; F98-F133 AromaticContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CG 4.07Å; F98-F133 HydrophobicContact CD1-CZ 4.37Å; F98-F133 HydrophobicContact CE1-CD1 4.39Å; F98-F133 HydrophobicContact CE1-CE1 4.12Å; F98-F133 HydrophobicContact CE1-CZ 4.46Å; F98-H136 HydrophobicContact CD1-CB 4.17Å; F98-H136 AromaticContact CD1-CD2 3.54Å; F98-H136 HydrophobicContact CE1-CB 4.39Å; F98-H136 AromaticContact CE1-CD2 3.18Å; F98-H136 WeakPolarHBondContact CE1-CD2 3.41Å; F98-H136 AromaticContact CE1-CG 3.91Å; F98-H136 AromaticContact CE1-NE2 3.8Å; F98-H136 AromaticContact CZ-CD2 3.6Å; F98-H136 AromaticContact CZ-NE2 3.83Å; F98-L172 WeakPolarHBondContact O-CA 3.34Å; F98-V173 HydrophobicContact CB-CB 4.42Å; F98-V173 PolarHBondContact N-O 2.99Å; F98-V173 PolarHBondContact O-N 3.15Å; F98-V175 HydrophobicContact CD2-CG2 4.17Å; F98-V175 HydrophobicContact CE2-CB 4.33Å; F98-V175 HydrophobicContact CE2-CG2 3.93Å
99W96.6Very high94.9Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-89.8136.6177.3-74.587.7000111.3V83 C101 H134 Y135 T151 I153 F162 P171 L172 V198V83-W99 HydrophobicContact CG2-CH2 4.03Å; W99-C101 VanDerWaalsContact C-N 3.32Å; W99-C101 PolarHBondContact O-N 3.16Å; W99-H134 PolarHBondContact O-N 2.84Å; W99-Y135 AromaticContact CD1-CD1 3.75Å; W99-Y135 HydrophobicContact CG-CD1 4.42Å; W99-Y135 PolarHBondContact N-O 2.99Å; W99-Y135 PolarHBondContact O-N 3.24Å; W99-T151 HydrophobicContact CZ2-CG2 4.01Å; W99-T151 WeakPolarHBondContact CZ2-O 3.34Å; W99-T151 PolarHBondContact NE1-OG1 2.95Å; W99-I153 HydrophobicContact CB-CD1 3.91Å; W99-I153 HydrophobicContact CB-CG1 3.74Å; W99-I153 HydrophobicContact CD2-CD1 4.02Å; W99-I153 HydrophobicContact CD2-CG1 3.49Å; W99-I153 VanDerWaalsContact CD2-CG1 3.49Å; W99-I153 HydrophobicContact CE3-CD1 3.66Å; W99-I153 HydrophobicContact CE3-CG1 3.58Å; W99-I153 HydrophobicContact CG-CD1 4.17Å; W99-I153 HydrophobicContact CG-CG1 3.59Å; W99-I153 HydrophobicContact CZ3-CD1 4.42Å; W99-I153 HydrophobicContact CZ3-CG1 4.3Å; W99-F162 HydrophobicContact CE3-CZ 4.3Å; W99-P171 WeakPolarHBondContact CA-O 3.29Å; W99-L172 HydrophobicContact CD2-CD1 4.1Å; W99-L172 HydrophobicContact CE3-CB 4.4Å; W99-L172 HydrophobicContact CG-CD1 4.23Å; W99-L172 HydrophobicContact CZ2-CD1 4.41Å; W99-L172 HydrophobicContact CZ2-CD2 4.31Å; W99-V198 HydrophobicContact CH2-CG1 4.1Å; W99-V198 HydrophobicContact CH2-CG2 4.12Å; W99-V198 HydrophobicContact CZ3-CB 4.23Å; W99-V198 HydrophobicContact CZ3-CG1 4.1Å; W99-V198 HydrophobicContact CZ3-CG2 4.04Å
100G95.5Very high94.9Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans62.837.9179.800000113.6E102 H169 Y170 P171G100-E102 PolarHBondContact O-N 2.74Å; G100-H169 PolarHBondContact O-CD2 3.48Å; G100-H169 VanDerWaalsContact O-CD2 3.25Å; G100-Y170 CarbonylContact C-O 3.31Å; G100-Y170 WeakPolarHBondContact CA-O 3.4Å; G100-Y170 PolarHBondContact N-O 2.89Å; G100-P171 PolarHBondContact N-O 3.43Å
101C96.2Very high94.9Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-68.8129179.6-176.90000110.2F98 W99 V103 H169 Y170 V173F98-C101 HydrophobicContact CB-CB 4.36Å; W99-C101 VanDerWaalsContact C-N 3.32Å; W99-C101 PolarHBondContact O-N 3.16Å; C101-V103 PolarHBondContact O-N 2.97Å; C101-H169 CarbonylContact O-C 3.58Å; C101-H169 VanDerWaalsContact O-CA 3.29Å; C101-H169 WeakPolarHBondContact O-CA 2.99Å; C101-Y170 PolarHBondContact N-O 3.43Å; C101-Y170 VanDerWaalsContact N-O 3.13Å; C101-Y170 PolarHBondContact O-N 2.89Å; C101-V173 HydrophobicContact CB-CB 4.26Å; C101-V173 HydrophobicContact CB-CG2 3.68Å
102E96.8Very high94.6Very high54 Ų5424 Ų2425%0.25213%0.127SC..EExtended strand (participates in β ladder)trans-64.7130.9178.3-168.5-178.816300111.1G100 G104 A105 L106 R132G100-E102 PolarHBondContact O-N 2.74Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.37Å; E102-A105 HydrophobicContact CB-CB 3.97Å; E102-A105 PolarHBondContact O-N 3.38Å; E102-L106 PolarHBondContact O-N 2.85Å; E102-R132 HydrophobicContact CB-CB 4.22Å; E102-R132 PolarHBondContact N-O 2.7Å; E102-R132 IonicContact OE1-CZ 3.6Å; E102-R132 IonicContact OE1-NH2 2.73Å; E102-R132 PolarHBondContact OE1-NH2 2.8Å; E102-R132 IonicContact OE2-CZ 2.87Å; E102-R132 IonicContact OE2-NE 2.66Å; E102-R132 PolarHBondContact OE2-NE 3.49Å; E102-R132 IonicContact OE2-NH2 2.77Å; E102-R132 PolarHBondContact OE2-NH2 3.22Å
103V95.8Very high94.4Very high34 Ų3423.3 Ų23.321%0.20612%0.123CC..Hα-helixtrans-59.5-43.2-176.4175.70000111.1C101 L106 Q107 K168 Y170C101-V103 PolarHBondContact O-N 2.97Å; V103-L106 PolarHBondContact O-N 2.84Å; V103-Q107 VanDerWaalsContact O-CG 3.3Å; V103-Q107 WeakPolarHBondContact O-CG 3.33Å; V103-Q107 PolarHBondContact O-N 2.96Å; V103-Q107 VanDerWaalsContact O-N 3.14Å; V103-K168 WeakPolarHBondContact CG2-O 3.31Å; V103-K168 PolarHBondContact N-O 3.49Å; V103-Y170 HydrophobicContact CB-CD2 4.39Å; V103-Y170 HydrophobicContact CB-CE2 3.97Å; V103-Y170 HydrophobicContact CG1-CE2 3.79Å; V103-Y170 HydrophobicContact CG2-CD1 4.16Å; V103-Y170 HydrophobicContact CG2-CD2 3.79Å; V103-Y170 HydrophobicContact CG2-CE1 4.01Å; V103-Y170 HydrophobicContact CG2-CE2 3.64Å; V103-Y170 HydrophobicContact CG2-CG 4.05Å
104G95.4Very high93.9Very high31 Ų3128.1 Ų28.132%0.3215%0.145SC..Hα-helixtrans-63.6-43.8177.600000112.3E102 L106 Q107 D108E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.37Å; G104-L106 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.86Å; G104-D108 VanDerWaalsContact O-CG 3.25Å; G104-D108 PolarHBondContact O-N 2.79Å
105A95.3Very high93.2Very high4 Ų433 Ų333%0.03317%0.167CC..Hα-helixtrans-61-45.7178.500000111.7E102 Q107 D108 V109 L129 R132E102-A105 HydrophobicContact CB-CB 3.97Å; E102-A105 PolarHBondContact O-N 3.38Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.85Å; A105-D108 PolarHBondContact O-N 2.81Å; A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.32Å; A105-V109 PolarHBondContact O-N 2.85Å; A105-L129 HydrophobicContact CB-CD2 4.35Å; A105-R132 HydrophobicContact CB-CB 3.75Å; A105-R132 HydrophobicContact CB-CG 4.36Å
106L95.5Very high92Very high3 Ų339.9 Ų39.92%0.01620%0.203CC..Hα-helixtrans-60.8-43.7177.1-177.363.9000111.8E102 V103 G104 D108 V109 L110 Y170 V173 V193 V195E102-L106 PolarHBondContact O-N 2.85Å; V103-L106 PolarHBondContact O-N 2.84Å; G104-L106 PolarHBondContact O-N 3.22Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-D108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.39Å; L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.41Å; L106-L110 HydrophobicContact CG-CD1 4.11Å; L106-L110 HydrophobicContact CG-CG 4.45Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 2.88Å; L106-Y170 HydrophobicContact CD2-CD2 3.9Å; L106-Y170 HydrophobicContact CD2-CE2 3.88Å; L106-V173 HydrophobicContact CD1-CG1 4.15Å; L106-V173 HydrophobicContact CD2-CG1 4.23Å; L106-V173 HydrophobicContact CD2-CG2 4Å; L106-V193 HydrophobicContact CD1-CG1 4.14Å; L106-V195 HydrophobicContact CD2-CG2 3.69Å
107Q93.8Very high90.8Very high74 Ų7443.4 Ų43.435%0.34622%0.222SC..Hα-helixtrans-63.2-40.1178.1-72.1-70.7-3100112.1V103 G104 A105 L110 R111V103-Q107 VanDerWaalsContact O-CG 3.3Å; V103-Q107 WeakPolarHBondContact O-CG 3.33Å; V103-Q107 PolarHBondContact O-N 2.96Å; V103-Q107 VanDerWaalsContact O-N 3.14Å; G104-Q107 PolarHBondContact O-N 2.86Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.85Å; Q107-L110 PolarHBondContact O-N 2.82Å; Q107-R111 WeakPolarHBondContact O-CB 3.37Å; Q107-R111 PolarHBondContact O-N 2.77Å
108D92.8Very high90.1Very high71 Ų7150.7 Ų50.738%0.3825%0.249SC..Hα-helixtrans-65.8-41.3176.3-68.4-26.6000111.3G104 A105 L106 R111 T112G104-D108 VanDerWaalsContact O-CG 3.25Å; G104-D108 PolarHBondContact O-N 2.79Å; A105-D108 PolarHBondContact O-N 2.81Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-D108 PolarHBondContact O-N 2.88Å; D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 IonicContact OD1-NH1 3.46Å; D108-T112 WeakPolarHBondContact O-CB 3.49Å; D108-T112 PolarHBondContact O-N 2.82Å; D108-T112 PolarHBondContact O-OG1 2.76Å
109V93Very high89.5Confident4 Ų450.8 Ų50.82%0.02425%0.25CC..Hα-helixtrans-60.3-49.4174.5169.80000111.1A105 L106 R111 T112 H113 L119 F125 A128 L129A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.32Å; A105-V109 PolarHBondContact O-N 2.85Å; L106-V109 PolarHBondContact O-N 3.39Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.8Å; V109-T112 PolarHBondContact O-N 3.12Å; V109-H113 PolarHBondContact O-N 2.91Å; V109-L119 HydrophobicContact CG1-CD1 3.38Å; V109-L119 HydrophobicContact CG1-CD2 4.31Å; V109-F125 HydrophobicContact CG1-CD1 4.13Å; V109-F125 HydrophobicContact CG1-CE1 4.24Å; V109-A128 HydrophobicContact CB-CB 4.47Å; V109-A128 HydrophobicContact CG1-CB 4.06Å; V109-A128 VanDerWaalsContact CG2-C 3.42Å; V109-A128 HydrophobicContact CG2-CB 3.72Å; V109-A128 VanDerWaalsContact CG2-O 3.24Å; V109-A128 WeakPolarHBondContact CG2-O 3.31Å; V109-L129 HydrophobicContact CG2-CD2 3.87Å; V109-L129 HydrophobicContact CG2-CG 4.15Å
110L92.3Very high89Confident3 Ų352.1 Ų52.12%0.01626%0.258CS..Hα-helixtrans-62.2-38.2178.5-69.3174.5000112.1L106 Q107 H113 V193 Y213 L215 M221L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.41Å; L106-L110 HydrophobicContact CG-CD1 4.11Å; L106-L110 HydrophobicContact CG-CG 4.45Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 2.88Å; Q107-L110 PolarHBondContact O-N 2.82Å; L110-H113 WeakPolarHBondContact O-CB 3.36Å; L110-H113 PolarHBondContact O-N 2.89Å; L110-V193 HydrophobicContact CD2-CG2 4.33Å; L110-Y213 HydrophobicContact CD1-CD2 4.07Å; L110-Y213 HydrophobicContact CD1-CE2 4.17Å; L110-Y213 HydrophobicContact CD1-CG 4.42Å; L110-L215 HydrophobicContact CD2-CD1 4.49Å; L110-L215 HydrophobicContact CD2-CD2 3.97Å; L110-M221 HydrophobicContact CB-SD 3.85Å; L110-M221 HydrophobicContact CD1-SD 4.1Å; L110-M221 HydrophobicContact CD2-SD 4.09Å; L110-M221 HydrophobicContact CG-SD 4.23Å
111R90.3Very high88.6Confident128 Ų12852.6 Ų52.648%0.48326%0.261SS..Hα-helixtrans-69.5-41.1175-171-174.3-60.2143.76.6112.2Q107 D108 V109 H113 Q114 Q115Q107-R111 WeakPolarHBondContact O-CB 3.37Å; Q107-R111 PolarHBondContact O-N 2.77Å; D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 IonicContact OD1-NH1 3.46Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.8Å; R111-H113 PolarHBondContact O-N 2.88Å; R111-Q114 WeakPolarHBondContact O-CB 3.35Å; R111-Q114 PolarHBondContact O-N 3.42Å; R111-Q115 PolarHBondContact O-N 2.97Å
112T87.3Confident88.3Confident55 Ų5553.9 Ų53.934%0.33727%0.269SS..Hα-helixtrans-62.3-32.1178.9-56.70000111.1D108 V109 Q114 Q115 N116 L117D108-T112 WeakPolarHBondContact O-CB 3.49Å; D108-T112 PolarHBondContact O-N 2.82Å; D108-T112 PolarHBondContact O-OG1 2.76Å; V109-T112 PolarHBondContact O-N 3.12Å; T112-Q114 VanDerWaalsContact C-N 3.26Å; T112-Q114 PolarHBondContact O-N 2.83Å; T112-Q115 PolarHBondContact O-N 2.96Å; T112-N116 PolarHBondContact O-N 3.15Å; T112-L117 HydrophobicContact CG2-CB 3.96Å; T112-L117 PolarHBondContact O-N 3.13Å
113H87.1Confident88Confident4 Ų457.9 Ų57.92%0.01929%0.288CS..Hα-helixtrans-57.2-40172.9-174.553.3000113.6V109 L110 R111 Q115 L117 L119 T216V109-H113 PolarHBondContact O-N 2.91Å; L110-H113 WeakPolarHBondContact O-CB 3.36Å; L110-H113 PolarHBondContact O-N 2.89Å; R111-H113 PolarHBondContact O-N 2.88Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 3.15Å; H113-L117 VanDerWaalsContact CA-O 3.26Å; H113-L117 WeakPolarHBondContact CA-O 3.19Å; H113-L117 PolarHBondContact ND1-O 2.81Å; H113-L117 VanDerWaalsContact ND1-O 3.11Å; H113-L119 HydrophobicContact CB-CD1 3.78Å; H113-L119 HydrophobicContact CB-CG 4.12Å; H113-L119 PolarHBondContact ND1-N 3.41Å; H113-T216 PolarHBondContact NE2-O 3.49Å
114Q84.6Confident87.7Confident102 Ų10259.1 Ų59.148%0.47729%0.292SS..Hα-helixtrans-73.2-22.8-179.7-60.5179.7-49.200113.5R111 T112 G219 M221R111-Q114 WeakPolarHBondContact O-CB 3.35Å; R111-Q114 PolarHBondContact O-N 3.42Å; T112-Q114 VanDerWaalsContact C-N 3.26Å; T112-Q114 PolarHBondContact O-N 2.83Å; Q114-G219 VanDerWaalsContact CA-O 3.25Å; Q114-G219 WeakPolarHBondContact CA-O 3.41Å; Q114-M221 HydrophobicContact CG-CB 4.39Å
115Q81.6Confident87.5Confident127 Ų12757.7 Ų57.759%0.59328%0.277SS*.Hα-helixtrans-103.4-51.7-170.2-65.4-178.3-14.500112.6R111 T112 H113R111-Q115 PolarHBondContact O-N 2.97Å; T112-Q115 PolarHBondContact O-N 2.96Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 3.15Å
116N69.7Low87.3Confident143 Ų14359.8 Ų59.877%0.76529%0.287SS*.THydrogen-bonded Turntrans-144-21.4-160.9-66.3-47.2000115.8T112T112-N116 PolarHBondContact O-N 3.15Å
117L73.2Confident87.1Confident74 Ų7465.5 Ų65.539%0.38731%0.314SS..  trans-128.4123.6-171.8-166.473.8000113.1T112 H113 L119 A128T112-L117 HydrophobicContact CG2-CB 3.96Å; T112-L117 PolarHBondContact O-N 3.13Å; H113-L117 VanDerWaalsContact CA-O 3.26Å; H113-L117 WeakPolarHBondContact CA-O 3.19Å; H113-L117 PolarHBondContact ND1-O 2.81Å; H113-L117 VanDerWaalsContact ND1-O 3.11Å; L117-L119 HydrophobicContact CD2-CD2 4.03Å; L117-L119 PolarHBondContact O-N 3.22Å; L117-A128 HydrophobicContact CD2-CB 4.48Å
118R82.1Confident87Confident153 Ų15362.9 Ų62.958%0.57730%0.304SS*.  trans-83.6106.5176.8-65.3-172.1-179.7-170.3-2.7110.8T120 H124 S217R118-T120 HydrophobicContact CB-CG2 3.99Å; R118-T120 PolarHBondContact O-N 3.15Å; R118-H124 PolarHBondContact O-ND1 2.88Å; R118-S217 PolarHBondContact NE-O 3.26Å; R118-S217 PolarHBondContact NH1-O 3.15Å
119L84.8Confident86.9Confident2 Ų259.6 Ų59.61%0.0129%0.287CS..  trans-78.371177.7-60.6177.1000110.5V109 H113 L117 H124 F125 A128 L215V109-L119 HydrophobicContact CG1-CD1 3.38Å; V109-L119 HydrophobicContact CG1-CD2 4.31Å; H113-L119 HydrophobicContact CB-CD1 3.78Å; H113-L119 HydrophobicContact CB-CG 4.12Å; H113-L119 PolarHBondContact ND1-N 3.41Å; L117-L119 HydrophobicContact CD2-CD2 4.03Å; L117-L119 PolarHBondContact O-N 3.22Å; L119-H124 HydrophobicContact CD2-CB 4.13Å; L119-F125 HydrophobicContact CB-CD2 4.04Å; L119-F125 HydrophobicContact CB-CE1 4.36Å; L119-F125 HydrophobicContact CB-CE2 3.55Å; L119-F125 HydrophobicContact CB-CZ 3.75Å; L119-F125 HydrophobicContact CD1-CD1 4.23Å; L119-F125 HydrophobicContact CD1-CE1 3.74Å; L119-F125 HydrophobicContact CD1-CE2 4.43Å; L119-F125 HydrophobicContact CD1-CZ 3.87Å; L119-F125 HydrophobicContact CG-CZ 4.4Å; L119-A128 HydrophobicContact CD2-CB 4.06Å; L119-L215 HydrophobicContact CB-CD1 4.02Å; L119-L215 HydrophobicContact CD1-CD1 3.92Å
120T85.2Confident86.7Confident29 Ų2966.5 Ų66.518%0.17832%0.319CS..  trans-100.8-8.2-175.252.90000113.8R118 R184 V190R118-T120 HydrophobicContact CB-CG2 3.99Å; R118-T120 PolarHBondContact O-N 3.15Å; T120-R184 VanDerWaalsContact O-CZ 3.32Å; T120-R184 PolarHBondContact O-NE 3.46Å; T120-V190 HydrophobicContact CG2-CB 4.04Å; T120-V190 HydrophobicContact CG2-CG1 4.13Å; T120-V190 HydrophobicContact CG2-CG2 4.13Å
121S88.6Confident86.6Confident10 Ų1073 Ų737%0.0735%0.348CS..SBendtrans-135.8156.2-175.1800000111.5Q123 H124 F125S121-Q123 PolarHBondContact O-N 3.46Å; S121-H124 PolarHBondContact O-N 3.31Å; S121-H124 PolarHBondContact OG-CD2 3.23Å; S121-H124 PolarHBondContact OG-N 3.27Å; S121-H124 PolarHBondContact OG-ND1 3.07Å; S121-F125 PolarHBondContact O-N 3.31Å
122P89.8Confident86.8Confident26 Ų2671.6 Ų71.617%0.16934%0.343CS..Hα-helixtrans-56.9-38.3174.6-23.933.2000112.9V94 F125 L126 T177V94-P122 HydrophobicContact CB-CG 3.74Å; V94-P122 HydrophobicContact CG1-CB 4.32Å; V94-P122 HydrophobicContact CG1-CG 3.67Å; V94-P122 HydrophobicContact CG2-CG 4.22Å; P122-F125 PolarHBondContact O-N 3.49Å; P122-L126 PolarHBondContact O-N 3.3Å; P122-T177 VanDerWaalsContact CD-OG1 3.25Å; P122-T177 WeakPolarHBondContact CD-OG1 3.39Å; P122-T177 VanDerWaalsContact CG-OG1 3.3Å; P122-T177 WeakPolarHBondContact CG-OG1 3.48Å
123Q90Very high87.2Confident138 Ų13870.8 Ų70.865%0.64534%0.335SS*.Hα-helixtrans-64.5-43.3-178.8-68.6174.3-12.300111.4S121 F125 L126 E127S121-Q123 PolarHBondContact O-N 3.46Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.16Å; Q123-L126 PolarHBondContact O-N 2.79Å; Q123-L126 VanDerWaalsContact O-N 3.13Å; Q123-E127 WeakPolarHBondContact O-CG 3.15Å; Q123-E127 PolarHBondContact O-N 3.42Å
124H89.9Confident87.5Confident60 Ų6074.4 Ų74.428%0.27835%0.352SS..Hα-helixtrans-59.3-40.5176.8-62166.4000111.6R118 L119 S121 A128R118-H124 PolarHBondContact O-ND1 2.88Å; L119-H124 HydrophobicContact CD2-CB 4.13Å; S121-H124 PolarHBondContact O-N 3.31Å; S121-H124 PolarHBondContact OG-CD2 3.23Å; S121-H124 PolarHBondContact OG-N 3.27Å; S121-H124 PolarHBondContact OG-ND1 3.07Å; H124-A128 WeakPolarHBondContact O-CB 3.03Å; H124-A128 PolarHBondContact O-N 2.85Å
125F90.6Very high88Confident1 Ų172.3 Ų72.30%0.00434%0.34CS..Hα-helixtrans-65.5-42.7175.7-88.4-83.3000112.4V109 L119 S121 P122 Q123 A128 L129 V175 T177 A191 V193 L215V109-F125 HydrophobicContact CG1-CD1 4.13Å; V109-F125 HydrophobicContact CG1-CE1 4.24Å; L119-F125 HydrophobicContact CB-CD2 4.04Å; L119-F125 HydrophobicContact CB-CE1 4.36Å; L119-F125 HydrophobicContact CB-CE2 3.55Å; L119-F125 HydrophobicContact CB-CZ 3.75Å; L119-F125 HydrophobicContact CD1-CD1 4.23Å; L119-F125 HydrophobicContact CD1-CE1 3.74Å; L119-F125 HydrophobicContact CD1-CE2 4.43Å; L119-F125 HydrophobicContact CD1-CZ 3.87Å; L119-F125 HydrophobicContact CG-CZ 4.4Å; S121-F125 PolarHBondContact O-N 3.31Å; P122-F125 PolarHBondContact O-N 3.49Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.16Å; F125-A128 PolarHBondContact O-N 3.18Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.45Å; F125-L129 PolarHBondContact O-N 2.88Å; F125-V175 HydrophobicContact CD1-CG1 4.15Å; F125-V175 HydrophobicContact CD1-CG2 4.26Å; F125-V175 HydrophobicContact CD2-CG1 3.77Å; F125-V175 HydrophobicContact CE1-CG1 3.97Å; F125-V175 HydrophobicContact CE1-CG2 4.29Å; F125-V175 HydrophobicContact CE2-CG1 3.56Å; F125-V175 HydrophobicContact CG-CG1 4.04Å; F125-V175 HydrophobicContact CZ-CG1 3.66Å; F125-T177 HydrophobicContact CD2-CG2 4.21Å; F125-T177 HydrophobicContact CE2-CG2 4.02Å; F125-A191 HydrophobicContact CE2-CB 3.8Å; F125-A191 HydrophobicContact CZ-CB 4.01Å; F125-V193 HydrophobicContact CE1-CG2 3.69Å; F125-V193 HydrophobicContact CZ-CG2 3.61Å; F125-L215 HydrophobicContact CE1-CD1 4.33Å; F125-L215 HydrophobicContact CE2-CD1 4.43Å; F125-L215 HydrophobicContact CZ-CD1 3.58Å
126L91.7Very high88.6Confident48 Ų4868.7 Ų68.725%0.25132%0.323SS..Hα-helixtrans-65.9-40.5-178.1-158.4144.4000111.9F98 P122 Q123 H136F98-L126 HydrophobicContact CE1-CG 4.46Å; P122-L126 PolarHBondContact O-N 3.3Å; Q123-L126 PolarHBondContact O-N 2.79Å; Q123-L126 VanDerWaalsContact O-N 3.13Å; L126-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L126-H136 WeakPolarHBondContact CD1-ND1 3.46Å
127E91.4Very high89.9Confident124 Ų12464.2 Ų64.258%0.57930%0.297SS*.Hα-helixtrans-66.3-47.2173.1-71.7174.8-175.100111.6Q123 L129 H130Q123-E127 WeakPolarHBondContact O-CG 3.15Å; Q123-E127 PolarHBondContact O-N 3.42Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.75Å; E127-H130 PolarHBondContact O-N 3.27Å; E127-H130 PolarHBondContact O-ND1 2.58Å
128A90.5Very high90.9Very high18 Ų1864.3 Ų64.315%0.14930%0.301CS..Hα-helixtrans-66-30.8-17700000112.9V109 L117 L119 H124 F125 H130V109-A128 HydrophobicContact CB-CB 4.47Å; V109-A128 HydrophobicContact CG1-CB 4.06Å; V109-A128 VanDerWaalsContact CG2-C 3.42Å; V109-A128 HydrophobicContact CG2-CB 3.72Å; V109-A128 VanDerWaalsContact CG2-O 3.24Å; V109-A128 WeakPolarHBondContact CG2-O 3.31Å; L117-A128 HydrophobicContact CD2-CB 4.48Å; L119-A128 HydrophobicContact CD2-CB 4.06Å; H124-A128 WeakPolarHBondContact O-CB 3.03Å; H124-A128 PolarHBondContact O-N 2.85Å; F125-A128 PolarHBondContact O-N 3.18Å; A128-H130 PolarHBondContact O-CD2 3.16Å; A128-H130 PolarHBondContact O-N 3.05Å
129L92Very high91.6Very high3 Ų359 Ų592%0.01628%0.283CS..THydrogen-bonded Turntrans-72.2-11.1174-75.8171.8000113.3F98 A105 V109 F125 E127 H131 R132 F133F98-L129 HydrophobicContact CD1-CD1 3.71Å; F98-L129 HydrophobicContact CD2-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD1 3.73Å; F98-L129 HydrophobicContact CE2-CD1 4.2Å; F98-L129 HydrophobicContact CG-CD1 3.95Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; A105-L129 HydrophobicContact CB-CD2 4.35Å; V109-L129 HydrophobicContact CG2-CD2 3.87Å; V109-L129 HydrophobicContact CG2-CG 4.15Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.45Å; F125-L129 PolarHBondContact O-N 2.88Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.75Å; L129-H131 PolarHBondContact O-N 3.44Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 3.46Å; L129-F133 HydrophobicContact CB-CD1 4.21Å; L129-F133 HydrophobicContact CB-CE1 4.41Å; L129-F133 HydrophobicContact CD1-CD1 4.34Å
130H89Confident92Very high148 Ų14864.3 Ų64.369%0.68530%0.303SS*.THydrogen-bonded Turntrans48.437.6178.2-63.9-65.7000114.2E127 A128 R132E127-H130 PolarHBondContact O-N 3.27Å; E127-H130 PolarHBondContact O-ND1 2.58Å; A128-H130 PolarHBondContact O-CD2 3.16Å; A128-H130 PolarHBondContact O-N 3.05Å; H130-R132 PolarHBondContact O-N 2.8Å
131H89.4Confident92.4Very high139 Ų13963.3 Ų63.364%0.64430%0.296SS*.THydrogen-bonded Turntrans59.224.4-178.1-54.5-7.9000114.5L129 F133L129-H131 PolarHBondContact O-N 3.44Å; H131-F133 PolarHBondContact O-N 2.99Å
132R95Very high92.3Very high99 Ų9967.4 Ų67.437%0.37431%0.314SS..  trans-83.653.4175.6-59.7174.372.3172.24.1111.4E102 A105 L129 H130E102-R132 HydrophobicContact CB-CB 4.22Å; E102-R132 PolarHBondContact N-O 2.7Å; E102-R132 IonicContact OE1-CZ 3.6Å; E102-R132 IonicContact OE1-NH2 2.73Å; E102-R132 PolarHBondContact OE1-NH2 2.8Å; E102-R132 IonicContact OE2-CZ 2.87Å; E102-R132 IonicContact OE2-NE 2.66Å; E102-R132 PolarHBondContact OE2-NE 3.49Å; E102-R132 IonicContact OE2-NH2 2.77Å; E102-R132 PolarHBondContact OE2-NH2 3.22Å; A105-R132 HydrophobicContact CB-CB 3.75Å; A105-R132 HydrophobicContact CB-CG 4.36Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 3.46Å; H130-R132 PolarHBondContact O-N 2.8Å
133F94.8Very high91.7Very high39 Ų3969 Ų6917%0.17133%0.326CS..SBendtrans-149.3164.2176.758.3-99.1000109.5F98 L129 H131 H136F98-F133 AromaticContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD2 4.41Å; F98-F133 AromaticContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CG 4.07Å; F98-F133 HydrophobicContact CD1-CZ 4.37Å; F98-F133 HydrophobicContact CE1-CD1 4.39Å; F98-F133 HydrophobicContact CE1-CE1 4.12Å; F98-F133 HydrophobicContact CE1-CZ 4.46Å; L129-F133 HydrophobicContact CB-CD1 4.21Å; L129-F133 HydrophobicContact CB-CE1 4.41Å; L129-F133 HydrophobicContact CD1-CD1 4.34Å; H131-F133 PolarHBondContact O-N 2.99Å; F133-H136 HydrophobicContact CD2-CB 4.02Å; F133-H136 HydrophobicContact CE2-CB 3.4Å; F133-H136 VanDerWaalsContact CE2-CB 3.4Å; F133-H136 HydrophobicContact CZ-CB 3.91Å
134H93.8Very high91Very high79 Ų7971.2 Ų71.237%0.36634%0.336SS..SBendtrans-92.3-40.1-178.1-65.1-40.1000113.6W99 Q157 I159W99-H134 PolarHBondContact O-N 2.84Å; H134-Q157 PolarHBondContact O-NE2 2.92Å; H134-Q157 PolarHBondContact O-OE1 3.46Å; H134-I159 HydrophobicContact CB-CD1 3.62Å
135Y94.5Very high90.1Very high59 Ų5970.7 Ų70.723%0.23134%0.336CS..EExtended strand (participates in β ladder)trans-147.1146.5-179.9176.9-110.1000111W99 Q137 C152 P154W99-Y135 AromaticContact CD1-CD1 3.75Å; W99-Y135 HydrophobicContact CG-CD1 4.42Å; W99-Y135 PolarHBondContact N-O 2.99Å; W99-Y135 PolarHBondContact O-N 3.24Å; Y135-Q137 HydrophobicContact CE1-CB 3.82Å; Y135-C152 WeakPolarHBondContact CE1-O 3.47Å; Y135-P154 HydrophobicContact CD1-CG 4.47Å; Y135-P154 HydrophobicContact CD2-CG 3.7Å; Y135-P154 HydrophobicContact CE1-CG 4.23Å; Y135-P154 HydrophobicContact CE2-CG 3.42Å; Y135-P154 VanDerWaalsContact CE2-CG 3.42Å; Y135-P154 HydrophobicContact CG-CG 4.22Å
136H95.3Very high89.1Confident50 Ų5077.3 Ų77.323%0.23137%0.367CS..EExtended strand (participates in β ladder)trans-135.4133.6-178.8166.8-105.4000110.6C97 F98 L126 F133 T138C97-H136 WeakPolarHBondContact O-CA 3.34Å; F98-H136 HydrophobicContact CD1-CB 4.17Å; F98-H136 AromaticContact CD1-CD2 3.54Å; F98-H136 HydrophobicContact CE1-CB 4.39Å; F98-H136 AromaticContact CE1-CD2 3.18Å; F98-H136 WeakPolarHBondContact CE1-CD2 3.41Å; F98-H136 AromaticContact CE1-CG 3.91Å; F98-H136 AromaticContact CE1-NE2 3.8Å; F98-H136 AromaticContact CZ-CD2 3.6Å; F98-H136 AromaticContact CZ-NE2 3.83Å; L126-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L126-H136 WeakPolarHBondContact CD1-ND1 3.46Å; F133-H136 HydrophobicContact CD2-CB 4.02Å; F133-H136 HydrophobicContact CE2-CB 3.4Å; F133-H136 VanDerWaalsContact CE2-CB 3.4Å; F133-H136 HydrophobicContact CZ-CB 3.91Å; H136-T138 WeakPolarHBondContact CE1-CG2 3.33Å; H136-T138 VanDerWaalsContact NE2-CG2 3.31Å; H136-T138 WeakPolarHBondContact NE2-CG2 3.28Å
137Q95.3Very high88.8Confident49 Ų4981.5 Ų81.523%0.22938%0.383CS..EExtended strand (participates in β ladder)trans-140.6141.3178.6-173178.119.200110C97 Y135 F139 T151C97-Q137 PolarHBondContact N-O 3.14Å; C97-Q137 PolarHBondContact O-N 3.39Å; Y135-Q137 HydrophobicContact CE1-CB 3.82Å; Q137-F139 HydrophobicContact CB-CE2 4.44Å; Q137-F139 HydrophobicContact CG-CE1 4.47Å; Q137-F139 HydrophobicContact CG-CE2 3.81Å; Q137-F139 HydrophobicContact CG-CZ 3.74Å; Q137-F139 VanDerWaalsContact NE2-CZ 3.29Å; Q137-T151 PolarHBondContact OE1-OG1 3.22Å
138T96.1Very high88.8Confident76 Ų7679.8 Ų79.847%0.46638%0.375SS..EExtended strand (participates in β ladder)trans-120.3144.3178.653.60000111.9L95 H136L95-T138 CarbonylContact O-C 3.57Å; L95-T138 VanDerWaalsContact O-CA 3.24Å; L95-T138 WeakPolarHBondContact O-CA 3.47Å; H136-T138 WeakPolarHBondContact CE1-CG2 3.33Å; H136-T138 VanDerWaalsContact NE2-CG2 3.31Å; H136-T138 WeakPolarHBondContact NE2-CG2 3.28Å
139F94.8Very high88.9Confident43 Ų4379.6 Ų79.619%0.18937%0.372CS..EExtended strand (participates in β ladder)trans-126.1139.5172.8-54.7-90.4000109.7V94 L95 Q137 I141 C149 H150V94-F139 WeakPolarHBondContact CA-O 3.32Å; L95-F139 HydrophobicContact CB-CB 4.31Å; L95-F139 HydrophobicContact CD2-CD2 4.15Å; L95-F139 HydrophobicContact CG-CD2 4.34Å; L95-F139 PolarHBondContact N-O 3.24Å; L95-F139 PolarHBondContact O-N 2.77Å; Q137-F139 HydrophobicContact CB-CE2 4.44Å; Q137-F139 HydrophobicContact CG-CE1 4.47Å; Q137-F139 HydrophobicContact CG-CE2 3.81Å; Q137-F139 HydrophobicContact CG-CZ 3.74Å; Q137-F139 VanDerWaalsContact NE2-CZ 3.29Å; F139-I141 HydrophobicContact CB-CD1 3.91Å; F139-C149 HydrophobicContact CD1-CB 4.25Å; F139-C149 HydrophobicContact CD2-CB 4.27Å; F139-C149 HydrophobicContact CE1-CB 4.43Å; F139-C149 HydrophobicContact CE2-CB 4.46Å; F139-C149 HydrophobicContact CG-CB 4.16Å; F139-H150 WeakPolarHBondContact CZ-O 3.4Å
140Y94.1Very high89Confident113 Ų11383.5 Ų83.544%0.44339%0.39SS..EExtended strand (participates in β ladder)trans-91.4123.4169.7-166.8-86.8000108.5P92 V94 H142 A179P92-Y140 HydrophobicContact CB-CE1 4.35Å; V94-Y140 HydrophobicContact CG2-CD2 4.23Å; Y140-H142 AromaticContact CD1-CD2 3.91Å; Y140-H142 AromaticContact CD1-CE1 3.74Å; Y140-H142 AromaticContact CD1-NE2 3.52Å; Y140-H142 AromaticContact CE1-CE1 3.4Å; Y140-H142 WeakPolarHBondContact CE1-CE1 3.33Å; Y140-H142 AromaticContact CE1-ND1 3.69Å; Y140-H142 AromaticContact CE1-NE2 3.7Å; Y140-A179 HydrophobicContact CD2-CB 4.45Å; Y140-A179 HydrophobicContact CE2-CB 3.56Å
141I92.8Very high89.2Confident7 Ų776.5 Ų76.54%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-109.9119.4-176.2-49.6-52.6000108P87 P92 C93 L95 F139 C149P87-I141 HydrophobicContact CB-CD1 4.41Å; P87-I141 HydrophobicContact CB-CG1 4.19Å; P87-I141 HydrophobicContact CB-CG2 4.01Å; P87-I141 HydrophobicContact CG-CD1 3.62Å; P87-I141 HydrophobicContact CG-CG1 3.93Å; P87-I141 HydrophobicContact CG-CG2 3.87Å; P92-I141 CarbonylContact C-O 3.57Å; P92-I141 VanDerWaalsContact CA-O 3.28Å; P92-I141 WeakPolarHBondContact CA-O 3.46Å; C93-I141 HydrophobicContact CB-CB 4.43Å; C93-I141 PolarHBondContact N-O 2.91Å; C93-I141 PolarHBondContact O-N 3.2Å; L95-I141 HydrophobicContact CB-CD1 4.29Å; L95-I141 HydrophobicContact CB-CG1 4.03Å; F139-I141 HydrophobicContact CB-CD1 3.91Å; I141-C149 WeakPolarHBondContact CD1-SG 3.36Å
142H87.3Confident89.4Confident96 Ų9671.9 Ų71.944%0.44434%0.341SS..  trans-83.4148.8169.1-64-86.3000109.8Y140 E144 D145Y140-H142 AromaticContact CD1-CD2 3.91Å; Y140-H142 AromaticContact CD1-CE1 3.74Å; Y140-H142 AromaticContact CD1-NE2 3.52Å; Y140-H142 AromaticContact CE1-CE1 3.4Å; Y140-H142 WeakPolarHBondContact CE1-CE1 3.33Å; Y140-H142 AromaticContact CE1-ND1 3.69Å; Y140-H142 AromaticContact CE1-NE2 3.7Å; H142-E144 PolarHBondContact O-N 2.79Å; H142-D145 HydrophobicContact CB-CB 4.17Å; H142-D145 IonicContact CD2-OD2 3.61Å; H142-D145 PolarHBondContact CD2-OD2 3.07Å; H142-D145 IonicContact CG-OD2 3.69Å; H142-D145 PolarHBondContact O-N 3.02Å; H142-D145 VanDerWaalsContact O-N 3.15Å
143S76.9Confident89.3Confident59 Ų5967.7 Ų67.741%0.41333%0.326SS..THydrogen-bonded Turntrans-62.4-27.2-179.747.50000113.5L90L90-S143 WeakPolarHBondContact O-CB 3.41Å
144E75.5Confident89Confident185 Ų18567.6 Ų67.686%0.86433%0.329SS*.THydrogen-bonded Turntrans-89.4-8.8179-59.4-178.5175.600113.5H142 E146H142-E144 PolarHBondContact O-N 2.79Å; E144-E146 PolarHBondContact O-N 3.44Å
145D70.3Confident88.5Confident50 Ų5068.4 Ų68.427%0.26735%0.35SS..  trans-88106.5-175.3-89.4-34.5000111.1H142 K147H142-D145 HydrophobicContact CB-CB 4.17Å; H142-D145 IonicContact CD2-OD2 3.61Å; H142-D145 PolarHBondContact CD2-OD2 3.07Å; H142-D145 IonicContact CG-OD2 3.69Å; H142-D145 PolarHBondContact O-N 3.02Å; H142-D145 VanDerWaalsContact O-N 3.15Å; D145-K147 HydrophobicContact CB-CG 4.48Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 3.16Å; D145-K147 IonicContact OD2-NZ 3.53Å
146E71.5Confident88Confident140 Ų14071.7 Ų71.765%0.65437%0.371SS*.  trans-78.617.3167.1-78.8-156.8-150.400113.7K86 E144 E148K86-E146 IonicContact NZ-OE2 2.74Å; K86-E146 PolarHBondContact NZ-OE2 3.04Å; E144-E146 PolarHBondContact O-N 3.44Å; E146-E148 PolarHBondContact O-N 3.03Å
147K84Confident87.4Confident136 Ų13672.6 Ų72.659%0.59138%0.375SS*.PPolyproline II helixtrans-71.8131.6-173.1-67.4-176.4-176.4115.10111.5D145D145-K147 HydrophobicContact CB-CG 4.48Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 3.16Å; D145-K147 IonicContact OD2-NZ 3.53Å
148E91.2Very high86.9Confident87 Ų8781 Ų8141%0.40741%0.405SS..PPolyproline II helixtrans-71.2134.5169.7-61.8-170.2159.900110.5L84 L85 K86 E146L84-E148 HydrophobicContact CD2-CB 4.24Å; L85-E148 CarbonylContact O-C 3.53Å; L85-E148 WeakPolarHBondContact O-CA 3.4Å; K86-E148 HydrophobicContact CB-CG 4.26Å; K86-E148 HydrophobicContact CG-CG 4.41Å; E146-E148 PolarHBondContact O-N 3.03Å
149C92.5Very high86.5Confident14 Ų1479.3 Ų79.310%0.09539%0.393CS..EExtended strand (participates in β ladder)trans-98.6116.8175.8-64.40000109.2L85 L95 F139 I141L85-C149 PolarHBondContact N-O 2.86Å; L85-C149 PolarHBondContact O-N 3.42Å; L95-C149 HydrophobicContact CD2-CB 4.15Å; F139-C149 HydrophobicContact CD1-CB 4.25Å; F139-C149 HydrophobicContact CD2-CB 4.27Å; F139-C149 HydrophobicContact CE1-CB 4.43Å; F139-C149 HydrophobicContact CE2-CB 4.46Å; F139-C149 HydrophobicContact CG-CB 4.16Å; I141-C149 WeakPolarHBondContact CD1-SG 3.36Å
150H94.3Very high86.2Confident86 Ų8681.8 Ų81.840%0.39841%0.412SS..EExtended strand (participates in β ladder)trans-88.6124.2173-176.2-110.4000110.4D81 L84 F139D81-H150 PolarHBondContact O-CE1 2.81Å; D81-H150 VanDerWaalsContact O-CE1 3.27Å; D81-H150 PolarHBondContact O-NE2 3.02Å; L84-H150 HydrophobicContact CD2-CB 3.64Å; F139-H150 WeakPolarHBondContact CZ-O 3.4Å
151T94.7Very high86.1Confident0 Ų078.4 Ų78.40%040%0.401CS..EExtended strand (participates in β ladder)trans-124137.3172.8-175.20000110G82 V83 L85 C97 W99 Q137 L172G82-T151 CarbonylContact C-O 3.57Å; G82-T151 WeakPolarHBondContact CA-O 3.23Å; V83-T151 PolarHBondContact N-O 3.43Å; V83-T151 PolarHBondContact O-N 2.94Å; L85-T151 HydrophobicContact CD1-CG2 3.98Å; L85-T151 HydrophobicContact CG-CG2 4.44Å; C97-T151 HydrophobicContact CB-CG2 4.2Å; W99-T151 HydrophobicContact CZ2-CG2 4.01Å; W99-T151 WeakPolarHBondContact CZ2-O 3.34Å; W99-T151 PolarHBondContact NE1-OG1 2.95Å; Q137-T151 PolarHBondContact OE1-OG1 3.22Å; T151-L172 HydrophobicContact CG2-CD2 4.3Å
152C93.6Very high86Confident43 Ų4378.7 Ų78.729%0.29140%0.402SS..  trans-145.8154.7178.861.70000110.1Y135Y135-C152 WeakPolarHBondContact CE1-O 3.47Å
153I91.6Very high86.2Confident11 Ų1174.9 Ų74.96%0.05639%0.389CS..  trans-75131.2169.7-56.6-177.7000107.9V79 W99 A155 Q157 I159 F162V79-I153 HydrophobicContact CG1-CD1 4.1Å; W99-I153 HydrophobicContact CB-CD1 3.91Å; W99-I153 HydrophobicContact CB-CG1 3.74Å; W99-I153 HydrophobicContact CD2-CD1 4.02Å; W99-I153 HydrophobicContact CD2-CG1 3.49Å; W99-I153 VanDerWaalsContact CD2-CG1 3.49Å; W99-I153 HydrophobicContact CE3-CD1 3.66Å; W99-I153 HydrophobicContact CE3-CG1 3.58Å; W99-I153 HydrophobicContact CG-CD1 4.17Å; W99-I153 HydrophobicContact CG-CG1 3.59Å; W99-I153 HydrophobicContact CZ3-CD1 4.42Å; W99-I153 HydrophobicContact CZ3-CG1 4.3Å; I153-A155 PolarHBondContact O-N 3.45Å; I153-Q157 HydrophobicContact CG2-CB 3.97Å; I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 VanDerWaalsContact CG2-OE1 3.27Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.44Å; I153-I159 HydrophobicContact CD1-CG2 4.37Å; I153-I159 HydrophobicContact CG2-CD1 4.43Å; I153-F162 HydrophobicContact CD1-CE1 4.49Å; I153-F162 HydrophobicContact CD1-CZ 3.94Å
154P89.8Confident86.8Confident37 Ų3776.4 Ų76.424%0.2440%0.397CS..  trans-53.6135.7173.1-30.539000112.8Y135 D156 Q157Y135-P154 HydrophobicContact CD1-CG 4.47Å; Y135-P154 HydrophobicContact CD2-CG 3.7Å; Y135-P154 HydrophobicContact CE1-CG 4.23Å; Y135-P154 HydrophobicContact CE2-CG 3.42Å; Y135-P154 VanDerWaalsContact CE2-CG 3.42Å; Y135-P154 HydrophobicContact CG-CG 4.22Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 3.09Å; P154-D156 VanDerWaalsContact O-N 3.12Å; P154-Q157 PolarHBondContact O-N 3.03Å; P154-Q157 VanDerWaalsContact O-N 3.1Å
155A83.1Confident87.4Confident96 Ų9672.9 Ų72.979%0.79338%0.384SS*.G310 helixtrans-63.2-20.6-173.200000114I153 Q157 R158I153-A155 PolarHBondContact O-N 3.45Å; A155-Q157 VanDerWaalsContact C-N 3.3Å; A155-Q157 PolarHBondContact O-N 3.44Å; A155-R158 PolarHBondContact O-N 2.98Å
156D84.1Confident88.3Confident128 Ų12876.5 Ų76.568%0.68441%0.41SS*.G310 helixtrans-68.1-24.8176.361.3-42.9000113.3P154 R158P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 3.09Å; P154-D156 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.3Å
157Q82.3Confident89.3Confident69 Ų6971.8 Ų71.832%0.32239%0.386SS..G310 helixtrans-74.8-16.1178.3-64-166-7.400113.7H134 I153 P154 A155 I159H134-Q157 PolarHBondContact O-NE2 2.92Å; H134-Q157 PolarHBondContact O-OE1 3.46Å; I153-Q157 HydrophobicContact CG2-CB 3.97Å; I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 VanDerWaalsContact CG2-OE1 3.27Å; P154-Q157 PolarHBondContact O-N 3.03Å; P154-Q157 VanDerWaalsContact O-N 3.1Å; A155-Q157 VanDerWaalsContact C-N 3.3Å; A155-Q157 PolarHBondContact O-N 3.44Å; Q157-I159 HydrophobicContact CB-CD1 4.2Å; Q157-I159 HydrophobicContact CB-CG1 4.17Å; Q157-I159 PolarHBondContact O-N 3.48Å; Q157-I159 VanDerWaalsContact O-N 3.08Å
158R83.6Confident89.8Confident224 Ų22472.9 Ų72.985%0.84539%0.391SS*.  trans50.630.8177.4-59.8-176.8178.5177.70.1115A155 D156A155-R158 PolarHBondContact O-N 2.98Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.3Å
159I88.4Confident90Very high41 Ų4171 Ų7121%0.2138%0.382CS..  trans-81.8119.2177-60174.2000108.8V79 H134 I153 Q157 F162V79-I159 WeakPolarHBondContact CG1-O 3.39Å; H134-I159 HydrophobicContact CB-CD1 3.62Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.44Å; I153-I159 HydrophobicContact CD1-CG2 4.37Å; I153-I159 HydrophobicContact CG2-CD1 4.43Å; Q157-I159 HydrophobicContact CB-CD1 4.2Å; Q157-I159 HydrophobicContact CB-CG1 4.17Å; Q157-I159 PolarHBondContact O-N 3.48Å; Q157-I159 VanDerWaalsContact O-N 3.08Å; I159-F162 HydrophobicContact CG2-CE1 4.23Å; I159-F162 HydrophobicContact CG2-CZ 4.4Å
160T87.9Confident90.2Very high96 Ų9672 Ų7259%0.58938%0.384SS*.  trans-109.8-20.4-179.855.20000113.6G201T160-G201 PolarHBondContact O-N 2.98Å; T160-G201 VanDerWaalsContact O-N 3.11Å
161D92.2Very high90.2Very high42 Ų4268 Ų6823%0.22537%0.366CS..  trans-158.6165.717972.484.4000111.9G163 D200 K202D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.46Å; D161-D200 HydrophobicContact CB-CB 4.34Å; D161-K202 HydrophobicContact CB-CB 4.33Å; D161-K202 HydrophobicContact CB-CD 4.16Å; D161-K202 HydrophobicContact CB-CG 4.04Å; D161-K202 WeakPolarHBondContact OD1-CD 3.06Å; D161-K202 VanDerWaalsContact OD1-CE 3.32Å; D161-K202 WeakPolarHBondContact OD1-CE 3.4Å; D161-K202 IonicContact OD1-NZ 2.71Å; D161-K202 PolarHBondContact OD1-NZ 3.45Å; D161-K202 WeakPolarHBondContact OD2-CE 3.18Å; D161-K202 IonicContact OD2-NZ 3.11Å; D161-K202 PolarHBondContact OD2-NZ 2.92Å
162F92.3Very high90.4Very high13 Ų1368 Ų686%0.05737%0.366CS..  trans-110.128.4178.3-56.8-88.2000114V79 W99 I153 I159 H169 P171 D200V79-F162 HydrophobicContact CG1-CE2 4.38Å; V79-F162 HydrophobicContact CG2-CD2 4.41Å; V79-F162 HydrophobicContact CG2-CE2 3.6Å; V79-F162 HydrophobicContact CG2-CZ 4.43Å; W99-F162 HydrophobicContact CE3-CZ 4.3Å; I153-F162 HydrophobicContact CD1-CE1 4.49Å; I153-F162 HydrophobicContact CD1-CZ 3.94Å; I159-F162 HydrophobicContact CG2-CE1 4.23Å; I159-F162 HydrophobicContact CG2-CZ 4.4Å; F162-H169 HydrophobicContact CB-CB 4.36Å; F162-H169 HydrophobicContact CD1-CB 4.11Å; F162-P171 HydrophobicContact CD2-CB 3.85Å; F162-P171 HydrophobicContact CD2-CG 3.81Å; F162-P171 VanDerWaalsContact CE2-CA 3.47Å; F162-P171 HydrophobicContact CE2-CB 3.53Å; F162-P171 HydrophobicContact CE2-CG 4.04Å; F162-P171 HydrophobicContact CZ-CB 4.17Å; F162-D200 PolarHBondContact N-OD2 3.31Å
163G89.6Confident90.6Very high16 Ų1666 Ų6617%0.16535%0.352CS..  trans84.6179.2176.600000115.2D161D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.46Å
164P90.3Very high90.9Very high90 Ų9065.5 Ų65.558%0.58435%0.35SS*.SBendtrans-75.3166.2-179.332.9-35.8000112.7P166 R167P164-P166 CarbonylContact O-C 3.59Å; P164-P166 VanDerWaalsContact O-C 3.31Å; P164-R167 WeakPolarHBondContact O-CA 3.2Å; P164-R167 PolarHBondContact O-N 2.91Å
165L87.7Confident91.2Very high112 Ų11263.9 Ų63.959%0.58634%0.339SS*.SBendtrans-76.4143.1169.3-71169.6000111.8R167 Y203L165-R167 HydrophobicContact CD2-CG 4.1Å; L165-Y203 HydrophobicContact CD1-CD1 4.13Å; L165-Y203 HydrophobicContact CD1-CE1 3.35Å; L165-Y203 HydrophobicContact CG-CD1 4.49Å; L165-Y203 HydrophobicContact CG-CE1 3.65Å; L165-Y203 HydrophobicContact CG-CE2 4.28Å; L165-Y203 WeakPolarHBondContact CG-OH 3.26Å; L165-Y203 PolarHBondContact N-OH 3.35Å
166P90.4Very high91.8Very high125 Ų12559.3 Ų59.381%0.81230%0.301SS*.SBendcis-68131.7-1028.4-33.3000111.3P164P164-P166 CarbonylContact O-C 3.59Å; P164-P166 VanDerWaalsContact O-C 3.31Å
167R91.7Very high92.4Very high41 Ų4153.2 Ų53.216%0.15527%0.269CS..PPolyproline II helixtrans-69.4142.5-175.1-76.1177.1-178.2-127.11111P164 L165 D200 Y203P164-R167 WeakPolarHBondContact O-CA 3.2Å; P164-R167 PolarHBondContact O-N 2.91Å; L165-R167 HydrophobicContact CD2-CG 4.1Å; R167-D200 IonicContact CZ-OD2 3.76Å; R167-D200 IonicContact NH1-OD2 3.39Å; R167-D200 PolarHBondContact NH1-OD2 2.96Å; R167-D200 VanDerWaalsContact NH2-CG 3.27Å; R167-D200 IonicContact NH2-OD1 3.63Å; R167-D200 PolarHBondContact NH2-OD1 3.19Å; R167-D200 VanDerWaalsContact NH2-OD1 3.16Å; R167-D200 IonicContact NH2-OD2 3.7Å; R167-D200 PolarHBondContact NH2-OD2 3.29Å; R167-Y203 VanDerWaalsContact NH2-CB 3.28Å
168K94.3Very high92.9Very high160 Ų16050 Ų5070%0.69625%0.253SS*.SBendtrans-87-20.4171.7-65.4-171.9178.2-175.20113.3V103V103-K168 WeakPolarHBondContact CG2-O 3.31Å; V103-K168 PolarHBondContact N-O 3.49Å
169H95.4Very high93.2Very high48 Ų4840.5 Ų40.522%0.22222%0.223CC..EExtended strand (participates in β ladder)trans-128.4135.6-178.7-56.989.5000110.5G100 C101 F162G100-H169 PolarHBondContact O-CD2 3.48Å; G100-H169 VanDerWaalsContact O-CD2 3.25Å; C101-H169 CarbonylContact O-C 3.58Å; C101-H169 VanDerWaalsContact O-CA 3.29Å; C101-H169 WeakPolarHBondContact O-CA 2.99Å; F162-H169 HydrophobicContact CB-CB 4.36Å; F162-H169 HydrophobicContact CD1-CB 4.11Å
170Y96.3Very high93.2Very high34 Ų3443.2 Ų43.213%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-76.2133166-69-55.6000109.4G100 C101 V103 L106 L172 V173 V195 F211G100-Y170 CarbonylContact C-O 3.31Å; G100-Y170 WeakPolarHBondContact CA-O 3.4Å; G100-Y170 PolarHBondContact N-O 2.89Å; C101-Y170 PolarHBondContact N-O 3.43Å; C101-Y170 VanDerWaalsContact N-O 3.13Å; C101-Y170 PolarHBondContact O-N 2.89Å; V103-Y170 HydrophobicContact CB-CD2 4.39Å; V103-Y170 HydrophobicContact CB-CE2 3.97Å; V103-Y170 HydrophobicContact CG1-CE2 3.79Å; V103-Y170 HydrophobicContact CG2-CD1 4.16Å; V103-Y170 HydrophobicContact CG2-CD2 3.79Å; V103-Y170 HydrophobicContact CG2-CE1 4.01Å; V103-Y170 HydrophobicContact CG2-CE2 3.64Å; V103-Y170 HydrophobicContact CG2-CG 4.05Å; L106-Y170 HydrophobicContact CD2-CD2 3.9Å; L106-Y170 HydrophobicContact CD2-CE2 3.88Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 2.91Å; Y170-V173 HydrophobicContact CD2-CG2 4.27Å; Y170-V173 HydrophobicContact CG-CG2 4.46Å; Y170-V195 HydrophobicContact CD1-CG1 3.41Å; Y170-V195 VanDerWaalsContact CD1-CG1 3.41Å; Y170-V195 HydrophobicContact CD2-CG1 3.9Å; Y170-V195 HydrophobicContact CE1-CG1 3.74Å; Y170-V195 HydrophobicContact CE2-CG1 4.18Å; Y170-V195 HydrophobicContact CG-CG1 3.51Å; Y170-F211 HydrophobicContact CE1-CE2 4.4Å
171P95.8Very high92.8Very high3 Ų342.9 Ų42.92%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-54.4-48.2178.2-29.336.8000112.8W99 G100 F162 V198W99-P171 WeakPolarHBondContact CA-O 3.29Å; G100-P171 PolarHBondContact N-O 3.43Å; F162-P171 HydrophobicContact CD2-CB 3.85Å; F162-P171 HydrophobicContact CD2-CG 3.81Å; F162-P171 VanDerWaalsContact CE2-CA 3.47Å; F162-P171 HydrophobicContact CE2-CB 3.53Å; F162-P171 HydrophobicContact CE2-CG 4.04Å; F162-P171 HydrophobicContact CZ-CB 4.17Å; P171-V198 HydrophobicContact CB-CB 3.86Å; P171-V198 HydrophobicContact CB-CG2 4.06Å
172L97.3Very high92.2Very high0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-143.6133.5-179.617761.4000110.6V83 L85 C97 F98 W99 T151 Y170 I196 V198V83-L172 HydrophobicContact CB-CD2 4.46Å; L85-L172 HydrophobicContact CD1-CD2 4.43Å; L85-L172 HydrophobicContact CD2-CD2 4.46Å; C97-L172 HydrophobicContact CB-CD1 4.03Å; F98-L172 WeakPolarHBondContact O-CA 3.34Å; W99-L172 HydrophobicContact CD2-CD1 4.1Å; W99-L172 HydrophobicContact CE3-CB 4.4Å; W99-L172 HydrophobicContact CG-CD1 4.23Å; W99-L172 HydrophobicContact CZ2-CD1 4.41Å; W99-L172 HydrophobicContact CZ2-CD2 4.31Å; T151-L172 HydrophobicContact CG2-CD2 4.3Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 2.91Å; L172-I196 HydrophobicContact CB-CB 4.2Å; L172-I196 HydrophobicContact CD2-CB 4.28Å; L172-I196 HydrophobicContact CD2-CD1 4.02Å; L172-I196 HydrophobicContact CD2-CG2 4.4Å; L172-I196 HydrophobicContact CG-CB 4.32Å; L172-I196 HydrophobicContact CG-CD1 4.41Å; L172-I196 PolarHBondContact N-O 3.42Å; L172-I196 PolarHBondContact O-N 2.77Å; L172-V198 HydrophobicContact CB-CG2 3.81Å; L172-V198 HydrophobicContact CD2-CG2 4.27Å
173V98Very high91.4Very high1 Ų147.2 Ų47.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-121.6117.3167.6-179.50000107.5F98 C101 L106 Y170 V175 V193 I194 V195F98-V173 HydrophobicContact CB-CB 4.42Å; F98-V173 PolarHBondContact N-O 2.99Å; F98-V173 PolarHBondContact O-N 3.15Å; C101-V173 HydrophobicContact CB-CB 4.26Å; C101-V173 HydrophobicContact CB-CG2 3.68Å; L106-V173 HydrophobicContact CD1-CG1 4.15Å; L106-V173 HydrophobicContact CD2-CG1 4.23Å; L106-V173 HydrophobicContact CD2-CG2 4Å; Y170-V173 HydrophobicContact CD2-CG2 4.27Å; Y170-V173 HydrophobicContact CG-CG2 4.46Å; V173-V175 HydrophobicContact CG1-CG2 4.23Å; V173-V193 HydrophobicContact CG1-CG1 4.01Å; V173-I194 CarbonylContact C-O 3.43Å; V173-I194 WeakPolarHBondContact CA-O 3.22Å; V173-V195 HydrophobicContact CG2-CG2 4.49Å
174A97.8Very high90.8Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-101.1132.4175.900000109.5L70 L85 L95 S96 I194 I196L70-A174 HydrophobicContact CD2-CB 3.68Å; L85-A174 HydrophobicContact CD1-CB 4.42Å; L95-A174 HydrophobicContact CD1-CB 4.01Å; S96-A174 CarbonylContact O-C 3.51Å; S96-A174 WeakPolarHBondContact O-CA 3.49Å; A174-I194 HydrophobicContact CB-CB 4.41Å; A174-I194 PolarHBondContact N-O 3.49Å; A174-I194 PolarHBondContact O-N 3.3Å; A174-I196 HydrophobicContact CB-CD1 4.16Å
175V97.5Very high90.2Very high2 Ų250.8 Ų50.81%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-124.9121.1179.1-176.50000109S96 F98 F125 V173 T177 N192 V193S96-V175 PolarHBondContact N-O 3.27Å; S96-V175 PolarHBondContact O-N 2.9Å; F98-V175 HydrophobicContact CD2-CG2 4.17Å; F98-V175 HydrophobicContact CE2-CB 4.33Å; F98-V175 HydrophobicContact CE2-CG2 3.93Å; F125-V175 HydrophobicContact CD1-CG1 4.15Å; F125-V175 HydrophobicContact CD1-CG2 4.26Å; F125-V175 HydrophobicContact CD2-CG1 3.77Å; F125-V175 HydrophobicContact CE1-CG1 3.97Å; F125-V175 HydrophobicContact CE1-CG2 4.29Å; F125-V175 HydrophobicContact CE2-CG1 3.56Å; F125-V175 HydrophobicContact CG-CG1 4.04Å; F125-V175 HydrophobicContact CZ-CG1 3.66Å; V173-V175 HydrophobicContact CG1-CG2 4.23Å; V175-T177 HydrophobicContact CG1-CG2 4.17Å; V175-N192 WeakPolarHBondContact CA-O 3.26Å; V175-V193 HydrophobicContact CG1-CG2 4.22Å; V175-V193 HydrophobicContact CG2-CG1 4.3Å; V175-V193 HydrophobicContact CG2-CG2 4.27Å
176L96.3Very high90.2Very high0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-100.4131.3171-74164.3000109.6F68 L70 C93 V94 L95 A191 N192F68-L176 HydrophobicContact CB-CB 4.24Å; F68-L176 HydrophobicContact CB-CD1 4.04Å; F68-L176 HydrophobicContact CD1-CB 3.73Å; F68-L176 HydrophobicContact CE1-CB 4.28Å; F68-L176 HydrophobicContact CG-CB 4.08Å; L70-L176 HydrophobicContact CB-CD1 4Å; L70-L176 HydrophobicContact CD1-CD1 4.4Å; C93-L176 HydrophobicContact CB-CD2 4.26Å; V94-L176 WeakPolarHBondContact O-CA 3.29Å; L95-L176 HydrophobicContact CB-CD2 3.76Å; L95-L176 HydrophobicContact CD1-CD2 3.91Å; L95-L176 HydrophobicContact CD1-CG 4.04Å; L95-L176 HydrophobicContact CG-CD2 4.39Å; L176-A191 CarbonylContact O-C 3.58Å; L176-A191 VanDerWaalsContact O-CA 3.23Å; L176-A191 WeakPolarHBondContact O-CA 3.48Å; L176-N192 HydrophobicContact CB-CB 4.31Å; L176-N192 PolarHBondContact N-O 3.32Å; L176-N192 PolarHBondContact O-N 2.87Å
177T95.3Very high90.1Very high0 Ų047.6 Ų47.60%023%0.233CC..EExtended strand (participates in β ladder)trans-136.3150.4172.855.10000109.8C93 V94 P122 F125 V175 A179 A191C93-T177 CarbonylContact C-O 3.57Å; C93-T177 WeakPolarHBondContact CA-O 3.35Å; V94-T177 PolarHBondContact N-O 3.47Å; V94-T177 PolarHBondContact O-N 3.36Å; V94-T177 VanDerWaalsContact O-N 3.12Å; P122-T177 VanDerWaalsContact CD-OG1 3.25Å; P122-T177 WeakPolarHBondContact CD-OG1 3.39Å; P122-T177 VanDerWaalsContact CG-OG1 3.3Å; P122-T177 WeakPolarHBondContact CG-OG1 3.48Å; F125-T177 HydrophobicContact CD2-CG2 4.21Å; F125-T177 HydrophobicContact CE2-CG2 4.02Å; V175-T177 HydrophobicContact CG1-CG2 4.17Å; T177-A179 PolarHBondContact O-N 3.46Å; T177-A191 HydrophobicContact CG2-CB 3.9Å
178L93.4Very high90.1Very high1 Ų147.3 Ų47.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-62.9131.3175.5-68.2168.6000110.7P67 F68 E91 A183 R184 Y187P67-L178 HydrophobicContact CB-CD2 4.34Å; P67-L178 HydrophobicContact CG-CD2 4.41Å; F68-L178 HydrophobicContact CE1-CD2 4.04Å; F68-L178 HydrophobicContact CE1-CG 4.03Å; F68-L178 HydrophobicContact CZ-CD2 4.23Å; F68-L178 HydrophobicContact CZ-CG 3.8Å; E91-L178 HydrophobicContact CB-CD2 3.63Å; E91-L178 HydrophobicContact CG-CD2 4.08Å; L178-A183 HydrophobicContact CD1-CB 4.2Å; L178-A183 HydrophobicContact CD2-CB 4.3Å; L178-R184 HydrophobicContact CB-CG 3.89Å; L178-R184 HydrophobicContact CD1-CB 4.43Å; L178-R184 HydrophobicContact CD1-CG 3.98Å; L178-R184 PolarHBondContact O-NE 3.49Å; L178-R184 PolarHBondContact O-NH2 3.3Å; L178-Y187 HydrophobicContact CD1-CD2 4.05Å
179A90.8Very high90.1Very high26 Ų2640.1 Ų40.122%0.21520%0.204CC..SBendtrans-70-44.6179.800000111.4P92 V94 Y140 T177P92-A179 HydrophobicContact CB-CB 4.27Å; P92-A179 WeakPolarHBondContact O-CB 3.34Å; P92-A179 PolarHBondContact O-N 2.9Å; V94-A179 HydrophobicContact CG2-CB 3.98Å; Y140-A179 HydrophobicContact CD2-CB 4.45Å; Y140-A179 HydrophobicContact CE2-CB 3.56Å; T177-A179 PolarHBondContact O-N 3.46Å
180E86.8Confident89.9Confident97 Ų9738 Ų3845%0.45319%0.194SC..SBendtrans-95.4142.9-173.9-61.8-178-172.200112.1R184E180-R184 WeakPolarHBondContact O-CG 3.38Å
181T79.6Confident89.9Confident89 Ų8936.4 Ų36.455%0.54619%0.188SC..THydrogen-bonded Turntrans-71.7-33.2-178.9-51.10000112.4R184T181-R184 WeakPolarHBondContact O-CB 3.38Å; T181-R184 PolarHBondContact O-N 2.75Å; T181-R184 VanDerWaalsContact O-N 3.15Å
182E79.8Confident89.9Confident140 Ų14036.3 Ų36.365%0.65419%0.187SC*.THydrogen-bonded Turntrans-65-43.1-179.2-58.9-53144.100111.6R184 N185E182-R184 PolarHBondContact O-N 2.9Å; E182-N185 PolarHBondContact O-N 2.9Å; E182-N185 VanDerWaalsContact O-N 3.15Å
183A75.6Confident89.9Confident6 Ų636.3 Ų36.35%0.0519%0.187CC..G310 helixtrans-59.7-30.5174.900000112.2E91 L178 N185 L186 Y187E91-A183 HydrophobicContact CG-CB 4.36Å; L178-A183 HydrophobicContact CD1-CB 4.2Å; L178-A183 HydrophobicContact CD2-CB 4.3Å; A183-N185 PolarHBondContact O-N 3.26Å; A183-N185 VanDerWaalsContact O-N 3.15Å; A183-L186 WeakPolarHBondContact O-CB 3.43Å; A183-L186 PolarHBondContact O-N 2.8Å; A183-Y187 WeakPolarHBondContact O-CD2 3.3Å
184R76.6Confident89.9Confident52 Ų5236.2 Ų36.220%0.19619%0.187CC..G310 helixtrans-64.3-20.2179.8-64.7174.7-174.4169.93113.6T120 L178 E180 T181 E182T120-R184 VanDerWaalsContact O-CZ 3.32Å; T120-R184 PolarHBondContact O-NE 3.46Å; L178-R184 HydrophobicContact CB-CG 3.89Å; L178-R184 HydrophobicContact CD1-CB 4.43Å; L178-R184 HydrophobicContact CD1-CG 3.98Å; L178-R184 PolarHBondContact O-NE 3.49Å; L178-R184 PolarHBondContact O-NH2 3.3Å; E180-R184 WeakPolarHBondContact O-CG 3.38Å; T181-R184 WeakPolarHBondContact O-CB 3.38Å; T181-R184 PolarHBondContact O-N 2.75Å; T181-R184 VanDerWaalsContact O-N 3.15Å; E182-R184 PolarHBondContact O-N 2.9Å
185N79.3Confident89.9Confident130 Ų13036.2 Ų36.270%0.69519%0.187SC*.G310 helixtrans-85.9-15176.8-62.8-34.5000112.7E182 A183E182-N185 PolarHBondContact O-N 2.9Å; E182-N185 VanDerWaalsContact O-N 3.15Å; A183-N185 PolarHBondContact O-N 3.26Å; A183-N185 VanDerWaalsContact O-N 3.15Å
186L86Confident89.9Confident129 Ų12936.2 Ų36.268%0.67519%0.186SC*.THydrogen-bonded Turntrans-86.4-28.6-178.2-62.2174000112.7A183A183-L186 WeakPolarHBondContact O-CB 3.43Å; A183-L186 PolarHBondContact O-N 2.8Å
187Y89.6Confident89.8Confident41 Ų4137.1 Ų37.116%0.16119%0.191CC..  trans-114.6137.2-174-59-84.9000111.5T65 P67 E91 L178 A183 I189T65-Y187 HydrophobicContact CG2-CD1 4.29Å; T65-Y187 HydrophobicContact CG2-CE1 3.89Å; P67-Y187 HydrophobicContact CB-CD1 3.99Å; P67-Y187 HydrophobicContact CB-CD2 4.35Å; P67-Y187 HydrophobicContact CB-CE1 3.97Å; P67-Y187 HydrophobicContact CB-CE2 4.38Å; P67-Y187 HydrophobicContact CB-CG 4.18Å; P67-Y187 HydrophobicContact CG-CD1 3.99Å; P67-Y187 HydrophobicContact CG-CD2 4.38Å; P67-Y187 HydrophobicContact CG-CE1 4.48Å; P67-Y187 HydrophobicContact CG-CG 3.93Å; E91-Y187 HydrophobicContact CG-CD2 4.48Å; E91-Y187 HydrophobicContact CG-CE2 3.49Å; E91-Y187 VanDerWaalsContact CG-CE2 3.49Å; E91-Y187 PolarHBondContact OE1-OH 3.07Å; L178-Y187 HydrophobicContact CD1-CD2 4.05Å; A183-Y187 WeakPolarHBondContact O-CD2 3.3Å; Y187-I189 VanDerWaalsContact C-N 3.35Å
188N91.1Very high89.9Confident35 Ų3537.1 Ų37.119%0.18719%0.191CC..SBendtrans-72.5-32.6170.4-171.922.3000111.4V190 T216 S217N188-V190 PolarHBondContact O-N 3.44Å; N188-T216 CarbonylContact O-C 3.56Å; N188-T216 WeakPolarHBondContact O-CA 3.16Å; N188-S217 PolarHBondContact O-N 2.98Å; N188-S217 PolarHBondContact OD1-OG 3.38Å
189I93.3Very high89.9Confident9 Ų937.9 Ų37.95%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-80.9117.9177.8-61.9166.6000108.8N66 F68 Y187 L214 L215N66-I189 HydrophobicContact CB-CD1 3.79Å; F68-I189 HydrophobicContact CD2-CG2 3.95Å; F68-I189 HydrophobicContact CE2-CG2 3.93Å; Y187-I189 VanDerWaalsContact C-N 3.35Å; I189-L214 HydrophobicContact CD1-CD1 4.09Å; I189-L214 HydrophobicContact CG2-CB 4.33Å; I189-L214 HydrophobicContact CG2-CD2 4.15Å; I189-L215 CarbonylContact C-O 3.57Å; I189-L215 WeakPolarHBondContact CA-O 3.43Å
190V93.2Very high90Very high4 Ų437.3 Ų37.32%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-103.6-25.1-173.7-62.90000113.7T120 N188 L215T120-V190 HydrophobicContact CG2-CB 4.04Å; T120-V190 HydrophobicContact CG2-CG1 4.13Å; T120-V190 HydrophobicContact CG2-CG2 4.13Å; N188-V190 PolarHBondContact O-N 3.44Å; V190-L215 HydrophobicContact CG2-CB 4.18Å; V190-L215 WeakPolarHBondContact CG2-O 3.18Å; V190-L215 PolarHBondContact N-O 3.5Å
191A95.1Very high90.1Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-150.8151.7176.400000112.1F125 L176 T177 L215F125-A191 HydrophobicContact CE2-CB 3.8Å; F125-A191 HydrophobicContact CZ-CB 4.01Å; L176-A191 CarbonylContact O-C 3.58Å; L176-A191 VanDerWaalsContact O-CA 3.23Å; L176-A191 WeakPolarHBondContact O-CA 3.48Å; T177-A191 HydrophobicContact CG2-CB 3.9Å; A191-L215 HydrophobicContact CB-CB 4.09Å; A191-L215 HydrophobicContact CB-CD1 4.19Å; A191-L215 HydrophobicContact CB-CG 4.26Å; A191-L215 PolarHBondContact N-O 3.28Å; A191-L215 PolarHBondContact O-N 3.19Å
192N96.3Very high90.6Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-122.9113.3172.1-178.810.6000109.1F68 V175 L176 I194 Q212 Y213 L214F68-N192 HydrophobicContact CB-CB 3.64Å; F68-N192 HydrophobicContact CD2-CB 3.73Å; F68-N192 HydrophobicContact CG-CB 3.89Å; V175-N192 WeakPolarHBondContact CA-O 3.26Å; L176-N192 HydrophobicContact CB-CB 4.31Å; L176-N192 PolarHBondContact N-O 3.32Å; L176-N192 PolarHBondContact O-N 2.87Å; N192-I194 WeakPolarHBondContact OD1-CG1 3.15Å; N192-Q212 PolarHBondContact ND2-NE2 3.11Å; N192-Q212 VanDerWaalsContact OD1-CG 3.31Å; N192-Q212 WeakPolarHBondContact OD1-CG 3.28Å; N192-Q212 PolarHBondContact OD1-NE2 2.85Å; N192-Y213 WeakPolarHBondContact CA-O 3.36Å; N192-L214 HydrophobicContact CB-CD2 3.93Å
193V97.3Very high91.1Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-105.4120.6-177.1-1800000109.1L106 L110 F125 V173 V175 Q212 Y213 L215L106-V193 HydrophobicContact CD1-CG1 4.14Å; L110-V193 HydrophobicContact CD2-CG2 4.33Å; F125-V193 HydrophobicContact CE1-CG2 3.69Å; F125-V193 HydrophobicContact CZ-CG2 3.61Å; V173-V193 HydrophobicContact CG1-CG1 4.01Å; V175-V193 HydrophobicContact CG1-CG2 4.22Å; V175-V193 HydrophobicContact CG2-CG1 4.3Å; V175-V193 HydrophobicContact CG2-CG2 4.27Å; V193-Q212 CarbonylContact O-C 3.56Å; V193-Q212 WeakPolarHBondContact O-CA 3.49Å; V193-Y213 PolarHBondContact N-O 2.89Å; V193-Y213 PolarHBondContact O-N 2.85Å; V193-L215 HydrophobicContact CG2-CD1 4.23Å; V193-L215 HydrophobicContact CG2-CG 4.35Å
194I97.8Very high91.8Very high0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-124.9117.8-170.2-54.9171.2000108.5L70 V173 A174 N192 I196 I209 F211 Q212L70-I194 HydrophobicContact CB-CD1 3.4Å; L70-I194 HydrophobicContact CD2-CD1 3.55Å; L70-I194 HydrophobicContact CG-CD1 4.09Å; V173-I194 CarbonylContact C-O 3.43Å; V173-I194 WeakPolarHBondContact CA-O 3.22Å; A174-I194 HydrophobicContact CB-CB 4.41Å; A174-I194 PolarHBondContact N-O 3.49Å; A174-I194 PolarHBondContact O-N 3.3Å; N192-I194 WeakPolarHBondContact OD1-CG1 3.15Å; I194-I196 HydrophobicContact CG2-CD1 4.17Å; I194-I196 HydrophobicContact CG2-CG1 3.79Å; I194-I209 HydrophobicContact CG2-CB 4.4Å; I194-I209 HydrophobicContact CG2-CD1 4.12Å; I194-I209 HydrophobicContact CG2-CG1 3.93Å; I194-I209 HydrophobicContact CG2-CG2 3.7Å; I194-F211 WeakPolarHBondContact CA-O 3.12Å; I194-Q212 HydrophobicContact CG1-CG 4.09Å
195V97.6Very high92.5Very high0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-93.6120.2176.5-176.10000108.3L106 Y170 V173 L210 F211 Y213L106-V195 HydrophobicContact CD2-CG2 3.69Å; Y170-V195 HydrophobicContact CD1-CG1 3.41Å; Y170-V195 VanDerWaalsContact CD1-CG1 3.41Å; Y170-V195 HydrophobicContact CD2-CG1 3.9Å; Y170-V195 HydrophobicContact CE1-CG1 3.74Å; Y170-V195 HydrophobicContact CE2-CG1 4.18Å; Y170-V195 HydrophobicContact CG-CG1 3.51Å; V173-V195 HydrophobicContact CG2-CG2 4.49Å; V195-L210 HydrophobicContact CG1-CB 4.39Å; V195-L210 HydrophobicContact CG1-CD1 4.27Å; V195-L210 PolarHBondContact O-N 2.76Å; V195-F211 HydrophobicContact CB-CB 4.15Å; V195-F211 HydrophobicContact CB-CD2 4Å; V195-F211 HydrophobicContact CG1-CD2 4.16Å; V195-F211 HydrophobicContact CG2-CB 4.22Å; V195-F211 HydrophobicContact CG2-CD2 4.27Å; V195-F211 PolarHBondContact N-O 2.78Å; V195-F211 PolarHBondContact O-N 2.82Å; V195-Y213 HydrophobicContact CG2-CE2 4.36Å
196I97Very high93.2Very high1 Ų140.3 Ų40.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-116.7126.6-173-57.6173.9000109L70 L72 L85 L172 A174 I194 V198 I209L70-I196 HydrophobicContact CD2-CD1 4.39Å; L72-I196 HydrophobicContact CD2-CD1 4.16Å; L72-I196 HydrophobicContact CD2-CG2 3.85Å; L85-I196 HydrophobicContact CD2-CD1 3.72Å; L172-I196 HydrophobicContact CB-CB 4.2Å; L172-I196 HydrophobicContact CD2-CB 4.28Å; L172-I196 HydrophobicContact CD2-CD1 4.02Å; L172-I196 HydrophobicContact CD2-CG2 4.4Å; L172-I196 HydrophobicContact CG-CB 4.32Å; L172-I196 HydrophobicContact CG-CD1 4.41Å; L172-I196 PolarHBondContact N-O 3.42Å; L172-I196 PolarHBondContact O-N 2.77Å; A174-I196 HydrophobicContact CB-CD1 4.16Å; I194-I196 HydrophobicContact CG2-CD1 4.17Å; I194-I196 HydrophobicContact CG2-CG1 3.79Å; I196-V198 HydrophobicContact CG2-CG2 4.18Å; I196-I209 HydrophobicContact CG1-CG1 4.37Å
197H95.6Very high93.6Very high19 Ų1935.4 Ų35.49%0.08820%0.203CC..EExtended strand (participates in β ladder)trans-76.6131.3163.5176.953000109.2L205 A207 R208 L210H197-L205 PolarHBondContact CD2-O 3.29Å; H197-L205 VanDerWaalsContact CD2-O 3.31Å; H197-L205 PolarHBondContact NE2-O 3.36Å; H197-A207 WeakPolarHBondContact O-CA 3.22Å; H197-A207 WeakPolarHBondContact O-CB 3.36Å; H197-R208 HydrophobicContact CB-CG 4.11Å; H197-R208 PolarHBondContact N-O 2.91Å; H197-R208 PolarHBondContact O-N 2.77Å; H197-L210 HydrophobicContact CB-CD1 4.01Å; H197-L210 HydrophobicContact CB-CD2 3.96Å; H197-L210 HydrophobicContact CB-CG 3.93Å
198V95.6Very high93.9Very high0 Ų038.9 Ų38.90%022%0.216CC..  trans-119.5133.2172.4-175.50000108.1V79 V83 W99 P171 L172 I196 D200V79-V198 HydrophobicContact CG2-CG1 4.24Å; V83-V198 HydrophobicContact CG2-CB 4.2Å; V83-V198 HydrophobicContact CG2-CG1 3.5Å; V83-V198 VanDerWaalsContact CG2-CG1 3.5Å; V83-V198 HydrophobicContact CG2-CG2 3.65Å; W99-V198 HydrophobicContact CH2-CG1 4.1Å; W99-V198 HydrophobicContact CH2-CG2 4.12Å; W99-V198 HydrophobicContact CZ3-CB 4.23Å; W99-V198 HydrophobicContact CZ3-CG1 4.1Å; W99-V198 HydrophobicContact CZ3-CG2 4.04Å; P171-V198 HydrophobicContact CB-CB 3.86Å; P171-V198 HydrophobicContact CB-CG2 4.06Å; L172-V198 HydrophobicContact CB-CG2 3.81Å; L172-V198 HydrophobicContact CD2-CG2 4.27Å; I196-V198 HydrophobicContact CG2-CG2 4.18Å; V198-D200 PolarHBondContact O-N 2.84Å
199P94.3Very high94.1Very high17 Ų1740.1 Ų40.111%0.1122%0.223CC..  trans-58.2134.6176.6-21.629.5000111.9A77 C78 V79 Y203 L205A77-P199 WeakPolarHBondContact O-CD 3.37Å; A77-P199 WeakPolarHBondContact O-CG 3.2Å; C78-P199 CarbonylContact C-O 3.53Å; C78-P199 WeakPolarHBondContact CA-O 3.44Å; V79-P199 WeakPolarHBondContact CG2-O 3.17Å; V79-P199 PolarHBondContact N-O 2.74Å; P199-Y203 WeakPolarHBondContact CA-O 3.32Å; P199-L205 VanDerWaalsContact CG-O 3.3Å; P199-L205 WeakPolarHBondContact CG-O 3.44Å
200D93.1Very high94.1Very high14 Ų1443.1 Ų43.18%0.07524%0.238CC..  trans-134.4179.9177.872.621.2000112.2V79 D161 F162 R167 V198 K202 Y203V79-D200 HydrophobicContact CB-CB 4.34Å; V79-D200 HydrophobicContact CG2-CB 3.54Å; D161-D200 HydrophobicContact CB-CB 4.34Å; F162-D200 PolarHBondContact N-OD2 3.31Å; R167-D200 IonicContact CZ-OD2 3.76Å; R167-D200 IonicContact NH1-OD2 3.39Å; R167-D200 PolarHBondContact NH1-OD2 2.96Å; R167-D200 VanDerWaalsContact NH2-CG 3.27Å; R167-D200 IonicContact NH2-OD1 3.63Å; R167-D200 PolarHBondContact NH2-OD1 3.19Å; R167-D200 VanDerWaalsContact NH2-OD1 3.16Å; R167-D200 IonicContact NH2-OD2 3.7Å; R167-D200 PolarHBondContact NH2-OD2 3.29Å; V198-D200 PolarHBondContact O-N 2.84Å; D200-K202 PolarHBondContact O-N 3.03Å; D200-K202 VanDerWaalsContact O-N 3.15Å; D200-K202 PolarHBondContact OD1-N 3.11Å; D200-Y203 PolarHBondContact N-O 2.82Å; D200-Y203 CarbonylContact O-C 3.48Å; D200-Y203 PolarHBondContact O-N 3.32Å; D200-Y203 PolarHBondContact OD1-N 3.08Å
201G89.1Confident94.3Very high72 Ų7246.1 Ų46.174%0.74225%0.251SS*.SBendtrans-63.2-19.6-175.600000114.9T160T160-G201 PolarHBondContact O-N 2.98Å; T160-G201 VanDerWaalsContact O-N 3.11Å
202K89.7Confident94.3Very high114 Ų11447.8 Ų47.850%0.49626%0.259SS..SBendtrans-100.4-33.4178.2-75-177.5-177.5149.30112.8D161 D200D161-K202 HydrophobicContact CB-CB 4.33Å; D161-K202 HydrophobicContact CB-CD 4.16Å; D161-K202 HydrophobicContact CB-CG 4.04Å; D161-K202 WeakPolarHBondContact OD1-CD 3.06Å; D161-K202 VanDerWaalsContact OD1-CE 3.32Å; D161-K202 WeakPolarHBondContact OD1-CE 3.4Å; D161-K202 IonicContact OD1-NZ 2.71Å; D161-K202 PolarHBondContact OD1-NZ 3.45Å; D161-K202 WeakPolarHBondContact OD2-CE 3.18Å; D161-K202 IonicContact OD2-NZ 3.11Å; D161-K202 PolarHBondContact OD2-NZ 2.92Å; D200-K202 PolarHBondContact O-N 3.03Å; D200-K202 VanDerWaalsContact O-N 3.15Å; D200-K202 PolarHBondContact OD1-N 3.11Å
203Y90.1Very high94.3Very high69 Ų6948.8 Ų48.827%0.27126%0.263SS..  trans-134.8109.3-177.9-56.9-93.2000109.7L165 R167 P199 D200L165-Y203 HydrophobicContact CD1-CD1 4.13Å; L165-Y203 HydrophobicContact CD1-CE1 3.35Å; L165-Y203 HydrophobicContact CG-CD1 4.49Å; L165-Y203 HydrophobicContact CG-CE1 3.65Å; L165-Y203 HydrophobicContact CG-CE2 4.28Å; L165-Y203 WeakPolarHBondContact CG-OH 3.26Å; L165-Y203 PolarHBondContact N-OH 3.35Å; R167-Y203 VanDerWaalsContact NH2-CB 3.28Å; P199-Y203 WeakPolarHBondContact CA-O 3.32Å; D200-Y203 PolarHBondContact N-O 2.82Å; D200-Y203 CarbonylContact O-C 3.48Å; D200-Y203 PolarHBondContact O-N 3.32Å; D200-Y203 PolarHBondContact OD1-N 3.08Å
204N90.9Very high94.2Very high138 Ų13849.6 Ų49.674%0.73827%0.267SS*.  trans-101.919.3-171.566-7.4000113.7
205L91.6Very high94.1Very high98 Ų9849.6 Ų49.651%0.51327%0.267SS..PPolyproline II helixtrans-65.2136.8177-69178.5000109.7H197 P199 A207H197-L205 PolarHBondContact CD2-O 3.29Å; H197-L205 VanDerWaalsContact CD2-O 3.31Å; H197-L205 PolarHBondContact NE2-O 3.36Å; P199-L205 VanDerWaalsContact CG-O 3.3Å; P199-L205 WeakPolarHBondContact CG-O 3.44Å; L205-A207 PolarHBondContact O-N 3.42Å
206S92.7Very high93.8Very high86 Ų8649.9 Ų49.960%0.60127%0.269SS*.PPolyproline II helixtrans-49.2141-179.5-48.80000112.4R208S206-R208 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-NE 2.83Å; S206-R208 VanDerWaalsContact O-NE 3.11Å
207A95.1Very high93.4Very high26 Ų2651.5 Ų51.522%0.21528%0.28CS..PPolyproline II helixtrans-53.1136.7179.200000111L72 A77 H197 L205L72-A207 HydrophobicContact CD1-CB 4.23Å; A77-A207 HydrophobicContact CB-CB 3.52Å; H197-A207 WeakPolarHBondContact O-CA 3.22Å; H197-A207 WeakPolarHBondContact O-CB 3.36Å; L205-A207 PolarHBondContact O-N 3.42Å
208R94.6Very high93.1Very high114 Ų11456.2 Ų56.243%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-158150.4-177.266.2-171.172.7178.5-2111H197 S206 L210H197-R208 HydrophobicContact CB-CG 4.11Å; H197-R208 PolarHBondContact N-O 2.91Å; H197-R208 PolarHBondContact O-N 2.77Å; S206-R208 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-NE 2.83Å; S206-R208 VanDerWaalsContact O-NE 3.11Å; R208-L210 HydrophobicContact CG-CD2 4.05Å; R208-L210 PolarHBondContact O-N 3.48Å
209I95.6Very high92.7Very high62 Ų6256.6 Ų56.632%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-72.1123.4168.7-61.9170.8000107.8I194 I196 Q212I194-I209 HydrophobicContact CG2-CB 4.4Å; I194-I209 HydrophobicContact CG2-CD1 4.12Å; I194-I209 HydrophobicContact CG2-CG1 3.93Å; I194-I209 HydrophobicContact CG2-CG2 3.7Å; I196-I209 HydrophobicContact CG1-CG1 4.37Å; I209-Q212 HydrophobicContact CG2-CB 4.46Å
210L94.8Very high92.5Very high71 Ų7162.2 Ų62.237%0.37233%0.326SS..EExtended strand (participates in β ladder)trans-88.1-47.9176.7-62.9-179.9000110.7V195 H197 R208V195-L210 HydrophobicContact CG1-CB 4.39Å; V195-L210 HydrophobicContact CG1-CD1 4.27Å; V195-L210 PolarHBondContact O-N 2.76Å; H197-L210 HydrophobicContact CB-CD1 4.01Å; H197-L210 HydrophobicContact CB-CD2 3.96Å; H197-L210 HydrophobicContact CB-CG 3.93Å; R208-L210 HydrophobicContact CG-CD2 4.05Å; R208-L210 PolarHBondContact O-N 3.48Å
211F95.8Very high92.5Very high68 Ų6864 Ų6430%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-142.6147-176.6-50.3-68.8000109.7Y170 I194 V195 Y213 E223Y170-F211 HydrophobicContact CE1-CE2 4.4Å; I194-F211 WeakPolarHBondContact CA-O 3.12Å; V195-F211 HydrophobicContact CB-CB 4.15Å; V195-F211 HydrophobicContact CB-CD2 4Å; V195-F211 HydrophobicContact CG1-CD2 4.16Å; V195-F211 HydrophobicContact CG2-CB 4.22Å; V195-F211 HydrophobicContact CG2-CD2 4.27Å; V195-F211 PolarHBondContact N-O 2.78Å; V195-F211 PolarHBondContact O-N 2.82Å; F211-Y213 HydrophobicContact CB-CD2 4.27Å; F211-Y213 HydrophobicContact CB-CE2 3.45Å; F211-Y213 VanDerWaalsContact CB-CE2 3.45Å; F211-Y213 HydrophobicContact CG-CE2 4.24Å; F211-E223 WeakPolarHBondContact CD1-OE1 3.17Å
212Q96.8Very high92.7Very high34 Ų3465.6 Ų65.616%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-135.8121.7173.9178.6168.35.200108.2N192 V193 I194 I209 E223 L224N192-Q212 PolarHBondContact ND2-NE2 3.11Å; N192-Q212 VanDerWaalsContact OD1-CG 3.31Å; N192-Q212 WeakPolarHBondContact OD1-CG 3.28Å; N192-Q212 PolarHBondContact OD1-NE2 2.85Å; V193-Q212 CarbonylContact O-C 3.56Å; V193-Q212 WeakPolarHBondContact O-CA 3.49Å; I194-Q212 HydrophobicContact CG1-CG 4.09Å; I209-Q212 HydrophobicContact CG2-CB 4.46Å; Q212-E223 CarbonylContact O-C 3.56Å; Q212-E223 WeakPolarHBondContact O-CA 3.45Å; Q212-L224 HydrophobicContact CB-CB 4.21Å; Q212-L224 HydrophobicContact CG-CB 4.04Å; Q212-L224 HydrophobicContact CG-CD2 4.21Å; Q212-L224 PolarHBondContact O-N 2.83Å
213Y96.1Very high92.9Very high21 Ų2163.8 Ų63.88%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-118.6127.9-178.3-55.9-81.2000109.8L110 N192 V193 V195 F211 M221 H222 E223L110-Y213 HydrophobicContact CD1-CD2 4.07Å; L110-Y213 HydrophobicContact CD1-CE2 4.17Å; L110-Y213 HydrophobicContact CD1-CG 4.42Å; N192-Y213 WeakPolarHBondContact CA-O 3.36Å; V193-Y213 PolarHBondContact N-O 2.89Å; V193-Y213 PolarHBondContact O-N 2.85Å; V195-Y213 HydrophobicContact CG2-CE2 4.36Å; F211-Y213 HydrophobicContact CB-CD2 4.27Å; F211-Y213 HydrophobicContact CB-CE2 3.45Å; F211-Y213 VanDerWaalsContact CB-CE2 3.45Å; F211-Y213 HydrophobicContact CG-CE2 4.24Å; Y213-M221 HydrophobicContact CD1-CE 4.26Å; Y213-M221 HydrophobicContact CD1-CG 4.18Å; Y213-M221 HydrophobicContact CD1-SD 3.87Å; Y213-M221 HydrophobicContact CE1-CE 4.42Å; Y213-M221 HydrophobicContact CE1-SD 4.4Å; Y213-M221 HydrophobicContact CG-SD 4.33Å; Y213-H222 CarbonylContact C-O 3.42Å; Y213-H222 WeakPolarHBondContact CA-O 3.44Å; Y213-E223 HydrophobicContact CD1-CB 3.92Å; Y213-E223 HydrophobicContact CD1-CG 4.04Å; Y213-E223 HydrophobicContact CE1-CB 3.93Å; Y213-E223 HydrophobicContact CE1-CG 3.78Å
214L95.1Very high93Very high17 Ų1764.3 Ų64.39%0.08932%0.323CS..EExtended strand (participates in β ladder)trans-97.2126.6171.2-60.3178.2000108.7I189 N192 M221 H222 L224I189-L214 HydrophobicContact CD1-CD1 4.09Å; I189-L214 HydrophobicContact CG2-CB 4.33Å; I189-L214 HydrophobicContact CG2-CD2 4.15Å; N192-L214 HydrophobicContact CB-CD2 3.93Å; L214-M221 WeakPolarHBondContact O-CA 2.87Å; L214-H222 PolarHBondContact N-O 3.41Å; L214-H222 PolarHBondContact O-N 3.05Å; L214-L224 HydrophobicContact CD1-CD1 4.12Å
215L94.4Very high93Very high0 Ų061.6 Ų61.60%031%0.305CS..EExtended strand (participates in β ladder)trans-101.5135.8175.3-55.8-165.4000109.1L110 L119 F125 I189 V190 A191 V193 M221L110-L215 HydrophobicContact CD2-CD1 4.49Å; L110-L215 HydrophobicContact CD2-CD2 3.97Å; L119-L215 HydrophobicContact CB-CD1 4.02Å; L119-L215 HydrophobicContact CD1-CD1 3.92Å; F125-L215 HydrophobicContact CE1-CD1 4.33Å; F125-L215 HydrophobicContact CE2-CD1 4.43Å; F125-L215 HydrophobicContact CZ-CD1 3.58Å; I189-L215 CarbonylContact C-O 3.57Å; I189-L215 WeakPolarHBondContact CA-O 3.43Å; V190-L215 HydrophobicContact CG2-CB 4.18Å; V190-L215 WeakPolarHBondContact CG2-O 3.18Å; V190-L215 PolarHBondContact N-O 3.5Å; A191-L215 HydrophobicContact CB-CB 4.09Å; A191-L215 HydrophobicContact CB-CD1 4.19Å; A191-L215 HydrophobicContact CB-CG 4.26Å; A191-L215 PolarHBondContact N-O 3.28Å; A191-L215 PolarHBondContact O-N 3.19Å; V193-L215 HydrophobicContact CG2-CD1 4.23Å; V193-L215 HydrophobicContact CG2-CG 4.35Å; L215-M221 HydrophobicContact CD2-CB 3.94Å; L215-M221 HydrophobicContact CD2-CG 3.71Å
216T92Very high92.8Very high6 Ų661 Ų614%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-106157.5-179.6740000112.1H113 N188 Q218 G219 Y220H113-T216 PolarHBondContact NE2-O 3.49Å; N188-T216 CarbonylContact O-C 3.56Å; N188-T216 WeakPolarHBondContact O-CA 3.16Å; T216-Q218 PolarHBondContact O-N 2.74Å; T216-Q218 VanDerWaalsContact O-N 3.13Å; T216-G219 PolarHBondContact O-N 2.73Å; T216-Y220 PolarHBondContact N-O 2.9Å; T216-Y220 WeakPolarHBondContact OG1-CB 3.32Å; T216-Y220 PolarHBondContact OG1-N 2.95Å; T216-Y220 PolarHBondContact OG1-O 3.27Å
217S88.9Confident92.7Very high35 Ų3560.3 Ų60.325%0.24530%0.296CS..THydrogen-bonded Turntrans-58.9-24.2175.868.60000112.7R118 N188 G219R118-S217 PolarHBondContact NE-O 3.26Å; R118-S217 PolarHBondContact NH1-O 3.15Å; N188-S217 PolarHBondContact O-N 2.98Å; N188-S217 PolarHBondContact OD1-OG 3.38Å; S217-G219 VanDerWaalsContact C-N 3.31Å
218Q87.8Confident92.4Very high118 Ų11863.4 Ų63.455%0.55131%0.305SS*.THydrogen-bonded Turntrans-83.5-6.1179.6-58.2176.817.400112.8T216 Y220T216-Q218 PolarHBondContact O-N 2.74Å; T216-Q218 VanDerWaalsContact O-N 3.13Å; Q218-Y220 HydrophobicContact CB-CD2 3.73Å; Q218-Y220 HydrophobicContact CB-CE2 3.84Å
219G89.1Confident91.9Very high9 Ų962.3 Ų62.39%0.09331%0.306CS..SBendtrans90.27.9-178.200000113.9Q114 T216 S217Q114-G219 VanDerWaalsContact CA-O 3.25Å; Q114-G219 WeakPolarHBondContact CA-O 3.41Å; T216-G219 PolarHBondContact O-N 2.73Å; S217-G219 VanDerWaalsContact C-N 3.31Å
220Y90.2Very high90.5Very high134 Ų13460.6 Ų60.653%0.52530%0.299SS..  trans-81.3146.2174.3-59.7-67.7000111.1T216 Q218 H222T216-Y220 PolarHBondContact N-O 2.9Å; T216-Y220 WeakPolarHBondContact OG1-CB 3.32Å; T216-Y220 PolarHBondContact OG1-N 2.95Å; T216-Y220 PolarHBondContact OG1-O 3.27Å; Q218-Y220 HydrophobicContact CB-CD2 3.73Å; Q218-Y220 HydrophobicContact CB-CE2 3.84Å; Y220-H222 WeakPolarHBondContact CB-NE2 3.45Å
221M92.6Very high88.8Confident52 Ų5261.1 Ų61.126%0.25631%0.314SS..EExtended strand (participates in β ladder)trans-116.6125.3172.3178.8-165.373.800108.1L110 Q114 Y213 L214 L215L110-M221 HydrophobicContact CB-SD 3.85Å; L110-M221 HydrophobicContact CD1-SD 4.1Å; L110-M221 HydrophobicContact CD2-SD 4.09Å; L110-M221 HydrophobicContact CG-SD 4.23Å; Q114-M221 HydrophobicContact CG-CB 4.39Å; Y213-M221 HydrophobicContact CD1-CE 4.26Å; Y213-M221 HydrophobicContact CD1-CG 4.18Å; Y213-M221 HydrophobicContact CD1-SD 3.87Å; Y213-M221 HydrophobicContact CE1-CE 4.42Å; Y213-M221 HydrophobicContact CE1-SD 4.4Å; Y213-M221 HydrophobicContact CG-SD 4.33Å; L214-M221 WeakPolarHBondContact O-CA 2.87Å; L215-M221 HydrophobicContact CD2-CB 3.94Å; L215-M221 HydrophobicContact CD2-CG 3.71Å
222H92.5Very high86.6Confident106 Ų10663.8 Ų63.849%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-119.5124.9177.2-61.1-69.2000110Y213 L214 Y220Y213-H222 CarbonylContact C-O 3.42Å; Y213-H222 WeakPolarHBondContact CA-O 3.44Å; L214-H222 PolarHBondContact N-O 3.41Å; L214-H222 PolarHBondContact O-N 3.05Å; Y220-H222 WeakPolarHBondContact CB-NE2 3.45Å
223E94.1Very high84.3Confident75 Ų7566.1 Ų66.135%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-78.9121.2170.8-169-177.2-168.900109.5F211 Q212 Y213 K225F211-E223 WeakPolarHBondContact CD1-OE1 3.17Å; Q212-E223 CarbonylContact O-C 3.56Å; Q212-E223 WeakPolarHBondContact O-CA 3.45Å; Y213-E223 HydrophobicContact CD1-CB 3.92Å; Y213-E223 HydrophobicContact CD1-CG 4.04Å; Y213-E223 HydrophobicContact CE1-CB 3.93Å; Y213-E223 HydrophobicContact CE1-CG 3.78Å; E223-K225 HydrophobicContact CG-CD 4.46Å; E223-K225 PolarHBondContact O-N 2.81Å; E223-K225 VanDerWaalsContact OE1-CE 3.31Å; E223-K225 WeakPolarHBondContact OE1-CE 3.38Å; E223-K225 IonicContact OE1-NZ 3.16Å; E223-K225 PolarHBondContact OE1-NZ 3.29Å; E223-K225 WeakPolarHBondContact OE2-CE 3.16Å; E223-K225 IonicContact OE2-NZ 2.73Å; E223-K225 PolarHBondContact OE2-NZ 3.14Å; E223-K225 VanDerWaalsContact OE2-NZ 3.16Å
224L92.6Very high81.5Confident80 Ų8070.8 Ų70.842%0.41940%0.396SS..  trans-76.3124178.9-165.667.1000109.6Q212 L214Q212-L224 HydrophobicContact CB-CB 4.21Å; Q212-L224 HydrophobicContact CG-CB 4.04Å; Q212-L224 HydrophobicContact CG-CD2 4.21Å; Q212-L224 PolarHBondContact O-N 2.83Å; L214-L224 HydrophobicContact CD1-CD1 4.12Å
225K90.1Very high78.5Confident81 Ų8173.7 Ų73.735%0.35243%0.43SS..  trans-126.4134.2179.4-65.6-64.5-170-165.30110.4E223E223-K225 HydrophobicContact CG-CD 4.46Å; E223-K225 PolarHBondContact O-N 2.81Å; E223-K225 VanDerWaalsContact OE1-CE 3.31Å; E223-K225 WeakPolarHBondContact OE1-CE 3.38Å; E223-K225 IonicContact OE1-NZ 3.16Å; E223-K225 PolarHBondContact OE1-NZ 3.29Å; E223-K225 WeakPolarHBondContact OE2-CE 3.16Å; E223-K225 IonicContact OE2-NZ 2.73Å; E223-K225 PolarHBondContact OE2-NZ 3.14Å; E223-K225 VanDerWaalsContact OE2-NZ 3.16Å
226P88.6Confident75.4Confident87 Ų8782.6 Ų82.657%0.56547%0.472SS*.  trans-67.8151.1173.830-34.7000110.5R277P226-R277 PolarHBondContact O-NE 3.26Å; P226-R277 VanDerWaalsContact O-NE 3.08Å
227L89.9Confident72.8Confident71 Ų7188.7 Ų88.737%0.37251%0.512SS..  trans-88.1145.7167-57.3-178.1000109.2V272 R277 F303 L305L227-V272 HydrophobicContact CD1-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG1 3.91Å; L227-R277 HydrophobicContact CD2-CB 4.08Å; L227-F303 HydrophobicContact CD1-CZ 4.22Å; L227-F303 HydrophobicContact CD2-CZ 4.16Å; L227-L305 HydrophobicContact CD1-CD2 4.03Å
228F88.3Confident70.1Confident91 Ų9191.9 Ų91.940%0.39954%0.54SS..EExtended strand (participates in β ladder)trans-102.1111.6178.6-60.6-71.9000109.4R277 H278 A279F228-R277 HydrophobicContact CD2-CB 4.17Å; F228-R277 PolarHBondContact N-O 3.11Å; F228-H278 WeakPolarHBondContact CB-CD2 3.4Å; F228-H278 CarbonylContact O-C 3.55Å; F228-H278 WeakPolarHBondContact O-CA 3.35Å; F228-A279 PolarHBondContact O-N 2.81Å
229M83.8Confident67.2Low90 Ų9089.7 Ų89.744%0.44355%0.549SS..EExtended strand (participates in β ladder)trans-102.7138.3175.6-56.2-173.775.100109.1A231 R259 A279 L305M229-A231 PolarHBondContact O-N 2.75Å; M229-R259 VanDerWaalsContact CB-NH1 3.35Å; M229-R259 PolarHBondContact O-NH1 2.86Å; M229-A279 HydrophobicContact CG-CB 4.18Å; M229-L305 HydrophobicContact CE-CD1 4.12Å
230S67.1Low64.6Low26 Ų2697.7 Ų97.718%0.18258%0.584CS.*PPolyproline II helixtrans-64.4117.5179.1-58.50000110.9R259S230-R259 WeakPolarHBondContact O-CD 3.28Å; S230-R259 PolarHBondContact O-NE 3.43Å; S230-R259 PolarHBondContact O-NH1 2.81Å
231A58.4Low61.7Low83 Ų8399.3 Ų99.369%0.68660%0.597SS**PPolyproline II helixtrans-74.3124.9174.500000109M229M229-A231 PolarHBondContact O-N 2.75Å
232E50.1Low58.7Low123 Ų123105.3 Ų105.358%0.57563%0.626SS**PPolyproline II helixtrans-79.7129.1161.7-75.8-173.818000107.9S234E232-S234 PolarHBondContact O-N 2.92Å
233G47.8Very low55.8Low84 Ų84107.7 Ų107.787%0.86664%0.637SS**PPolyproline II helixtrans-70120.9174.600000111.1
234S37.9Very low52.8Low118 Ų118114.7 Ų114.783%0.82566%0.661SS**PPolyproline II helixtrans-97.8137.9139.250.30000107.5E232E232-S234 PolarHBondContact O-N 2.92Å
235G31.4Very low49.8Very low78 Ų78116.3 Ų116.380%0.80468%0.678SS**PPolyproline II helixtrans-62.6163.8-158.100000118.3
236E29.7Very low47.7Very low188 Ų188118.3 Ų118.388%0.87970%0.7SS**  trans3150.1169.5-64.2-174.1151.100122.8A238E236-A238 PolarHBondContact O-N 2.9Å
237P38.8Very low44.7Very low134 Ų134120.8 Ų120.887%0.8771%0.708SS**  trans-81.8110.2170.233.8-28.8000110.8
238A31.7Very low41.9Very low101 Ų101128.1 Ų128.184%0.83573%0.731SS**  trans-106.6127.9163.600000109.5E236E236-A238 PolarHBondContact O-N 2.9Å
239G27.8Very low39Very low72 Ų72126.8 Ų126.874%0.74274%0.743SS**  trans-72.7166.4-171.200000116.4
240E32.7Very low36.9Very low177 Ų177132.2 Ų132.283%0.82777%0.767SS**  trans65.7116.9147.7-66.7-174.1-17700121
241Q31Very low35.1Very low169 Ų169135.8 Ų135.879%0.7979%0.792SS**  trans79.8113.2145.7-60.8175.515.800119.8
242M29.7Very low33.6Very low177 Ų177137 Ų13787%0.87279%0.787SS**  178.4145.7113.5-170.461.675.400111.5
243E31.2Very low32.7Very low157 Ų157143.8 Ų143.873%0.73481%0.808SS**  trans-80.8160.8-164.7-48.1-175.6127.700117.4
244R31.3Very low32.2Very low222 Ų222143.7 Ų143.784%0.83879%0.794SS**  trans53.2121.9143.5-110.8168.5175.6122.30.5119.4
245S29.1Very low32.2Very low113 Ų113146.3 Ų146.379%0.7979%0.793SS**  -177.2161.580.2-59.30000111.8
246P45.1Very low32.7Very low124 Ų124151.7 Ų151.781%0.80580%0.797SS**  trans-102.5140.9-171.637.4-27.3000113.4
247D26.2Very low33.4Very low139 Ų139150 Ų15074%0.74379%0.791SS**  trans172.8146135.2-164.922.4000110.9
248R30.8Very low34.3Very low225 Ų225145.4 Ų145.485%0.84977%0.768SS**  trans66.5115.4164-82.3168.6-164.6-95.7-5.3121.2
249G27.8Very low36.4Very low63 Ų63144.5 Ų144.565%0.64974%0.743SS**  trans148.699.2143.100000111.3S251G249-S251 VanDerWaalsContact C-N 3.31Å; G249-S251 PolarHBondContact O-N 2.75Å
250E38.8Very low39.3Very low204 Ų204143.2 Ų143.295%0.95372%0.72SS**  trans-48.996.5163-65.9173.615700109N252E250-N252 VanDerWaalsContact C-N 3.34Å; E250-N252 PolarHBondContact O-N 3.1Å
251S29.4Very low42.1Very low101 Ų101134.8 Ų134.871%0.70668%0.68SS**  trans-88.583.4176.236.20000107.8G249 W253G249-S251 VanDerWaalsContact C-N 3.31Å; G249-S251 PolarHBondContact O-N 2.75Å; S251-W253 PolarHBondContact O-N 3.26Å; S251-W253 VanDerWaalsContact O-N 3.15Å
252N27.4Very low45Very low109 Ų109129 Ų12958%0.58366%0.656SS**  trans5.296.6140.2-164.436.7000114.5E250 S254E250-N252 VanDerWaalsContact C-N 3.34Å; E250-N252 PolarHBondContact O-N 3.1Å; N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 WeakPolarHBondContact OD1-CB 3.44Å; N252-S254 PolarHBondContact OD1-OG 2.79Å
253W32.2Very low48Very low264 Ų264124 Ų124100%164%0.636SS**THydrogen-bonded Turntrans-67.132.8172.8-75.4101.9000113.9S251S251-W253 PolarHBondContact O-N 3.26Å; S251-W253 VanDerWaalsContact O-N 3.15Å
254S36Very low50.9Low82 Ų82119 Ų11957%0.57362%0.617SS**THydrogen-bonded Turntrans-114.60.2-164.3-47.80000115.5N252N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 WeakPolarHBondContact OD1-CB 3.44Å; N252-S254 PolarHBondContact OD1-OG 2.79Å
255E39.4Very low53.8Low173 Ų173115.7 Ų115.781%0.80861%0.611SS**  trans-144.857.6-170.9-67.1-176.5161.500113.1
256E41.3Very low56.6Low191 Ų191116.9 Ų116.989%0.89361%0.609SS**  trans-92.895.5158.5-136.2-179.2-164.900108G258E256-G258 PolarHBondContact O-N 3.44Å; E256-G258 VanDerWaalsContact O-N 3.15Å
257M43.8Very low58.7Low152 Ų152112.8 Ų112.875%0.74959%0.585SS**  trans-12.7106.6170.8-160.472.9159.600113.1R259M257-R259 PolarHBondContact O-N 2.87Å
258G57.2Low61.8Low38 Ų38108 Ų10839%0.39257%0.565SS.*  trans-54.7109.2169.900000108.1E256 N260E256-G258 PolarHBondContact O-N 3.44Å; E256-G258 VanDerWaalsContact O-N 3.15Å; G258-N260 PolarHBondContact O-N 3.13Å
259R75.9Confident64.7Low82 Ų8297.9 Ų97.931%0.30953%0.529SS..PPolyproline II helixtrans-50.1141.5-176.8-71.3149.7177.1-14511.8109.8M229 S230 M257 V269M229-R259 VanDerWaalsContact CB-NH1 3.35Å; M229-R259 PolarHBondContact O-NH1 2.86Å; S230-R259 WeakPolarHBondContact O-CD 3.28Å; S230-R259 PolarHBondContact O-NE 3.43Å; S230-R259 PolarHBondContact O-NH1 2.81Å; M257-R259 PolarHBondContact O-N 2.87Å; R259-V269 HydrophobicContact CB-CG2 4.44Å; R259-V269 WeakPolarHBondContact O-CG2 3.23Å; R259-V269 PolarHBondContact O-N 2.66Å
260N89.6Confident67.7Low46 Ų4695.9 Ų95.925%0.24651%0.505CS..BIsolated β-bridgetrans-74.3146.7179.9-67.3-45.9000110.6G258 V262G258-N260 PolarHBondContact O-N 3.13Å; N260-V262 PolarHBondContact O-N 2.86Å
261C91.7Very high70.2Confident0 Ų087.8 Ų87.80%047%0.465CS..PPolyproline II helixtrans-54.6127171.6172.10000109.5V263 Q265 A267 C282 C285C261-V263 PolarHBondContact O-N 3.28Å; C261-V263 VanDerWaalsContact O-N 3.09Å; C261-Q265 WeakPolarHBondContact O-CA 3.48Å; C261-Q265 PolarHBondContact O-N 2.77Å; C261-A267 WeakPolarHBondContact CB-O 3.16Å; C261-A267 PolarHBondContact N-O 3.49Å; C261-C282 HydrophobicContact CB-CB 3.99Å; C261-C282 PolarHBondContact SG-N 3.05Å; C261-C282 VanDerWaalsContact SG-N 3.38Å; C261-C285 VanDerWaalsContact SG-SG 3.61Å
262V92.1Very high73.3Confident47 Ų4783 Ų8329%0.28543%0.432SS..THydrogen-bonded Turntrans-67-15.8-176.7-56.50000113.6N260 C280 V281 P293 I294N260-V262 PolarHBondContact O-N 2.86Å; V262-C280 HydrophobicContact CG1-CB 4.21Å; V262-C280 HydrophobicContact CG2-CB 4.2Å; V262-C280 WeakPolarHBondContact CG2-O 3.38Å; V262-C280 PolarHBondContact N-O 2.93Å; V262-V281 HydrophobicContact CG2-CG1 4.37Å; V262-P293 HydrophobicContact CG2-CB 3.82Å; V262-P293 HydrophobicContact CG2-CG 4.27Å; V262-I294 HydrophobicContact CG1-CD1 4.23Å; V262-I294 HydrophobicContact CG2-CD1 4.39Å
263V92Very high76.4Confident73 Ų7377.8 Ų77.844%0.44240%0.404SS..THydrogen-bonded Turntrans-86.9-57.4-178.7-179.60000111.2C261 V281 C285 F289 P293C261-V263 PolarHBondContact O-N 3.28Å; C261-V263 VanDerWaalsContact O-N 3.09Å; V263-V281 HydrophobicContact CG2-CG1 4.01Å; V263-C285 HydrophobicContact CB-CB 4Å; V263-C285 HydrophobicContact CG1-CB 4.17Å; V263-C285 HydrophobicContact CG2-CB 4.44Å; V263-F289 HydrophobicContact CG2-CE1 3.93Å; V263-P293 HydrophobicContact CG2-CG 4.01Å
264C92.8Very high79.3Confident52 Ų5266.8 Ų66.835%0.35136%0.364SS..THydrogen-bonded Turntrans-93.2-16.9-17868.80000114.3N266 A267 C285C264-N266 PolarHBondContact O-N 2.79Å; C264-A267 PolarHBondContact SG-N 3.08Å; C264-A267 VanDerWaalsContact SG-N 3.45Å; C264-C285 VanDerWaalsContact CB-SG 3.59Å
265Q90.7Very high82.1Confident151 Ų15166.6 Ų66.671%0.70636%0.361SS*.SBendtrans52.821.6-176.7-57.4179.914.500114.4C261C261-Q265 WeakPolarHBondContact O-CA 3.48Å; C261-Q265 PolarHBondContact O-N 2.77Å
266N88.9Confident84.7Confident139 Ų13959.5 Ų59.574%0.74333%0.33SS*.SBendtrans-125.1-46.9-173-178.548.6000112.3C264C264-N266 PolarHBondContact O-N 2.79Å
267A89.7Confident87.2Confident37 Ų3753.6 Ų53.631%0.30630%0.3SS..SBendtrans-90.5148.1177.900000110.8C261 C264 C282C261-A267 WeakPolarHBondContact CB-O 3.16Å; C261-A267 PolarHBondContact N-O 3.49Å; C264-A267 PolarHBondContact SG-N 3.08Å; C264-A267 VanDerWaalsContact SG-N 3.45Å; A267-C282 HydrophobicContact CB-CB 3.78Å
268A90.6Very high89.5Confident40 Ų4047.9 Ų47.933%0.33127%0.271SS..BIsolated β-bridgetrans-62.9149.817300000111.8S270 C282A268-S270 PolarHBondContact O-N 2.92Å; A268-C282 WeakPolarHBondContact O-CB 3.4Å
269V91.7Very high91.2Very high12 Ų1246.1 Ų46.17%0.07325%0.253CS..PPolyproline II helixtrans-61.2126.4170.8173.80000109.5R259 A279 L305R259-V269 HydrophobicContact CB-CG2 4.44Å; R259-V269 WeakPolarHBondContact O-CG2 3.23Å; R259-V269 PolarHBondContact O-N 2.66Å; V269-A279 HydrophobicContact CG1-CB 3.93Å; V269-L305 HydrophobicContact CG1-CD1 3.81Å
270S91.4Very high92Very high21 Ų2142.2 Ų42.215%0.14724%0.238CC..  trans-129.1-12.7-179.662.80000113.4A268 V281 C282 D283 S304 L305A268-S270 PolarHBondContact O-N 2.92Å; S270-V281 PolarHBondContact N-O 3.26Å; S270-C282 WeakPolarHBondContact OG-CA 3.42Å; S270-D283 PolarHBondContact OG-N 3.1Å; S270-D283 PolarHBondContact OG-OD1 2.81Å; S270-S304 CarbonylContact O-C 3.43Å; S270-S304 WeakPolarHBondContact O-CA 3Å; S270-L305 PolarHBondContact O-N 3.02Å
271R91.2Very high92.2Very high34 Ų3440 Ų4013%0.12823%0.227CC..EExtended strand (participates in β ladder)trans-117.1141.6-176.7-65.6-66.7-178.4175.4-3.5112.6E58 A279 V281 D283 M286 F303E58-R271 IonicContact OE1-CZ 3.16Å; E58-R271 IonicContact OE1-NH1 2.74Å; E58-R271 PolarHBondContact OE1-NH1 3.36Å; E58-R271 IonicContact OE1-NH2 3.38Å; E58-R271 IonicContact OE2-NH1 3.62Å; E58-R271 IonicContact OE2-NH2 3.92Å; R271-A279 VanDerWaalsContact O-CA 3.31Å; R271-A279 WeakPolarHBondContact O-CA 3.13Å; R271-V281 HydrophobicContact CB-CG2 4.02Å; R271-V281 PolarHBondContact N-O 2.68Å; R271-D283 VanDerWaalsContact CD-OD1 3.29Å; R271-D283 WeakPolarHBondContact CD-OD1 3.33Å; R271-D283 VanDerWaalsContact CG-OD1 3.25Å; R271-D283 WeakPolarHBondContact CG-OD1 3.36Å; R271-D283 IonicContact CZ-OD1 2.58Å; R271-D283 IonicContact NE-OD1 2.7Å; R271-D283 PolarHBondContact NE-OD1 2.76Å; R271-D283 IonicContact NH2-OD1 3.82Å; R271-M286 HydrophobicContact CG-CB 4.39Å; R271-F303 WeakPolarHBondContact CA-O 3.37Å
272V93.1Very high92.2Very high0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-105.6133165.6-173.50000109.2L227 A279 S302 F303 L305L227-V272 HydrophobicContact CD1-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG1 3.91Å; V272-A279 HydrophobicContact CG2-CB 3.89Å; V272-S302 WeakPolarHBondContact O-CA 3.08Å; V272-S302 WeakPolarHBondContact O-CB 3.34Å; V272-F303 HydrophobicContact CB-CD1 3.96Å; V272-F303 HydrophobicContact CB-CD2 4.17Å; V272-F303 HydrophobicContact CB-CE1 3.55Å; V272-F303 HydrophobicContact CB-CE2 3.78Å; V272-F303 HydrophobicContact CB-CG 4.25Å; V272-F303 HydrophobicContact CB-CZ 3.46Å; V272-F303 VanDerWaalsContact CB-CZ 3.46Å; V272-F303 HydrophobicContact CG1-CD1 4.35Å; V272-F303 HydrophobicContact CG1-CE1 3.57Å; V272-F303 HydrophobicContact CG1-CE2 4.39Å; V272-F303 HydrophobicContact CG1-CZ 3.6Å; V272-F303 HydrophobicContact CG2-CD2 4.06Å; V272-F303 HydrophobicContact CG2-CE1 4.12Å; V272-F303 HydrophobicContact CG2-CE2 3.44Å; V272-F303 VanDerWaalsContact CG2-CE2 3.44Å; V272-F303 HydrophobicContact CG2-CZ 3.48Å; V272-F303 VanDerWaalsContact CG2-CZ 3.48Å; V272-F303 PolarHBondContact N-O 3.15Å; V272-F303 PolarHBondContact O-N 2.87Å; V272-F303 VanDerWaalsContact O-N 3.14Å; V272-L305 HydrophobicContact CG2-CD2 3.28Å; V272-L305 HydrophobicContact CG2-CG 3.58Å
273L93.9Very high92.2Very high0 Ų041.5 Ų41.50%023%0.233CC..EExtended strand (participates in β ladder)trans-98.1129.4-178.9-52.9-179.6000110.5R277 H278 V281 M286 F289 C292 V299L273-R277 VanDerWaalsContact O-CA 3.23Å; L273-R277 WeakPolarHBondContact O-CA 3.2Å; L273-R277 PolarHBondContact O-N 3.13Å; L273-H278 PolarHBondContact N-O 3.39Å; L273-V281 HydrophobicContact CD1-CG2 4.32Å; L273-V281 HydrophobicContact CD2-CG2 4.02Å; L273-V281 HydrophobicContact CG-CG2 4.36Å; L273-M286 HydrophobicContact CD2-CG 4.41Å; L273-F289 HydrophobicContact CD1-CE2 4.32Å; L273-C292 HydrophobicContact CD1-CB 3.91Å; L273-V299 HydrophobicContact CB-CG1 4.17Å; L273-V299 HydrophobicContact CB-CG2 4.25Å; L273-V299 HydrophobicContact CD1-CG2 4.01Å; L273-V299 HydrophobicContact CD2-CG1 3.93Å; L273-V299 HydrophobicContact CD2-CG2 4.31Å; L273-V299 HydrophobicContact CG-CG2 4.41Å
274L93.5Very high92.1Very high32 Ų3241.9 Ų41.917%0.16824%0.239CC..EExtended strand (participates in β ladder)trans-106.3144.2175.9-63.2178.9000110.7K59 R277 L300 E301 F303K59-L274 HydrophobicContact CD-CD1 4.23Å; L274-R277 HydrophobicContact CD2-CG 4.33Å; L274-L300 PolarHBondContact O-N 2.79Å; L274-E301 HydrophobicContact CB-CB 4.08Å; L274-E301 WeakPolarHBondContact CB-O 3Å; L274-E301 HydrophobicContact CD1-CB 4.07Å; L274-E301 PolarHBondContact N-O 2.77Å; L274-F303 HydrophobicContact CD1-CD1 4.16Å; L274-F303 HydrophobicContact CD1-CE1 4.46Å; L274-F303 HydrophobicContact CD2-CE1 4.14Å; L274-F303 HydrophobicContact CG-CD1 4.31Å; L274-F303 HydrophobicContact CG-CE1 4.37Å
275P93Very high92.1Very high79 Ų7940.1 Ų40.151%0.51323%0.227SC..THydrogen-bonded Turncis-89.9-1.28.235.1-35.4000114.6R277 L300P275-R277 VanDerWaalsContact C-N 3.29Å; P275-R277 PolarHBondContact O-N 3.02Å; P275-L300 HydrophobicContact CG-CD1 4.36Å
276C93.8Very high92.1Very high23 Ų2333.4 Ų33.416%0.15520%0.196CC..THydrogen-bonded Turntrans-74.3-14.4-17169.70000115.1H278 C295 A297C276-H278 PolarHBondContact O-N 2.88Å; C276-C295 WeakPolarHBondContact CB-SG 3.25Å; C276-A297 HydrophobicContact CB-CB 4.03Å
277R94.3Very high92Very high68 Ų6831.5 Ų31.526%0.25719%0.185SC..THydrogen-bonded Turntrans62.320179.2-52.4-174.4-62.5-98.9-3.1115.2P226 L227 F228 L273 L274 P275P226-R277 PolarHBondContact O-NE 3.26Å; P226-R277 VanDerWaalsContact O-NE 3.08Å; L227-R277 HydrophobicContact CD2-CB 4.08Å; F228-R277 HydrophobicContact CD2-CB 4.17Å; F228-R277 PolarHBondContact N-O 3.11Å; L273-R277 VanDerWaalsContact O-CA 3.23Å; L273-R277 WeakPolarHBondContact O-CA 3.2Å; L273-R277 PolarHBondContact O-N 3.13Å; L274-R277 HydrophobicContact CD2-CG 4.33Å; P275-R277 VanDerWaalsContact C-N 3.29Å; P275-R277 PolarHBondContact O-N 3.02Å
278H93.1Very high92Very high32 Ų3237 Ų3715%0.14820%0.204CC..EExtended strand (participates in β ladder)trans-78.2126174.1-73.9107.3000110.9F228 L273 C276 C295F228-H278 WeakPolarHBondContact CB-CD2 3.4Å; F228-H278 CarbonylContact O-C 3.55Å; F228-H278 WeakPolarHBondContact O-CA 3.35Å; L273-H278 PolarHBondContact N-O 3.39Å; C276-H278 PolarHBondContact O-N 2.88Å; H278-C295 PolarHBondContact ND1-SG 3.41Å; H278-C295 VanDerWaalsContact ND1-SG 3.41Å
279A93.3Very high91.7Very high1 Ų137.1 Ų37.11%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-102.995.7166.300000108.6F228 M229 V269 R271 V272 L305F228-A279 PolarHBondContact O-N 2.81Å; M229-A279 HydrophobicContact CG-CB 4.18Å; V269-A279 HydrophobicContact CG1-CB 3.93Å; R271-A279 VanDerWaalsContact O-CA 3.31Å; R271-A279 WeakPolarHBondContact O-CA 3.13Å; V272-A279 HydrophobicContact CG2-CB 3.89Å; A279-L305 HydrophobicContact CB-CD1 3.83Å; A279-L305 HydrophobicContact CB-CD2 4.22Å; A279-L305 HydrophobicContact CB-CG 4.23Å
280C92.2Very high91.6Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-138.2-3.6-170.355.20000114V262 I294V262-C280 HydrophobicContact CG1-CB 4.21Å; V262-C280 HydrophobicContact CG2-CB 4.2Å; V262-C280 WeakPolarHBondContact CG2-O 3.38Å; V262-C280 PolarHBondContact N-O 2.93Å; C280-I294 HydrophobicContact CB-CD1 4.27Å; C280-I294 HydrophobicContact CB-CG1 3.76Å
281V93Very high91.6Very high0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-135.9153.9-171.3-600000112.4V262 V263 S270 R271 L273 M286 F289 P293V262-V281 HydrophobicContact CG2-CG1 4.37Å; V263-V281 HydrophobicContact CG2-CG1 4.01Å; S270-V281 PolarHBondContact N-O 3.26Å; R271-V281 HydrophobicContact CB-CG2 4.02Å; R271-V281 PolarHBondContact N-O 2.68Å; L273-V281 HydrophobicContact CD1-CG2 4.32Å; L273-V281 HydrophobicContact CD2-CG2 4.02Å; L273-V281 HydrophobicContact CG-CG2 4.36Å; V281-M286 HydrophobicContact CG2-CB 4.33Å; V281-F289 HydrophobicContact CB-CZ 3.9Å; V281-F289 HydrophobicContact CG1-CE1 4.2Å; V281-F289 HydrophobicContact CG1-CE2 4.39Å; V281-F289 HydrophobicContact CG1-CZ 3.56Å; V281-F289 HydrophobicContact CG2-CE2 4.48Å; V281-F289 HydrophobicContact CG2-CZ 3.88Å; V281-P293 HydrophobicContact CG1-CG 3.88Å
282C92.6Very high91.7Very high6 Ų642.4 Ų42.44%0.04122%0.221CC..  trans-89.3166.5171.671.30000111.8C261 A267 A268 S270 S284 C285 M286C261-C282 HydrophobicContact CB-CB 3.99Å; C261-C282 PolarHBondContact SG-N 3.05Å; C261-C282 VanDerWaalsContact SG-N 3.38Å; A267-C282 HydrophobicContact CB-CB 3.78Å; A268-C282 WeakPolarHBondContact O-CB 3.4Å; S270-C282 WeakPolarHBondContact OG-CA 3.42Å; C282-S284 VanDerWaalsContact C-N 3.32Å; C282-S284 PolarHBondContact O-N 3.09Å; C282-C285 PolarHBondContact O-N 3.2Å; C282-C285 PolarHBondContact SG-N 3.49Å; C282-C285 PolarHBondContact SG-SG 3.38Å; C282-M286 PolarHBondContact O-N 2.94Å; C282-M286 VanDerWaalsContact O-N 3.09Å
283D91.1Very high91.7Very high71 Ų7145 Ų4538%0.3824%0.237SC..Hα-helixtrans-54.5-45.5-178.4-61.7-20.7000112.4S270 R271S270-D283 PolarHBondContact OG-N 3.1Å; S270-D283 PolarHBondContact OG-OD1 2.81Å; R271-D283 VanDerWaalsContact CD-OD1 3.29Å; R271-D283 WeakPolarHBondContact CD-OD1 3.33Å; R271-D283 VanDerWaalsContact CG-OD1 3.25Å; R271-D283 WeakPolarHBondContact CG-OD1 3.36Å; R271-D283 IonicContact CZ-OD1 2.58Å; R271-D283 IonicContact NE-OD1 2.7Å; R271-D283 PolarHBondContact NE-OD1 2.76Å; R271-D283 IonicContact NH2-OD1 3.82Å
284S91.4Very high91.7Very high82 Ų8248.8 Ų48.857%0.57326%0.257SS*.Hα-helixtrans-67.6-41-179-46.80000112.1C282 H288C282-S284 VanDerWaalsContact C-N 3.32Å; C282-S284 PolarHBondContact O-N 3.09Å; S284-H288 PolarHBondContact O-CE1 2.63Å; S284-H288 PolarHBondContact O-ND1 2.93Å
285C92.1Very high91.7Very high14 Ų1450 Ų5010%0.09527%0.267CS..Hα-helixtrans-70.3-35.1-177.4-72.70000111.9C261 V263 C264 C282 L287 H288 F289C261-C285 VanDerWaalsContact SG-SG 3.61Å; V263-C285 HydrophobicContact CB-CB 4Å; V263-C285 HydrophobicContact CG1-CB 4.17Å; V263-C285 HydrophobicContact CG2-CB 4.44Å; C264-C285 VanDerWaalsContact CB-SG 3.59Å; C282-C285 PolarHBondContact O-N 3.2Å; C282-C285 PolarHBondContact SG-N 3.49Å; C282-C285 PolarHBondContact SG-SG 3.38Å; C285-L287 PolarHBondContact O-N 3.38Å; C285-L287 VanDerWaalsContact O-N 3.1Å; C285-H288 PolarHBondContact O-N 3.33Å; C285-H288 PolarHBondContact O-ND1 3.07Å; C285-F289 HydrophobicContact CB-CE1 4.3Å; C285-F289 WeakPolarHBondContact O-CD1 3.31Å; C285-F289 WeakPolarHBondContact O-CE1 3.33Å
286M90Very high91.7Very high11 Ų1156.2 Ų56.25%0.05428%0.28CS..Hα-helixtrans-52.2-35.3-178.3-176.4-81.4-134.400113.3T56 R271 L273 V281 C282 H288 F289 S302T56-M286 VanDerWaalsContact CB-CE 3.45Å; T56-M286 HydrophobicContact CG2-CE 4.27Å; R271-M286 HydrophobicContact CG-CB 4.39Å; L273-M286 HydrophobicContact CD2-CG 4.41Å; V281-M286 HydrophobicContact CG2-CB 4.33Å; C282-M286 PolarHBondContact O-N 2.94Å; C282-M286 VanDerWaalsContact O-N 3.09Å; M286-H288 PolarHBondContact O-N 2.75Å; M286-H288 VanDerWaalsContact O-N 3.08Å; M286-F289 HydrophobicContact CB-CZ 4.47Å; M286-S302 WeakPolarHBondContact CE-OG 3.21Å
287L88.1Confident91.7Very high98 Ų9856.8 Ų56.851%0.51329%0.287SS..THydrogen-bonded Turntrans-64.9-13.2-178.3-57.6176.9000114.5C285C285-L287 PolarHBondContact O-N 3.38Å; C285-L287 VanDerWaalsContact O-N 3.1Å
288H88.5Confident91.7Very high153 Ų15357.9 Ų57.971%0.70829%0.294SS*.THydrogen-bonded Turntrans-101-0.6-170.4-56.988000113.9S284 C285 M286S284-H288 PolarHBondContact O-CE1 2.63Å; S284-H288 PolarHBondContact O-ND1 2.93Å; C285-H288 PolarHBondContact O-N 3.33Å; C285-H288 PolarHBondContact O-ND1 3.07Å; M286-H288 PolarHBondContact O-N 2.75Å; M286-H288 VanDerWaalsContact O-N 3.08Å
289F85.1Confident91.7Very high43 Ų4356.7 Ų56.719%0.18929%0.289CS..  trans-150.6155.9-179.154.1-97.1000112.7V263 L273 V281 C285 M286 H291 P293V263-F289 HydrophobicContact CG2-CE1 3.93Å; L273-F289 HydrophobicContact CD1-CE2 4.32Å; V281-F289 HydrophobicContact CB-CZ 3.9Å; V281-F289 HydrophobicContact CG1-CE1 4.2Å; V281-F289 HydrophobicContact CG1-CE2 4.39Å; V281-F289 HydrophobicContact CG1-CZ 3.56Å; V281-F289 HydrophobicContact CG2-CE2 4.48Å; V281-F289 HydrophobicContact CG2-CZ 3.88Å; C285-F289 HydrophobicContact CB-CE1 4.3Å; C285-F289 WeakPolarHBondContact O-CD1 3.31Å; C285-F289 WeakPolarHBondContact O-CE1 3.33Å; M286-F289 HydrophobicContact CB-CZ 4.47Å; F289-H291 WeakPolarHBondContact CD2-O 3.49Å; F289-P293 HydrophobicContact CE1-CG 4.41Å; F289-P293 HydrophobicContact CE2-CG 4.2Å; F289-P293 HydrophobicContact CZ-CG 4.16Å
290Q88.7Confident91.6Very high79 Ų7961.5 Ų61.537%0.36931%0.313SS..SBendtrans-109.2-3.3176.8-64.9-179.4-1000113.1F298 V299Q290-F298 HydrophobicContact CB-CD2 4.42Å; Q290-F298 HydrophobicContact CB-CE2 3.86Å; Q290-F298 HydrophobicContact CB-CZ 4.35Å; Q290-V299 PolarHBondContact O-N 3.32Å
291H92.7Very high91.7Very high97 Ų9765.1 Ų65.145%0.44933%0.33SS..BIsolated β-bridgetrans-121.2141.5-179.6-64.686.4000110.3F289 P293 R296 A297 F298F289-H291 WeakPolarHBondContact CD2-O 3.49Å; H291-P293 WeakPolarHBondContact O-CD 3.29Å; H291-R296 PolarHBondContact CD2-O 3.34Å; H291-R296 VanDerWaalsContact CD2-O 3.27Å; H291-A297 CarbonylContact C-O 3.57Å; H291-A297 WeakPolarHBondContact CA-O 3.4Å; H291-F298 AromaticContact CE1-CD2 3.92Å; H291-F298 AromaticContact NE2-CD2 3.68Å
292C93.2Very high91.6Very high2 Ų265.1 Ų65.11%0.01433%0.33CS..  trans-60.4125.8175.7174.70000110.6L273 I294 C295 R296 A297L273-C292 HydrophobicContact CD1-CB 3.91Å; C292-I294 PolarHBondContact O-N 3.09Å; C292-I294 VanDerWaalsContact O-N 3.13Å; C292-C295 VanDerWaalsContact SG-SG 3.66Å; C292-R296 WeakPolarHBondContact O-CA 3.36Å; C292-R296 PolarHBondContact O-N 3.01Å; C292-A297 PolarHBondContact N-O 3.45Å
293P93.3Very high91.6Very high54 Ų5466.1 Ų66.135%0.35133%0.334SS..THydrogen-bonded Turntrans-60.7-24.6179.9-27.536.1000114.7V262 V263 V281 F289 H291V262-P293 HydrophobicContact CG2-CB 3.82Å; V262-P293 HydrophobicContact CG2-CG 4.27Å; V263-P293 HydrophobicContact CG2-CG 4.01Å; V281-P293 HydrophobicContact CG1-CG 3.88Å; F289-P293 HydrophobicContact CE1-CG 4.41Å; F289-P293 HydrophobicContact CE2-CG 4.2Å; F289-P293 HydrophobicContact CZ-CG 4.16Å; H291-P293 WeakPolarHBondContact O-CD 3.29Å
294I91.8Very high91.6Very high80 Ų8063.7 Ų63.741%0.4132%0.322SS..THydrogen-bonded Turntrans-85.5-55-177-56-59.4000111.5V262 C280 C292V262-I294 HydrophobicContact CG1-CD1 4.23Å; V262-I294 HydrophobicContact CG2-CD1 4.39Å; C280-I294 HydrophobicContact CB-CD1 4.27Å; C280-I294 HydrophobicContact CB-CG1 3.76Å; C292-I294 PolarHBondContact O-N 3.09Å; C292-I294 VanDerWaalsContact O-N 3.13Å
295C93.9Very high91.3Very high56 Ų5661.7 Ų61.738%0.37831%0.305SS..THydrogen-bonded Turntrans-109.4-1.6-172.568.70000114.7C276 H278 C292 A297C276-C295 WeakPolarHBondContact CB-SG 3.25Å; H278-C295 PolarHBondContact ND1-SG 3.41Å; H278-C295 VanDerWaalsContact ND1-SG 3.41Å; C292-C295 VanDerWaalsContact SG-SG 3.66Å; C295-A297 PolarHBondContact O-N 3.45Å; C295-A297 VanDerWaalsContact SG-CB 3.59Å
296R93.8Very high90.5Very high210 Ų21069.2 Ų69.279%0.79233%0.332SS*.  trans60.310.7-178.5-51.3-179.8-178174.4-0.5115.2H291 C292H291-R296 PolarHBondContact CD2-O 3.34Å; H291-R296 VanDerWaalsContact CD2-O 3.27Å; C292-R296 WeakPolarHBondContact O-CA 3.36Å; C292-R296 PolarHBondContact O-N 3.01Å
297A93.3Very high88.9Confident35 Ų3572.1 Ų72.129%0.28935%0.351SS..  trans-65.8143.617200000110.5C276 H291 C292 C295C276-A297 HydrophobicContact CB-CB 4.03Å; H291-A297 CarbonylContact C-O 3.57Å; H291-A297 WeakPolarHBondContact CA-O 3.4Å; C292-A297 PolarHBondContact N-O 3.45Å; C295-A297 PolarHBondContact O-N 3.45Å; C295-A297 VanDerWaalsContact SG-CB 3.59Å
298F94.1Very high87.2Confident92 Ų9272.8 Ų72.840%0.40436%0.359SS..BIsolated β-bridgetrans-63134.3173.8-167.1-91.5000110.5Q290 H291 L300Q290-F298 HydrophobicContact CB-CD2 4.42Å; Q290-F298 HydrophobicContact CB-CE2 3.86Å; Q290-F298 HydrophobicContact CB-CZ 4.35Å; H291-F298 AromaticContact CE1-CD2 3.92Å; H291-F298 AromaticContact NE2-CD2 3.68Å; F298-L300 HydrophobicContact CD1-CD2 3.61Å; F298-L300 HydrophobicContact CD1-CG 4.3Å; F298-L300 HydrophobicContact CE1-CD2 3.95Å
299V93.8Very high84.9Confident7 Ų773 Ų734%0.04237%0.365CS..  trans-88.1111179.6-172.90000108.2T56 L273 Q290T56-V299 HydrophobicContact CG2-CG1 3.77Å; L273-V299 HydrophobicContact CB-CG1 4.17Å; L273-V299 HydrophobicContact CB-CG2 4.25Å; L273-V299 HydrophobicContact CD1-CG2 4.01Å; L273-V299 HydrophobicContact CD2-CG1 3.93Å; L273-V299 HydrophobicContact CD2-CG2 4.31Å; L273-V299 HydrophobicContact CG-CG2 4.41Å; Q290-V299 PolarHBondContact O-N 3.32Å
300L92.1Very high82.6Confident101 Ų10179.5 Ų79.553%0.52940%0.396SS..  trans-88.2-43.6179-63.4175.5000111.6P57 L274 P275 F298P57-L300 VanDerWaalsContact CD-O 3.28Å; P57-L300 WeakPolarHBondContact CD-O 2.98Å; P57-L300 WeakPolarHBondContact CG-O 3.45Å; L274-L300 PolarHBondContact O-N 2.79Å; P275-L300 HydrophobicContact CG-CD1 4.36Å; F298-L300 HydrophobicContact CD1-CD2 3.61Å; F298-L300 HydrophobicContact CD1-CG 4.3Å; F298-L300 HydrophobicContact CE1-CD2 3.95Å
301E92.7Very high79.9Confident76 Ų7686.7 Ų86.736%0.35544%0.435SS..EExtended strand (participates in β ladder)trans-142162.7-177.4-70.3173.5-173.900108.9P57 K59 L274P57-E301 HydrophobicContact CG-CG 4.02Å; P57-E301 WeakPolarHBondContact O-CA 3.33Å; K59-E301 IonicContact NZ-OE2 3.16Å; L274-E301 HydrophobicContact CB-CB 4.08Å; L274-E301 WeakPolarHBondContact CB-O 3Å; L274-E301 HydrophobicContact CD1-CB 4.07Å; L274-E301 PolarHBondContact N-O 2.77Å
302S92.5Very high79.3Confident0 Ų086.2 Ų86.20%043%0.434CS..EExtended strand (participates in β ladder)trans-143.2160.2170.174.30000111.8P57 E58 K59 V272 M286P57-S302 PolarHBondContact O-N 3.5Å; P57-S302 VanDerWaalsContact O-N 3.1Å; E58-S302 CarbonylContact C-O 3.5Å; E58-S302 WeakPolarHBondContact CA-O 3.17Å; K59-S302 PolarHBondContact N-O 2.84Å; V272-S302 WeakPolarHBondContact O-CA 3.08Å; V272-S302 WeakPolarHBondContact O-CB 3.34Å; M286-S302 WeakPolarHBondContact CE-OG 3.21Å
303F92.1Very high78.6Confident28 Ų2890.6 Ų90.612%0.12346%0.456CS..EExtended strand (participates in β ladder)trans-139.1155.9170.266.1-94000111.1K59 M61 L227 R271 V272 L274K59-F303 HydrophobicContact CB-CB 4.46Å; K59-F303 WeakPolarHBondContact O-CB 3.32Å; M61-F303 HydrophobicContact CB-CD2 3.94Å; M61-F303 HydrophobicContact CG-CD2 4.09Å; M61-F303 HydrophobicContact CG-CE2 4.25Å; M61-F303 HydrophobicContact SD-CD2 3.8Å; M61-F303 HydrophobicContact SD-CE2 3.63Å; L227-F303 HydrophobicContact CD1-CZ 4.22Å; L227-F303 HydrophobicContact CD2-CZ 4.16Å; R271-F303 WeakPolarHBondContact CA-O 3.37Å; V272-F303 HydrophobicContact CB-CD1 3.96Å; V272-F303 HydrophobicContact CB-CD2 4.17Å; V272-F303 HydrophobicContact CB-CE1 3.55Å; V272-F303 HydrophobicContact CB-CE2 3.78Å; V272-F303 HydrophobicContact CB-CG 4.25Å; V272-F303 HydrophobicContact CB-CZ 3.46Å; V272-F303 VanDerWaalsContact CB-CZ 3.46Å; V272-F303 HydrophobicContact CG1-CD1 4.35Å; V272-F303 HydrophobicContact CG1-CE1 3.57Å; V272-F303 HydrophobicContact CG1-CE2 4.39Å; V272-F303 HydrophobicContact CG1-CZ 3.6Å; V272-F303 HydrophobicContact CG2-CD2 4.06Å; V272-F303 HydrophobicContact CG2-CE1 4.12Å; V272-F303 HydrophobicContact CG2-CE2 3.44Å; V272-F303 VanDerWaalsContact CG2-CE2 3.44Å; V272-F303 HydrophobicContact CG2-CZ 3.48Å; V272-F303 VanDerWaalsContact CG2-CZ 3.48Å; V272-F303 PolarHBondContact N-O 3.15Å; V272-F303 PolarHBondContact O-N 2.87Å; V272-F303 VanDerWaalsContact O-N 3.14Å; L274-F303 HydrophobicContact CD1-CD1 4.16Å; L274-F303 HydrophobicContact CD1-CE1 4.46Å; L274-F303 HydrophobicContact CD2-CE1 4.14Å; L274-F303 HydrophobicContact CG-CD1 4.31Å; L274-F303 HydrophobicContact CG-CE1 4.37Å
304S90.4Very high77.8Confident19 Ų1992.7 Ų92.713%0.13346%0.462CS..EExtended strand (participates in β ladder)trans-75.1130.2174.91780000111.1M61 S270 R306M61-S304 WeakPolarHBondContact CE-O 3.44Å; S270-S304 CarbonylContact O-C 3.43Å; S270-S304 WeakPolarHBondContact O-CA 3Å; S304-R306 PolarHBondContact O-N 2.65Å; S304-R306 PolarHBondContact OG-N 2.82Å; S304-R306 PolarHBondContact OG-O 3.15Å
305L84.8Confident76.9Confident41 Ų4193.4 Ų93.422%0.21547%0.465CS..SBendtrans-64-28.7174.7-87.5179.5000113.1M61 L227 M229 V269 S270 V272 A279M61-L305 WeakPolarHBondContact CE-O 3.21Å; L227-L305 HydrophobicContact CD1-CD2 4.03Å; M229-L305 HydrophobicContact CE-CD1 4.12Å; V269-L305 HydrophobicContact CG1-CD1 3.81Å; S270-L305 PolarHBondContact O-N 3.02Å; V272-L305 HydrophobicContact CG2-CD2 3.28Å; V272-L305 HydrophobicContact CG2-CG 3.58Å; A279-L305 HydrophobicContact CB-CD1 3.83Å; A279-L305 HydrophobicContact CB-CD2 4.22Å; A279-L305 HydrophobicContact CB-CG 4.23Å
306R74.9Confident75.9Confident172 Ų17295.8 Ų95.865%0.64947%0.47SS*.SBendtrans-102.4126.2176.4-66.6-177.6-176168.80.7107.6S304 T308S304-R306 PolarHBondContact O-N 2.65Å; S304-R306 PolarHBondContact OG-N 2.82Å; S304-R306 PolarHBondContact OG-O 3.15Å; R306-T308 PolarHBondContact O-N 2.82Å; R306-T308 VanDerWaalsContact O-N 3.13Å
307P57.5Low74.7Confident71 Ų7188.1 Ų88.146%0.46145%0.449SS..  trans-55.7123.2168.4-14.125.1000107.6M61 L309M61-P307 HydrophobicContact CE-CG 3.8Å; P307-L309 PolarHBondContact O-N 3.17Å
308T51.8Low73.3Confident112 Ų11291.9 Ų91.969%0.68746%0.46SS*.  trans-60.9109.316029.20000106.1R306 Q310R306-T308 PolarHBondContact O-N 2.82Å; R306-T308 VanDerWaalsContact O-N 3.13Å; T308-Q310 VanDerWaalsContact C-N 3.32Å; T308-Q310 PolarHBondContact O-N 2.99Å
309L40.7Very low71.7Confident158 Ų15891.9 Ų91.983%0.82747%0.465SS*.  trans-55.8103.2164.6-73.9164.9000106.1P307 I311P307-L309 PolarHBondContact O-N 3.17Å; L309-I311 PolarHBondContact O-N 3.43Å; L309-I311 VanDerWaalsContact O-N 3.11Å
310Q36.1Very low69.9Low180 Ų18099 Ų9984%0.84150%0.5SS*.  trans-69.9103.8164.3-74.5-174.5-19.900105.4T308T308-Q310 VanDerWaalsContact C-N 3.32Å; T308-Q310 PolarHBondContact O-N 2.99Å
311I33.2Very low67.9Low230 Ų23098.8 Ų98.8100%1.17950%0.497SS*.  trans-73.80167.9-57.2175.3000108L309L309-I311 PolarHBondContact O-N 3.43Å; L309-I311 VanDerWaalsContact O-N 3.11Å

Retrieved 311 of 311 residues in 166.4 ms (Link to these results)