A0A087XM36_POEFO Loading...

protein-serine/threonine phosphatase

Serine/threonine protein phosphatase that may dephosphorylate and activate lipins. Lipins are phosphatidate phosphatases that catalyze the conversion of phosphatidic acid to diacylglycerol and control the metabolism of fatty acids at different levels. May indirectly modulate the lipid composition of nuclear and/or endoplasmic reticulum membranes and be required for proper nuclear membrane morphology and/or dynamics. May also indirectly regulate the production of lipid droplets and triacylglycerol. May antagonize BMP signaling.

AlphaFold DB , UniProt , Accession A0A087XM36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.2Low63.1Low203 Ų203129.6 Ų129.6100%165%0.646SS**  0-37.30-153.1149.164.800113.8
2N61.3Low63.7Low131 Ų131122.1 Ų122.170%0.70163%0.625SS**Hα-helixtrans-68.5-37.9-179.8-79.1-10.5000115.1L4 K5 T6N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.06Å; N2-K5 PolarHBondContact O-N 2.62Å; N2-T6 PolarHBondContact O-N 2.96Å; N2-T6 VanDerWaalsContact O-N 3.15Å; N2-T6 PolarHBondContact O-OG1 3.31Å
3M56Low64.8Low136 Ų136119.8 Ų119.867%0.6761%0.614SS**Hα-helixtrans-67.5-28.8-173.7-153.5-172.766.100114.4R7M3-R7 PolarHBondContact O-N 3.27Å
4L59.3Low65.4Low123 Ų123124.4 Ų124.464%0.64462%0.62SS**Hα-helixtrans-73-40.1174.9-100.5116.1000112.3N2 R7 Q8N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.06Å; L4-R7 PolarHBondContact O-N 3.15Å; L4-Q8 PolarHBondContact O-N 2.96Å
5K61.3Low66Low143 Ų143121.9 Ų121.962%0.62261%0.614SS**Hα-helixtrans-64.4-40.7175.7-77.6-174.6176-177.50111.6N2 Q8 C9N2-K5 PolarHBondContact O-N 2.62Å; K5-Q8 PolarHBondContact O-N 2.89Å; K5-C9 WeakPolarHBondContact O-CB 3.4Å; K5-C9 PolarHBondContact O-N 3.2Å
6T67.4Low67Low82 Ų82123.1 Ų123.150%0.50361%0.614SS.*Hα-helixtrans-64.6-41.4176.9-41.70000111.7N2 C9 L10N2-T6 PolarHBondContact O-N 2.96Å; N2-T6 VanDerWaalsContact O-N 3.15Å; N2-T6 PolarHBondContact O-OG1 3.31Å; T6-C9 PolarHBondContact O-N 3.09Å; T6-L10 HydrophobicContact CG2-CD1 4.3Å; T6-L10 WeakPolarHBondContact O-CB 3.27Å; T6-L10 PolarHBondContact O-N 2.7Å
7R64.4Low67.7Low181 Ų181121.8 Ų121.868%0.68361%0.609SS**Hα-helixtrans-65.4-41.6175.3-82.5-174.5162.8-166.5-3.7112.9M3 L4 L11M3-R7 PolarHBondContact O-N 3.27Å; L4-R7 PolarHBondContact O-N 3.15Å; R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 PolarHBondContact O-N 3.48Å
8Q64.2Low68.1Low133 Ų133116.9 Ų116.962%0.62160%0.595SS**Hα-helixtrans-64.7-39.5175.1-81.2176.3-24.200112.4L4 K5 L11 G12L4-Q8 PolarHBondContact O-N 2.96Å; K5-Q8 PolarHBondContact O-N 2.89Å; Q8-L11 PolarHBondContact O-N 3.1Å; Q8-G12 PolarHBondContact O-N 3.23Å
9C70.1Confident68.8Low79 Ų79114.6 Ų114.653%0.53459%0.587SS.*Hα-helixtrans-65.9-45.1176.3-167.80000112.1K5 T6 L11 G12 I13K5-C9 WeakPolarHBondContact O-CB 3.4Å; K5-C9 PolarHBondContact O-N 3.2Å; T6-C9 PolarHBondContact O-N 3.09Å; C9-L11 VanDerWaalsContact C-N 3.32Å; C9-L11 PolarHBondContact O-N 3.28Å; C9-G12 PolarHBondContact O-N 3.02Å; C9-I13 WeakPolarHBondContact O-CG1 3.49Å; C9-I13 PolarHBondContact O-N 3.17Å
10L67.9Low69.7Low98 Ų98111.6 Ų111.651%0.51357%0.574SS.*Hα-helixtrans-60.9-38.7173.8-100.4146.3000112.7T6 R14T6-L10 HydrophobicContact CG2-CD1 4.3Å; T6-L10 WeakPolarHBondContact O-CB 3.27Å; T6-L10 PolarHBondContact O-N 2.7Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 3.32Å
11L67.6Low70.3Confident117 Ų117110 Ų11061%0.61357%0.573SS**Hα-helixtrans-64.1-48.1174.2-152.678.6000110R7 Q8 C9 I13 R14 T15R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 PolarHBondContact O-N 3.48Å; Q8-L11 PolarHBondContact O-N 3.1Å; C9-L11 VanDerWaalsContact C-N 3.32Å; C9-L11 PolarHBondContact O-N 3.28Å; L11-I13 PolarHBondContact O-N 3.28Å; L11-R14 WeakPolarHBondContact O-CB 3.48Å; L11-R14 PolarHBondContact O-N 2.99Å; L11-R14 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-N 3.14Å; L11-T15 PolarHBondContact O-OG1 2.62Å
12G71.3Confident71.7Confident39 Ų39110 Ų11040%0.40256%0.562SS.*Hα-helixtrans-57.3-42.8176.700000113.8Q8 C9 T15 F16Q8-G12 PolarHBondContact O-N 3.23Å; C9-G12 PolarHBondContact O-N 3.02Å; G12-T15 PolarHBondContact O-N 3.07Å; G12-F16 VanDerWaalsContact O-CB 3.28Å; G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.45Å
13I77.4Confident72.9Confident92 Ų92109 Ų10947%0.47256%0.555SS.*Hα-helixtrans-64.7-43.1175-67.2166.7000110.9C9 L11 F16 L17C9-I13 WeakPolarHBondContact O-CG1 3.49Å; C9-I13 PolarHBondContact O-N 3.17Å; L11-I13 PolarHBondContact O-N 3.28Å; I13-F16 PolarHBondContact O-N 3.02Å; I13-L17 HydrophobicContact CG2-CD1 3.81Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.21Å; I13-L17 PolarHBondContact O-N 3.47Å
14R72.9Confident74.3Confident185 Ų185110.1 Ų110.170%0.69855%0.552SS**Hα-helixtrans-63.4-42.5175.9-81.3-178.1168.5-177-3112.2L10 L11 G18L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 3.32Å; L11-R14 WeakPolarHBondContact O-CB 3.48Å; L11-R14 PolarHBondContact O-N 2.99Å; L11-R14 VanDerWaalsContact O-N 3.13Å; R14-G18 PolarHBondContact O-N 2.99Å
15T74.9Confident75.4Confident86 Ų86106.2 Ų106.253%0.52854%0.541SS..Hα-helixtrans-65.5-42.7176.8-33.10000110.5L11 G12 G18 V19L11-T15 PolarHBondContact O-N 3.14Å; L11-T15 PolarHBondContact O-OG1 2.62Å; G12-T15 PolarHBondContact O-N 3.07Å; T15-G18 PolarHBondContact O-N 3.19Å; T15-V19 WeakPolarHBondContact O-CB 3.42Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.46Å; T15-V19 PolarHBondContact O-N 3.25Å
16F81.8Confident76.5Confident141 Ų141105.8 Ų105.862%0.61854%0.54SS*.Hα-helixtrans-61.2-49.6175.7-178-100.2000111.7G12 I13 G18 V19 T20G12-F16 VanDerWaalsContact O-CB 3.28Å; G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.45Å; I13-F16 PolarHBondContact O-N 3.02Å; F16-G18 VanDerWaalsContact C-N 3.3Å; F16-G18 PolarHBondContact O-N 3.29Å; F16-V19 PolarHBondContact O-N 3.09Å; F16-T20 HydrophobicContact CD1-CG2 4.14Å; F16-T20 HydrophobicContact CD2-CG2 4.47Å; F16-T20 HydrophobicContact CE1-CG2 3.77Å; F16-T20 HydrophobicContact CE2-CG2 4.13Å; F16-T20 HydrophobicContact CG-CG2 4.48Å; F16-T20 HydrophobicContact CZ-CG2 3.77Å; F16-T20 WeakPolarHBondContact O-CG2 3.27Å; F16-T20 PolarHBondContact O-N 2.91Å; F16-T20 PolarHBondContact O-OG1 3.11Å
17L79.6Confident77.5Confident102 Ų102107.2 Ų107.253%0.53454%0.539SS..Hα-helixtrans-60.2-37.6175.5-72.9170.5000112.5I13 T20 S21I13-L17 HydrophobicContact CG2-CD1 3.81Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.21Å; I13-L17 PolarHBondContact O-N 3.47Å; L17-T20 WeakPolarHBondContact CA-OG1 3.2Å; L17-T20 PolarHBondContact O-OG1 3.27Å; L17-T20 VanDerWaalsContact O-OG1 3.05Å; L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.48Å
18G75.1Confident78.5Confident34 Ų34101 Ų10135%0.35152%0.518SS..Hα-helixtrans-66.7-41.217500000112.7R14 T15 F16 R22R14-G18 PolarHBondContact O-N 2.99Å; T15-G18 PolarHBondContact O-N 3.19Å; F16-G18 VanDerWaalsContact C-N 3.3Å; F16-G18 PolarHBondContact O-N 3.29Å; G18-R22 WeakPolarHBondContact O-CG 3.42Å; G18-R22 PolarHBondContact O-N 3.11Å; G18-R22 VanDerWaalsContact O-N 3.07Å
19V81.3Confident79.4Confident73 Ų7399.2 Ų99.244%0.44251%0.506SS..Hα-helixtrans-68.2-46.2176.51710000110.8T15 F16 S21 R22 I23T15-V19 WeakPolarHBondContact O-CB 3.42Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.46Å; T15-V19 PolarHBondContact O-N 3.25Å; F16-V19 PolarHBondContact O-N 3.09Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 3.38Å; V19-R22 PolarHBondContact O-N 3.35Å; V19-I23 HydrophobicContact CG1-CD1 3.71Å; V19-I23 HydrophobicContact CG1-CG1 4.37Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 2.89Å
20T85.6Confident80.1Confident53 Ų5398.1 Ų98.133%0.32550%0.495SS..Hα-helixtrans-63.6-38.9177.257.30000111.7F16 L17 R22 I23 W24F16-T20 HydrophobicContact CD1-CG2 4.14Å; F16-T20 HydrophobicContact CD2-CG2 4.47Å; F16-T20 HydrophobicContact CE1-CG2 3.77Å; F16-T20 HydrophobicContact CE2-CG2 4.13Å; F16-T20 HydrophobicContact CG-CG2 4.48Å; F16-T20 HydrophobicContact CZ-CG2 3.77Å; F16-T20 WeakPolarHBondContact O-CG2 3.27Å; F16-T20 PolarHBondContact O-N 2.91Å; F16-T20 PolarHBondContact O-OG1 3.11Å; L17-T20 WeakPolarHBondContact CA-OG1 3.2Å; L17-T20 PolarHBondContact O-OG1 3.27Å; L17-T20 VanDerWaalsContact O-OG1 3.05Å; T20-R22 PolarHBondContact O-N 3.3Å; T20-I23 PolarHBondContact O-N 3.1Å; T20-W24 VanDerWaalsContact O-CB 3.26Å; T20-W24 WeakPolarHBondContact O-CB 3.37Å; T20-W24 PolarHBondContact O-N 2.52Å
21S83.7Confident81Confident80 Ų8096.7 Ų96.756%0.55949%0.487SS*.Hα-helixtrans-60.5-42.4173.2177.50000112.3L17 V19 W24 G25L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.48Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 3.38Å; S21-W24 PolarHBondContact O-N 2.86Å; S21-G25 PolarHBondContact O-N 3.1Å
22R82.6Confident81.7Confident202 Ų20297 Ų9776%0.76248%0.48SS*.Hα-helixtrans-66.9-42.7175.9-73.8178.2-176.9-173.61.9112.4G18 V19 T20 G25 F26G18-R22 WeakPolarHBondContact O-CG 3.42Å; G18-R22 PolarHBondContact O-N 3.11Å; G18-R22 VanDerWaalsContact O-N 3.07Å; V19-R22 PolarHBondContact O-N 3.35Å; T20-R22 PolarHBondContact O-N 3.3Å; R22-G25 PolarHBondContact O-N 3.43Å; R22-F26 WeakPolarHBondContact O-CB 3.49Å; R22-F26 PolarHBondContact O-N 3.34Å
23I87.7Confident82.1Confident109 Ų109100 Ų10056%0.55948%0.483SS*.Hα-helixtrans-62.8-45.1176.5-67.7167.6000110.1V19 T20 F26 F27V19-I23 HydrophobicContact CG1-CD1 3.71Å; V19-I23 HydrophobicContact CG1-CG1 4.37Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 2.89Å; T20-I23 PolarHBondContact O-N 3.1Å; I23-F26 PolarHBondContact O-N 2.78Å; I23-F27 WeakPolarHBondContact O-CB 3.48Å; I23-F27 PolarHBondContact O-N 3.43Å
24W84.9Confident82.3Confident161 Ų161100.9 Ų100.961%0.6148%0.484SS*.Hα-helixtrans-62.3-43.1175.7-175.7-108000112T20 S21 F26 F27 M28T20-W24 VanDerWaalsContact O-CB 3.26Å; T20-W24 WeakPolarHBondContact O-CB 3.37Å; T20-W24 PolarHBondContact O-N 2.52Å; S21-W24 PolarHBondContact O-N 2.86Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 2.75Å; W24-F27 HydrophobicContact CZ3-CD1 4.41Å; W24-F27 PolarHBondContact O-N 3.24Å; W24-M28 HydrophobicContact CD2-CE 4.29Å; W24-M28 HydrophobicContact CD2-CG 4.43Å; W24-M28 VanDerWaalsContact CE2-CE 3.46Å; W24-M28 HydrophobicContact CH2-CE 3.5Å; W24-M28 HydrophobicContact CZ2-CE 3.05Å; W24-M28 HydrophobicContact CZ3-CE 4.26Å; W24-M28 WeakPolarHBondContact O-CB 3.4Å; W24-M28 WeakPolarHBondContact O-CG 3.48Å; W24-M28 PolarHBondContact O-N 3.14Å
25G82.7Confident82.7Confident40 Ų4096.2 Ų96.241%0.41247%0.472SS..Hα-helixtrans-60.1-42.2174.200000112.4S21 R22 M28 Y29S21-G25 PolarHBondContact O-N 3.1Å; R22-G25 PolarHBondContact O-N 3.43Å; G25-M28 PolarHBondContact O-N 3.11Å; G25-Y29 WeakPolarHBondContact O-CB 3.46Å; G25-Y29 PolarHBondContact O-N 2.79Å
26F84.2Confident82.7Confident135 Ų13593.5 Ų93.559%0.59245%0.453SS*.Hα-helixtrans-65.2-45.6174.7-178.8-101.9000112R22 I23 W24 M28 Y29 I30R22-F26 WeakPolarHBondContact O-CB 3.49Å; R22-F26 PolarHBondContact O-N 3.34Å; I23-F26 PolarHBondContact O-N 2.78Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 2.75Å; F26-M28 PolarHBondContact O-N 2.95Å; F26-Y29 WeakPolarHBondContact O-CB 3.35Å; F26-Y29 PolarHBondContact O-N 2.9Å; F26-I30 HydrophobicContact CD1-CG1 4.31Å; F26-I30 HydrophobicContact CE1-CD1 4.46Å; F26-I30 HydrophobicContact CE1-CG1 3.91Å; F26-I30 HydrophobicContact CE2-CD1 4.33Å; F26-I30 HydrophobicContact CE2-CG1 4.32Å; F26-I30 HydrophobicContact CZ-CD1 4Å; F26-I30 HydrophobicContact CZ-CG1 3.92Å; F26-I30 WeakPolarHBondContact O-CG1 3.29Å; F26-I30 PolarHBondContact O-N 3.11Å
27F88.6Confident82.2Confident111 Ų11189.6 Ų89.649%0.48744%0.44SS..Hα-helixtrans-59.7-45.9175.6179.4-97.5000111.6I23 W24 Y29 I30 L31I23-F27 WeakPolarHBondContact O-CB 3.48Å; I23-F27 PolarHBondContact O-N 3.43Å; W24-F27 HydrophobicContact CZ3-CD1 4.41Å; W24-F27 PolarHBondContact O-N 3.24Å; F27-Y29 VanDerWaalsContact C-N 3.32Å; F27-Y29 PolarHBondContact O-N 2.73Å; F27-I30 PolarHBondContact O-N 3.17Å; F27-L31 HydrophobicContact CE1-CD2 4.37Å; F27-L31 WeakPolarHBondContact O-CB 3.25Å; F27-L31 PolarHBondContact O-N 2.92Å
28M85.3Confident82Confident51 Ų5188.9 Ų88.925%0.25144%0.436SS..Hα-helixtrans-63.4-36.8176.4-76.5-64.5165.500112.6W24 G25 F26 L31 R32W24-M28 HydrophobicContact CD2-CE 4.29Å; W24-M28 HydrophobicContact CD2-CG 4.43Å; W24-M28 VanDerWaalsContact CE2-CE 3.46Å; W24-M28 HydrophobicContact CH2-CE 3.5Å; W24-M28 HydrophobicContact CZ2-CE 3.05Å; W24-M28 HydrophobicContact CZ3-CE 4.26Å; W24-M28 WeakPolarHBondContact O-CB 3.4Å; W24-M28 WeakPolarHBondContact O-CG 3.48Å; W24-M28 PolarHBondContact O-N 3.14Å; G25-M28 PolarHBondContact O-N 3.11Å; F26-M28 PolarHBondContact O-N 2.95Å; M28-L31 HydrophobicContact SD-CD2 4.16Å; M28-R32 VanDerWaalsContact O-CB 3.31Å; M28-R32 WeakPolarHBondContact O-CB 3.36Å; M28-R32 WeakPolarHBondContact O-CG 3.34Å; M28-R32 PolarHBondContact O-N 2.9Å
29Y82.4Confident81.8Confident95 Ų9591 Ų9137%0.37344%0.439SS..Hα-helixtrans-60.7-49172.4169.4-87.4000111.3G25 F26 F27 R32 K33 P93G25-Y29 WeakPolarHBondContact O-CB 3.46Å; G25-Y29 PolarHBondContact O-N 2.79Å; F26-Y29 WeakPolarHBondContact O-CB 3.35Å; F26-Y29 PolarHBondContact O-N 2.9Å; F27-Y29 VanDerWaalsContact C-N 3.32Å; F27-Y29 PolarHBondContact O-N 2.73Å; Y29-R32 PolarHBondContact O-N 2.71Å; Y29-K33 WeakPolarHBondContact O-CB 3.4Å; Y29-K33 PolarHBondContact O-N 2.91Å; Y29-P93 HydrophobicContact CD2-CB 3.69Å; Y29-P93 HydrophobicContact CD2-CG 4.49Å; Y29-P93 HydrophobicContact CE2-CB 3.22Å; Y29-P93 HydrophobicContact CE2-CG 4.32Å
30I85.6Confident81Confident56 Ų5689.5 Ų89.529%0.28743%0.427SS..Hα-helixtrans-61.8-48.1178-66.2-63.4000110.4F26 F27 R32 K33 H34F26-I30 HydrophobicContact CD1-CG1 4.31Å; F26-I30 HydrophobicContact CE1-CD1 4.46Å; F26-I30 HydrophobicContact CE1-CG1 3.91Å; F26-I30 HydrophobicContact CE2-CD1 4.33Å; F26-I30 HydrophobicContact CE2-CG1 4.32Å; F26-I30 HydrophobicContact CZ-CD1 4Å; F26-I30 HydrophobicContact CZ-CG1 3.92Å; F26-I30 WeakPolarHBondContact O-CG1 3.29Å; F26-I30 PolarHBondContact O-N 3.11Å; F27-I30 PolarHBondContact O-N 3.17Å; I30-R32 PolarHBondContact O-N 3.17Å; I30-K33 WeakPolarHBondContact O-CB 3.25Å; I30-K33 PolarHBondContact O-N 2.66Å; I30-H34 VanDerWaalsContact CG2-CD2 3.47Å; I30-H34 WeakPolarHBondContact CG2-CD2 3.41Å; I30-H34 PolarHBondContact O-CD2 3.17Å; I30-H34 PolarHBondContact O-N 3.37Å
31L86.5Confident79.9Confident68 Ų6896.2 Ų96.236%0.35645%0.448SS..Hα-helixtrans-58.3-49.6178.1-178.865.1000111.9F27 M28 K33 H34 L35F27-L31 HydrophobicContact CE1-CD2 4.37Å; F27-L31 WeakPolarHBondContact O-CB 3.25Å; F27-L31 PolarHBondContact O-N 2.92Å; M28-L31 HydrophobicContact SD-CD2 4.16Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.28Å; L31-H34 PolarHBondContact O-N 3.47Å; L31-L35 HydrophobicContact CD1-CD1 4.17Å; L31-L35 HydrophobicContact CD1-CG 4.24Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.4Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.27Å; L31-L35 PolarHBondContact O-N 2.8Å
32R81.9Confident78.7Confident124 Ų124100 Ų10047%0.46846%0.456SS..Hα-helixtrans-59.7-41.3177.6-75.5175.9-173.8-159.4-0.5111.9M28 Y29 I30 R36 P90 G91M28-R32 VanDerWaalsContact O-CB 3.31Å; M28-R32 WeakPolarHBondContact O-CB 3.36Å; M28-R32 WeakPolarHBondContact O-CG 3.34Å; M28-R32 PolarHBondContact O-N 2.9Å; Y29-R32 PolarHBondContact O-N 2.71Å; I30-R32 PolarHBondContact O-N 3.17Å; R32-R36 WeakPolarHBondContact O-CB 3.31Å; R32-R36 PolarHBondContact O-N 3.12Å; R32-P90 PolarHBondContact NH1-O 2.78Å; R32-G91 PolarHBondContact NH1-O 2.76Å
33K79.3Confident77.6Confident103 Ų10394 Ų9445%0.44844%0.443SS..Hα-helixtrans-61-49.8177.1-173.3176.7179.6178.90110.9Y29 I30 L31 R36 T37 P93Y29-K33 WeakPolarHBondContact O-CB 3.4Å; Y29-K33 PolarHBondContact O-N 2.91Å; I30-K33 WeakPolarHBondContact O-CB 3.25Å; I30-K33 PolarHBondContact O-N 2.66Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.28Å; K33-R36 PolarHBondContact O-N 3.32Å; K33-T37 PolarHBondContact O-N 3.48Å; K33-T37 VanDerWaalsContact O-N 3.13Å; K33-T37 PolarHBondContact O-OG1 2.76Å; K33-T37 VanDerWaalsContact O-OG1 3.13Å; K33-P93 HydrophobicContact CB-CG 4.43Å
34H81.7Confident76.2Confident110 Ų11091.9 Ų91.951%0.50943%0.434SS..Hα-helixtrans-65.3-42.6178.9-74.2-68.2000113I30 L31 R36 T37 I38I30-H34 VanDerWaalsContact CG2-CD2 3.47Å; I30-H34 WeakPolarHBondContact CG2-CD2 3.41Å; I30-H34 PolarHBondContact O-CD2 3.17Å; I30-H34 PolarHBondContact O-N 3.37Å; L31-H34 PolarHBondContact O-N 3.47Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 3.24Å; H34-T37 WeakPolarHBondContact O-CB 3.42Å; H34-T37 PolarHBondContact O-N 2.88Å; H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 3.46Å
35L80.7Confident75.1Confident86 Ų8694.8 Ų94.845%0.4545%0.445SS..Hα-helixtrans-59.5-43176.5-73.9172.5000111.7L31 T37 I38 I39L31-L35 HydrophobicContact CD1-CD1 4.17Å; L31-L35 HydrophobicContact CD1-CG 4.24Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.4Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.27Å; L31-L35 PolarHBondContact O-N 2.8Å; L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 2.92Å; L35-I38 PolarHBondContact O-N 2.99Å; L35-I39 WeakPolarHBondContact O-CG1 3.4Å; L35-I39 PolarHBondContact O-N 2.63Å
36R74.8Confident74.6Confident30 Ų3095.2 Ų95.211%0.11344%0.435CS..Hα-helixtrans-60.8-44.4176.2-174.4177.9177-148.8-9.3111.4R32 K33 H34 I39 Q40 D95 K113R32-R36 WeakPolarHBondContact O-CB 3.31Å; R32-R36 PolarHBondContact O-N 3.12Å; K33-R36 PolarHBondContact O-N 3.32Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 3.24Å; R36-I39 PolarHBondContact O-N 3.13Å; R36-Q40 WeakPolarHBondContact O-CG 3.47Å; R36-Q40 PolarHBondContact O-N 3.13Å; R36-Q40 VanDerWaalsContact O-N 3.1Å; R36-D95 IonicContact CZ-OD1 3.63Å; R36-D95 IonicContact CZ-OD2 3.9Å; R36-D95 VanDerWaalsContact CZ-OD2 3.26Å; R36-D95 IonicContact NH1-OD1 2.84Å; R36-D95 PolarHBondContact NH1-OD1 3Å; R36-D95 IonicContact NH1-OD2 3.49Å; R36-D95 PolarHBondContact NH1-OD2 3.44Å; R36-D95 IonicContact NH2-OD1 3.33Å; R36-D95 IonicContact NH2-OD2 2.71Å; R36-D95 PolarHBondContact NH2-OD2 2.89Å; R36-K113 PolarHBondContact NH2-O 3.46Å
37T72.3Confident74.2Confident58 Ų5894.4 Ų94.436%0.35644%0.437SS..Hα-helixtrans-58.4-48.3174.4-55.70000110.8K33 H34 L35 I39 Q40 Y41K33-T37 PolarHBondContact O-N 3.48Å; K33-T37 VanDerWaalsContact O-N 3.13Å; K33-T37 PolarHBondContact O-OG1 2.76Å; K33-T37 VanDerWaalsContact O-OG1 3.13Å; H34-T37 WeakPolarHBondContact O-CB 3.42Å; H34-T37 PolarHBondContact O-N 2.88Å; L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 2.92Å; T37-I39 PolarHBondContact O-N 2.81Å; T37-Q40 PolarHBondContact O-N 2.87Å; T37-Y41 HydrophobicContact CG2-CD2 3.77Å; T37-Y41 HydrophobicContact CG2-CE2 3.73Å; T37-Y41 VanDerWaalsContact O-CD2 3.29Å; T37-Y41 WeakPolarHBondContact O-CD2 3.37Å; T37-Y41 PolarHBondContact O-N 3.28Å; T37-Y41 VanDerWaalsContact O-N 3.09Å
38I74.5Confident73.6Confident88 Ų8893.1 Ų93.145%0.45143%0.434SS..Hα-helixtrans-60.2-47.2-179.8-67.9165.5000111.8H34 L35 Q40 Y41 Q42H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 3.46Å; L35-I38 PolarHBondContact O-N 2.99Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.41Å; I38-Y41 PolarHBondContact O-N 3.5Å; I38-Y41 VanDerWaalsContact O-N 3.11Å; I38-Q42 HydrophobicContact CG2-CG 4.25Å; I38-Q42 PolarHBondContact O-N 2.86Å
39I70.9Confident73.6Confident79 Ų7997.3 Ų97.341%0.40546%0.456SS..Hα-helixtrans-58.3-42.7179.2-69.9166000110.8L35 R36 T37 Y41 Q42 T43L35-I39 WeakPolarHBondContact O-CG1 3.4Å; L35-I39 PolarHBondContact O-N 2.63Å; R36-I39 PolarHBondContact O-N 3.13Å; T37-I39 PolarHBondContact O-N 2.81Å; I39-Y41 VanDerWaalsContact C-N 3.34Å; I39-Y41 PolarHBondContact O-N 2.88Å; I39-Q42 PolarHBondContact O-N 2.81Å; I39-T43 PolarHBondContact O-OG1 2.86Å
40Q65.1Low73.8Confident41 Ų4198.3 Ų98.319%0.19248%0.475CS..Hα-helixtrans-64.2-35.3177.4-74.5177.8-15.500113R36 T37 I38 P115 H116R36-Q40 WeakPolarHBondContact O-CG 3.47Å; R36-Q40 PolarHBondContact O-N 3.13Å; R36-Q40 VanDerWaalsContact O-N 3.1Å; T37-Q40 PolarHBondContact O-N 2.87Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.41Å; Q40-P115 HydrophobicContact CG-CB 4.37Å; Q40-H116 PolarHBondContact O-CE1 3.12Å; Q40-H116 PolarHBondContact O-ND1 3.5Å
41Y62.5Low74Confident194 Ų19497.8 Ų97.876%0.76147%0.472SS*.Hα-helixtrans-80.7-26.4178.3-85.9-81.2000113.7T37 I38 I39T37-Y41 HydrophobicContact CG2-CD2 3.77Å; T37-Y41 HydrophobicContact CG2-CE2 3.73Å; T37-Y41 VanDerWaalsContact O-CD2 3.29Å; T37-Y41 WeakPolarHBondContact O-CD2 3.37Å; T37-Y41 PolarHBondContact O-N 3.28Å; T37-Y41 VanDerWaalsContact O-N 3.09Å; I38-Y41 PolarHBondContact O-N 3.5Å; I38-Y41 VanDerWaalsContact O-N 3.11Å; I39-Y41 VanDerWaalsContact C-N 3.34Å; I39-Y41 PolarHBondContact O-N 2.88Å
42Q58.8Low74.3Confident159 Ų15997.1 Ų97.174%0.74347%0.473SS*.Hα-helixtrans-79-21.8-176.1-84.8-167.3-39.300114.5I38 I39I38-Q42 HydrophobicContact CG2-CG 4.25Å; I38-Q42 PolarHBondContact O-N 2.86Å; I39-Q42 PolarHBondContact O-N 2.81Å
43T58.4Low75Confident77 Ų7795.5 Ų95.547%0.47248%0.479SS..SBendtrans-87.2-24.8-158.917.80000115.7I39I39-T43 PolarHBondContact O-OG1 2.86Å
44V58.4Low75.7Confident63 Ų6394.7 Ų94.738%0.38248%0.482SS..  trans-155.1130.2-179.2-1760000111.9T215 L218V44-T215 HydrophobicContact CG2-CG2 4.42Å; V44-L218 HydrophobicContact CB-CD1 3.42Å; V44-L218 VanDerWaalsContact CB-CD1 3.42Å; V44-L218 HydrophobicContact CG1-CD1 3.86Å; V44-L218 HydrophobicContact CG2-CD1 3.44Å; V44-L218 VanDerWaalsContact CG2-CD1 3.44Å
45R63.6Low76.3Confident222 Ų22291.1 Ų91.184%0.83847%0.47SS*.  trans-100116.6161.1-70-175.7-178168.60.9108.2
46Y71.2Confident76.9Confident50 Ų5092.8 Ų92.820%0.19647%0.47CS..  trans-98.798.9165.8-170.8-88.7000107.2I48 W127 L221 P222Y46-I48 HydrophobicContact CD1-CG1 4.46Å; Y46-I48 PolarHBondContact O-N 3.47Å; Y46-W127 AromaticContact CE1-CH2 3.87Å; Y46-W127 HydrophobicContact CE1-CH2 3.87Å; Y46-W127 HydrophobicContact CE1-CZ2 4.3Å; Y46-L221 HydrophobicContact CD1-CB 4.44Å; Y46-L221 HydrophobicContact CD1-CD1 3.95Å; Y46-L221 HydrophobicContact CD2-CB 3.85Å; Y46-L221 HydrophobicContact CD2-CD1 3.91Å; Y46-L221 HydrophobicContact CE1-CB 4.13Å; Y46-L221 HydrophobicContact CE1-CD1 4.4Å; Y46-L221 HydrophobicContact CE2-CB 3.48Å; Y46-L221 VanDerWaalsContact CE2-CB 3.48Å; Y46-L221 HydrophobicContact CE2-CD1 4.36Å; Y46-L221 HydrophobicContact CG-CB 4.32Å; Y46-L221 HydrophobicContact CG-CD1 3.69Å; Y46-P222 HydrophobicContact CE2-CG 3.89Å
47D76.6Confident77.8Confident118 Ų11896.6 Ų96.663%0.63149%0.493SS*.  trans-74.4116-179.4-65.4-35.7000109.4L49D47-L49 PolarHBondContact O-N 3.19Å
48I75.7Confident78.7Confident84 Ų84101.8 Ų101.843%0.43151%0.506SS..  trans-74.898.2174.4-54.6174.9000107.5Y46 V123Y46-I48 HydrophobicContact CD1-CG1 4.46Å; Y46-I48 PolarHBondContact O-N 3.47Å; I48-V123 HydrophobicContact CD1-CG2 4.04Å
49L83.9Confident79.6Confident138 Ų13899.4 Ų99.472%0.72349%0.494SS*.PPolyproline II helixtrans-75.8134.5176.5-62177.3000110.1D47 L51D47-L49 PolarHBondContact O-N 3.19Å; L49-L51 PolarHBondContact O-N 3.17Å
50P87.6Confident80.6Confident116 Ų116101.5 Ų101.575%0.75351%0.506SS*.PPolyproline II helixtrans-64.7138.8176.526.8-33.5000110.5S52P50-S52 PolarHBondContact O-N 3.18Å
51L89.7Confident81.9Confident45 Ų45103.6 Ų103.624%0.23653%0.53CS..PPolyproline II helixtrans-64.6136.9175.9-64.6-178.5000111.1L49 R56 L59 F229L49-L51 PolarHBondContact O-N 3.17Å; L51-R56 HydrophobicContact CB-CB 4.5Å; L51-R56 PolarHBondContact O-NH2 3.32Å; L51-R56 VanDerWaalsContact O-NH2 3.12Å; L51-L59 HydrophobicContact CD1-CD2 3.81Å; L51-F229 HydrophobicContact CD1-CZ 4.2Å; L51-F229 HydrophobicContact CD2-CZ 3.79Å
52S93.6Very high83.3Confident54 Ų5496.2 Ų96.238%0.37851%0.505SS..PPolyproline II helixtrans-60.7157.1166.777.80000110.6P50 V54 S55 R56P50-S52 PolarHBondContact O-N 3.18Å; S52-V54 PolarHBondContact O-N 3.36Å; S52-S55 PolarHBondContact O-N 3.4Å; S52-S55 VanDerWaalsContact O-N 3.14Å; S52-S55 PolarHBondContact OG-N 2.85Å; S52-S55 VanDerWaalsContact OG-N 3.11Å; S52-S55 PolarHBondContact OG-OG 3.39Å; S52-S55 VanDerWaalsContact OG-OG 3.12Å; S52-R56 PolarHBondContact O-N 3.36Å
53P95.3Very high84.8Confident90 Ų9095.1 Ų95.158%0.58450%0.498SS*.Hα-helixtrans-54.3-39.1175.7-2735.3000113R56 N57P53-R56 PolarHBondContact O-N 3.11Å; P53-N57 VanDerWaalsContact O-CG 3.3Å; P53-N57 PolarHBondContact O-N 3.47Å
54V94.7Very high86.6Confident86 Ų8698.7 Ų98.752%0.52150%0.503SS..Hα-helixtrans-64.9-47.1177.51790000111.1S52 R56 N57 R58S52-V54 PolarHBondContact O-N 3.36Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.29Å; V54-N57 PolarHBondContact O-N 2.93Å; V54-R58 WeakPolarHBondContact O-CG 3.33Å; V54-R58 PolarHBondContact O-N 2.7Å
55S93.4Very high88.4Confident36 Ų3695.9 Ų95.925%0.25249%0.485SS..Hα-helixtrans-63-40.6177.7-61.40000111.3S52 N57 R58 L59 F229S52-S55 PolarHBondContact O-N 3.4Å; S52-S55 VanDerWaalsContact O-N 3.14Å; S52-S55 PolarHBondContact OG-N 2.85Å; S52-S55 VanDerWaalsContact OG-N 3.11Å; S52-S55 PolarHBondContact OG-OG 3.39Å; S52-S55 VanDerWaalsContact OG-OG 3.12Å; S55-N57 PolarHBondContact O-N 3Å; S55-R58 PolarHBondContact O-N 3.41Å; S55-L59 WeakPolarHBondContact O-CB 3.35Å; S55-L59 PolarHBondContact O-N 3.33Å; S55-F229 WeakPolarHBondContact O-CE1 3.46Å
56R93.6Very high90.1Very high120 Ų12085.6 Ų85.645%0.45345%0.447SS..Hα-helixtrans-60.5-45.1176-169.2178.6-62.6121.96.7111.9L51 S52 P53 V54 R58 L59 N60L51-R56 HydrophobicContact CB-CB 4.5Å; L51-R56 PolarHBondContact O-NH2 3.32Å; L51-R56 VanDerWaalsContact O-NH2 3.12Å; S52-R56 PolarHBondContact O-N 3.36Å; P53-R56 PolarHBondContact O-N 3.11Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.29Å; R56-R58 PolarHBondContact O-N 2.95Å; R56-L59 PolarHBondContact O-N 2.88Å; R56-N60 VanDerWaalsContact O-CG 3.24Å; R56-N60 PolarHBondContact O-N 3.27Å; R56-N60 PolarHBondContact O-OD1 2.98Å
57N93.8Very high91.4Very high110 Ų11083.2 Ų83.259%0.58844%0.437SS*.Hα-helixtrans-62.9-41.9176.7-71.1-10000112.1P53 V54 S55 L59 N60 A61P53-N57 VanDerWaalsContact O-CG 3.3Å; P53-N57 PolarHBondContact O-N 3.47Å; V54-N57 PolarHBondContact O-N 2.93Å; S55-N57 PolarHBondContact O-N 3Å; N57-L59 VanDerWaalsContact C-N 3.35Å; N57-N60 PolarHBondContact O-N 3.49Å; N57-A61 PolarHBondContact O-N 3.28Å; N57-A61 VanDerWaalsContact O-N 3.17Å
58R92.5Very high92.5Very high168 Ų16877.6 Ų77.663%0.63441%0.407SS*.Hα-helixtrans-62.5-41.8174.8-72.6178.2179.6179.60.1112.2V54 S55 R56 N60 A61 F229V54-R58 WeakPolarHBondContact O-CG 3.33Å; V54-R58 PolarHBondContact O-N 2.7Å; S55-R58 PolarHBondContact O-N 3.41Å; R56-R58 PolarHBondContact O-N 2.95Å; R58-N60 VanDerWaalsContact C-N 3.33Å; R58-A61 WeakPolarHBondContact O-CB 3.49Å; R58-A61 PolarHBondContact O-N 3.36Å; R58-F229 HydrophobicContact CB-CD1 4.42Å
59L93.4Very high93.6Very high38 Ų3873.6 Ų73.620%0.19939%0.387CS..Hα-helixtrans-65.4-38.7177.8-172.463.5000111.6L51 S55 R56 N57 A61 V62 R228 F229L51-L59 HydrophobicContact CD1-CD2 3.81Å; S55-L59 WeakPolarHBondContact O-CB 3.35Å; S55-L59 PolarHBondContact O-N 3.33Å; R56-L59 PolarHBondContact O-N 2.88Å; N57-L59 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 3.44Å; L59-V62 HydrophobicContact CD1-CG2 4.09Å; L59-V62 VanDerWaalsContact O-CG2 3.24Å; L59-V62 WeakPolarHBondContact O-CG2 3.34Å; L59-V62 PolarHBondContact O-N 3.13Å; L59-R228 HydrophobicContact CD1-CB 3.79Å; L59-F229 HydrophobicContact CB-CD1 4.22Å; L59-F229 HydrophobicContact CB-CE1 3.81Å; L59-F229 HydrophobicContact CD1-CD1 4.34Å; L59-F229 HydrophobicContact CD1-CE1 4.3Å; L59-F229 HydrophobicContact CG-CE1 4.49Å
60N91.9Very high94.3Very high122 Ų12267.4 Ų67.465%0.65236%0.355SS*.Hα-helixtrans-66.6-21.9175.6-69.2-13.3000113R56 N57 R58 V62R56-N60 VanDerWaalsContact O-CG 3.24Å; R56-N60 PolarHBondContact O-N 3.27Å; R56-N60 PolarHBondContact O-OD1 2.98Å; N57-N60 PolarHBondContact O-N 3.49Å; R58-N60 VanDerWaalsContact C-N 3.33Å; N60-V62 VanDerWaalsContact C-N 3.31Å
61A91.9Very high94.8Very high86 Ų8661.9 Ų61.971%0.71132%0.319SS*.THydrogen-bonded Turntrans-81.2-10176.600000113.3N57 R58 L59N57-A61 PolarHBondContact O-N 3.28Å; N57-A61 VanDerWaalsContact O-N 3.17Å; R58-A61 WeakPolarHBondContact O-CB 3.49Å; R58-A61 PolarHBondContact O-N 3.36Å; L59-A61 PolarHBondContact O-N 3.44Å
62V90.8Very high95.2Very high38 Ų3860.7 Ų60.723%0.2331%0.313CS..SBendtrans-116.9153177.3-62.90000110.6L59 N60 R228L59-V62 HydrophobicContact CD1-CG2 4.09Å; L59-V62 VanDerWaalsContact O-CG2 3.24Å; L59-V62 WeakPolarHBondContact O-CG2 3.34Å; L59-V62 PolarHBondContact O-N 3.13Å; N60-V62 VanDerWaalsContact C-N 3.31Å; V62-R228 WeakPolarHBondContact CG2-O 3.23Å
63K90.9Very high95.4Very high136 Ų13659.9 Ų59.959%0.59130%0.303SS*.PPolyproline II helixtrans-68.3146.7177.1-62.3179.1-169.2168.40110.6K65 D181K63-K65 PolarHBondContact O-N 3.41Å; K63-D181 IonicContact NZ-OD2 2.76Å; K63-D181 PolarHBondContact NZ-OD2 3.31Å
64R95.4Very high95.5Very high153 Ų15355.6 Ų55.658%0.57728%0.275SS*.PPolyproline II helixtrans-62133.1164.7-170.3177.7-177.1178.2-1.7108.7S125 Y128R64-S125 PolarHBondContact NH2-O 3.32Å; R64-Y128 PolarHBondContact NH2-O 3.06Å
65K97.9Very high95.7Very high4 Ų451.5 Ų51.52%0.01725%0.25CS..EExtended strand (participates in β ladder)trans-92.8162-173.7-69171.4174.462.60111.4K63 Y128 E129 S184 L227 R228 T230 V233K63-K65 PolarHBondContact O-N 3.41Å; K65-Y128 HydrophobicContact CB-CD1 3.56Å; K65-Y128 HydrophobicContact CB-CE1 3.5Å; K65-Y128 HydrophobicContact CD-CE1 4.28Å; K65-Y128 CarbonylContact O-C 3.52Å; K65-Y128 VanDerWaalsContact O-CA 3.31Å; K65-Y128 WeakPolarHBondContact O-CA 3.39Å; K65-E129 PolarHBondContact O-N 3.38Å; K65-S184 CarbonylContact C-O 3.56Å; K65-S184 WeakPolarHBondContact CA-O 3.29Å; K65-S184 VanDerWaalsContact CB-O 3.32Å; K65-S184 WeakPolarHBondContact CB-O 3.35Å; K65-L227 WeakPolarHBondContact CD-O 3.2Å; K65-L227 WeakPolarHBondContact CE-O 3.39Å; K65-R228 PolarHBondContact NZ-O 2.93Å; K65-T230 VanDerWaalsContact CE-O 3.25Å; K65-T230 WeakPolarHBondContact CE-O 3.36Å; K65-T230 WeakPolarHBondContact CE-OG1 3.26Å; K65-T230 PolarHBondContact NZ-O 3.37Å; K65-V233 HydrophobicContact CD-CG1 3.51Å; K65-V233 VanDerWaalsContact CE-CG1 3.47Å; K65-V233 HydrophobicContact CG-CG1 4.45Å
66I98.8Very high95.9Very high5 Ų549.8 Ų49.83%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-103.5128.6176.5-58.8171.5000108.4V68 E129 V131 V178 H179 S184 I185 V186I66-V68 HydrophobicContact CG2-CG2 4.14Å; I66-E129 CarbonylContact C-O 3.59Å; I66-E129 WeakPolarHBondContact CA-O 3.32Å; I66-E129 HydrophobicContact CG1-CB 4.31Å; I66-V131 HydrophobicContact CG2-CB 4.24Å; I66-V131 HydrophobicContact CG2-CG2 3.56Å; I66-V178 HydrophobicContact CG2-CG1 4.09Å; I66-H179 HydrophobicContact CD1-CB 3.6Å; I66-S184 PolarHBondContact N-O 3.3Å; I66-I185 HydrophobicContact CB-CG1 4.41Å; I66-I185 HydrophobicContact CD1-CG1 4.44Å; I66-I185 WeakPolarHBondContact O-CA 3.35Å; I66-V186 PolarHBondContact O-N 3.2Å
67L98.9Very high96Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-108.8107.4170.7-178.462000108.8L69 F120 V124 Y128 E129 L130 V131 V186 L188 L224L67-L69 HydrophobicContact CD1-CD2 4.43Å; L67-L69 HydrophobicContact CD2-CD2 3.88Å; L67-L69 HydrophobicContact CG-CD2 3.78Å; L67-L69 HydrophobicContact CG-CG 4.2Å; L67-F120 HydrophobicContact CD2-CZ 4.31Å; L67-V124 HydrophobicContact CD2-CB 4.03Å; L67-V124 HydrophobicContact CD2-CG1 4.27Å; L67-V124 HydrophobicContact CD2-CG2 4.05Å; L67-Y128 HydrophobicContact CB-CD1 3.85Å; L67-Y128 HydrophobicContact CB-CD2 4.46Å; L67-Y128 HydrophobicContact CB-CG 3.77Å; L67-Y128 HydrophobicContact CD2-CD2 4.46Å; L67-E129 PolarHBondContact N-O 3.38Å; L67-L130 HydrophobicContact CB-CD2 3.96Å; L67-L130 HydrophobicContact CD2-CD2 4.14Å; L67-L130 HydrophobicContact CG-CD2 4.46Å; L67-V131 PolarHBondContact O-N 2.78Å; L67-V186 CarbonylContact C-O 3.55Å; L67-V186 WeakPolarHBondContact CA-O 3.36Å; L67-V186 HydrophobicContact CD1-CB 4Å; L67-V186 HydrophobicContact CD1-CG1 3.94Å; L67-L188 HydrophobicContact CD1-CB 4.49Å; L67-L224 HydrophobicContact CD1-CD2 4.11Å; L67-L224 HydrophobicContact CD2-CD1 4.29Å; L67-L224 HydrophobicContact CD2-CD2 4.42Å
68V98.9Very high96Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-82.4125.1173.8179.90000108.6I66 V131 F133 L175 V178 I185 V186 I187 L188I66-V68 HydrophobicContact CG2-CG2 4.14Å; V68-V131 CarbonylContact C-O 3.5Å; V68-V131 WeakPolarHBondContact CA-O 3.48Å; V68-V131 HydrophobicContact CG2-CB 4.21Å; V68-V131 HydrophobicContact CG2-CG1 4.43Å; V68-F133 HydrophobicContact CG1-CB 3.39Å; V68-F133 HydrophobicContact CG1-CD1 4.2Å; V68-F133 HydrophobicContact CG1-CG 4.31Å; V68-L175 HydrophobicContact CG1-CD2 4.43Å; V68-L175 HydrophobicContact CG2-CD2 4.21Å; V68-V178 HydrophobicContact CG2-CG1 4.13Å; V68-V178 HydrophobicContact CG2-CG2 4.36Å; V68-I185 HydrophobicContact CG2-CG2 3.75Å; V68-V186 PolarHBondContact N-O 3.17Å; V68-I187 HydrophobicContact CB-CB 4.13Å; V68-I187 HydrophobicContact CB-CG1 4.18Å; V68-I187 HydrophobicContact CG1-CB 4.44Å; V68-I187 HydrophobicContact CG1-CD1 4.07Å; V68-I187 HydrophobicContact CG1-CG1 4.01Å; V68-I187 WeakPolarHBondContact O-CA 3.39Å; V68-L188 PolarHBondContact O-N 2.89Å
69L98.9Very high95.8Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-117.7122.2-173.9-62.9171.1000109.8L67 L75 F120 L121 L130 V131 F133 L155 L188L67-L69 HydrophobicContact CD1-CD2 4.43Å; L67-L69 HydrophobicContact CD2-CD2 3.88Å; L67-L69 HydrophobicContact CG-CD2 3.78Å; L67-L69 HydrophobicContact CG-CG 4.2Å; L69-L75 HydrophobicContact CB-CD1 4.18Å; L69-L75 HydrophobicContact CD1-CD1 4.35Å; L69-F120 HydrophobicContact CD2-CE1 4.04Å; L69-F120 HydrophobicContact CD2-CZ 4.47Å; L69-L121 HydrophobicContact CD1-CD2 3.66Å; L69-L130 HydrophobicContact CD1-CB 4.39Å; L69-L130 HydrophobicContact CD1-CD1 4.34Å; L69-L130 HydrophobicContact CD1-CD2 4.37Å; L69-V131 PolarHBondContact N-O 2.83Å; L69-F133 PolarHBondContact O-N 3.04Å; L69-L155 HydrophobicContact CD1-CD2 4.35Å; L69-L188 HydrophobicContact CD2-CB 4.17Å; L69-L188 HydrophobicContact CD2-CD2 3.99Å
70D98.8Very high95.4Very high9 Ų934.9 Ų34.95%0.04818%0.178CC..  trans-71.9164161.9-176.455.6000111.7T74 L75 K173 L188 D189 N190D70-T74 HydrophobicContact CB-CG2 4.17Å; D70-T74 WeakPolarHBondContact OD2-CB 3.25Å; D70-T74 PolarHBondContact OD2-OG1 3.47Å; D70-L75 VanDerWaalsContact O-CG 3.32Å; D70-L75 WeakPolarHBondContact O-CG 3.17Å; D70-K173 VanDerWaalsContact CG-NZ 3.28Å; D70-K173 IonicContact OD1-NZ 3.48Å; D70-K173 PolarHBondContact OD1-NZ 2.81Å; D70-L188 PolarHBondContact N-O 2.76Å; D70-D189 HydrophobicContact CB-CB 4.11Å; D70-N190 PolarHBondContact OD2-OD1 3.48Å
71L98.6Very high94.5Very high0 Ų032.4 Ų32.40%017%0.165CC..  trans-107.3-69.7-178-63.6-176.1000112.8T74 L75 I76 V132 T134 V144 L148L71-T74 PolarHBondContact O-N 3.46Å; L71-L75 HydrophobicContact CD2-CD1 4.19Å; L71-L75 PolarHBondContact O-N 3.02Å; L71-I76 HydrophobicContact CB-CG1 4.48Å; L71-I76 WeakPolarHBondContact O-CG1 3.48Å; L71-I76 PolarHBondContact O-N 3.21Å; L71-V132 HydrophobicContact CD1-CG1 3.87Å; L71-V132 HydrophobicContact CD2-CG1 3.88Å; L71-V132 HydrophobicContact CD2-CG2 4.44Å; L71-V132 HydrophobicContact CG-CG1 3.8Å; L71-T134 HydrophobicContact CD1-CG2 3.98Å; L71-T134 HydrophobicContact CG-CG2 4.44Å; L71-V144 HydrophobicContact CD1-CB 4.2Å; L71-V144 HydrophobicContact CD1-CG1 4.08Å; L71-V144 HydrophobicContact CD2-CG1 4.47Å; L71-L148 HydrophobicContact CD2-CD1 4.24Å
72D97.5Very high93.1Very high19 Ų1932.4 Ų32.410%0.10217%0.173CC..BIsolated β-bridgetrans-71.5132.8-170.5-63.3-70.1000110.9T74 S136 Y140D72-T74 PolarHBondContact O-N 3.41Å; D72-S136 PolarHBondContact OD2-OG 2.98Å; D72-Y140 WeakPolarHBondContact OD1-CE1 3.49Å; D72-Y140 PolarHBondContact OD1-OH 3.05Å; D72-Y140 WeakPolarHBondContact OD2-CE1 3.33Å
73E97.3Very high91.8Very high38 Ų3833.5 Ų33.518%0.17818%0.179CC..THydrogen-bonded Turntrans59.6-1.9-171.8-70.270.9-13400115.5I76 H77 N190 S207 W208 F209E73-I76 WeakPolarHBondContact CA-O 3.32Å; E73-I76 PolarHBondContact N-O 3.43Å; E73-H77 IonicContact OE1-CE1 3.83Å; E73-H77 PolarHBondContact OE1-CE1 2.9Å; E73-H77 IonicContact OE1-CG 3.28Å; E73-H77 IonicContact OE1-ND1 3.98Å; E73-H77 PolarHBondContact OE1-ND1 3.47Å; E73-N190 WeakPolarHBondContact CB-ND2 3.29Å; E73-S207 WeakPolarHBondContact O-CA 3.29Å; E73-W208 WeakPolarHBondContact CA-O 3.37Å; E73-W208 PolarHBondContact O-N 3.21Å; E73-F209 HydrophobicContact CG-CD1 4.04Å; E73-F209 HydrophobicContact CG-CE1 3.53Å; E73-F209 HydrophobicContact CG-CZ 4.05Å
74T98.4Very high90Very high0 Ų035.5 Ų35.50%020%0.196CC..THydrogen-bonded Turntrans-103.1-62.9175.6-64.60000112D70 L71 D72 R114 L188 N190 I205D70-T74 HydrophobicContact CB-CG2 4.17Å; D70-T74 WeakPolarHBondContact OD2-CB 3.25Å; D70-T74 PolarHBondContact OD2-OG1 3.47Å; L71-T74 PolarHBondContact O-N 3.46Å; D72-T74 PolarHBondContact O-N 3.41Å; T74-R114 WeakPolarHBondContact O-CD 3.33Å; T74-R114 PolarHBondContact O-NH1 3.43Å; T74-L188 HydrophobicContact CG2-CD2 4.39Å; T74-L188 HydrophobicContact CG2-CG 4.11Å; T74-N190 PolarHBondContact OG1-N 2.9Å; T74-N190 PolarHBondContact OG1-OD1 3Å; T74-I205 HydrophobicContact CG2-CG2 4.05Å
75L98.5Very high88.3Confident0 Ų034 Ų340%019%0.19CC..THydrogen-bonded Turntrans-102.8-26.1179.6-62.4-174.9000112.9L69 D70 L71 R114 V117 F120 L121 L148 L217L69-L75 HydrophobicContact CB-CD1 4.18Å; L69-L75 HydrophobicContact CD1-CD1 4.35Å; D70-L75 VanDerWaalsContact O-CG 3.32Å; D70-L75 WeakPolarHBondContact O-CG 3.17Å; L71-L75 HydrophobicContact CD2-CD1 4.19Å; L71-L75 PolarHBondContact O-N 3.02Å; L75-R114 WeakPolarHBondContact O-CB 3.26Å; L75-R114 PolarHBondContact O-N 2.66Å; L75-V117 HydrophobicContact CB-CG2 3.94Å; L75-V117 HydrophobicContact CD2-CG2 4.04Å; L75-V117 HydrophobicContact CG-CG2 4.4Å; L75-F120 HydrophobicContact CD2-CD1 4.49Å; L75-F120 HydrophobicContact CD2-CE1 4.4Å; L75-L121 HydrophobicContact CD1-CD2 4.49Å; L75-L148 HydrophobicContact CB-CD1 4.28Å; L75-L148 HydrophobicContact CD1-CD1 4.2Å; L75-L217 HydrophobicContact CD2-CD1 4.18Å; L75-L217 HydrophobicContact CD2-CD2 3.99Å
76I97.7Very high86.7Confident0 Ų039.9 Ų39.90%023%0.229CC..EExtended strand (participates in β ladder)trans-141.2168.2-177.558.1133.9000110.6L71 E73 V111 H112 Y140 V144 L148L71-I76 HydrophobicContact CB-CG1 4.48Å; L71-I76 WeakPolarHBondContact O-CG1 3.48Å; L71-I76 PolarHBondContact O-N 3.21Å; E73-I76 WeakPolarHBondContact CA-O 3.32Å; E73-I76 PolarHBondContact N-O 3.43Å; I76-V111 HydrophobicContact CB-CG1 3.88Å; I76-V111 HydrophobicContact CD1-CG1 3.68Å; I76-V111 HydrophobicContact CG1-CG1 4.38Å; I76-V111 HydrophobicContact CG2-CG1 3.99Å; I76-H112 CarbonylContact C-O 3.56Å; I76-H112 WeakPolarHBondContact CA-O 3.42Å; I76-H112 WeakPolarHBondContact CB-O 3.43Å; I76-Y140 WeakPolarHBondContact CD1-OH 3.43Å; I76-V144 HydrophobicContact CD1-CG1 3.71Å; I76-V144 HydrophobicContact CD1-CG2 4.05Å; I76-V144 HydrophobicContact CG1-CG1 4.06Å; I76-V144 HydrophobicContact CG2-CG1 4.37Å; I76-L148 HydrophobicContact CG2-CD1 4.09Å; I76-L148 HydrophobicContact CG2-CD2 4.04Å; I76-L148 HydrophobicContact CG2-CG 4.46Å
77H95.4Very high85.3Confident0 Ų042.1 Ų42.10%024%0.243CC..EExtended strand (participates in β ladder)trans-132133.9162.917860.2000108.5E73 T87 H112 W208 F209E73-H77 IonicContact OE1-CE1 3.83Å; E73-H77 PolarHBondContact OE1-CE1 2.9Å; E73-H77 IonicContact OE1-CG 3.28Å; E73-H77 IonicContact OE1-ND1 3.98Å; E73-H77 PolarHBondContact OE1-ND1 3.47Å; H77-T87 PolarHBondContact NE2-OG1 2.66Å; H77-T87 VanDerWaalsContact NE2-OG1 3.1Å; H77-H112 PolarHBondContact N-O 3.31Å; H77-H112 PolarHBondContact O-N 3Å; H77-W208 HydrophobicContact CB-CE3 3.75Å; H77-W208 HydrophobicContact CB-CZ3 3.62Å; H77-F209 WeakPolarHBondContact CB-O 2.96Å; H77-F209 PolarHBondContact CD2-O 3.39Å; H77-F209 AromaticContact CE1-CD1 3.63Å; H77-F209 AromaticContact ND1-CD1 3.73Å
78S92.8Very high84Confident14 Ų1442.9 Ų42.910%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-128.7155.4177.781.80000112.5F110 Y140S78-F110 WeakPolarHBondContact CA-O 3.43Å; S78-Y140 WeakPolarHBondContact CB-OH 3.36Å; S78-Y140 PolarHBondContact OG-OH 3.14Å
79H89.2Confident82.7Confident44 Ų4451.7 Ų51.720%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-138.7156.2166.557.7-89.9000109F109 F110 H112H79-F109 CarbonylContact O-C 3.58Å; H79-F109 WeakPolarHBondContact O-CA 3.06Å; H79-F110 AromaticContact CD2-CD2 3.83Å; H79-F110 PolarHBondContact N-O 3.29Å; H79-F110 AromaticContact NE2-CD2 3.87Å; H79-F110 AromaticContact NE2-CG 3.86Å; H79-F110 PolarHBondContact O-N 3.11Å; H79-H112 AromaticContact CE1-CE1 3.58Å
80H84.9Confident81.3Confident65 Ų6557.7 Ų57.730%0.30132%0.319SS..EExtended strand (participates in β ladder)trans-116.6159179.956.6-86.7000112.2G82 V83 V107 R108 F109H80-G82 PolarHBondContact O-N 3.12Å; H80-V83 VanDerWaalsContact NE2-CG2 3.29Å; H80-V83 WeakPolarHBondContact NE2-CG2 3.37Å; H80-V83 PolarHBondContact O-N 3.03Å; H80-V107 HydrophobicContact CB-CG1 3.74Å; H80-R108 WeakPolarHBondContact CA-O 3.35Å; H80-R108 WeakPolarHBondContact CB-O 3.24Å; H80-F109 HydrophobicContact CB-CD1 3.89Å; H80-F109 HydrophobicContact CB-CE1 3.87Å; H80-F109 HydrophobicContact CB-CG 4.33Å; H80-F109 HydrophobicContact CB-CZ 4.28Å; H80-F109 AromaticContact ND1-CE1 3.98Å
81D73.3Confident80Confident70 Ų7059.9 Ų59.937%0.37435%0.345SS..THydrogen-bonded Turntrans-50.6128.1173.2-76.6-32.2000110.6R108 F110D81-R108 PolarHBondContact N-O 3.5Å; D81-R108 IonicContact OD1-NH2 2.6Å; D81-R108 PolarHBondContact OD1-NH2 3.23Å; D81-R108 WeakPolarHBondContact OD2-CB 3.41Å; D81-R108 IonicContact OD2-CZ 3.15Å; D81-R108 IonicContact OD2-NE 2.67Å; D81-R108 PolarHBondContact OD2-NE 3.06Å; D81-R108 IonicContact OD2-NH2 2.78Å; D81-R108 PolarHBondContact OD2-NH2 3.28Å; D81-F110 VanDerWaalsContact OD1-CE2 3.26Å; D81-F110 WeakPolarHBondContact OD1-CE2 3.4Å
82G62.5Low79.1Confident86 Ų8662 Ų6289%0.88736%0.358SS*.THydrogen-bonded Turntrans103.6-10.1175.300000115.8H80H80-G82 PolarHBondContact O-N 3.12Å
83V62.6Low78.5Confident60 Ų6061.7 Ų61.736%0.36436%0.357SS..  trans-114107.9172.2-173.60000109.6H80 R85H80-V83 VanDerWaalsContact NE2-CG2 3.29Å; H80-V83 WeakPolarHBondContact NE2-CG2 3.37Å; H80-V83 PolarHBondContact O-N 3.03Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 HydrophobicContact CB-CG 4.48Å; V83-R85 HydrophobicContact CG1-CG 3.65Å; V83-R85 PolarHBondContact O-N 3.18Å
84L54.8Low78.2Confident179 Ų17961.2 Ų61.294%0.93736%0.357SS*.  trans-6691.7166.3-86.3151.4000108.4P86L84-P86 WeakPolarHBondContact O-CD 3.44Å
85R59.7Low77.9Confident120 Ų12064.1 Ų64.145%0.45337%0.372SS..  trans-93113.3166.2-65.1-163.3175.8-148.6-1.4108.3V83 T87V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 HydrophobicContact CB-CG 4.48Å; V83-R85 HydrophobicContact CG1-CG 3.65Å; V83-R85 PolarHBondContact O-N 3.18Å; R85-T87 PolarHBondContact O-N 2.84Å
86P62.7Low77.7Confident129 Ų12965.5 Ų65.584%0.83838%0.378SS*.THydrogen-bonded Turntrans-71.78.317529.5-33.4000112.9L84 V88L84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-V88 VanDerWaalsContact C-N 3.32Å; P86-V88 PolarHBondContact O-N 3.43Å
87T69.4Low77.6Confident51 Ų5169.3 Ų69.331%0.31340%0.398SS..THydrogen-bonded Turntrans-74.6-20.5-174.754.50000113.4H77 R85 F209 S210H77-T87 PolarHBondContact NE2-OG1 2.66Å; H77-T87 VanDerWaalsContact NE2-OG1 3.1Å; R85-T87 PolarHBondContact O-N 2.84Å; T87-F209 HydrophobicContact CG2-CD1 4.35Å; T87-S210 WeakPolarHBondContact O-CB 3.48Å; T87-S210 PolarHBondContact O-OG 3.05Å; T87-S210 VanDerWaalsContact O-OG 3.07Å
88V71.8Confident77.6Confident17 Ų1769.8 Ų69.810%0.10340%0.4CS..SBendtrans-109.2130.4175.5-1770000109.3P86 T92P86-V88 VanDerWaalsContact C-N 3.32Å; P86-V88 PolarHBondContact O-N 3.43Å; V88-T92 HydrophobicContact CG1-CG2 4.16Å
89R72.5Confident77.7Confident185 Ų18577.2 Ų77.270%0.69843%0.431SS*.  trans-56132.3176.7-66.9-175.7-177.7-177.11.6110.6G91 T92R89-G91 PolarHBondContact O-N 2.7Å; R89-T92 WeakPolarHBondContact O-CB 3.39Å; R89-T92 PolarHBondContact O-N 2.72Å; R89-T92 PolarHBondContact O-OG1 3.19Å; R89-T92 VanDerWaalsContact O-OG1 3.07Å
90P69.8Low77.8Confident125 Ų12575.8 Ų75.881%0.81243%0.425SS*.THydrogen-bonded Turntrans-54.1129.3179.6-2935.4000113.2R32 T92R32-P90 PolarHBondContact NH1-O 2.78Å; P90-T92 VanDerWaalsContact C-N 3.32Å
91G71.6Confident78.1Confident56 Ų5676.7 Ų76.758%0.57744%0.435SS*.THydrogen-bonded Turntrans75.915.1-178.800000114.7R32 R89R32-G91 PolarHBondContact NH1-O 2.76Å; R89-G91 PolarHBondContact O-N 2.7Å
92T78.9Confident78.8Confident45 Ų4576 Ų7628%0.27643%0.431SS..PPolyproline II helixtrans-69.2123.7160.5-64.30000108.7V88 R89 P90V88-T92 HydrophobicContact CG1-CG2 4.16Å; R89-T92 WeakPolarHBondContact O-CB 3.39Å; R89-T92 PolarHBondContact O-N 2.72Å; R89-T92 PolarHBondContact O-OG1 3.19Å; R89-T92 VanDerWaalsContact O-OG1 3.07Å; P90-T92 VanDerWaalsContact C-N 3.32Å
93P84.4Confident80Confident12 Ų1278.7 Ų78.78%0.07843%0.425CS..PPolyproline II helixtrans-75.4138.2179.531.5-35.4000111.1Y29 K33Y29-P93 HydrophobicContact CD2-CB 3.69Å; Y29-P93 HydrophobicContact CD2-CG 4.49Å; Y29-P93 HydrophobicContact CE2-CB 3.22Å; Y29-P93 HydrophobicContact CE2-CG 4.32Å; K33-P93 HydrophobicContact CB-CG 4.43Å
94P91Very high81.3Confident27 Ų2785.2 Ų85.218%0.17545%0.448CS..PPolyproline II helixtrans-67.3152.8172.133.1-39.1000110.6I97 F110P94-I97 HydrophobicContact CB-CG1 4.46Å; P94-I97 HydrophobicContact CG-CD1 4.23Å; P94-I97 HydrophobicContact CG-CG1 3.89Å; P94-F110 HydrophobicContact CB-CB 4.14Å; P94-F110 HydrophobicContact CG-CD1 4.12Å
95D92.6Very high82.9Confident61 Ų6182.9 Ų82.933%0.32643%0.432SS..SBendtrans-75.1-36.4173.4-66.7-71.7000110.8R36 V111 H112 K113R36-D95 IonicContact CZ-OD1 3.63Å; R36-D95 IonicContact CZ-OD2 3.9Å; R36-D95 VanDerWaalsContact CZ-OD2 3.26Å; R36-D95 IonicContact NH1-OD1 2.84Å; R36-D95 PolarHBondContact NH1-OD1 3Å; R36-D95 IonicContact NH1-OD2 3.49Å; R36-D95 PolarHBondContact NH1-OD2 3.44Å; R36-D95 IonicContact NH2-OD1 3.33Å; R36-D95 IonicContact NH2-OD2 2.71Å; R36-D95 PolarHBondContact NH2-OD2 2.89Å; D95-V111 PolarHBondContact N-O 2.84Å; D95-H112 VanDerWaalsContact OD2-CA 3.31Å; D95-H112 WeakPolarHBondContact OD2-CA 3.38Å; D95-K113 HydrophobicContact CB-CB 4.35Å; D95-K113 HydrophobicContact CB-CD 3.82Å; D95-K113 HydrophobicContact CB-CG 3.78Å; D95-K113 PolarHBondContact OD2-N 2.64Å
96F95.1Very high84.4Confident29 Ų2982.5 Ų82.513%0.12745%0.446CS..EExtended strand (participates in β ladder)trans-153.6159.2169.552.9-90.6000111.7L98 V111 K113 K147F96-L98 HydrophobicContact CD2-CD2 3.88Å; F96-L98 HydrophobicContact CD2-CG 3.96Å; F96-L98 HydrophobicContact CE2-CD1 4.13Å; F96-L98 HydrophobicContact CE2-CD2 4.1Å; F96-L98 HydrophobicContact CE2-CG 4.02Å; F96-V111 HydrophobicContact CD2-CB 3.73Å; F96-V111 HydrophobicContact CD2-CG1 4.31Å; F96-V111 HydrophobicContact CD2-CG2 3.96Å; F96-V111 HydrophobicContact CE1-CB 4.31Å; F96-V111 HydrophobicContact CE1-CG1 4.01Å; F96-V111 HydrophobicContact CE2-CB 3.41Å; F96-V111 VanDerWaalsContact CE2-CB 3.41Å; F96-V111 HydrophobicContact CE2-CG1 3.54Å; F96-V111 HydrophobicContact CE2-CG2 3.59Å; F96-V111 HydrophobicContact CG-CB 4.32Å; F96-V111 HydrophobicContact CZ-CB 3.74Å; F96-V111 HydrophobicContact CZ-CG1 3.36Å; F96-V111 HydrophobicContact CZ-CG2 4.32Å; F96-V111 PolarHBondContact N-O 3.08Å; F96-V111 PolarHBondContact O-N 3Å; F96-K113 HydrophobicContact CD1-CD 4.43Å; F96-K113 HydrophobicContact CE1-CD 4.09Å; F96-K113 HydrophobicContact CE1-CG 3.91Å; F96-K147 HydrophobicContact CD1-CB 4.22Å; F96-K147 HydrophobicContact CD2-CB 4.03Å; F96-K147 HydrophobicContact CD2-CG 3.77Å; F96-K147 HydrophobicContact CE1-CB 3.95Å; F96-K147 HydrophobicContact CE2-CB 3.73Å; F96-K147 HydrophobicContact CE2-CG 3.83Å; F96-K147 HydrophobicContact CG-CB 4.26Å; F96-K147 HydrophobicContact CG-CG 4.18Å; F96-K147 HydrophobicContact CZ-CB 3.68Å; F96-K147 HydrophobicContact CZ-CG 4.31Å
97I94.8Very high85.7Confident81 Ų8177.8 Ų77.842%0.41541%0.414SS..EExtended strand (participates in β ladder)trans-114.8126.1176.2-58.5173.7000108.2P94 R108 F109 F110P94-I97 HydrophobicContact CB-CG1 4.46Å; P94-I97 HydrophobicContact CG-CD1 4.23Å; P94-I97 HydrophobicContact CG-CG1 3.89Å; I97-R108 HydrophobicContact CG2-CB 4.41Å; I97-F109 CarbonylContact C-O 3.17Å; I97-F109 VanDerWaalsContact CA-O 3.3Å; I97-F109 WeakPolarHBondContact CA-O 3.46Å; I97-F110 HydrophobicContact CD1-CD1 4Å; I97-F110 HydrophobicContact CD1-CE1 3.91Å; I97-F110 HydrophobicContact CG1-CD1 3.97Å; I97-F110 HydrophobicContact CG1-CE1 4.33Å
98L95.4Very high86.9Confident10 Ų1081 Ų815%0.05242%0.42CS..EExtended strand (participates in β ladder)trans-98.5140172.1-58178.8000109.6F96 R108 F109 V111 Y140 A143 V144 K147F96-L98 HydrophobicContact CD2-CD2 3.88Å; F96-L98 HydrophobicContact CD2-CG 3.96Å; F96-L98 HydrophobicContact CE2-CD1 4.13Å; F96-L98 HydrophobicContact CE2-CD2 4.1Å; F96-L98 HydrophobicContact CE2-CG 4.02Å; L98-R108 CarbonylContact O-C 3.58Å; L98-R108 VanDerWaalsContact O-CA 3.29Å; L98-R108 WeakPolarHBondContact O-CA 3.46Å; L98-F109 HydrophobicContact CB-CB 4.27Å; L98-F109 PolarHBondContact N-O 3.33Å; L98-F109 PolarHBondContact O-N 2.88Å; L98-V111 HydrophobicContact CD1-CG2 4.11Å; L98-V111 HydrophobicContact CG-CG2 4.18Å; L98-Y140 HydrophobicContact CD1-CD2 4.35Å; L98-Y140 HydrophobicContact CD1-CE2 4.33Å; L98-A143 HydrophobicContact CD1-CB 3.95Å; L98-A143 HydrophobicContact CD2-CB 4.15Å; L98-V144 HydrophobicContact CD1-CB 4.39Å; L98-V144 HydrophobicContact CD1-CG2 3.45Å; L98-V144 VanDerWaalsContact CD1-CG2 3.45Å; L98-K147 HydrophobicContact CD2-CG 3.88Å
99K94.4Very high87.9Confident170 Ų17081.1 Ų81.174%0.73942%0.42SS*.EExtended strand (participates in β ladder)trans-119.4111.5172.6-55.6-173.1-178.7174.30107.1R108K99-R108 HydrophobicContact CG-CG 4.22Å
100V92.4Very high88.9Confident13 Ų1374.4 Ų74.48%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-126154.9-179.5-61.50000109.4I102 V107 F109 I139V100-I102 HydrophobicContact CG2-CD1 4.1Å; V100-I102 HydrophobicContact CG2-CG1 4.11Å; V100-V107 HydrophobicContact CG2-CB 4.48Å; V100-V107 PolarHBondContact N-O 2.83Å; V100-V107 PolarHBondContact O-N 2.97Å; V100-F109 HydrophobicContact CG2-CD2 3.78Å; V100-F109 HydrophobicContact CG2-CE2 3.39Å; V100-I139 HydrophobicContact CB-CD1 4.28Å; V100-I139 HydrophobicContact CB-CG1 4.15Å; V100-I139 HydrophobicContact CG1-CG1 4.31Å
101V90.8Very high90.1Very high85 Ų8568.5 Ų68.552%0.51536%0.357SS..EExtended strand (participates in β ladder)trans-107.5110.8178.3-179.60000108.3H105 I139V101-H105 WeakPolarHBondContact CA-O 3.27Å; V101-I139 WeakPolarHBondContact O-CD1 3.36Å
102I87.4Confident91.1Very high56 Ų5665.9 Ų65.929%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-109.4122.8178.4-59.2171.3000107V100 K104 H105 V107 F109 I139V100-I102 HydrophobicContact CG2-CD1 4.1Å; V100-I102 HydrophobicContact CG2-CG1 4.11Å; I102-K104 PolarHBondContact O-N 2.85Å; I102-H105 PolarHBondContact N-O 3.3Å; I102-H105 WeakPolarHBondContact O-CA 3.49Å; I102-H105 WeakPolarHBondContact O-CB 3.34Å; I102-H105 PolarHBondContact O-N 2.92Å; I102-V107 HydrophobicContact CB-CG2 4.3Å; I102-V107 HydrophobicContact CD1-CB 4.36Å; I102-V107 HydrophobicContact CD1-CG2 4.18Å; I102-V107 HydrophobicContact CG1-CG2 4.43Å; I102-F109 HydrophobicContact CD1-CE2 4.1Å; I102-F109 HydrophobicContact CD1-CZ 4.06Å; I102-I139 HydrophobicContact CG1-CG2 4.37Å
103D87.9Confident91.9Very high141 Ų14165.1 Ų65.175%0.75432%0.323SS*.THydrogen-bonded Turntrans48.845-178.8-57.4-35.5000113.4H105D103-H105 PolarHBondContact O-N 3.06Å; D103-H105 PolarHBondContact O-ND1 2.86Å
104K89.7Confident92.5Very high197 Ų19764.6 Ų64.686%0.85732%0.32SS*.THydrogen-bonded Turntrans67.23.9-176.8-51.1175.6-178.6175.70115.5I102I102-K104 PolarHBondContact O-N 2.85Å
105H88.4Confident92.5Very high130 Ų13063.3 Ų63.360%0.60231%0.311SS*.EExtended strand (participates in β ladder)trans-101.7125.1176.5-63.682.7000110.3V101 I102 D103 V107V101-H105 WeakPolarHBondContact CA-O 3.27Å; I102-H105 PolarHBondContact N-O 3.3Å; I102-H105 WeakPolarHBondContact O-CA 3.49Å; I102-H105 WeakPolarHBondContact O-CB 3.34Å; I102-H105 PolarHBondContact O-N 2.92Å; D103-H105 PolarHBondContact O-N 3.06Å; D103-H105 PolarHBondContact O-ND1 2.86Å; H105-V107 PolarHBondContact O-N 2.89Å
106P90.5Very high92.5Very high113 Ų11361.5 Ų61.573%0.73430%0.301SS*.EExtended strand (participates in β ladder)trans-71.1122.3174.528.6-32.4000110
107V91.7Very high92.6Very high30 Ų3060.2 Ų60.218%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-115.7132.2177.8-1740000109H80 V100 I102 H105 F109H80-V107 HydrophobicContact CB-CG1 3.74Å; V100-V107 HydrophobicContact CG2-CB 4.48Å; V100-V107 PolarHBondContact N-O 2.83Å; V100-V107 PolarHBondContact O-N 2.97Å; I102-V107 HydrophobicContact CB-CG2 4.3Å; I102-V107 HydrophobicContact CD1-CB 4.36Å; I102-V107 HydrophobicContact CD1-CG2 4.18Å; I102-V107 HydrophobicContact CG1-CG2 4.43Å; H105-V107 PolarHBondContact O-N 2.89Å; V107-F109 HydrophobicContact CB-CE2 3.97Å; V107-F109 HydrophobicContact CG1-CD2 4.1Å; V107-F109 HydrophobicContact CG1-CE2 3.51Å; V107-F109 HydrophobicContact CG1-CZ 3.87Å
108R93.2Very high92.6Very high117 Ų11759.9 Ų59.944%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-101.4129.3173.2-62.2-174.9-70.3-174.7-0.8110H80 D81 I97 L98 K99H80-R108 WeakPolarHBondContact CA-O 3.35Å; H80-R108 WeakPolarHBondContact CB-O 3.24Å; D81-R108 PolarHBondContact N-O 3.5Å; D81-R108 IonicContact OD1-NH2 2.6Å; D81-R108 PolarHBondContact OD1-NH2 3.23Å; D81-R108 WeakPolarHBondContact OD2-CB 3.41Å; D81-R108 IonicContact OD2-CZ 3.15Å; D81-R108 IonicContact OD2-NE 2.67Å; D81-R108 PolarHBondContact OD2-NE 3.06Å; D81-R108 IonicContact OD2-NH2 2.78Å; D81-R108 PolarHBondContact OD2-NH2 3.28Å; I97-R108 HydrophobicContact CG2-CB 4.41Å; L98-R108 CarbonylContact O-C 3.58Å; L98-R108 VanDerWaalsContact O-CA 3.29Å; L98-R108 WeakPolarHBondContact O-CA 3.46Å; K99-R108 HydrophobicContact CG-CG 4.22Å
109F93.5Very high92.5Very high21 Ų2162.5 Ų62.59%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-108.9126.6172.9-67-97.3000109.7H79 H80 I97 L98 V100 I102 V107 V111 Y140H79-F109 CarbonylContact O-C 3.58Å; H79-F109 WeakPolarHBondContact O-CA 3.06Å; H80-F109 HydrophobicContact CB-CD1 3.89Å; H80-F109 HydrophobicContact CB-CE1 3.87Å; H80-F109 HydrophobicContact CB-CG 4.33Å; H80-F109 HydrophobicContact CB-CZ 4.28Å; H80-F109 AromaticContact ND1-CE1 3.98Å; I97-F109 CarbonylContact C-O 3.17Å; I97-F109 VanDerWaalsContact CA-O 3.3Å; I97-F109 WeakPolarHBondContact CA-O 3.46Å; L98-F109 HydrophobicContact CB-CB 4.27Å; L98-F109 PolarHBondContact N-O 3.33Å; L98-F109 PolarHBondContact O-N 2.88Å; V100-F109 HydrophobicContact CG2-CD2 3.78Å; V100-F109 HydrophobicContact CG2-CE2 3.39Å; I102-F109 HydrophobicContact CD1-CE2 4.1Å; I102-F109 HydrophobicContact CD1-CZ 4.06Å; V107-F109 HydrophobicContact CB-CE2 3.97Å; V107-F109 HydrophobicContact CG1-CD2 4.1Å; V107-F109 HydrophobicContact CG1-CE2 3.51Å; V107-F109 HydrophobicContact CG1-CZ 3.87Å; F109-V111 HydrophobicContact CB-CG2 4.28Å; F109-Y140 HydrophobicContact CB-CD2 4.43Å; F109-Y140 HydrophobicContact CB-CE2 4.08Å; F109-Y140 AromaticContact CD1-CD2 3.8Å; F109-Y140 HydrophobicContact CD1-CD2 3.8Å; F109-Y140 AromaticContact CD1-CE2 3.58Å; F109-Y140 HydrophobicContact CD1-CE2 3.58Å; F109-Y140 AromaticContact CD2-CD2 3.97Å; F109-Y140 HydrophobicContact CD2-CD2 3.97Å; F109-Y140 HydrophobicContact CD2-CE2 4.41Å; F109-Y140 AromaticContact CE1-CD2 3.98Å; F109-Y140 HydrophobicContact CE1-CD2 3.98Å; F109-Y140 HydrophobicContact CE1-CE2 4.08Å; F109-Y140 HydrophobicContact CE2-CD2 4.16Å; F109-Y140 AromaticContact CG-CD2 3.8Å; F109-Y140 HydrophobicContact CG-CD2 3.8Å; F109-Y140 AromaticContact CG-CE2 3.76Å; F109-Y140 HydrophobicContact CG-CE2 3.76Å; F109-Y140 HydrophobicContact CZ-CD2 4.16Å
110F93.1Very high92.6Very high44 Ų4454.4 Ų54.419%0.19327%0.27CS..EExtended strand (participates in β ladder)trans-95.4106.5173.9-58.8-91000108S78 H79 D81 P94 I97S78-F110 WeakPolarHBondContact CA-O 3.43Å; H79-F110 AromaticContact CD2-CD2 3.83Å; H79-F110 PolarHBondContact N-O 3.29Å; H79-F110 AromaticContact NE2-CD2 3.87Å; H79-F110 AromaticContact NE2-CG 3.86Å; H79-F110 PolarHBondContact O-N 3.11Å; D81-F110 VanDerWaalsContact OD1-CE2 3.26Å; D81-F110 WeakPolarHBondContact OD1-CE2 3.4Å; P94-F110 HydrophobicContact CB-CB 4.14Å; P94-F110 HydrophobicContact CG-CD1 4.12Å; I97-F110 HydrophobicContact CD1-CD1 4Å; I97-F110 HydrophobicContact CD1-CE1 3.91Å; I97-F110 HydrophobicContact CG1-CD1 3.97Å; I97-F110 HydrophobicContact CG1-CE1 4.33Å
111V94.3Very high92.8Very high0 Ų053.8 Ų53.80%027%0.266CS..EExtended strand (participates in β ladder)trans-103.6130.6-171.2-171.90000110.2I76 D95 F96 L98 F109I76-V111 HydrophobicContact CB-CG1 3.88Å; I76-V111 HydrophobicContact CD1-CG1 3.68Å; I76-V111 HydrophobicContact CG1-CG1 4.38Å; I76-V111 HydrophobicContact CG2-CG1 3.99Å; D95-V111 PolarHBondContact N-O 2.84Å; F96-V111 HydrophobicContact CD2-CB 3.73Å; F96-V111 HydrophobicContact CD2-CG1 4.31Å; F96-V111 HydrophobicContact CD2-CG2 3.96Å; F96-V111 HydrophobicContact CE1-CB 4.31Å; F96-V111 HydrophobicContact CE1-CG1 4.01Å; F96-V111 HydrophobicContact CE2-CB 3.41Å; F96-V111 VanDerWaalsContact CE2-CB 3.41Å; F96-V111 HydrophobicContact CE2-CG1 3.54Å; F96-V111 HydrophobicContact CE2-CG2 3.59Å; F96-V111 HydrophobicContact CG-CB 4.32Å; F96-V111 HydrophobicContact CZ-CB 3.74Å; F96-V111 HydrophobicContact CZ-CG1 3.36Å; F96-V111 HydrophobicContact CZ-CG2 4.32Å; F96-V111 PolarHBondContact N-O 3.08Å; F96-V111 PolarHBondContact O-N 3Å; L98-V111 HydrophobicContact CD1-CG2 4.11Å; L98-V111 HydrophobicContact CG-CG2 4.18Å; F109-V111 HydrophobicContact CB-CG2 4.28Å
112H94.3Very high93Very high2 Ų254.7 Ų54.71%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-110.8133.9173.9-58.573000108.4I76 H77 H79 D95 W208I76-H112 CarbonylContact C-O 3.56Å; I76-H112 WeakPolarHBondContact CA-O 3.42Å; I76-H112 WeakPolarHBondContact CB-O 3.43Å; H77-H112 PolarHBondContact N-O 3.31Å; H77-H112 PolarHBondContact O-N 3Å; H79-H112 AromaticContact CE1-CE1 3.58Å; D95-H112 VanDerWaalsContact OD2-CA 3.31Å; D95-H112 WeakPolarHBondContact OD2-CA 3.38Å; H112-W208 HydrophobicContact CB-CH2 3.79Å; H112-W208 HydrophobicContact CB-CZ3 4.08Å; H112-W208 WeakPolarHBondContact O-CZ3 2.82Å
113K95.4Very high93.4Very high29 Ų2952.1 Ų52.113%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-84.5131.2176.4-68175.576.5169.70109.6R36 D95 F96 V117 D118 L148 W208R36-K113 PolarHBondContact NH2-O 3.46Å; D95-K113 HydrophobicContact CB-CB 4.35Å; D95-K113 HydrophobicContact CB-CD 3.82Å; D95-K113 HydrophobicContact CB-CG 3.78Å; D95-K113 PolarHBondContact OD2-N 2.64Å; F96-K113 HydrophobicContact CD1-CD 4.43Å; F96-K113 HydrophobicContact CE1-CD 4.09Å; F96-K113 HydrophobicContact CE1-CG 3.91Å; K113-V117 HydrophobicContact CB-CG1 3.77Å; K113-V117 HydrophobicContact CD-CG1 4.42Å; K113-V117 VanDerWaalsContact CE-CG1 3.43Å; K113-V117 HydrophobicContact CG-CG1 4.24Å; K113-D118 WeakPolarHBondContact CE-OD1 3.18Å; K113-D118 WeakPolarHBondContact CE-OD2 3.41Å; K113-D118 IonicContact NZ-OD1 2.76Å; K113-D118 PolarHBondContact NZ-OD1 3Å; K113-D118 IonicContact NZ-OD2 3.75Å; K113-D118 PolarHBondContact NZ-OD2 2.88Å; K113-L148 HydrophobicContact CG-CD2 4.4Å; K113-W208 WeakPolarHBondContact O-CH2 3.37Å
114R95.8Very high93.8Very high1 Ų145.4 Ų45.40%0.00422%0.216CC..PPolyproline II helixtrans-58.2138169.3-172.4169.6-171.3153.514.6108.4T74 L75 H116 V117 I205 K206 W208 D214 L217T74-R114 WeakPolarHBondContact O-CD 3.33Å; T74-R114 PolarHBondContact O-NH1 3.43Å; L75-R114 WeakPolarHBondContact O-CB 3.26Å; L75-R114 PolarHBondContact O-N 2.66Å; R114-H116 PolarHBondContact O-N 3Å; R114-V117 WeakPolarHBondContact O-CB 3.35Å; R114-V117 WeakPolarHBondContact O-CG1 3.49Å; R114-V117 PolarHBondContact O-N 3.21Å; R114-I205 VanDerWaalsContact NH1-CD1 3.29Å; R114-K206 PolarHBondContact NH1-O 2.97Å; R114-K206 PolarHBondContact NH2-O 3.23Å; R114-W208 HydrophobicContact CB-CD2 3.81Å; R114-W208 HydrophobicContact CB-CE3 3.75Å; R114-W208 HydrophobicContact CB-CG 4.25Å; R114-W208 HydrophobicContact CB-CZ3 4.16Å; R114-W208 HydrophobicContact CG-CB 4.13Å; R114-W208 HydrophobicContact CG-CD2 3.72Å; R114-W208 HydrophobicContact CG-CE3 4.18Å; R114-W208 HydrophobicContact CG-CG 3.67Å; R114-W208 VanDerWaalsContact CZ-CB 3.5Å; R114-D214 IonicContact CZ-OD1 3.12Å; R114-D214 IonicContact CZ-OD2 3.8Å; R114-D214 IonicContact NE-OD1 3.26Å; R114-D214 PolarHBondContact NE-OD1 2.92Å; R114-D214 IonicContact NE-OD2 2.61Å; R114-D214 IonicContact NH2-OD1 2.63Å; R114-D214 PolarHBondContact NH2-OD1 3.38Å; R114-D214 IonicContact NH2-OD2 3.18Å; R114-D214 PolarHBondContact NH2-OD2 2.96Å; R114-L217 HydrophobicContact CB-CD1 4.16Å; R114-L217 HydrophobicContact CG-CD1 4.04Å; R114-L217 HydrophobicContact CG-CG 4.4Å
115P92.6Very high94.2Very high0 Ų037.2 Ų37.20%018%0.183CC..THydrogen-bonded Turntrans-49.4140.9177.3-27.534.4000111.5Q40 V117 W208 D211 D214Q40-P115 HydrophobicContact CG-CB 4.37Å; P115-V117 PolarHBondContact O-N 3.01Å; P115-W208 VanDerWaalsContact CD-CE2 3.49Å; P115-W208 HydrophobicContact CG-CZ2 4.48Å; P115-D211 WeakPolarHBondContact CG-O 3.26Å; P115-D214 VanDerWaalsContact CB-O 3.31Å; P115-D214 WeakPolarHBondContact CB-O 3.22Å; P115-D214 HydrophobicContact CG-CB 4.2Å
116H92.3Very high94.5Very high23 Ų2336.1 Ų36.111%0.10618%0.179CC..THydrogen-bonded Turntrans66.95.8178-40.7-72.2000116.8Q40 R114 D118 F119 F120 L218Q40-H116 PolarHBondContact O-CE1 3.12Å; Q40-H116 PolarHBondContact O-ND1 3.5Å; R114-H116 PolarHBondContact O-N 3Å; H116-D118 VanDerWaalsContact C-N 3.29Å; H116-D118 PolarHBondContact O-N 3.03Å; H116-F119 PolarHBondContact O-N 3.49Å; H116-F120 VanDerWaalsContact O-CB 3.31Å; H116-F120 WeakPolarHBondContact O-CB 3.31Å; H116-F120 PolarHBondContact O-N 3.03Å; H116-L218 HydrophobicContact CB-CD1 3.94Å; H116-L218 HydrophobicContact CB-CD2 3.71Å; H116-L218 HydrophobicContact CB-CG 3.53Å; H116-L218 WeakPolarHBondContact CD2-CD1 3.31Å; H116-L218 VanDerWaalsContact CG-CG 3.45Å; H116-L218 WeakPolarHBondContact ND1-CD1 3.45Å; H116-L218 WeakPolarHBondContact NE2-CD1 3.21Å
117V96.4Very high94.8Very high2 Ų231.6 Ų31.61%0.01215%0.147CC..Hα-helixtrans-56.5-38.4-178.668.40000113.8L75 K113 R114 P115 L121 L148 L217L75-V117 HydrophobicContact CB-CG2 3.94Å; L75-V117 HydrophobicContact CD2-CG2 4.04Å; L75-V117 HydrophobicContact CG-CG2 4.4Å; K113-V117 HydrophobicContact CB-CG1 3.77Å; K113-V117 HydrophobicContact CD-CG1 4.42Å; K113-V117 VanDerWaalsContact CE-CG1 3.43Å; K113-V117 HydrophobicContact CG-CG1 4.24Å; R114-V117 WeakPolarHBondContact O-CB 3.35Å; R114-V117 WeakPolarHBondContact O-CG1 3.49Å; R114-V117 PolarHBondContact O-N 3.21Å; P115-V117 PolarHBondContact O-N 3.01Å; V117-L121 HydrophobicContact CG2-CD1 4.1Å; V117-L121 HydrophobicContact CG2-CG 4.36Å; V117-L121 WeakPolarHBondContact O-CB 3.39Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.24Å; V117-L121 PolarHBondContact O-N 3.15Å; V117-L148 HydrophobicContact CG1-CD2 4.39Å; V117-L148 HydrophobicContact CG2-CD2 4.38Å; V117-L217 HydrophobicContact CB-CD1 3.9Å; V117-L217 HydrophobicContact CG2-CD1 4.19Å
118D94.9Very high95.1Very high73 Ų7330.2 Ų30.239%0.3914%0.138SC..Hα-helixtrans-65.3-48.5-179.7-70.6-44000112.3K113 H116 L121 E122K113-D118 WeakPolarHBondContact CE-OD1 3.18Å; K113-D118 WeakPolarHBondContact CE-OD2 3.41Å; K113-D118 IonicContact NZ-OD1 2.76Å; K113-D118 PolarHBondContact NZ-OD1 3Å; K113-D118 IonicContact NZ-OD2 3.75Å; K113-D118 PolarHBondContact NZ-OD2 2.88Å; H116-D118 VanDerWaalsContact C-N 3.29Å; H116-D118 PolarHBondContact O-N 3.03Å; D118-L121 PolarHBondContact O-N 3.09Å; D118-E122 WeakPolarHBondContact O-CB 3.27Å; D118-E122 PolarHBondContact O-N 2.71Å
119F93.1Very high95.4Very high66 Ų6628.4 Ų28.429%0.28914%0.135SC..Hα-helixtrans-65.4-43.3178177.8-101.1000110.8H116 L121 E122 V123 L218 L221H116-F119 PolarHBondContact O-N 3.49Å; F119-L121 PolarHBondContact O-N 3.36Å; F119-E122 WeakPolarHBondContact O-CB 3.5Å; F119-E122 PolarHBondContact O-N 2.65Å; F119-V123 HydrophobicContact CD1-CG2 4.27Å; F119-V123 HydrophobicContact CD2-CG2 4.31Å; F119-V123 HydrophobicContact CE1-CG2 3.84Å; F119-V123 HydrophobicContact CE2-CG2 3.89Å; F119-V123 HydrophobicContact CZ-CG2 3.64Å; F119-V123 VanDerWaalsContact O-CG2 3.3Å; F119-V123 WeakPolarHBondContact O-CG2 3.39Å; F119-V123 PolarHBondContact O-N 2.94Å; F119-L218 HydrophobicContact CD1-CD2 3.63Å; F119-L218 HydrophobicContact CE1-CD2 3.94Å; F119-L221 HydrophobicContact CD1-CD1 4.35Å; F119-L221 HydrophobicContact CE1-CD1 3.82Å
120F96.2Very high95.6Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-54-53.9173.5173.8-96.6000110.9L67 L69 L75 H116 E122 V123 V124 L188 L217 L221 L224L67-F120 HydrophobicContact CD2-CZ 4.31Å; L69-F120 HydrophobicContact CD2-CE1 4.04Å; L69-F120 HydrophobicContact CD2-CZ 4.47Å; L75-F120 HydrophobicContact CD2-CD1 4.49Å; L75-F120 HydrophobicContact CD2-CE1 4.4Å; H116-F120 VanDerWaalsContact O-CB 3.31Å; H116-F120 WeakPolarHBondContact O-CB 3.31Å; H116-F120 PolarHBondContact O-N 3.03Å; F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 2.74Å; F120-V123 PolarHBondContact O-N 2.97Å; F120-V124 HydrophobicContact CD1-CG2 4.12Å; F120-V124 HydrophobicContact CD2-CG1 4.12Å; F120-V124 HydrophobicContact CE1-CG1 4.33Å; F120-V124 HydrophobicContact CE1-CG2 3.87Å; F120-V124 HydrophobicContact CE2-CG1 3.76Å; F120-V124 HydrophobicContact CZ-CG1 3.87Å; F120-V124 HydrophobicContact CZ-CG2 4.21Å; F120-V124 WeakPolarHBondContact O-CG2 3.24Å; F120-V124 PolarHBondContact O-N 2.95Å; F120-L188 HydrophobicContact CE1-CD2 4.37Å; F120-L188 HydrophobicContact CZ-CD2 3.94Å; F120-L217 HydrophobicContact CB-CB 4.16Å; F120-L217 HydrophobicContact CB-CD1 4.48Å; F120-L217 HydrophobicContact CD1-CD2 4.4Å; F120-L217 HydrophobicContact CD2-CB 3.95Å; F120-L217 VanDerWaalsContact CD2-O 3.24Å; F120-L217 WeakPolarHBondContact CD2-O 3.25Å; F120-L217 HydrophobicContact CE1-CD2 4.39Å; F120-L217 HydrophobicContact CG-CB 4.04Å; F120-L217 HydrophobicContact CG-CD2 4.48Å; F120-L217 HydrophobicContact CZ-CD2 4.45Å; F120-L221 HydrophobicContact CD2-CD2 3.7Å; F120-L221 HydrophobicContact CD2-CG 4.36Å; F120-L221 HydrophobicContact CE2-CD2 4.1Å; F120-L224 HydrophobicContact CE2-CD1 3.63Å; F120-L224 HydrophobicContact CZ-CD1 3.87Å
121L97.9Very high95.9Very high0 Ų025.7 Ų25.70%012%0.123CC..Hα-helixtrans-61.6-40.3179-71.3174.9000112.4L69 L75 V117 D118 F119 V123 S125 L130 L148 I154 L155L69-L121 HydrophobicContact CD1-CD2 3.66Å; L75-L121 HydrophobicContact CD1-CD2 4.49Å; V117-L121 HydrophobicContact CG2-CD1 4.1Å; V117-L121 HydrophobicContact CG2-CG 4.36Å; V117-L121 WeakPolarHBondContact O-CB 3.39Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.24Å; V117-L121 PolarHBondContact O-N 3.15Å; D118-L121 PolarHBondContact O-N 3.09Å; F119-L121 PolarHBondContact O-N 3.36Å; L121-V123 PolarHBondContact O-N 3.23Å; L121-S125 WeakPolarHBondContact O-CB 2.95Å; L121-S125 PolarHBondContact O-N 2.9Å; L121-S125 PolarHBondContact O-OG 2.78Å; L121-L130 HydrophobicContact CD2-CD1 4.05Å; L121-L148 HydrophobicContact CD1-CB 4.1Å; L121-I154 HydrophobicContact CB-CD1 4.16Å; L121-L155 HydrophobicContact CD2-CD2 4.44Å
122E94.9Very high96.1Very high104 Ų10425.7 Ų25.749%0.48612%0.123SC..Hα-helixtrans-58.4-46.5175.2179179.6-176.400111.7D118 F119 F120 S125 Q126D118-E122 WeakPolarHBondContact O-CB 3.27Å; D118-E122 PolarHBondContact O-N 2.71Å; F119-E122 WeakPolarHBondContact O-CB 3.5Å; F119-E122 PolarHBondContact O-N 2.65Å; F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 2.74Å; E122-S125 PolarHBondContact O-OG 2.9Å; E122-Q126 PolarHBondContact O-NE2 2.77Å; E122-Q126 VanDerWaalsContact O-NE2 3.1Å
123V95.2Very high96.3Very high1 Ų125.6 Ų25.61%0.00612%0.123CC..Hα-helixtrans-69.3-54.3179.51750000111.4I48 F119 F120 L121 S125 Q126 W127 L221I48-V123 HydrophobicContact CD1-CG2 4.04Å; F119-V123 HydrophobicContact CD1-CG2 4.27Å; F119-V123 HydrophobicContact CD2-CG2 4.31Å; F119-V123 HydrophobicContact CE1-CG2 3.84Å; F119-V123 HydrophobicContact CE2-CG2 3.89Å; F119-V123 HydrophobicContact CZ-CG2 3.64Å; F119-V123 VanDerWaalsContact O-CG2 3.3Å; F119-V123 WeakPolarHBondContact O-CG2 3.39Å; F119-V123 PolarHBondContact O-N 2.94Å; F120-V123 PolarHBondContact O-N 2.97Å; L121-V123 PolarHBondContact O-N 3.23Å; V123-S125 VanDerWaalsContact C-N 3.26Å; V123-S125 PolarHBondContact O-N 2.99Å; V123-Q126 WeakPolarHBondContact O-CB 3.5Å; V123-Q126 PolarHBondContact O-N 3.4Å; V123-Q126 VanDerWaalsContact O-N 3.11Å; V123-W127 HydrophobicContact CG1-CD2 4.17Å; V123-W127 HydrophobicContact CG1-CE3 4.1Å; V123-W127 HydrophobicContact CG1-CH2 3.16Å; V123-W127 HydrophobicContact CG1-CZ2 3.2Å; V123-W127 HydrophobicContact CG1-CZ3 3.63Å; V123-L221 HydrophobicContact CB-CD2 4.2Å; V123-L221 HydrophobicContact CG1-CD2 3.88Å
124V97.5Very high96.5Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-68.8-26.3-173.4-620000112.6L67 F120 Q126 W127 Y128 L130 L221 L224L67-V124 HydrophobicContact CD2-CB 4.03Å; L67-V124 HydrophobicContact CD2-CG1 4.27Å; L67-V124 HydrophobicContact CD2-CG2 4.05Å; F120-V124 HydrophobicContact CD1-CG2 4.12Å; F120-V124 HydrophobicContact CD2-CG1 4.12Å; F120-V124 HydrophobicContact CE1-CG1 4.33Å; F120-V124 HydrophobicContact CE1-CG2 3.87Å; F120-V124 HydrophobicContact CE2-CG1 3.76Å; F120-V124 HydrophobicContact CZ-CG1 3.87Å; F120-V124 HydrophobicContact CZ-CG2 4.21Å; F120-V124 WeakPolarHBondContact O-CG2 3.24Å; F120-V124 PolarHBondContact O-N 2.95Å; V124-Q126 PolarHBondContact O-N 2.76Å; V124-W127 HydrophobicContact CG1-CE3 4.29Å; V124-W127 HydrophobicContact CG1-CZ3 4.47Å; V124-W127 PolarHBondContact O-N 2.57Å; V124-Y128 HydrophobicContact CB-CD2 4.41Å; V124-Y128 PolarHBondContact O-N 2.85Å; V124-L130 HydrophobicContact CB-CD2 4.33Å; V124-L130 HydrophobicContact CG2-CD1 4.09Å; V124-L130 HydrophobicContact CG2-CD2 3.79Å; V124-L221 HydrophobicContact CG1-CD2 3.86Å; V124-L224 HydrophobicContact CG1-CD1 3.84Å
125S97.7Very high96.6Very high25 Ų2525.5 Ų25.518%0.17513%0.127CC..Hα-helixtrans-64.7-20.2174.870.40000113.7R64 L121 E122 V123R64-S125 PolarHBondContact NH2-O 3.32Å; L121-S125 WeakPolarHBondContact O-CB 2.95Å; L121-S125 PolarHBondContact O-N 2.9Å; L121-S125 PolarHBondContact O-OG 2.78Å; E122-S125 PolarHBondContact O-OG 2.9Å; V123-S125 VanDerWaalsContact C-N 3.26Å; V123-S125 PolarHBondContact O-N 2.99Å
126Q95.2Very high96.7Very high108 Ų10826.5 Ų26.551%0.50513%0.134SC..Hα-helixtrans-81.6-22.6173.8-61.4171.950.200112E122 V123 V124E122-Q126 PolarHBondContact O-NE2 2.77Å; E122-Q126 VanDerWaalsContact O-NE2 3.1Å; V123-Q126 WeakPolarHBondContact O-CB 3.5Å; V123-Q126 PolarHBondContact O-N 3.4Å; V123-Q126 VanDerWaalsContact O-N 3.11Å; V124-Q126 PolarHBondContact O-N 2.76Å
127W96Very high96.9Very high18 Ų1829.8 Ų29.87%0.06815%0.151CC..Hα-helixtrans-101.9-37-173-58.1-14.8000112.4Y46 V123 V124 L221 L224 D225 R228Y46-W127 AromaticContact CE1-CH2 3.87Å; Y46-W127 HydrophobicContact CE1-CH2 3.87Å; Y46-W127 HydrophobicContact CE1-CZ2 4.3Å; V123-W127 HydrophobicContact CG1-CD2 4.17Å; V123-W127 HydrophobicContact CG1-CE3 4.1Å; V123-W127 HydrophobicContact CG1-CH2 3.16Å; V123-W127 HydrophobicContact CG1-CZ2 3.2Å; V123-W127 HydrophobicContact CG1-CZ3 3.63Å; V124-W127 HydrophobicContact CG1-CE3 4.29Å; V124-W127 HydrophobicContact CG1-CZ3 4.47Å; V124-W127 PolarHBondContact O-N 2.57Å; W127-L221 HydrophobicContact CH2-CB 4.46Å; W127-L221 HydrophobicContact CH2-CD2 4.37Å; W127-L221 HydrophobicContact CZ3-CD2 4.07Å; W127-L224 HydrophobicContact CE3-CB 4.47Å; W127-L224 HydrophobicContact CZ3-CB 4.34Å; W127-D225 HydrophobicContact CE3-CB 4.46Å; W127-D225 HydrophobicContact CH2-CB 3.83Å; W127-D225 HydrophobicContact CZ2-CB 4.35Å; W127-D225 HydrophobicContact CZ3-CB 3.91Å; W127-R228 HydrophobicContact CB-CG 4.07Å; W127-R228 VanDerWaalsContact CD1-CZ 3.41Å; W127-R228 HydrophobicContact CG-CG 4.48Å
128Y98.4Very high97Very high1 Ų134 Ų340%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-122.2153.5-171.9-67.5-91.1000110.9R64 K65 L67 V124 L224 L227 R228R64-Y128 PolarHBondContact NH2-O 3.06Å; K65-Y128 HydrophobicContact CB-CD1 3.56Å; K65-Y128 HydrophobicContact CB-CE1 3.5Å; K65-Y128 HydrophobicContact CD-CE1 4.28Å; K65-Y128 CarbonylContact O-C 3.52Å; K65-Y128 VanDerWaalsContact O-CA 3.31Å; K65-Y128 WeakPolarHBondContact O-CA 3.39Å; L67-Y128 HydrophobicContact CB-CD1 3.85Å; L67-Y128 HydrophobicContact CB-CD2 4.46Å; L67-Y128 HydrophobicContact CB-CG 3.77Å; L67-Y128 HydrophobicContact CD2-CD2 4.46Å; V124-Y128 HydrophobicContact CB-CD2 4.41Å; V124-Y128 PolarHBondContact O-N 2.85Å; Y128-L224 HydrophobicContact CE2-CB 4.06Å; Y128-L224 HydrophobicContact CE2-CD2 4.39Å; Y128-L224 PolarHBondContact OH-O 3.35Å; Y128-L227 WeakPolarHBondContact OH-CB 3.33Å; Y128-R228 HydrophobicContact CE2-CG 4.16Å
129E98.4Very high97Very high79 Ų7934.1 Ų34.137%0.36917%0.171SC..EExtended strand (participates in β ladder)trans-75.3125.1154.5-176.8-178.5166.200108.1K65 I66 L67 R157K65-E129 PolarHBondContact O-N 3.38Å; I66-E129 CarbonylContact C-O 3.59Å; I66-E129 WeakPolarHBondContact CA-O 3.32Å; I66-E129 HydrophobicContact CG1-CB 4.31Å; L67-E129 PolarHBondContact N-O 3.38Å; E129-R157 WeakPolarHBondContact OE1-CD 3.32Å; E129-R157 IonicContact OE1-CZ 2.72Å; E129-R157 IonicContact OE1-NE 3.85Å; E129-R157 IonicContact OE1-NH1 3.67Å; E129-R157 PolarHBondContact OE1-NH1 2.93Å; E129-R157 IonicContact OE2-NH1 3.51Å
130L98.8Very high97.2Very high7 Ų731.5 Ų31.54%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-95134-177.4-52.6-174.3000110.6L67 L69 L121 V124 I154 L155L67-L130 HydrophobicContact CB-CD2 3.96Å; L67-L130 HydrophobicContact CD2-CD2 4.14Å; L67-L130 HydrophobicContact CG-CD2 4.46Å; L69-L130 HydrophobicContact CD1-CB 4.39Å; L69-L130 HydrophobicContact CD1-CD1 4.34Å; L69-L130 HydrophobicContact CD1-CD2 4.37Å; L121-L130 HydrophobicContact CD2-CD1 4.05Å; V124-L130 HydrophobicContact CB-CD2 4.33Å; V124-L130 HydrophobicContact CG2-CD1 4.09Å; V124-L130 HydrophobicContact CG2-CD2 3.79Å; L130-I154 HydrophobicContact CD1-CB 4.47Å; L130-I154 HydrophobicContact CD1-CD1 4.24Å; L130-L155 HydrophobicContact CB-CD2 3.77Å; L130-L155 HydrophobicContact CD1-CD2 3.98Å
131V98.9Very high97.2Very high0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-126.9127.6177174.40000108.3I66 L67 V68 L69 R157 Y159 V178I66-V131 HydrophobicContact CG2-CB 4.24Å; I66-V131 HydrophobicContact CG2-CG2 3.56Å; L67-V131 PolarHBondContact O-N 2.78Å; V68-V131 CarbonylContact C-O 3.5Å; V68-V131 WeakPolarHBondContact CA-O 3.48Å; V68-V131 HydrophobicContact CG2-CB 4.21Å; V68-V131 HydrophobicContact CG2-CG1 4.43Å; L69-V131 PolarHBondContact N-O 2.83Å; V131-R157 WeakPolarHBondContact CA-O 3.36Å; V131-R157 HydrophobicContact CG1-CB 4.36Å; V131-R157 HydrophobicContact CG2-CB 3.97Å; V131-Y159 HydrophobicContact CG1-CD2 3.59Å; V131-Y159 HydrophobicContact CG1-CE2 3.61Å; V131-V178 HydrophobicContact CB-CG1 4.44Å; V131-V178 HydrophobicContact CG1-CG1 4.12Å; V131-V178 HydrophobicContact CG2-CG1 4.04Å
132V98.9Very high97.2Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-82129.2169.1175.90000108.1L71 T134 A145 L155 R157 R158 Y159L71-V132 HydrophobicContact CD1-CG1 3.87Å; L71-V132 HydrophobicContact CD2-CG1 3.88Å; L71-V132 HydrophobicContact CD2-CG2 4.44Å; L71-V132 HydrophobicContact CG-CG1 3.8Å; V132-T134 HydrophobicContact CG1-CG2 4.42Å; V132-A145 HydrophobicContact CG2-CB 4.18Å; V132-L155 HydrophobicContact CG2-CB 4.08Å; V132-L155 HydrophobicContact CG2-CD1 4.05Å; V132-L155 HydrophobicContact CG2-CD2 4.09Å; V132-L155 HydrophobicContact CG2-CG 4.29Å; V132-R157 PolarHBondContact N-O 2.71Å; V132-R158 HydrophobicContact CB-CB 4.27Å; V132-R158 HydrophobicContact CB-CG 4.09Å; V132-R158 HydrophobicContact CG2-CG 4.39Å; V132-R158 CarbonylContact O-C 3.57Å; V132-R158 VanDerWaalsContact O-CA 3.32Å; V132-R158 WeakPolarHBondContact O-CA 3.2Å; V132-Y159 PolarHBondContact O-N 3.26Å
133F98.8Very high97.4Very high0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-136.2105.7168.4-160.7162.7000108.5V68 L69 Y159 H163 C164 K173 V177 V178V68-F133 HydrophobicContact CG1-CB 3.39Å; V68-F133 HydrophobicContact CG1-CD1 4.2Å; V68-F133 HydrophobicContact CG1-CG 4.31Å; L69-F133 PolarHBondContact O-N 3.04Å; F133-Y159 CarbonylContact C-O 3.58Å; F133-Y159 VanDerWaalsContact CA-O 3.28Å; F133-Y159 WeakPolarHBondContact CA-O 3.39Å; F133-Y159 VanDerWaalsContact CD2-CB 3.44Å; F133-Y159 HydrophobicContact CG-CG 4.46Å; F133-H163 HydrophobicContact CE2-CB 4.23Å; F133-H163 HydrophobicContact CZ-CB 4.36Å; F133-C164 VanDerWaalsContact CE2-SG 3.59Å; F133-K173 HydrophobicContact CB-CD 4.28Å; F133-K173 HydrophobicContact CD1-CB 3.85Å; F133-K173 HydrophobicContact CD1-CD 4.38Å; F133-K173 HydrophobicContact CD1-CG 4.25Å; F133-K173 HydrophobicContact CD2-CB 4.3Å; F133-K173 HydrophobicContact CD2-CD 3.96Å; F133-K173 HydrophobicContact CD2-CG 3.84Å; F133-K173 HydrophobicContact CE1-CB 3.64Å; F133-K173 HydrophobicContact CE1-CG 4.24Å; F133-K173 HydrophobicContact CE2-CB 4.13Å; F133-K173 HydrophobicContact CE2-CD 4.47Å; F133-K173 HydrophobicContact CE2-CG 3.84Å; F133-K173 HydrophobicContact CG-CB 4.19Å; F133-K173 HydrophobicContact CG-CD 3.92Å; F133-K173 HydrophobicContact CG-CG 4.07Å; F133-K173 HydrophobicContact CZ-CB 3.8Å; F133-K173 HydrophobicContact CZ-CG 4.04Å; F133-K173 VanDerWaalsContact O-CE 3.26Å; F133-K173 WeakPolarHBondContact O-CE 3.3Å; F133-K173 PolarHBondContact O-NZ 3.28Å; F133-V177 HydrophobicContact CE1-CG2 4.08Å; F133-V177 HydrophobicContact CZ-CG2 4.39Å; F133-V178 HydrophobicContact CD1-CG2 4.06Å; F133-V178 HydrophobicContact CE1-CG2 4.28Å
134T98.6Very high97.5Very high1 Ų128.8 Ų28.81%0.00615%0.153CC..  trans-121.3146.2-177179.60000111.5L71 V132 S136 Y159 Y160 R161L71-T134 HydrophobicContact CD1-CG2 3.98Å; L71-T134 HydrophobicContact CG-CG2 4.44Å; V132-T134 HydrophobicContact CG1-CG2 4.42Å; T134-S136 PolarHBondContact O-N 3.46Å; T134-S136 WeakPolarHBondContact OG1-CB 3.48Å; T134-S136 PolarHBondContact OG1-N 3.1Å; T134-S136 VanDerWaalsContact OG1-N 3.09Å; T134-Y159 PolarHBondContact N-O 2.82Å; T134-Y160 HydrophobicContact CG2-CD1 3.75Å; T134-Y160 CarbonylContact O-C 3.51Å; T134-Y160 VanDerWaalsContact O-CA 3.27Å; T134-Y160 WeakPolarHBondContact O-CA 3.22Å; T134-R161 PolarHBondContact O-N 3.11Å
135A97.3Very high97.6Very high27 Ų2728.8 Ų28.822%0.22315%0.153CC..SBendtrans-78.44.8169.600000113R161 Y171A135-R161 WeakPolarHBondContact O-CB 3.2Å; A135-R161 VanDerWaalsContact O-CZ 3.31Å; A135-R161 PolarHBondContact O-NE 2.99Å; A135-R161 PolarHBondContact O-NH2 2.87Å; A135-Y171 HydrophobicContact CB-CD2 4.13Å; A135-Y171 HydrophobicContact CB-CG 4.1Å
136S96.1Very high97.6Very high21 Ų2131.7 Ų31.715%0.14717%0.166CC..SBendtrans-85.2159.9177.4-72.50000112.9D72 T134 R161D72-S136 PolarHBondContact OD2-OG 2.98Å; T134-S136 PolarHBondContact O-N 3.46Å; T134-S136 WeakPolarHBondContact OG1-CB 3.48Å; T134-S136 PolarHBondContact OG1-N 3.1Å; T134-S136 VanDerWaalsContact OG1-N 3.09Å; S136-R161 WeakPolarHBondContact O-CB 3.06Å; S136-R161 PolarHBondContact O-N 2.91Å
137M95.8Very high97.7Very high93 Ų9332 Ų3246%0.45817%0.166SC..  trans-62.3142.5176.3-64.5-61.1-73.400110.7I139 Y140 G141 R161M137-I139 VanDerWaalsContact C-N 3.3Å; M137-I139 HydrophobicContact CB-CG2 4.23Å; M137-I139 PolarHBondContact O-N 3Å; M137-Y140 PolarHBondContact O-N 3Å; M137-Y140 VanDerWaalsContact O-N 3.07Å; M137-G141 PolarHBondContact O-N 2.87Å; M137-R161 VanDerWaalsContact CG-NH1 3.31Å; M137-R161 PolarHBondContact SD-NH1 2.94Å
138E97.6Very high97.8Very high91 Ų9131.2 Ų31.243%0.42516%0.163SC..Hα-helixtrans-54.4-42179.8173.5161.5-16100113.7Y140 G141 S142 Y160 Q162E138-Y140 PolarHBondContact O-N 3.41Å; E138-Y140 VanDerWaalsContact O-N 3.15Å; E138-G141 PolarHBondContact O-N 2.87Å; E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 PolarHBondContact O-OG 3.49Å; E138-Y160 HydrophobicContact CB-CD1 4.28Å; E138-Y160 HydrophobicContact CB-CD2 3.48Å; E138-Y160 VanDerWaalsContact CB-CD2 3.48Å; E138-Y160 HydrophobicContact CB-CE2 3.97Å; E138-Y160 HydrophobicContact CB-CG 3.64Å; E138-Y160 VanDerWaalsContact CD-CE2 3.46Å; E138-Y160 HydrophobicContact CG-CD2 3.46Å; E138-Y160 VanDerWaalsContact CG-CD2 3.46Å; E138-Y160 HydrophobicContact CG-CE2 3.4Å; E138-Y160 VanDerWaalsContact CG-CE2 3.4Å; E138-Y160 HydrophobicContact CG-CG 4.06Å; E138-Y160 WeakPolarHBondContact OE1-CE2 3.31Å; E138-Q162 PolarHBondContact OE2-NE2 3.4Å
139I96Very high97.8Very high75 Ų7531.7 Ų31.739%0.38517%0.166SC..Hα-helixtrans-58.7-31.3-179.4-164.7172000113V100 V101 I102 M137V100-I139 HydrophobicContact CB-CD1 4.28Å; V100-I139 HydrophobicContact CB-CG1 4.15Å; V100-I139 HydrophobicContact CG1-CG1 4.31Å; V101-I139 WeakPolarHBondContact O-CD1 3.36Å; I102-I139 HydrophobicContact CG1-CG2 4.37Å; M137-I139 VanDerWaalsContact C-N 3.3Å; M137-I139 HydrophobicContact CB-CG2 4.23Å; M137-I139 PolarHBondContact O-N 3Å
140Y96.3Very high97.7Very high10 Ų1033.3 Ų33.34%0.03918%0.177CC..Hα-helixtrans-89.5-49.9176.3164.7-94.6000111.1D72 I76 S78 L98 F109 M137 E138 S142 A143 V144D72-Y140 WeakPolarHBondContact OD1-CE1 3.49Å; D72-Y140 PolarHBondContact OD1-OH 3.05Å; D72-Y140 WeakPolarHBondContact OD2-CE1 3.33Å; I76-Y140 WeakPolarHBondContact CD1-OH 3.43Å; S78-Y140 WeakPolarHBondContact CB-OH 3.36Å; S78-Y140 PolarHBondContact OG-OH 3.14Å; L98-Y140 HydrophobicContact CD1-CD2 4.35Å; L98-Y140 HydrophobicContact CD1-CE2 4.33Å; F109-Y140 HydrophobicContact CB-CD2 4.43Å; F109-Y140 HydrophobicContact CB-CE2 4.08Å; F109-Y140 AromaticContact CD1-CD2 3.8Å; F109-Y140 HydrophobicContact CD1-CD2 3.8Å; F109-Y140 AromaticContact CD1-CE2 3.58Å; F109-Y140 HydrophobicContact CD1-CE2 3.58Å; F109-Y140 AromaticContact CD2-CD2 3.97Å; F109-Y140 HydrophobicContact CD2-CD2 3.97Å; F109-Y140 HydrophobicContact CD2-CE2 4.41Å; F109-Y140 AromaticContact CE1-CD2 3.98Å; F109-Y140 HydrophobicContact CE1-CD2 3.98Å; F109-Y140 HydrophobicContact CE1-CE2 4.08Å; F109-Y140 HydrophobicContact CE2-CD2 4.16Å; F109-Y140 AromaticContact CG-CD2 3.8Å; F109-Y140 HydrophobicContact CG-CD2 3.8Å; F109-Y140 AromaticContact CG-CE2 3.76Å; F109-Y140 HydrophobicContact CG-CE2 3.76Å; F109-Y140 HydrophobicContact CZ-CD2 4.16Å; M137-Y140 PolarHBondContact O-N 3Å; M137-Y140 VanDerWaalsContact O-N 3.07Å; E138-Y140 PolarHBondContact O-N 3.41Å; E138-Y140 VanDerWaalsContact O-N 3.15Å; Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.25Å; Y140-A143 PolarHBondContact O-N 3.45Å; Y140-V144 HydrophobicContact CD1-CG2 4.4Å; Y140-V144 HydrophobicContact CD2-CG2 4.21Å; Y140-V144 HydrophobicContact CE1-CG2 3.94Å; Y140-V144 HydrophobicContact CE2-CG2 3.7Å; Y140-V144 PolarHBondContact O-N 3.42Å
141G97.6Very high97.6Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-62.2-39.6-175.100000112.7M137 E138 V144 A145M137-G141 PolarHBondContact O-N 2.87Å; E138-G141 PolarHBondContact O-N 2.87Å; G141-V144 PolarHBondContact O-N 3.23Å; G141-A145 WeakPolarHBondContact O-CB 3.33Å; G141-A145 PolarHBondContact O-N 3.4Å
142S97.8Very high97.6Very high28 Ų2844.3 Ų44.320%0.19623%0.23CC..Hα-helixtrans-63.1-45.6176.262.50000111.4E138 Y140 V144 A145 D146 R158 Y160E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 PolarHBondContact O-OG 3.49Å; Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.25Å; S142-V144 PolarHBondContact O-N 2.81Å; S142-A145 PolarHBondContact O-N 2.83Å; S142-D146 VanDerWaalsContact O-CG 3.29Å; S142-D146 PolarHBondContact O-N 3.11Å; S142-R158 PolarHBondContact O-NH1 3.28Å; S142-Y160 WeakPolarHBondContact CA-OH 3.38Å; S142-Y160 VanDerWaalsContact CB-OH 3.22Å; S142-Y160 WeakPolarHBondContact CB-OH 3.18Å
143A97.7Very high97.5Very high21 Ų2149.1 Ų49.117%0.17426%0.255CS..Hα-helixtrans-65-37.217900000112.8L98 Y140 K147L98-A143 HydrophobicContact CD1-CB 3.95Å; L98-A143 HydrophobicContact CD2-CB 4.15Å; Y140-A143 PolarHBondContact O-N 3.45Å; A143-K147 WeakPolarHBondContact O-CG 3.39Å; A143-K147 PolarHBondContact O-N 3.07Å
144V98.3Very high97.5Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-64.6-49.3171.3172.20000110.5L71 I76 L98 Y140 G141 S142 D146 K147 L148L71-V144 HydrophobicContact CD1-CB 4.2Å; L71-V144 HydrophobicContact CD1-CG1 4.08Å; L71-V144 HydrophobicContact CD2-CG1 4.47Å; I76-V144 HydrophobicContact CD1-CG1 3.71Å; I76-V144 HydrophobicContact CD1-CG2 4.05Å; I76-V144 HydrophobicContact CG1-CG1 4.06Å; I76-V144 HydrophobicContact CG2-CG1 4.37Å; L98-V144 HydrophobicContact CD1-CB 4.39Å; L98-V144 HydrophobicContact CD1-CG2 3.45Å; L98-V144 VanDerWaalsContact CD1-CG2 3.45Å; Y140-V144 HydrophobicContact CD1-CG2 4.4Å; Y140-V144 HydrophobicContact CD2-CG2 4.21Å; Y140-V144 HydrophobicContact CE1-CG2 3.94Å; Y140-V144 HydrophobicContact CE2-CG2 3.7Å; Y140-V144 PolarHBondContact O-N 3.42Å; G141-V144 PolarHBondContact O-N 3.23Å; S142-V144 PolarHBondContact O-N 2.81Å; V144-D146 VanDerWaalsContact C-N 3.29Å; V144-D146 PolarHBondContact O-N 3.27Å; V144-K147 PolarHBondContact O-N 3.17Å; V144-K147 VanDerWaalsContact O-N 3.11Å; V144-L148 HydrophobicContact CG1-CD1 4.05Å; V144-L148 HydrophobicContact CG1-CG 4.37Å; V144-L148 PolarHBondContact O-N 3.2Å
145A98.4Very high97.5Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-59.3-39.3-179.200000111.8V132 G141 S142 K147 L148 D149 L155V132-A145 HydrophobicContact CG2-CB 4.18Å; G141-A145 WeakPolarHBondContact O-CB 3.33Å; G141-A145 PolarHBondContact O-N 3.4Å; S142-A145 PolarHBondContact O-N 2.83Å; A145-K147 PolarHBondContact O-N 3.23Å; A145-L148 PolarHBondContact O-N 2.93Å; A145-D149 VanDerWaalsContact O-CB 3.22Å; A145-D149 WeakPolarHBondContact O-CB 3.48Å; A145-D149 PolarHBondContact O-N 3.32Å; A145-L155 HydrophobicContact CB-CD1 4.48Å
146D98.3Very high97.5Very high86 Ų8656.4 Ų56.446%0.4628%0.283SS..Hα-helixtrans-63.1-40.7175.2-69.7-22.4000112.5S142 V144 D149 N150 R158S142-D146 VanDerWaalsContact O-CG 3.29Å; S142-D146 PolarHBondContact O-N 3.11Å; V144-D146 VanDerWaalsContact C-N 3.29Å; V144-D146 PolarHBondContact O-N 3.27Å; D146-D149 PolarHBondContact O-N 3.2Å; D146-N150 PolarHBondContact O-N 3.41Å; D146-R158 IonicContact OD1-CZ 2.88Å; D146-R158 IonicContact OD1-NH1 3.57Å; D146-R158 PolarHBondContact OD1-NH1 2.74Å; D146-R158 IonicContact OD1-NH2 3.62Å; D146-R158 PolarHBondContact OD1-NH2 3.36Å; D146-R158 IonicContact OD2-NH1 2.64Å
147K98.2Very high97.6Very high115 Ų11558.5 Ų58.550%0.529%0.288SS..Hα-helixtrans-67.4-35.6176.7-68.3-61.4-178.7-1710112.6F96 L98 A143 V144 A145F96-K147 HydrophobicContact CD1-CB 4.22Å; F96-K147 HydrophobicContact CD2-CB 4.03Å; F96-K147 HydrophobicContact CD2-CG 3.77Å; F96-K147 HydrophobicContact CE1-CB 3.95Å; F96-K147 HydrophobicContact CE2-CB 3.73Å; F96-K147 HydrophobicContact CE2-CG 3.83Å; F96-K147 HydrophobicContact CG-CB 4.26Å; F96-K147 HydrophobicContact CG-CG 4.18Å; F96-K147 HydrophobicContact CZ-CB 3.68Å; F96-K147 HydrophobicContact CZ-CG 4.31Å; L98-K147 HydrophobicContact CD2-CG 3.88Å; A143-K147 WeakPolarHBondContact O-CG 3.39Å; A143-K147 PolarHBondContact O-N 3.07Å; V144-K147 PolarHBondContact O-N 3.17Å; V144-K147 VanDerWaalsContact O-N 3.11Å; A145-K147 PolarHBondContact O-N 3.23Å
148L98.4Very high97.7Very high0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-75.1-40175.3-67.4179.4000112L71 L75 I76 K113 V117 L121 V144 A145 N150 R152 L155L71-L148 HydrophobicContact CD2-CD1 4.24Å; L75-L148 HydrophobicContact CB-CD1 4.28Å; L75-L148 HydrophobicContact CD1-CD1 4.2Å; I76-L148 HydrophobicContact CG2-CD1 4.09Å; I76-L148 HydrophobicContact CG2-CD2 4.04Å; I76-L148 HydrophobicContact CG2-CG 4.46Å; K113-L148 HydrophobicContact CG-CD2 4.4Å; V117-L148 HydrophobicContact CG1-CD2 4.39Å; V117-L148 HydrophobicContact CG2-CD2 4.38Å; L121-L148 HydrophobicContact CD1-CB 4.1Å; V144-L148 HydrophobicContact CG1-CD1 4.05Å; V144-L148 HydrophobicContact CG1-CG 4.37Å; V144-L148 PolarHBondContact O-N 3.2Å; A145-L148 PolarHBondContact O-N 2.93Å; L148-N150 VanDerWaalsContact C-N 3.34Å; L148-N150 PolarHBondContact O-N 3.47Å; L148-R152 PolarHBondContact O-NH2 3.25Å; L148-L155 HydrophobicContact CB-CD1 4.16Å
149D98.1Very high97.8Very high11 Ų1154.1 Ų54.16%0.05926%0.263CS..Hα-helixtrans-63.6-41.2178.6-173.984.6000111.2A145 D146 N151 R152 N153 I154 L155A145-D149 VanDerWaalsContact O-CB 3.22Å; A145-D149 WeakPolarHBondContact O-CB 3.48Å; A145-D149 PolarHBondContact O-N 3.32Å; D146-D149 PolarHBondContact O-N 3.2Å; D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 3.47Å; D149-N151 WeakPolarHBondContact OD2-CA 3.32Å; D149-N151 PolarHBondContact OD2-N 2.75Å; D149-R152 VanDerWaalsContact O-CB 3.25Å; D149-R152 WeakPolarHBondContact O-CB 3.27Å; D149-R152 VanDerWaalsContact O-CG 3.26Å; D149-R152 WeakPolarHBondContact O-CG 3.28Å; D149-R152 PolarHBondContact O-N 2.78Å; D149-R152 VanDerWaalsContact O-N 3.13Å; D149-R152 PolarHBondContact O-NE 3.29Å; D149-R152 PolarHBondContact OD2-N 3.07Å; D149-N153 PolarHBondContact OD1-N 2.86Å; D149-N153 PolarHBondContact OD2-N 2.87Å; D149-I154 VanDerWaalsContact OD1-CG1 3.29Å; D149-I154 WeakPolarHBondContact OD1-CG1 2.99Å; D149-I154 PolarHBondContact OD1-N 2.67Å; D149-L155 HydrophobicContact CB-CB 4.3Å; D149-L155 HydrophobicContact CB-CD1 4.34Å; D149-L155 HydrophobicContact CB-CG 4.39Å; D149-L155 PolarHBondContact OD1-N 3.4Å
150N96.8Very high97.9Very high113 Ų11351 Ų5160%0.60425%0.246SC*.THydrogen-bonded Turntrans52.944.9178.7-168.642.4000112.6D146 L148 R152D146-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact C-N 3.34Å; L148-N150 PolarHBondContact O-N 3.47Å; N150-R152 PolarHBondContact O-N 3.15Å
151N96.9Very high98Very high155 Ų15554.3 Ų54.383%0.82926%0.258SS*.THydrogen-bonded Turntrans61.616.6-178.9-51.1-52.2000115.1D149 N153D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 3.47Å; D149-N151 WeakPolarHBondContact OD2-CA 3.32Å; D149-N151 PolarHBondContact OD2-N 2.75Å; N151-N153 PolarHBondContact O-N 3.38Å
152R97.4Very high98Very high84 Ų8459.2 Ų59.232%0.31728%0.282SS..SBendtrans-76-16174.5-65.5179.1-71.9174.4-4.3112.3L148 D149 N150 I154L148-R152 PolarHBondContact O-NH2 3.25Å; D149-R152 VanDerWaalsContact O-CB 3.25Å; D149-R152 WeakPolarHBondContact O-CB 3.27Å; D149-R152 VanDerWaalsContact O-CG 3.26Å; D149-R152 WeakPolarHBondContact O-CG 3.28Å; D149-R152 PolarHBondContact O-N 2.78Å; D149-R152 VanDerWaalsContact O-N 3.13Å; D149-R152 PolarHBondContact O-NE 3.29Å; D149-R152 PolarHBondContact OD2-N 3.07Å; N150-R152 PolarHBondContact O-N 3.15Å; R152-I154 VanDerWaalsContact C-N 3.27Å; R152-I154 HydrophobicContact CB-CD1 4.44Å; R152-I154 HydrophobicContact CB-CG1 4.18Å; R152-I154 HydrophobicContact CB-CG2 4.07Å; R152-I154 PolarHBondContact O-N 3.35Å
153N97.4Very high98Very high100 Ų10061.6 Ų61.654%0.53529%0.289SS..  trans63.633.1176.1-151.619.3000113D149 N151 K156D149-N153 PolarHBondContact OD1-N 2.86Å; D149-N153 PolarHBondContact OD2-N 2.87Å; N151-N153 PolarHBondContact O-N 3.38Å; N153-K156 WeakPolarHBondContact ND2-CE 3.46Å; N153-K156 PolarHBondContact ND2-NZ 3.22Å; N153-K156 WeakPolarHBondContact O-CE 3.41Å; N153-K156 WeakPolarHBondContact OD1-CE 3.42Å; N153-K156 VanDerWaalsContact OD1-CG 3.3Å; N153-K156 WeakPolarHBondContact OD1-CG 3.39Å
154I98.4Very high98Very high38 Ų3861.3 Ų61.320%0.19529%0.286CS..  trans-97-24-178.660.3172.2000112.2L121 L130 D149 R152L121-I154 HydrophobicContact CB-CD1 4.16Å; L130-I154 HydrophobicContact CD1-CB 4.47Å; L130-I154 HydrophobicContact CD1-CD1 4.24Å; D149-I154 VanDerWaalsContact OD1-CG1 3.29Å; D149-I154 WeakPolarHBondContact OD1-CG1 2.99Å; D149-I154 PolarHBondContact OD1-N 2.67Å; R152-I154 VanDerWaalsContact C-N 3.27Å; R152-I154 HydrophobicContact CB-CD1 4.44Å; R152-I154 HydrophobicContact CB-CG1 4.18Å; R152-I154 HydrophobicContact CB-CG2 4.07Å; R152-I154 PolarHBondContact O-N 3.35Å
155L98.4Very high97.9Very high1 Ų165.3 Ų65.31%0.00531%0.31CS..  trans-10650.3179.2-58.4-177.2000112.1L69 L121 L130 V132 A145 L148 D149 R158L69-L155 HydrophobicContact CD1-CD2 4.35Å; L121-L155 HydrophobicContact CD2-CD2 4.44Å; L130-L155 HydrophobicContact CB-CD2 3.77Å; L130-L155 HydrophobicContact CD1-CD2 3.98Å; V132-L155 HydrophobicContact CG2-CB 4.08Å; V132-L155 HydrophobicContact CG2-CD1 4.05Å; V132-L155 HydrophobicContact CG2-CD2 4.09Å; V132-L155 HydrophobicContact CG2-CG 4.29Å; A145-L155 HydrophobicContact CB-CD1 4.48Å; L148-L155 HydrophobicContact CB-CD1 4.16Å; D149-L155 HydrophobicContact CB-CB 4.3Å; D149-L155 HydrophobicContact CB-CD1 4.34Å; D149-L155 HydrophobicContact CB-CG 4.39Å; D149-L155 PolarHBondContact OD1-N 3.4Å; L155-R158 PolarHBondContact O-NE 3.44Å; L155-R158 PolarHBondContact O-NH2 2.99Å
156K97Very high97.7Very high142 Ų14270.4 Ų70.462%0.61734%0.337SS*.  trans-71-42.6-175.7-70.6176.6178.1175.20113.9N153N153-K156 WeakPolarHBondContact ND2-CE 3.46Å; N153-K156 PolarHBondContact ND2-NZ 3.22Å; N153-K156 WeakPolarHBondContact O-CE 3.41Å; N153-K156 WeakPolarHBondContact OD1-CE 3.42Å; N153-K156 VanDerWaalsContact OD1-CG 3.3Å; N153-K156 WeakPolarHBondContact OD1-CG 3.39Å
157R98.4Very high97.3Very high65 Ų6569.4 Ų69.425%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-89.9123-176-70.1174.263.5-167.6-2.7108.9E129 V131 V132 Y159 V178E129-R157 WeakPolarHBondContact OE1-CD 3.32Å; E129-R157 IonicContact OE1-CZ 2.72Å; E129-R157 IonicContact OE1-NE 3.85Å; E129-R157 IonicContact OE1-NH1 3.67Å; E129-R157 PolarHBondContact OE1-NH1 2.93Å; E129-R157 IonicContact OE2-NH1 3.51Å; V131-R157 WeakPolarHBondContact CA-O 3.36Å; V131-R157 HydrophobicContact CG1-CB 4.36Å; V131-R157 HydrophobicContact CG2-CB 3.97Å; V132-R157 PolarHBondContact N-O 2.71Å; R157-Y159 PolarHBondContact NH2-OH 3.21Å; R157-V178 PolarHBondContact NH2-O 3.25Å
158R98.7Very high96.6Very high52 Ų5271.2 Ų71.220%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-140.9131.3-170.6-52.8-178.1-177.1172.42110.4V132 S142 D146 L155 Y160V132-R158 HydrophobicContact CB-CB 4.27Å; V132-R158 HydrophobicContact CB-CG 4.09Å; V132-R158 HydrophobicContact CG2-CG 4.39Å; V132-R158 CarbonylContact O-C 3.57Å; V132-R158 VanDerWaalsContact O-CA 3.32Å; V132-R158 WeakPolarHBondContact O-CA 3.2Å; S142-R158 PolarHBondContact O-NH1 3.28Å; D146-R158 IonicContact OD1-CZ 2.88Å; D146-R158 IonicContact OD1-NH1 3.57Å; D146-R158 PolarHBondContact OD1-NH1 2.74Å; D146-R158 IonicContact OD1-NH2 3.62Å; D146-R158 PolarHBondContact OD1-NH2 3.36Å; D146-R158 IonicContact OD2-NH1 2.64Å; L155-R158 PolarHBondContact O-NE 3.44Å; L155-R158 PolarHBondContact O-NH2 2.99Å; R158-Y160 HydrophobicContact CB-CE1 4.09Å; R158-Y160 HydrophobicContact CB-CE2 4.04Å; R158-Y160 WeakPolarHBondContact CB-OH 3.26Å; R158-Y160 WeakPolarHBondContact CD-OH 3.42Å
159Y98.8Very high96Very high40 Ų4074.6 Ų74.616%0.15738%0.381CS..EExtended strand (participates in β ladder)trans-123.3131.4176.1-59.7-99.5000107.9V131 V132 F133 T134 R157 H163 V177 V178V131-Y159 HydrophobicContact CG1-CD2 3.59Å; V131-Y159 HydrophobicContact CG1-CE2 3.61Å; V132-Y159 PolarHBondContact O-N 3.26Å; F133-Y159 CarbonylContact C-O 3.58Å; F133-Y159 VanDerWaalsContact CA-O 3.28Å; F133-Y159 WeakPolarHBondContact CA-O 3.39Å; F133-Y159 VanDerWaalsContact CD2-CB 3.44Å; F133-Y159 HydrophobicContact CG-CG 4.46Å; T134-Y159 PolarHBondContact N-O 2.82Å; R157-Y159 PolarHBondContact NH2-OH 3.21Å; Y159-H163 HydrophobicContact CD1-CB 4.1Å; Y159-H163 AromaticContact CD1-CG 3.98Å; Y159-V177 HydrophobicContact CD1-CG2 4.08Å; Y159-V177 HydrophobicContact CE1-CG2 3.91Å; Y159-V177 PolarHBondContact OH-O 3.35Å; Y159-V177 VanDerWaalsContact OH-O 3.05Å; Y159-V178 HydrophobicContact CD2-CG2 4.28Å; Y159-V178 HydrophobicContact CE2-CG1 4.47Å; Y159-V178 HydrophobicContact CE2-CG2 3.96Å
160Y98.5Very high95.6Very high11 Ų1175.9 Ų75.94%0.04339%0.391CS..  trans-117.5-176-177.8-48-73.4000111.1T134 E138 S142 R158 Q162 H163T134-Y160 HydrophobicContact CG2-CD1 3.75Å; T134-Y160 CarbonylContact O-C 3.51Å; T134-Y160 VanDerWaalsContact O-CA 3.27Å; T134-Y160 WeakPolarHBondContact O-CA 3.22Å; E138-Y160 HydrophobicContact CB-CD1 4.28Å; E138-Y160 HydrophobicContact CB-CD2 3.48Å; E138-Y160 VanDerWaalsContact CB-CD2 3.48Å; E138-Y160 HydrophobicContact CB-CE2 3.97Å; E138-Y160 HydrophobicContact CB-CG 3.64Å; E138-Y160 VanDerWaalsContact CD-CE2 3.46Å; E138-Y160 HydrophobicContact CG-CD2 3.46Å; E138-Y160 VanDerWaalsContact CG-CD2 3.46Å; E138-Y160 HydrophobicContact CG-CE2 3.4Å; E138-Y160 VanDerWaalsContact CG-CE2 3.4Å; E138-Y160 HydrophobicContact CG-CG 4.06Å; E138-Y160 WeakPolarHBondContact OE1-CE2 3.31Å; S142-Y160 WeakPolarHBondContact CA-OH 3.38Å; S142-Y160 VanDerWaalsContact CB-OH 3.22Å; S142-Y160 WeakPolarHBondContact CB-OH 3.18Å; R158-Y160 HydrophobicContact CB-CE1 4.09Å; R158-Y160 HydrophobicContact CB-CE2 4.04Å; R158-Y160 WeakPolarHBondContact CB-OH 3.26Å; R158-Y160 WeakPolarHBondContact CD-OH 3.42Å; Y160-Q162 PolarHBondContact O-N 2.76Å; Y160-H163 PolarHBondContact N-ND1 2.74Å; Y160-H163 WeakPolarHBondContact O-CB 3.42Å; Y160-H163 PolarHBondContact O-N 2.79Å; Y160-H163 PolarHBondContact O-ND1 2.7Å; Y160-H163 VanDerWaalsContact O-ND1 3.15Å
161R97.8Very high95.6Very high78 Ų7874.3 Ų74.329%0.29438%0.377SS..G310 helixtrans-43.4-41.9-177.9-174.6174.5-66.4162.11.9115.3T134 A135 S136 M137 H163 C164 Y171T134-R161 PolarHBondContact O-N 3.11Å; A135-R161 WeakPolarHBondContact O-CB 3.2Å; A135-R161 VanDerWaalsContact O-CZ 3.31Å; A135-R161 PolarHBondContact O-NE 2.99Å; A135-R161 PolarHBondContact O-NH2 2.87Å; S136-R161 WeakPolarHBondContact O-CB 3.06Å; S136-R161 PolarHBondContact O-N 2.91Å; M137-R161 VanDerWaalsContact CG-NH1 3.31Å; M137-R161 PolarHBondContact SD-NH1 2.94Å; R161-H163 PolarHBondContact O-N 2.76Å; R161-C164 WeakPolarHBondContact O-CB 3.46Å; R161-C164 PolarHBondContact O-N 2.61Å; R161-Y171 HydrophobicContact CG-CD1 4.03Å; R161-Y171 HydrophobicContact CG-CE1 3.51Å; R161-Y171 HydrophobicContact CG-CE2 4.46Å
162Q97.4Very high95.7Very high104 Ų10467.5 Ų67.549%0.48634%0.34SS..G310 helixtrans-65.9-15.6-178.769.1-88.318.600114.3E138 Y160E138-Q162 PolarHBondContact OE2-NE2 3.4Å; Y160-Q162 PolarHBondContact O-N 2.76Å
163H98Very high95.7Very high77 Ų7763.6 Ų63.636%0.35633%0.326SS..G310 helixtrans-95.1-6.4175.8-48.291000112.3F133 Y159 Y160 R161F133-H163 HydrophobicContact CE2-CB 4.23Å; F133-H163 HydrophobicContact CZ-CB 4.36Å; Y159-H163 HydrophobicContact CD1-CB 4.1Å; Y159-H163 AromaticContact CD1-CG 3.98Å; Y160-H163 PolarHBondContact N-ND1 2.74Å; Y160-H163 WeakPolarHBondContact O-CB 3.42Å; Y160-H163 PolarHBondContact O-N 2.79Å; Y160-H163 PolarHBondContact O-ND1 2.7Å; Y160-H163 VanDerWaalsContact O-ND1 3.15Å; R161-H163 PolarHBondContact O-N 2.76Å
164C97.8Very high95.7Very high16 Ų1661 Ų6111%0.10831%0.312CS..SBendtrans-82.4150.4173.9-60.90000110.4F133 R161 Y171 I172F133-C164 VanDerWaalsContact CE2-SG 3.59Å; R161-C164 WeakPolarHBondContact O-CB 3.46Å; R161-C164 PolarHBondContact O-N 2.61Å; C164-Y171 HydrophobicContact CB-CD1 3.78Å; C164-Y171 HydrophobicContact CB-CG 4.25Å; C164-I172 CarbonylContact C-O 3.58Å; C164-I172 VanDerWaalsContact CA-O 3.27Å; C164-I172 WeakPolarHBondContact CA-O 3.1Å; C164-I172 WeakPolarHBondContact CB-O 3.31Å
165T96.4Very high95.7Very high83 Ų8359.2 Ų59.251%0.50930%0.303SS..EExtended strand (participates in β ladder)trans-88.9123.6165.4-61.80000108.9D167 I172T165-D167 PolarHBondContact O-N 3.26Å; T165-I172 PolarHBondContact N-O 2.87Å; T165-I172 PolarHBondContact O-N 2.9Å
166L94.5Very high95.6Very high108 Ų10861.7 Ų61.757%0.56532%0.32SS*.EExtended strand (participates in β ladder)trans-82.5113.5174-178.965.3000109.3Y171L166-Y171 HydrophobicContact CB-CD1 4.41Å; L166-Y171 HydrophobicContact CB-CE1 4.27Å; L166-Y171 HydrophobicContact CD1-CD1 4.15Å; L166-Y171 HydrophobicContact CD1-CE1 3.95Å; L166-Y171 HydrophobicContact CD1-CE2 4.33Å; L166-Y171 HydrophobicContact CD1-CG 4.44Å
167D89.7Confident95.6Very high65 Ų6558.1 Ų58.135%0.34831%0.31SS..EExtended strand (participates in β ladder)trans-137.5129.3179.4176.847.6000110.6T165 G169 S170 I172 R196T165-D167 PolarHBondContact O-N 3.26Å; D167-G169 PolarHBondContact O-N 3.3Å; D167-G169 VanDerWaalsContact O-N 3.11Å; D167-S170 PolarHBondContact N-O 2.99Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-O 3.1Å; D167-I172 HydrophobicContact CB-CD1 3.6Å; D167-I172 HydrophobicContact CB-CG1 4.27Å; D167-R196 IonicContact OD2-NH1 2.71Å; D167-R196 PolarHBondContact OD2-NH1 3.07Å
168L84.8Confident95.5Very high152 Ų15255.4 Ų55.480%0.79630%0.301SS*.THydrogen-bonded Turntrans47.440.6-178.7-60172.9000113.5S170L168-S170 PolarHBondContact O-N 3.04Å
169G85.6Confident95.4Very high72 Ų7256.6 Ų56.674%0.74231%0.309SS*.THydrogen-bonded Turntrans73.55.9-179.600000115.2D167D167-G169 PolarHBondContact O-N 3.3Å; D167-G169 VanDerWaalsContact O-N 3.11Å
170S89.4Confident95.3Very high37 Ų3762 Ų6226%0.25934%0.34SS..EExtended strand (participates in β ladder)trans-111142.4176-60.30000110.7D167 L168D167-S170 PolarHBondContact N-O 2.99Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-O 3.1Å; L168-S170 PolarHBondContact O-N 3.04Å
171Y96.9Very high95.2Very high81 Ų8163.4 Ų63.432%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-87.6110.2171.7-72-76.5000109.6A135 R161 C164 L166 A194A135-Y171 HydrophobicContact CB-CD2 4.13Å; A135-Y171 HydrophobicContact CB-CG 4.1Å; R161-Y171 HydrophobicContact CG-CD1 4.03Å; R161-Y171 HydrophobicContact CG-CE1 3.51Å; R161-Y171 HydrophobicContact CG-CE2 4.46Å; C164-Y171 HydrophobicContact CB-CD1 3.78Å; C164-Y171 HydrophobicContact CB-CG 4.25Å; L166-Y171 HydrophobicContact CB-CD1 4.41Å; L166-Y171 HydrophobicContact CB-CE1 4.27Å; L166-Y171 HydrophobicContact CD1-CD1 4.15Å; L166-Y171 HydrophobicContact CD1-CE1 3.95Å; L166-Y171 HydrophobicContact CD1-CE2 4.33Å; L166-Y171 HydrophobicContact CD1-CG 4.44Å; Y171-A194 WeakPolarHBondContact O-CA 3.19Å
172I97.6Very high95.2Very high11 Ų1161.4 Ų61.46%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-89.5132.9178-55.5-177.3000109.7C164 T165 D167 S197C164-I172 CarbonylContact C-O 3.58Å; C164-I172 VanDerWaalsContact CA-O 3.27Å; C164-I172 WeakPolarHBondContact CA-O 3.1Å; C164-I172 WeakPolarHBondContact CB-O 3.31Å; T165-I172 PolarHBondContact N-O 2.87Å; T165-I172 PolarHBondContact O-N 2.9Å; D167-I172 HydrophobicContact CB-CD1 3.6Å; D167-I172 HydrophobicContact CB-CG1 4.27Å; I172-S197 WeakPolarHBondContact CG2-OG 3.32Å
173K98.1Very high95.2Very high2 Ų257.3 Ų57.31%0.00933%0.326CS..  trans-99.398.5177.3-59.9177.2-174.5176.30108.6D70 F133 L175 I187 D189 A194D70-K173 VanDerWaalsContact CG-NZ 3.28Å; D70-K173 IonicContact OD1-NZ 3.48Å; D70-K173 PolarHBondContact OD1-NZ 2.81Å; F133-K173 HydrophobicContact CB-CD 4.28Å; F133-K173 HydrophobicContact CD1-CB 3.85Å; F133-K173 HydrophobicContact CD1-CD 4.38Å; F133-K173 HydrophobicContact CD1-CG 4.25Å; F133-K173 HydrophobicContact CD2-CB 4.3Å; F133-K173 HydrophobicContact CD2-CD 3.96Å; F133-K173 HydrophobicContact CD2-CG 3.84Å; F133-K173 HydrophobicContact CE1-CB 3.64Å; F133-K173 HydrophobicContact CE1-CG 4.24Å; F133-K173 HydrophobicContact CE2-CB 4.13Å; F133-K173 HydrophobicContact CE2-CD 4.47Å; F133-K173 HydrophobicContact CE2-CG 3.84Å; F133-K173 HydrophobicContact CG-CB 4.19Å; F133-K173 HydrophobicContact CG-CD 3.92Å; F133-K173 HydrophobicContact CG-CG 4.07Å; F133-K173 HydrophobicContact CZ-CB 3.8Å; F133-K173 HydrophobicContact CZ-CG 4.04Å; F133-K173 VanDerWaalsContact O-CE 3.26Å; F133-K173 WeakPolarHBondContact O-CE 3.3Å; F133-K173 PolarHBondContact O-NZ 3.28Å; K173-L175 PolarHBondContact O-N 3.44Å; K173-I187 HydrophobicContact CB-CD1 4.28Å; K173-I187 HydrophobicContact CD-CD1 3.93Å; K173-D189 WeakPolarHBondContact CE-OD2 3.21Å; K173-D189 IonicContact NZ-OD2 3.96Å; K173-D189 PolarHBondContact NZ-OD2 3.49Å; K173-A194 WeakPolarHBondContact CB-O 3.38Å; K173-A194 HydrophobicContact CD-CB 4.07Å; K173-A194 HydrophobicContact CG-CB 4.32Å; K173-A194 PolarHBondContact N-O 3.31Å
174D97.2Very high95.1Very high47 Ų4754 Ų5425%0.25131%0.312SS..  trans-73.6116.3174.8-175.5-13.4000109.4S176 V177 H198D174-S176 VanDerWaalsContact C-N 3.29Å; D174-S176 PolarHBondContact O-N 3.1Å; D174-S176 VanDerWaalsContact OD1-CB 3.31Å; D174-S176 WeakPolarHBondContact OD1-CB 3.47Å; D174-S176 PolarHBondContact OD1-N 3.49Å; D174-S176 PolarHBondContact OD1-OG 3.45Å; D174-S176 PolarHBondContact OD2-OG 2.94Å; D174-V177 HydrophobicContact CB-CG1 4.13Å; D174-V177 WeakPolarHBondContact O-CG2 3.37Å; D174-H198 IonicContact OD1-CE1 3.67Å; D174-H198 PolarHBondContact OD1-CE1 3.1Å; D174-H198 IonicContact OD1-NE2 3.4Å
175L98.3Very high95.1Very high0 Ų053.2 Ų53.20%031%0.306CS..G310 helixtrans-75.2-18.2-177.5-62.8-174.5000113V68 K173 V177 V178 H179 L182 I185 I187 H198 N201V68-L175 HydrophobicContact CG1-CD2 4.43Å; V68-L175 HydrophobicContact CG2-CD2 4.21Å; K173-L175 PolarHBondContact O-N 3.44Å; L175-V177 PolarHBondContact O-N 3.09Å; L175-V178 WeakPolarHBondContact O-CB 3.46Å; L175-V178 PolarHBondContact O-N 3.23Å; L175-H179 PolarHBondContact O-N 2.95Å; L175-L182 HydrophobicContact CB-CD2 3.83Å; L175-I185 HydrophobicContact CB-CD1 4.38Å; L175-I185 HydrophobicContact CB-CG2 4.5Å; L175-I185 HydrophobicContact CD1-CG2 4.03Å; L175-I185 HydrophobicContact CD2-CG2 4.36Å; L175-I187 HydrophobicContact CD1-CB 4.26Å; L175-I187 HydrophobicContact CD1-CG2 3.97Å; L175-I187 HydrophobicContact CD2-CB 4.14Å; L175-I187 HydrophobicContact CD2-CD1 4.06Å; L175-H198 HydrophobicContact CD1-CB 3.68Å; L175-H198 HydrophobicContact CG-CB 4.04Å; L175-H198 PolarHBondContact N-CE1 3.18Å; L175-H198 VanDerWaalsContact N-CE1 3.3Å; L175-H198 PolarHBondContact N-ND1 3.13Å; L175-N201 HydrophobicContact CD1-CB 3.59Å
176S96.6Very high95.2Very high52 Ų5249.3 Ų49.336%0.36428%0.282SS..G310 helixtrans-63.8-26.9176.969.80000112.3D174 V178D174-S176 VanDerWaalsContact C-N 3.29Å; D174-S176 PolarHBondContact O-N 3.1Å; D174-S176 VanDerWaalsContact OD1-CB 3.31Å; D174-S176 WeakPolarHBondContact OD1-CB 3.47Å; D174-S176 PolarHBondContact OD1-N 3.49Å; D174-S176 PolarHBondContact OD1-OG 3.45Å; D174-S176 PolarHBondContact OD2-OG 2.94Å; S176-V178 PolarHBondContact O-N 3.11Å
177V96.4Very high95.4Very high67 Ų6744.1 Ų44.141%0.40626%0.255SS..G310 helixtrans-71.2-17.5174.7-43.10000112.9F133 Y159 D174 L175F133-V177 HydrophobicContact CE1-CG2 4.08Å; F133-V177 HydrophobicContact CZ-CG2 4.39Å; Y159-V177 HydrophobicContact CD1-CG2 4.08Å; Y159-V177 HydrophobicContact CE1-CG2 3.91Å; Y159-V177 PolarHBondContact OH-O 3.35Å; Y159-V177 VanDerWaalsContact OH-O 3.05Å; D174-V177 HydrophobicContact CB-CG1 4.13Å; D174-V177 WeakPolarHBondContact O-CG2 3.37Å; L175-V177 PolarHBondContact O-N 3.09Å
178V97.6Very high95.9Very high9 Ų941.1 Ų41.16%0.05524%0.239CC..THydrogen-bonded Turntrans-87.7-47.8177.2-177.50000109.5I66 V68 V131 F133 R157 Y159 L175 S176I66-V178 HydrophobicContact CG2-CG1 4.09Å; V68-V178 HydrophobicContact CG2-CG1 4.13Å; V68-V178 HydrophobicContact CG2-CG2 4.36Å; V131-V178 HydrophobicContact CB-CG1 4.44Å; V131-V178 HydrophobicContact CG1-CG1 4.12Å; V131-V178 HydrophobicContact CG2-CG1 4.04Å; F133-V178 HydrophobicContact CD1-CG2 4.06Å; F133-V178 HydrophobicContact CE1-CG2 4.28Å; R157-V178 PolarHBondContact NH2-O 3.25Å; Y159-V178 HydrophobicContact CD2-CG2 4.28Å; Y159-V178 HydrophobicContact CE2-CG1 4.47Å; Y159-V178 HydrophobicContact CE2-CG2 3.96Å; L175-V178 WeakPolarHBondContact O-CB 3.46Å; L175-V178 PolarHBondContact O-N 3.23Å; S176-V178 PolarHBondContact O-N 3.11Å
179H97.1Very high96.5Very high77 Ų7734 Ų3436%0.35620%0.202SC..  trans-164.1146.1178.4-169-88.6000110.7I66 L175 D181 I185I66-H179 HydrophobicContact CD1-CB 3.6Å; L175-H179 PolarHBondContact O-N 2.95Å; H179-D181 WeakPolarHBondContact CE1-CB 3.33Å; H179-D181 VanDerWaalsContact ND1-CB 3.33Å; H179-D181 WeakPolarHBondContact ND1-CB 3.18Å; H179-D181 PolarHBondContact ND1-N 3.17Å; H179-D181 PolarHBondContact O-N 2.82Å; H179-I185 HydrophobicContact CB-CD1 3.65Å; H179-I185 HydrophobicContact CB-CG1 4.21Å; H179-I185 WeakPolarHBondContact O-CD1 3.3Å
180D94.9Very high97Very high153 Ų15331.6 Ų31.682%0.81817%0.172SC*.SBendtrans-69.8-34-177.6-59.9-38.2000112.7L182D180-L182 PolarHBondContact O-N 3.24Å; D180-L182 VanDerWaalsContact O-N 3.1Å
181D96.5Very high97.3Very high40 Ų4032.3 Ų32.321%0.21418%0.177CC..  trans-81.883.5-179.9-168.1-3.1000112.1K63 H179 S183 S184K63-D181 IonicContact NZ-OD2 2.76Å; K63-D181 PolarHBondContact NZ-OD2 3.31Å; H179-D181 WeakPolarHBondContact CE1-CB 3.33Å; H179-D181 VanDerWaalsContact ND1-CB 3.33Å; H179-D181 WeakPolarHBondContact ND1-CB 3.18Å; H179-D181 PolarHBondContact ND1-N 3.17Å; H179-D181 PolarHBondContact O-N 2.82Å; D181-S183 PolarHBondContact O-N 3.18Å; D181-S183 VanDerWaalsContact O-N 3.13Å; D181-S183 VanDerWaalsContact OD1-CB 3.29Å; D181-S183 WeakPolarHBondContact OD1-CB 3.05Å; D181-S183 PolarHBondContact OD1-N 2.92Å; D181-S183 PolarHBondContact OD1-OG 3.35Å; D181-S184 PolarHBondContact O-N 2.85Å; D181-S184 VanDerWaalsContact O-N 3.13Å
182L97.6Very high97.1Very high37 Ų3730.4 Ų30.419%0.19417%0.174CC..G310 helixtrans-60.7-17.9176.9-65.8179.5000113.6L175 D180 S184 I185 N201L175-L182 HydrophobicContact CB-CD2 3.83Å; D180-L182 PolarHBondContact O-N 3.24Å; D180-L182 VanDerWaalsContact O-N 3.1Å; L182-S184 PolarHBondContact O-N 2.87Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-I185 HydrophobicContact CD2-CD1 4Å; L182-I185 PolarHBondContact O-N 3.01Å; L182-N201 PolarHBondContact O-ND2 2.87Å
183S97.5Very high97Very high17 Ų1730.3 Ų30.312%0.11918%0.177CC..G310 helixtrans-65.1-16.5176.3790000112.8D181 D232 V233D181-S183 PolarHBondContact O-N 3.18Å; D181-S183 VanDerWaalsContact O-N 3.13Å; D181-S183 VanDerWaalsContact OD1-CB 3.29Å; D181-S183 WeakPolarHBondContact OD1-CB 3.05Å; D181-S183 PolarHBondContact OD1-N 2.92Å; D181-S183 PolarHBondContact OD1-OG 3.35Å; S183-D232 WeakPolarHBondContact CA-OD1 3.49Å; S183-D232 VanDerWaalsContact CB-CG 3.48Å; S183-D232 WeakPolarHBondContact O-CA 3.22Å; S183-V233 WeakPolarHBondContact O-CG2 3.45Å; S183-V233 PolarHBondContact O-N 3.45Å
184S97.1Very high96.9Very high8 Ų830.5 Ų30.56%0.05618%0.179CC..G310 helixtrans-113.45.5-174.6-65.60000114.2K65 I66 D181 L182K65-S184 CarbonylContact C-O 3.56Å; K65-S184 WeakPolarHBondContact CA-O 3.29Å; K65-S184 VanDerWaalsContact CB-O 3.32Å; K65-S184 WeakPolarHBondContact CB-O 3.35Å; I66-S184 PolarHBondContact N-O 3.3Å; D181-S184 PolarHBondContact O-N 2.85Å; D181-S184 VanDerWaalsContact O-N 3.13Å; L182-S184 PolarHBondContact O-N 2.87Å; L182-S184 VanDerWaalsContact O-N 3.14Å
185I98.3Very high96.8Very high0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans-110.8132.9-177.8-50.8176.7000110.7I66 V68 L175 H179 L182 N201 V233I66-I185 HydrophobicContact CB-CG1 4.41Å; I66-I185 HydrophobicContact CD1-CG1 4.44Å; I66-I185 WeakPolarHBondContact O-CA 3.35Å; V68-I185 HydrophobicContact CG2-CG2 3.75Å; L175-I185 HydrophobicContact CB-CD1 4.38Å; L175-I185 HydrophobicContact CB-CG2 4.5Å; L175-I185 HydrophobicContact CD1-CG2 4.03Å; L175-I185 HydrophobicContact CD2-CG2 4.36Å; H179-I185 HydrophobicContact CB-CD1 3.65Å; H179-I185 HydrophobicContact CB-CG1 4.21Å; H179-I185 WeakPolarHBondContact O-CD1 3.3Å; L182-I185 HydrophobicContact CD2-CD1 4Å; L182-I185 PolarHBondContact O-N 3.01Å; I185-N201 PolarHBondContact O-ND2 2.6Å; I185-V233 WeakPolarHBondContact O-CG2 3.33Å
186V98.5Very high96.5Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-121.4133.9170.4-178.60000108.5I66 L67 V68 N201 I203 L227 V233 L237I66-V186 PolarHBondContact O-N 3.2Å; L67-V186 CarbonylContact C-O 3.55Å; L67-V186 WeakPolarHBondContact CA-O 3.36Å; L67-V186 HydrophobicContact CD1-CB 4Å; L67-V186 HydrophobicContact CD1-CG1 3.94Å; V68-V186 PolarHBondContact N-O 3.17Å; V186-N201 CarbonylContact C-O 3.56Å; V186-N201 WeakPolarHBondContact CA-O 3.19Å; V186-I203 HydrophobicContact CG1-CD1 3.51Å; V186-I203 HydrophobicContact CG1-CG1 3.78Å; V186-L227 HydrophobicContact CG2-CD1 4.29Å; V186-V233 HydrophobicContact CG2-CB 3.96Å; V186-V233 HydrophobicContact CG2-CG1 3.82Å; V186-V233 HydrophobicContact CG2-CG2 3.94Å; V186-L237 HydrophobicContact CG1-CD1 4.02Å; V186-L237 HydrophobicContact CG2-CD1 4.11Å
187I98.6Very high96.4Very high0 Ų034.6 Ų34.60%019%0.193CC..EExtended strand (participates in β ladder)trans-108.6129.9171.6-177.2166.5000111V68 K173 L175 D189 Y195 N201 A202 I203V68-I187 HydrophobicContact CB-CB 4.13Å; V68-I187 HydrophobicContact CB-CG1 4.18Å; V68-I187 HydrophobicContact CG1-CB 4.44Å; V68-I187 HydrophobicContact CG1-CD1 4.07Å; V68-I187 HydrophobicContact CG1-CG1 4.01Å; V68-I187 WeakPolarHBondContact O-CA 3.39Å; K173-I187 HydrophobicContact CB-CD1 4.28Å; K173-I187 HydrophobicContact CD-CD1 3.93Å; L175-I187 HydrophobicContact CD1-CB 4.26Å; L175-I187 HydrophobicContact CD1-CG2 3.97Å; L175-I187 HydrophobicContact CD2-CB 4.14Å; L175-I187 HydrophobicContact CD2-CD1 4.06Å; I187-D189 HydrophobicContact CD1-CB 4.36Å; I187-D189 HydrophobicContact CG1-CB 4.13Å; I187-Y195 HydrophobicContact CG2-CG 4.44Å; I187-N201 PolarHBondContact N-O 3.34Å; I187-A202 HydrophobicContact CG2-CB 3.81Å; I187-A202 CarbonylContact O-C 3.56Å; I187-A202 WeakPolarHBondContact O-CA 3.44Å; I187-I203 PolarHBondContact O-N 3Å
188L98.6Very high96.4Very high2 Ų232.6 Ų32.61%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-107.1114171.8178.563.3000109.3L67 V68 L69 D70 T74 F120 I203 I205 L217 L220L67-L188 HydrophobicContact CD1-CB 4.49Å; V68-L188 PolarHBondContact O-N 2.89Å; L69-L188 HydrophobicContact CD2-CB 4.17Å; L69-L188 HydrophobicContact CD2-CD2 3.99Å; D70-L188 PolarHBondContact N-O 2.76Å; T74-L188 HydrophobicContact CG2-CD2 4.39Å; T74-L188 HydrophobicContact CG2-CG 4.11Å; F120-L188 HydrophobicContact CE1-CD2 4.37Å; F120-L188 HydrophobicContact CZ-CD2 3.94Å; L188-I203 HydrophobicContact CD1-CB 4.13Å; L188-I203 HydrophobicContact CD1-CG2 3.87Å; L188-I203 WeakPolarHBondContact CD1-O 3.16Å; L188-I205 HydrophobicContact CD1-CB 3.68Å; L188-I205 HydrophobicContact CD1-CD1 4.11Å; L188-I205 HydrophobicContact CD1-CG1 4.45Å; L188-I205 HydrophobicContact CD1-CG2 3.71Å; L188-I205 HydrophobicContact CD2-CD1 4.48Å; L188-I205 HydrophobicContact CG-CG2 4.17Å; L188-L217 HydrophobicContact CD2-CD2 4.11Å; L188-L220 HydrophobicContact CD1-CD1 3.5Å; L188-L220 VanDerWaalsContact CD1-CD1 3.5Å; L188-L220 HydrophobicContact CD2-CD1 3.99Å; L188-L220 HydrophobicContact CG-CD1 4.42Å
189D98.2Very high96.3Very high1 Ų134.3 Ų34.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-156.1142.7-172.5-163.4-50.4000110.7D70 K173 I187 S191 A194 Y195 I203 I205D70-D189 HydrophobicContact CB-CB 4.11Å; K173-D189 WeakPolarHBondContact CE-OD2 3.21Å; K173-D189 IonicContact NZ-OD2 3.96Å; K173-D189 PolarHBondContact NZ-OD2 3.49Å; I187-D189 HydrophobicContact CD1-CB 4.36Å; I187-D189 HydrophobicContact CG1-CB 4.13Å; D189-S191 WeakPolarHBondContact OD1-CB 3.31Å; D189-S191 PolarHBondContact OD1-N 3.25Å; D189-A194 VanDerWaalsContact OD2-CB 3.23Å; D189-A194 WeakPolarHBondContact OD2-CB 3.38Å; D189-Y195 HydrophobicContact CB-CD1 3.73Å; D189-Y195 HydrophobicContact CB-CE1 3.88Å; D189-I203 PolarHBondContact N-O 2.71Å; D189-I205 PolarHBondContact O-N 3.35Å
190N96.7Very high96.2Very high22 Ų2233.6 Ų33.612%0.11819%0.189CC..SBendtrans-85-12.2-179.871.1-56.3000113.9D70 E73 T74 I205 S207D70-N190 PolarHBondContact OD2-OD1 3.48Å; E73-N190 WeakPolarHBondContact CB-ND2 3.29Å; T74-N190 PolarHBondContact OG1-N 2.9Å; T74-N190 PolarHBondContact OG1-OD1 3Å; N190-I205 WeakPolarHBondContact CA-O 3.19Å; N190-I205 HydrophobicContact CB-CG2 4.18Å; N190-I205 VanDerWaalsContact CB-O 3.25Å; N190-I205 WeakPolarHBondContact CB-O 3.36Å; N190-S207 PolarHBondContact ND2-OG 3.13Å
191S94.8Very high96.4Very high52 Ų5226.5 Ų26.536%0.36415%0.151SC..  trans-109110.5-176.3-178.10000111.7D189 G193 A194 Y195D189-S191 WeakPolarHBondContact OD1-CB 3.31Å; D189-S191 PolarHBondContact OD1-N 3.25Å; S191-G193 PolarHBondContact O-N 3.5Å; S191-G193 VanDerWaalsContact O-N 3.1Å; S191-A194 WeakPolarHBondContact O-CB 3.38Å; S191-A194 PolarHBondContact O-N 2.79Å; S191-Y195 WeakPolarHBondContact O-CD1 3.34Å; S191-Y195 WeakPolarHBondContact O-CE1 3.34Å
192P93.6Very high96.4Very high41 Ų4124.7 Ų24.727%0.26614%0.142SC..THydrogen-bonded Turntrans-56.1-27.4174.7-25.834000115A194 Y195 R196 W247P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 3.49Å; P192-Y195 VanDerWaalsContact CA-CZ 3.41Å; P192-Y195 WeakPolarHBondContact CA-OH 3.33Å; P192-Y195 HydrophobicContact CB-CE2 4.26Å; P192-R196 PolarHBondContact O-N 2.81Å; P192-W247 WeakPolarHBondContact CG-O 3.38Å
193G93.9Very high96.4Very high10 Ų1023.1 Ų23.110%0.10313%0.134CC..THydrogen-bonded Turntrans-64.1-31.6174.300000113.1S191S191-G193 PolarHBondContact O-N 3.5Å; S191-G193 VanDerWaalsContact O-N 3.1Å
194A96.3Very high96.3Very high6 Ų623.1 Ų23.15%0.0513%0.133CC..THydrogen-bonded Turntrans-70.4-37.2-175.400000112.6Y171 K173 D189 S191 P192Y171-A194 WeakPolarHBondContact O-CA 3.19Å; K173-A194 WeakPolarHBondContact CB-O 3.38Å; K173-A194 HydrophobicContact CD-CB 4.07Å; K173-A194 HydrophobicContact CG-CB 4.32Å; K173-A194 PolarHBondContact N-O 3.31Å; D189-A194 VanDerWaalsContact OD2-CB 3.23Å; D189-A194 WeakPolarHBondContact OD2-CB 3.38Å; S191-A194 WeakPolarHBondContact O-CB 3.38Å; S191-A194 PolarHBondContact O-N 2.79Å; P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 3.49Å
195Y95.3Very high96.2Very high2 Ų223.1 Ų23.11%0.00813%0.133CC..THydrogen-bonded Turntrans-105.521.7178.750.7-98.5000113.3I187 D189 S191 P192 S197 H198 A202 H244I187-Y195 HydrophobicContact CG2-CG 4.44Å; D189-Y195 HydrophobicContact CB-CD1 3.73Å; D189-Y195 HydrophobicContact CB-CE1 3.88Å; S191-Y195 WeakPolarHBondContact O-CD1 3.34Å; S191-Y195 WeakPolarHBondContact O-CE1 3.34Å; P192-Y195 VanDerWaalsContact CA-CZ 3.41Å; P192-Y195 WeakPolarHBondContact CA-OH 3.33Å; P192-Y195 HydrophobicContact CB-CE2 4.26Å; Y195-S197 PolarHBondContact O-N 3.27Å; Y195-S197 VanDerWaalsContact O-N 3.11Å; Y195-H198 CarbonylContact O-C 3.22Å; Y195-H198 PolarHBondContact O-N 3.5Å; Y195-A202 HydrophobicContact CD1-CB 4Å; Y195-A202 HydrophobicContact CD2-CB 3.33Å; Y195-A202 HydrophobicContact CE1-CB 4.26Å; Y195-A202 HydrophobicContact CE2-CB 3.63Å; Y195-A202 HydrophobicContact CG-CB 3.5Å; Y195-H244 AromaticContact CE2-CE1 3.92Å; Y195-H244 AromaticContact CE2-ND1 3.65Å
196R93.2Very high96Very high113 Ų11328.4 Ų28.443%0.42616%0.156SC..THydrogen-bonded Turntrans-54-34.5-177.3-175.5-175.6-66.8151.51.7113.5D167 P192 H198 P199D167-R196 IonicContact OD2-NH1 2.71Å; D167-R196 PolarHBondContact OD2-NH1 3.07Å; P192-R196 PolarHBondContact O-N 2.81Å; R196-H198 VanDerWaalsContact C-N 3.33Å; R196-P199 WeakPolarHBondContact O-CD 3.44Å
197S93.9Very high95.9Very high70 Ų7030.3 Ų30.349%0.4917%0.169SC..THydrogen-bonded Turntrans-75.9-19.3178-56.60000113.9I172 Y195I172-S197 WeakPolarHBondContact CG2-OG 3.32Å; Y195-S197 PolarHBondContact O-N 3.27Å; Y195-S197 VanDerWaalsContact O-N 3.11Å
198H95.6Very high95.7Very high24 Ų2430.5 Ų30.511%0.11117%0.169CC..  trans-137.455.2-175-56.393.7000111.9D174 L175 Y195 R196 D200 N201D174-H198 IonicContact OD1-CE1 3.67Å; D174-H198 PolarHBondContact OD1-CE1 3.1Å; D174-H198 IonicContact OD1-NE2 3.4Å; L175-H198 HydrophobicContact CD1-CB 3.68Å; L175-H198 HydrophobicContact CG-CB 4.04Å; L175-H198 PolarHBondContact N-CE1 3.18Å; L175-H198 VanDerWaalsContact N-CE1 3.3Å; L175-H198 PolarHBondContact N-ND1 3.13Å; Y195-H198 CarbonylContact O-C 3.22Å; Y195-H198 PolarHBondContact O-N 3.5Å; R196-H198 VanDerWaalsContact C-N 3.33Å; H198-D200 PolarHBondContact O-N 2.95Å; H198-N201 HydrophobicContact CB-CB 4.21Å; H198-N201 PolarHBondContact O-N 3.03Å; H198-N201 VanDerWaalsContact O-N 3.11Å
199P95.3Very high95.4Very high46 Ų4634.3 Ų34.330%0.29919%0.186SC..G310 helixtrans-62.2-34.2-175.727-34.6000111.8R196 N201 A202 L241 H244R196-P199 WeakPolarHBondContact O-CD 3.44Å; P199-N201 PolarHBondContact O-N 3.27Å; P199-N201 VanDerWaalsContact O-N 3.09Å; P199-A202 WeakPolarHBondContact O-CB 3.29Å; P199-A202 PolarHBondContact O-N 3.36Å; P199-L241 HydrophobicContact CB-CD2 4.12Å; P199-H244 PolarHBondContact O-CE1 2.88Å
200D96.5Very high94.7Very high61 Ų6135.8 Ų35.833%0.32620%0.197SC..G310 helixtrans-69.1-10.1-179.7-58.3-43.3000114H198 R234 L237 S238 L241H198-D200 PolarHBondContact O-N 2.95Å; D200-R234 HydrophobicContact CB-CB 4.14Å; D200-R234 HydrophobicContact CB-CG 4.1Å; D200-R234 WeakPolarHBondContact O-CG 3.5Å; D200-L237 VanDerWaalsContact O-CB 3.25Å; D200-L237 WeakPolarHBondContact O-CB 3.3Å; D200-S238 WeakPolarHBondContact OD1-CB 3.46Å; D200-L241 WeakPolarHBondContact OD1-CD1 3.49Å
201N97.8Very high94.3Very high4 Ų438.1 Ų38.12%0.02121%0.209CC..G310 helixtrans-99.8-3.1176.3-70.191.9000112.8L175 L182 I185 V186 I187 H198 P199 R234L175-N201 HydrophobicContact CD1-CB 3.59Å; L182-N201 PolarHBondContact O-ND2 2.87Å; I185-N201 PolarHBondContact O-ND2 2.6Å; V186-N201 CarbonylContact C-O 3.56Å; V186-N201 WeakPolarHBondContact CA-O 3.19Å; I187-N201 PolarHBondContact N-O 3.34Å; H198-N201 HydrophobicContact CB-CB 4.21Å; H198-N201 PolarHBondContact O-N 3.03Å; H198-N201 VanDerWaalsContact O-N 3.11Å; P199-N201 PolarHBondContact O-N 3.27Å; P199-N201 VanDerWaalsContact O-N 3.09Å; N201-R234 WeakPolarHBondContact OD1-CD 3.5Å
202A97.1Very high93.8Very high2 Ų238 Ų382%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-94.8143.3-169.700000113.2I187 Y195 P199I187-A202 HydrophobicContact CG2-CB 3.81Å; I187-A202 CarbonylContact O-C 3.56Å; I187-A202 WeakPolarHBondContact O-CA 3.44Å; Y195-A202 HydrophobicContact CD1-CB 4Å; Y195-A202 HydrophobicContact CD2-CB 3.33Å; Y195-A202 HydrophobicContact CE1-CB 4.26Å; Y195-A202 HydrophobicContact CE2-CB 3.63Å; Y195-A202 HydrophobicContact CG-CB 3.5Å; P199-A202 WeakPolarHBondContact O-CB 3.29Å; P199-A202 PolarHBondContact O-N 3.36Å
203I96.8Very high93.5Very high5 Ų539.8 Ų39.83%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-110103.7160.2-63.4175.1000106V186 I187 L188 D189 L220 M223 L224 L227 L237V186-I203 HydrophobicContact CG1-CD1 3.51Å; V186-I203 HydrophobicContact CG1-CG1 3.78Å; I187-I203 PolarHBondContact O-N 3Å; L188-I203 HydrophobicContact CD1-CB 4.13Å; L188-I203 HydrophobicContact CD1-CG2 3.87Å; L188-I203 WeakPolarHBondContact CD1-O 3.16Å; D189-I203 PolarHBondContact N-O 2.71Å; I203-L220 HydrophobicContact CG2-CD1 4.19Å; I203-L220 HydrophobicContact CG2-CD2 3.6Å; I203-M223 HydrophobicContact CD1-SD 3.63Å; I203-M223 HydrophobicContact CG1-SD 4.08Å; I203-M223 HydrophobicContact CG2-CE 4.44Å; I203-L224 HydrophobicContact CD1-CD2 3.7Å; I203-L227 HydrophobicContact CD1-CD1 4.19Å; I203-L237 HydrophobicContact CD1-CD2 4.26Å; I203-L237 HydrophobicContact CG1-CD1 4.36Å; I203-L237 HydrophobicContact CG1-CD2 3.7Å
204P95.9Very high93.3Very high16 Ų1640.1 Ų40.110%0.10422%0.22CC..EExtended strand (participates in β ladder)trans-62.4138.2171.7-18.630.3000110.3H244P204-H244 WeakPolarHBondContact CG-CD2 3.37Å
205I95.6Very high93.2Very high8 Ų841.9 Ų41.94%0.04123%0.23CC..  trans-130.3143173.8-170.6171.7000110.8T74 R114 L188 D189 N190 S207 A216 L217 L220T74-I205 HydrophobicContact CG2-CG2 4.05Å; R114-I205 VanDerWaalsContact NH1-CD1 3.29Å; L188-I205 HydrophobicContact CD1-CB 3.68Å; L188-I205 HydrophobicContact CD1-CD1 4.11Å; L188-I205 HydrophobicContact CD1-CG1 4.45Å; L188-I205 HydrophobicContact CD1-CG2 3.71Å; L188-I205 HydrophobicContact CD2-CD1 4.48Å; L188-I205 HydrophobicContact CG-CG2 4.17Å; D189-I205 PolarHBondContact O-N 3.35Å; N190-I205 WeakPolarHBondContact CA-O 3.19Å; N190-I205 HydrophobicContact CB-CG2 4.18Å; N190-I205 VanDerWaalsContact CB-O 3.25Å; N190-I205 WeakPolarHBondContact CB-O 3.36Å; I205-S207 PolarHBondContact O-N 3.03Å; I205-A216 HydrophobicContact CD1-CB 4Å; I205-A216 HydrophobicContact CG1-CB 4.08Å; I205-L217 HydrophobicContact CD1-CD2 3.69Å; I205-L217 HydrophobicContact CD1-CG 4.46Å; I205-L220 HydrophobicContact CD1-CD1 3.96Å
206K94.1Very high93.1Very high112 Ų11242.8 Ų42.849%0.48724%0.238SC..  trans-60.2132.8176.2-174.3-177.7178.6-1760110.5R114 W208 W247R114-K206 PolarHBondContact NH1-O 2.97Å; R114-K206 PolarHBondContact NH2-O 3.23Å; K206-W208 PolarHBondContact O-N 3.39Å; K206-W247 HydrophobicContact CB-CE3 3.95Å; K206-W247 HydrophobicContact CB-CH2 4.16Å; K206-W247 HydrophobicContact CB-CZ3 3.65Å; K206-W247 HydrophobicContact CD-CH2 4.5Å; K206-W247 HydrophobicContact CD-CZ3 3.88Å; K206-W247 HydrophobicContact CG-CE3 4Å; K206-W247 HydrophobicContact CG-CH2 4.47Å; K206-W247 HydrophobicContact CG-CZ3 3.62Å
207S95.9Very high93.2Very high39 Ų3937.4 Ų37.427%0.27322%0.218SC..  trans-54.2130.2169.8-62.50000111.1E73 N190 I205E73-S207 WeakPolarHBondContact O-CA 3.29Å; N190-S207 PolarHBondContact ND2-OG 3.13Å; I205-S207 PolarHBondContact O-N 3.03Å
208W95.2Very high93.2Very high4 Ų434.4 Ų34.42%0.01520%0.196CC..  trans-113.8132.2179.3-179.284.2000111.7E73 H77 H112 K113 R114 P115 K206 D211 D214E73-W208 WeakPolarHBondContact CA-O 3.37Å; E73-W208 PolarHBondContact O-N 3.21Å; H77-W208 HydrophobicContact CB-CE3 3.75Å; H77-W208 HydrophobicContact CB-CZ3 3.62Å; H112-W208 HydrophobicContact CB-CH2 3.79Å; H112-W208 HydrophobicContact CB-CZ3 4.08Å; H112-W208 WeakPolarHBondContact O-CZ3 2.82Å; K113-W208 WeakPolarHBondContact O-CH2 3.37Å; R114-W208 HydrophobicContact CB-CD2 3.81Å; R114-W208 HydrophobicContact CB-CE3 3.75Å; R114-W208 HydrophobicContact CB-CG 4.25Å; R114-W208 HydrophobicContact CB-CZ3 4.16Å; R114-W208 HydrophobicContact CG-CB 4.13Å; R114-W208 HydrophobicContact CG-CD2 3.72Å; R114-W208 HydrophobicContact CG-CE3 4.18Å; R114-W208 HydrophobicContact CG-CG 3.67Å; R114-W208 VanDerWaalsContact CZ-CB 3.5Å; P115-W208 VanDerWaalsContact CD-CE2 3.49Å; P115-W208 HydrophobicContact CG-CZ2 4.48Å; K206-W208 PolarHBondContact O-N 3.39Å; W208-D211 PolarHBondContact NE1-O 3.48Å; W208-D214 VanDerWaalsContact CD1-CB 3.49Å
209F91Very high93Very high83 Ų8338.2 Ų38.236%0.36422%0.217SC..SBendtrans-117.5-53.5-177.5-60.7-76000112.2E73 H77 T87E73-F209 HydrophobicContact CG-CD1 4.04Å; E73-F209 HydrophobicContact CG-CE1 3.53Å; E73-F209 HydrophobicContact CG-CZ 4.05Å; H77-F209 WeakPolarHBondContact CB-O 2.96Å; H77-F209 PolarHBondContact CD2-O 3.39Å; H77-F209 AromaticContact CE1-CD1 3.63Å; H77-F209 AromaticContact ND1-CD1 3.73Å; T87-F209 HydrophobicContact CG2-CD1 4.35Å
210S84.9Confident93Very high32 Ų3237 Ų3722%0.22421%0.208CC..SBendtrans-160.510.1-17983.40000114.6T87 P212T87-S210 WeakPolarHBondContact O-CB 3.48Å; T87-S210 PolarHBondContact O-OG 3.05Å; T87-S210 VanDerWaalsContact O-OG 3.07Å; S210-P212 WeakPolarHBondContact O-CD 3.35Å
211D87.8Confident92.9Very high71 Ų7134 Ų3438%0.3819%0.193SC..  trans-70.1112.5-175.1-176.1-4.9000109.7P115 W208 S213 D214P115-D211 WeakPolarHBondContact CG-O 3.26Å; W208-D211 PolarHBondContact NE1-O 3.48Å; D211-S213 PolarHBondContact O-N 2.88Å; D211-S213 WeakPolarHBondContact OD1-CB 3.3Å; D211-S213 PolarHBondContact OD1-N 3.13Å; D211-S213 PolarHBondContact OD1-OG 3.47Å; D211-S213 PolarHBondContact OD2-OG 2.9Å; D211-D214 HydrophobicContact CB-CB 4.37Å; D211-D214 PolarHBondContact O-N 3.42Å
212P84.6Confident92.7Very high49 Ų4937.2 Ų37.232%0.31821%0.213SC..THydrogen-bonded Turntrans-72.7-12.8-179.332.8-36.5000113S210S210-P212 WeakPolarHBondContact O-CD 3.35Å
213S86.5Confident92.5Very high79 Ų7939.8 Ų39.855%0.55223%0.226SC*.THydrogen-bonded Turntrans-97.22.3179.768.50000113.8D211 T215D211-S213 PolarHBondContact O-N 2.88Å; D211-S213 WeakPolarHBondContact OD1-CB 3.3Å; D211-S213 PolarHBondContact OD1-N 3.13Å; D211-S213 PolarHBondContact OD1-OG 3.47Å; D211-S213 PolarHBondContact OD2-OG 2.9Å; S213-T215 PolarHBondContact O-N 3.28Å
214D91.1Very high92.5Very high16 Ų1639.6 Ų39.69%0.08623%0.225CC..  trans-60.3128.8177.2-177.2-78.3000111R114 P115 W208 D211 A216R114-D214 IonicContact CZ-OD1 3.12Å; R114-D214 IonicContact CZ-OD2 3.8Å; R114-D214 IonicContact NE-OD1 3.26Å; R114-D214 PolarHBondContact NE-OD1 2.92Å; R114-D214 IonicContact NE-OD2 2.61Å; R114-D214 IonicContact NH2-OD1 2.63Å; R114-D214 PolarHBondContact NH2-OD1 3.38Å; R114-D214 IonicContact NH2-OD2 3.18Å; R114-D214 PolarHBondContact NH2-OD2 2.96Å; P115-D214 VanDerWaalsContact CB-O 3.31Å; P115-D214 WeakPolarHBondContact CB-O 3.22Å; P115-D214 HydrophobicContact CG-CB 4.2Å; W208-D214 VanDerWaalsContact CD1-CB 3.49Å; D211-D214 HydrophobicContact CB-CB 4.37Å; D211-D214 PolarHBondContact O-N 3.42Å; D214-A216 WeakPolarHBondContact OD1-CB 3.26Å; D214-A216 PolarHBondContact OD1-N 2.78Å
215T92.4Very high92.5Very high44 Ų4440.9 Ų40.927%0.2723%0.231SC..  trans-117.713.3177.754.70000112.5V44 S213 L217 L218 N219V44-T215 HydrophobicContact CG2-CG2 4.42Å; S213-T215 PolarHBondContact O-N 3.28Å; T215-L217 PolarHBondContact O-N 3.22Å; T215-L218 WeakPolarHBondContact O-CB 3.46Å; T215-L218 PolarHBondContact O-N 3.43Å; T215-L218 VanDerWaalsContact O-N 3.08Å; T215-N219 VanDerWaalsContact O-CG 3.23Å; T215-N219 PolarHBondContact O-N 2.79Å; T215-N219 PolarHBondContact O-ND2 3.49Å; T215-N219 PolarHBondContact OG1-ND2 3.22Å
216A94.4Very high92.4Very high21 Ų2143.4 Ų43.417%0.17425%0.252CS..Hα-helixtrans-60.5-43.4-167.600000112.4I205 D214 L218 N219 L220I205-A216 HydrophobicContact CD1-CB 4Å; I205-A216 HydrophobicContact CG1-CB 4.08Å; D214-A216 WeakPolarHBondContact OD1-CB 3.26Å; D214-A216 PolarHBondContact OD1-N 2.78Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 2.67Å; A216-N219 PolarHBondContact O-N 2.89Å; A216-L220 WeakPolarHBondContact O-CG 3.32Å; A216-L220 PolarHBondContact O-N 2.95Å
217L95.6Very high92.5Very high0 Ų038.1 Ų38.10%023%0.23CC..Hα-helixtrans-62.2-38.8177.7-66.2179.6000112.4L75 R114 V117 F120 L188 I205 T215 L220L75-L217 HydrophobicContact CD2-CD1 4.18Å; L75-L217 HydrophobicContact CD2-CD2 3.99Å; R114-L217 HydrophobicContact CB-CD1 4.16Å; R114-L217 HydrophobicContact CG-CD1 4.04Å; R114-L217 HydrophobicContact CG-CG 4.4Å; V117-L217 HydrophobicContact CB-CD1 3.9Å; V117-L217 HydrophobicContact CG2-CD1 4.19Å; F120-L217 HydrophobicContact CB-CB 4.16Å; F120-L217 HydrophobicContact CB-CD1 4.48Å; F120-L217 HydrophobicContact CD1-CD2 4.4Å; F120-L217 HydrophobicContact CD2-CB 3.95Å; F120-L217 VanDerWaalsContact CD2-O 3.24Å; F120-L217 WeakPolarHBondContact CD2-O 3.25Å; F120-L217 HydrophobicContact CE1-CD2 4.39Å; F120-L217 HydrophobicContact CG-CB 4.04Å; F120-L217 HydrophobicContact CG-CD2 4.48Å; F120-L217 HydrophobicContact CZ-CD2 4.45Å; L188-L217 HydrophobicContact CD2-CD2 4.11Å; I205-L217 HydrophobicContact CD1-CD2 3.69Å; I205-L217 HydrophobicContact CD1-CG 4.46Å; T215-L217 PolarHBondContact O-N 3.22Å; L217-L220 PolarHBondContact O-N 3.46Å
218L92.3Very high92.5Very high6 Ų637.8 Ų37.83%0.03122%0.222CC..Hα-helixtrans-68.6-41.6177.8-70.8-179.4000112.3V44 H116 F119 T215 A216 L220 L221V44-L218 HydrophobicContact CB-CD1 3.42Å; V44-L218 VanDerWaalsContact CB-CD1 3.42Å; V44-L218 HydrophobicContact CG1-CD1 3.86Å; V44-L218 HydrophobicContact CG2-CD1 3.44Å; V44-L218 VanDerWaalsContact CG2-CD1 3.44Å; H116-L218 HydrophobicContact CB-CD1 3.94Å; H116-L218 HydrophobicContact CB-CD2 3.71Å; H116-L218 HydrophobicContact CB-CG 3.53Å; H116-L218 WeakPolarHBondContact CD2-CD1 3.31Å; H116-L218 VanDerWaalsContact CG-CG 3.45Å; H116-L218 WeakPolarHBondContact ND1-CD1 3.45Å; H116-L218 WeakPolarHBondContact NE2-CD1 3.21Å; F119-L218 HydrophobicContact CD1-CD2 3.63Å; F119-L218 HydrophobicContact CE1-CD2 3.94Å; T215-L218 WeakPolarHBondContact O-CB 3.46Å; T215-L218 PolarHBondContact O-N 3.43Å; T215-L218 VanDerWaalsContact O-N 3.08Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 2.67Å; L218-L220 PolarHBondContact O-N 2.83Å; L218-L220 VanDerWaalsContact O-N 3.13Å; L218-L221 HydrophobicContact CD2-CD1 3.96Å; L218-L221 WeakPolarHBondContact O-CB 3.44Å; L218-L221 WeakPolarHBondContact O-CG 3.46Å; L218-L221 PolarHBondContact O-N 3.31Å
219N92.3Very high92.5Very high104 Ų10440.6 Ų40.656%0.55624%0.235SC*.Hα-helixtrans-64.3-18.2-179.1-63-22.9000112.4T215 A216T215-N219 VanDerWaalsContact O-CG 3.23Å; T215-N219 PolarHBondContact O-N 2.79Å; T215-N219 PolarHBondContact O-ND2 3.49Å; T215-N219 PolarHBondContact OG1-ND2 3.22Å; A216-N219 PolarHBondContact O-N 2.89Å
220L95.1Very high92.7Very high20 Ų2037.8 Ų37.811%0.10522%0.224CC..THydrogen-bonded Turntrans-80.2-20.9174.8-67.6177.6000113.8L188 I203 I205 A216 L217 L218 M223 L224L188-L220 HydrophobicContact CD1-CD1 3.5Å; L188-L220 VanDerWaalsContact CD1-CD1 3.5Å; L188-L220 HydrophobicContact CD2-CD1 3.99Å; L188-L220 HydrophobicContact CG-CD1 4.42Å; I203-L220 HydrophobicContact CG2-CD1 4.19Å; I203-L220 HydrophobicContact CG2-CD2 3.6Å; I205-L220 HydrophobicContact CD1-CD1 3.96Å; A216-L220 WeakPolarHBondContact O-CG 3.32Å; A216-L220 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 3.46Å; L218-L220 PolarHBondContact O-N 2.83Å; L218-L220 VanDerWaalsContact O-N 3.13Å; L220-M223 HydrophobicContact CD2-CE 4.28Å; L220-M223 PolarHBondContact O-N 3.09Å; L220-L224 HydrophobicContact CB-CD1 4.09Å; L220-L224 HydrophobicContact CB-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 2.84Å
221L94.9Very high93.2Very high0 Ų040.2 Ų40.20%025%0.247CC..Hα-helixtrans-57.5-45-174.3-66.4177.2000113.9Y46 F119 F120 V123 V124 W127 L218 M223 L224 D225Y46-L221 HydrophobicContact CD1-CB 4.44Å; Y46-L221 HydrophobicContact CD1-CD1 3.95Å; Y46-L221 HydrophobicContact CD2-CB 3.85Å; Y46-L221 HydrophobicContact CD2-CD1 3.91Å; Y46-L221 HydrophobicContact CE1-CB 4.13Å; Y46-L221 HydrophobicContact CE1-CD1 4.4Å; Y46-L221 HydrophobicContact CE2-CB 3.48Å; Y46-L221 VanDerWaalsContact CE2-CB 3.48Å; Y46-L221 HydrophobicContact CE2-CD1 4.36Å; Y46-L221 HydrophobicContact CG-CB 4.32Å; Y46-L221 HydrophobicContact CG-CD1 3.69Å; F119-L221 HydrophobicContact CD1-CD1 4.35Å; F119-L221 HydrophobicContact CE1-CD1 3.82Å; F120-L221 HydrophobicContact CD2-CD2 3.7Å; F120-L221 HydrophobicContact CD2-CG 4.36Å; F120-L221 HydrophobicContact CE2-CD2 4.1Å; V123-L221 HydrophobicContact CB-CD2 4.2Å; V123-L221 HydrophobicContact CG1-CD2 3.88Å; V124-L221 HydrophobicContact CG1-CD2 3.86Å; W127-L221 HydrophobicContact CH2-CB 4.46Å; W127-L221 HydrophobicContact CH2-CD2 4.37Å; W127-L221 HydrophobicContact CZ3-CD2 4.07Å; L218-L221 HydrophobicContact CD2-CD1 3.96Å; L218-L221 WeakPolarHBondContact O-CB 3.44Å; L218-L221 WeakPolarHBondContact O-CG 3.46Å; L218-L221 PolarHBondContact O-N 3.31Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-M223 PolarHBondContact O-N 3.34Å; L221-L224 PolarHBondContact O-N 2.9Å; L221-D225 WeakPolarHBondContact O-CB 3.35Å; L221-D225 PolarHBondContact O-N 2.83Å
222P93.1Very high93.6Very high71 Ų7138.8 Ų38.846%0.46124%0.239SC..Hα-helixtrans-60.4-40.6177-18.727.1000113.3Y46 D225 A226Y46-P222 HydrophobicContact CE2-CG 3.89Å; P222-D225 PolarHBondContact O-N 3.19Å; P222-A226 PolarHBondContact O-N 3.49Å
223M94.1Very high94.2Very high56 Ų5636.5 Ų36.528%0.27622%0.224SC..Hα-helixtrans-68.8-46.3180-173.3-140.1-71.500110.6I203 L220 L221 D225 A226 L227 L237I203-M223 HydrophobicContact CD1-SD 3.63Å; I203-M223 HydrophobicContact CG1-SD 4.08Å; I203-M223 HydrophobicContact CG2-CE 4.44Å; L220-M223 HydrophobicContact CD2-CE 4.28Å; L220-M223 PolarHBondContact O-N 3.09Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-M223 PolarHBondContact O-N 3.34Å; M223-D225 VanDerWaalsContact C-N 3.29Å; M223-D225 PolarHBondContact O-N 3.48Å; M223-A226 PolarHBondContact O-N 3.46Å; M223-L227 HydrophobicContact CG-CD1 4.4Å; M223-L227 WeakPolarHBondContact O-CG 3.35Å; M223-L227 PolarHBondContact O-N 2.93Å; M223-L227 HydrophobicContact SD-CD1 4.09Å; M223-L237 HydrophobicContact SD-CD2 4Å
224L96.6Very high94.7Very high1 Ų136.5 Ų36.51%0.00521%0.212CC..Hα-helixtrans-60.2-41.5175.7-70172.3000110.7L67 F120 V124 W127 Y128 I203 L220 L221 A226 L227 R228L67-L224 HydrophobicContact CD1-CD2 4.11Å; L67-L224 HydrophobicContact CD2-CD1 4.29Å; L67-L224 HydrophobicContact CD2-CD2 4.42Å; F120-L224 HydrophobicContact CE2-CD1 3.63Å; F120-L224 HydrophobicContact CZ-CD1 3.87Å; V124-L224 HydrophobicContact CG1-CD1 3.84Å; W127-L224 HydrophobicContact CE3-CB 4.47Å; W127-L224 HydrophobicContact CZ3-CB 4.34Å; Y128-L224 HydrophobicContact CE2-CB 4.06Å; Y128-L224 HydrophobicContact CE2-CD2 4.39Å; Y128-L224 PolarHBondContact OH-O 3.35Å; I203-L224 HydrophobicContact CD1-CD2 3.7Å; L220-L224 HydrophobicContact CB-CD1 4.09Å; L220-L224 HydrophobicContact CB-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 2.84Å; L221-L224 PolarHBondContact O-N 2.9Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.88Å; L224-L227 HydrophobicContact CD2-CD1 4.48Å; L224-L227 PolarHBondContact O-N 2.82Å; L224-R228 WeakPolarHBondContact O-CG 3.33Å; L224-R228 PolarHBondContact O-N 2.89Å
225D94.8Very high94.9Very high43 Ų4338.5 Ų38.523%0.2323%0.227CC..Hα-helixtrans-59.9-45175.5-169.333.3000112W127 L221 P222 M223 L227 R228 F229W127-D225 HydrophobicContact CE3-CB 4.46Å; W127-D225 HydrophobicContact CH2-CB 3.83Å; W127-D225 HydrophobicContact CZ2-CB 4.35Å; W127-D225 HydrophobicContact CZ3-CB 3.91Å; L221-D225 WeakPolarHBondContact O-CB 3.35Å; L221-D225 PolarHBondContact O-N 2.83Å; P222-D225 PolarHBondContact O-N 3.19Å; M223-D225 VanDerWaalsContact C-N 3.29Å; M223-D225 PolarHBondContact O-N 3.48Å; D225-L227 PolarHBondContact O-N 2.85Å; D225-R228 VanDerWaalsContact O-CB 3.27Å; D225-R228 WeakPolarHBondContact O-CB 3.4Å; D225-R228 VanDerWaalsContact O-CD 3.27Å; D225-R228 WeakPolarHBondContact O-CD 3.17Å; D225-R228 WeakPolarHBondContact O-CG 3.47Å; D225-R228 PolarHBondContact O-N 3.18Å; D225-R228 VanDerWaalsContact OD1-CD 3.24Å; D225-R228 WeakPolarHBondContact OD1-CD 3.34Å; D225-R228 IonicContact OD1-CZ 2.87Å; D225-R228 IonicContact OD1-NE 2.88Å; D225-R228 IonicContact OD1-NH1 2.81Å; D225-R228 PolarHBondContact OD1-NH1 3.07Å; D225-F229 WeakPolarHBondContact O-CD2 3.37Å; D225-F229 WeakPolarHBondContact O-CE2 3.48Å
226A94.1Very high95Very high60 Ų6038.8 Ų38.850%0.49623%0.229SC..Hα-helixtrans-63.5-41.1176.800000113P222 M223 L224 R228 F229P222-A226 PolarHBondContact O-N 3.49Å; M223-A226 PolarHBondContact O-N 3.46Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.88Å; A226-R228 PolarHBondContact O-N 3.26Å; A226-R228 VanDerWaalsContact O-N 3.17Å; A226-F229 PolarHBondContact O-N 3.46Å
227L96.6Very high95Very high2 Ų238.1 Ų38.11%0.0122%0.222CC..Hα-helixtrans-60.8-26.6-178.9-75.7175.7000112.6K65 Y128 V186 I203 M223 L224 D225 F229 T230 V233 V236 L237K65-L227 WeakPolarHBondContact CD-O 3.2Å; K65-L227 WeakPolarHBondContact CE-O 3.39Å; Y128-L227 WeakPolarHBondContact OH-CB 3.33Å; V186-L227 HydrophobicContact CG2-CD1 4.29Å; I203-L227 HydrophobicContact CD1-CD1 4.19Å; M223-L227 HydrophobicContact CG-CD1 4.4Å; M223-L227 WeakPolarHBondContact O-CG 3.35Å; M223-L227 PolarHBondContact O-N 2.93Å; M223-L227 HydrophobicContact SD-CD1 4.09Å; L224-L227 HydrophobicContact CD2-CD1 4.48Å; L224-L227 PolarHBondContact O-N 2.82Å; D225-L227 PolarHBondContact O-N 2.85Å; L227-F229 PolarHBondContact O-N 2.9Å; L227-F229 VanDerWaalsContact O-N 3.11Å; L227-T230 HydrophobicContact CD2-CG2 4.31Å; L227-T230 PolarHBondContact O-N 3.3Å; L227-T230 VanDerWaalsContact O-N 3.11Å; L227-T230 PolarHBondContact O-OG1 3.44Å; L227-V233 HydrophobicContact CD2-CB 4.32Å; L227-V236 HydrophobicContact CD2-CB 3.75Å; L227-V236 HydrophobicContact CD2-CG1 3.92Å; L227-V236 HydrophobicContact CD2-CG2 4.18Å; L227-L237 HydrophobicContact CD1-CD1 4.42Å; L227-L237 HydrophobicContact CD1-CD2 3.98Å; L227-L237 HydrophobicContact CD1-CG 4.32Å; L227-L237 HydrophobicContact CD2-CG 4.36Å
228R95.7Very high94.8Very high31 Ų3140.3 Ų40.312%0.11724%0.237CC..THydrogen-bonded Turntrans-50-38.2175.4-63.6164.568.3-166.54.8112.6L59 V62 K65 W127 Y128 L224 D225 A226L59-R228 HydrophobicContact CD1-CB 3.79Å; V62-R228 WeakPolarHBondContact CG2-O 3.23Å; K65-R228 PolarHBondContact NZ-O 2.93Å; W127-R228 HydrophobicContact CB-CG 4.07Å; W127-R228 VanDerWaalsContact CD1-CZ 3.41Å; W127-R228 HydrophobicContact CG-CG 4.48Å; Y128-R228 HydrophobicContact CE2-CG 4.16Å; L224-R228 WeakPolarHBondContact O-CG 3.33Å; L224-R228 PolarHBondContact O-N 2.89Å; D225-R228 VanDerWaalsContact O-CB 3.27Å; D225-R228 WeakPolarHBondContact O-CB 3.4Å; D225-R228 VanDerWaalsContact O-CD 3.27Å; D225-R228 WeakPolarHBondContact O-CD 3.17Å; D225-R228 WeakPolarHBondContact O-CG 3.47Å; D225-R228 PolarHBondContact O-N 3.18Å; D225-R228 VanDerWaalsContact OD1-CD 3.24Å; D225-R228 WeakPolarHBondContact OD1-CD 3.34Å; D225-R228 IonicContact OD1-CZ 2.87Å; D225-R228 IonicContact OD1-NE 2.88Å; D225-R228 IonicContact OD1-NH1 2.81Å; D225-R228 PolarHBondContact OD1-NH1 3.07Å; A226-R228 PolarHBondContact O-N 3.26Å; A226-R228 VanDerWaalsContact O-N 3.17Å
229F95.3Very high94.5Very high64 Ų6449 Ų4928%0.28127%0.27SS..THydrogen-bonded Turntrans-87.4-5.4-173.1-60.3-87.1000114.5L51 S55 R58 L59 D225 A226 L227L51-F229 HydrophobicContact CD1-CZ 4.2Å; L51-F229 HydrophobicContact CD2-CZ 3.79Å; S55-F229 WeakPolarHBondContact O-CE1 3.46Å; R58-F229 HydrophobicContact CB-CD1 4.42Å; L59-F229 HydrophobicContact CB-CD1 4.22Å; L59-F229 HydrophobicContact CB-CE1 3.81Å; L59-F229 HydrophobicContact CD1-CD1 4.34Å; L59-F229 HydrophobicContact CD1-CE1 4.3Å; L59-F229 HydrophobicContact CG-CE1 4.49Å; D225-F229 WeakPolarHBondContact O-CD2 3.37Å; D225-F229 WeakPolarHBondContact O-CE2 3.48Å; A226-F229 PolarHBondContact O-N 3.46Å; L227-F229 PolarHBondContact O-N 2.9Å; L227-F229 VanDerWaalsContact O-N 3.11Å
230T95.1Very high93.5Very high23 Ų2346.8 Ų46.814%0.14126%0.258CS..  trans-76.5147-17961.30000111.1K65 L227 V236K65-T230 VanDerWaalsContact CE-O 3.25Å; K65-T230 WeakPolarHBondContact CE-O 3.36Å; K65-T230 WeakPolarHBondContact CE-OG1 3.26Å; K65-T230 PolarHBondContact NZ-O 3.37Å; L227-T230 HydrophobicContact CD2-CG2 4.31Å; L227-T230 PolarHBondContact O-N 3.3Å; L227-T230 VanDerWaalsContact O-N 3.11Å; L227-T230 PolarHBondContact O-OG1 3.44Å; T230-V236 HydrophobicContact CG2-CG2 3.73Å
231A94.9Very high92.4Very high84 Ų8448.9 Ų48.969%0.69427%0.269SS*.SBendtrans-73.6-38168.800000111
232D96.6Very high91.3Very high41 Ų4154.1 Ų54.122%0.21929%0.293CS..  trans-135.2118.4175.3-172.5-24.4000109.4S183 R234 S235S183-D232 WeakPolarHBondContact CA-OD1 3.49Å; S183-D232 VanDerWaalsContact CB-CG 3.48Å; S183-D232 WeakPolarHBondContact O-CA 3.22Å; D232-R234 PolarHBondContact O-N 3.37Å; D232-R234 WeakPolarHBondContact OD1-CB 3.46Å; D232-R234 WeakPolarHBondContact OD1-CG 3.49Å; D232-R234 IonicContact OD1-CZ 3.84Å; D232-R234 PolarHBondContact OD1-N 2.84Å; D232-R234 IonicContact OD1-NE 2.96Å; D232-R234 PolarHBondContact OD1-NE 3.17Å; D232-R234 IonicContact OD1-NH2 3.84Å; D232-R234 IonicContact OD2-CZ 3.34Å; D232-R234 IonicContact OD2-NE 3.15Å; D232-R234 PolarHBondContact OD2-NE 2.83Å; D232-R234 VanDerWaalsContact OD2-NE 3.15Å; D232-R234 IonicContact OD2-NH2 2.7Å; D232-R234 PolarHBondContact OD2-NH2 2.97Å; D232-S235 WeakPolarHBondContact O-CB 3.28Å; D232-S235 PolarHBondContact O-N 3.4Å; D232-S235 PolarHBondContact O-OG 3.02Å
233V97.1Very high89.9Confident0 Ų054.1 Ų54.10%029%0.287CS..THydrogen-bonded Turntrans-61.7-29.5-179.1-61.60000112.6K65 S183 I185 V186 L227 S235 V236 L237K65-V233 HydrophobicContact CD-CG1 3.51Å; K65-V233 VanDerWaalsContact CE-CG1 3.47Å; K65-V233 HydrophobicContact CG-CG1 4.45Å; S183-V233 WeakPolarHBondContact O-CG2 3.45Å; S183-V233 PolarHBondContact O-N 3.45Å; I185-V233 WeakPolarHBondContact O-CG2 3.33Å; V186-V233 HydrophobicContact CG2-CB 3.96Å; V186-V233 HydrophobicContact CG2-CG1 3.82Å; V186-V233 HydrophobicContact CG2-CG2 3.94Å; L227-V233 HydrophobicContact CD2-CB 4.32Å; V233-S235 PolarHBondContact O-N 3.42Å; V233-V236 PolarHBondContact O-N 2.75Å; V233-V236 VanDerWaalsContact O-N 3.07Å; V233-L237 HydrophobicContact CB-CD1 4.31Å; V233-L237 HydrophobicContact CG2-CD1 4.33Å; V233-L237 PolarHBondContact O-N 2.86Å
234R96.7Very high88.7Confident80 Ų8052.8 Ų52.830%0.30228%0.28SS..Hα-helixtrans-67-26.3-178.5-57.2172-67-177.41.8111.6D200 N201 D232 V236 L237 S238D200-R234 HydrophobicContact CB-CB 4.14Å; D200-R234 HydrophobicContact CB-CG 4.1Å; D200-R234 WeakPolarHBondContact O-CG 3.5Å; N201-R234 WeakPolarHBondContact OD1-CD 3.5Å; D232-R234 PolarHBondContact O-N 3.37Å; D232-R234 WeakPolarHBondContact OD1-CB 3.46Å; D232-R234 WeakPolarHBondContact OD1-CG 3.49Å; D232-R234 IonicContact OD1-CZ 3.84Å; D232-R234 PolarHBondContact OD1-N 2.84Å; D232-R234 IonicContact OD1-NE 2.96Å; D232-R234 PolarHBondContact OD1-NE 3.17Å; D232-R234 IonicContact OD1-NH2 3.84Å; D232-R234 IonicContact OD2-CZ 3.34Å; D232-R234 IonicContact OD2-NE 3.15Å; D232-R234 PolarHBondContact OD2-NE 2.83Å; D232-R234 VanDerWaalsContact OD2-NE 3.15Å; D232-R234 IonicContact OD2-NH2 2.7Å; D232-R234 PolarHBondContact OD2-NH2 2.97Å; R234-V236 PolarHBondContact O-N 3.05Å; R234-V236 VanDerWaalsContact O-N 3.14Å; R234-L237 PolarHBondContact O-N 3.42Å; R234-S238 WeakPolarHBondContact O-CB 3.27Å; R234-S238 PolarHBondContact O-N 3.2Å; R234-S238 PolarHBondContact O-OG 3.13Å
235S95Very high87.1Confident58 Ų5863.8 Ų63.841%0.40632%0.322SS..Hα-helixtrans-60.7-22.2174.471.30000113.3D232 V233 R239D232-S235 WeakPolarHBondContact O-CB 3.28Å; D232-S235 PolarHBondContact O-N 3.4Å; D232-S235 PolarHBondContact O-OG 3.02Å; V233-S235 PolarHBondContact O-N 3.42Å; S235-R239 VanDerWaalsContact O-CZ 3.31Å; S235-R239 PolarHBondContact O-NE 2.91Å
236V94.6Very high85.3Confident50 Ų5067.2 Ų67.230%0.30334%0.34SS..Hα-helixtrans-101.1-51.8174.8179.20000110.3L227 T230 V233 R234 S238 R239L227-V236 HydrophobicContact CD2-CB 3.75Å; L227-V236 HydrophobicContact CD2-CG1 3.92Å; L227-V236 HydrophobicContact CD2-CG2 4.18Å; T230-V236 HydrophobicContact CG2-CG2 3.73Å; V233-V236 PolarHBondContact O-N 2.75Å; V233-V236 VanDerWaalsContact O-N 3.07Å; R234-V236 PolarHBondContact O-N 3.05Å; R234-V236 VanDerWaalsContact O-N 3.14Å; V236-S238 PolarHBondContact O-N 3.39Å; V236-R239 WeakPolarHBondContact O-CB 3.36Å; V236-R239 PolarHBondContact O-N 3.43Å
237L94.6Very high83.2Confident6 Ų671.9 Ų71.93%0.03134%0.344CS..Hα-helixtrans-66.1-37.4-171.1-68.1-179.5000113.7V186 D200 I203 M223 L227 V233 R234 R239 N240V186-L237 HydrophobicContact CG1-CD1 4.02Å; V186-L237 HydrophobicContact CG2-CD1 4.11Å; D200-L237 VanDerWaalsContact O-CB 3.25Å; D200-L237 WeakPolarHBondContact O-CB 3.3Å; I203-L237 HydrophobicContact CD1-CD2 4.26Å; I203-L237 HydrophobicContact CG1-CD1 4.36Å; I203-L237 HydrophobicContact CG1-CD2 3.7Å; M223-L237 HydrophobicContact SD-CD2 4Å; L227-L237 HydrophobicContact CD1-CD1 4.42Å; L227-L237 HydrophobicContact CD1-CD2 3.98Å; L227-L237 HydrophobicContact CD1-CG 4.32Å; L227-L237 HydrophobicContact CD2-CG 4.36Å; V233-L237 HydrophobicContact CB-CD1 4.31Å; V233-L237 HydrophobicContact CG2-CD1 4.33Å; V233-L237 PolarHBondContact O-N 2.86Å; R234-L237 PolarHBondContact O-N 3.42Å; L237-R239 PolarHBondContact O-N 2.98Å; L237-N240 PolarHBondContact O-N 2.93Å
238S90.4Very high82.5Confident46 Ų4675.4 Ų75.432%0.32236%0.361SS..G310 helixtrans-61.1-13.8177.561.90000114.2D200 R234 V236 N240 L241D200-S238 WeakPolarHBondContact OD1-CB 3.46Å; R234-S238 WeakPolarHBondContact O-CB 3.27Å; R234-S238 PolarHBondContact O-N 3.2Å; R234-S238 PolarHBondContact O-OG 3.13Å; V236-S238 PolarHBondContact O-N 3.39Å; S238-N240 VanDerWaalsContact C-N 3.3Å; S238-L241 WeakPolarHBondContact O-CD1 3.38Å; S238-L241 VanDerWaalsContact O-CG 3.27Å; S238-L241 WeakPolarHBondContact O-CG 3.36Å
239R86.2Confident81.9Confident188 Ų18877.7 Ų77.771%0.70937%0.374SS*.G310 helixtrans-76.5-18.2176.2-60.9-179.8176.9153.71.7113S235 V236 L237S235-R239 VanDerWaalsContact O-CZ 3.31Å; S235-R239 PolarHBondContact O-NE 2.91Å; V236-R239 WeakPolarHBondContact O-CB 3.36Å; V236-R239 PolarHBondContact O-N 3.43Å; L237-R239 PolarHBondContact O-N 2.98Å
240N72.8Confident81.1Confident58 Ų5878.4 Ų78.431%0.3138%0.379SS..G310 helixtrans-106.415.7-175.1-70.8-23.8000113.9L237 S238 H242 Q243L237-N240 PolarHBondContact O-N 2.93Å; S238-N240 VanDerWaalsContact C-N 3.3Å; N240-H242 PolarHBondContact O-N 3.32Å; N240-Q243 WeakPolarHBondContact O-CB 3.42Å; N240-Q243 PolarHBondContact O-N 3.24Å
241L70.2Confident80.3Confident65 Ų6581.7 Ų81.734%0.3439%0.393SS..G310 helixtrans-55.8-23.4-177.4-67.4172.8000114.2P199 D200 S238 Q243 H244P199-L241 HydrophobicContact CB-CD2 4.12Å; D200-L241 WeakPolarHBondContact OD1-CD1 3.49Å; S238-L241 WeakPolarHBondContact O-CD1 3.38Å; S238-L241 VanDerWaalsContact O-CG 3.27Å; S238-L241 WeakPolarHBondContact O-CG 3.36Å; L241-Q243 PolarHBondContact O-N 2.87Å; L241-H244 VanDerWaalsContact O-CB 3.27Å; L241-H244 WeakPolarHBondContact O-CB 3.45Å; L241-H244 PolarHBondContact O-CD2 3.27Å; L241-H244 PolarHBondContact O-N 3.41Å; L241-H244 VanDerWaalsContact O-N 3.1Å
242H72.8Confident79.4Confident110 Ų11081.6 Ų81.651%0.50937%0.374SS..G310 helixtrans-60.3-29.8174.465.2-86.4000113N240 H244 R245N240-H242 PolarHBondContact O-N 3.32Å; H242-H244 PolarHBondContact O-N 3.39Å; H242-R245 PolarHBondContact O-N 2.95Å
243Q64.8Low78.2Confident71 Ų7184.3 Ų84.333%0.33239%0.385SS..G310 helixtrans-67.2-20.8177.5-66.1-169.9-29.600112.5N240 L241 R245 L246 W247N240-Q243 WeakPolarHBondContact O-CB 3.42Å; N240-Q243 PolarHBondContact O-N 3.24Å; L241-Q243 PolarHBondContact O-N 2.87Å; Q243-R245 PolarHBondContact O-N 3.15Å; Q243-R245 VanDerWaalsContact O-N 3.17Å; Q243-L246 HydrophobicContact CG-CD1 4.49Å; Q243-L246 WeakPolarHBondContact O-CB 3.28Å; Q243-L246 PolarHBondContact O-N 2.97Å; Q243-L246 VanDerWaalsContact O-N 3.09Å; Q243-W247 PolarHBondContact O-NE1 3Å
244H68Low76.9Confident28 Ų2890.3 Ų90.313%0.1341%0.412CS..G310 helixtrans-68.6-16.7-179.1-62.3-146.2000112.1Y195 P199 P204 L241 H242Y195-H244 AromaticContact CE2-CE1 3.92Å; Y195-H244 AromaticContact CE2-ND1 3.65Å; P199-H244 PolarHBondContact O-CE1 2.88Å; P204-H244 WeakPolarHBondContact CG-CD2 3.37Å; L241-H244 VanDerWaalsContact O-CB 3.27Å; L241-H244 WeakPolarHBondContact O-CB 3.45Å; L241-H244 PolarHBondContact O-CD2 3.27Å; L241-H244 PolarHBondContact O-N 3.41Å; L241-H244 VanDerWaalsContact O-N 3.1Å; H242-H244 PolarHBondContact O-N 3.39Å
245R62.9Low75.3Confident231 Ų23191.1 Ų91.187%0.87242%0.42SS*.G310 helixtrans-89.7-9177.1-60.1-177.9-178.8179.10113.2H242 Q243H242-R245 PolarHBondContact O-N 2.95Å; Q243-R245 PolarHBondContact O-N 3.15Å; Q243-R245 VanDerWaalsContact O-N 3.17Å
246L57.1Low73.7Confident116 Ų11693.8 Ų93.861%0.60742%0.422SS*.  trans-91.9-8.6-173.2-63.5176.4000113.6Q243Q243-L246 HydrophobicContact CG-CD1 4.49Å; Q243-L246 WeakPolarHBondContact O-CB 3.28Å; Q243-L246 PolarHBondContact O-N 2.97Å; Q243-L246 VanDerWaalsContact O-N 3.09Å
247W50.1Low71.8Confident157 Ų15797.8 Ų97.860%0.59543%0.432SS*.  trans-1300-169.1-48.3106.6000111.9P192 K206 Q243P192-W247 WeakPolarHBondContact CG-O 3.38Å; K206-W247 HydrophobicContact CB-CE3 3.95Å; K206-W247 HydrophobicContact CB-CH2 4.16Å; K206-W247 HydrophobicContact CB-CZ3 3.65Å; K206-W247 HydrophobicContact CD-CH2 4.5Å; K206-W247 HydrophobicContact CD-CZ3 3.88Å; K206-W247 HydrophobicContact CG-CE3 4Å; K206-W247 HydrophobicContact CG-CH2 4.47Å; K206-W247 HydrophobicContact CG-CZ3 3.62Å; Q243-W247 PolarHBondContact O-NE1 3Å

Retrieved 247 of 247 residues in 112 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).