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CTD nuclear envelope phosphatase 1 homolog

Serine/threonine protein phosphatase that may dephosphorylate and activate lipin-like phosphatases. 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.

AlphaFold DB , UniProt , Accession X2JCV6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ctdnep1, Length 240 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.6Low73.4Confident212 Ų212126.3 Ų126.3100%1.04463%0.626SS**  0-35.20-120167.970.400113.8
2I58Low74.7Confident130 Ų130123.3 Ų123.367%0.66761%0.613SS**Hα-helixtrans-67.4-35.2-178.4-61.6166.3000113.1L5 Q6I2-L5 PolarHBondContact O-N 3.33Å; I2-Q6 HydrophobicContact CG2-CG 4.41Å; I2-Q6 WeakPolarHBondContact O-CG 3.19Å; I2-Q6 PolarHBondContact O-N 3Å
3S69.2Low75.8Confident75 Ų75120.7 Ų120.752%0.52460%0.602SS.*Hα-helixtrans-66.9-39.3-178.455.20000114Q6 M7S3-Q6 PolarHBondContact O-N 3.46Å; S3-M7 WeakPolarHBondContact O-CG 3.47Å; S3-M7 PolarHBondContact O-N 3.18Å
4L70.8Confident76.6Confident94 Ų94120.1 Ų120.149%0.49260%0.602SS.*Hα-helixtrans-68.5-38178.8-173.866000111.5M7 K8L4-M7 HydrophobicContact CD1-CE 4.06Å; L4-M7 PolarHBondContact O-N 3.32Å; L4-K8 WeakPolarHBondContact O-CB 3.17Å; L4-K8 VanDerWaalsContact O-CG 3.3Å; L4-K8 WeakPolarHBondContact O-CG 3.41Å; L4-K8 PolarHBondContact O-N 3.07Å
5L73.7Confident77.5Confident128 Ų128119.3 Ų119.367%0.6760%0.599SS**Hα-helixtrans-67.2-42176.3-169.866.6000111.1I2 K8 F9I2-L5 PolarHBondContact O-N 3.33Å; L5-K8 PolarHBondContact O-N 3.17Å; L5-F9 WeakPolarHBondContact O-CB 3.24Å; L5-F9 PolarHBondContact O-N 3.44Å
6Q74.1Confident78.4Confident122 Ų122118.1 Ų118.157%0.5759%0.594SS**Hα-helixtrans-63.8-40.3174.3-76.1176.1-30.500112.8I2 S3 F9 R10I2-Q6 HydrophobicContact CG2-CG 4.41Å; I2-Q6 WeakPolarHBondContact O-CG 3.19Å; I2-Q6 PolarHBondContact O-N 3Å; S3-Q6 PolarHBondContact O-N 3.46Å; Q6-F9 PolarHBondContact O-N 3.05Å; Q6-R10 PolarHBondContact O-N 3.38Å
7M76.4Confident79.1Confident116 Ų116115.1 Ų115.157%0.57159%0.587SS**Hα-helixtrans-65.5-42.8175.2-74.5-164.3-58.300112.1S3 L4 F9 R10 A11S3-M7 WeakPolarHBondContact O-CG 3.47Å; S3-M7 PolarHBondContact O-N 3.18Å; L4-M7 HydrophobicContact CD1-CE 4.06Å; L4-M7 PolarHBondContact O-N 3.32Å; M7-F9 VanDerWaalsContact C-N 3.34Å; M7-F9 PolarHBondContact O-N 2.62Å; M7-R10 PolarHBondContact O-N 3.01Å; M7-A11 WeakPolarHBondContact O-CB 3.35Å; M7-A11 PolarHBondContact O-N 3.12Å
8K80.4Confident79.6Confident135 Ų135117.3 Ų117.359%0.58759%0.592SS**Hα-helixtrans-63.1-40175.7-74.5179.2178.2-173.10111.9L4 L5 A11 L12L4-K8 WeakPolarHBondContact O-CB 3.17Å; L4-K8 VanDerWaalsContact O-CG 3.3Å; L4-K8 WeakPolarHBondContact O-CG 3.41Å; L4-K8 PolarHBondContact O-N 3.07Å; L5-K8 PolarHBondContact O-N 3.17Å; K8-A11 PolarHBondContact O-N 3.38Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 PolarHBondContact O-N 3.27Å
9F85.5Confident80.3Confident129 Ų129114.9 Ų114.957%0.56658%0.583SS**Hα-helixtrans-66.2-42.3176.8-167-104.9000112.2L5 Q6 M7 L12 L13L5-F9 WeakPolarHBondContact O-CB 3.24Å; L5-F9 PolarHBondContact O-N 3.44Å; Q6-F9 PolarHBondContact O-N 3.05Å; M7-F9 VanDerWaalsContact C-N 3.34Å; M7-F9 PolarHBondContact O-N 2.62Å; F9-L12 PolarHBondContact O-N 3.25Å; F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.39Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.2Å; F9-L13 HydrophobicContact CZ-CD1 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.31Å; F9-L13 PolarHBondContact O-N 2.99Å
10R81.4Confident80.6Confident190 Ų190117.9 Ų117.972%0.71759%0.587SS**Hα-helixtrans-61.7-42.9172.6-82.1-175.6173.9-178.3-1112.4Q6 M7 L12 L13 L14Q6-R10 PolarHBondContact O-N 3.38Å; M7-R10 PolarHBondContact O-N 3.01Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.06Å; R10-L13 PolarHBondContact O-N 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.45Å; R10-L14 PolarHBondContact O-N 3.15Å
11A81.1Confident80.8Confident58 Ų58116.2 Ų116.248%0.47958%0.583SS.*Hα-helixtrans-62.5-40.517700000111.9M7 K8 L14 L15M7-A11 WeakPolarHBondContact O-CB 3.35Å; M7-A11 PolarHBondContact O-N 3.12Å; K8-A11 PolarHBondContact O-N 3.38Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-L15 PolarHBondContact O-N 2.7Å
12L88.9Confident82.1Confident90 Ų90109.6 Ų109.647%0.47156%0.557SS.*Hα-helixtrans-63.8-44.9175.4-176.465.7000111.9K8 F9 R10 L14 L15 L16K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 PolarHBondContact O-N 3.27Å; F9-L12 PolarHBondContact O-N 3.25Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.06Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.76Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.86Å
13L88.6Confident83.3Confident90 Ų90107.4 Ų107.447%0.47155%0.546SS..Hα-helixtrans-61.3-40.1176.4-75.4169.8000112.3F9 R10 L16 S17F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.39Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.2Å; F9-L13 HydrophobicContact CZ-CD1 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.31Å; F9-L13 PolarHBondContact O-N 2.99Å; R10-L13 PolarHBondContact O-N 3.32Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 2.95Å
14L87.3Confident83.7Confident113 Ų113105.8 Ų105.859%0.59253%0.534SS*.Hα-helixtrans-67.1-39175.7-72.4170000112.1R10 A11 L12 S17 K18R10-L14 WeakPolarHBondContact O-CG 3.45Å; R10-L14 PolarHBondContact O-N 3.15Å; A11-L14 PolarHBondContact O-N 3.23Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.76Å; L14-S17 PolarHBondContact O-N 3.17Å; L14-K18 WeakPolarHBondContact O-CG 3.48Å; L14-K18 PolarHBondContact O-N 3.29Å
15L89.8Confident83.9Confident108 Ų108107.3 Ų107.357%0.56554%0.537SS*.Hα-helixtrans-63.7-47.8174.9-171.277.5000110.7A11 L12 S17 K18 V19A11-L15 PolarHBondContact O-N 2.7Å; L12-L15 PolarHBondContact O-N 3.11Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.09Å; L15-K18 PolarHBondContact O-N 3.11Å; L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.13Å
16L92.7Very high83.8Confident100 Ų100106.9 Ų106.952%0.52453%0.533SS..Hα-helixtrans-61.2-40.3176.6-70.5172.2000111.7L12 L13 V19 W20L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.86Å; L13-L16 PolarHBondContact O-N 2.99Å; L16-V19 PolarHBondContact O-N 3.18Å; L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.11Å
17S90.3Very high83.4Confident66 Ų66107.3 Ų107.346%0.46253%0.533SS..Hα-helixtrans-62.6-43174175.10000111.9L13 L14 L15 W20 T21L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 2.95Å; L14-S17 PolarHBondContact O-N 3.17Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.09Å; S17-W20 PolarHBondContact O-N 3.11Å; S17-T21 WeakPolarHBondContact O-CB 3.21Å; S17-T21 PolarHBondContact O-N 2.68Å; S17-T21 PolarHBondContact O-OG1 3.29Å
18K87.8Confident82.4Confident156 Ų156106.2 Ų106.268%0.67853%0.53SS*.Hα-helixtrans-67.2-40.6176.4-75.5-175.2177.3-173.90112.5L14 L15 T21 C22L14-K18 WeakPolarHBondContact O-CG 3.48Å; L14-K18 PolarHBondContact O-N 3.29Å; L15-K18 PolarHBondContact O-N 3.11Å; K18-T21 PolarHBondContact O-N 3.21Å; K18-C22 VanDerWaalsContact O-CB 3.31Å; K18-C22 WeakPolarHBondContact O-CB 3.22Å; K18-C22 PolarHBondContact O-N 2.61Å
19V92.4Very high81.1Confident71 Ų71108.7 Ų108.743%0.4354%0.535SS..Hα-helixtrans-64.4-45.4174.8171.60000110.2L15 L16 T21 C22 I23L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.18Å; V19-T21 PolarHBondContact O-N 3.16Å; V19-C22 CarbonylContact O-C 3.18Å; V19-C22 WeakPolarHBondContact O-CB 3.39Å; V19-C22 PolarHBondContact O-N 3.11Å; V19-I23 HydrophobicContact CG1-CD1 3.71Å; V19-I23 HydrophobicContact CG1-CG1 4.32Å; V19-I23 WeakPolarHBondContact O-CB 3.27Å; V19-I23 VanDerWaalsContact O-CG1 3.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.18Å; V19-I23 PolarHBondContact O-N 2.84Å
20W87.3Confident79.3Confident175 Ų175109.9 Ų109.966%0.66354%0.543SS*.Hα-helixtrans-60.4-44.2174.5-176.7-101.9000111.8L16 S17 C22 I23 C24L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.11Å; S17-W20 PolarHBondContact O-N 3.11Å; W20-C22 VanDerWaalsContact C-N 3.31Å; W20-C22 PolarHBondContact O-N 3.47Å; W20-I23 PolarHBondContact O-N 3Å; W20-C24 VanDerWaalsContact CE2-SG 3.58Å; W20-C24 PolarHBondContact NE1-SG 3.15Å; W20-C24 VanDerWaalsContact NE1-SG 3.36Å; W20-C24 VanDerWaalsContact O-CB 3.3Å; W20-C24 WeakPolarHBondContact O-CB 3.42Å; W20-C24 PolarHBondContact O-N 3.33Å; W20-C24 PolarHBondContact O-SG 3.21Å
21T84.6Confident77.7Confident82 Ų82105.1 Ų105.150%0.50354%0.535SS..Hα-helixtrans-64.1-38.2176.4-49.60000111.1S17 K18 V19 F25S17-T21 WeakPolarHBondContact O-CB 3.21Å; S17-T21 PolarHBondContact O-N 2.68Å; S17-T21 PolarHBondContact O-OG1 3.29Å; K18-T21 PolarHBondContact O-N 3.21Å; V19-T21 PolarHBondContact O-N 3.16Å; T21-F25 WeakPolarHBondContact O-CB 3.48Å; T21-F25 PolarHBondContact O-N 3.38Å
22C83.4Confident75.9Confident73 Ų73112.4 Ų112.449%0.49355%0.55SS..Hα-helixtrans-67.4-42.9174.8-170.50000111.8K18 V19 W20 F25 M26K18-C22 VanDerWaalsContact O-CB 3.31Å; K18-C22 WeakPolarHBondContact O-CB 3.22Å; K18-C22 PolarHBondContact O-N 2.61Å; V19-C22 CarbonylContact O-C 3.18Å; V19-C22 WeakPolarHBondContact O-CB 3.39Å; V19-C22 PolarHBondContact O-N 3.11Å; W20-C22 VanDerWaalsContact C-N 3.31Å; W20-C22 PolarHBondContact O-N 3.47Å; C22-F25 CarbonylContact O-C 3.47Å; C22-F25 WeakPolarHBondContact O-CB 3.44Å; C22-F25 PolarHBondContact O-N 2.82Å; C22-M26 WeakPolarHBondContact O-CB 3.46Å; C22-M26 WeakPolarHBondContact O-CG 3.33Å; C22-M26 PolarHBondContact O-N 3.49Å
23I83.9Confident73.9Confident85 Ų85111.6 Ų111.644%0.43656%0.556SS.*Hα-helixtrans-63.1-50.1174.7-70168.1000109.7V19 W20 F25 M26 F27V19-I23 HydrophobicContact CG1-CD1 3.71Å; V19-I23 HydrophobicContact CG1-CG1 4.32Å; V19-I23 WeakPolarHBondContact O-CB 3.27Å; V19-I23 VanDerWaalsContact O-CG1 3.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.18Å; V19-I23 PolarHBondContact O-N 2.84Å; W20-I23 PolarHBondContact O-N 3Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 2.76Å; I23-M26 PolarHBondContact O-N 2.99Å; I23-F27 VanDerWaalsContact O-CB 3.26Å; I23-F27 WeakPolarHBondContact O-CB 3.48Å; I23-F27 PolarHBondContact O-N 3.39Å
24C78Confident72Confident41 Ų41114.3 Ų114.328%0.27756%0.561SS.*Hα-helixtrans-59.2-36.6173.8-71.60000111.7W20 N28W20-C24 VanDerWaalsContact CE2-SG 3.58Å; W20-C24 PolarHBondContact NE1-SG 3.15Å; W20-C24 VanDerWaalsContact NE1-SG 3.36Å; W20-C24 VanDerWaalsContact O-CB 3.3Å; W20-C24 WeakPolarHBondContact O-CB 3.42Å; W20-C24 PolarHBondContact O-N 3.33Å; W20-C24 PolarHBondContact O-SG 3.21Å; C24-N28 WeakPolarHBondContact O-CA 3.05Å; C24-N28 WeakPolarHBondContact O-CB 3.1Å; C24-N28 PolarHBondContact O-N 3.33Å; C24-N28 PolarHBondContact O-ND2 2.78Å; C24-N28 VanDerWaalsContact O-ND2 3.15Å
25F74.4Confident70.3Confident126 Ų126116.5 Ų116.555%0.55357%0.568SS**Hα-helixtrans-68.5-43.4175.1177.1-97.1000111.7T21 C22 I23 R29T21-F25 WeakPolarHBondContact O-CB 3.48Å; T21-F25 PolarHBondContact O-N 3.38Å; C22-F25 CarbonylContact O-C 3.47Å; C22-F25 WeakPolarHBondContact O-CB 3.44Å; C22-F25 PolarHBondContact O-N 2.82Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 2.76Å; F25-R29 WeakPolarHBondContact O-CB 3.15Å; F25-R29 PolarHBondContact O-N 3.28Å
26M72.4Confident68.8Low118 Ų118113.7 Ų113.758%0.58156%0.556SS**Hα-helixtrans-65.7-43175.7-66.9-126.2-59.800111.3C22 I23 R29 Q30C22-M26 WeakPolarHBondContact O-CB 3.46Å; C22-M26 WeakPolarHBondContact O-CG 3.33Å; C22-M26 PolarHBondContact O-N 3.49Å; I23-M26 PolarHBondContact O-N 2.99Å; M26-R29 CarbonylContact O-C 3.59Å; M26-R29 WeakPolarHBondContact O-CB 3.42Å; M26-R29 PolarHBondContact O-N 3.47Å; M26-Q30 WeakPolarHBondContact O-CB 3.43Å; M26-Q30 PolarHBondContact O-N 2.81Å
27F63.9Low67.4Low132 Ų132113.9 Ų113.958%0.57956%0.562SS**Hα-helixtrans-67.6-43.9176.6-142.9-92000110.7I23 R29 Q30 V31I23-F27 VanDerWaalsContact O-CB 3.26Å; I23-F27 WeakPolarHBondContact O-CB 3.48Å; I23-F27 PolarHBondContact O-N 3.39Å; F27-R29 VanDerWaalsContact C-N 3.26Å; F27-R29 PolarHBondContact O-N 3.47Å; F27-Q30 CarbonylContact O-C 3.52Å; F27-Q30 WeakPolarHBondContact O-CB 3.45Å; F27-Q30 PolarHBondContact O-N 2.93Å; F27-Q30 VanDerWaalsContact O-N 3.12Å; F27-V31 HydrophobicContact CD1-CG2 3.81Å; F27-V31 HydrophobicContact CE1-CG2 4.04Å; F27-V31 VanDerWaalsContact O-CB 3.3Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 WeakPolarHBondContact O-CG2 3.46Å; F27-V31 PolarHBondContact O-N 2.49Å
28N55.7Low66.3Low93 Ų93117.5 Ų117.550%0.49757%0.569SS.*Hα-helixtrans-65.5-27.8172.2-76.6-26.4000112.3C24 R32C24-N28 WeakPolarHBondContact O-CA 3.05Å; C24-N28 WeakPolarHBondContact O-CB 3.1Å; C24-N28 PolarHBondContact O-N 3.33Å; C24-N28 PolarHBondContact O-ND2 2.78Å; C24-N28 VanDerWaalsContact O-ND2 3.15Å; N28-R32 WeakPolarHBondContact O-CA 3.28Å; N28-R32 WeakPolarHBondContact O-CB 3.19Å; N28-R32 WeakPolarHBondContact O-CG 3.36Å; N28-R32 PolarHBondContact O-N 3.3Å
29R53Low65.9Low186 Ų186112.4 Ų112.470%0.70255%0.546SS*.Hα-helixtrans-75.7-30.6173-174.2178.2143.2-175.4-6.7111.6F25 M26 F27F25-R29 WeakPolarHBondContact O-CB 3.15Å; F25-R29 PolarHBondContact O-N 3.28Å; M26-R29 CarbonylContact O-C 3.59Å; M26-R29 WeakPolarHBondContact O-CB 3.42Å; M26-R29 PolarHBondContact O-N 3.47Å; F27-R29 VanDerWaalsContact C-N 3.26Å; F27-R29 PolarHBondContact O-N 3.47Å
30Q48.9Very low65.2Low154 Ų154115.4 Ų115.472%0.7256%0.555SS**Hα-helixtrans-76.8-34.4171.8-132173.3-17.900112.2M26 F27M26-Q30 WeakPolarHBondContact O-CB 3.43Å; M26-Q30 PolarHBondContact O-N 2.81Å; F27-Q30 CarbonylContact O-C 3.52Å; F27-Q30 WeakPolarHBondContact O-CB 3.45Å; F27-Q30 PolarHBondContact O-N 2.93Å; F27-Q30 VanDerWaalsContact O-N 3.12Å
31V47Very low64.7Low91 Ų91110.9 Ų110.955%0.55254%0.544SS*.Hα-helixtrans-86.1-20.8178.5174.40000112.4F27 A33F27-V31 HydrophobicContact CD1-CG2 3.81Å; F27-V31 HydrophobicContact CE1-CG2 4.04Å; F27-V31 VanDerWaalsContact O-CB 3.3Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 WeakPolarHBondContact O-CG2 3.46Å; F27-V31 PolarHBondContact O-N 2.49Å; V31-A33 PolarHBondContact O-N 2.69Å
32R44.3Very low64.7Low210 Ų210114.3 Ų114.379%0.79255%0.552SS**  trans-71.347.9158.7-78.5176.8176.8-172.3-0.4110.2N28 Y34N28-R32 WeakPolarHBondContact O-CA 3.28Å; N28-R32 WeakPolarHBondContact O-CB 3.19Å; N28-R32 WeakPolarHBondContact O-CG 3.36Å; N28-R32 PolarHBondContact O-N 3.3Å; R32-Y34 VanDerWaalsContact C-N 3.28Å; R32-Y34 PolarHBondContact O-N 2.75Å
33A47.2Very low64.9Low74 Ų74116.5 Ų116.561%0.61257%0.565SS**  trans-55.1106.2141.100000105.5V31 Q35V31-A33 PolarHBondContact O-N 2.69Å; A33-Q35 PolarHBondContact O-N 2.88Å; A33-Q35 VanDerWaalsContact O-N 3.13Å
34Y47.8Very low65.2Low147 Ų147114.6 Ų114.658%0.57656%0.555SS**  trans-40.6118.2-179.6-158-99.7000110.1R32 P36 M206R32-Y34 VanDerWaalsContact C-N 3.28Å; R32-Y34 PolarHBondContact O-N 2.75Å; Y34-P36 WeakPolarHBondContact O-CD 3.08Å; Y34-M206 HydrophobicContact CD2-SD 4.22Å
35Q51.8Low66Low158 Ų158115.2 Ų115.274%0.73856%0.561SS**  trans-63116.6170.6-77.1-74.2-37.300106.6A33 V37A33-Q35 PolarHBondContact O-N 2.88Å; A33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-V37 PolarHBondContact O-N 3.13Å
36P58.3Low67Low49 Ų49114.3 Ų114.332%0.31857%0.567SS.*  trans-65.3134.7-175.528.3-33.1000107.7Y34 K38 L211Y34-P36 WeakPolarHBondContact O-CD 3.08Å; P36-K38 PolarHBondContact O-N 3.23Å; P36-L211 HydrophobicContact CB-CD1 4.45Å
37V63Low68.1Low104 Ų104112.8 Ų112.863%0.6356%0.564SS**  trans-49.2112.2159.9174.20000106.4Q35 L211Q35-V37 PolarHBondContact O-N 3.13Å; V37-L211 WeakPolarHBondContact O-CD1 3.41Å
38K67.2Low69.6Low143 Ų143108.1 Ų108.162%0.62255%0.548SS*.  trans-85.3135.8178.9-68.4-173.4-179.3178.30108.3P36 E40P36-K38 PolarHBondContact O-N 3.23Å; K38-E40 PolarHBondContact O-N 3.46Å
39Y78.6Confident71.4Confident49 Ų49111.1 Ų111.119%0.19255%0.552CS.*  trans-82.597.2167.7-170.9-96.5000107.6L41 Y112 W120 L214 P215 D218Y39-L41 HydrophobicContact CD1-CD2 3.9Å; Y39-L41 HydrophobicContact CE1-CD2 4.02Å; Y39-L41 PolarHBondContact O-N 3.13Å; Y39-L41 VanDerWaalsContact O-N 3.12Å; Y39-Y112 PolarHBondContact N-OH 2.83Å; Y39-Y112 PolarHBondContact O-OH 3.32Å; Y39-W120 AromaticContact CD1-CH2 3.93Å; Y39-W120 HydrophobicContact CD1-CH2 3.93Å; Y39-W120 HydrophobicContact CD1-CZ2 4.27Å; Y39-W120 AromaticContact CE1-CH2 3.51Å; Y39-W120 HydrophobicContact CE1-CH2 3.51Å; Y39-W120 AromaticContact CE1-CZ2 3.79Å; Y39-W120 HydrophobicContact CE1-CZ2 3.79Å; Y39-L214 HydrophobicContact CD1-CB 4.22Å; Y39-L214 HydrophobicContact CD2-CB 3.67Å; Y39-L214 HydrophobicContact CE2-CB 4.11Å; Y39-L214 HydrophobicContact CG-CB 3.73Å; Y39-L214 HydrophobicContact CG-CD1 3.97Å; Y39-L214 HydrophobicContact CG-CG 4.5Å; Y39-P215 HydrophobicContact CD2-CG 4.08Å; Y39-P215 HydrophobicContact CE2-CB 3.9Å; Y39-P215 HydrophobicContact CE2-CG 3.66Å; Y39-D218 HydrophobicContact CE1-CB 4.3Å; Y39-D218 WeakPolarHBondContact OH-CB 3.34Å; Y39-D218 VanDerWaalsContact OH-CG 3.3Å; Y39-D218 PolarHBondContact OH-OD2 3.15Å
40E79.1Confident73.5Confident133 Ų133107.7 Ų107.762%0.62154%0.544SS*.  trans-66113.9-178.3-67.4-170.6169.400110.2K38 F42K38-E40 PolarHBondContact O-N 3.46Å; E40-F42 HydrophobicContact CB-CD2 4.32Å; E40-F42 HydrophobicContact CB-CE2 3.66Å; E40-F42 HydrophobicContact CB-CZ 3.91Å; E40-F42 WeakPolarHBondContact O-CD2 3.3Å; E40-F42 PolarHBondContact O-N 3.28Å; E40-F42 VanDerWaalsContact O-N 3.13Å; E40-F42 VanDerWaalsContact OE2-CZ 3.23Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.43Å
41L76.9Confident75.6Confident81 Ų81107.9 Ų107.942%0.42454%0.538SS..  trans-78.397.3176.2-67.5176.9000109.1Y39 V116 W120Y39-L41 HydrophobicContact CD1-CD2 3.9Å; Y39-L41 HydrophobicContact CE1-CD2 4.02Å; Y39-L41 PolarHBondContact O-N 3.13Å; Y39-L41 VanDerWaalsContact O-N 3.12Å; L41-V116 HydrophobicContact CD2-CG1 4.22Å; L41-W120 HydrophobicContact CD2-CH2 4.41Å; L41-W120 HydrophobicContact CD2-CZ2 3.48Å; L41-W120 VanDerWaalsContact CD2-CZ2 3.48Å
42F83.1Confident77.9Confident154 Ų154105.7 Ų105.768%0.67552%0.523SS*.PPolyproline II helixtrans-79.1137.6170.6-65.3-78.3000110.6E40 L44E40-F42 HydrophobicContact CB-CD2 4.32Å; E40-F42 HydrophobicContact CB-CE2 3.66Å; E40-F42 HydrophobicContact CB-CZ 3.91Å; E40-F42 WeakPolarHBondContact O-CD2 3.3Å; E40-F42 PolarHBondContact O-N 3.28Å; E40-F42 VanDerWaalsContact O-N 3.13Å; E40-F42 VanDerWaalsContact OE2-CZ 3.23Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.43Å; F42-L44 PolarHBondContact O-N 3.42Å
43P87.7Confident80.3Confident118 Ų11899.8 Ų99.877%0.76651%0.514SS*.PPolyproline II helixtrans-61.2136174.425.4-32.6000110.1S45P43-S45 PolarHBondContact O-N 3.26Å
44L90.4Very high82.5Confident45 Ų45102 Ų10224%0.23652%0.515CS..PPolyproline II helixtrans-63134.4177.4-64.4-177.6000110.7F42 R49 L52 F222F42-L44 PolarHBondContact O-N 3.42Å; L44-R49 HydrophobicContact CB-CB 4.4Å; L44-R49 PolarHBondContact O-NH2 3.17Å; L44-L52 HydrophobicContact CD1-CD2 3.74Å; L44-F222 HydrophobicContact CD1-CZ 4.14Å; L44-F222 HydrophobicContact CD2-CZ 3.82Å
45S94.6Very high84.7Confident55 Ų5596.1 Ų96.139%0.38549%0.494SS..PPolyproline II helixtrans-57.7157.3167.875.70000110.6P43 V47 S48 R49P43-S45 PolarHBondContact O-N 3.26Å; S45-V47 PolarHBondContact O-N 3.32Å; S45-S48 PolarHBondContact O-N 3.47Å; S45-S48 VanDerWaalsContact O-N 3.11Å; S45-S48 PolarHBondContact OG-N 3.31Å; S45-S48 VanDerWaalsContact OG-N 3.11Å; S45-S48 PolarHBondContact OG-OG 3.37Å; S45-R49 WeakPolarHBondContact O-CB 3.48Å; S45-R49 PolarHBondContact O-N 3.14Å
46P96.4Very high86.8Confident106 Ų10694.6 Ų94.669%0.68849%0.487SS*.Hα-helixtrans-53.5-39.9176.3-27.535.6000112.9R49 H50P46-R49 PolarHBondContact O-N 3.09Å; P46-H50 WeakPolarHBondContact O-CB 3.31Å; P46-H50 PolarHBondContact O-N 3.42Å
47V95.9Very high88.6Confident86 Ų8697.3 Ų97.352%0.52149%0.491SS..Hα-helixtrans-65.4-46.5177.3179.60000111.3S45 H50 R51S45-V47 PolarHBondContact O-N 3.32Å; V47-H50 PolarHBondContact O-N 2.91Å; V47-R51 WeakPolarHBondContact O-CG 3.25Å; V47-R51 PolarHBondContact O-N 2.81Å
48S94.2Very high90.2Very high34 Ų3492.6 Ų92.624%0.23846%0.462CS..Hα-helixtrans-64.7-40.8177.9-64.10000111.4S45 H50 R51 L52 F222S45-S48 PolarHBondContact O-N 3.47Å; S45-S48 VanDerWaalsContact O-N 3.11Å; S45-S48 PolarHBondContact OG-N 3.31Å; S45-S48 VanDerWaalsContact OG-N 3.11Å; S45-S48 PolarHBondContact OG-OG 3.37Å; S48-H50 VanDerWaalsContact C-N 3.34Å; S48-H50 PolarHBondContact O-N 2.9Å; S48-R51 PolarHBondContact O-N 3.05Å; S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 PolarHBondContact O-N 3.26Å; S48-F222 WeakPolarHBondContact O-CE1 3.45Å
49R94.9Very high91.7Very high157 Ų15786.1 Ų86.159%0.59244%0.435SS*.Hα-helixtrans-60.9-44175.3-170.4-179.2-57154.87.6111.7L44 S45 P46 L52 S53L44-R49 HydrophobicContact CB-CB 4.4Å; L44-R49 PolarHBondContact O-NH2 3.17Å; S45-R49 WeakPolarHBondContact O-CB 3.48Å; S45-R49 PolarHBondContact O-N 3.14Å; P46-R49 PolarHBondContact O-N 3.09Å; R49-L52 PolarHBondContact O-N 3.43Å; R49-S53 PolarHBondContact O-N 3.35Å
50H95.2Very high92.7Very high113 Ų11383.8 Ų83.852%0.52343%0.425SS..Hα-helixtrans-61.8-48.3175-179.459.2000111.5P46 V47 S48 L52 S53 L54P46-H50 WeakPolarHBondContact O-CB 3.31Å; P46-H50 PolarHBondContact O-N 3.42Å; V47-H50 PolarHBondContact O-N 2.91Å; S48-H50 VanDerWaalsContact C-N 3.34Å; S48-H50 PolarHBondContact O-N 2.9Å; H50-L52 VanDerWaalsContact C-N 3.29Å; H50-L52 PolarHBondContact O-N 3.35Å; H50-S53 WeakPolarHBondContact O-CB 3.43Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.2Å; H50-L54 WeakPolarHBondContact O-CG 3.4Å; H50-L54 PolarHBondContact O-N 3.45Å
51R94.4Very high93.6Very high158 Ų15877.5 Ų77.560%0.59640%0.396SS*.Hα-helixtrans-56.9-42175.5-73.6177.1176.8175.1-0.7112.6V47 S48 S53 L54 F222V47-R51 WeakPolarHBondContact O-CG 3.25Å; V47-R51 PolarHBondContact O-N 2.81Å; S48-R51 PolarHBondContact O-N 3.05Å; R51-S53 VanDerWaalsContact C-N 3.29Å; R51-S53 PolarHBondContact O-N 3.38Å; R51-L54 WeakPolarHBondContact O-CB 3.25Å; R51-L54 PolarHBondContact O-N 2.94Å; R51-F222 HydrophobicContact CB-CD1 4.39Å
52L94.6Very high94.7Very high45 Ų4573.6 Ų73.624%0.23638%0.376CS..Hα-helixtrans-65.5-33.8176.9-170.862.9000111.8L44 S48 R49 H50 L54 V55 R221 F222L44-L52 HydrophobicContact CD1-CD2 3.74Å; S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 PolarHBondContact O-N 3.26Å; R49-L52 PolarHBondContact O-N 3.43Å; H50-L52 VanDerWaalsContact C-N 3.29Å; H50-L52 PolarHBondContact O-N 3.35Å; L52-L54 PolarHBondContact O-N 2.87Å; L52-V55 HydrophobicContact CD1-CG2 3.98Å; L52-V55 VanDerWaalsContact O-CG2 3.3Å; L52-V55 WeakPolarHBondContact O-CG2 3.44Å; L52-V55 PolarHBondContact O-N 3.26Å; L52-R221 HydrophobicContact CD1-CB 3.85Å; L52-R221 VanDerWaalsContact CD2-NH2 3.3Å; L52-F222 HydrophobicContact CB-CD1 4.22Å; L52-F222 HydrophobicContact CB-CE1 3.82Å; L52-F222 HydrophobicContact CD1-CD1 4.32Å; L52-F222 HydrophobicContact CD1-CE1 4.3Å
53S94.4Very high95.4Very high86 Ų8666.7 Ų66.760%0.60135%0.346SS*.Hα-helixtrans-68.6-19.6175.974.10000114R49 H50 R51 V55R49-S53 PolarHBondContact O-N 3.35Å; H50-S53 WeakPolarHBondContact O-CB 3.43Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.2Å; R51-S53 VanDerWaalsContact C-N 3.29Å; R51-S53 PolarHBondContact O-N 3.38Å; S53-V55 VanDerWaalsContact C-N 3.33Å
54L95.1Very high95.9Very high121 Ų12161 Ų6163%0.63431%0.309SS*.THydrogen-bonded Turntrans-81.6-13.1176.9-61.5176.8000113.1H50 R51 L52H50-L54 WeakPolarHBondContact O-CG 3.4Å; H50-L54 PolarHBondContact O-N 3.45Å; R51-L54 WeakPolarHBondContact O-CB 3.25Å; R51-L54 PolarHBondContact O-N 2.94Å; L52-L54 PolarHBondContact O-N 2.87Å
55V94Very high96.3Very high23 Ų2359.8 Ų59.814%0.13930%0.302CS..SBendtrans-115.1146.3-179.4-59.80000110.4L52 S53 R221 N224L52-V55 HydrophobicContact CD1-CG2 3.98Å; L52-V55 VanDerWaalsContact O-CG2 3.3Å; L52-V55 WeakPolarHBondContact O-CG2 3.44Å; L52-V55 PolarHBondContact O-N 3.26Å; S53-V55 VanDerWaalsContact C-N 3.33Å; V55-R221 WeakPolarHBondContact CG2-O 3.3Å; V55-N224 WeakPolarHBondContact CG1-OD1 3.19Å
56Q93.9Very high96.4Very high126 Ų12658.9 Ų58.959%0.58929%0.292SS*.PPolyproline II helixtrans-76.6148.7177.5-60.1-162.99.600110.8
57R96.1Very high96.5Very high106 Ų10653.9 Ų53.940%0.426%0.26SS..PPolyproline II helixtrans-59.8140.5172.1-169.7178.3177.790.7-3.2109.5S118 Q119 W120 Y121 D122R57-S118 PolarHBondContact NH2-O 2.87Å; R57-Q119 PolarHBondContact NH1-O 3.35Å; R57-Q119 VanDerWaalsContact NH2-C 3.31Å; R57-Q119 PolarHBondContact NH2-O 3.03Å; R57-W120 PolarHBondContact NH1-O 2.85Å; R57-Y121 VanDerWaalsContact NH2-C 3.26Å; R57-Y121 PolarHBondContact NH2-O 2.79Å; R57-D122 VanDerWaalsContact CD-OD1 3.28Å; R57-D122 WeakPolarHBondContact CD-OD1 3.14Å; R57-D122 IonicContact CZ-OD1 3.79Å; R57-D122 IonicContact NE-OD1 2.65Å; R57-D122 PolarHBondContact NE-OD1 3.22Å
58K98.1Very high96.6Very high6 Ų649.8 Ų49.83%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-100.1155-171.8-70.4172.1177.665.50110.9Y121 D122 R177 F179 L220 R221 T223 V226K58-Y121 HydrophobicContact CB-CD1 3.55Å; K58-Y121 HydrophobicContact CB-CE1 3.56Å; K58-Y121 HydrophobicContact CD-CE1 4.08Å; K58-Y121 HydrophobicContact CG-CE1 4.42Å; K58-Y121 WeakPolarHBondContact O-CA 3.49Å; K58-D122 PolarHBondContact O-N 2.61Å; K58-R177 CarbonylContact C-O 3.6Å; K58-R177 VanDerWaalsContact CA-O 3.23Å; K58-R177 WeakPolarHBondContact CA-O 3.12Å; K58-R177 WeakPolarHBondContact CB-O 3.49Å; K58-R177 HydrophobicContact CG-CB 4Å; K58-F179 HydrophobicContact CB-CE1 4.33Å; K58-L220 WeakPolarHBondContact CD-O 3.47Å; K58-L220 WeakPolarHBondContact CE-O 3.36Å; K58-L220 PolarHBondContact NZ-O 3.35Å; K58-R221 PolarHBondContact NZ-O 2.58Å; K58-T223 WeakPolarHBondContact CE-O 3.35Å; K58-T223 VanDerWaalsContact CE-OG1 3.28Å; K58-T223 WeakPolarHBondContact CE-OG1 3.42Å; K58-T223 PolarHBondContact NZ-O 3.41Å; K58-V226 HydrophobicContact CD-CG1 3.56Å; K58-V226 HydrophobicContact CG-CG1 4.47Å
59T98.8Very high96.8Very high7 Ų748.2 Ų48.24%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-96.2123.4173.7-63.10000109.7V61 D122 V124 I171 R177 I178 F179T59-V61 HydrophobicContact CG2-CG2 4.28Å; T59-D122 WeakPolarHBondContact CA-O 3.5Å; T59-V124 HydrophobicContact CG2-CB 4.41Å; T59-V124 HydrophobicContact CG2-CG2 3.56Å; T59-I171 HydrophobicContact CG2-CG2 4.24Å; T59-R177 PolarHBondContact N-O 3.38Å; T59-I178 HydrophobicContact CG2-CD1 3.93Å; T59-I178 HydrophobicContact CG2-CG1 4.03Å; T59-I178 WeakPolarHBondContact O-CA 3.17Å; T59-F179 PolarHBondContact O-N 3.49Å; T59-F179 VanDerWaalsContact O-N 3.16Å
60L98.9Very high96.8Very high0 Ų040.7 Ų40.70%020%0.195CC..EExtended strand (participates in β ladder)trans-106.5113.9173.7170.257.5000109L62 V117 Y121 D122 L123 V124 F179 I181L60-L62 HydrophobicContact CD1-CD2 4.03Å; L60-L62 HydrophobicContact CD2-CD2 4.01Å; L60-L62 HydrophobicContact CG-CD2 3.84Å; L60-L62 HydrophobicContact CG-CG 4.14Å; L60-V117 HydrophobicContact CD2-CB 4.03Å; L60-V117 HydrophobicContact CD2-CG1 4.4Å; L60-V117 HydrophobicContact CD2-CG2 4.04Å; L60-Y121 HydrophobicContact CB-CD1 4.18Å; L60-Y121 HydrophobicContact CB-CD2 4.4Å; L60-Y121 HydrophobicContact CB-CG 3.82Å; L60-Y121 HydrophobicContact CD2-CD2 4.14Å; L60-Y121 HydrophobicContact CD2-CG 4.38Å; L60-D122 PolarHBondContact N-O 2.9Å; L60-L123 HydrophobicContact CB-CD2 4Å; L60-L123 HydrophobicContact CD2-CD2 4.01Å; L60-L123 HydrophobicContact CG-CD2 4.24Å; L60-L123 WeakPolarHBondContact O-CA 3.45Å; L60-V124 PolarHBondContact O-N 3.01Å; L60-F179 HydrophobicContact CB-CZ 4.32Å; L60-F179 HydrophobicContact CD1-CD2 3.9Å; L60-F179 HydrophobicContact CD1-CE2 3.49Å; L60-F179 VanDerWaalsContact CD1-CE2 3.49Å; L60-F179 HydrophobicContact CD1-CZ 4.01Å; L60-I181 HydrophobicContact CD1-CD1 3.73Å; L60-I181 HydrophobicContact CD1-CG1 3.88Å; L60-I181 HydrophobicContact CD2-CD1 4.36Å
61V98.9Very high96.7Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-89130.4175.2-173.70000109.2T59 V124 F126 L168 I171 I178 F179 I180 I181T59-V61 HydrophobicContact CG2-CG2 4.28Å; V61-V124 CarbonylContact C-O 3.58Å; V61-V124 WeakPolarHBondContact CA-O 3.16Å; V61-V124 HydrophobicContact CG2-CB 4.24Å; V61-F126 HydrophobicContact CG1-CB 3.38Å; V61-F126 HydrophobicContact CG1-CD1 4.24Å; V61-F126 HydrophobicContact CG1-CG 4.35Å; V61-L168 HydrophobicContact CB-CD2 4.45Å; V61-L168 HydrophobicContact CG2-CD2 4.08Å; V61-I171 HydrophobicContact CG1-CD1 4.36Å; V61-I171 HydrophobicContact CG2-CD1 4.04Å; V61-I178 HydrophobicContact CG2-CD1 3.76Å; V61-I178 HydrophobicContact CG2-CG1 3.86Å; V61-F179 PolarHBondContact N-O 3.46Å; V61-I180 HydrophobicContact CB-CB 3.93Å; V61-I180 HydrophobicContact CB-CD1 4.41Å; V61-I180 HydrophobicContact CB-CG1 3.89Å; V61-I180 HydrophobicContact CG1-CB 4.37Å; V61-I180 HydrophobicContact CG1-CD1 3.89Å; V61-I180 HydrophobicContact CG1-CG1 3.86Å; V61-I180 CarbonylContact O-C 3.58Å; V61-I180 VanDerWaalsContact O-CA 3.32Å; V61-I180 WeakPolarHBondContact O-CA 3.44Å; V61-I181 PolarHBondContact O-N 2.93Å
62L98.9Very high96.4Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-120.5123.9-176.9-61.9172.6000109.7L60 L68 F113 L114 L123 V124 V125 F126 I181L60-L62 HydrophobicContact CD1-CD2 4.03Å; L60-L62 HydrophobicContact CD2-CD2 4.01Å; L60-L62 HydrophobicContact CG-CD2 3.84Å; L60-L62 HydrophobicContact CG-CG 4.14Å; L62-L68 HydrophobicContact CB-CD1 4.21Å; L62-L68 HydrophobicContact CD1-CD1 4.35Å; L62-F113 HydrophobicContact CD1-CE1 4.48Å; L62-F113 HydrophobicContact CD2-CE1 4Å; L62-F113 HydrophobicContact CD2-CZ 4.33Å; L62-L114 HydrophobicContact CD1-CD2 3.69Å; L62-L123 HydrophobicContact CD1-CD1 4.39Å; L62-L123 HydrophobicContact CD1-CD2 4.46Å; L62-V124 PolarHBondContact N-O 3.1Å; L62-V125 WeakPolarHBondContact O-CA 3.41Å; L62-F126 PolarHBondContact O-N 2.83Å; L62-I181 HydrophobicContact CD2-CB 4.26Å; L62-I181 HydrophobicContact CD2-CD1 3.96Å
63D98.8Very high95.8Very high8 Ų830.9 Ų30.94%0.04316%0.157CC..  trans-72.9164.2163.3-17756.2000111.6T67 L68 K166 I181 D182D63-T67 HydrophobicContact CB-CG2 4.13Å; D63-T67 WeakPolarHBondContact OD2-CB 3.41Å; D63-T67 PolarHBondContact OD2-OG1 3.26Å; D63-L68 WeakPolarHBondContact O-CG 3.1Å; D63-K166 VanDerWaalsContact CG-NZ 3.31Å; D63-K166 IonicContact OD1-NZ 2.62Å; D63-K166 PolarHBondContact OD1-NZ 2.98Å; D63-I181 PolarHBondContact N-O 2.94Å; D63-I181 VanDerWaalsContact N-O 3.13Å; D63-D182 HydrophobicContact CB-CB 4.15Å
64L98.4Very high94.7Very high0 Ų032.2 Ų32.20%016%0.157CC..  trans-106.6-72.8-177.8-65.4-175000112.6T67 L68 I69 V125 T127 V137 L141L64-T67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD2-CD1 4.16Å; L64-L68 PolarHBondContact O-N 2.9Å; L64-I69 HydrophobicContact CB-CG1 4.48Å; L64-I69 WeakPolarHBondContact O-CG1 3.5Å; L64-I69 PolarHBondContact O-N 3.3Å; L64-I69 VanDerWaalsContact O-N 3.1Å; L64-V125 HydrophobicContact CD1-CG1 3.84Å; L64-V125 HydrophobicContact CD2-CG1 3.82Å; L64-V125 HydrophobicContact CD2-CG2 4.46Å; L64-V125 HydrophobicContact CG-CG1 3.73Å; L64-T127 HydrophobicContact CD1-CG2 3.97Å; L64-T127 HydrophobicContact CG-CG2 4.43Å; L64-V137 HydrophobicContact CD1-CB 4.36Å; L64-V137 HydrophobicContact CD1-CG1 4.19Å; L64-L141 HydrophobicContact CD2-CD1 4.17Å
65D97.3Very high93.1Very high18 Ų1830.4 Ų30.410%0.09616%0.16CC..BIsolated β-bridgetrans-68.8133.8-171.4-59.6-75.2000110.7T67 S129 Y133D65-T67 PolarHBondContact O-N 2.94Å; D65-S129 PolarHBondContact OD2-OG 2.93Å; D65-Y133 WeakPolarHBondContact OD1-CE1 3.44Å; D65-Y133 PolarHBondContact OD1-OH 2.64Å; D65-Y133 WeakPolarHBondContact OD2-CE1 3.33Å
66E97.3Very high91.6Very high37 Ų3735.2 Ų35.217%0.17318%0.182CC..THydrogen-bonded Turntrans59.20-172-68.771.2-133.500115.5I69 H70 N183 S200 W201 F202E66-I69 WeakPolarHBondContact CA-O 3.23Å; E66-I69 PolarHBondContact N-O 2.66Å; E66-H70 IonicContact OE1-CE1 3.17Å; E66-H70 PolarHBondContact OE1-CE1 3.45Å; E66-H70 IonicContact OE1-CG 2.58Å; E66-H70 IonicContact OE1-ND1 2.73Å; E66-H70 PolarHBondContact OE1-ND1 2.86Å; E66-N183 VanDerWaalsContact CB-ND2 3.33Å; E66-N183 WeakPolarHBondContact CB-ND2 3.3Å; E66-S200 WeakPolarHBondContact O-CA 3.39Å; E66-W201 WeakPolarHBondContact CA-O 3.39Å; E66-W201 PolarHBondContact O-N 3.37Å; E66-F202 HydrophobicContact CG-CD1 4.06Å; E66-F202 HydrophobicContact CG-CE1 3.51Å; E66-F202 HydrophobicContact CG-CZ 3.98Å
67T98.4Very high89.9Confident0 Ų034.2 Ų34.20%019%0.187CC..THydrogen-bonded Turntrans-106.1-62177-65.20000111.9D63 L64 D65 R107 I181 N183 I198D63-T67 HydrophobicContact CB-CG2 4.13Å; D63-T67 WeakPolarHBondContact OD2-CB 3.41Å; D63-T67 PolarHBondContact OD2-OG1 3.26Å; L64-T67 PolarHBondContact O-N 3.46Å; D65-T67 PolarHBondContact O-N 2.94Å; T67-R107 WeakPolarHBondContact O-CD 3.39Å; T67-R107 PolarHBondContact O-NH1 2.84Å; T67-I181 HydrophobicContact CG2-CG2 4.17Å; T67-N183 PolarHBondContact OG1-N 3.43Å; T67-N183 PolarHBondContact OG1-OD1 3.42Å; T67-I198 HydrophobicContact CG2-CG2 4.05Å
68L98.6Very high88.1Confident1 Ų136 Ų361%0.00519%0.194CC..THydrogen-bonded Turntrans-103.3-25.5178.4-62.5-174.1000112.9L62 D63 L64 R107 V110 F113 L114 L141 L210L62-L68 HydrophobicContact CB-CD1 4.21Å; L62-L68 HydrophobicContact CD1-CD1 4.35Å; D63-L68 WeakPolarHBondContact O-CG 3.1Å; L64-L68 HydrophobicContact CD2-CD1 4.16Å; L64-L68 PolarHBondContact O-N 2.9Å; L68-R107 WeakPolarHBondContact O-CB 3.32Å; L68-R107 PolarHBondContact O-N 3.13Å; L68-V110 HydrophobicContact CB-CG2 3.92Å; L68-V110 HydrophobicContact CD2-CG2 4.11Å; L68-V110 HydrophobicContact CG-CG2 4.4Å; L68-F113 HydrophobicContact CD2-CD1 4.46Å; L68-F113 HydrophobicContact CD2-CE1 4.38Å; L68-L114 HydrophobicContact CD1-CD2 4.49Å; L68-L141 HydrophobicContact CB-CD1 4.36Å; L68-L141 HydrophobicContact CD1-CD1 4.26Å; L68-L210 HydrophobicContact CD2-CD1 4.2Å; L68-L210 HydrophobicContact CD2-CD2 3.98Å
69I97.9Very high86.5Confident0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-141.9168.6-177.358133.7000110.4L64 E66 V104 H105 Y133 V137 L141L64-I69 HydrophobicContact CB-CG1 4.48Å; L64-I69 WeakPolarHBondContact O-CG1 3.5Å; L64-I69 PolarHBondContact O-N 3.3Å; L64-I69 VanDerWaalsContact O-N 3.1Å; E66-I69 WeakPolarHBondContact CA-O 3.23Å; E66-I69 PolarHBondContact N-O 2.66Å; I69-V104 HydrophobicContact CB-CG1 3.82Å; I69-V104 HydrophobicContact CD1-CG1 3.66Å; I69-V104 HydrophobicContact CG1-CG1 4.34Å; I69-V104 HydrophobicContact CG2-CG1 3.9Å; I69-H105 CarbonylContact C-O 3.59Å; I69-H105 VanDerWaalsContact CA-O 3.23Å; I69-H105 WeakPolarHBondContact CA-O 3.32Å; I69-H105 WeakPolarHBondContact CB-O 3.36Å; I69-Y133 WeakPolarHBondContact CD1-OH 3.39Å; I69-V137 HydrophobicContact CD1-CG1 3.7Å; I69-V137 HydrophobicContact CD1-CG2 4.27Å; I69-V137 HydrophobicContact CG1-CG1 4.13Å; I69-V137 HydrophobicContact CG2-CG1 4.44Å; I69-L141 HydrophobicContact CG2-CD1 4.06Å; I69-L141 HydrophobicContact CG2-CD2 4.03Å; I69-L141 HydrophobicContact CG2-CG 4.44Å
70H95.6Very high85Confident0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-132135.2163.1177.958000108.3E66 T80 H105 W201 F202E66-H70 IonicContact OE1-CE1 3.17Å; E66-H70 PolarHBondContact OE1-CE1 3.45Å; E66-H70 IonicContact OE1-CG 2.58Å; E66-H70 IonicContact OE1-ND1 2.73Å; E66-H70 PolarHBondContact OE1-ND1 2.86Å; H70-T80 PolarHBondContact NE2-OG1 2.64Å; H70-H105 PolarHBondContact N-O 2.83Å; H70-H105 PolarHBondContact O-N 2.91Å; H70-W201 HydrophobicContact CB-CE3 3.72Å; H70-W201 HydrophobicContact CB-CZ3 3.59Å; H70-F202 VanDerWaalsContact CB-O 3.28Å; H70-F202 WeakPolarHBondContact CB-O 3.45Å; H70-F202 PolarHBondContact CD2-O 2.64Å; H70-F202 AromaticContact CE1-CD1 3.62Å; H70-F202 VanDerWaalsContact CG-O 3.3Å; H70-F202 AromaticContact ND1-CD1 3.72Å
71S92.6Very high83.7Confident17 Ų1746.4 Ų46.412%0.11925%0.252CS..EExtended strand (participates in β ladder)trans-128.3150.3179.379.10000112F103 Y133S71-F103 WeakPolarHBondContact CA-O 3.43Å; S71-Y133 WeakPolarHBondContact CB-OH 3.32Å; S71-Y133 PolarHBondContact OG-OH 3.33Å
72H88.3Confident82.4Confident42 Ų4254 Ų5419%0.19428%0.284CS..EExtended strand (participates in β ladder)trans-136.7159.1167.559.4-94.2000109.4F102 F103 H105H72-F102 WeakPolarHBondContact O-CA 3.46Å; H72-F103 AromaticContact CD2-CD2 3.91Å; H72-F103 PolarHBondContact N-O 3.4Å; H72-F103 AromaticContact NE2-CD2 3.9Å; H72-F103 PolarHBondContact O-N 3.42Å; H72-H105 AromaticContact CE1-CE1 3.48Å; H72-H105 PolarHBondContact CE1-CE1 3.37Å; H72-H105 VanDerWaalsContact CE1-CE1 3.48Å
73H82.3Confident81Confident51 Ų5160.2 Ų60.224%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-127.3152.4-177.761.4-82.6000110.8A75 M76 V100 R101 F102H73-A75 PolarHBondContact O-N 3.37Å; H73-M76 CarbonylContact O-C 3.35Å; H73-M76 PolarHBondContact O-N 2.85Å; H73-V100 HydrophobicContact CB-CG1 3.92Å; H73-R101 WeakPolarHBondContact CA-O 3.36Å; H73-R101 WeakPolarHBondContact CB-O 3.1Å; H73-F102 HydrophobicContact CB-CD1 3.9Å; H73-F102 HydrophobicContact CB-CE1 3.9Å; H73-F102 HydrophobicContact CB-CG 4.41Å; H73-F102 HydrophobicContact CB-CZ 4.4Å
74N69.7Low79.6Confident114 Ų11463.8 Ų63.861%0.6136%0.364SS*.THydrogen-bonded Turntrans-55.1-28.7-174.1-79.8-23.4000114.7M76 F103N74-M76 VanDerWaalsContact C-N 3.32Å; N74-F103 WeakPolarHBondContact OD1-CE2 3.33Å
75A63.3Low78.6Confident83 Ų8366.9 Ų66.969%0.68638%0.383SS*.THydrogen-bonded Turntrans-77.2-16.3-177.800000113.6H73H73-A75 PolarHBondContact O-N 3.37Å
76M61Low78Confident123 Ų12371.1 Ų71.161%0.60641%0.412SS*.BIsolated β-bridgetrans-142.288.8173.9-74-158.5166.600110.5H73 N74 R78H73-M76 CarbonylContact O-C 3.35Å; H73-M76 PolarHBondContact O-N 2.85Å; N74-M76 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.2Å
77P58.6Low77.7Confident106 Ų10673 Ų7369%0.68842%0.42SS*.  trans-65104.4170.925.1-30.2000109.1
78R59.7Low77.5Confident144 Ų14477.5 Ų77.554%0.54344%0.444SS..  trans-81.4124.8165.4-67.1-172.6-169.3-174.54.8107.6M76 T80M76-R78 PolarHBondContact O-N 3.2Å; R78-T80 HydrophobicContact CB-CG2 4.17Å; R78-T80 PolarHBondContact O-N 3.08Å
79N62.5Low77.3Confident161 Ų16178.8 Ų78.886%0.86145%0.45SS*.THydrogen-bonded Turntrans-73.236.3173.1-73.3-13.6000112.3
80T68.9Low77.2Confident50 Ų5080.6 Ų80.631%0.30746%0.461SS..THydrogen-bonded Turntrans-86.5-20.7178.746.40000112.2H70 R78 F202 S203H70-T80 PolarHBondContact NE2-OG1 2.64Å; R78-T80 HydrophobicContact CB-CG2 4.17Å; R78-T80 PolarHBondContact O-N 3.08Å; T80-F202 HydrophobicContact CG2-CD1 4.32Å; T80-S203 WeakPolarHBondContact O-CB 3.29Å; T80-S203 PolarHBondContact O-OG 3.23Å; T80-S203 VanDerWaalsContact O-OG 3.14Å
81V69.9Low77.1Confident19 Ų1980.9 Ų80.912%0.11546%0.463CS..SBendtrans-108.7136.6177-175.50000109.4T85V81-T85 HydrophobicContact CG1-CG2 4.12Å
82K72.3Confident77.2Confident159 Ų15987 Ų8769%0.69149%0.487SS*.  trans-60.2129.6176.4-70.5-179-179.2175.70110.1G84 T85K82-G84 PolarHBondContact O-N 2.87Å; K82-T85 WeakPolarHBondContact O-CB 3.21Å; K82-T85 PolarHBondContact O-N 3.09Å; K82-T85 VanDerWaalsContact O-N 3.1Å; K82-T85 PolarHBondContact O-OG1 3.47Å
83P68.9Low77.4Confident131 Ų13185.7 Ų85.785%0.85148%0.482SS*.THydrogen-bonded Turntrans-51.4133.1177.8-27.834.3000112.1
84G70.8Confident77.7Confident84 Ų8487.7 Ų87.787%0.86650%0.498SS*.THydrogen-bonded Turntrans84.51.3-179.300000115.4K82 P86K82-G84 PolarHBondContact O-N 2.87Å; G84-P86 WeakPolarHBondContact O-CD 3.4Å
85T77.1Confident78.5Confident64 Ų6484 Ų8439%0.39348%0.478SS..PPolyproline II helixtrans-67.8122.7169.8-55.20000109.1V81 K82V81-T85 HydrophobicContact CG1-CG2 4.12Å; K82-T85 WeakPolarHBondContact O-CB 3.21Å; K82-T85 PolarHBondContact O-N 3.09Å; K82-T85 VanDerWaalsContact O-N 3.1Å; K82-T85 PolarHBondContact O-OG1 3.47Å
86P84.1Confident79.6Confident108 Ų10886.8 Ų86.870%0.70148%0.481SS*.PPolyproline II helixtrans-70.1140.2177.628.9-33.1000110.2G84G84-P86 WeakPolarHBondContact O-CD 3.4Å
87H90.6Very high80.8Confident76 Ų7692.1 Ų92.135%0.35250%0.495SS..PPolyproline II helixtrans-82.7150.1171.659.6-86.3000110F89 T90 F103H87-F89 PolarHBondContact CD2-O 2.75Å; H87-T90 PolarHBondContact NE2-OG1 3.38Å; H87-F103 HydrophobicContact CB-CB 4.01Å; H87-F103 AromaticContact CE1-CD1 3.61Å; H87-F103 AromaticContact CG-CD1 3.94Å; H87-F103 AromaticContact ND1-CD1 3.54Å
88D94.1Very high82.1Confident95 Ų9592.1 Ų92.151%0.50849%0.489SS..SBendtrans-74-39.7-180-65.1-87.1000112V104 H105 K106D88-V104 PolarHBondContact N-O 3.45Å; D88-H105 WeakPolarHBondContact OD2-CA 3.19Å; D88-K106 HydrophobicContact CB-CB 4.42Å; D88-K106 HydrophobicContact CB-CD 3.71Å; D88-K106 HydrophobicContact CB-CG 3.76Å; D88-K106 PolarHBondContact OD2-N 3.16Å
89F95.4Very high83.6Confident27 Ų2790.7 Ų90.712%0.11850%0.498CS..EExtended strand (participates in β ladder)trans-155.1160.9174.957-91.2000112.4H87 V91 V104 K106 V137 K140 L141H87-F89 PolarHBondContact CD2-O 2.75Å; F89-V91 HydrophobicContact CD2-CG2 4.05Å; F89-V91 HydrophobicContact CE2-CG2 4Å; F89-V104 HydrophobicContact CD2-CB 3.82Å; F89-V104 HydrophobicContact CD2-CG1 4.35Å; F89-V104 HydrophobicContact CD2-CG2 4.08Å; F89-V104 HydrophobicContact CE1-CB 4.36Å; F89-V104 HydrophobicContact CE1-CG1 4.02Å; F89-V104 HydrophobicContact CE2-CB 3.51Å; F89-V104 HydrophobicContact CE2-CG1 3.59Å; F89-V104 HydrophobicContact CE2-CG2 3.73Å; F89-V104 HydrophobicContact CG-CB 4.37Å; F89-V104 HydrophobicContact CZ-CB 3.82Å; F89-V104 HydrophobicContact CZ-CG1 3.4Å; F89-V104 VanDerWaalsContact CZ-CG1 3.4Å; F89-V104 HydrophobicContact CZ-CG2 4.42Å; F89-V104 PolarHBondContact N-O 3.13Å; F89-V104 PolarHBondContact O-N 3.42Å; F89-K106 HydrophobicContact CD1-CD 4.32Å; F89-K106 HydrophobicContact CD1-CG 4.41Å; F89-K106 HydrophobicContact CE1-CD 4.01Å; F89-K106 HydrophobicContact CE1-CG 3.82Å; F89-V137 HydrophobicContact CZ-CG1 4.45Å; F89-K140 HydrophobicContact CD1-CB 4.32Å; F89-K140 HydrophobicContact CD2-CB 3.82Å; F89-K140 HydrophobicContact CD2-CD 4.44Å; F89-K140 HydrophobicContact CD2-CG 3.73Å; F89-K140 HydrophobicContact CE1-CB 4.1Å; F89-K140 HydrophobicContact CE2-CB 3.57Å; F89-K140 HydrophobicContact CE2-CG 3.86Å; F89-K140 HydrophobicContact CG-CB 4.18Å; F89-K140 HydrophobicContact CG-CG 4.26Å; F89-K140 HydrophobicContact CZ-CB 3.72Å; F89-K140 HydrophobicContact CZ-CG 4.5Å; F89-L141 HydrophobicContact CE1-CD2 4.47Å
90T94.7Very high84.9Confident38 Ų3884.6 Ų84.623%0.23347%0.467CS..EExtended strand (participates in β ladder)trans-108.8136.3176-70.20000109.9H87 K92 R101 F102H87-T90 PolarHBondContact NE2-OG1 3.38Å; T90-K92 HydrophobicContact CG2-CG 4.14Å; T90-R101 HydrophobicContact CG2-CG 3.32Å; T90-F102 WeakPolarHBondContact CA-O 3.38Å
91V95Very high86Confident6 Ų687 Ų874%0.03647%0.47CS..EExtended strand (participates in β ladder)trans-110.3129.1168.9169.50000108.8F89 V93 F102 V104 Y133 A136 V137F89-V91 HydrophobicContact CD2-CG2 4.05Å; F89-V91 HydrophobicContact CE2-CG2 4Å; V91-V93 HydrophobicContact CG1-CG1 3.77Å; V91-F102 HydrophobicContact CB-CB 4.28Å; V91-F102 PolarHBondContact N-O 3.41Å; V91-F102 PolarHBondContact O-N 2.89Å; V91-V104 HydrophobicContact CG2-CG2 4.24Å; V91-Y133 HydrophobicContact CG1-CD2 4.26Å; V91-A136 HydrophobicContact CG1-CB 3.59Å; V91-A136 HydrophobicContact CG2-CB 4.19Å; V91-V137 HydrophobicContact CG2-CG2 4.07Å
92K93.7Very high87.1Confident146 Ų14687.2 Ų87.264%0.63547%0.47SS*.EExtended strand (participates in β ladder)trans-113.9121.6175.4-62.6-178.8-168.3176.30108.4T90 V100 R101T90-K92 HydrophobicContact CG2-CG 4.14Å; K92-V100 WeakPolarHBondContact CA-O 3.33Å; K92-R101 HydrophobicContact CG-CG 4.39Å
93V92Very high88.1Confident14 Ų1481.3 Ų81.39%0.08544%0.444CS..EExtended strand (participates in β ladder)trans-135.1153.9179.6-64.50000109.6V91 I95 V100 F102 I132V91-V93 HydrophobicContact CG1-CG1 3.77Å; V93-I95 HydrophobicContact CG2-CD1 4.19Å; V93-I95 HydrophobicContact CG2-CG1 4.12Å; V93-V100 PolarHBondContact N-O 2.74Å; V93-V100 PolarHBondContact O-N 3.3Å; V93-F102 HydrophobicContact CG2-CD2 3.9Å; V93-F102 HydrophobicContact CG2-CE2 3.45Å; V93-F102 VanDerWaalsContact CG2-CE2 3.45Å; V93-I132 HydrophobicContact CB-CD1 4.46Å; V93-I132 WeakPolarHBondContact CG1-O 3.34Å
94T89.6Confident89.4Confident93 Ų9375 Ų7557%0.57140%0.403SS*.EExtended strand (participates in β ladder)trans-102116.2175.7-56.30000108.6N98T94-N98 WeakPolarHBondContact CA-O 3.44Å
95I85.9Confident90.5Very high37 Ų3771.5 Ų71.519%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-112.1120.4177-56.8171.7000106.7V93 R97 N98 V100 F102 M130 I132V93-I95 HydrophobicContact CG2-CD1 4.19Å; V93-I95 HydrophobicContact CG2-CG1 4.12Å; I95-R97 VanDerWaalsContact C-N 3.26Å; I95-R97 PolarHBondContact O-N 3.31Å; I95-N98 PolarHBondContact N-O 2.87Å; I95-N98 WeakPolarHBondContact O-CA 3.4Å; I95-N98 WeakPolarHBondContact O-CB 3.25Å; I95-N98 PolarHBondContact O-N 3.43Å; I95-V100 HydrophobicContact CB-CG2 4.27Å; I95-V100 HydrophobicContact CD1-CB 4.15Å; I95-V100 HydrophobicContact CD1-CG2 3.98Å; I95-V100 HydrophobicContact CG1-CG2 4.28Å; I95-F102 HydrophobicContact CD1-CE2 4.19Å; I95-F102 HydrophobicContact CD1-CZ 4.12Å; I95-M130 HydrophobicContact CD1-CE 3.57Å; I95-M130 HydrophobicContact CG1-CE 3.83Å; I95-M130 HydrophobicContact CG2-CE 4.01Å; I95-I132 HydrophobicContact CG1-CD1 3.83Å
96D86Confident91.5Very high141 Ų14170.5 Ų70.575%0.75435%0.354SS*.THydrogen-bonded Turntrans48.846.4179.5-56.7-35.9000113.5N98D96-N98 PolarHBondContact O-N 2.8Å; D96-N98 PolarHBondContact O-ND2 2.64Å
97R87Confident92.1Very high236 Ų23665.4 Ų65.489%0.89132%0.321SS*.THydrogen-bonded Turntrans68.40.3-177.2-50177-179.5-174.7-0.8115.6I95I95-R97 VanDerWaalsContact C-N 3.26Å; I95-R97 PolarHBondContact O-N 3.31Å
98N86.8Confident92.3Very high105 Ų10562.9 Ų62.956%0.56131%0.312SS*.EExtended strand (participates in β ladder)trans-98.9123.9176.3-64.1-57.7000110.6T94 I95 D96 V100T94-N98 WeakPolarHBondContact CA-O 3.44Å; I95-N98 PolarHBondContact N-O 2.87Å; I95-N98 WeakPolarHBondContact O-CA 3.4Å; I95-N98 WeakPolarHBondContact O-CB 3.25Å; I95-N98 PolarHBondContact O-N 3.43Å; D96-N98 PolarHBondContact O-N 2.8Å; D96-N98 PolarHBondContact O-ND2 2.64Å; N98-V100 PolarHBondContact O-N 2.79Å
99P89.3Confident92.3Very high115 Ų11560.5 Ų60.575%0.74730%0.297SS*.EExtended strand (participates in β ladder)trans-71.4118.8174.828.4-32.2000109.8
100V91.1Very high92.4Very high32 Ų3259.3 Ų59.319%0.19429%0.292CS..EExtended strand (participates in β ladder)trans-109.9134.4177-174.70000109.4H73 K92 V93 I95 N98 F102H73-V100 HydrophobicContact CB-CG1 3.92Å; K92-V100 WeakPolarHBondContact CA-O 3.33Å; V93-V100 PolarHBondContact N-O 2.74Å; V93-V100 PolarHBondContact O-N 3.3Å; I95-V100 HydrophobicContact CB-CG2 4.27Å; I95-V100 HydrophobicContact CD1-CB 4.15Å; I95-V100 HydrophobicContact CD1-CG2 3.98Å; I95-V100 HydrophobicContact CG1-CG2 4.28Å; N98-V100 PolarHBondContact O-N 2.79Å; V100-F102 HydrophobicContact CB-CE2 3.99Å; V100-F102 HydrophobicContact CG1-CD2 4.11Å; V100-F102 HydrophobicContact CG1-CE2 3.51Å; V100-F102 HydrophobicContact CG1-CZ 3.81Å
101R92.3Very high92.5Very high102 Ų10260.6 Ų60.639%0.38530%0.298SS..EExtended strand (participates in β ladder)trans-108124.3176.3-171-176.9-66.1-137.310.9109.7H73 T90 K92 F103H73-R101 WeakPolarHBondContact CA-O 3.36Å; H73-R101 WeakPolarHBondContact CB-O 3.1Å; T90-R101 HydrophobicContact CG2-CG 3.32Å; K92-R101 HydrophobicContact CG-CG 4.39Å; R101-F103 HydrophobicContact CG-CE1 4.41Å; R101-F103 HydrophobicContact CG-CE2 4.34Å; R101-F103 HydrophobicContact CG-CZ 4.11Å
102F93.2Very high92.5Very high23 Ų2363.8 Ų63.810%0.10131%0.309CS..EExtended strand (participates in β ladder)trans-104.9128.9173.8-66.1-94.2000109.6H72 H73 T90 V91 V93 I95 V100 V104 Y133H72-F102 WeakPolarHBondContact O-CA 3.46Å; H73-F102 HydrophobicContact CB-CD1 3.9Å; H73-F102 HydrophobicContact CB-CE1 3.9Å; H73-F102 HydrophobicContact CB-CG 4.41Å; H73-F102 HydrophobicContact CB-CZ 4.4Å; T90-F102 WeakPolarHBondContact CA-O 3.38Å; V91-F102 HydrophobicContact CB-CB 4.28Å; V91-F102 PolarHBondContact N-O 3.41Å; V91-F102 PolarHBondContact O-N 2.89Å; V93-F102 HydrophobicContact CG2-CD2 3.9Å; V93-F102 HydrophobicContact CG2-CE2 3.45Å; V93-F102 VanDerWaalsContact CG2-CE2 3.45Å; I95-F102 HydrophobicContact CD1-CE2 4.19Å; I95-F102 HydrophobicContact CD1-CZ 4.12Å; V100-F102 HydrophobicContact CB-CE2 3.99Å; V100-F102 HydrophobicContact CG1-CD2 4.11Å; V100-F102 HydrophobicContact CG1-CE2 3.51Å; V100-F102 HydrophobicContact CG1-CZ 3.81Å; F102-V104 HydrophobicContact CB-CG2 4.42Å; F102-Y133 HydrophobicContact CB-CD2 4.32Å; F102-Y133 HydrophobicContact CB-CE2 3.95Å; F102-Y133 AromaticContact CD1-CD2 3.98Å; F102-Y133 HydrophobicContact CD1-CD2 3.98Å; F102-Y133 AromaticContact CD1-CE2 3.74Å; F102-Y133 HydrophobicContact CD1-CE2 3.74Å; F102-Y133 AromaticContact CD2-CD2 3.86Å; F102-Y133 HydrophobicContact CD2-CD2 3.86Å; F102-Y133 HydrophobicContact CD2-CE2 4.29Å; F102-Y133 HydrophobicContact CE1-CD2 4.26Å; F102-Y133 HydrophobicContact CE1-CE2 4.32Å; F102-Y133 HydrophobicContact CE2-CD2 4.16Å; F102-Y133 AromaticContact CG-CD2 3.78Å; F102-Y133 HydrophobicContact CG-CD2 3.78Å; F102-Y133 AromaticContact CG-CE2 3.73Å; F102-Y133 HydrophobicContact CG-CE2 3.73Å; F102-Y133 HydrophobicContact CZ-CD2 4.35Å
103F93.3Very high92.7Very high34 Ų3456.8 Ų56.815%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-98.1115171.9-55.1-87.2000107.8S71 H72 N74 H87 R101S71-F103 WeakPolarHBondContact CA-O 3.43Å; H72-F103 AromaticContact CD2-CD2 3.91Å; H72-F103 PolarHBondContact N-O 3.4Å; H72-F103 AromaticContact NE2-CD2 3.9Å; H72-F103 PolarHBondContact O-N 3.42Å; N74-F103 WeakPolarHBondContact OD1-CE2 3.33Å; H87-F103 HydrophobicContact CB-CB 4.01Å; H87-F103 AromaticContact CE1-CD1 3.61Å; H87-F103 AromaticContact CG-CD1 3.94Å; H87-F103 AromaticContact ND1-CD1 3.54Å; R101-F103 HydrophobicContact CG-CE1 4.41Å; R101-F103 HydrophobicContact CG-CE2 4.34Å; R101-F103 HydrophobicContact CG-CZ 4.11Å
104V94.8Very high93Very high0 Ų056.1 Ų56.10%028%0.275CS..EExtended strand (participates in β ladder)trans-107.5128-170.7-173.40000109.4I69 D88 F89 V91 F102 V137I69-V104 HydrophobicContact CB-CG1 3.82Å; I69-V104 HydrophobicContact CD1-CG1 3.66Å; I69-V104 HydrophobicContact CG1-CG1 4.34Å; I69-V104 HydrophobicContact CG2-CG1 3.9Å; D88-V104 PolarHBondContact N-O 3.45Å; F89-V104 HydrophobicContact CD2-CB 3.82Å; F89-V104 HydrophobicContact CD2-CG1 4.35Å; F89-V104 HydrophobicContact CD2-CG2 4.08Å; F89-V104 HydrophobicContact CE1-CB 4.36Å; F89-V104 HydrophobicContact CE1-CG1 4.02Å; F89-V104 HydrophobicContact CE2-CB 3.51Å; F89-V104 HydrophobicContact CE2-CG1 3.59Å; F89-V104 HydrophobicContact CE2-CG2 3.73Å; F89-V104 HydrophobicContact CG-CB 4.37Å; F89-V104 HydrophobicContact CZ-CB 3.82Å; F89-V104 HydrophobicContact CZ-CG1 3.4Å; F89-V104 VanDerWaalsContact CZ-CG1 3.4Å; F89-V104 HydrophobicContact CZ-CG2 4.42Å; F89-V104 PolarHBondContact N-O 3.13Å; F89-V104 PolarHBondContact O-N 3.42Å; V91-V104 HydrophobicContact CG2-CG2 4.24Å; F102-V104 HydrophobicContact CB-CG2 4.42Å; V104-V137 HydrophobicContact CG2-CG2 4.38Å
105H95.2Very high93.3Very high10 Ų1055 Ų555%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-106.9135.5173.3-58.663.9000107.7I69 H70 H72 D88 W201I69-H105 CarbonylContact C-O 3.59Å; I69-H105 VanDerWaalsContact CA-O 3.23Å; I69-H105 WeakPolarHBondContact CA-O 3.32Å; I69-H105 WeakPolarHBondContact CB-O 3.36Å; H70-H105 PolarHBondContact N-O 2.83Å; H70-H105 PolarHBondContact O-N 2.91Å; H72-H105 AromaticContact CE1-CE1 3.48Å; H72-H105 PolarHBondContact CE1-CE1 3.37Å; H72-H105 VanDerWaalsContact CE1-CE1 3.48Å; D88-H105 WeakPolarHBondContact OD2-CA 3.19Å; H105-W201 HydrophobicContact CB-CH2 3.76Å; H105-W201 HydrophobicContact CB-CZ3 4.07Å; H105-W201 WeakPolarHBondContact O-CZ3 3.23Å
106K96.5Very high93.8Very high43 Ų4353.4 Ų53.419%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-86.2131.2178.3-69.4175.677.4169.90109D88 F89 V110 D111 L141 W201D88-K106 HydrophobicContact CB-CB 4.42Å; D88-K106 HydrophobicContact CB-CD 3.71Å; D88-K106 HydrophobicContact CB-CG 3.76Å; D88-K106 PolarHBondContact OD2-N 3.16Å; F89-K106 HydrophobicContact CD1-CD 4.32Å; F89-K106 HydrophobicContact CD1-CG 4.41Å; F89-K106 HydrophobicContact CE1-CD 4.01Å; F89-K106 HydrophobicContact CE1-CG 3.82Å; K106-V110 HydrophobicContact CB-CG1 3.75Å; K106-V110 HydrophobicContact CD-CG1 4.4Å; K106-V110 VanDerWaalsContact CE-CG1 3.42Å; K106-V110 HydrophobicContact CG-CG1 4.2Å; K106-D111 WeakPolarHBondContact CE-OD1 3.19Å; K106-D111 WeakPolarHBondContact CE-OD2 3.39Å; K106-D111 IonicContact NZ-OD1 2.83Å; K106-D111 PolarHBondContact NZ-OD1 2.79Å; K106-D111 IonicContact NZ-OD2 3.62Å; K106-D111 PolarHBondContact NZ-OD2 3.42Å; K106-L141 HydrophobicContact CG-CD2 4.49Å; K106-W201 WeakPolarHBondContact O-CH2 3.32Å
107R97.4Very high94.4Very high1 Ų146.7 Ų46.70%0.00422%0.221CC..PPolyproline II helixtrans-59.5137170-173.1170.7-172.1153.616.1108.4T67 L68 H109 V110 I198 K199 W201 D207 L210T67-R107 WeakPolarHBondContact O-CD 3.39Å; T67-R107 PolarHBondContact O-NH1 2.84Å; L68-R107 WeakPolarHBondContact O-CB 3.32Å; L68-R107 PolarHBondContact O-N 3.13Å; R107-H109 PolarHBondContact O-N 2.87Å; R107-V110 WeakPolarHBondContact O-CB 3.41Å; R107-V110 WeakPolarHBondContact O-CG1 3.48Å; R107-V110 PolarHBondContact O-N 2.95Å; R107-V110 VanDerWaalsContact O-N 3.11Å; R107-I198 VanDerWaalsContact NH1-CD1 3.35Å; R107-K199 PolarHBondContact NH1-O 2.81Å; R107-K199 PolarHBondContact NH2-O 2.96Å; R107-W201 HydrophobicContact CB-CD2 3.81Å; R107-W201 HydrophobicContact CB-CE3 3.75Å; R107-W201 HydrophobicContact CB-CG 4.25Å; R107-W201 HydrophobicContact CB-CZ3 4.15Å; R107-W201 HydrophobicContact CG-CB 4.1Å; R107-W201 HydrophobicContact CG-CD2 3.72Å; R107-W201 HydrophobicContact CG-CE3 4.17Å; R107-W201 HydrophobicContact CG-CG 3.66Å; R107-D207 IonicContact CZ-OD1 3.62Å; R107-D207 IonicContact CZ-OD2 2.66Å; R107-D207 IonicContact NE-OD1 3.66Å; R107-D207 PolarHBondContact NE-OD1 3.05Å; R107-D207 IonicContact NE-OD2 3.73Å; R107-D207 IonicContact NH2-OD1 2.64Å; R107-D207 PolarHBondContact NH2-OD1 2.99Å; R107-D207 IonicContact NH2-OD2 3.14Å; R107-D207 PolarHBondContact NH2-OD2 3.28Å; R107-L210 HydrophobicContact CB-CD1 4.14Å; R107-L210 HydrophobicContact CG-CD1 4.02Å; R107-L210 HydrophobicContact CG-CG 4.39Å
108P94.9Very high94.9Very high23 Ų2336.6 Ų36.615%0.14919%0.187CC..THydrogen-bonded Turntrans-48.9138.4177.8-28.833.9000111.4V110 W201 D204 D207P108-V110 VanDerWaalsContact C-N 3.26Å; P108-V110 PolarHBondContact O-N 2.89Å; P108-W201 VanDerWaalsContact CD-CE2 3.47Å; P108-W201 HydrophobicContact CG-CZ2 4.46Å; P108-D204 WeakPolarHBondContact CG-O 3.25Å; P108-D207 WeakPolarHBondContact CB-O 3.33Å; P108-D207 HydrophobicContact CG-CB 4.22Å
109H94.8Very high95.3Very high44 Ų4436.9 Ų36.920%0.20419%0.185CC..THydrogen-bonded Turntrans69.16.6179-39.9-67000116.7R107 D111 Y112 F113 L211R107-H109 PolarHBondContact O-N 2.87Å; H109-D111 VanDerWaalsContact C-N 3.33Å; H109-D111 PolarHBondContact O-N 2.86Å; H109-Y112 PolarHBondContact O-N 3.21Å; H109-F113 VanDerWaalsContact O-CB 3.31Å; H109-F113 WeakPolarHBondContact O-CB 3.23Å; H109-F113 PolarHBondContact O-N 2.93Å; H109-L211 HydrophobicContact CB-CD1 4.17Å; H109-L211 HydrophobicContact CB-CD2 3.74Å; H109-L211 HydrophobicContact CB-CG 3.64Å; H109-L211 WeakPolarHBondContact CD2-CD1 3.35Å; H109-L211 VanDerWaalsContact CG-CD1 3.4Å; H109-L211 VanDerWaalsContact CG-CG 3.43Å; H109-L211 WeakPolarHBondContact NE2-CD1 3.23Å
110V97.4Very high95.7Very high2 Ų232.2 Ų32.21%0.01215%0.153CC..Hα-helixtrans-56.1-41.1-178.167.20000114L68 K106 R107 P108 F113 L114 L141 L210L68-V110 HydrophobicContact CB-CG2 3.92Å; L68-V110 HydrophobicContact CD2-CG2 4.11Å; L68-V110 HydrophobicContact CG-CG2 4.4Å; K106-V110 HydrophobicContact CB-CG1 3.75Å; K106-V110 HydrophobicContact CD-CG1 4.4Å; K106-V110 VanDerWaalsContact CE-CG1 3.42Å; K106-V110 HydrophobicContact CG-CG1 4.2Å; R107-V110 WeakPolarHBondContact O-CB 3.41Å; R107-V110 WeakPolarHBondContact O-CG1 3.48Å; R107-V110 PolarHBondContact O-N 2.95Å; R107-V110 VanDerWaalsContact O-N 3.11Å; P108-V110 VanDerWaalsContact C-N 3.26Å; P108-V110 PolarHBondContact O-N 2.89Å; V110-F113 PolarHBondContact O-N 3.23Å; V110-L114 HydrophobicContact CG2-CD1 4.12Å; V110-L114 HydrophobicContact CG2-CG 4.4Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 VanDerWaalsContact O-CG 3.28Å; V110-L114 WeakPolarHBondContact O-CG 3.3Å; V110-L114 PolarHBondContact O-N 2.98Å; V110-L141 HydrophobicContact CG1-CD2 4.41Å; V110-L141 HydrophobicContact CG2-CD2 4.33Å; V110-L210 HydrophobicContact CB-CD1 3.96Å; V110-L210 HydrophobicContact CG2-CD1 4.29Å
111D96.6Very high96Very high65 Ų6530.8 Ų30.835%0.34814%0.144SC..Hα-helixtrans-64.7-48.8-179.7-65.8-46.1000111.8K106 H109 F113 L114 D115K106-D111 WeakPolarHBondContact CE-OD1 3.19Å; K106-D111 WeakPolarHBondContact CE-OD2 3.39Å; K106-D111 IonicContact NZ-OD1 2.83Å; K106-D111 PolarHBondContact NZ-OD1 2.79Å; K106-D111 IonicContact NZ-OD2 3.62Å; K106-D111 PolarHBondContact NZ-OD2 3.42Å; H109-D111 VanDerWaalsContact C-N 3.33Å; H109-D111 PolarHBondContact O-N 2.86Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-L114 PolarHBondContact O-N 2.93Å; D111-D115 PolarHBondContact O-N 3.13Å
112Y95.4Very high96.3Very high73 Ų7329.3 Ų29.329%0.28614%0.144SC..Hα-helixtrans-63.4-41.7178.5175.9-103.8000111.3Y39 H109 D115 V116 L211 L214Y39-Y112 PolarHBondContact N-OH 2.83Å; Y39-Y112 PolarHBondContact O-OH 3.32Å; H109-Y112 PolarHBondContact O-N 3.21Å; Y112-D115 PolarHBondContact O-N 3Å; Y112-V116 HydrophobicContact CD2-CG2 4.36Å; Y112-V116 HydrophobicContact CE1-CG2 4.12Å; Y112-V116 HydrophobicContact CE2-CG2 3.93Å; Y112-V116 WeakPolarHBondContact O-CG2 3.32Å; Y112-V116 PolarHBondContact O-N 2.65Å; Y112-L211 HydrophobicContact CD1-CD2 3.59Å; Y112-L211 HydrophobicContact CE1-CD2 3.76Å; Y112-L214 HydrophobicContact CD1-CD1 4.35Å; Y112-L214 HydrophobicContact CE1-CD1 3.8Å
113F97.4Very high96.6Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-56.1-52.3173.3173.7-95.1000110.7L62 L68 H109 V110 D111 D115 V116 V117 I181 L210 L214 L217L62-F113 HydrophobicContact CD1-CE1 4.48Å; L62-F113 HydrophobicContact CD2-CE1 4Å; L62-F113 HydrophobicContact CD2-CZ 4.33Å; L68-F113 HydrophobicContact CD2-CD1 4.46Å; L68-F113 HydrophobicContact CD2-CE1 4.38Å; H109-F113 VanDerWaalsContact O-CB 3.31Å; H109-F113 WeakPolarHBondContact O-CB 3.23Å; H109-F113 PolarHBondContact O-N 2.93Å; V110-F113 PolarHBondContact O-N 3.23Å; D111-F113 VanDerWaalsContact C-N 3.33Å; F113-D115 PolarHBondContact O-N 3.37Å; F113-V116 PolarHBondContact O-N 3.36Å; F113-V117 HydrophobicContact CD1-CG2 4.16Å; F113-V117 HydrophobicContact CD2-CG1 4.11Å; F113-V117 HydrophobicContact CE1-CG1 4.27Å; F113-V117 HydrophobicContact CE1-CG2 3.85Å; F113-V117 HydrophobicContact CE2-CG1 3.77Å; F113-V117 HydrophobicContact CZ-CG1 3.85Å; F113-V117 HydrophobicContact CZ-CG2 4.2Å; F113-V117 WeakPolarHBondContact O-CG2 3.46Å; F113-V117 PolarHBondContact O-N 2.86Å; F113-I181 HydrophobicContact CZ-CD1 3.87Å; F113-L210 HydrophobicContact CB-CB 4.17Å; F113-L210 HydrophobicContact CB-CD1 4.45Å; F113-L210 HydrophobicContact CD1-CD2 4.38Å; F113-L210 HydrophobicContact CD2-CB 3.93Å; F113-L210 HydrophobicContact CD2-CD2 4.44Å; F113-L210 VanDerWaalsContact CD2-O 3.3Å; F113-L210 WeakPolarHBondContact CD2-O 3.5Å; F113-L210 HydrophobicContact CE1-CD2 4.39Å; F113-L210 HydrophobicContact CE2-CD2 4.43Å; F113-L210 HydrophobicContact CG-CB 4.06Å; F113-L210 HydrophobicContact CG-CD2 4.4Å; F113-L210 HydrophobicContact CZ-CD2 4.41Å; F113-L214 HydrophobicContact CD2-CD2 3.73Å; F113-L214 HydrophobicContact CD2-CG 4.37Å; F113-L214 HydrophobicContact CE2-CD2 4.13Å; F113-L217 HydrophobicContact CE2-CD1 3.58Å; F113-L217 HydrophobicContact CZ-CD1 3.87Å
114L98.3Very high96.8Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-61.8-39.6178.7-70.7175.2000112.6L62 L68 V110 D111 V116 S118 L123 L141 I147 L148L62-L114 HydrophobicContact CD1-CD2 3.69Å; L68-L114 HydrophobicContact CD1-CD2 4.49Å; V110-L114 HydrophobicContact CG2-CD1 4.12Å; V110-L114 HydrophobicContact CG2-CG 4.4Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 VanDerWaalsContact O-CG 3.28Å; V110-L114 WeakPolarHBondContact O-CG 3.3Å; V110-L114 PolarHBondContact O-N 2.98Å; D111-L114 PolarHBondContact O-N 2.93Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 2.85Å; L114-S118 WeakPolarHBondContact O-CB 3.35Å; L114-S118 PolarHBondContact O-N 3.06Å; L114-S118 PolarHBondContact O-OG 3.12Å; L114-L123 HydrophobicContact CD2-CD1 4.14Å; L114-L141 HydrophobicContact CD1-CB 4.23Å; L114-I147 HydrophobicContact CB-CD1 4.03Å; L114-L148 HydrophobicContact CD2-CD2 4.32Å
115D95.8Very high97Very high69 Ų6927 Ų2737%0.36913%0.134SC..Hα-helixtrans-60.7-40.6175.2-78.7-33.1000112D111 Y112 F113 S118 Q119 R145D111-D115 PolarHBondContact O-N 3.13Å; Y112-D115 PolarHBondContact O-N 3Å; F113-D115 PolarHBondContact O-N 3.37Å; D115-S118 PolarHBondContact O-OG 2.91Å; D115-Q119 WeakPolarHBondContact O-CG 3.13Å; D115-Q119 PolarHBondContact O-NE2 2.73Å; D115-R145 VanDerWaalsContact CG-NH1 3.26Å; D115-R145 IonicContact OD1-CZ 2.74Å; D115-R145 IonicContact OD1-NH1 3.65Å; D115-R145 PolarHBondContact OD1-NH1 2.75Å; D115-R145 IonicContact OD2-NH1 3.48Å
116V96.2Very high97.2Very high3 Ų326.7 Ų26.72%0.01813%0.132CC..Hα-helixtrans-74.7-53.2179.9173.40000110.9L41 Y112 F113 L114 S118 Q119 W120 L214L41-V116 HydrophobicContact CD2-CG1 4.22Å; Y112-V116 HydrophobicContact CD2-CG2 4.36Å; Y112-V116 HydrophobicContact CE1-CG2 4.12Å; Y112-V116 HydrophobicContact CE2-CG2 3.93Å; Y112-V116 WeakPolarHBondContact O-CG2 3.32Å; Y112-V116 PolarHBondContact O-N 2.65Å; F113-V116 PolarHBondContact O-N 3.36Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 2.85Å; V116-S118 VanDerWaalsContact C-N 3.32Å; V116-S118 PolarHBondContact O-N 3.41Å; V116-Q119 WeakPolarHBondContact O-CB 3.43Å; V116-Q119 PolarHBondContact O-N 3.03Å; V116-Q119 VanDerWaalsContact O-N 3.15Å; V116-W120 HydrophobicContact CG1-CD2 4.13Å; V116-W120 HydrophobicContact CG1-CE3 4.02Å; V116-W120 HydrophobicContact CG1-CH2 3.19Å; V116-W120 HydrophobicContact CG1-CZ2 3.29Å; V116-W120 HydrophobicContact CG1-CZ3 3.57Å; V116-L214 HydrophobicContact CB-CD2 4.19Å; V116-L214 HydrophobicContact CG1-CD2 3.86Å
117V97.9Very high97.3Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-71.5-26.3-172.8-57.10000113L60 F113 Q119 W120 Y121 L123 L214 L217L60-V117 HydrophobicContact CD2-CB 4.03Å; L60-V117 HydrophobicContact CD2-CG1 4.4Å; L60-V117 HydrophobicContact CD2-CG2 4.04Å; F113-V117 HydrophobicContact CD1-CG2 4.16Å; F113-V117 HydrophobicContact CD2-CG1 4.11Å; F113-V117 HydrophobicContact CE1-CG1 4.27Å; F113-V117 HydrophobicContact CE1-CG2 3.85Å; F113-V117 HydrophobicContact CE2-CG1 3.77Å; F113-V117 HydrophobicContact CZ-CG1 3.85Å; F113-V117 HydrophobicContact CZ-CG2 4.2Å; F113-V117 WeakPolarHBondContact O-CG2 3.46Å; F113-V117 PolarHBondContact O-N 2.86Å; V117-Q119 PolarHBondContact O-N 3.36Å; V117-W120 HydrophobicContact CG1-CE3 4.19Å; V117-W120 HydrophobicContact CG1-CZ3 4.37Å; V117-W120 PolarHBondContact O-N 2.7Å; V117-Y121 HydrophobicContact CB-CD2 4.28Å; V117-Y121 PolarHBondContact O-N 3.44Å; V117-L123 HydrophobicContact CB-CD2 4.43Å; V117-L123 HydrophobicContact CG2-CD1 4.08Å; V117-L123 HydrophobicContact CG2-CD2 3.85Å; V117-L214 HydrophobicContact CG1-CD2 3.86Å; V117-L217 HydrophobicContact CG1-CD1 3.78Å
118S97.9Very high97.2Very high24 Ų2426 Ų2617%0.16814%0.135CC..Hα-helixtrans-65.6-22.3173.761.50000113.2R57 L114 D115 V116 W120R57-S118 PolarHBondContact NH2-O 2.87Å; L114-S118 WeakPolarHBondContact O-CB 3.35Å; L114-S118 PolarHBondContact O-N 3.06Å; L114-S118 PolarHBondContact O-OG 3.12Å; D115-S118 PolarHBondContact O-OG 2.91Å; V116-S118 VanDerWaalsContact C-N 3.32Å; V116-S118 PolarHBondContact O-N 3.41Å; S118-W120 VanDerWaalsContact C-N 3.3Å
119Q95.8Very high97.2Very high112 Ų11226 Ų2652%0.52314%0.135SC..Hα-helixtrans-76.9-21.4172.3-64171.657.600111.9R57 D115 V116 V117R57-Q119 PolarHBondContact NH1-O 3.35Å; R57-Q119 VanDerWaalsContact NH2-C 3.31Å; R57-Q119 PolarHBondContact NH2-O 3.03Å; D115-Q119 WeakPolarHBondContact O-CG 3.13Å; D115-Q119 PolarHBondContact O-NE2 2.73Å; V116-Q119 WeakPolarHBondContact O-CB 3.43Å; V116-Q119 PolarHBondContact O-N 3.03Å; V116-Q119 VanDerWaalsContact O-N 3.15Å; V117-Q119 PolarHBondContact O-N 3.36Å
120W96.8Very high97.3Very high16 Ų1627 Ų276%0.06114%0.14CC..Hα-helixtrans-103.8-33.4-172.8-58.2-18.5000113.9Y39 L41 R57 V116 V117 S118 L214 L217 D218 R221Y39-W120 AromaticContact CD1-CH2 3.93Å; Y39-W120 HydrophobicContact CD1-CH2 3.93Å; Y39-W120 HydrophobicContact CD1-CZ2 4.27Å; Y39-W120 AromaticContact CE1-CH2 3.51Å; Y39-W120 HydrophobicContact CE1-CH2 3.51Å; Y39-W120 AromaticContact CE1-CZ2 3.79Å; Y39-W120 HydrophobicContact CE1-CZ2 3.79Å; L41-W120 HydrophobicContact CD2-CH2 4.41Å; L41-W120 HydrophobicContact CD2-CZ2 3.48Å; L41-W120 VanDerWaalsContact CD2-CZ2 3.48Å; R57-W120 PolarHBondContact NH1-O 2.85Å; V116-W120 HydrophobicContact CG1-CD2 4.13Å; V116-W120 HydrophobicContact CG1-CE3 4.02Å; V116-W120 HydrophobicContact CG1-CH2 3.19Å; V116-W120 HydrophobicContact CG1-CZ2 3.29Å; V116-W120 HydrophobicContact CG1-CZ3 3.57Å; V117-W120 HydrophobicContact CG1-CE3 4.19Å; V117-W120 HydrophobicContact CG1-CZ3 4.37Å; V117-W120 PolarHBondContact O-N 2.7Å; S118-W120 VanDerWaalsContact C-N 3.3Å; W120-L214 HydrophobicContact CH2-CD2 4.4Å; W120-L214 HydrophobicContact CZ3-CD2 4.08Å; W120-L217 HydrophobicContact CE3-CB 4.38Å; W120-L217 HydrophobicContact CZ3-CB 4.1Å; W120-D218 HydrophobicContact CH2-CB 3.75Å; W120-D218 HydrophobicContact CZ2-CB 4.16Å; W120-D218 HydrophobicContact CZ3-CB 4.07Å; W120-R221 HydrophobicContact CB-CG 4.08Å; W120-R221 HydrophobicContact CG-CG 4.38Å
121Y98.5Very high97.2Very high3 Ų331.3 Ų31.31%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-128.6155.1-169.9-63.8-76.2000112.5R57 K58 L60 V117 F179 L217 L220 R221R57-Y121 VanDerWaalsContact NH2-C 3.26Å; R57-Y121 PolarHBondContact NH2-O 2.79Å; K58-Y121 HydrophobicContact CB-CD1 3.55Å; K58-Y121 HydrophobicContact CB-CE1 3.56Å; K58-Y121 HydrophobicContact CD-CE1 4.08Å; K58-Y121 HydrophobicContact CG-CE1 4.42Å; K58-Y121 WeakPolarHBondContact O-CA 3.49Å; L60-Y121 HydrophobicContact CB-CD1 4.18Å; L60-Y121 HydrophobicContact CB-CD2 4.4Å; L60-Y121 HydrophobicContact CB-CG 3.82Å; L60-Y121 HydrophobicContact CD2-CD2 4.14Å; L60-Y121 HydrophobicContact CD2-CG 4.38Å; V117-Y121 HydrophobicContact CB-CD2 4.28Å; V117-Y121 PolarHBondContact O-N 3.44Å; Y121-F179 HydrophobicContact CD1-CE1 4.01Å; Y121-F179 HydrophobicContact CD1-CZ 4.07Å; Y121-F179 AromaticContact CE1-CE1 3.55Å; Y121-F179 HydrophobicContact CE1-CE1 3.55Å; Y121-F179 AromaticContact CE1-CZ 3.56Å; Y121-F179 HydrophobicContact CE1-CZ 3.56Å; Y121-F179 HydrophobicContact CE2-CZ 4.4Å; Y121-F179 AromaticContact CZ-CZ 3.75Å; Y121-L217 HydrophobicContact CE2-CB 4.2Å; Y121-L217 PolarHBondContact OH-O 2.77Å; Y121-L220 VanDerWaalsContact OH-CB 3.31Å; Y121-L220 WeakPolarHBondContact OH-CB 3.31Å; Y121-R221 HydrophobicContact CE2-CG 4.3Å; Y121-R221 PolarHBondContact OH-N 2.88Å
122D98.4Very high97.2Very high71 Ų7132.1 Ų32.138%0.3816%0.164SC..EExtended strand (participates in β ladder)trans-81.4112.8162.6-61.1-31.4000107.7R57 K58 T59 L60R57-D122 VanDerWaalsContact CD-OD1 3.28Å; R57-D122 WeakPolarHBondContact CD-OD1 3.14Å; R57-D122 IonicContact CZ-OD1 3.79Å; R57-D122 IonicContact NE-OD1 2.65Å; R57-D122 PolarHBondContact NE-OD1 3.22Å; K58-D122 PolarHBondContact O-N 2.61Å; T59-D122 WeakPolarHBondContact CA-O 3.5Å; L60-D122 PolarHBondContact N-O 2.9Å
123L98.8Very high97.2Very high9 Ų929 Ų295%0.04715%0.152CC..EExtended strand (participates in β ladder)trans-84.8138.4-174.1-51.9-173.5000111.1L60 L62 L114 V117 I147 L148L60-L123 HydrophobicContact CB-CD2 4Å; L60-L123 HydrophobicContact CD2-CD2 4.01Å; L60-L123 HydrophobicContact CG-CD2 4.24Å; L60-L123 WeakPolarHBondContact O-CA 3.45Å; L62-L123 HydrophobicContact CD1-CD1 4.39Å; L62-L123 HydrophobicContact CD1-CD2 4.46Å; L114-L123 HydrophobicContact CD2-CD1 4.14Å; V117-L123 HydrophobicContact CB-CD2 4.43Å; V117-L123 HydrophobicContact CG2-CD1 4.08Å; V117-L123 HydrophobicContact CG2-CD2 3.85Å; L123-I147 HydrophobicContact CD1-CB 4.47Å; L123-I147 HydrophobicContact CD1-CD1 4.4Å; L123-L148 HydrophobicContact CB-CD2 3.88Å; L123-L148 HydrophobicContact CD1-CD2 3.94Å
124V98.8Very high97.2Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-130.7126.91751790000108.3T59 L60 V61 L62 R150 Y152 I171T59-V124 HydrophobicContact CG2-CB 4.41Å; T59-V124 HydrophobicContact CG2-CG2 3.56Å; L60-V124 PolarHBondContact O-N 3.01Å; V61-V124 CarbonylContact C-O 3.58Å; V61-V124 WeakPolarHBondContact CA-O 3.16Å; V61-V124 HydrophobicContact CG2-CB 4.24Å; L62-V124 PolarHBondContact N-O 3.1Å; V124-R150 WeakPolarHBondContact CA-O 3.33Å; V124-R150 HydrophobicContact CB-CB 4.38Å; V124-R150 HydrophobicContact CG1-CB 4.22Å; V124-R150 HydrophobicContact CG2-CB 3.86Å; V124-Y152 HydrophobicContact CG1-CD2 3.53Å; V124-Y152 HydrophobicContact CG1-CE2 3.66Å; V124-I171 HydrophobicContact CG1-CD1 4.11Å; V124-I171 HydrophobicContact CG1-CG2 4.15Å; V124-I171 HydrophobicContact CG2-CG2 3.98Å
125V98.8Very high97.2Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-81.5129.1168.1175.80000108L62 L64 A138 L148 R150 R151 Y152L62-V125 WeakPolarHBondContact O-CA 3.41Å; L64-V125 HydrophobicContact CD1-CG1 3.84Å; L64-V125 HydrophobicContact CD2-CG1 3.82Å; L64-V125 HydrophobicContact CD2-CG2 4.46Å; L64-V125 HydrophobicContact CG-CG1 3.73Å; V125-A138 HydrophobicContact CG2-CB 4.28Å; V125-L148 HydrophobicContact CG2-CB 4Å; V125-L148 HydrophobicContact CG2-CD1 3.99Å; V125-L148 HydrophobicContact CG2-CD2 4.03Å; V125-L148 HydrophobicContact CG2-CG 4.21Å; V125-R150 PolarHBondContact N-O 2.78Å; V125-R151 HydrophobicContact CB-CB 4.36Å; V125-R151 HydrophobicContact CB-CG 4.16Å; V125-R151 HydrophobicContact CG2-CG 4.49Å; V125-R151 CarbonylContact O-C 3.53Å; V125-R151 WeakPolarHBondContact O-CA 3.36Å; V125-Y152 PolarHBondContact O-N 3.34Å
126F98.7Very high97.3Very high3 Ų328.1 Ų28.11%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-136.4105168.6-163.3170.2000108.8V61 L62 Y152 H156 C157 K166 I171V61-F126 HydrophobicContact CG1-CB 3.38Å; V61-F126 HydrophobicContact CG1-CD1 4.24Å; V61-F126 HydrophobicContact CG1-CG 4.35Å; L62-F126 PolarHBondContact O-N 2.83Å; F126-Y152 WeakPolarHBondContact CA-O 3.32Å; F126-H156 HydrophobicContact CE2-CB 4.19Å; F126-H156 HydrophobicContact CZ-CB 4.39Å; F126-C157 VanDerWaalsContact CE2-SG 3.53Å; F126-K166 HydrophobicContact CB-CD 4.27Å; F126-K166 HydrophobicContact CD1-CB 3.69Å; F126-K166 HydrophobicContact CD1-CD 4.05Å; F126-K166 HydrophobicContact CD1-CG 3.96Å; F126-K166 HydrophobicContact CD2-CD 4.07Å; F126-K166 HydrophobicContact CD2-CG 4.01Å; F126-K166 HydrophobicContact CE1-CB 3.46Å; F126-K166 VanDerWaalsContact CE1-CB 3.46Å; F126-K166 HydrophobicContact CE1-CG 3.93Å; F126-K166 HydrophobicContact CE2-CB 4.39Å; F126-K166 HydrophobicContact CE2-CG 3.96Å; F126-K166 HydrophobicContact CG-CB 4.29Å; F126-K166 HydrophobicContact CG-CD 3.84Å; F126-K166 HydrophobicContact CG-CG 4.04Å; F126-K166 HydrophobicContact CZ-CB 3.85Å; F126-K166 HydrophobicContact CZ-CG 3.92Å; F126-K166 VanDerWaalsContact O-CE 3.29Å; F126-K166 WeakPolarHBondContact O-CE 3.43Å; F126-K166 PolarHBondContact O-NZ 3.47Å; F126-I171 HydrophobicContact CD1-CD1 3.46Å; F126-I171 VanDerWaalsContact CD1-CD1 3.46Å; F126-I171 HydrophobicContact CE1-CD1 3.87Å; F126-I171 HydrophobicContact CG-CD1 4.35Å
127T98.3Very high97.4Very high1 Ų128 Ų281%0.00615%0.153CC..  trans-116.9147.3-179.11780000111.4L64 S129 Y152 Y153 R154L64-T127 HydrophobicContact CD1-CG2 3.97Å; L64-T127 HydrophobicContact CG-CG2 4.43Å; T127-S129 PolarHBondContact O-N 2.8Å; T127-S129 WeakPolarHBondContact OG1-CB 3.42Å; T127-S129 PolarHBondContact OG1-N 2.95Å; T127-Y152 PolarHBondContact N-O 2.74Å; T127-Y153 HydrophobicContact CG2-CD1 3.73Å; T127-Y153 HydrophobicContact CG2-CE1 4.38Å; T127-Y153 CarbonylContact O-C 3.5Å; T127-Y153 VanDerWaalsContact O-CA 3.25Å; T127-Y153 WeakPolarHBondContact O-CA 3.47Å; T127-R154 PolarHBondContact O-N 3.27Å
128A96.4Very high97.4Very high29 Ų2928 Ų2824%0.2415%0.153CC..SBendtrans-78.25.4168.700000112.8R154 Y164A128-R154 WeakPolarHBondContact O-CB 3.47Å; A128-R154 PolarHBondContact O-NE 3.42Å; A128-R154 PolarHBondContact O-NH2 3.2Å; A128-Y164 HydrophobicContact CB-CD2 4.12Å; A128-Y164 HydrophobicContact CB-CG 4.26Å
129S95.2Very high97.4Very high21 Ų2131 Ų3115%0.14717%0.168CC..SBendtrans-85.7160.8176.2-70.60000113D65 T127 R154D65-S129 PolarHBondContact OD2-OG 2.93Å; T127-S129 PolarHBondContact O-N 2.8Å; T127-S129 WeakPolarHBondContact OG1-CB 3.42Å; T127-S129 PolarHBondContact OG1-N 2.95Å; S129-R154 WeakPolarHBondContact O-CB 3.08Å; S129-R154 PolarHBondContact O-N 2.78Å
130M95.1Very high97.5Very high65 Ų6531.3 Ų31.332%0.3217%0.167SC..  trans-65.5144.6177.4-60.1-170.7-71.400111I95 I132 Y133 G134I95-M130 HydrophobicContact CD1-CE 3.57Å; I95-M130 HydrophobicContact CG1-CE 3.83Å; I95-M130 HydrophobicContact CG2-CE 4.01Å; M130-I132 VanDerWaalsContact C-N 3.33Å; M130-I132 HydrophobicContact CB-CG1 4.01Å; M130-I132 HydrophobicContact CE-CD1 4.16Å; M130-I132 PolarHBondContact O-N 3.14Å; M130-Y133 PolarHBondContact O-N 2.99Å; M130-Y133 VanDerWaalsContact O-N 3.1Å; M130-G134 PolarHBondContact O-N 3.27Å
131E97.1Very high97.6Very high94 Ų9430.5 Ų30.544%0.43916%0.164SC..Hα-helixtrans-53.2-45.9180174.1163.7-163.500113.4Y133 G134 A135 Y153 Q155E131-Y133 PolarHBondContact O-N 2.91Å; E131-G134 PolarHBondContact O-N 3.11Å; E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.81Å; E131-Y153 HydrophobicContact CB-CD1 4.26Å; E131-Y153 HydrophobicContact CB-CD2 3.53Å; E131-Y153 HydrophobicContact CB-CE2 3.97Å; E131-Y153 HydrophobicContact CB-CG 3.69Å; E131-Y153 HydrophobicContact CG-CD2 3.54Å; E131-Y153 HydrophobicContact CG-CE2 3.45Å; E131-Y153 VanDerWaalsContact CG-CE2 3.45Å; E131-Y153 HydrophobicContact CG-CG 4.15Å; E131-Q155 PolarHBondContact OE2-NE2 2.78Å
132I95.5Very high97.6Very high81 Ų8130.9 Ų30.942%0.41517%0.166SC..Hα-helixtrans-53.4-34.4-179.855.2172.9000113.2V93 I95 M130V93-I132 HydrophobicContact CB-CD1 4.46Å; V93-I132 WeakPolarHBondContact CG1-O 3.34Å; I95-I132 HydrophobicContact CG1-CD1 3.83Å; M130-I132 VanDerWaalsContact C-N 3.33Å; M130-I132 HydrophobicContact CB-CG1 4.01Å; M130-I132 HydrophobicContact CE-CD1 4.16Å; M130-I132 PolarHBondContact O-N 3.14Å
133Y96.1Very high97.5Very high8 Ų833.8 Ų33.83%0.03118%0.182CC..Hα-helixtrans-88.9-50.2176.9163.1-96.2000111.2D65 I69 S71 V91 F102 M130 E131 A135 A136 V137D65-Y133 WeakPolarHBondContact OD1-CE1 3.44Å; D65-Y133 PolarHBondContact OD1-OH 2.64Å; D65-Y133 WeakPolarHBondContact OD2-CE1 3.33Å; I69-Y133 WeakPolarHBondContact CD1-OH 3.39Å; S71-Y133 WeakPolarHBondContact CB-OH 3.32Å; S71-Y133 PolarHBondContact OG-OH 3.33Å; V91-Y133 HydrophobicContact CG1-CD2 4.26Å; F102-Y133 HydrophobicContact CB-CD2 4.32Å; F102-Y133 HydrophobicContact CB-CE2 3.95Å; F102-Y133 AromaticContact CD1-CD2 3.98Å; F102-Y133 HydrophobicContact CD1-CD2 3.98Å; F102-Y133 AromaticContact CD1-CE2 3.74Å; F102-Y133 HydrophobicContact CD1-CE2 3.74Å; F102-Y133 AromaticContact CD2-CD2 3.86Å; F102-Y133 HydrophobicContact CD2-CD2 3.86Å; F102-Y133 HydrophobicContact CD2-CE2 4.29Å; F102-Y133 HydrophobicContact CE1-CD2 4.26Å; F102-Y133 HydrophobicContact CE1-CE2 4.32Å; F102-Y133 HydrophobicContact CE2-CD2 4.16Å; F102-Y133 AromaticContact CG-CD2 3.78Å; F102-Y133 HydrophobicContact CG-CD2 3.78Å; F102-Y133 AromaticContact CG-CE2 3.73Å; F102-Y133 HydrophobicContact CG-CE2 3.73Å; F102-Y133 HydrophobicContact CZ-CD2 4.35Å; M130-Y133 PolarHBondContact O-N 2.99Å; M130-Y133 VanDerWaalsContact O-N 3.1Å; E131-Y133 PolarHBondContact O-N 2.91Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 PolarHBondContact O-N 2.83Å; Y133-A136 PolarHBondContact O-N 3.35Å; Y133-V137 HydrophobicContact CD2-CG2 4.08Å; Y133-V137 HydrophobicContact CE1-CG2 4.09Å; Y133-V137 HydrophobicContact CE2-CG2 3.56Å; Y133-V137 PolarHBondContact O-N 3.44Å
134G97.5Very high97.4Very high0 Ų036.3 Ų36.30%021%0.21CC..Hα-helixtrans-62-38-175.600000112.9M130 E131 A138M130-G134 PolarHBondContact O-N 3.27Å; E131-G134 PolarHBondContact O-N 3.11Å; G134-A138 VanDerWaalsContact O-CB 3.23Å; G134-A138 WeakPolarHBondContact O-CB 3.39Å; G134-A138 PolarHBondContact O-N 3.34Å
135A97.8Very high97.3Very high20 Ų2039.7 Ų39.717%0.16522%0.223CC..Hα-helixtrans-62.3-48.4174.400000111.5E131 Y133 V137 A138 D139 R151 Y153E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.81Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 PolarHBondContact O-N 2.83Å; A135-V137 VanDerWaalsContact C-N 3.34Å; A135-V137 PolarHBondContact O-N 2.77Å; A135-A138 PolarHBondContact O-N 3.44Å; A135-D139 VanDerWaalsContact O-CG 3.26Å; A135-D139 PolarHBondContact O-N 2.94Å; A135-R151 PolarHBondContact O-NH1 2.89Å; A135-Y153 WeakPolarHBondContact CA-OH 3.28Å; A135-Y153 HydrophobicContact CB-CE1 4.44Å; A135-Y153 VanDerWaalsContact CB-OH 3.3Å; A135-Y153 WeakPolarHBondContact CB-OH 2.96Å
136A97.4Very high97.2Very high30 Ų3043.9 Ų43.925%0.24825%0.245CC..Hα-helixtrans-63.5-39-179.800000112.4V91 Y133 K140V91-A136 HydrophobicContact CG1-CB 3.59Å; V91-A136 HydrophobicContact CG2-CB 4.19Å; Y133-A136 PolarHBondContact O-N 3.35Å; A136-K140 WeakPolarHBondContact O-CG 3.29Å; A136-K140 PolarHBondContact O-N 3.01Å
137V98.3Very high97.2Very high0 Ų045.5 Ų45.50%025%0.253CS..Hα-helixtrans-65.2-48.1172.9172.30000110.8L64 I69 F89 V91 V104 Y133 A135 D139 K140 L141L64-V137 HydrophobicContact CD1-CB 4.36Å; L64-V137 HydrophobicContact CD1-CG1 4.19Å; I69-V137 HydrophobicContact CD1-CG1 3.7Å; I69-V137 HydrophobicContact CD1-CG2 4.27Å; I69-V137 HydrophobicContact CG1-CG1 4.13Å; I69-V137 HydrophobicContact CG2-CG1 4.44Å; F89-V137 HydrophobicContact CZ-CG1 4.45Å; V91-V137 HydrophobicContact CG2-CG2 4.07Å; V104-V137 HydrophobicContact CG2-CG2 4.38Å; Y133-V137 HydrophobicContact CD2-CG2 4.08Å; Y133-V137 HydrophobicContact CE1-CG2 4.09Å; Y133-V137 HydrophobicContact CE2-CG2 3.56Å; Y133-V137 PolarHBondContact O-N 3.44Å; A135-V137 VanDerWaalsContact C-N 3.34Å; A135-V137 PolarHBondContact O-N 2.77Å; V137-D139 VanDerWaalsContact C-N 3.28Å; V137-D139 PolarHBondContact O-N 3.44Å; V137-K140 PolarHBondContact O-N 3.01Å; V137-K140 VanDerWaalsContact O-N 3.15Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.4Å; V137-L141 WeakPolarHBondContact O-CG 3.46Å; V137-L141 PolarHBondContact O-N 3.31Å
138A98.4Very high97.2Very high0 Ų045.5 Ų45.50%025%0.253CS..Hα-helixtrans-60.5-36.9179.600000112.1V125 G134 A135 L141 D142V125-A138 HydrophobicContact CG2-CB 4.28Å; G134-A138 VanDerWaalsContact O-CB 3.23Å; G134-A138 WeakPolarHBondContact O-CB 3.39Å; G134-A138 PolarHBondContact O-N 3.34Å; A135-A138 PolarHBondContact O-N 3.44Å; A138-L141 PolarHBondContact O-N 3.15Å; A138-D142 WeakPolarHBondContact O-CB 3.49Å; A138-D142 PolarHBondContact O-N 3.25Å
139D98.2Very high97.2Very high88 Ų8852.6 Ų52.647%0.47127%0.274SS..Hα-helixtrans-65.4-41175-69.7-26.7000112.4A135 V137 D142 N143 R151A135-D139 VanDerWaalsContact O-CG 3.26Å; A135-D139 PolarHBondContact O-N 2.94Å; V137-D139 VanDerWaalsContact C-N 3.28Å; V137-D139 PolarHBondContact O-N 3.44Å; D139-D142 PolarHBondContact O-N 3.2Å; D139-N143 PolarHBondContact O-N 2.87Å; D139-R151 IonicContact OD1-CZ 3.28Å; D139-R151 IonicContact OD1-NH1 3.84Å; D139-R151 PolarHBondContact OD1-NH1 2.75Å; D139-R151 IonicContact OD1-NH2 2.86Å; D139-R151 PolarHBondContact OD1-NH2 3.19Å; D139-R151 IonicContact OD2-NH1 2.71Å
140K98.2Very high97.4Very high118 Ų11856 Ų5651%0.51328%0.283SS..Hα-helixtrans-66.5-37.8176.2-69.2-66.5179.5-172.10112.2F89 A136 V137F89-K140 HydrophobicContact CD1-CB 4.32Å; F89-K140 HydrophobicContact CD2-CB 3.82Å; F89-K140 HydrophobicContact CD2-CD 4.44Å; F89-K140 HydrophobicContact CD2-CG 3.73Å; F89-K140 HydrophobicContact CE1-CB 4.1Å; F89-K140 HydrophobicContact CE2-CB 3.57Å; F89-K140 HydrophobicContact CE2-CG 3.86Å; F89-K140 HydrophobicContact CG-CB 4.18Å; F89-K140 HydrophobicContact CG-CG 4.26Å; F89-K140 HydrophobicContact CZ-CB 3.72Å; F89-K140 HydrophobicContact CZ-CG 4.5Å; A136-K140 WeakPolarHBondContact O-CG 3.29Å; A136-K140 PolarHBondContact O-N 3.01Å; V137-K140 PolarHBondContact O-N 3.01Å; V137-K140 VanDerWaalsContact O-N 3.15Å
141L98.3Very high97.6Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-70.7-44.8173.6-68.2178.2000111.3L64 L68 I69 F89 K106 V110 L114 V137 A138 N143 R145 L148L64-L141 HydrophobicContact CD2-CD1 4.17Å; L68-L141 HydrophobicContact CB-CD1 4.36Å; L68-L141 HydrophobicContact CD1-CD1 4.26Å; I69-L141 HydrophobicContact CG2-CD1 4.06Å; I69-L141 HydrophobicContact CG2-CD2 4.03Å; I69-L141 HydrophobicContact CG2-CG 4.44Å; F89-L141 HydrophobicContact CE1-CD2 4.47Å; K106-L141 HydrophobicContact CG-CD2 4.49Å; V110-L141 HydrophobicContact CG1-CD2 4.41Å; V110-L141 HydrophobicContact CG2-CD2 4.33Å; L114-L141 HydrophobicContact CD1-CB 4.23Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.4Å; V137-L141 WeakPolarHBondContact O-CG 3.46Å; V137-L141 PolarHBondContact O-N 3.31Å; A138-L141 PolarHBondContact O-N 3.15Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 2.73Å; L141-R145 PolarHBondContact O-NH2 2.73Å; L141-L148 HydrophobicContact CB-CD1 4.15Å
142D98Very high97.6Very high10 Ų1053.3 Ų53.35%0.05327%0.266CS..Hα-helixtrans-62.7-38.9-179.4-173.883.9000112.1A138 D139 G144 R145 N146 I147 L148A138-D142 WeakPolarHBondContact O-CB 3.49Å; A138-D142 PolarHBondContact O-N 3.25Å; D139-D142 PolarHBondContact O-N 3.2Å; D142-G144 PolarHBondContact O-N 3.36Å; D142-G144 PolarHBondContact OD2-N 3.28Å; D142-R145 VanDerWaalsContact O-CB 3.28Å; D142-R145 WeakPolarHBondContact O-CB 3.38Å; D142-R145 WeakPolarHBondContact O-CG 3.5Å; D142-R145 PolarHBondContact O-N 3.01Å; D142-R145 VanDerWaalsContact O-N 3.11Å; D142-R145 PolarHBondContact O-NE 3.05Å; D142-R145 PolarHBondContact OD2-N 3.33Å; D142-R145 VanDerWaalsContact OD2-N 3.12Å; D142-N146 PolarHBondContact OD1-N 3.32Å; D142-N146 PolarHBondContact OD2-N 3.27Å; D142-I147 VanDerWaalsContact OD1-CG1 3.29Å; D142-I147 WeakPolarHBondContact OD1-CG1 3.41Å; D142-I147 PolarHBondContact OD1-N 2.79Å; D142-L148 HydrophobicContact CB-CB 4.28Å; D142-L148 HydrophobicContact CB-CD1 4.41Å; D142-L148 HydrophobicContact CB-CG 4.43Å; D142-L148 PolarHBondContact OD1-N 2.82Å
143N96.7Very high97.8Very high133 Ų13349.9 Ų49.971%0.71125%0.248SC*.THydrogen-bonded Turntrans52.538177.8-165.741.2000113.3D139 L141 R145D139-N143 PolarHBondContact O-N 2.87Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 2.73Å; N143-R145 VanDerWaalsContact C-N 3.27Å; N143-R145 PolarHBondContact O-N 2.86Å
144G96.7Very high97.8Very high61 Ų6153.5 Ų53.563%0.62926%0.262SS*.THydrogen-bonded Turntrans78.43.6177.700000115.1D142 N146D142-G144 PolarHBondContact O-N 3.36Å; D142-G144 PolarHBondContact OD2-N 3.28Å; G144-N146 PolarHBondContact O-N 3.12Å; G144-N146 PolarHBondContact O-ND2 2.87Å; G144-N146 VanDerWaalsContact O-ND2 3.07Å
145R97.1Very high97.8Very high72 Ų7258.6 Ų58.627%0.27229%0.285SS..SBendtrans-71-15.5177.9-66.4176.3-72.8-179.8-4.1113.1D115 L141 D142 N143 I147D115-R145 VanDerWaalsContact CG-NH1 3.26Å; D115-R145 IonicContact OD1-CZ 2.74Å; D115-R145 IonicContact OD1-NH1 3.65Å; D115-R145 PolarHBondContact OD1-NH1 2.75Å; D115-R145 IonicContact OD2-NH1 3.48Å; L141-R145 PolarHBondContact O-NH2 2.73Å; D142-R145 VanDerWaalsContact O-CB 3.28Å; D142-R145 WeakPolarHBondContact O-CB 3.38Å; D142-R145 WeakPolarHBondContact O-CG 3.5Å; D142-R145 PolarHBondContact O-N 3.01Å; D142-R145 VanDerWaalsContact O-N 3.11Å; D142-R145 PolarHBondContact O-NE 3.05Å; D142-R145 PolarHBondContact OD2-N 3.33Å; D142-R145 VanDerWaalsContact OD2-N 3.12Å; N143-R145 VanDerWaalsContact C-N 3.27Å; N143-R145 PolarHBondContact O-N 2.86Å; R145-I147 HydrophobicContact CB-CD1 4.46Å; R145-I147 HydrophobicContact CB-CG1 4.11Å; R145-I147 HydrophobicContact CB-CG2 4.08Å; R145-I147 PolarHBondContact O-N 3.24Å
146N97.1Very high97.7Very high87 Ų8761.8 Ų61.847%0.46530%0.296SS..  trans61.928-179.9-73.4-82.8000114.1D142 G144 R149D142-N146 PolarHBondContact OD1-N 3.32Å; D142-N146 PolarHBondContact OD2-N 3.27Å; G144-N146 PolarHBondContact O-N 3.12Å; G144-N146 PolarHBondContact O-ND2 2.87Å; G144-N146 VanDerWaalsContact O-ND2 3.07Å; N146-R149 HydrophobicContact CB-CG 4.5Å; N146-R149 VanDerWaalsContact CG-NH2 3.25Å; N146-R149 PolarHBondContact OD1-NE 3.23Å; N146-R149 PolarHBondContact OD1-NH2 2.81Å
147I98.3Very high97.7Very high37 Ų3760.8 Ų60.819%0.1929%0.288CS..  trans-90.6-25.3-179.458.4169.9000112.2L114 L123 D142 R145L114-I147 HydrophobicContact CB-CD1 4.03Å; L123-I147 HydrophobicContact CD1-CB 4.47Å; L123-I147 HydrophobicContact CD1-CD1 4.4Å; D142-I147 VanDerWaalsContact OD1-CG1 3.29Å; D142-I147 WeakPolarHBondContact OD1-CG1 3.41Å; D142-I147 PolarHBondContact OD1-N 2.79Å; R145-I147 HydrophobicContact CB-CD1 4.46Å; R145-I147 HydrophobicContact CB-CG1 4.11Å; R145-I147 HydrophobicContact CB-CG2 4.08Å; R145-I147 PolarHBondContact O-N 3.24Å
148L98.2Very high97.6Very high1 Ų164.5 Ų64.51%0.00531%0.311CS..  trans-105.645.1-179.5-58.9-176.4000112.5L114 L123 V125 L141 D142 R151L114-L148 HydrophobicContact CD2-CD2 4.32Å; L123-L148 HydrophobicContact CB-CD2 3.88Å; L123-L148 HydrophobicContact CD1-CD2 3.94Å; V125-L148 HydrophobicContact CG2-CB 4Å; V125-L148 HydrophobicContact CG2-CD1 3.99Å; V125-L148 HydrophobicContact CG2-CD2 4.03Å; V125-L148 HydrophobicContact CG2-CG 4.21Å; L141-L148 HydrophobicContact CB-CD1 4.15Å; D142-L148 HydrophobicContact CB-CB 4.28Å; D142-L148 HydrophobicContact CB-CD1 4.41Å; D142-L148 HydrophobicContact CB-CG 4.43Å; D142-L148 PolarHBondContact OD1-N 2.82Å; L148-R151 WeakPolarHBondContact O-CG 3.49Å; L148-R151 PolarHBondContact O-NE 3.36Å; L148-R151 PolarHBondContact O-NH2 2.77Å
149R97.1Very high97.3Very high179 Ų17969.3 Ų69.368%0.67534%0.342SS*.  trans-72.4-35.8-175.3-75.9179.5166.4178.71.8114.4N146N146-R149 HydrophobicContact CB-CG 4.5Å; N146-R149 VanDerWaalsContact CG-NH2 3.25Å; N146-R149 PolarHBondContact OD1-NE 3.23Å; N146-R149 PolarHBondContact OD1-NH2 2.81Å
150R98.3Very high96.7Very high92 Ų9266.9 Ų66.935%0.34733%0.329SS..EExtended strand (participates in β ladder)trans-88.2119.9-179.4-66.3173.867.4-163.94.1108.7V124 V125 I171V124-R150 WeakPolarHBondContact CA-O 3.33Å; V124-R150 HydrophobicContact CB-CB 4.38Å; V124-R150 HydrophobicContact CG1-CB 4.22Å; V124-R150 HydrophobicContact CG2-CB 3.86Å; V125-R150 PolarHBondContact N-O 2.78Å; R150-I171 PolarHBondContact NH2-O 2.97Å
151R98.5Very high95.7Very high52 Ų5271.6 Ų71.620%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-139134.4-171.9-52.8-177.3-177.4171-2.2111.1V125 A135 D139 L148 Y153V125-R151 HydrophobicContact CB-CB 4.36Å; V125-R151 HydrophobicContact CB-CG 4.16Å; V125-R151 HydrophobicContact CG2-CG 4.49Å; V125-R151 CarbonylContact O-C 3.53Å; V125-R151 WeakPolarHBondContact O-CA 3.36Å; A135-R151 PolarHBondContact O-NH1 2.89Å; D139-R151 IonicContact OD1-CZ 3.28Å; D139-R151 IonicContact OD1-NH1 3.84Å; D139-R151 PolarHBondContact OD1-NH1 2.75Å; D139-R151 IonicContact OD1-NH2 2.86Å; D139-R151 PolarHBondContact OD1-NH2 3.19Å; D139-R151 IonicContact OD2-NH1 2.71Å; L148-R151 WeakPolarHBondContact O-CG 3.49Å; L148-R151 PolarHBondContact O-NE 3.36Å; L148-R151 PolarHBondContact O-NH2 2.77Å; R151-Y153 HydrophobicContact CB-CE1 4.26Å; R151-Y153 HydrophobicContact CB-CE2 3.97Å; R151-Y153 WeakPolarHBondContact CB-OH 3.28Å; R151-Y153 WeakPolarHBondContact CD-OH 3.17Å
152Y98.6Very high94.8Very high50 Ų5076 Ų7620%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-128.3144.3176.7-61.8-101.7000107.8V124 V125 F126 T127 H156 I171V124-Y152 HydrophobicContact CG1-CD2 3.53Å; V124-Y152 HydrophobicContact CG1-CE2 3.66Å; V125-Y152 PolarHBondContact O-N 3.34Å; F126-Y152 WeakPolarHBondContact CA-O 3.32Å; T127-Y152 PolarHBondContact N-O 2.74Å; Y152-H156 HydrophobicContact CD1-CB 4.04Å; Y152-H156 AromaticContact CD1-CG 3.99Å; Y152-I171 HydrophobicContact CD1-CG1 4.46Å; Y152-I171 HydrophobicContact CD2-CD1 4.04Å; Y152-I171 HydrophobicContact CD2-CG1 4.11Å; Y152-I171 HydrophobicContact CE1-CG1 4.1Å; Y152-I171 HydrophobicContact CE2-CB 4.49Å; Y152-I171 HydrophobicContact CE2-CD1 4.12Å; Y152-I171 HydrophobicContact CE2-CG1 3.75Å; Y152-I171 HydrophobicContact CE2-CG2 4.22Å; Y152-I171 HydrophobicContact CG-CD1 4.43Å; Y152-I171 HydrophobicContact CG-CG1 4.46Å
153Y98.3Very high94.2Very high10 Ų1077.7 Ų77.74%0.03940%0.403CS..  trans-134.9-179.1-167.7-56-67.6000109.7T127 E131 A135 R151 Q155 H156T127-Y153 HydrophobicContact CG2-CD1 3.73Å; T127-Y153 HydrophobicContact CG2-CE1 4.38Å; T127-Y153 CarbonylContact O-C 3.5Å; T127-Y153 VanDerWaalsContact O-CA 3.25Å; T127-Y153 WeakPolarHBondContact O-CA 3.47Å; E131-Y153 HydrophobicContact CB-CD1 4.26Å; E131-Y153 HydrophobicContact CB-CD2 3.53Å; E131-Y153 HydrophobicContact CB-CE2 3.97Å; E131-Y153 HydrophobicContact CB-CG 3.69Å; E131-Y153 HydrophobicContact CG-CD2 3.54Å; E131-Y153 HydrophobicContact CG-CE2 3.45Å; E131-Y153 VanDerWaalsContact CG-CE2 3.45Å; E131-Y153 HydrophobicContact CG-CG 4.15Å; A135-Y153 WeakPolarHBondContact CA-OH 3.28Å; A135-Y153 HydrophobicContact CB-CE1 4.44Å; A135-Y153 VanDerWaalsContact CB-OH 3.3Å; A135-Y153 WeakPolarHBondContact CB-OH 2.96Å; R151-Y153 HydrophobicContact CB-CE1 4.26Å; R151-Y153 HydrophobicContact CB-CE2 3.97Å; R151-Y153 WeakPolarHBondContact CB-OH 3.28Å; R151-Y153 WeakPolarHBondContact CD-OH 3.17Å; Y153-Q155 VanDerWaalsContact CB-OE1 3.29Å; Y153-Q155 PolarHBondContact O-N 3.4Å; Y153-H156 PolarHBondContact N-ND1 3.48Å; Y153-H156 WeakPolarHBondContact O-CA 3.34Å; Y153-H156 WeakPolarHBondContact O-CB 3.5Å; Y153-H156 PolarHBondContact O-N 3.3Å; Y153-H156 PolarHBondContact O-ND1 2.86Å
154R97.1Very high94.1Very high84 Ų8475.4 Ų75.432%0.31739%0.385SS..G310 helixtrans-45.6-42.6-178.8-174.6173.4-67.5154.54.4114.8T127 A128 S129 H156 C157 Y164T127-R154 PolarHBondContact O-N 3.27Å; A128-R154 WeakPolarHBondContact O-CB 3.47Å; A128-R154 PolarHBondContact O-NE 3.42Å; A128-R154 PolarHBondContact O-NH2 3.2Å; S129-R154 WeakPolarHBondContact O-CB 3.08Å; S129-R154 PolarHBondContact O-N 2.78Å; R154-H156 PolarHBondContact O-N 2.74Å; R154-C157 WeakPolarHBondContact O-CB 3.33Å; R154-C157 PolarHBondContact O-N 3.36Å; R154-C157 VanDerWaalsContact O-N 3.07Å; R154-Y164 HydrophobicContact CG-CD1 4.21Å; R154-Y164 HydrophobicContact CG-CE1 3.69Å; R154-Y164 HydrophobicContact CG-CE2 4.25Å
155Q96.4Very high94.1Very high106 Ų10673 Ų7350%0.49536%0.358SS..G310 helixtrans-66.4-16.1-179.370.2-87.41800114.1E131 Y153E131-Q155 PolarHBondContact OE2-NE2 2.78Å; Y153-Q155 VanDerWaalsContact CB-OE1 3.29Å; Y153-Q155 PolarHBondContact O-N 3.4Å
156H97.5Very high94.1Very high87 Ų8769.7 Ų69.740%0.40335%0.345SS..G310 helixtrans-94.8-8.1176.4-53.197.3000112.5F126 Y152 Y153 R154F126-H156 HydrophobicContact CE2-CB 4.19Å; F126-H156 HydrophobicContact CZ-CB 4.39Å; Y152-H156 HydrophobicContact CD1-CB 4.04Å; Y152-H156 AromaticContact CD1-CG 3.99Å; Y153-H156 PolarHBondContact N-ND1 3.48Å; Y153-H156 WeakPolarHBondContact O-CA 3.34Å; Y153-H156 WeakPolarHBondContact O-CB 3.5Å; Y153-H156 PolarHBondContact O-N 3.3Å; Y153-H156 PolarHBondContact O-ND1 2.86Å; R154-H156 PolarHBondContact O-N 2.74Å
157C97.1Very high94.1Very high10 Ų1068.1 Ų68.17%0.06834%0.337CS..SBendtrans-80.2155.3174.2-61.30000110.9F126 R154 Y164 T165F126-C157 VanDerWaalsContact CE2-SG 3.53Å; R154-C157 WeakPolarHBondContact O-CB 3.33Å; R154-C157 PolarHBondContact O-N 3.36Å; R154-C157 VanDerWaalsContact O-N 3.07Å; C157-Y164 HydrophobicContact CB-CD1 3.73Å; C157-Y164 HydrophobicContact CB-CG 4.12Å; C157-T165 CarbonylContact C-O 3.59Å; C157-T165 VanDerWaalsContact CA-O 3.32Å; C157-T165 WeakPolarHBondContact CA-O 3.28Å; C157-T165 WeakPolarHBondContact CB-O 3.46Å
158T95.3Very high94.1Very high78 Ų7866.4 Ų66.448%0.47933%0.328SS..EExtended strand (participates in β ladder)trans-91.5122.1167.2-61.70000109.4D160 T165T158-D160 PolarHBondContact O-N 2.85Å; T158-T165 WeakPolarHBondContact CB-OG1 3.11Å; T158-T165 PolarHBondContact N-O 3.15Å; T158-T165 PolarHBondContact O-N 3.44Å; T158-T165 PolarHBondContact O-OG1 2.87Å; T158-T165 VanDerWaalsContact O-OG1 3.08Å
159P92.5Very high94.1Very high101 Ų10169 Ų6966%0.65635%0.347SS*.EExtended strand (participates in β ladder)trans-63.3128.7173.4-19.131.8000110.6
160D84.8Confident94Very high37 Ų3763.8 Ų63.820%0.19834%0.342CS..EExtended strand (participates in β ladder)trans-144.6108.3-176.4-174.433.3000110.7T158 G162 S163 T165 R189T158-D160 PolarHBondContact O-N 2.85Å; D160-G162 VanDerWaalsContact C-N 3.34Å; D160-G162 PolarHBondContact O-N 3.41Å; D160-S163 PolarHBondContact N-O 3.43Å; D160-S163 CarbonylContact O-C 3.6Å; D160-S163 WeakPolarHBondContact O-CA 3.35Å; D160-S163 WeakPolarHBondContact O-CB 3.31Å; D160-S163 PolarHBondContact O-N 3.19Å; D160-T165 HydrophobicContact CB-CG2 3.69Å; D160-R189 IonicContact OD2-CZ 3.57Å; D160-R189 IonicContact OD2-NE 3.95Å; D160-R189 IonicContact OD2-NH1 2.68Å; D160-R189 PolarHBondContact OD2-NH1 3.06Å
161Y77.7Confident93.9Very high217 Ų21760.1 Ų60.185%0.85133%0.329SS*.THydrogen-bonded Turntrans44.149.2179-61.2-78.3000115.2S163Y161-S163 PolarHBondContact O-N 2.95Å
162G79.3Confident93.8Very high92 Ų9258.6 Ų58.695%0.94833%0.326SS*.THydrogen-bonded Turntrans77.85.9-179.900000114.6D160D160-G162 VanDerWaalsContact C-N 3.34Å; D160-G162 PolarHBondContact O-N 3.41Å
163S86.6Confident93.6Very high46 Ų4661.8 Ų61.832%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-117.4178.3170.9-171.80000110.6D160 Y161D160-S163 PolarHBondContact N-O 3.43Å; D160-S163 CarbonylContact O-C 3.6Å; D160-S163 WeakPolarHBondContact O-CA 3.35Å; D160-S163 WeakPolarHBondContact O-CB 3.31Å; D160-S163 PolarHBondContact O-N 3.19Å; Y161-S163 PolarHBondContact O-N 2.95Å
164Y94.4Very high93.5Very high84 Ų8463.4 Ų63.433%0.32937%0.365SS..EExtended strand (participates in β ladder)trans-119.2126.7174.1-68.8-76.7000109.5A128 R154 C157 A187A128-Y164 HydrophobicContact CB-CD2 4.12Å; A128-Y164 HydrophobicContact CB-CG 4.26Å; R154-Y164 HydrophobicContact CG-CD1 4.21Å; R154-Y164 HydrophobicContact CG-CE1 3.69Å; R154-Y164 HydrophobicContact CG-CE2 4.25Å; C157-Y164 HydrophobicContact CB-CD1 3.73Å; C157-Y164 HydrophobicContact CB-CG 4.12Å; Y164-A187 WeakPolarHBondContact O-CA 3.31Å
165T96Very high93.5Very high10 Ų1061.3 Ų61.36%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-99.8145.8172.156.90000110.4C157 T158 D160 G186 A187 R189C157-T165 CarbonylContact C-O 3.59Å; C157-T165 VanDerWaalsContact CA-O 3.32Å; C157-T165 WeakPolarHBondContact CA-O 3.28Å; C157-T165 WeakPolarHBondContact CB-O 3.46Å; T158-T165 WeakPolarHBondContact CB-OG1 3.11Å; T158-T165 PolarHBondContact N-O 3.15Å; T158-T165 PolarHBondContact O-N 3.44Å; T158-T165 PolarHBondContact O-OG1 2.87Å; T158-T165 VanDerWaalsContact O-OG1 3.08Å; D160-T165 HydrophobicContact CB-CG2 3.69Å; T165-G186 WeakPolarHBondContact CG2-O 3.34Å; T165-A187 CarbonylContact C-O 3.57Å; T165-R189 HydrophobicContact CG2-CB 4.39Å
166K97.6Very high93.6Very high3 Ų358.8 Ų58.81%0.01335%0.35CS..  trans-109.2112.2-175.1-66.2-179.9-174.4175.60108.9D63 F126 L168 I180 D182 A187D63-K166 VanDerWaalsContact CG-NZ 3.31Å; D63-K166 IonicContact OD1-NZ 2.62Å; D63-K166 PolarHBondContact OD1-NZ 2.98Å; F126-K166 HydrophobicContact CB-CD 4.27Å; F126-K166 HydrophobicContact CD1-CB 3.69Å; F126-K166 HydrophobicContact CD1-CD 4.05Å; F126-K166 HydrophobicContact CD1-CG 3.96Å; F126-K166 HydrophobicContact CD2-CD 4.07Å; F126-K166 HydrophobicContact CD2-CG 4.01Å; F126-K166 HydrophobicContact CE1-CB 3.46Å; F126-K166 VanDerWaalsContact CE1-CB 3.46Å; F126-K166 HydrophobicContact CE1-CG 3.93Å; F126-K166 HydrophobicContact CE2-CB 4.39Å; F126-K166 HydrophobicContact CE2-CG 3.96Å; F126-K166 HydrophobicContact CG-CB 4.29Å; F126-K166 HydrophobicContact CG-CD 3.84Å; F126-K166 HydrophobicContact CG-CG 4.04Å; F126-K166 HydrophobicContact CZ-CB 3.85Å; F126-K166 HydrophobicContact CZ-CG 3.92Å; F126-K166 VanDerWaalsContact O-CE 3.29Å; F126-K166 WeakPolarHBondContact O-CE 3.43Å; F126-K166 PolarHBondContact O-NZ 3.47Å; K166-L168 PolarHBondContact O-N 2.89Å; K166-I180 HydrophobicContact CB-CD1 4.44Å; K166-I180 HydrophobicContact CD-CD1 3.65Å; K166-D182 WeakPolarHBondContact CE-OD2 3.26Å; K166-D182 IonicContact NZ-OD2 2.79Å; K166-D182 PolarHBondContact NZ-OD2 2.99Å; K166-A187 WeakPolarHBondContact CB-O 3.3Å; K166-A187 HydrophobicContact CD-CB 4.07Å; K166-A187 HydrophobicContact CG-CB 4.31Å; K166-A187 PolarHBondContact N-O 3.19Å
167D97.1Very high93.6Very high55 Ų5557.6 Ų57.629%0.29434%0.342SS..  trans-83107.9178.6-173.5-3.6000111.1S169 A170 F191D167-S169 VanDerWaalsContact C-N 3.31Å; D167-S169 VanDerWaalsContact CG-OG 3.29Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 2.97Å; D167-S169 PolarHBondContact OD1-OG 2.8Å; D167-S169 PolarHBondContact OD2-OG 3.44Å; D167-A170 HydrophobicContact CB-CB 4.31Å; D167-F191 HydrophobicContact CB-CE2 4.4Å; D167-F191 WeakPolarHBondContact OD1-CE2 3.33Å; D167-F191 WeakPolarHBondContact OD1-CZ 3.32Å
168L98.1Very high93.7Very high0 Ų057.1 Ų57.10%034%0.338CS..SBendtrans-72.4-26.6178.6-58.6-171.8000112.3V61 K166 A170 I171 C172 L175 I178 I180 F191 N194V61-L168 HydrophobicContact CB-CD2 4.45Å; V61-L168 HydrophobicContact CG2-CD2 4.08Å; K166-L168 PolarHBondContact O-N 2.89Å; L168-A170 PolarHBondContact O-N 2.78Å; L168-I171 WeakPolarHBondContact O-CB 3.33Å; L168-I171 PolarHBondContact O-N 3.48Å; L168-C172 PolarHBondContact O-N 3.24Å; L168-L175 HydrophobicContact CB-CD2 4.43Å; L168-I178 HydrophobicContact CB-CD1 4.14Å; L168-I178 HydrophobicContact CB-CG1 4.46Å; L168-I178 HydrophobicContact CB-CG2 4.43Å; L168-I180 HydrophobicContact CD1-CB 4.38Å; L168-I180 HydrophobicContact CD1-CG2 4.1Å; L168-I180 HydrophobicContact CD2-CB 4.13Å; L168-I180 HydrophobicContact CD2-CD1 4.39Å; L168-I180 HydrophobicContact CD2-CG2 4.41Å; L168-F191 HydrophobicContact CB-CD1 4.09Å; L168-F191 HydrophobicContact CB-CD2 4.24Å; L168-F191 HydrophobicContact CB-CE1 4.26Å; L168-F191 HydrophobicContact CB-CE2 4.45Å; L168-F191 HydrophobicContact CB-CG 4.08Å; L168-F191 HydrophobicContact CB-CZ 4.45Å; L168-F191 HydrophobicContact CD1-CB 3.77Å; L168-F191 HydrophobicContact CD1-CD1 4.42Å; L168-F191 HydrophobicContact CD1-CG 4.02Å; L168-F191 HydrophobicContact CG-CB 4.12Å; L168-F191 HydrophobicContact CG-CD1 4.38Å; L168-F191 HydrophobicContact CG-CD2 4.04Å; L168-F191 HydrophobicContact CG-CG 3.91Å; L168-N194 HydrophobicContact CD1-CB 3.73Å
169S97.2Very high93.8Very high57 Ų5753.4 Ų53.440%0.39932%0.316SS..THydrogen-bonded Turntrans-67.9-26.7179.9760000112.3D167 I171D167-S169 VanDerWaalsContact C-N 3.31Å; D167-S169 VanDerWaalsContact CG-OG 3.29Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 2.97Å; D167-S169 PolarHBondContact OD1-OG 2.8Å; D167-S169 PolarHBondContact OD2-OG 3.44Å; S169-I171 PolarHBondContact O-N 3.33Å
170A95.1Very high94.1Very high68 Ų6848.6 Ų48.656%0.56229%0.285SS*.THydrogen-bonded Turntrans-69-18.2172.300000113.5D167 L168D167-A170 HydrophobicContact CB-CB 4.31Å; L168-A170 PolarHBondContact O-N 2.78Å
171I97Very high94.8Very high15 Ų1546.9 Ų46.98%0.07728%0.275CS..THydrogen-bonded Turntrans-98.7-43.1-179.8-58.7175.8000110.7T59 V61 V124 F126 R150 Y152 L168 S169 I178T59-I171 HydrophobicContact CG2-CG2 4.24Å; V61-I171 HydrophobicContact CG1-CD1 4.36Å; V61-I171 HydrophobicContact CG2-CD1 4.04Å; V124-I171 HydrophobicContact CG1-CD1 4.11Å; V124-I171 HydrophobicContact CG1-CG2 4.15Å; V124-I171 HydrophobicContact CG2-CG2 3.98Å; F126-I171 HydrophobicContact CD1-CD1 3.46Å; F126-I171 VanDerWaalsContact CD1-CD1 3.46Å; F126-I171 HydrophobicContact CE1-CD1 3.87Å; F126-I171 HydrophobicContact CG-CD1 4.35Å; R150-I171 PolarHBondContact NH2-O 2.97Å; Y152-I171 HydrophobicContact CD1-CG1 4.46Å; Y152-I171 HydrophobicContact CD2-CD1 4.04Å; Y152-I171 HydrophobicContact CD2-CG1 4.11Å; Y152-I171 HydrophobicContact CE1-CG1 4.1Å; Y152-I171 HydrophobicContact CE2-CB 4.49Å; Y152-I171 HydrophobicContact CE2-CD1 4.12Å; Y152-I171 HydrophobicContact CE2-CG1 3.75Å; Y152-I171 HydrophobicContact CE2-CG2 4.22Å; Y152-I171 HydrophobicContact CG-CD1 4.43Å; Y152-I171 HydrophobicContact CG-CG1 4.46Å; L168-I171 WeakPolarHBondContact O-CB 3.33Å; L168-I171 PolarHBondContact O-N 3.48Å; S169-I171 PolarHBondContact O-N 3.33Å; I171-I178 HydrophobicContact CB-CD1 3.71Å; I171-I178 HydrophobicContact CG2-CD1 3.69Å
172C95.4Very high95.7Very high21 Ų2136.6 Ų36.614%0.14224%0.235CC..  trans-147.5122.6179.3-172.40000109.4L168 D174 I178L168-C172 PolarHBondContact O-N 3.24Å; C172-D174 VanDerWaalsContact C-N 3.29Å; C172-D174 PolarHBondContact O-N 3.4Å; C172-I178 HydrophobicContact CB-CB 3.97Å; C172-I178 HydrophobicContact CB-CD1 3.68Å; C172-I178 HydrophobicContact CB-CG1 4.42Å; C172-I178 HydrophobicContact CB-CG2 4.08Å
173S94.5Very high96.5Very high116 Ų11633.1 Ų33.181%0.81120%0.195SC*.SBendtrans-67.8-28.817953.30000113.1L175S173-L175 PolarHBondContact O-N 3.38Å
174D97.1Very high96.9Very high44 Ų4433.5 Ų33.524%0.23520%0.197CC..  trans-85.197.7176.3-176.14.6000110.9C172 N176 R177C172-D174 VanDerWaalsContact C-N 3.29Å; C172-D174 PolarHBondContact O-N 3.4Å; D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.15Å; D174-N176 WeakPolarHBondContact OD1-CB 3.48Å; D174-N176 VanDerWaalsContact OD1-CG 3.27Å; D174-N176 PolarHBondContact OD1-N 3.38Å; D174-N176 PolarHBondContact OD1-ND2 2.98Å; D174-R177 HydrophobicContact CB-CG 4.08Å; D174-R177 VanDerWaalsContact O-CG 3.25Å; D174-R177 WeakPolarHBondContact O-CG 3.41Å; D174-R177 PolarHBondContact O-N 2.94Å; D174-R177 IonicContact OD2-CZ 4Å; D174-R177 IonicContact OD2-NE 4Å; D174-R177 PolarHBondContact OD2-NE 3Å; D174-R177 IonicContact OD2-NH2 2.91Å; D174-R177 PolarHBondContact OD2-NH2 3.35Å
175L97.8Very high96.8Very high41 Ų4131.7 Ų31.722%0.21520%0.196CC..THydrogen-bonded Turntrans-68.3-8.5178.4-62.5-179000113.9L168 S173 R177 I178 F191 N194L168-L175 HydrophobicContact CB-CD2 4.43Å; S173-L175 PolarHBondContact O-N 3.38Å; L175-R177 PolarHBondContact O-N 3.43Å; L175-I178 HydrophobicContact CD2-CG2 3.86Å; L175-F191 HydrophobicContact CD1-CD1 4.29Å; L175-F191 HydrophobicContact CD1-CE1 3.94Å; L175-F191 HydrophobicContact CD2-CD1 4.12Å; L175-F191 HydrophobicContact CD2-CE1 3.86Å; L175-N194 PolarHBondContact O-ND2 2.93Å
176N97.6Very high96.6Very high53 Ų5331.9 Ų31.928%0.28320%0.2SC..THydrogen-bonded Turntrans-72.6-18.9176.6-58.8-20.9000112.2D174 D225 V226 R227D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.15Å; D174-N176 WeakPolarHBondContact OD1-CB 3.48Å; D174-N176 VanDerWaalsContact OD1-CG 3.27Å; D174-N176 PolarHBondContact OD1-N 3.38Å; D174-N176 PolarHBondContact OD1-ND2 2.98Å; N176-D225 HydrophobicContact CB-CB 4Å; N176-D225 WeakPolarHBondContact O-CA 3.21Å; N176-D225 PolarHBondContact OD1-OD2 3.11Å; N176-D225 VanDerWaalsContact OD1-OD2 3.11Å; N176-V226 PolarHBondContact O-N 3.35Å; N176-R227 PolarHBondContact OD1-NH2 3.34Å
177R97.3Very high96.5Very high61 Ų6132 Ų3223%0.2320%0.202CC..SBendtrans-121.9-0.6-170.871.717670.8-179.70.8115.1K58 T59 D174 L175K58-R177 CarbonylContact C-O 3.6Å; K58-R177 VanDerWaalsContact CA-O 3.23Å; K58-R177 WeakPolarHBondContact CA-O 3.12Å; K58-R177 WeakPolarHBondContact CB-O 3.49Å; K58-R177 HydrophobicContact CG-CB 4Å; T59-R177 PolarHBondContact N-O 3.38Å; D174-R177 HydrophobicContact CB-CG 4.08Å; D174-R177 VanDerWaalsContact O-CG 3.25Å; D174-R177 WeakPolarHBondContact O-CG 3.41Å; D174-R177 PolarHBondContact O-N 2.94Å; D174-R177 IonicContact OD2-CZ 4Å; D174-R177 IonicContact OD2-NE 4Å; D174-R177 PolarHBondContact OD2-NE 3Å; D174-R177 IonicContact OD2-NH2 2.91Å; D174-R177 PolarHBondContact OD2-NH2 3.35Å; L175-R177 PolarHBondContact O-N 3.43Å
178I98.6Very high96.4Very high0 Ų029.7 Ų29.70%019%0.189CC..EExtended strand (participates in β ladder)trans-114.4138.9179.3-175.8165.4000110.3T59 V61 L168 I171 C172 L175 N194T59-I178 HydrophobicContact CG2-CD1 3.93Å; T59-I178 HydrophobicContact CG2-CG1 4.03Å; T59-I178 WeakPolarHBondContact O-CA 3.17Å; V61-I178 HydrophobicContact CG2-CD1 3.76Å; V61-I178 HydrophobicContact CG2-CG1 3.86Å; L168-I178 HydrophobicContact CB-CD1 4.14Å; L168-I178 HydrophobicContact CB-CG1 4.46Å; L168-I178 HydrophobicContact CB-CG2 4.43Å; I171-I178 HydrophobicContact CB-CD1 3.71Å; I171-I178 HydrophobicContact CG2-CD1 3.69Å; C172-I178 HydrophobicContact CB-CB 3.97Å; C172-I178 HydrophobicContact CB-CD1 3.68Å; C172-I178 HydrophobicContact CB-CG1 4.42Å; C172-I178 HydrophobicContact CB-CG2 4.08Å; L175-I178 HydrophobicContact CD2-CG2 3.86Å; I178-N194 PolarHBondContact O-ND2 2.85Å
179F98.6Very high96.1Very high0 Ų036 Ų360%021%0.213CC..EExtended strand (participates in β ladder)trans-154161173.260.9-78.9000110.5K58 T59 L60 V61 Y121 N194 I196 L217 L220 V226 L230K58-F179 HydrophobicContact CB-CE1 4.33Å; T59-F179 PolarHBondContact O-N 3.49Å; T59-F179 VanDerWaalsContact O-N 3.16Å; L60-F179 HydrophobicContact CB-CZ 4.32Å; L60-F179 HydrophobicContact CD1-CD2 3.9Å; L60-F179 HydrophobicContact CD1-CE2 3.49Å; L60-F179 VanDerWaalsContact CD1-CE2 3.49Å; L60-F179 HydrophobicContact CD1-CZ 4.01Å; V61-F179 PolarHBondContact N-O 3.46Å; Y121-F179 HydrophobicContact CD1-CE1 4.01Å; Y121-F179 HydrophobicContact CD1-CZ 4.07Å; Y121-F179 AromaticContact CE1-CE1 3.55Å; Y121-F179 HydrophobicContact CE1-CE1 3.55Å; Y121-F179 AromaticContact CE1-CZ 3.56Å; Y121-F179 HydrophobicContact CE1-CZ 3.56Å; Y121-F179 HydrophobicContact CE2-CZ 4.4Å; Y121-F179 AromaticContact CZ-CZ 3.75Å; F179-N194 CarbonylContact C-O 3.42Å; F179-N194 WeakPolarHBondContact CA-O 3.46Å; F179-N194 WeakPolarHBondContact CB-O 3.41Å; F179-I196 HydrophobicContact CD2-CD1 3.51Å; F179-I196 HydrophobicContact CD2-CG1 4.27Å; F179-I196 HydrophobicContact CE2-CD1 3.53Å; F179-L217 HydrophobicContact CE2-CD2 3.52Å; F179-L217 HydrophobicContact CZ-CD2 3.93Å; F179-L220 HydrophobicContact CD2-CD1 4.36Å; F179-L220 HydrophobicContact CE1-CD1 4.37Å; F179-L220 HydrophobicContact CE2-CD1 3.89Å; F179-L220 HydrophobicContact CZ-CD1 3.91Å; F179-V226 HydrophobicContact CB-CG2 4.24Å; F179-V226 HydrophobicContact CD1-CB 4.33Å; F179-V226 HydrophobicContact CD1-CG1 3.88Å; F179-V226 HydrophobicContact CD1-CG2 4.31Å; F179-V226 HydrophobicContact CE1-CG1 4.19Å; F179-L230 HydrophobicContact CB-CD1 3.73Å; F179-L230 HydrophobicContact CD2-CD1 4.35Å; F179-L230 HydrophobicContact CG-CD1 4.15Å
180I98.6Very high95.9Very high1 Ų137.3 Ų37.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-122140.4-173.4-172.3171.9000111.7V61 K166 L168 D182 Y188 N194 A195 I196V61-I180 HydrophobicContact CB-CB 3.93Å; V61-I180 HydrophobicContact CB-CD1 4.41Å; V61-I180 HydrophobicContact CB-CG1 3.89Å; V61-I180 HydrophobicContact CG1-CB 4.37Å; V61-I180 HydrophobicContact CG1-CD1 3.89Å; V61-I180 HydrophobicContact CG1-CG1 3.86Å; V61-I180 CarbonylContact O-C 3.58Å; V61-I180 VanDerWaalsContact O-CA 3.32Å; V61-I180 WeakPolarHBondContact O-CA 3.44Å; K166-I180 HydrophobicContact CB-CD1 4.44Å; K166-I180 HydrophobicContact CD-CD1 3.65Å; L168-I180 HydrophobicContact CD1-CB 4.38Å; L168-I180 HydrophobicContact CD1-CG2 4.1Å; L168-I180 HydrophobicContact CD2-CB 4.13Å; L168-I180 HydrophobicContact CD2-CD1 4.39Å; L168-I180 HydrophobicContact CD2-CG2 4.41Å; I180-D182 HydrophobicContact CD1-CB 4.12Å; I180-D182 HydrophobicContact CG1-CB 4.09Å; I180-Y188 HydrophobicContact CG2-CD1 4.42Å; I180-Y188 HydrophobicContact CG2-CG 4.36Å; I180-N194 PolarHBondContact N-O 2.77Å; I180-A195 HydrophobicContact CG2-CB 3.98Å; I180-A195 CarbonylContact O-C 3.52Å; I180-A195 WeakPolarHBondContact O-CA 3.43Å; I180-I196 PolarHBondContact O-N 2.6Å
181I98.6Very high95.8Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-104.8119.6164.1-61.4168000107.7L60 V61 L62 D63 T67 F113 I196 I198 L213 L217L60-I181 HydrophobicContact CD1-CD1 3.73Å; L60-I181 HydrophobicContact CD1-CG1 3.88Å; L60-I181 HydrophobicContact CD2-CD1 4.36Å; V61-I181 PolarHBondContact O-N 2.93Å; L62-I181 HydrophobicContact CD2-CB 4.26Å; L62-I181 HydrophobicContact CD2-CD1 3.96Å; D63-I181 PolarHBondContact N-O 2.94Å; D63-I181 VanDerWaalsContact N-O 3.13Å; T67-I181 HydrophobicContact CG2-CG2 4.17Å; F113-I181 HydrophobicContact CZ-CD1 3.87Å; I181-I196 HydrophobicContact CG1-CB 4.05Å; I181-I196 HydrophobicContact CG1-CD1 4.11Å; I181-I196 HydrophobicContact CG1-CG2 4.41Å; I181-I198 HydrophobicContact CG2-CB 3.95Å; I181-I198 HydrophobicContact CG2-CD1 4.1Å; I181-I198 HydrophobicContact CG2-CG2 3.75Å; I181-L213 HydrophobicContact CD1-CD1 3.94Å; I181-L213 HydrophobicContact CG1-CD1 4.42Å; I181-L213 HydrophobicContact CG2-CD1 4.14Å; I181-L217 HydrophobicContact CD1-CD1 4.17Å; I181-L217 HydrophobicContact CD1-CD2 4.37Å
182D97.8Very high95.7Very high1 Ų137 Ų371%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-155.2141.7-174.9-163.6-52.5000110D63 K166 I180 S184 A187 Y188 I196 I198D63-D182 HydrophobicContact CB-CB 4.15Å; K166-D182 WeakPolarHBondContact CE-OD2 3.26Å; K166-D182 IonicContact NZ-OD2 2.79Å; K166-D182 PolarHBondContact NZ-OD2 2.99Å; I180-D182 HydrophobicContact CD1-CB 4.12Å; I180-D182 HydrophobicContact CG1-CB 4.09Å; D182-S184 WeakPolarHBondContact OD1-CB 3.02Å; D182-S184 PolarHBondContact OD1-N 3.06Å; D182-A187 WeakPolarHBondContact OD2-CB 3.45Å; D182-Y188 HydrophobicContact CB-CD1 3.73Å; D182-Y188 HydrophobicContact CB-CE1 3.88Å; D182-I196 PolarHBondContact N-O 2.93Å; D182-I198 PolarHBondContact O-N 2.98Å
183N96.1Very high95.7Very high20 Ų2038.9 Ų38.911%0.10722%0.22CC..SBendtrans-82.9-14-179.373.4-49000113.7E66 T67 P185 I198 S200E66-N183 VanDerWaalsContact CB-ND2 3.33Å; E66-N183 WeakPolarHBondContact CB-ND2 3.3Å; T67-N183 PolarHBondContact OG1-N 3.43Å; T67-N183 PolarHBondContact OG1-OD1 3.42Å; N183-P185 WeakPolarHBondContact O-CD 3.22Å; N183-I198 WeakPolarHBondContact CA-O 3.39Å; N183-I198 HydrophobicContact CB-CG2 4.11Å; N183-I198 WeakPolarHBondContact CB-O 3.47Å; N183-S200 PolarHBondContact ND2-OG 3.1Å
184S93.9Very high95.8Very high53 Ų5333.6 Ų33.637%0.37118%0.183SC..  trans-108.7107.7-172.4-61.80000111.1D182 G186 A187 Y188D182-S184 WeakPolarHBondContact OD1-CB 3.02Å; D182-S184 PolarHBondContact OD1-N 3.06Å; S184-G186 PolarHBondContact O-N 2.71Å; S184-G186 VanDerWaalsContact O-N 3.09Å; S184-A187 VanDerWaalsContact O-CB 3.29Å; S184-A187 WeakPolarHBondContact O-CB 3.44Å; S184-A187 PolarHBondContact O-N 3.07Å; S184-Y188 WeakPolarHBondContact O-CE1 3.46Å
185P92.6Very high95.8Very high46 Ų4631.7 Ų31.730%0.29917%0.173SC..THydrogen-bonded Turntrans-55.6-30178.1-26.834.8000115N183 A187 Y188 R189N183-P185 WeakPolarHBondContact O-CD 3.22Å; P185-A187 VanDerWaalsContact C-N 3.26Å; P185-A187 PolarHBondContact O-N 3.44Å; P185-Y188 VanDerWaalsContact CA-CZ 3.44Å; P185-Y188 HydrophobicContact CB-CE2 4.34Å; P185-R189 PolarHBondContact O-N 2.93Å
186G92.8Very high95.7Very high15 Ų1530.1 Ų30.116%0.15517%0.165CC..THydrogen-bonded Turntrans-61-32.5173.400000113.4T165 S184 Y188 R189T165-G186 WeakPolarHBondContact CG2-O 3.34Å; S184-G186 PolarHBondContact O-N 2.71Å; S184-G186 VanDerWaalsContact O-N 3.09Å; G186-Y188 PolarHBondContact O-N 2.82Å; G186-R189 WeakPolarHBondContact O-CB 3.2Å; G186-R189 PolarHBondContact O-N 2.93Å
187A95.1Very high95.6Very high6 Ų629 Ų295%0.0516%0.16CC..THydrogen-bonded Turntrans-67.2-38.5-175.700000112.4Y164 T165 K166 D182 S184 P185Y164-A187 WeakPolarHBondContact O-CA 3.31Å; T165-A187 CarbonylContact C-O 3.57Å; K166-A187 WeakPolarHBondContact CB-O 3.3Å; K166-A187 HydrophobicContact CD-CB 4.07Å; K166-A187 HydrophobicContact CG-CB 4.31Å; K166-A187 PolarHBondContact N-O 3.19Å; D182-A187 WeakPolarHBondContact OD2-CB 3.45Å; S184-A187 VanDerWaalsContact O-CB 3.29Å; S184-A187 WeakPolarHBondContact O-CB 3.44Å; S184-A187 PolarHBondContact O-N 3.07Å; P185-A187 VanDerWaalsContact C-N 3.26Å; P185-A187 PolarHBondContact O-N 3.44Å
188Y94.3Very high95.5Very high6 Ų626.6 Ų26.62%0.02415%0.152CC..THydrogen-bonded Turntrans-108.423.3-179.753.1-100.3000113I180 D182 S184 P185 G186 C190 F191 A195 H237I180-Y188 HydrophobicContact CG2-CD1 4.42Å; I180-Y188 HydrophobicContact CG2-CG 4.36Å; D182-Y188 HydrophobicContact CB-CD1 3.73Å; D182-Y188 HydrophobicContact CB-CE1 3.88Å; S184-Y188 WeakPolarHBondContact O-CE1 3.46Å; P185-Y188 VanDerWaalsContact CA-CZ 3.44Å; P185-Y188 HydrophobicContact CB-CE2 4.34Å; G186-Y188 PolarHBondContact O-N 2.82Å; Y188-C190 PolarHBondContact O-N 3.46Å; Y188-C190 VanDerWaalsContact O-N 3.11Å; Y188-F191 CarbonylContact O-C 3.2Å; Y188-F191 WeakPolarHBondContact O-CA 3.27Å; Y188-F191 PolarHBondContact O-N 3.28Å; Y188-A195 HydrophobicContact CD1-CB 3.93Å; Y188-A195 HydrophobicContact CD2-CB 3.26Å; Y188-A195 HydrophobicContact CE1-CB 4.26Å; Y188-A195 HydrophobicContact CE2-CB 3.67Å; Y188-A195 HydrophobicContact CG-CB 3.39Å; Y188-H237 AromaticContact CE2-CE1 3.64Å; Y188-H237 AromaticContact CE2-ND1 3.35Å; Y188-H237 VanDerWaalsContact CE2-ND1 3.35Å; Y188-H237 WeakPolarHBondContact CE2-ND1 3.45Å; Y188-H237 AromaticContact CZ-ND1 3.85Å
189R91.7Very high95.3Very high131 Ų13131.8 Ų31.849%0.49417%0.174SC..THydrogen-bonded Turntrans-50.9-37.9-178.2179.1-178.9-69.9177.1-5.7113.6D160 T165 P185 G186 F191 P192D160-R189 IonicContact OD2-CZ 3.57Å; D160-R189 IonicContact OD2-NE 3.95Å; D160-R189 IonicContact OD2-NH1 2.68Å; D160-R189 PolarHBondContact OD2-NH1 3.06Å; T165-R189 HydrophobicContact CG2-CB 4.39Å; P185-R189 PolarHBondContact O-N 2.93Å; G186-R189 WeakPolarHBondContact O-CB 3.2Å; G186-R189 PolarHBondContact O-N 2.93Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-P192 WeakPolarHBondContact O-CD 3.46Å
190C92.6Very high95.2Very high86 Ų8633.7 Ų33.758%0.58119%0.188SC*.THydrogen-bonded Turntrans-79.9-13.7178.9-58.90000113.5Y188 P192Y188-C190 PolarHBondContact O-N 3.46Å; Y188-C190 VanDerWaalsContact O-N 3.11Å; C190-P192 VanDerWaalsContact C-CD 3.44Å
191F95Very high95.1Very high27 Ų2734.2 Ų34.212%0.11819%0.19CC..  trans-132.448.7-174.3-60.9-84.1000112.8D167 L168 L175 Y188 R189 N193 N194 A195D167-F191 HydrophobicContact CB-CE2 4.4Å; D167-F191 WeakPolarHBondContact OD1-CE2 3.33Å; D167-F191 WeakPolarHBondContact OD1-CZ 3.32Å; L168-F191 HydrophobicContact CB-CD1 4.09Å; L168-F191 HydrophobicContact CB-CD2 4.24Å; L168-F191 HydrophobicContact CB-CE1 4.26Å; L168-F191 HydrophobicContact CB-CE2 4.45Å; L168-F191 HydrophobicContact CB-CG 4.08Å; L168-F191 HydrophobicContact CB-CZ 4.45Å; L168-F191 HydrophobicContact CD1-CB 3.77Å; L168-F191 HydrophobicContact CD1-CD1 4.42Å; L168-F191 HydrophobicContact CD1-CG 4.02Å; L168-F191 HydrophobicContact CG-CB 4.12Å; L168-F191 HydrophobicContact CG-CD1 4.38Å; L168-F191 HydrophobicContact CG-CD2 4.04Å; L168-F191 HydrophobicContact CG-CG 3.91Å; L175-F191 HydrophobicContact CD1-CD1 4.29Å; L175-F191 HydrophobicContact CD1-CE1 3.94Å; L175-F191 HydrophobicContact CD2-CD1 4.12Å; L175-F191 HydrophobicContact CD2-CE1 3.86Å; Y188-F191 CarbonylContact O-C 3.2Å; Y188-F191 WeakPolarHBondContact O-CA 3.27Å; Y188-F191 PolarHBondContact O-N 3.28Å; R189-F191 VanDerWaalsContact C-N 3.32Å; F191-N193 VanDerWaalsContact C-N 3.26Å; F191-N193 PolarHBondContact O-N 3.36Å; F191-N194 HydrophobicContact CB-CB 4.22Å; F191-N194 PolarHBondContact O-N 3.01Å; F191-A195 PolarHBondContact O-N 2.98Å
192P94Very high94.7Very high48 Ų4838.1 Ų38.131%0.31221%0.207SC..G310 helixtrans-63-33.5-173.526.8-35000112.4R189 C190 N194 A195 L234 H237R189-P192 WeakPolarHBondContact O-CD 3.46Å; C190-P192 VanDerWaalsContact C-CD 3.44Å; P192-N194 PolarHBondContact O-N 2.68Å; P192-A195 PolarHBondContact O-N 3.04Å; P192-L234 HydrophobicContact CB-CD2 4.23Å; P192-H237 PolarHBondContact O-NE2 2.92Å
193N95.4Very high94.2Very high62 Ų6240 Ų4033%0.33222%0.22SC..G310 helixtrans-73.4-9.2178.4-64.1-35.6000113.8F191 R227 L230 S231F191-N193 VanDerWaalsContact C-N 3.26Å; F191-N193 PolarHBondContact O-N 3.36Å; N193-R227 HydrophobicContact CB-CB 4.26Å; N193-R227 HydrophobicContact CB-CG 4.22Å; N193-R227 WeakPolarHBondContact O-CG 3.48Å; N193-L230 VanDerWaalsContact O-CB 3.29Å; N193-L230 WeakPolarHBondContact O-CB 3.3Å; N193-S231 WeakPolarHBondContact OD1-CB 3.48Å
194N97.4Very high93.8Very high5 Ų542.4 Ų42.43%0.02723%0.233CC..G310 helixtrans-111.815.8178.2-67.184.1000110.9L168 L175 I178 F179 I180 F191 P192 R227L168-N194 HydrophobicContact CD1-CB 3.73Å; L175-N194 PolarHBondContact O-ND2 2.93Å; I178-N194 PolarHBondContact O-ND2 2.85Å; F179-N194 CarbonylContact C-O 3.42Å; F179-N194 WeakPolarHBondContact CA-O 3.46Å; F179-N194 WeakPolarHBondContact CB-O 3.41Å; I180-N194 PolarHBondContact N-O 2.77Å; F191-N194 HydrophobicContact CB-CB 4.22Å; F191-N194 PolarHBondContact O-N 3.01Å; P192-N194 PolarHBondContact O-N 2.68Å; N194-R227 WeakPolarHBondContact ND2-CG 3.41Å; N194-R227 VanDerWaalsContact OD1-CD 3.22Å; N194-R227 WeakPolarHBondContact OD1-CD 3.29Å
195A96.4Very high93.5Very high3 Ų344.1 Ų44.13%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-114.6142.2-175.800000111.8I180 Y188 F191 P192I180-A195 HydrophobicContact CG2-CB 3.98Å; I180-A195 CarbonylContact O-C 3.52Å; I180-A195 WeakPolarHBondContact O-CA 3.43Å; Y188-A195 HydrophobicContact CD1-CB 3.93Å; Y188-A195 HydrophobicContact CD2-CB 3.26Å; Y188-A195 HydrophobicContact CE1-CB 4.26Å; Y188-A195 HydrophobicContact CE2-CB 3.67Å; Y188-A195 HydrophobicContact CG-CB 3.39Å; F191-A195 PolarHBondContact O-N 2.98Å; P192-A195 PolarHBondContact O-N 3.04Å
196I96.3Very high93.3Very high8 Ų847 Ų474%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-111.9104.1166.3-61.7165.8000106F179 I180 I181 D182 I198 L213 M216 L217 L220 L230F179-I196 HydrophobicContact CD2-CD1 3.51Å; F179-I196 HydrophobicContact CD2-CG1 4.27Å; F179-I196 HydrophobicContact CE2-CD1 3.53Å; I180-I196 PolarHBondContact O-N 2.6Å; I181-I196 HydrophobicContact CG1-CB 4.05Å; I181-I196 HydrophobicContact CG1-CD1 4.11Å; I181-I196 HydrophobicContact CG1-CG2 4.41Å; D182-I196 PolarHBondContact N-O 2.93Å; I196-I198 PolarHBondContact O-N 2.9Å; I196-L213 HydrophobicContact CG2-CD1 4.3Å; I196-L213 HydrophobicContact CG2-CD2 3.67Å; I196-M216 HydrophobicContact CD1-CE 3.43Å; I196-M216 VanDerWaalsContact CD1-CE 3.43Å; I196-M216 HydrophobicContact CD1-SD 4.02Å; I196-M216 HydrophobicContact CG1-CE 3.84Å; I196-M216 HydrophobicContact CG2-CE 3.84Å; I196-L217 HydrophobicContact CD1-CD2 3.75Å; I196-L220 HydrophobicContact CD1-CD1 4.25Å; I196-L230 HydrophobicContact CD1-CD2 4.15Å; I196-L230 HydrophobicContact CG1-CD1 4.27Å; I196-L230 HydrophobicContact CG1-CD2 3.58Å
197P95.3Very high93.3Very high30 Ų3047 Ų4720%0.19525%0.25CC..EExtended strand (participates in β ladder)trans-61136.9173-21.834.3000110.1H237P197-H237 WeakPolarHBondContact CG-CE1 3.48Å; P197-H237 VanDerWaalsContact CG-ND1 3.26Å; P197-H237 WeakPolarHBondContact CG-ND1 3.49Å
198I95.3Very high93.3Very high10 Ų1049.2 Ų49.25%0.05126%0.263CS..  trans-126.8145171.7-166.6171.7000109.8T67 R107 I181 D182 N183 I196 S200 A209 L210 L213T67-I198 HydrophobicContact CG2-CG2 4.05Å; R107-I198 VanDerWaalsContact NH1-CD1 3.35Å; I181-I198 HydrophobicContact CG2-CB 3.95Å; I181-I198 HydrophobicContact CG2-CD1 4.1Å; I181-I198 HydrophobicContact CG2-CG2 3.75Å; D182-I198 PolarHBondContact O-N 2.98Å; N183-I198 WeakPolarHBondContact CA-O 3.39Å; N183-I198 HydrophobicContact CB-CG2 4.11Å; N183-I198 WeakPolarHBondContact CB-O 3.47Å; I196-I198 PolarHBondContact O-N 2.9Å; I198-S200 PolarHBondContact O-N 2.76Å; I198-A209 HydrophobicContact CD1-CB 4.11Å; I198-A209 HydrophobicContact CG1-CB 4.06Å; I198-L210 HydrophobicContact CD1-CD2 3.67Å; I198-L210 HydrophobicContact CD1-CG 4.48Å; I198-L213 HydrophobicContact CD1-CD1 3.91Å
199K94.1Very high93.3Very high109 Ų10950 Ų5047%0.47427%0.271SS..  trans-63.9134.3175.8-175.9-175.1175.6-172.20110.1R107 W201 W240R107-K199 PolarHBondContact NH1-O 2.81Å; R107-K199 PolarHBondContact NH2-O 2.96Å; K199-W201 PolarHBondContact O-N 2.74Å; K199-W240 HydrophobicContact CB-CH2 4.49Å; K199-W240 HydrophobicContact CB-CZ3 4.14Å; K199-W240 HydrophobicContact CD-CH2 4.4Å; K199-W240 HydrophobicContact CD-CZ3 3.99Å; K199-W240 HydrophobicContact CG-CE3 4.3Å; K199-W240 HydrophobicContact CG-CH2 4.45Å; K199-W240 HydrophobicContact CG-CZ3 3.77Å
200S96Very high93.6Very high41 Ų4143.7 Ų43.729%0.28725%0.247SC..  trans-54.4130.6169.2-570000111.1E66 N183 I198E66-S200 WeakPolarHBondContact O-CA 3.39Å; N183-S200 PolarHBondContact ND2-OG 3.1Å; I198-S200 PolarHBondContact O-N 2.76Å
201W95.6Very high93.6Very high12 Ų1240.2 Ų40.25%0.04522%0.223CC..  trans-113.4137.2178.3-179.583.6000111.5E66 H70 H105 K106 R107 P108 K199 D204 D207E66-W201 WeakPolarHBondContact CA-O 3.39Å; E66-W201 PolarHBondContact O-N 3.37Å; H70-W201 HydrophobicContact CB-CE3 3.72Å; H70-W201 HydrophobicContact CB-CZ3 3.59Å; H105-W201 HydrophobicContact CB-CH2 3.76Å; H105-W201 HydrophobicContact CB-CZ3 4.07Å; H105-W201 WeakPolarHBondContact O-CZ3 3.23Å; K106-W201 WeakPolarHBondContact O-CH2 3.32Å; R107-W201 HydrophobicContact CB-CD2 3.81Å; R107-W201 HydrophobicContact CB-CE3 3.75Å; R107-W201 HydrophobicContact CB-CG 4.25Å; R107-W201 HydrophobicContact CB-CZ3 4.15Å; R107-W201 HydrophobicContact CG-CB 4.1Å; R107-W201 HydrophobicContact CG-CD2 3.72Å; R107-W201 HydrophobicContact CG-CE3 4.17Å; R107-W201 HydrophobicContact CG-CG 3.66Å; P108-W201 VanDerWaalsContact CD-CE2 3.47Å; P108-W201 HydrophobicContact CG-CZ2 4.46Å; K199-W201 PolarHBondContact O-N 2.74Å; W201-D204 PolarHBondContact NE1-O 3.17Å; W201-D207 VanDerWaalsContact CD1-CB 3.46Å
202F91.7Very high93.5Very high82 Ų8242.8 Ų42.836%0.3624%0.244SC..SBendtrans-124-55.5-177.4-60.9-77.8000111.7E66 H70 T80E66-F202 HydrophobicContact CG-CD1 4.06Å; E66-F202 HydrophobicContact CG-CE1 3.51Å; E66-F202 HydrophobicContact CG-CZ 3.98Å; H70-F202 VanDerWaalsContact CB-O 3.28Å; H70-F202 WeakPolarHBondContact CB-O 3.45Å; H70-F202 PolarHBondContact CD2-O 2.64Å; H70-F202 AromaticContact CE1-CD1 3.62Å; H70-F202 VanDerWaalsContact CG-O 3.3Å; H70-F202 AromaticContact ND1-CD1 3.72Å; T80-F202 HydrophobicContact CG2-CD1 4.32Å
203S86.6Confident93.6Very high40 Ų4041.6 Ų41.628%0.2824%0.235SC..SBendtrans-157.69.7-175.580.40000114.3T80 P205T80-S203 WeakPolarHBondContact O-CB 3.29Å; T80-S203 PolarHBondContact O-OG 3.23Å; T80-S203 VanDerWaalsContact O-OG 3.14Å; S203-P205 WeakPolarHBondContact O-CD 3.36Å
204D88.1Confident93.6Very high71 Ų7138.6 Ų38.638%0.3822%0.219SC..  trans-74111.4-175.3-177.63.1000109.6P108 W201 M206 D207P108-D204 WeakPolarHBondContact CG-O 3.25Å; W201-D204 PolarHBondContact NE1-O 3.17Å; D204-M206 PolarHBondContact O-N 2.62Å; D204-M206 PolarHBondContact OD1-N 2.77Å; D204-D207 HydrophobicContact CB-CB 4.33Å; D204-D207 WeakPolarHBondContact O-CB 3.34Å; D204-D207 PolarHBondContact O-N 2.87Å
205P87.4Confident93.4Very high88 Ų8841.7 Ų41.757%0.57124%0.239SC*.THydrogen-bonded Turntrans-72-15.9-179.332.2-36.2000112.6S203S203-P205 WeakPolarHBondContact O-CD 3.36Å
206M89.1Confident93.3Very high108 Ų10843.9 Ų43.953%0.53225%0.249SC..THydrogen-bonded Turntrans-95.75.7179.7-56.4-67.39700112.4Y34 D204 T208Y34-M206 HydrophobicContact CD2-SD 4.22Å; D204-M206 PolarHBondContact O-N 2.62Å; D204-M206 PolarHBondContact OD1-N 2.77Å; M206-T208 PolarHBondContact O-N 3.09Å
207D92.7Very high93.3Very high13 Ų1343.5 Ų43.57%0.0725%0.247CC..  trans-60.6129.1176.5-176.6-77.3000110.6R107 P108 W201 D204 A209R107-D207 IonicContact CZ-OD1 3.62Å; R107-D207 IonicContact CZ-OD2 2.66Å; R107-D207 IonicContact NE-OD1 3.66Å; R107-D207 PolarHBondContact NE-OD1 3.05Å; R107-D207 IonicContact NE-OD2 3.73Å; R107-D207 IonicContact NH2-OD1 2.64Å; R107-D207 PolarHBondContact NH2-OD1 2.99Å; R107-D207 IonicContact NH2-OD2 3.14Å; R107-D207 PolarHBondContact NH2-OD2 3.28Å; P108-D207 WeakPolarHBondContact CB-O 3.33Å; P108-D207 HydrophobicContact CG-CB 4.22Å; W201-D207 VanDerWaalsContact CD1-CB 3.46Å; D204-D207 HydrophobicContact CB-CB 4.33Å; D204-D207 WeakPolarHBondContact O-CB 3.34Å; D204-D207 PolarHBondContact O-N 2.87Å; D207-A209 WeakPolarHBondContact OD1-CB 3.36Å; D207-A209 PolarHBondContact OD1-N 3.1Å
208T94.1Very high93.3Very high53 Ų5343.5 Ų43.533%0.32525%0.246SC..  trans-118.811.3178.5540000112.4M206 L210 L211 S212M206-T208 PolarHBondContact O-N 3.09Å; T208-L210 VanDerWaalsContact C-N 3.32Å; T208-L210 PolarHBondContact O-N 2.89Å; T208-L211 WeakPolarHBondContact O-CB 3.33Å; T208-L211 PolarHBondContact O-N 2.87Å; T208-S212 PolarHBondContact O-N 3.22Å; T208-S212 PolarHBondContact O-OG 3.23Å
209A95.1Very high93.3Very high22 Ų2245.9 Ų45.918%0.18227%0.267CS..Hα-helixtrans-59.8-41.7-167.800000112.3I198 D207 L211 S212 L213I198-A209 HydrophobicContact CD1-CB 4.11Å; I198-A209 HydrophobicContact CG1-CB 4.06Å; D207-A209 WeakPolarHBondContact OD1-CB 3.36Å; D207-A209 PolarHBondContact OD1-N 3.1Å; A209-L211 PolarHBondContact O-N 3.3Å; A209-S212 PolarHBondContact O-N 2.79Å; A209-L213 WeakPolarHBondContact O-CG 3.16Å; A209-L213 PolarHBondContact O-N 3Å
210L96.5Very high93.4Very high0 Ų040.8 Ų40.80%025%0.245CC..Hα-helixtrans-62.7-40.6176.3-65.9180000112.2L68 R107 V110 F113 I198 T208 L213L68-L210 HydrophobicContact CD2-CD1 4.2Å; L68-L210 HydrophobicContact CD2-CD2 3.98Å; R107-L210 HydrophobicContact CB-CD1 4.14Å; R107-L210 HydrophobicContact CG-CD1 4.02Å; R107-L210 HydrophobicContact CG-CG 4.39Å; V110-L210 HydrophobicContact CB-CD1 3.96Å; V110-L210 HydrophobicContact CG2-CD1 4.29Å; F113-L210 HydrophobicContact CB-CB 4.17Å; F113-L210 HydrophobicContact CB-CD1 4.45Å; F113-L210 HydrophobicContact CD1-CD2 4.38Å; F113-L210 HydrophobicContact CD2-CB 3.93Å; F113-L210 HydrophobicContact CD2-CD2 4.44Å; F113-L210 VanDerWaalsContact CD2-O 3.3Å; F113-L210 WeakPolarHBondContact CD2-O 3.5Å; F113-L210 HydrophobicContact CE1-CD2 4.39Å; F113-L210 HydrophobicContact CE2-CD2 4.43Å; F113-L210 HydrophobicContact CG-CB 4.06Å; F113-L210 HydrophobicContact CG-CD2 4.4Å; F113-L210 HydrophobicContact CZ-CD2 4.41Å; I198-L210 HydrophobicContact CD1-CD2 3.67Å; I198-L210 HydrophobicContact CD1-CG 4.48Å; T208-L210 VanDerWaalsContact C-N 3.32Å; T208-L210 PolarHBondContact O-N 2.89Å; L210-L213 PolarHBondContact O-N 3.41Å
211L93.9Very high93.4Very high13 Ų1340.5 Ų40.57%0.06824%0.238CC..Hα-helixtrans-66-43.1176.1-70.4-179.4000111.7P36 V37 H109 Y112 T208 A209 L213 L214P36-L211 HydrophobicContact CB-CD1 4.45Å; V37-L211 WeakPolarHBondContact O-CD1 3.41Å; H109-L211 HydrophobicContact CB-CD1 4.17Å; H109-L211 HydrophobicContact CB-CD2 3.74Å; H109-L211 HydrophobicContact CB-CG 3.64Å; H109-L211 WeakPolarHBondContact CD2-CD1 3.35Å; H109-L211 VanDerWaalsContact CG-CD1 3.4Å; H109-L211 VanDerWaalsContact CG-CG 3.43Å; H109-L211 WeakPolarHBondContact NE2-CD1 3.23Å; Y112-L211 HydrophobicContact CD1-CD2 3.59Å; Y112-L211 HydrophobicContact CE1-CD2 3.76Å; T208-L211 WeakPolarHBondContact O-CB 3.33Å; T208-L211 PolarHBondContact O-N 2.87Å; A209-L211 PolarHBondContact O-N 3.3Å; L211-L213 PolarHBondContact O-N 3.18Å; L211-L213 VanDerWaalsContact O-N 3.17Å; L211-L214 HydrophobicContact CD2-CD1 4.01Å; L211-L214 WeakPolarHBondContact O-CB 3.4Å; L211-L214 PolarHBondContact O-N 3.36Å
212S92.9Very high93.5Very high81 Ų8143 Ų4357%0.56625%0.249SC*.Hα-helixtrans-62.9-21-179.3-620000113.2T208 A209T208-S212 PolarHBondContact O-N 3.22Å; T208-S212 PolarHBondContact O-OG 3.23Å; A209-S212 PolarHBondContact O-N 2.79Å
213L95.4Very high93.7Very high22 Ų2240.1 Ų40.112%0.11524%0.238CC..Hα-helixtrans-77.4-25.1174.8-68.8179.9000113.4I181 I196 I198 A209 L210 L211 M216 L217I181-L213 HydrophobicContact CD1-CD1 3.94Å; I181-L213 HydrophobicContact CG1-CD1 4.42Å; I181-L213 HydrophobicContact CG2-CD1 4.14Å; I196-L213 HydrophobicContact CG2-CD1 4.3Å; I196-L213 HydrophobicContact CG2-CD2 3.67Å; I198-L213 HydrophobicContact CD1-CD1 3.91Å; A209-L213 WeakPolarHBondContact O-CG 3.16Å; A209-L213 PolarHBondContact O-N 3Å; L210-L213 PolarHBondContact O-N 3.41Å; L211-L213 PolarHBondContact O-N 3.18Å; L211-L213 VanDerWaalsContact O-N 3.17Å; L213-M216 HydrophobicContact CD2-CE 3.94Å; L213-M216 PolarHBondContact O-N 3.48Å; L213-M216 VanDerWaalsContact O-N 3.14Å; L213-L217 HydrophobicContact CB-CD1 4.01Å; L213-L217 HydrophobicContact CB-CG 4.26Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.41Å
214L95.9Very high94.1Very high0 Ų044.7 Ų44.70%026%0.259CS..Hα-helixtrans-55.6-44.8-171.9-65.9176.2000114.5Y39 Y112 F113 V116 V117 W120 L211 M216 L217 D218Y39-L214 HydrophobicContact CD1-CB 4.22Å; Y39-L214 HydrophobicContact CD2-CB 3.67Å; Y39-L214 HydrophobicContact CE2-CB 4.11Å; Y39-L214 HydrophobicContact CG-CB 3.73Å; Y39-L214 HydrophobicContact CG-CD1 3.97Å; Y39-L214 HydrophobicContact CG-CG 4.5Å; Y112-L214 HydrophobicContact CD1-CD1 4.35Å; Y112-L214 HydrophobicContact CE1-CD1 3.8Å; F113-L214 HydrophobicContact CD2-CD2 3.73Å; F113-L214 HydrophobicContact CD2-CG 4.37Å; F113-L214 HydrophobicContact CE2-CD2 4.13Å; V116-L214 HydrophobicContact CB-CD2 4.19Å; V116-L214 HydrophobicContact CG1-CD2 3.86Å; V117-L214 HydrophobicContact CG1-CD2 3.86Å; W120-L214 HydrophobicContact CH2-CD2 4.4Å; W120-L214 HydrophobicContact CZ3-CD2 4.08Å; L211-L214 HydrophobicContact CD2-CD1 4.01Å; L211-L214 WeakPolarHBondContact O-CB 3.4Å; L211-L214 PolarHBondContact O-N 3.36Å; L214-M216 VanDerWaalsContact C-N 3.33Å; L214-M216 PolarHBondContact O-N 2.93Å; L214-L217 PolarHBondContact O-N 2.93Å; L214-D218 WeakPolarHBondContact O-CB 3.5Å; L214-D218 PolarHBondContact O-N 2.91Å
215P93.7Very high94.5Very high70 Ų7043 Ų4346%0.45525%0.25SS..Hα-helixtrans-60.6-40.7178.3-18.827.7000113.3Y39 D218 A219Y39-P215 HydrophobicContact CD2-CG 4.08Å; Y39-P215 HydrophobicContact CE2-CB 3.9Å; Y39-P215 HydrophobicContact CE2-CG 3.66Å; P215-D218 PolarHBondContact O-N 2.73Å; P215-A219 PolarHBondContact O-N 3.46Å; P215-A219 VanDerWaalsContact O-N 3.09Å
216M93.7Very high95Very high49 Ų4938.9 Ų38.924%0.24122%0.223CC..Hα-helixtrans-72.4-40.5179.3-178.3-88.7-65.700111.1I196 L213 L214 D218 A219 L220 L230I196-M216 HydrophobicContact CD1-CE 3.43Å; I196-M216 VanDerWaalsContact CD1-CE 3.43Å; I196-M216 HydrophobicContact CD1-SD 4.02Å; I196-M216 HydrophobicContact CG1-CE 3.84Å; I196-M216 HydrophobicContact CG2-CE 3.84Å; L213-M216 HydrophobicContact CD2-CE 3.94Å; L213-M216 PolarHBondContact O-N 3.48Å; L213-M216 VanDerWaalsContact O-N 3.14Å; L214-M216 VanDerWaalsContact C-N 3.33Å; L214-M216 PolarHBondContact O-N 2.93Å; M216-D218 VanDerWaalsContact C-N 3.29Å; M216-D218 PolarHBondContact O-N 3.35Å; M216-A219 PolarHBondContact O-N 2.73Å; M216-L220 WeakPolarHBondContact O-CG 3.04Å; M216-L220 PolarHBondContact O-N 2.86Å; M216-L220 HydrophobicContact SD-CD1 3.43Å; M216-L220 WeakPolarHBondContact SD-CD1 3.34Å; M216-L220 HydrophobicContact SD-CG 3.81Å; M216-L230 HydrophobicContact SD-CD2 4.25Å
217L96.9Very high95.3Very high0 Ų037.3 Ų37.30%021%0.211CC..Hα-helixtrans-62.8-35.2172.7-66.5178.8000111.7F113 V117 W120 Y121 F179 I181 I196 L213 L214 L220F113-L217 HydrophobicContact CE2-CD1 3.58Å; F113-L217 HydrophobicContact CZ-CD1 3.87Å; V117-L217 HydrophobicContact CG1-CD1 3.78Å; W120-L217 HydrophobicContact CE3-CB 4.38Å; W120-L217 HydrophobicContact CZ3-CB 4.1Å; Y121-L217 HydrophobicContact CE2-CB 4.2Å; Y121-L217 PolarHBondContact OH-O 2.77Å; F179-L217 HydrophobicContact CE2-CD2 3.52Å; F179-L217 HydrophobicContact CZ-CD2 3.93Å; I181-L217 HydrophobicContact CD1-CD1 4.17Å; I181-L217 HydrophobicContact CD1-CD2 4.37Å; I196-L217 HydrophobicContact CD1-CD2 3.75Å; L213-L217 HydrophobicContact CB-CD1 4.01Å; L213-L217 HydrophobicContact CB-CG 4.26Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.41Å; L214-L217 PolarHBondContact O-N 2.93Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å
218D95.4Very high95.4Very high29 Ų2939.3 Ų39.316%0.15523%0.226CC..Hα-helixtrans-66.5-45.3174.5-165.15.2000111Y39 W120 L214 P215 M216 L220 R221Y39-D218 HydrophobicContact CE1-CB 4.3Å; Y39-D218 WeakPolarHBondContact OH-CB 3.34Å; Y39-D218 VanDerWaalsContact OH-CG 3.3Å; Y39-D218 PolarHBondContact OH-OD2 3.15Å; W120-D218 HydrophobicContact CH2-CB 3.75Å; W120-D218 HydrophobicContact CZ2-CB 4.16Å; W120-D218 HydrophobicContact CZ3-CB 4.07Å; L214-D218 WeakPolarHBondContact O-CB 3.5Å; L214-D218 PolarHBondContact O-N 2.91Å; P215-D218 PolarHBondContact O-N 2.73Å; M216-D218 VanDerWaalsContact C-N 3.29Å; M216-D218 PolarHBondContact O-N 3.35Å; D218-L220 VanDerWaalsContact C-N 3.35Å; D218-L220 PolarHBondContact O-N 2.76Å; D218-R221 VanDerWaalsContact O-CB 3.25Å; D218-R221 WeakPolarHBondContact O-CB 3.36Å; D218-R221 VanDerWaalsContact O-CD 3.25Å; D218-R221 WeakPolarHBondContact O-CD 3.49Å; D218-R221 VanDerWaalsContact O-CG 3.27Å; D218-R221 WeakPolarHBondContact O-CG 3.5Å; D218-R221 PolarHBondContact O-N 3.33Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.33Å; D218-R221 IonicContact OD1-CZ 2.73Å; D218-R221 IonicContact OD1-NE 2.79Å; D218-R221 IonicContact OD1-NH1 3.44Å; D218-R221 PolarHBondContact OD1-NH1 2.78Å
219A94.3Very high95.4Very high61 Ų6139 Ų3950%0.50422%0.224SC..Hα-helixtrans-60.9-40.3177.200000113P215 M216 R221 F222P215-A219 PolarHBondContact O-N 3.46Å; P215-A219 VanDerWaalsContact O-N 3.09Å; M216-A219 PolarHBondContact O-N 2.73Å; A219-R221 PolarHBondContact O-N 2.97Å; A219-R221 VanDerWaalsContact O-N 3.13Å; A219-F222 PolarHBondContact O-N 3.3Å
220L96.8Very high95.3Very high1 Ų138.1 Ų38.11%0.00522%0.217CC..Hα-helixtrans-59.6-25.4-179.9-81.2-178.2000113.3K58 Y121 F179 I196 M216 L217 D218 F222 T223 V226 V229 L230K58-L220 WeakPolarHBondContact CD-O 3.47Å; K58-L220 WeakPolarHBondContact CE-O 3.36Å; K58-L220 PolarHBondContact NZ-O 3.35Å; Y121-L220 VanDerWaalsContact OH-CB 3.31Å; Y121-L220 WeakPolarHBondContact OH-CB 3.31Å; F179-L220 HydrophobicContact CD2-CD1 4.36Å; F179-L220 HydrophobicContact CE1-CD1 4.37Å; F179-L220 HydrophobicContact CE2-CD1 3.89Å; F179-L220 HydrophobicContact CZ-CD1 3.91Å; I196-L220 HydrophobicContact CD1-CD1 4.25Å; M216-L220 WeakPolarHBondContact O-CG 3.04Å; M216-L220 PolarHBondContact O-N 2.86Å; M216-L220 HydrophobicContact SD-CD1 3.43Å; M216-L220 WeakPolarHBondContact SD-CD1 3.34Å; M216-L220 HydrophobicContact SD-CG 3.81Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å; D218-L220 VanDerWaalsContact C-N 3.35Å; D218-L220 PolarHBondContact O-N 2.76Å; L220-F222 PolarHBondContact O-N 3.05Å; L220-F222 VanDerWaalsContact O-N 3.13Å; L220-T223 HydrophobicContact CD2-CG2 4.21Å; L220-T223 PolarHBondContact O-N 2.65Å; L220-T223 VanDerWaalsContact O-N 3.13Å; L220-T223 PolarHBondContact O-OG1 2.86Å; L220-V226 HydrophobicContact CD2-CB 4.31Å; L220-V226 HydrophobicContact CD2-CG1 4.41Å; L220-V229 HydrophobicContact CD2-CB 3.86Å; L220-V229 HydrophobicContact CD2-CG1 4.07Å; L220-V229 HydrophobicContact CD2-CG2 4.22Å; L220-L230 HydrophobicContact CD1-CD2 4.12Å; L220-L230 HydrophobicContact CD1-CG 4.47Å; L220-L230 HydrophobicContact CD2-CG 4.49Å
221R96.4Very high95Very high36 Ų3640.3 Ų40.314%0.13623%0.232CC..THydrogen-bonded Turntrans-52.5-38.2177.3-64163.964.8-164.74111.8L52 V55 K58 W120 Y121 D218 A219L52-R221 HydrophobicContact CD1-CB 3.85Å; L52-R221 VanDerWaalsContact CD2-NH2 3.3Å; V55-R221 WeakPolarHBondContact CG2-O 3.3Å; K58-R221 PolarHBondContact NZ-O 2.58Å; W120-R221 HydrophobicContact CB-CG 4.08Å; W120-R221 HydrophobicContact CG-CG 4.38Å; Y121-R221 HydrophobicContact CE2-CG 4.3Å; Y121-R221 PolarHBondContact OH-N 2.88Å; D218-R221 VanDerWaalsContact O-CB 3.25Å; D218-R221 WeakPolarHBondContact O-CB 3.36Å; D218-R221 VanDerWaalsContact O-CD 3.25Å; D218-R221 WeakPolarHBondContact O-CD 3.49Å; D218-R221 VanDerWaalsContact O-CG 3.27Å; D218-R221 WeakPolarHBondContact O-CG 3.5Å; D218-R221 PolarHBondContact O-N 3.33Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.33Å; D218-R221 IonicContact OD1-CZ 2.73Å; D218-R221 IonicContact OD1-NE 2.79Å; D218-R221 IonicContact OD1-NH1 3.44Å; D218-R221 PolarHBondContact OD1-NH1 2.78Å; A219-R221 PolarHBondContact O-N 2.97Å; A219-R221 VanDerWaalsContact O-N 3.13Å
222F96Very high94.5Very high65 Ų6548.4 Ų48.429%0.28526%0.262SS..THydrogen-bonded Turntrans-87.5-3.2-173.3-60.2-87.7000114.6L44 S48 R51 L52 A219 L220L44-F222 HydrophobicContact CD1-CZ 4.14Å; L44-F222 HydrophobicContact CD2-CZ 3.82Å; S48-F222 WeakPolarHBondContact O-CE1 3.45Å; R51-F222 HydrophobicContact CB-CD1 4.39Å; L52-F222 HydrophobicContact CB-CD1 4.22Å; L52-F222 HydrophobicContact CB-CE1 3.82Å; L52-F222 HydrophobicContact CD1-CD1 4.32Å; L52-F222 HydrophobicContact CD1-CE1 4.3Å; A219-F222 PolarHBondContact O-N 3.3Å; L220-F222 PolarHBondContact O-N 3.05Å; L220-F222 VanDerWaalsContact O-N 3.13Å
223T95.9Very high93.4Very high21 Ų2147.8 Ų47.813%0.12925%0.252CS..  trans-80146.6-178.160.80000111.6K58 L220 V229K58-T223 WeakPolarHBondContact CE-O 3.35Å; K58-T223 VanDerWaalsContact CE-OG1 3.28Å; K58-T223 WeakPolarHBondContact CE-OG1 3.42Å; K58-T223 PolarHBondContact NZ-O 3.41Å; L220-T223 HydrophobicContact CD2-CG2 4.21Å; L220-T223 PolarHBondContact O-N 2.65Å; L220-T223 VanDerWaalsContact O-N 3.13Å; L220-T223 PolarHBondContact O-OG1 2.86Å; T223-V229 HydrophobicContact CG2-CG2 3.73Å
224N95.6Very high91.9Very high136 Ų13650 Ų5073%0.72726%0.264SS*.SBendtrans-76-40.2169.5-74.5-25000111.3V55V55-N224 WeakPolarHBondContact CG1-OD1 3.19Å
225D97Very high90.3Very high36 Ų3655.4 Ų55.419%0.19329%0.288CS..  trans-130.9116.2175.9-177.1-12.2000109.1N176 R227 S228N176-D225 HydrophobicContact CB-CB 4Å; N176-D225 WeakPolarHBondContact O-CA 3.21Å; N176-D225 PolarHBondContact OD1-OD2 3.11Å; N176-D225 VanDerWaalsContact OD1-OD2 3.11Å; D225-R227 PolarHBondContact O-N 3.27Å; D225-R227 WeakPolarHBondContact OD1-CB 3.23Å; D225-R227 VanDerWaalsContact OD1-CG 3.27Å; D225-R227 WeakPolarHBondContact OD1-CG 3.2Å; D225-R227 IonicContact OD1-CZ 3.9Å; D225-R227 PolarHBondContact OD1-N 3.12Å; D225-R227 IonicContact OD1-NE 2.99Å; D225-R227 PolarHBondContact OD1-NE 2.84Å; D225-R227 IonicContact OD1-NH2 3.96Å; D225-R227 IonicContact OD2-CZ 3.33Å; D225-R227 IonicContact OD2-NE 3.06Å; D225-R227 PolarHBondContact OD2-NE 3.23Å; D225-R227 IonicContact OD2-NH2 2.76Å; D225-R227 PolarHBondContact OD2-NH2 3.06Å; D225-S228 VanDerWaalsContact O-CB 3.31Å; D225-S228 WeakPolarHBondContact O-CB 3.34Å; D225-S228 PolarHBondContact O-N 3.07Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.83Å
226V97.1Very high88.6Confident0 Ų055 Ų550%028%0.282CS..THydrogen-bonded Turntrans-58.6-30.3179.3-63.60000112.3K58 N176 F179 L220 S228 V229 L230K58-V226 HydrophobicContact CD-CG1 3.56Å; K58-V226 HydrophobicContact CG-CG1 4.47Å; N176-V226 PolarHBondContact O-N 3.35Å; F179-V226 HydrophobicContact CB-CG2 4.24Å; F179-V226 HydrophobicContact CD1-CB 4.33Å; F179-V226 HydrophobicContact CD1-CG1 3.88Å; F179-V226 HydrophobicContact CD1-CG2 4.31Å; F179-V226 HydrophobicContact CE1-CG1 4.19Å; L220-V226 HydrophobicContact CD2-CB 4.31Å; L220-V226 HydrophobicContact CD2-CG1 4.41Å; V226-S228 PolarHBondContact O-N 2.8Å; V226-V229 PolarHBondContact O-N 3Å; V226-V229 VanDerWaalsContact O-N 3.09Å; V226-L230 HydrophobicContact CB-CD1 4.21Å; V226-L230 HydrophobicContact CG2-CD1 4.3Å; V226-L230 WeakPolarHBondContact O-CG 3.28Å; V226-L230 PolarHBondContact O-N 3.35Å
227R96.1Very high86.9Confident75 Ų7554.2 Ų54.228%0.28328%0.278SS..Hα-helixtrans-67.4-25.7-178.7-54.5172.8-621797.4111.6N176 N193 N194 D225 V229 S231N176-R227 PolarHBondContact OD1-NH2 3.34Å; N193-R227 HydrophobicContact CB-CB 4.26Å; N193-R227 HydrophobicContact CB-CG 4.22Å; N193-R227 WeakPolarHBondContact O-CG 3.48Å; N194-R227 WeakPolarHBondContact ND2-CG 3.41Å; N194-R227 VanDerWaalsContact OD1-CD 3.22Å; N194-R227 WeakPolarHBondContact OD1-CD 3.29Å; D225-R227 PolarHBondContact O-N 3.27Å; D225-R227 WeakPolarHBondContact OD1-CB 3.23Å; D225-R227 VanDerWaalsContact OD1-CG 3.27Å; D225-R227 WeakPolarHBondContact OD1-CG 3.2Å; D225-R227 IonicContact OD1-CZ 3.9Å; D225-R227 PolarHBondContact OD1-N 3.12Å; D225-R227 IonicContact OD1-NE 2.99Å; D225-R227 PolarHBondContact OD1-NE 2.84Å; D225-R227 IonicContact OD1-NH2 3.96Å; D225-R227 IonicContact OD2-CZ 3.33Å; D225-R227 IonicContact OD2-NE 3.06Å; D225-R227 PolarHBondContact OD2-NE 3.23Å; D225-R227 IonicContact OD2-NH2 2.76Å; D225-R227 PolarHBondContact OD2-NH2 3.06Å; R227-V229 PolarHBondContact O-N 2.86Å; R227-S231 WeakPolarHBondContact O-CB 3.19Å; R227-S231 PolarHBondContact O-N 2.71Å; R227-S231 PolarHBondContact O-OG 2.93Å
228S94.8Very high84.9Confident55 Ų5565.1 Ų65.139%0.38532%0.319SS..Hα-helixtrans-61.1-23.1174.571.30000113.1D225 V226 R232D225-S228 VanDerWaalsContact O-CB 3.31Å; D225-S228 WeakPolarHBondContact O-CB 3.34Å; D225-S228 PolarHBondContact O-N 3.07Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.83Å; V226-S228 PolarHBondContact O-N 2.8Å; S228-R232 PolarHBondContact O-NE 3.22Å
229V94Very high82.6Confident46 Ų4669.3 Ų69.328%0.27934%0.341SS..Hα-helixtrans-100.7-52.4174.4179.10000110.2L220 T223 V226 R227 S231 R232L220-V229 HydrophobicContact CD2-CB 3.86Å; L220-V229 HydrophobicContact CD2-CG1 4.07Å; L220-V229 HydrophobicContact CD2-CG2 4.22Å; T223-V229 HydrophobicContact CG2-CG2 3.73Å; V226-V229 PolarHBondContact O-N 3Å; V226-V229 VanDerWaalsContact O-N 3.09Å; R227-V229 PolarHBondContact O-N 2.86Å; V229-S231 PolarHBondContact O-N 3.2Å; V229-R232 WeakPolarHBondContact O-CB 3.14Å; V229-R232 PolarHBondContact O-N 3Å; V229-R232 VanDerWaalsContact O-N 3.17Å
230L93.9Very high80.1Confident5 Ų575.5 Ų75.53%0.02635%0.351CS..Hα-helixtrans-65.2-35.8-171.2-66.2-178.3000113.6F179 N193 I196 M216 L220 V226 R232 N233F179-L230 HydrophobicContact CB-CD1 3.73Å; F179-L230 HydrophobicContact CD2-CD1 4.35Å; F179-L230 HydrophobicContact CG-CD1 4.15Å; N193-L230 VanDerWaalsContact O-CB 3.29Å; N193-L230 WeakPolarHBondContact O-CB 3.3Å; I196-L230 HydrophobicContact CD1-CD2 4.15Å; I196-L230 HydrophobicContact CG1-CD1 4.27Å; I196-L230 HydrophobicContact CG1-CD2 3.58Å; M216-L230 HydrophobicContact SD-CD2 4.25Å; L220-L230 HydrophobicContact CD1-CD2 4.12Å; L220-L230 HydrophobicContact CD1-CG 4.47Å; L220-L230 HydrophobicContact CD2-CG 4.49Å; V226-L230 HydrophobicContact CB-CD1 4.21Å; V226-L230 HydrophobicContact CG2-CD1 4.3Å; V226-L230 WeakPolarHBondContact O-CG 3.28Å; V226-L230 PolarHBondContact O-N 3.35Å; L230-R232 PolarHBondContact O-N 3.44Å; L230-N233 PolarHBondContact O-N 3.44Å; L230-N233 VanDerWaalsContact O-N 3.07Å
231S89.4Confident79.3Confident45 Ų4579.3 Ų79.332%0.31537%0.369SS..G310 helixtrans-63.6-12.9177.463.50000114.2N193 R227 V229 N233 L234N193-S231 WeakPolarHBondContact OD1-CB 3.48Å; R227-S231 WeakPolarHBondContact O-CB 3.19Å; R227-S231 PolarHBondContact O-N 2.71Å; R227-S231 PolarHBondContact O-OG 2.93Å; V229-S231 PolarHBondContact O-N 3.2Å; S231-N233 VanDerWaalsContact C-N 3.33Å; S231-L234 VanDerWaalsContact O-CD1 3.24Å; S231-L234 WeakPolarHBondContact O-CD1 3.5Å; S231-L234 WeakPolarHBondContact O-CG 3.08Å
232R84.2Confident78.4Confident184 Ų18481.5 Ų81.569%0.69438%0.381SS*.G310 helixtrans-79.8-18.5176.7-60.9-178.8177.6146.41.6112.7S228 V229 L230 L234S228-R232 PolarHBondContact O-NE 3.22Å; V229-R232 WeakPolarHBondContact O-CB 3.14Å; V229-R232 PolarHBondContact O-N 3Å; V229-R232 VanDerWaalsContact O-N 3.17Å; L230-R232 PolarHBondContact O-N 3.44Å; R232-L234 VanDerWaalsContact C-N 3.34Å
233N68.4Low77.4Confident68 Ų6882.4 Ų82.436%0.36439%0.386SS..G310 helixtrans-94.815.7-177.4-73.7-18.7000113.3L230 S231 H235 L236L230-N233 PolarHBondContact O-N 3.44Å; L230-N233 VanDerWaalsContact O-N 3.07Å; S231-N233 VanDerWaalsContact C-N 3.33Å; N233-H235 PolarHBondContact O-N 3.32Å; N233-L236 HydrophobicContact CB-CD1 4.39Å; N233-L236 WeakPolarHBondContact O-CB 3.36Å; N233-L236 PolarHBondContact O-N 3.18Å
234L63.8Low76.3Confident69 Ų6986.1 Ų86.136%0.36140%0.401SS..G310 helixtrans-61.3-20.9-171.1-72.9169.6000114.9P192 S231 R232 L236 H237P192-L234 HydrophobicContact CB-CD2 4.23Å; S231-L234 VanDerWaalsContact O-CD1 3.24Å; S231-L234 WeakPolarHBondContact O-CD1 3.5Å; S231-L234 WeakPolarHBondContact O-CG 3.08Å; R232-L234 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 2.95Å; L234-H237 VanDerWaalsContact CD2-CD2 3.43Å; L234-H237 WeakPolarHBondContact CD2-CD2 3.32Å; L234-H237 PolarHBondContact O-CD2 3.07Å; L234-H237 PolarHBondContact O-N 2.88Å
235H63.5Low75.1Confident112 Ų11282.9 Ų82.952%0.51938%0.381SS..G310 helixtrans-62.3-28.6175.862.6-80.3000112.6N233 H237 R238N233-H235 PolarHBondContact O-N 3.32Å; H235-H237 VanDerWaalsContact C-N 3.31Å; H235-H237 PolarHBondContact O-N 3.17Å; H235-R238 PolarHBondContact O-N 2.86Å
236L57.6Low73.7Confident61 Ų6186.1 Ų86.132%0.31939%0.393SS..G310 helixtrans-69.2-26176.9-70.6167.5000112.6N233 L234 R238 L239N233-L236 HydrophobicContact CB-CD1 4.39Å; N233-L236 WeakPolarHBondContact O-CB 3.36Å; N233-L236 PolarHBondContact O-N 3.18Å; L234-L236 PolarHBondContact O-N 2.95Å; L236-R238 PolarHBondContact O-N 3.29Å; L236-R238 VanDerWaalsContact O-N 3.12Å; L236-L239 HydrophobicContact CD2-CD1 4.09Å; L236-L239 PolarHBondContact O-N 2.77Å; L236-L239 VanDerWaalsContact O-N 3.15Å
237H58.3Low72Confident34 Ų3492.2 Ų92.216%0.15742%0.421CS..G310 helixtrans-66.8-13.9177-60.3-69.9000113.8Y188 P192 P197 L234 H235Y188-H237 AromaticContact CE2-CE1 3.64Å; Y188-H237 AromaticContact CE2-ND1 3.35Å; Y188-H237 VanDerWaalsContact CE2-ND1 3.35Å; Y188-H237 WeakPolarHBondContact CE2-ND1 3.45Å; Y188-H237 AromaticContact CZ-ND1 3.85Å; P192-H237 PolarHBondContact O-NE2 2.92Å; P197-H237 WeakPolarHBondContact CG-CE1 3.48Å; P197-H237 VanDerWaalsContact CG-ND1 3.26Å; P197-H237 WeakPolarHBondContact CG-ND1 3.49Å; L234-H237 VanDerWaalsContact CD2-CD2 3.43Å; L234-H237 WeakPolarHBondContact CD2-CD2 3.32Å; L234-H237 PolarHBondContact O-CD2 3.07Å; L234-H237 PolarHBondContact O-N 2.88Å; H235-H237 VanDerWaalsContact C-N 3.31Å; H235-H237 PolarHBondContact O-N 3.17Å
238R53.5Low70.1Confident229 Ų22993.5 Ų93.586%0.86443%0.432SS*.G310 helixtrans-94.2-7.5177.8-62.7-176.1-179.9179.3-0.1113.4H235 L236H235-R238 PolarHBondContact O-N 2.86Å; L236-R238 PolarHBondContact O-N 3.29Å; L236-R238 VanDerWaalsContact O-N 3.12Å
239L47.2Very low68.1Low116 Ų11696.8 Ų96.861%0.60744%0.436SS*.  trans-102.3-2.8-169.1-70.9171.1000114.2L236L236-L239 HydrophobicContact CD2-CD1 4.09Å; L236-L239 PolarHBondContact O-N 2.77Å; L236-L239 VanDerWaalsContact O-N 3.15Å
240W43.2Very low65.7Low192 Ų192101.4 Ų101.473%0.72745%0.45SS*.  trans-136.90-175.5-49.789.6000111.5K199K199-W240 HydrophobicContact CB-CH2 4.49Å; K199-W240 HydrophobicContact CB-CZ3 4.14Å; K199-W240 HydrophobicContact CD-CH2 4.4Å; K199-W240 HydrophobicContact CD-CZ3 3.99Å; K199-W240 HydrophobicContact CG-CE3 4.3Å; K199-W240 HydrophobicContact CG-CH2 4.45Å; K199-W240 HydrophobicContact CG-CZ3 3.77Å

Retrieved 240 of 240 residues in 410.8 ms (Link to these results)

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