A0A087YMX2_POEFO Loading...

Transmembrane 4 L six family member 4

AlphaFold DB , UniProt , Accession A0A087YMX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 206 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
1M37.1Very low67.2Low236 Ų23663.8 Ų63.8100%1.16337%0.371SS*.  0108.80-59.5160.373.700105.5
2C47.9Very low68.8Low97 Ų9766.3 Ų66.366%0.65538%0.379SS*.  -175.340.870.7-840000111.3G4 G5 F6C2-G4 VanDerWaalsContact C-N 3.3Å; C2-G4 PolarHBondContact O-N 3.2Å; C2-G5 PolarHBondContact O-N 3.5Å; C2-F6 PolarHBondContact O-N 3.3Å
3S56.1Low70.3Confident40 Ų4065.5 Ų65.528%0.2838%0.38SS..Hα-helixtrans-58.8-37.1-173.4-162.60000113.7A7 M88S3-A7 VanDerWaalsContact O-CB 3.29Å; S3-A7 WeakPolarHBondContact O-CB 3.47Å; S3-A7 PolarHBondContact O-N 3.27Å; S3-A7 VanDerWaalsContact O-N 3.08Å; S3-M88 WeakPolarHBondContact OG-CE 3.37Å
4G59.5Low71.6Confident23 Ų2360.8 Ų60.824%0.23735%0.353CS..Hα-helixtrans-74.9-30.6-179.600000114.6C2 K8C2-G4 VanDerWaalsContact C-N 3.3Å; C2-G4 PolarHBondContact O-N 3.2Å; G4-K8 PolarHBondContact O-N 2.72Å; G4-K8 VanDerWaalsContact O-N 3.13Å
5G65.4Low72.8Confident36 Ų3663.9 Ų63.937%0.37137%0.365SS..Hα-helixtrans-71.3-42.2176.900000112.1C2 K8 C9C2-G5 PolarHBondContact O-N 3.5Å; G5-K8 PolarHBondContact O-N 3.15Å; G5-C9 PolarHBondContact O-N 3.25Å
6F72.3Confident73.9Confident94 Ų9464.1 Ų64.141%0.41237%0.369SS..Hα-helixtrans-68.5-42.7176.1-173.2-95000111.9C2 K8 C9 L10 V181 N185C2-F6 PolarHBondContact O-N 3.3Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.17Å; F6-C9 WeakPolarHBondContact O-CB 3.42Å; F6-C9 PolarHBondContact O-N 2.97Å; F6-C9 VanDerWaalsContact O-N 3.12Å; F6-L10 HydrophobicContact CD1-CD1 3.95Å; F6-L10 HydrophobicContact CD1-CG 4.12Å; F6-L10 HydrophobicContact CE1-CD1 3.63Å; F6-L10 HydrophobicContact CE1-CD2 3.95Å; F6-L10 HydrophobicContact CE1-CG 3.83Å; F6-L10 HydrophobicContact CZ-CD2 4.14Å; F6-L10 HydrophobicContact CZ-CG 4.43Å; F6-L10 WeakPolarHBondContact O-CG 3.17Å; F6-L10 PolarHBondContact O-N 3.13Å; F6-V181 HydrophobicContact CE1-CG1 3.49Å; F6-V181 VanDerWaalsContact CE1-CG1 3.49Å; F6-V181 HydrophobicContact CZ-CG1 3.76Å; F6-N185 WeakPolarHBondContact CD1-ND2 3.27Å; F6-N185 WeakPolarHBondContact CE1-ND2 3.41Å
7A73.1Confident74.9Confident0 Ų061.8 Ų61.80%036%0.355CS..Hα-helixtrans-58.9-38.3174.300000112.5S3 C9 L10 G11 F65 L68S3-A7 VanDerWaalsContact O-CB 3.29Å; S3-A7 WeakPolarHBondContact O-CB 3.47Å; S3-A7 PolarHBondContact O-N 3.27Å; S3-A7 VanDerWaalsContact O-N 3.08Å; A7-C9 PolarHBondContact O-N 3.41Å; A7-L10 WeakPolarHBondContact O-CB 3.47Å; A7-L10 PolarHBondContact O-N 3.11Å; A7-G11 PolarHBondContact O-N 3.12Å; A7-F65 WeakPolarHBondContact O-CB 3.34Å; A7-L68 HydrophobicContact CB-CD1 3.94Å
8K76.6Confident75.8Confident89 Ų8958.8 Ų58.839%0.38734%0.339SS..Hα-helixtrans-61.3-44.4174.1-178173.1177.7172.40112.1G4 G5 F6 L10 G11 I12 L66 K69G4-K8 PolarHBondContact O-N 2.72Å; G4-K8 VanDerWaalsContact O-N 3.13Å; G5-K8 PolarHBondContact O-N 3.15Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.17Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 3.39Å; K8-G11 PolarHBondContact O-N 3.2Å; K8-I12 HydrophobicContact CG-CD1 3.89Å; K8-I12 HydrophobicContact CG-CG1 4.38Å; K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 3.15Å; K8-L66 HydrophobicContact CG-CD2 4.1Å; K8-K69 HydrophobicContact CD-CD 4.1Å
9C82.4Confident76.7Confident76 Ų7660.6 Ų60.651%0.51435%0.346SS..Hα-helixtrans-60.4-42.8175.9-68.10000111.3G5 F6 A7 I12 S13G5-C9 PolarHBondContact O-N 3.25Å; F6-C9 WeakPolarHBondContact O-CB 3.42Å; F6-C9 PolarHBondContact O-N 2.97Å; F6-C9 VanDerWaalsContact O-N 3.12Å; A7-C9 PolarHBondContact O-N 3.41Å; C9-I12 PolarHBondContact O-N 2.8Å; C9-S13 PolarHBondContact O-N 2.67Å; C9-S13 PolarHBondContact O-OG 3.12Å; C9-S13 VanDerWaalsContact O-OG 3.12Å
10L84.3Confident77.5Confident11 Ų1160.2 Ų60.26%0.05835%0.345CS..Hα-helixtrans-60-47.8175.3-64.3-179.2000111.9F6 A7 K8 I12 S13 L14 F65 L178 Q182F6-L10 HydrophobicContact CD1-CD1 3.95Å; F6-L10 HydrophobicContact CD1-CG 4.12Å; F6-L10 HydrophobicContact CE1-CD1 3.63Å; F6-L10 HydrophobicContact CE1-CD2 3.95Å; F6-L10 HydrophobicContact CE1-CG 3.83Å; F6-L10 HydrophobicContact CZ-CD2 4.14Å; F6-L10 HydrophobicContact CZ-CG 4.43Å; F6-L10 WeakPolarHBondContact O-CG 3.17Å; F6-L10 PolarHBondContact O-N 3.13Å; A7-L10 WeakPolarHBondContact O-CB 3.47Å; A7-L10 PolarHBondContact O-N 3.11Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 3.39Å; L10-I12 PolarHBondContact O-N 2.94Å; L10-S13 PolarHBondContact O-N 3.28Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.15Å; L10-F65 HydrophobicContact CB-CD2 4.16Å; L10-L178 HydrophobicContact CD2-CB 4.44Å; L10-L178 HydrophobicContact CD2-CD2 3.55Å; L10-Q182 HydrophobicContact CD1-CB 3.93Å
11G84.6Confident78.1Confident0 Ų057.3 Ų57.30%033%0.329CS..Hα-helixtrans-61-42177.900000113.2A7 K8 S13 L14 M15A7-G11 PolarHBondContact O-N 3.12Å; K8-G11 PolarHBondContact O-N 3.2Å; G11-S13 VanDerWaalsContact C-N 3.35Å; G11-S13 PolarHBondContact O-N 2.93Å; G11-L14 PolarHBondContact O-N 2.87Å; G11-M15 PolarHBondContact O-N 2.69Å
12I86.6Confident80.7Confident93 Ų9348.1 Ų48.148%0.47729%0.285SS..Hα-helixtrans-63.2-41.1175.5-67.2170.7000110.9K8 C9 L10 P16 L66K8-I12 HydrophobicContact CG-CD1 3.89Å; K8-I12 HydrophobicContact CG-CG1 4.38Å; K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 3.15Å; C9-I12 PolarHBondContact O-N 2.8Å; L10-I12 PolarHBondContact O-N 2.94Å; I12-P16 WeakPolarHBondContact O-CD 3.29Å; I12-L66 HydrophobicContact CG1-CD2 3.68Å
13S87.9Confident82.8Confident56 Ų5648 Ų4839%0.39228%0.278SS..Hα-helixtrans-69.2-35.6178.1-64.50000112.7C9 L10 G11 M15 P16 L17C9-S13 PolarHBondContact O-N 2.67Å; C9-S13 PolarHBondContact O-OG 3.12Å; C9-S13 VanDerWaalsContact O-OG 3.12Å; L10-S13 PolarHBondContact O-N 3.28Å; G11-S13 VanDerWaalsContact C-N 3.35Å; G11-S13 PolarHBondContact O-N 2.93Å; S13-M15 VanDerWaalsContact C-N 3.33Å; S13-M15 PolarHBondContact O-N 3.22Å; S13-P16 VanDerWaalsContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CD 3.39Å; S13-P16 VanDerWaalsContact O-CG 3.32Å; S13-P16 WeakPolarHBondContact O-CG 3.21Å; S13-L17 WeakPolarHBondContact O-CD1 3.29Å
14L87.9Confident84.4Confident0 Ų046.7 Ų46.70%027%0.269CS..Hα-helixtrans-67.8-30.7-179.1-74.5170.6000113.5L10 G11 L17 A18 M58 A62 F65 Q175 L178L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.15Å; G11-L14 PolarHBondContact O-N 2.87Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 2.98Å; L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 3.22Å; L14-M58 HydrophobicContact CB-CG 4.49Å; L14-M58 HydrophobicContact CD1-SD 4.31Å; L14-M58 HydrophobicContact CD2-CG 4.24Å; L14-M58 HydrophobicContact CD2-SD 3.77Å; L14-A62 HydrophobicContact CB-CB 4.1Å; L14-F65 HydrophobicContact CD1-CD2 3.76Å; L14-F65 HydrophobicContact CD1-CE2 3.61Å; L14-Q175 HydrophobicContact CD2-CB 4.35Å; L14-Q175 HydrophobicContact CD2-CG 4.02Å; L14-L178 HydrophobicContact CD2-CB 4.03Å; L14-L178 HydrophobicContact CD2-CD1 3.71Å; L14-L178 HydrophobicContact CG-CD1 4.18Å
15M89.8Confident85.9Confident107 Ų10745.7 Ų45.753%0.52726%0.258SS..Hα-helixtrans-62.1-53.6-177.8-159.8172-158.600114.2G11 S13 L17 A18 I19G11-M15 PolarHBondContact O-N 2.69Å; S13-M15 VanDerWaalsContact C-N 3.33Å; S13-M15 PolarHBondContact O-N 3.22Å; M15-L17 VanDerWaalsContact C-N 3.28Å; M15-L17 PolarHBondContact O-N 3.23Å; M15-A18 PolarHBondContact O-N 3.2Å; M15-I19 WeakPolarHBondContact O-CG1 3.26Å; M15-I19 PolarHBondContact O-N 3.11Å; M15-I19 VanDerWaalsContact O-N 3.12Å
16P91.2Very high87Confident67 Ų6747.6 Ų47.644%0.43526%0.259SS..Hα-helixtrans-64.5-33.3175.126.6-34.6000112I12 S13 I19 V20I12-P16 WeakPolarHBondContact O-CD 3.29Å; S13-P16 VanDerWaalsContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CD 3.39Å; S13-P16 VanDerWaalsContact O-CG 3.32Å; S13-P16 WeakPolarHBondContact O-CG 3.21Å; P16-I19 PolarHBondContact O-N 2.93Å; P16-V20 WeakPolarHBondContact O-CG2 3.49Å; P16-V20 PolarHBondContact O-N 2.94Å
17L90.4Very high87.7Confident25 Ų2546.7 Ų46.713%0.13126%0.258CS..Hα-helixtrans-60.5-47.3176.1-92.771.6000111.2S13 L14 M15 V20 C21 M171 I174 Q175 L178S13-L17 WeakPolarHBondContact O-CD1 3.29Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 2.98Å; M15-L17 VanDerWaalsContact C-N 3.28Å; M15-L17 PolarHBondContact O-N 3.23Å; L17-V20 PolarHBondContact O-N 3.14Å; L17-C21 PolarHBondContact O-N 3.4Å; L17-C21 PolarHBondContact O-SG 3.34Å; L17-M171 HydrophobicContact CB-CE 4.1Å; L17-M171 HydrophobicContact CD1-CE 4.12Å; L17-M171 HydrophobicContact CG-CE 3.55Å; L17-M171 HydrophobicContact CG-SD 4.14Å; L17-I174 HydrophobicContact CD2-CB 3.99Å; L17-I174 HydrophobicContact CD2-CG2 3.58Å; L17-Q175 HydrophobicContact CB-CG 4.33Å; L17-Q175 HydrophobicContact CD2-CG 3.94Å; L17-L178 HydrophobicContact CD2-CD1 4.22Å
18A91.7Very high88.3Confident8 Ų847 Ų477%0.06626%0.26CS..Hα-helixtrans-62.8-41.5177.500000112.1L14 M15 C21 V22 M58L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 3.22Å; M15-A18 PolarHBondContact O-N 3.2Å; A18-C21 PolarHBondContact O-N 2.75Å; A18-V22 WeakPolarHBondContact O-CG2 3.42Å; A18-V22 PolarHBondContact O-N 2.03Å; A18-M58 HydrophobicContact CB-CB 4.14Å; A18-M58 HydrophobicContact CB-CG 4.32Å
19I92.4Very high88.6Confident93 Ų9345 Ų4548%0.47725%0.251SS..Hα-helixtrans-60.8-47.8176.8-67.1166000110.7M15 P16 C21 V22 L23M15-I19 WeakPolarHBondContact O-CG1 3.26Å; M15-I19 PolarHBondContact O-N 3.11Å; M15-I19 VanDerWaalsContact O-N 3.12Å; P16-I19 PolarHBondContact O-N 2.93Å; I19-C21 VanDerWaalsContact C-N 3.31Å; I19-C21 PolarHBondContact O-N 3.41Å; I19-V22 PolarHBondContact O-N 2.99Å; I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.03Å; I19-L23 PolarHBondContact O-N 3.34Å
20V92.8Very high88.7Confident53 Ų5345.4 Ų45.432%0.32124%0.244SC..Hα-helixtrans-60.3-42.4177.5172.50000110.8P16 L17 V22 L23 C24 V167 M171P16-V20 WeakPolarHBondContact O-CG2 3.49Å; P16-V20 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 3.14Å; V20-V22 PolarHBondContact O-N 3.34Å; V20-L23 PolarHBondContact O-N 3.19Å; V20-C24 WeakPolarHBondContact O-CB 3.48Å; V20-C24 PolarHBondContact O-N 2.97Å; V20-C24 PolarHBondContact O-SG 2.96Å; V20-C24 VanDerWaalsContact O-SG 3.33Å; V20-V167 HydrophobicContact CG1-CG1 4.11Å; V20-M171 HydrophobicContact CB-CE 3.87Å; V20-M171 HydrophobicContact CG1-CE 3.92Å; V20-M171 HydrophobicContact CG2-CE 4.27Å
21C90.8Very high88.4Confident0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-62-42.1177.8-65.20000112.7L17 A18 I19 N25 S54 L168 M171L17-C21 PolarHBondContact O-N 3.4Å; L17-C21 PolarHBondContact O-SG 3.34Å; A18-C21 PolarHBondContact O-N 2.75Å; I19-C21 VanDerWaalsContact C-N 3.31Å; I19-C21 PolarHBondContact O-N 3.41Å; C21-N25 WeakPolarHBondContact O-CB 3.23Å; C21-N25 PolarHBondContact O-N 2.86Å; C21-N25 VanDerWaalsContact O-N 3.11Å; C21-S54 WeakPolarHBondContact CB-OG 3.18Å; C21-L168 HydrophobicContact CB-CD2 3.89Å; C21-L168 WeakPolarHBondContact O-CD2 3.12Å; C21-M171 VanDerWaalsContact SG-CB 3.59Å
22V91.6Very high88Confident42 Ų4246.7 Ų46.726%0.25526%0.257SS..Hα-helixtrans-63-46.8175.5170.50000110.5A18 I19 V20 N25 I26 I51A18-V22 WeakPolarHBondContact O-CG2 3.42Å; A18-V22 PolarHBondContact O-N 2.03Å; I19-V22 PolarHBondContact O-N 2.99Å; V20-V22 PolarHBondContact O-N 3.34Å; V22-N25 PolarHBondContact O-N 3.35Å; V22-I26 HydrophobicContact CG1-CD1 3.81Å; V22-I26 HydrophobicContact CG1-CG1 4.48Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.06Å; V22-I26 PolarHBondContact O-N 3.33Å; V22-I51 HydrophobicContact CG1-CG1 4.34Å
23L91.9Very high87.3Confident94 Ų9444.7 Ų44.749%0.49226%0.26SS..Hα-helixtrans-62.2-46.1179.5-69.9174.7000112.2I19 V20 N25 I26 L27I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.03Å; I19-L23 PolarHBondContact O-N 3.34Å; V20-L23 PolarHBondContact O-N 3.19Å; L23-N25 VanDerWaalsContact C-N 3.27Å; L23-N25 PolarHBondContact O-N 3.02Å; L23-I26 PolarHBondContact O-N 3.37Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 3.2Å
24C90.1Very high86.7Confident13 Ų1347.3 Ų47.39%0.08826%0.264CS..Hα-helixtrans-58.9-40.8177-72.70000111.7V20 L27 L28 L164 L168V20-C24 WeakPolarHBondContact O-CB 3.48Å; V20-C24 PolarHBondContact O-N 2.97Å; V20-C24 PolarHBondContact O-SG 2.96Å; V20-C24 VanDerWaalsContact O-SG 3.33Å; C24-L27 PolarHBondContact O-N 3.29Å; C24-L28 WeakPolarHBondContact O-CG 3.38Å; C24-L28 PolarHBondContact O-N 3.35Å; C24-L164 HydrophobicContact CB-CD2 4.08Å; C24-L168 HydrophobicContact CB-CD2 3.96Å; C24-L168 HydrophobicContact CB-CG 4.03Å
25N89.7Confident86Confident3 Ų353.6 Ų53.62%0.01630%0.302CS..Hα-helixtrans-72.7-31.5178.9-159.535.8000113C21 V22 L23 L28 F29 I51C21-N25 WeakPolarHBondContact O-CB 3.23Å; C21-N25 PolarHBondContact O-N 2.86Å; C21-N25 VanDerWaalsContact O-N 3.11Å; V22-N25 PolarHBondContact O-N 3.35Å; L23-N25 VanDerWaalsContact C-N 3.27Å; L23-N25 PolarHBondContact O-N 3.02Å; N25-L28 WeakPolarHBondContact O-CB 3.43Å; N25-L28 PolarHBondContact O-N 3.42Å; N25-F29 VanDerWaalsContact O-CD2 3.27Å; N25-F29 WeakPolarHBondContact O-CD2 3.49Å; N25-I51 HydrophobicContact CB-CD1 4.3Å; N25-I51 HydrophobicContact CB-CG1 3.99Å; N25-I51 WeakPolarHBondContact ND2-CD1 3.04Å; N25-I51 WeakPolarHBondContact ND2-CG1 3.33Å; N25-I51 PolarHBondContact ND2-N 3.42Å; N25-I51 VanDerWaalsContact ND2-N 3.12Å
26I88.2Confident85Confident76 Ų7650 Ų5039%0.3929%0.286SS..Hα-helixtrans-64.5-43.4170.2-68.3166.5000110.3V22 L23 L28 F29 I51V22-I26 HydrophobicContact CG1-CD1 3.81Å; V22-I26 HydrophobicContact CG1-CG1 4.48Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.06Å; V22-I26 PolarHBondContact O-N 3.33Å; L23-I26 PolarHBondContact O-N 3.37Å; I26-L28 PolarHBondContact O-N 3.42Å; I26-F29 WeakPolarHBondContact O-CB 3.38Å; I26-F29 PolarHBondContact O-N 3.32Å; I26-F29 VanDerWaalsContact O-N 3.14Å; I26-I51 HydrophobicContact CG1-CD1 4.23Å
27L88.1Confident83.9Confident74 Ų7452.6 Ų52.639%0.38730%0.297SS..Hα-helixtrans-65.1-26.8177.6-70.3172.2000113.1L23 C24 F29 F30 W160 L164L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 3.2Å; C24-L27 PolarHBondContact O-N 3.29Å; L27-F29 PolarHBondContact O-N 3.28Å; L27-F30 PolarHBondContact O-N 2.9Å; L27-F30 VanDerWaalsContact O-N 3.09Å; L27-W160 HydrophobicContact CB-CZ2 4.01Å; L27-W160 HydrophobicContact CD2-CZ2 4.15Å; L27-W160 HydrophobicContact CG-CZ2 4.49Å; L27-W160 PolarHBondContact O-NE1 3.46Å; L27-L164 HydrophobicContact CB-CD1 3.79Å; L27-L164 HydrophobicContact CB-CD2 4.22Å; L27-L164 HydrophobicContact CD1-CD2 4.21Å
28L85.9Confident82.6Confident8 Ų859.3 Ų59.34%0.04233%0.325CS..Hα-helixtrans-66.1-22.6174.1-81170.1000113.3C24 N25 I26 F30 V45 L164 F165 L168C24-L28 WeakPolarHBondContact O-CG 3.38Å; C24-L28 PolarHBondContact O-N 3.35Å; N25-L28 WeakPolarHBondContact O-CB 3.43Å; N25-L28 PolarHBondContact O-N 3.42Å; I26-L28 PolarHBondContact O-N 3.42Å; L28-F30 PolarHBondContact O-N 3.42Å; L28-V45 HydrophobicContact CB-CG1 4.06Å; L28-V45 HydrophobicContact CB-CG2 4.07Å; L28-L164 HydrophobicContact CD1-CB 4.35Å; L28-L164 HydrophobicContact CD2-CB 3.76Å; L28-L164 HydrophobicContact CD2-CD1 3.86Å; L28-L164 HydrophobicContact CD2-CG 4.47Å; L28-L164 HydrophobicContact CG-CB 3.86Å; L28-L164 HydrophobicContact CG-CD1 3.86Å; L28-F165 HydrophobicContact CD1-CD1 4.02Å; L28-F165 HydrophobicContact CD1-CD2 4.04Å; L28-F165 HydrophobicContact CD1-CE1 3.69Å; L28-F165 HydrophobicContact CD1-CE2 3.67Å; L28-F165 HydrophobicContact CD1-CG 4.2Å; L28-F165 HydrophobicContact CD1-CZ 3.51Å; L28-F165 HydrophobicContact CD2-CD2 3.75Å; L28-F165 HydrophobicContact CD2-CE2 3.51Å; L28-F165 HydrophobicContact CD2-CZ 4.19Å; L28-F165 HydrophobicContact CG-CE2 4.23Å; L28-F165 HydrophobicContact CG-CZ 4.46Å; L28-L168 HydrophobicContact CD1-CD1 3.65Å
29F83.4Confident81.2Confident45 Ų4566.8 Ų66.820%0.19736%0.358CS..THydrogen-bonded Turntrans-69.4-14.2171.4-75-81.4000113.4N25 I26 L27 P31 V45 F48 I51N25-F29 VanDerWaalsContact O-CD2 3.27Å; N25-F29 WeakPolarHBondContact O-CD2 3.49Å; I26-F29 WeakPolarHBondContact O-CB 3.38Å; I26-F29 PolarHBondContact O-N 3.32Å; I26-F29 VanDerWaalsContact O-N 3.14Å; L27-F29 PolarHBondContact O-N 3.28Å; F29-P31 VanDerWaalsContact O-CD 3.24Å; F29-P31 WeakPolarHBondContact O-CD 2.94Å; F29-V45 HydrophobicContact CD1-CG1 3.86Å; F29-V45 HydrophobicContact CD2-CG1 3.93Å; F29-V45 HydrophobicContact CE1-CG1 3.76Å; F29-V45 HydrophobicContact CE2-CG1 3.84Å; F29-V45 HydrophobicContact CG-CG1 3.94Å; F29-V45 HydrophobicContact CZ-CG1 3.74Å; F29-F48 HydrophobicContact CE2-CE1 4.14Å; F29-F48 HydrophobicContact CZ-CD1 4.25Å; F29-F48 AromaticContact CZ-CE1 3.55Å; F29-F48 HydrophobicContact CZ-CE1 3.55Å; F29-F48 HydrophobicContact CZ-CZ 4.09Å; F29-I51 HydrophobicContact CE2-CD1 4.31Å
30F84.4Confident79.9Confident85 Ų8563.7 Ų63.737%0.37334%0.343SS..SBendtrans-113.881.1178.8-60.2-81.6000109.5L27 L28 G32 G33 V35 W160L27-F30 PolarHBondContact O-N 2.9Å; L27-F30 VanDerWaalsContact O-N 3.09Å; L28-F30 PolarHBondContact O-N 3.42Å; F30-G32 PolarHBondContact O-N 3.41Å; F30-G32 VanDerWaalsContact O-N 3.12Å; F30-G33 PolarHBondContact O-N 3Å; F30-V35 HydrophobicContact CD1-CG2 4.32Å; F30-V35 HydrophobicContact CE1-CG2 4.2Å; F30-W160 PolarHBondContact O-NE1 2.9Å; F30-W160 VanDerWaalsContact O-NE1 3.09Å
31P76.6Confident78.7Confident14 Ų1461.9 Ų61.99%0.09133%0.331CS..G310 helixtrans-60.8118.6-17825.5-33.9000110.4F29 G33 K34 V36 P154 V157F29-P31 VanDerWaalsContact O-CD 3.24Å; F29-P31 WeakPolarHBondContact O-CD 2.94Å; P31-G33 PolarHBondContact O-N 3.23Å; P31-K34 PolarHBondContact O-N 2.93Å; P31-V36 HydrophobicContact CG-CB 4.26Å; P31-V36 HydrophobicContact CG-CG2 3.77Å; P31-P154 HydrophobicContact CB-CG 3.98Å; P31-P154 HydrophobicContact CG-CG 4.38Å; P31-P154 WeakPolarHBondContact O-CG 3.38Å; P31-V157 HydrophobicContact CB-CG2 3.97Å
32G76Confident77.5Confident24 Ų2462.3 Ų62.325%0.24733%0.334CS..G310 helixtrans63.621.6-175.200000114.3F30 K34F30-G32 PolarHBondContact O-N 3.41Å; F30-G32 VanDerWaalsContact O-N 3.12Å; G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.44Å
33G72.9Confident76.5Confident52 Ų5264.1 Ų64.154%0.53634%0.342SS..G310 helixtrans72.713.6-179.700000114.7F30 P31F30-G33 PolarHBondContact O-N 3Å; P31-G33 PolarHBondContact O-N 3.23Å
34K74.5Confident75.4Confident111 Ų11159.8 Ų59.848%0.48332%0.319SS..  trans-106.5148.2176.2-65.4-161177.9-175.70111.3P31 G32 V36P31-K34 PolarHBondContact O-N 2.93Å; G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.44Å; K34-V36 PolarHBondContact O-N 2.88Å
35V72.9Confident74.4Confident131 Ų13159.2 Ų59.279%0.79432%0.316SS*.  trans-77.3119.1170.3-172.40000107.2F30F30-V35 HydrophobicContact CD1-CG2 4.32Å; F30-V35 HydrophobicContact CE1-CG2 4.2Å
36V69.7Low73.7Confident31 Ų3164.9 Ų64.919%0.18834%0.337CS..  trans-122.8149.1178.1-169.80000108.1P31 K34 N40 W132P31-V36 HydrophobicContact CG-CB 4.26Å; P31-V36 HydrophobicContact CG-CG2 3.77Å; K34-V36 PolarHBondContact O-N 2.88Å; V36-N40 HydrophobicContact CG1-CB 3.62Å; V36-W132 HydrophobicContact CG1-CH2 3.81Å; V36-W132 HydrophobicContact CG1-CZ2 3.99Å
37D68.1Low73.1Confident123 Ų12367.2 Ų67.266%0.65834%0.341SS*.  trans-57.6145.7175.9-65.2-51.8000112.1E39 N40D37-E39 PolarHBondContact O-N 3.35Å; D37-N40 PolarHBondContact O-N 2.89Å
38K62.4Low72.6Confident166 Ų16667.3 Ų67.372%0.72234%0.339SS*.G310 helixtrans-56.1-28.7-171.9-67.4-179.4-179.5176.40113.9N40 I41K38-N40 PolarHBondContact O-N 3.32Å; K38-I41 PolarHBondContact O-N 3.34Å
39E63.3Low72.3Confident164 Ų16467 Ų6777%0.76634%0.338SS*.G310 helixtrans-71.4-17.5-178.2-65.8163.6-161.100113.2D37 R118D37-E39 PolarHBondContact O-N 3.35Å; E39-R118 PolarHBondContact O-NH1 3.13Å
40N63.8Low72Confident29 Ų2965 Ų6516%0.15533%0.329CS..G310 helixtrans-105.82.1-176.8-60.8-34.2000112.7V36 D37 K38 W132V36-N40 HydrophobicContact CG1-CB 3.62Å; D37-N40 PolarHBondContact O-N 2.89Å; K38-N40 PolarHBondContact O-N 3.32Å; N40-W132 HydrophobicContact CB-CD2 3.69Å; N40-W132 HydrophobicContact CB-CE3 3.85Å; N40-W132 HydrophobicContact CB-CG 4.2Å; N40-W132 HydrophobicContact CB-CH2 4.15Å; N40-W132 HydrophobicContact CB-CZ2 4Å; N40-W132 HydrophobicContact CB-CZ3 4.08Å; N40-W132 VanDerWaalsContact CG-CE2 3.43Å; N40-W132 PolarHBondContact ND2-NE1 2.9Å; N40-W132 VanDerWaalsContact OD1-CG 3.3Å; N40-W132 PolarHBondContact OD1-NE1 3.48Å
41I67.9Low72Confident14 Ų1462.9 Ų62.97%0.07232%0.322CS..SBendtrans-80137176.9-60179.8000109K38 D43 V45K38-I41 PolarHBondContact O-N 3.34Å; I41-D43 PolarHBondContact O-N 2.9Å; I41-V45 HydrophobicContact CG2-CB 4.32Å; I41-V45 HydrophobicContact CG2-CG2 4.47Å
42T65.3Low72.5Confident10 Ų1066.8 Ų66.86%0.06134%0.342CS..  trans-53.6127173.9-56.60000111E44 V45 R118 Y134T42-E44 HydrophobicContact CG2-CB 4.17Å; T42-E44 WeakPolarHBondContact CG2-OE2 3.47Å; T42-E44 PolarHBondContact O-N 3.47Å; T42-E44 VanDerWaalsContact O-N 3.12Å; T42-V45 WeakPolarHBondContact O-CB 3.35Å; T42-V45 PolarHBondContact O-N 3.49Å; T42-V45 VanDerWaalsContact O-N 3.16Å; T42-R118 PolarHBondContact OG1-N 3.17Å; T42-Y134 HydrophobicContact CG2-CE1 4.16Å
43D71.7Confident72.9Confident79 Ų7965.7 Ų65.742%0.42233%0.33SS..G310 helixtrans-60.4-28.9-174.4-61-56.4000111.8I41 V45 W46 Y134I41-D43 PolarHBondContact O-N 2.9Å; D43-V45 PolarHBondContact O-N 2.88Å; D43-W46 WeakPolarHBondContact O-CB 3.45Å; D43-W46 PolarHBondContact O-N 3.38Å; D43-Y134 PolarHBondContact N-OH 3.27Å; D43-Y134 PolarHBondContact OD2-OH 3.04Å
44E68.5Low73.4Confident3 Ų363.2 Ų63.21%0.01431%0.305CS..G310 helixtrans-65.6-25-177.2-69.468.6-156.500113.6T42 W46 Y47 A112 K115 Y134T42-E44 HydrophobicContact CG2-CB 4.17Å; T42-E44 WeakPolarHBondContact CG2-OE2 3.47Å; T42-E44 PolarHBondContact O-N 3.47Å; T42-E44 VanDerWaalsContact O-N 3.12Å; E44-W46 PolarHBondContact O-N 3.19Å; E44-Y47 HydrophobicContact CB-CD2 4.25Å; E44-Y47 HydrophobicContact CG-CD2 4.39Å; E44-Y47 HydrophobicContact CG-CE2 4.31Å; E44-Y47 WeakPolarHBondContact O-CB 3.47Å; E44-Y47 PolarHBondContact O-N 3.42Å; E44-A112 HydrophobicContact CB-CB 3.98Å; E44-A112 HydrophobicContact CG-CB 4.16Å; E44-K115 WeakPolarHBondContact OE1-CD 3.32Å; E44-K115 WeakPolarHBondContact OE1-CE 3.47Å; E44-K115 IonicContact OE1-NZ 2.69Å; E44-K115 PolarHBondContact OE1-NZ 2.92Å; E44-Y134 PolarHBondContact OE2-OH 3.44Å
45V69.8Low74.1Confident2 Ų258 Ų581%0.01228%0.282CS..G310 helixtrans-66.5-30.2176.2-175.50000110.7L28 F29 I41 T42 D43 Y47 F48L28-V45 HydrophobicContact CB-CG1 4.06Å; L28-V45 HydrophobicContact CB-CG2 4.07Å; F29-V45 HydrophobicContact CD1-CG1 3.86Å; F29-V45 HydrophobicContact CD2-CG1 3.93Å; F29-V45 HydrophobicContact CE1-CG1 3.76Å; F29-V45 HydrophobicContact CE2-CG1 3.84Å; F29-V45 HydrophobicContact CG-CG1 3.94Å; F29-V45 HydrophobicContact CZ-CG1 3.74Å; I41-V45 HydrophobicContact CG2-CB 4.32Å; I41-V45 HydrophobicContact CG2-CG2 4.47Å; T42-V45 WeakPolarHBondContact O-CB 3.35Å; T42-V45 PolarHBondContact O-N 3.49Å; T42-V45 VanDerWaalsContact O-N 3.16Å; D43-V45 PolarHBondContact O-N 2.88Å; V45-Y47 PolarHBondContact O-N 2.85Å; V45-F48 PolarHBondContact O-N 3.08Å
46W73.9Confident74.9Confident121 Ų12154.7 Ų54.746%0.45826%0.262SS..G310 helixtrans-74.2-10.3177.7-70.199.7000114.1D43 E44 F48D43-W46 WeakPolarHBondContact O-CB 3.45Å; D43-W46 PolarHBondContact O-N 3.38Å; E44-W46 PolarHBondContact O-N 3.19Å; W46-F48 HydrophobicContact CE3-CE2 4Å; W46-F48 AromaticContact CE3-CZ 3.96Å; W46-F48 HydrophobicContact CE3-CZ 3.96Å; W46-F48 HydrophobicContact CZ3-CZ 4.2Å; W46-F48 WeakPolarHBondContact O-CD2 3.2Å; W46-F48 WeakPolarHBondContact O-CE2 3.44Å; W46-F48 PolarHBondContact O-N 3.24Å
47Y75.9Confident75.9Confident125 Ų12555.8 Ų55.849%0.4927%0.267SS..G310 helixtrans-73.6-5.6170.9-68.8-58.4000113.2E44 V45 G49 Y104E44-Y47 HydrophobicContact CB-CD2 4.25Å; E44-Y47 HydrophobicContact CG-CD2 4.39Å; E44-Y47 HydrophobicContact CG-CE2 4.31Å; E44-Y47 WeakPolarHBondContact O-CB 3.47Å; E44-Y47 PolarHBondContact O-N 3.42Å; V45-Y47 PolarHBondContact O-N 2.85Å; Y47-G49 PolarHBondContact O-N 2.92Å; Y47-Y104 WeakPolarHBondContact CB-OH 3.37Å; Y47-Y104 WeakPolarHBondContact O-CE1 3.5Å; Y47-Y104 PolarHBondContact O-OH 3.11Å
48F77.5Confident76.9Confident76 Ų7650 Ų5033%0.33324%0.235SC..  trans4931.4177.4-66.5-76.7000113.5F29 V45 W46 G50 I51 L52F29-F48 HydrophobicContact CE2-CE1 4.14Å; F29-F48 HydrophobicContact CZ-CD1 4.25Å; F29-F48 AromaticContact CZ-CE1 3.55Å; F29-F48 HydrophobicContact CZ-CE1 3.55Å; F29-F48 HydrophobicContact CZ-CZ 4.09Å; V45-F48 PolarHBondContact O-N 3.08Å; W46-F48 HydrophobicContact CE3-CE2 4Å; W46-F48 AromaticContact CE3-CZ 3.96Å; W46-F48 HydrophobicContact CE3-CZ 3.96Å; W46-F48 HydrophobicContact CZ3-CZ 4.2Å; W46-F48 WeakPolarHBondContact O-CD2 3.2Å; W46-F48 WeakPolarHBondContact O-CE2 3.44Å; W46-F48 PolarHBondContact O-N 3.24Å; F48-G50 VanDerWaalsContact C-N 3.3Å; F48-G50 PolarHBondContact O-N 3.04Å; F48-I51 HydrophobicContact CD1-CB 4.42Å; F48-I51 HydrophobicContact CD1-CD1 4.02Å; F48-I51 HydrophobicContact CE1-CD1 4.46Å; F48-I51 PolarHBondContact O-N 3.48Å; F48-L52 HydrophobicContact CB-CB 4.17Å; F48-L52 WeakPolarHBondContact O-CB 3.17Å; F48-L52 PolarHBondContact O-N 3.38Å
49G79.1Confident78.2Confident3 Ų346.2 Ų46.23%0.03122%0.222CC..Iπ-helixtrans-55-45.4-175.500000112.6Y47 G53 S54 S105Y47-G49 PolarHBondContact O-N 2.92Å; G49-G53 WeakPolarHBondContact O-CA 3.49Å; G49-G53 PolarHBondContact O-N 3.47Å; G49-S54 PolarHBondContact O-N 3.29Å; G49-S54 VanDerWaalsContact O-N 3.14Å; G49-S105 VanDerWaalsContact O-CB 3.3Å; G49-S105 WeakPolarHBondContact O-CB 3.39Å; G49-S105 PolarHBondContact O-OG 3.28Å
50G77.6Confident79.4Confident1 Ų143.3 Ų43.31%0.0121%0.207CC..Iπ-helixtrans-71.7-37.3179.100000115F48 S54 G55F48-G50 VanDerWaalsContact C-N 3.3Å; F48-G50 PolarHBondContact O-N 3.04Å; G50-S54 WeakPolarHBondContact CA-OG 3.22Å; G50-S54 PolarHBondContact O-OG 3.41Å; G50-G55 PolarHBondContact O-N 3.22Å
51I85.1Confident80.6Confident41 Ų4141.9 Ų41.921%0.2120%0.2CC..Iπ-helixtrans-81.4-55.5-177.6-74.7160000111.1V22 N25 I26 F29 F48 G55 V56V22-I51 HydrophobicContact CG1-CG1 4.34Å; N25-I51 HydrophobicContact CB-CD1 4.3Å; N25-I51 HydrophobicContact CB-CG1 3.99Å; N25-I51 WeakPolarHBondContact ND2-CD1 3.04Å; N25-I51 WeakPolarHBondContact ND2-CG1 3.33Å; N25-I51 PolarHBondContact ND2-N 3.42Å; N25-I51 VanDerWaalsContact ND2-N 3.12Å; I26-I51 HydrophobicContact CG1-CD1 4.23Å; F29-I51 HydrophobicContact CE2-CD1 4.31Å; F48-I51 HydrophobicContact CD1-CB 4.42Å; F48-I51 HydrophobicContact CD1-CD1 4.02Å; F48-I51 HydrophobicContact CE1-CD1 4.46Å; F48-I51 PolarHBondContact O-N 3.48Å; I51-G55 CarbonylContact O-C 3.49Å; I51-G55 VanDerWaalsContact O-CA 3.28Å; I51-G55 WeakPolarHBondContact O-CA 3.36Å; I51-V56 WeakPolarHBondContact O-CG2 3.31Å; I51-V56 PolarHBondContact O-N 3.06Å
52L86.1Confident81.6Confident97 Ų9741.5 Ų41.551%0.50820%0.199SC..Iπ-helixtrans-78.2-48.8-175.9-168.871000110.6F48 L57F48-L52 HydrophobicContact CB-CB 4.17Å; F48-L52 WeakPolarHBondContact O-CB 3.17Å; F48-L52 PolarHBondContact O-N 3.38Å; L52-L57 VanDerWaalsContact O-CG 3.27Å; L52-L57 WeakPolarHBondContact O-CG 3.36Å; L52-L57 PolarHBondContact O-N 2.98Å; L52-L57 VanDerWaalsContact O-N 3.12Å
53G84.4Confident82.6Confident1 Ų145.9 Ų45.91%0.0122%0.221CC..Iπ-helixtrans-70.1-75.4-175.600000113.6G49 G55 L57 G101G49-G53 WeakPolarHBondContact O-CA 3.49Å; G49-G53 PolarHBondContact O-N 3.47Å; G53-G55 VanDerWaalsContact C-N 3.33Å; G53-G55 PolarHBondContact O-N 3.34Å; G53-L57 WeakPolarHBondContact O-CB 3.44Å; G53-G101 CarbonylContact C-O 3.45Å; G53-G101 VanDerWaalsContact C-O 3.3Å; G53-G101 WeakPolarHBondContact CA-O 3.19Å; G53-G101 CarbonylContact O-C 3.3Å
54S84.8Confident83.3Confident0 Ų043.8 Ų43.80%021%0.211CC..Iπ-helixtrans-83.2-5.8-176.345.40000114.6C21 G49 G50 M58 S105 Q175C21-S54 WeakPolarHBondContact CB-OG 3.18Å; G49-S54 PolarHBondContact O-N 3.29Å; G49-S54 VanDerWaalsContact O-N 3.14Å; G50-S54 WeakPolarHBondContact CA-OG 3.22Å; G50-S54 PolarHBondContact O-OG 3.41Å; S54-M58 WeakPolarHBondContact O-CB 3.48Å; S54-S105 WeakPolarHBondContact OG-CB 3.27Å; S54-S105 PolarHBondContact OG-OG 3.04Å; S54-Q175 PolarHBondContact O-NE2 3.38Å
55G89.2Confident84Confident1 Ų143.6 Ų43.61%0.0121%0.21CC..Iπ-helixtrans-98.8-87.3179.200000112.2G50 I51 G53 M58 I59G50-G55 PolarHBondContact O-N 3.22Å; I51-G55 CarbonylContact O-C 3.49Å; I51-G55 VanDerWaalsContact O-CA 3.28Å; I51-G55 WeakPolarHBondContact O-CA 3.36Å; G53-G55 VanDerWaalsContact C-N 3.33Å; G53-G55 PolarHBondContact O-N 3.34Å; G55-M58 WeakPolarHBondContact O-CB 3.3Å; G55-M58 PolarHBondContact O-N 3.23Å; G55-M58 VanDerWaalsContact O-N 3.13Å; G55-I59 PolarHBondContact O-N 3.39Å
56V89.2Confident84.6Confident62 Ų6246 Ų4638%0.37622%0.223SC..Iπ-helixtrans-60.9-48.4-173.6174.40000112.1I51 M58 I59 F60I51-V56 WeakPolarHBondContact O-CG2 3.31Å; I51-V56 PolarHBondContact O-N 3.06Å; V56-M58 PolarHBondContact O-N 3.16Å; V56-M58 VanDerWaalsContact O-N 3.17Å; V56-I59 WeakPolarHBondContact O-CB 3.48Å; V56-I59 PolarHBondContact O-N 3.12Å; V56-I59 VanDerWaalsContact O-N 3.08Å; V56-F60 HydrophobicContact CG1-CE2 4.48Å
57L89.3Confident84.7Confident54 Ų5441.5 Ų41.528%0.28322%0.215SC..Hα-helixtrans-64.3-21.4179.2-69.1174000112.7L52 G53 P61 V97L52-L57 VanDerWaalsContact O-CG 3.27Å; L52-L57 WeakPolarHBondContact O-CG 3.36Å; L52-L57 PolarHBondContact O-N 2.98Å; L52-L57 VanDerWaalsContact O-N 3.12Å; G53-L57 WeakPolarHBondContact O-CB 3.44Å; L57-P61 WeakPolarHBondContact O-CD 3.1Å; L57-V97 HydrophobicContact CD2-CG1 4.14Å
58M90.1Very high84.4Confident0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-81-17.2177.1-161.257.455.800113.4L14 A18 S54 G55 V56 P61 A62 G98 A102 Q175L14-M58 HydrophobicContact CB-CG 4.49Å; L14-M58 HydrophobicContact CD1-SD 4.31Å; L14-M58 HydrophobicContact CD2-CG 4.24Å; L14-M58 HydrophobicContact CD2-SD 3.77Å; A18-M58 HydrophobicContact CB-CB 4.14Å; A18-M58 HydrophobicContact CB-CG 4.32Å; S54-M58 WeakPolarHBondContact O-CB 3.48Å; G55-M58 WeakPolarHBondContact O-CB 3.3Å; G55-M58 PolarHBondContact O-N 3.23Å; G55-M58 VanDerWaalsContact O-N 3.13Å; V56-M58 PolarHBondContact O-N 3.16Å; V56-M58 VanDerWaalsContact O-N 3.17Å; M58-P61 WeakPolarHBondContact O-CD 3.33Å; M58-P61 WeakPolarHBondContact O-CG 3.42Å; M58-P61 HydrophobicContact SD-CG 3.86Å; M58-A62 VanDerWaalsContact O-CB 3.31Å; M58-A62 WeakPolarHBondContact O-CB 3.49Å; M58-A62 PolarHBondContact O-N 2.91Å; M58-G98 VanDerWaalsContact CE-O 3.24Å; M58-G98 WeakPolarHBondContact CE-O 3.24Å; M58-A102 HydrophobicContact CE-CB 3.82Å; M58-Q175 HydrophobicContact CE-CB 3.71Å; M58-Q175 HydrophobicContact CE-CG 4.01Å; M58-Q175 HydrophobicContact CG-CG 4.39Å; M58-Q175 HydrophobicContact SD-CB 4.33Å; M58-Q175 HydrophobicContact SD-CG 4.31Å
59I89.8Confident83.4Confident87 Ų8739.1 Ų39.145%0.44621%0.208SC..Hα-helixtrans-66.8-39.4176.9-63.6173.6000110.7G55 V56 A62 L63G55-I59 PolarHBondContact O-N 3.39Å; V56-I59 WeakPolarHBondContact O-CB 3.48Å; V56-I59 PolarHBondContact O-N 3.12Å; V56-I59 VanDerWaalsContact O-N 3.08Å; I59-A62 PolarHBondContact O-N 3.13Å; I59-L63 HydrophobicContact CG2-CD1 3.77Å; I59-L63 HydrophobicContact CG2-CG 4.09Å; I59-L63 WeakPolarHBondContact O-CG 3.5Å; I59-L63 PolarHBondContact O-N 3Å
60F88.3Confident82.1Confident103 Ų10345.8 Ų45.845%0.45224%0.242SC..Hα-helixtrans-58.3-57.9179.1-63.6-82.8000113.2V56 A62 L63 V64 F94V56-F60 HydrophobicContact CG1-CE2 4.48Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 2.97Å; F60-L63 PolarHBondContact O-N 3.27Å; F60-V64 VanDerWaalsContact O-CG2 3.27Å; F60-V64 WeakPolarHBondContact O-CG2 3.39Å; F60-V64 PolarHBondContact O-N 3.48Å; F60-F94 HydrophobicContact CB-CD1 3.92Å; F60-F94 HydrophobicContact CB-CE1 4.39Å; F60-F94 HydrophobicContact CD1-CE1 4.48Å
61P88.3Confident80.6Confident0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-61.7-37.9176.123.3-32000112.1L57 M58 L63 V64 F65 F94L57-P61 WeakPolarHBondContact O-CD 3.1Å; M58-P61 WeakPolarHBondContact O-CD 3.33Å; M58-P61 WeakPolarHBondContact O-CG 3.42Å; M58-P61 HydrophobicContact SD-CG 3.86Å; P61-L63 PolarHBondContact O-N 2.93Å; P61-V64 PolarHBondContact O-N 3.18Å; P61-F65 HydrophobicContact CB-CE1 3.84Å; P61-F65 HydrophobicContact CB-CE2 4.07Å; P61-F65 HydrophobicContact CB-CZ 3.53Å; P61-F65 WeakPolarHBondContact O-CB 3.32Å; P61-F65 WeakPolarHBondContact O-CD1 3.4Å; P61-F65 WeakPolarHBondContact O-CG 3.42Å; P61-F65 PolarHBondContact O-N 2.74Å; P61-F94 HydrophobicContact CB-CB 4.48Å
62A88.9Confident78.5Confident6 Ų655.7 Ų55.75%0.0530%0.296CS..Hα-helixtrans-59.1-47.4178.100000112.4L14 M58 I59 F60 F65 L66L14-A62 HydrophobicContact CB-CB 4.1Å; M58-A62 VanDerWaalsContact O-CB 3.31Å; M58-A62 WeakPolarHBondContact O-CB 3.49Å; M58-A62 PolarHBondContact O-N 2.91Å; I59-A62 PolarHBondContact O-N 3.13Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 2.97Å; A62-F65 PolarHBondContact O-N 3.47Å; A62-L66 VanDerWaalsContact O-CG 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.24Å; A62-L66 PolarHBondContact O-N 3.3Å; A62-L66 VanDerWaalsContact O-N 3.08Å
63L87.1Confident76.5Confident102 Ų10253.9 Ų53.953%0.53429%0.29SS..Hα-helixtrans-66.3-41.6177.8-69.6177.6000112.2I59 F60 P61 L66 G67I59-L63 HydrophobicContact CG2-CD1 3.77Å; I59-L63 HydrophobicContact CG2-CG 4.09Å; I59-L63 WeakPolarHBondContact O-CG 3.5Å; I59-L63 PolarHBondContact O-N 3Å; F60-L63 PolarHBondContact O-N 3.27Å; P61-L63 PolarHBondContact O-N 2.93Å; L63-L66 PolarHBondContact O-N 3.48Å; L63-G67 PolarHBondContact O-N 3.06Å
64V85.4Confident74.4Confident34 Ų3459.5 Ų59.521%0.20633%0.328CS..Hα-helixtrans-62.7-44.6177.4172.50000110.3F60 P61 L66 G67 L68 F94F60-V64 VanDerWaalsContact O-CG2 3.27Å; F60-V64 WeakPolarHBondContact O-CG2 3.39Å; F60-V64 PolarHBondContact O-N 3.48Å; P61-V64 PolarHBondContact O-N 3.18Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.28Å; V64-G67 PolarHBondContact O-N 3.35Å; V64-G67 VanDerWaalsContact O-N 3.1Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.48Å; V64-L68 VanDerWaalsContact O-N 3.12Å; V64-F94 HydrophobicContact CB-CD2 4.47Å; V64-F94 HydrophobicContact CG1-CD2 4.31Å; V64-F94 HydrophobicContact CG2-CB 4.31Å; V64-F94 HydrophobicContact CG2-CD2 3.65Å; V64-F94 HydrophobicContact CG2-CE2 4.11Å; V64-F94 HydrophobicContact CG2-CG 3.97Å
65F84.3Confident72.2Confident0 Ų062.5 Ų62.50%036%0.36CS..Hα-helixtrans-66.8-34.6-179.2-60.1-2.1000112.2A7 L10 L14 P61 A62 A95 Q182A7-F65 WeakPolarHBondContact O-CB 3.34Å; L10-F65 HydrophobicContact CB-CD2 4.16Å; L14-F65 HydrophobicContact CD1-CD2 3.76Å; L14-F65 HydrophobicContact CD1-CE2 3.61Å; P61-F65 HydrophobicContact CB-CE1 3.84Å; P61-F65 HydrophobicContact CB-CE2 4.07Å; P61-F65 HydrophobicContact CB-CZ 3.53Å; P61-F65 WeakPolarHBondContact O-CB 3.32Å; P61-F65 WeakPolarHBondContact O-CD1 3.4Å; P61-F65 WeakPolarHBondContact O-CG 3.42Å; P61-F65 PolarHBondContact O-N 2.74Å; A62-F65 PolarHBondContact O-N 3.47Å; F65-A95 HydrophobicContact CE1-CB 4.07Å; F65-A95 HydrophobicContact CZ-CB 3.65Å; F65-Q182 HydrophobicContact CD1-CG 3.9Å; F65-Q182 HydrophobicContact CD2-CB 4.48Å; F65-Q182 HydrophobicContact CD2-CG 4.26Å; F65-Q182 HydrophobicContact CE1-CB 4.32Å; F65-Q182 HydrophobicContact CE1-CG 3.5Å; F65-Q182 VanDerWaalsContact CE1-CG 3.5Å; F65-Q182 HydrophobicContact CE2-CB 3.81Å; F65-Q182 HydrophobicContact CE2-CG 3.82Å; F65-Q182 HydrophobicContact CG-CG 4.32Å; F65-Q182 HydrophobicContact CZ-CB 3.76Å; F65-Q182 HydrophobicContact CZ-CG 3.46Å; F65-Q182 VanDerWaalsContact CZ-CG 3.46Å
66L82.9Confident69.6Low51 Ų5166.4 Ų66.427%0.26739%0.385SS..Hα-helixtrans-66.4-39.4170.9-71.4173000112.1K8 I12 A62 L63 V64 L68K8-L66 HydrophobicContact CG-CD2 4.1Å; I12-L66 HydrophobicContact CG1-CD2 3.68Å; A62-L66 VanDerWaalsContact O-CG 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.24Å; A62-L66 PolarHBondContact O-N 3.3Å; A62-L66 VanDerWaalsContact O-N 3.08Å; L63-L66 PolarHBondContact O-N 3.48Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.28Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.4Å
67G75.1Confident67.4Low28 Ų2869.9 Ų69.929%0.28941%0.411SS..Hα-helixtrans-69.2-24.7-179.100000114.7L63 V64 K69 N70 N71L63-G67 PolarHBondContact O-N 3.06Å; V64-G67 PolarHBondContact O-N 3.35Å; V64-G67 VanDerWaalsContact O-N 3.1Å; G67-K69 PolarHBondContact O-N 2.98Å; G67-N70 PolarHBondContact O-N 3.41Å; G67-N70 VanDerWaalsContact O-N 3.13Å; G67-N71 PolarHBondContact O-ND2 2.85Å
68L70.6Confident65.1Low29 Ų2971.7 Ų71.715%0.15244%0.443CS..THydrogen-bonded Turntrans-60.8-11.8-179.4-71.8174.4000115A7 V64 L66 A87A7-L68 HydrophobicContact CB-CD1 3.94Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.48Å; V64-L68 VanDerWaalsContact O-N 3.12Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.4Å; L68-A87 HydrophobicContact CD2-CB 4.23Å
69K56.8Low63Low122 Ų12276.2 Ų76.253%0.5347%0.467SS..THydrogen-bonded Turntrans-97.8-25.7175.8178.1164.1172.8150.60114.3K8 G67 N71K8-K69 HydrophobicContact CD-CD 4.1Å; G67-K69 PolarHBondContact O-N 2.98Å; K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 PolarHBondContact O-N 3.47Å
70N50.3Low61.3Low142 Ų14277.7 Ų77.776%0.75947%0.472SS*.THydrogen-bonded Turntrans-83-7.6-176.1-88.13.5000113.5G67 D72G67-N70 PolarHBondContact O-N 3.41Å; G67-N70 VanDerWaalsContact O-N 3.13Å; N70-D72 PolarHBondContact O-N 3.37Å
71N45.7Very low59.8Low104 Ų10476.2 Ų76.256%0.55648%0.475SS*.  trans-89.486.6174.4-49.8-34.4000107.8G67 K69 C73G67-N71 PolarHBondContact O-ND2 2.85Å; K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 PolarHBondContact O-N 3.47Å; N71-C73 PolarHBondContact O-N 2.88Å
72D42.1Very low58.2Low147 Ų14780 Ų8079%0.78650%0.5SS*.  trans-52.7137.1150-72.3-42.5000107N70 C74N70-D72 PolarHBondContact O-N 3.37Å; D72-C74 PolarHBondContact O-N 2.99Å
73C44.7Very low56.8Low58 Ų5880.8 Ų80.839%0.39251%0.509SS..SBendtrans-64.124.6-160.3-75.40000117.3N71 E80N71-C73 PolarHBondContact O-N 2.88Å; C73-E80 HydrophobicContact CB-CB 4.03Å; C73-E80 HydrophobicContact CB-CG 3.98Å; C73-E80 WeakPolarHBondContact CB-OE1 3.45Å; C73-E80 WeakPolarHBondContact O-CG 3.48Å
74C38.8Very low55.8Low119 Ų11982.3 Ų82.380%0.80451%0.507SS*.  trans-110.788.1179.6-88.60000112.1D72D72-C74 PolarHBondContact O-N 2.99Å
75G40.3Very low54.9Low64 Ų6486.4 Ų86.466%0.6652%0.519SS*.  trans-172.444.9-178.400000119.4
76C34.4Very low54.2Low82 Ų8293.9 Ų93.955%0.55455%0.552SS**SBendtrans-174.6115.1146.2-101.90000108G78C76-G78 PolarHBondContact O-N 3.31Å
77C41.2Very low53.7Low136 Ų13692.6 Ų92.692%0.91955%0.549SS*.THydrogen-bonded Turntrans5739.2173.8-57.30000116.6N79C77-N79 PolarHBondContact O-N 3.03Å
78G41.7Very low53.8Low92 Ų9292 Ų9295%0.94854%0.538SS*.THydrogen-bonded Turntrans64.710.5167.300000116.5C76C76-G78 PolarHBondContact O-N 3.31Å
79N45.6Very low54.3Low95 Ų9595.5 Ų95.551%0.50856%0.557SS.*  trans-125.9109.2179.5-170.216.9000111C77 S81 C82C77-N79 PolarHBondContact O-N 3.03Å; N79-S81 PolarHBondContact O-N 3.21Å; N79-S81 VanDerWaalsContact O-N 3.13Å; N79-C82 PolarHBondContact O-N 3.09Å
80E55.8Low55.5Low118 Ų11891.2 Ų91.255%0.55154%0.542SS*.Hα-helixtrans-57.7-29.5-175.7-60.2-171.3104.100112.8C73 R84C73-E80 HydrophobicContact CB-CB 4.03Å; C73-E80 HydrophobicContact CB-CG 3.98Å; C73-E80 WeakPolarHBondContact CB-OE1 3.45Å; C73-E80 WeakPolarHBondContact O-CG 3.48Å; E80-R84 WeakPolarHBondContact O-CB 3.3Å; E80-R84 PolarHBondContact O-N 3.36Å
81S56.5Low57.2Low72 Ų7284.5 Ų84.550%0.50351%0.506SS..Hα-helixtrans-68.1-36.1-177.1-43.10000113.2N79 R85N79-S81 PolarHBondContact O-N 3.21Å; N79-S81 VanDerWaalsContact O-N 3.13Å; S81-R85 PolarHBondContact O-N 3.26Å
82C53.9Low59.2Low79 Ų7980.9 Ų80.953%0.53449%0.487SS..Hα-helixtrans-76.5-45-176.4-168.10000111.8N79 R84 R85 F86N79-C82 PolarHBondContact O-N 3.09Å; C82-R84 VanDerWaalsContact C-N 3.31Å; C82-R84 PolarHBondContact O-N 3.36Å; C82-R85 PolarHBondContact O-N 2.92Å; C82-F86 PolarHBondContact O-N 3.12Å; C82-F86 VanDerWaalsContact O-N 3.16Å
83G60.3Low61.5Low22 Ų2279.3 Ų79.323%0.22748%0.478CS..Hα-helixtrans-62.4-37.5177.400000112.7F86 A87G83-F86 PolarHBondContact O-N 3.05Å; G83-A87 WeakPolarHBondContact O-CB 3.12Å; G83-A87 PolarHBondContact O-N 2.9Å
84R64.4Low63.7Low135 Ų13579.9 Ų79.951%0.50947%0.473SS..Hα-helixtrans-65.1-43.4177.3-175170.4174.9173.5-6.3112.7E80 C82 A87 M88E80-R84 WeakPolarHBondContact O-CB 3.3Å; E80-R84 PolarHBondContact O-N 3.36Å; C82-R84 VanDerWaalsContact C-N 3.31Å; C82-R84 PolarHBondContact O-N 3.36Å; R84-A87 PolarHBondContact O-N 3.31Å; R84-M88 WeakPolarHBondContact O-CG 3.34Å; R84-M88 PolarHBondContact O-N 2.98Å
85R66.7Low66.2Low120 Ų12074.2 Ų74.245%0.45344%0.435SS..Hα-helixtrans-65-42.6177.2-72.6-170-172177.411111.8S81 C82 M88 L89 D194S81-R85 PolarHBondContact O-N 3.26Å; C82-R85 PolarHBondContact O-N 2.92Å; R85-M88 PolarHBondContact O-N 3.28Å; R85-L89 WeakPolarHBondContact O-CB 3.41Å; R85-L89 WeakPolarHBondContact O-CG 3.02Å; R85-L89 PolarHBondContact O-N 2.98Å; R85-D194 IonicContact CZ-OD1 3.21Å; R85-D194 IonicContact CZ-OD2 3.38Å; R85-D194 IonicContact NE-OD1 3.18Å; R85-D194 PolarHBondContact NE-OD1 3.13Å; R85-D194 IonicContact NE-OD2 3.96Å; R85-D194 IonicContact NH2-OD1 2.59Å; R85-D194 PolarHBondContact NH2-OD1 3Å; R85-D194 IonicContact NH2-OD2 2.66Å; R85-D194 PolarHBondContact NH2-OD2 3.34Å
86F70.7Confident68.7Low157 Ų15773.3 Ų73.369%0.68942%0.421SS*.Hα-helixtrans-63.4-42.6178.4-174.4-100.9000112.2C82 G83 M88 S90C82-F86 PolarHBondContact O-N 3.12Å; C82-F86 VanDerWaalsContact O-N 3.16Å; G83-F86 PolarHBondContact O-N 3.05Å; F86-M88 PolarHBondContact O-N 2.95Å; F86-S90 WeakPolarHBondContact O-CB 3.46Å; F86-S90 PolarHBondContact O-N 3.25Å; F86-S90 PolarHBondContact O-OG 3.29Å
87A72.9Confident71.4Confident24 Ų2472 Ų7220%0.19841%0.411CS..Hα-helixtrans-64.5-37.3175.500000112.9L68 G83 R84 S90 S91L68-A87 HydrophobicContact CD2-CB 4.23Å; G83-A87 WeakPolarHBondContact O-CB 3.12Å; G83-A87 PolarHBondContact O-N 2.9Å; R84-A87 PolarHBondContact O-N 3.31Å; A87-S90 PolarHBondContact O-OG 2.98Å; A87-S91 PolarHBondContact O-N 3.5Å
88M77.3Confident73.9Confident15 Ų1565.6 Ų65.67%0.07437%0.368CS..Hα-helixtrans-72.7-42.6177.9-66.4-64.8-89.900111.7S3 R84 R85 F86 S91 I92S3-M88 WeakPolarHBondContact OG-CE 3.37Å; R84-M88 WeakPolarHBondContact O-CG 3.34Å; R84-M88 PolarHBondContact O-N 2.98Å; R85-M88 PolarHBondContact O-N 3.28Å; F86-M88 PolarHBondContact O-N 2.95Å; M88-S91 PolarHBondContact O-N 3.3Å; M88-S91 PolarHBondContact O-OG 3.38Å; M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å
89L79.4Confident76.4Confident103 Ų10362.5 Ų62.554%0.53933%0.333SS..Hα-helixtrans-63.8-41.4176-74.6170.7000112.4R85 S91 I92 L93R85-L89 WeakPolarHBondContact O-CB 3.41Å; R85-L89 WeakPolarHBondContact O-CG 3.02Å; R85-L89 PolarHBondContact O-N 2.98Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.8Å; L89-I92 PolarHBondContact O-N 3.2Å; L89-L93 PolarHBondContact O-N 3.27Å; L89-L93 VanDerWaalsContact O-N 3.07Å
90S83.2Confident78.6Confident32 Ų3264.4 Ų64.422%0.22434%0.343CS..Hα-helixtrans-63.5-39.4175.866.80000111.4F86 A87 I92 L93 F94F86-S90 WeakPolarHBondContact O-CB 3.46Å; F86-S90 PolarHBondContact O-N 3.25Å; F86-S90 PolarHBondContact O-OG 3.29Å; A87-S90 PolarHBondContact O-OG 2.98Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 2.88Å; S90-L93 WeakPolarHBondContact O-CB 3.44Å; S90-L93 PolarHBondContact O-N 2.91Å; S90-F94 WeakPolarHBondContact O-CD2 3.36Å; S90-F94 PolarHBondContact O-N 3.14Å
91S85.4Confident80.4Confident0 Ų058.9 Ų58.90%032%0.317CS..Hα-helixtrans-61.1-37.4175.5820000113.4A87 M88 L89 A95 Q182A87-S91 PolarHBondContact O-N 3.5Å; M88-S91 PolarHBondContact O-N 3.3Å; M88-S91 PolarHBondContact O-OG 3.38Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.8Å; S91-A95 VanDerWaalsContact O-CB 3.23Å; S91-A95 WeakPolarHBondContact O-CB 3.41Å; S91-A95 PolarHBondContact O-N 3.05Å; S91-Q182 PolarHBondContact OG-NE2 3.01Å
92I88.4Confident82.1Confident29 Ų2955.4 Ų55.415%0.14929%0.293CS..Hα-helixtrans-66-44.2175.3-64.9165.3000110.3M88 L89 S90 A95 A96 V183 L187M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å; L89-I92 PolarHBondContact O-N 3.2Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 2.88Å; I92-A95 PolarHBondContact O-N 2.82Å; I92-A96 PolarHBondContact O-N 2.87Å; I92-V183 HydrophobicContact CG2-CG1 4.23Å; I92-V183 HydrophobicContact CG2-CG2 4.35Å; I92-L187 HydrophobicContact CD1-CD2 3.92Å; I92-L187 HydrophobicContact CD1-CG 4.04Å
93L90.6Very high84Confident114 Ų11452.7 Ų52.760%0.59728%0.279SS*.Hα-helixtrans-59.1-49.9178.2-173.180.3000111.2L89 S90 A95 A96 V97L89-L93 PolarHBondContact O-N 3.27Å; L89-L93 VanDerWaalsContact O-N 3.07Å; S90-L93 WeakPolarHBondContact O-CB 3.44Å; S90-L93 PolarHBondContact O-N 2.91Å; L93-A95 PolarHBondContact O-N 3.19Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 3.19Å; L93-V97 WeakPolarHBondContact O-CG2 3.41Å; L93-V97 PolarHBondContact O-N 3.37Å
94F90.9Very high85.5Confident69 Ų6956.3 Ų56.330%0.30329%0.286SS..Hα-helixtrans-68.5-33.7179.2-73.3-70000112.6F60 P61 V64 S90 A96 V97 G98F60-F94 HydrophobicContact CB-CD1 3.92Å; F60-F94 HydrophobicContact CB-CE1 4.39Å; F60-F94 HydrophobicContact CD1-CE1 4.48Å; P61-F94 HydrophobicContact CB-CB 4.48Å; V64-F94 HydrophobicContact CB-CD2 4.47Å; V64-F94 HydrophobicContact CG1-CD2 4.31Å; V64-F94 HydrophobicContact CG2-CB 4.31Å; V64-F94 HydrophobicContact CG2-CD2 3.65Å; V64-F94 HydrophobicContact CG2-CE2 4.11Å; V64-F94 HydrophobicContact CG2-CG 3.97Å; S90-F94 WeakPolarHBondContact O-CD2 3.36Å; S90-F94 PolarHBondContact O-N 3.14Å; F94-A96 VanDerWaalsContact C-N 3.33Å; F94-V97 PolarHBondContact O-N 3.14Å; F94-G98 PolarHBondContact O-N 3.49Å
95A91.1Very high86.9Confident0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-62.2-40.1171.700000111.9F65 S91 I92 L93 G98 A99 C179 Q182 V183F65-A95 HydrophobicContact CE1-CB 4.07Å; F65-A95 HydrophobicContact CZ-CB 3.65Å; S91-A95 VanDerWaalsContact O-CB 3.23Å; S91-A95 WeakPolarHBondContact O-CB 3.41Å; S91-A95 PolarHBondContact O-N 3.05Å; I92-A95 PolarHBondContact O-N 2.82Å; L93-A95 PolarHBondContact O-N 3.19Å; A95-G98 PolarHBondContact O-N 2.96Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.2Å; A95-C179 HydrophobicContact CB-CB 4.47Å; A95-Q182 HydrophobicContact CB-CB 4.46Å; A95-Q182 HydrophobicContact CB-CG 4.38Å; A95-V183 HydrophobicContact CB-CG2 3.77Å
96A91.5Very high88.2Confident45 Ų4545 Ų4537%0.37225%0.246SC..Hα-helixtrans-65.1-43.1175.800000111.7I92 L93 F94 G98 A99 L100I92-A96 PolarHBondContact O-N 2.87Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 3.19Å; F94-A96 VanDerWaalsContact C-N 3.33Å; A96-G98 VanDerWaalsContact C-N 3.33Å; A96-G98 PolarHBondContact O-N 3.12Å; A96-A99 PolarHBondContact O-N 3.38Å; A96-L100 WeakPolarHBondContact O-CG 3.3Å; A96-L100 PolarHBondContact O-N 3.09Å
97V92.3Very high89.3Confident56 Ų5641.9 Ų41.934%0.33924%0.239SC..Hα-helixtrans-60.2-43.6173.8174.60000111.1L57 L93 F94 L100 G101L57-V97 HydrophobicContact CD2-CG1 4.14Å; L93-V97 WeakPolarHBondContact O-CG2 3.41Å; L93-V97 PolarHBondContact O-N 3.37Å; F94-V97 PolarHBondContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 3.46Å; V97-G101 PolarHBondContact O-N 3.19Å
98G92.7Very high90.2Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-60-45.2174.500000112.9M58 F94 A95 A96 L100 G101 A102M58-G98 VanDerWaalsContact CE-O 3.24Å; M58-G98 WeakPolarHBondContact CE-O 3.24Å; F94-G98 PolarHBondContact O-N 3.49Å; A95-G98 PolarHBondContact O-N 2.96Å; A96-G98 VanDerWaalsContact C-N 3.33Å; A96-G98 PolarHBondContact O-N 3.12Å; G98-L100 PolarHBondContact O-N 3.45Å; G98-G101 PolarHBondContact O-N 2.88Å; G98-A102 WeakPolarHBondContact O-CB 3.45Å; G98-A102 PolarHBondContact O-N 3.35Å
99A93.8Very high90.9Very high28 Ų2840.8 Ų40.823%0.23123%0.23CC..Hα-helixtrans-64.1-39177.500000112.3A95 A96 G103 C179A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.2Å; A96-A99 PolarHBondContact O-N 3.38Å; A99-G103 PolarHBondContact O-N 3.49Å; A99-C179 HydrophobicContact CB-CB 4.05Å
100L93.3Very high91.5Very high134 Ų13438.7 Ų38.770%0.70222%0.224SC*.Hα-helixtrans-64.9-43.8174-70.8172.8000111.6A96 V97 G98 G103 Y104A96-L100 WeakPolarHBondContact O-CG 3.3Å; A96-L100 PolarHBondContact O-N 3.09Å; V97-L100 PolarHBondContact O-N 3.46Å; G98-L100 PolarHBondContact O-N 3.45Å; L100-G103 PolarHBondContact O-N 3.04Å; L100-Y104 PolarHBondContact O-N 3Å
101G92.1Very high91.8Very high2 Ų240.5 Ų40.52%0.02123%0.233CC..Hα-helixtrans-62.8-45.4176.200000113G53 V97 G98 Y104 S105G53-G101 CarbonylContact C-O 3.45Å; G53-G101 VanDerWaalsContact C-O 3.3Å; G53-G101 WeakPolarHBondContact CA-O 3.19Å; G53-G101 CarbonylContact O-C 3.3Å; V97-G101 PolarHBondContact O-N 3.19Å; G98-G101 PolarHBondContact O-N 2.88Å; G101-Y104 PolarHBondContact O-N 3.44Å; G101-S105 PolarHBondContact O-N 3.2Å; G101-S105 VanDerWaalsContact O-N 3.13Å
102A93.5Very high92Very high0 Ų040.5 Ų40.50%023%0.233CC..Hα-helixtrans-65.9-40.217500000111.9M58 G98 Y104 S105 V106 Q175 I176M58-A102 HydrophobicContact CE-CB 3.82Å; G98-A102 WeakPolarHBondContact O-CB 3.45Å; G98-A102 PolarHBondContact O-N 3.35Å; A102-Y104 PolarHBondContact O-N 3.27Å; A102-S105 WeakPolarHBondContact O-CB 3.34Å; A102-S105 PolarHBondContact O-N 2.93Å; A102-V106 WeakPolarHBondContact O-CG2 3.18Å; A102-V106 PolarHBondContact O-N 3.41Å; A102-Q175 HydrophobicContact CB-CB 3.9Å; A102-I176 HydrophobicContact CB-CD1 4.44Å; A102-I176 HydrophobicContact CB-CG1 3.74Å
103G93.8Very high92.1Very high22 Ų2240.2 Ų40.223%0.22723%0.232CC..Hα-helixtrans-59.1-44174.400000112.5A99 L100 S105 V106 V107A99-G103 PolarHBondContact O-N 3.49Å; L100-G103 PolarHBondContact O-N 3.04Å; G103-S105 PolarHBondContact O-N 3.23Å; G103-V106 PolarHBondContact O-N 3.19Å; G103-V107 WeakPolarHBondContact O-CG2 3.42Å; G103-V107 PolarHBondContact O-N 3.37Å
104Y92.5Very high92.1Very high98 Ų9838.2 Ų38.238%0.38422%0.222SC..Hα-helixtrans-58.1-47.1173.1173.6-105.3000111.8Y47 L100 G101 A102 V106 V107 V108Y47-Y104 WeakPolarHBondContact CB-OH 3.37Å; Y47-Y104 WeakPolarHBondContact O-CE1 3.5Å; Y47-Y104 PolarHBondContact O-OH 3.11Å; L100-Y104 PolarHBondContact O-N 3Å; G101-Y104 PolarHBondContact O-N 3.44Å; A102-Y104 PolarHBondContact O-N 3.27Å; Y104-V106 VanDerWaalsContact C-N 3.33Å; Y104-V106 PolarHBondContact O-N 3.48Å; Y104-V107 PolarHBondContact O-N 3.15Å; Y104-V108 HydrophobicContact CD2-CG2 4.24Å; Y104-V108 HydrophobicContact CE1-CG2 4.13Å; Y104-V108 HydrophobicContact CE2-CG2 3.84Å; Y104-V108 WeakPolarHBondContact O-CG2 3.39Å; Y104-V108 PolarHBondContact O-N 3.34Å
105S92.5Very high91.9Very high0 Ų039.4 Ų39.40%023%0.227CC..Hα-helixtrans-59.3-41.7176.9-169.30000112.5G49 S54 G101 A102 G103 S109G49-S105 VanDerWaalsContact O-CB 3.3Å; G49-S105 WeakPolarHBondContact O-CB 3.39Å; G49-S105 PolarHBondContact O-OG 3.28Å; S54-S105 WeakPolarHBondContact OG-CB 3.27Å; S54-S105 PolarHBondContact OG-OG 3.04Å; G101-S105 PolarHBondContact O-N 3.2Å; G101-S105 VanDerWaalsContact O-N 3.13Å; A102-S105 WeakPolarHBondContact O-CB 3.34Å; A102-S105 PolarHBondContact O-N 2.93Å; G103-S105 PolarHBondContact O-N 3.23Å; S105-S109 WeakPolarHBondContact O-CB 3.43Å; S105-S109 PolarHBondContact O-N 2.94Å; S105-S109 PolarHBondContact O-OG 3.36Å
106V94.7Very high91.6Very high18 Ų1839.4 Ų39.411%0.10923%0.227CC..Hα-helixtrans-63.2-47176.6169.60000111.3A102 G103 Y104 S109 C110 L173 I176A102-V106 WeakPolarHBondContact O-CG2 3.18Å; A102-V106 PolarHBondContact O-N 3.41Å; G103-V106 PolarHBondContact O-N 3.19Å; Y104-V106 VanDerWaalsContact C-N 3.33Å; Y104-V106 PolarHBondContact O-N 3.48Å; V106-S109 PolarHBondContact O-N 3.32Å; V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 3.06Å; V106-C110 VanDerWaalsContact O-SG 3.32Å; V106-L173 HydrophobicContact CG1-CD2 4.17Å; V106-L173 HydrophobicContact CG2-CD2 4.24Å; V106-L173 HydrophobicContact CG2-CG 4.24Å; V106-I176 HydrophobicContact CG2-CD1 4.13Å
107V93.4Very high91.3Very high91 Ų9137.3 Ų37.355%0.55221%0.209SC*.Hα-helixtrans-61.5-47.4179.1172.40000110.8G103 Y104 S109 C110 V111G103-V107 WeakPolarHBondContact O-CG2 3.42Å; G103-V107 PolarHBondContact O-N 3.37Å; Y104-V107 PolarHBondContact O-N 3.15Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 2.86Å; V107-C110 PolarHBondContact O-N 2.92Å; V107-V111 WeakPolarHBondContact O-CG2 3.39Å; V107-V111 PolarHBondContact O-N 2.94Å
108V91.6Very high90.8Very high14 Ų1437.6 Ų37.69%0.08521%0.205CC..Hα-helixtrans-59.8-42.6176.6172.70000110.8Y104 V111 A112Y104-V108 HydrophobicContact CD2-CG2 4.24Å; Y104-V108 HydrophobicContact CE1-CG2 4.13Å; Y104-V108 HydrophobicContact CE2-CG2 3.84Å; Y104-V108 WeakPolarHBondContact O-CG2 3.39Å; Y104-V108 PolarHBondContact O-N 3.34Å; V108-V111 PolarHBondContact O-N 3.37Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.26Å
109S92.2Very high90.4Very high1 Ų137.6 Ų37.61%0.00721%0.205CC..Hα-helixtrans-63.9-42.1178.4-58.30000112.2S105 V106 V107 A112 I113S105-S109 WeakPolarHBondContact O-CB 3.43Å; S105-S109 PolarHBondContact O-N 2.94Å; S105-S109 PolarHBondContact O-OG 3.36Å; V106-S109 PolarHBondContact O-N 3.32Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 2.86Å; S109-A112 PolarHBondContact O-N 3.23Å; S109-I113 WeakPolarHBondContact O-CB 3.4Å; S109-I113 WeakPolarHBondContact O-CD1 3.31Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; S109-I113 PolarHBondContact O-N 3.35Å
110C91.8Very high89.6Confident60 Ų6036.6 Ų36.641%0.40520%0.196SC..Hα-helixtrans-61.5-45.2174.6-70.90000112V106 V107 I113 N114 L169V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 3.06Å; V106-C110 VanDerWaalsContact O-SG 3.32Å; V107-C110 PolarHBondContact O-N 2.92Å; C110-I113 PolarHBondContact O-N 3.33Å; C110-N114 WeakPolarHBondContact O-CB 3.34Å; C110-N114 PolarHBondContact O-N 2.93Å; C110-L169 WeakPolarHBondContact SG-CD1 3.47Å
111V90.4Very high88.8Confident69 Ų6933 Ų3342%0.41818%0.177SC..Hα-helixtrans-64.3-43.5178.9172.60000110.8V107 V108 N114 K115V107-V111 WeakPolarHBondContact O-CG2 3.39Å; V107-V111 PolarHBondContact O-N 2.94Å; V108-V111 PolarHBondContact O-N 3.37Å; V111-N114 PolarHBondContact O-N 3.46Å; V111-K115 HydrophobicContact CG1-CD 4.38Å; V111-K115 PolarHBondContact O-N 2.91Å
112A88.5Confident87.7Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-61.8-45.3176.800000111.6E44 V108 S109 N114 K115 G116 H161 F165E44-A112 HydrophobicContact CB-CB 3.98Å; E44-A112 HydrophobicContact CG-CB 4.16Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.26Å; S109-A112 PolarHBondContact O-N 3.23Å; A112-N114 VanDerWaalsContact C-N 3.29Å; A112-N114 PolarHBondContact O-N 3.32Å; A112-K115 PolarHBondContact O-N 3.35Å; A112-G116 PolarHBondContact O-N 2.92Å; A112-H161 PolarHBondContact O-CE1 3.49Å; A112-F165 HydrophobicContact CB-CD1 3.82Å; A112-F165 HydrophobicContact CB-CD2 3.85Å; A112-F165 HydrophobicContact CB-CE1 3.6Å; A112-F165 HydrophobicContact CB-CE2 3.66Å; A112-F165 HydrophobicContact CB-CG 3.93Å; A112-F165 HydrophobicContact CB-CZ 3.5Å
113I90.7Very high86.2Confident24 Ų2439 Ų3912%0.12321%0.21CC..Hα-helixtrans-62.8-36.2176.1-68.5165.2000111.4S109 C110 Y141 L142 L162 F165 L169S109-I113 WeakPolarHBondContact O-CB 3.4Å; S109-I113 WeakPolarHBondContact O-CD1 3.31Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; S109-I113 PolarHBondContact O-N 3.35Å; C110-I113 PolarHBondContact O-N 3.33Å; I113-Y141 WeakPolarHBondContact O-CE1 3.36Å; I113-Y141 PolarHBondContact O-OH 3.12Å; I113-L142 HydrophobicContact CG2-CD1 3.96Å; I113-L142 HydrophobicContact CG2-CD2 4.19Å; I113-L162 HydrophobicContact CG1-CD1 4.24Å; I113-L162 HydrophobicContact CG2-CD1 3.83Å; I113-F165 HydrophobicContact CD1-CB 4.01Å; I113-F165 HydrophobicContact CG1-CB 3.72Å; I113-L169 HydrophobicContact CD1-CD1 4.04Å
114N89.9Confident84.5Confident71 Ų7142 Ų4238%0.3823%0.225SC..Hα-helixtrans-73-35.9179.1-169.754.2000112.7C110 V111 A112 N138 G139C110-N114 WeakPolarHBondContact O-CB 3.34Å; C110-N114 PolarHBondContact O-N 2.93Å; V111-N114 PolarHBondContact O-N 3.46Å; A112-N114 VanDerWaalsContact C-N 3.29Å; A112-N114 PolarHBondContact O-N 3.32Å; N114-N138 VanDerWaalsContact OD1-C 3.29Å; N114-G139 PolarHBondContact O-N 3.5Å
115K86.9Confident82.8Confident94 Ų9443.3 Ų43.341%0.40924%0.243SC..Hα-helixtrans-76.6-34.2177-85.9179.8158.6-178.90113.4E44 V111 A112E44-K115 WeakPolarHBondContact OE1-CD 3.32Å; E44-K115 WeakPolarHBondContact OE1-CE 3.47Å; E44-K115 IonicContact OE1-NZ 2.69Å; E44-K115 PolarHBondContact OE1-NZ 2.92Å; V111-K115 HydrophobicContact CG1-CD 4.38Å; V111-K115 PolarHBondContact O-N 2.91Å; A112-K115 PolarHBondContact O-N 3.35Å
116G85.2Confident81Confident0 Ų047.5 Ų47.50%027%0.266CS..  trans75.5171.6-172.300000113.6A112 Y134A112-G116 PolarHBondContact O-N 2.92Å; G116-Y134 WeakPolarHBondContact O-CD1 3.23Å; G116-Y134 WeakPolarHBondContact O-CE1 3.05Å
117P86.4Confident79.2Confident1 Ų152.6 Ų52.61%0.00630%0.297CS..  trans-75.2153.6-179.530.3-34.3000112.2F136 V157 V158 H161P117-F136 HydrophobicContact CG-CE2 4.15Å; P117-V157 HydrophobicContact CB-CG2 3.94Å; P117-V157 HydrophobicContact CG-CG1 4.32Å; P117-V157 HydrophobicContact CG-CG2 4.32Å; P117-V158 HydrophobicContact CG-CG2 4.22Å; P117-H161 HydrophobicContact CB-CB 3.85Å; P117-H161 HydrophobicContact CG-CB 4.02Å
118R82Confident77.3Confident63 Ų6355.5 Ų55.524%0.23831%0.309CS..  trans-75.5135165.7-155.5173.7-179.3-169.6-6.9110.1E39 T42 W132 E133 Y134E39-R118 PolarHBondContact O-NH1 3.13Å; T42-R118 PolarHBondContact OG1-N 3.17Å; R118-W132 HydrophobicContact CG-CB 4.38Å; R118-W132 PolarHBondContact NE-O 3.42Å; R118-W132 PolarHBondContact NH2-O 3.32Å; R118-E133 WeakPolarHBondContact CG-O 3.43Å; R118-Y134 HydrophobicContact CB-CD1 4.36Å; R118-Y134 HydrophobicContact CB-CE1 3.9Å; R118-Y134 HydrophobicContact CB-CE2 4.42Å; R118-Y134 HydrophobicContact CG-CD2 4.43Å; R118-Y134 HydrophobicContact CG-CE1 4.47Å; R118-Y134 HydrophobicContact CG-CE2 4.18Å
119C82.5Confident75.6Confident0 Ų060.9 Ų60.90%033%0.334CS..EExtended strand (participates in β ladder)trans-148162.2-179.770.70000111.9E133 C151 V157C119-E133 PolarHBondContact N-O 2.76Å; C119-E133 VanDerWaalsContact N-O 3.14Å; C119-E133 PolarHBondContact O-N 3.31Å; C119-C151 HydrophobicContact CB-CB 3.61Å; C119-C151 WeakPolarHBondContact CB-SG 3.49Å; C119-C151 WeakPolarHBondContact SG-CA 3.46Å; C119-C151 WeakPolarHBondContact SG-CB 3.27Å; C119-C151 CovalentContact SG-SG 2.03Å; C119-C151 PolarHBondContact SG-SG 3.35Å; C119-V157 HydrophobicContact CB-CG1 4.1Å
120S78.6Confident74Confident7 Ų765.9 Ų65.95%0.04936%0.364CS..EExtended strand (participates in β ladder)trans-85.4126.2171.9-177.40000109.9V122 K152 Q153S120-V122 PolarHBondContact OG-O 3.49Å; S120-K152 PolarHBondContact O-N 3.41Å; S120-Q153 PolarHBondContact N-O 2.78Å
121L76.1Confident72.8Confident59 Ų5968.1 Ų68.131%0.30937%0.369SS..  trans-80.5-21.4176.1-70.7174.2000112.8P135 E150L121-P135 HydrophobicContact CD1-CB 4.49Å; L121-P135 HydrophobicContact CD2-CB 3.74Å; L121-P135 HydrophobicContact CD2-CG 4.27Å; L121-P135 HydrophobicContact CG-CB 4.48Å; L121-E150 HydrophobicContact CD2-CB 4.08Å; L121-E150 WeakPolarHBondContact CD2-O 3.49Å
122V68Low72Confident36 Ų3666.7 Ų66.722%0.21836%0.356CS..SBendtrans-96.8143-174.2-175.10000111.1S120 D126 Q129S120-V122 PolarHBondContact OG-O 3.49Å; V122-D126 HydrophobicContact CG1-CB 3.98Å; V122-Q129 WeakPolarHBondContact CB-O 3.36Å; V122-Q129 HydrophobicContact CG2-CB 4.47Å; V122-Q129 WeakPolarHBondContact CG2-O 3.25Å
123D62.6Low71.5Confident92 Ų9270.8 Ų70.849%0.49238%0.375SS..  trans-64.8149.2179.3-113-48.8000112T125 D126D123-T125 PolarHBondContact O-N 3.03Å; D123-D126 PolarHBondContact O-N 2.9Å
124P57.7Low71Confident84 Ų8472.9 Ų72.955%0.54538%0.382SS..THydrogen-bonded Turntrans-62-13.5-177.8-16.628.9000114.5
125T56.2Low70.5Confident125 Ų12571.4 Ų71.477%0.76738%0.376SS*.THydrogen-bonded Turntrans-84.1-13.3-177.245.80000113.6D123D123-T125 PolarHBondContact O-N 3.03Å
126D54.9Low70.3Confident89 Ų8967.5 Ų67.548%0.47636%0.359SS..  trans-108.586.5179.3-143.3-31.1000110.6V122 D123 N128V122-D126 HydrophobicContact CG1-CB 3.98Å; D123-D126 PolarHBondContact O-N 2.9Å; D126-N128 PolarHBondContact O-N 2.87Å; D126-N128 VanDerWaalsContact O-N 3.11Å
127V56.8Low70Confident125 Ų12573.2 Ų73.276%0.75839%0.389SS*.THydrogen-bonded Turntrans-66.5-13.4-169.7-172.90000112.9
128N54.9Low69.9Low151 Ų15179 Ų7981%0.80742%0.42SS*.THydrogen-bonded Turntrans-93-5.2-173.6-79.7-29.7000115D126D126-N128 PolarHBondContact O-N 2.87Å; D126-N128 VanDerWaalsContact O-N 3.11Å
129Q55.8Low69.9Low128 Ų12876.4 Ų76.460%0.59841%0.413SS*.  trans-141.667.2-175.5-65.8-171.6-12.100113V122 Q131V122-Q129 WeakPolarHBondContact CB-O 3.36Å; V122-Q129 HydrophobicContact CG2-CB 4.47Å; V122-Q129 WeakPolarHBondContact CG2-O 3.25Å; Q129-Q131 PolarHBondContact O-N 3.2Å
130T58.8Low70Confident105 Ų10578.8 Ų78.864%0.64443%0.426SS*.  trans-83.785.1168.134.30000110.9
131Q66.6Low70.4Confident108 Ų10878.5 Ų78.551%0.50542%0.424SS..  trans-95111.3174.2-155.1175-19.100110.1Q129 E133Q129-Q131 PolarHBondContact O-N 3.2Å; Q131-E133 HydrophobicContact CG-CG 3.79Å; Q131-E133 PolarHBondContact NE2-OE1 3.47Å
132W73.1Confident71Confident39 Ų3979.1 Ų79.115%0.14843%0.427CS..EExtended strand (participates in β ladder)trans-93.7106.4175.7-73.183.9000110.1V36 N40 R118V36-W132 HydrophobicContact CG1-CH2 3.81Å; V36-W132 HydrophobicContact CG1-CZ2 3.99Å; N40-W132 HydrophobicContact CB-CD2 3.69Å; N40-W132 HydrophobicContact CB-CE3 3.85Å; N40-W132 HydrophobicContact CB-CG 4.2Å; N40-W132 HydrophobicContact CB-CH2 4.15Å; N40-W132 HydrophobicContact CB-CZ2 4Å; N40-W132 HydrophobicContact CB-CZ3 4.08Å; N40-W132 VanDerWaalsContact CG-CE2 3.43Å; N40-W132 PolarHBondContact ND2-NE1 2.9Å; N40-W132 VanDerWaalsContact OD1-CG 3.3Å; N40-W132 PolarHBondContact OD1-NE1 3.48Å; R118-W132 HydrophobicContact CG-CB 4.38Å; R118-W132 PolarHBondContact NE-O 3.42Å; R118-W132 PolarHBondContact NH2-O 3.32Å
133E78.9Confident71.8Confident86 Ų8685.3 Ų85.340%0.40245%0.454SS..EExtended strand (participates in β ladder)trans-128.2172.1-177.7-55.5-157.6136.400111.8R118 C119 Q131 P135R118-E133 WeakPolarHBondContact CG-O 3.43Å; C119-E133 PolarHBondContact N-O 2.76Å; C119-E133 VanDerWaalsContact N-O 3.14Å; C119-E133 PolarHBondContact O-N 3.31Å; Q131-E133 HydrophobicContact CG-CG 3.79Å; Q131-E133 PolarHBondContact NE2-OE1 3.47Å; E133-P135 VanDerWaalsContact O-CD 3.23Å; E133-P135 WeakPolarHBondContact O-CD 3.42Å
134Y80Confident73Confident68 Ų6885 Ų8527%0.26745%0.452SS..  trans-94.898.9166.2-67.9-85000107.2T42 D43 E44 G116 R118 F136T42-Y134 HydrophobicContact CG2-CE1 4.16Å; D43-Y134 PolarHBondContact N-OH 3.27Å; D43-Y134 PolarHBondContact OD2-OH 3.04Å; E44-Y134 PolarHBondContact OE2-OH 3.44Å; G116-Y134 WeakPolarHBondContact O-CD1 3.23Å; G116-Y134 WeakPolarHBondContact O-CE1 3.05Å; R118-Y134 HydrophobicContact CB-CD1 4.36Å; R118-Y134 HydrophobicContact CB-CE1 3.9Å; R118-Y134 HydrophobicContact CB-CE2 4.42Å; R118-Y134 HydrophobicContact CG-CD2 4.43Å; R118-Y134 HydrophobicContact CG-CE1 4.47Å; R118-Y134 HydrophobicContact CG-CE2 4.18Å; Y134-F136 PolarHBondContact O-N 2.98Å
135P78.8Confident74.2Confident39 Ų3986.9 Ų86.925%0.25345%0.453SS..  trans-77.7-11.9-176.434-38.8000112.9L121 E133L121-P135 HydrophobicContact CD1-CB 4.49Å; L121-P135 HydrophobicContact CD2-CB 3.74Å; L121-P135 HydrophobicContact CD2-CG 4.27Å; L121-P135 HydrophobicContact CG-CB 4.48Å; E133-P135 VanDerWaalsContact O-CD 3.23Å; E133-P135 WeakPolarHBondContact O-CD 3.42Å
136F83.6Confident75.6Confident13 Ų1386.1 Ų86.16%0.05745%0.449CS..  trans-94138.3-175.4-52.8-55.3000111.2P117 Y134 Y141 L147 C151 V158P117-F136 HydrophobicContact CG-CE2 4.15Å; Y134-F136 PolarHBondContact O-N 2.98Å; F136-Y141 HydrophobicContact CB-CD1 3.68Å; F136-Y141 HydrophobicContact CB-CE1 4.32Å; F136-Y141 HydrophobicContact CB-CG 4.37Å; F136-Y141 HydrophobicContact CD1-CD1 4.1Å; F136-Y141 AromaticContact CD1-CG 3.92Å; F136-Y141 HydrophobicContact CD1-CG 3.92Å; F136-Y141 HydrophobicContact CD2-CD1 4.09Å; F136-Y141 HydrophobicContact CD2-CE1 4.46Å; F136-Y141 HydrophobicContact CD2-CG 4.27Å; F136-Y141 HydrophobicContact CE1-CG 4.25Å; F136-Y141 AromaticContact CG-CD1 3.66Å; F136-Y141 HydrophobicContact CG-CD1 3.66Å; F136-Y141 HydrophobicContact CG-CE1 4.4Å; F136-Y141 AromaticContact CG-CG 3.9Å; F136-Y141 HydrophobicContact CG-CG 3.9Å; F136-L147 HydrophobicContact CD1-CB 4.43Å; F136-L147 HydrophobicContact CE1-CB 4.07Å; F136-L147 WeakPolarHBondContact CE1-O 3.44Å; F136-C151 VanDerWaalsContact CZ-SG 3.55Å; F136-V158 HydrophobicContact CE2-CG2 3.95Å; F136-V158 HydrophobicContact CZ-CG2 3.69Å
137N78.9Confident76.9Confident119 Ų11983.7 Ų83.764%0.63644%0.436SS*.SBendtrans-118.4114.3-180-168.522.9000110.1G139 D140N137-G139 VanDerWaalsContact C-N 3.33Å; N137-G139 PolarHBondContact O-N 3.35Å; N137-D140 PolarHBondContact N-OD1 3.44Å; N137-D140 VanDerWaalsContact N-OD1 3.12Å; N137-D140 PolarHBondContact N-OD2 3.41Å; N137-D140 WeakPolarHBondContact O-CB 3.44Å; N137-D140 VanDerWaalsContact O-CG 3.31Å; N137-D140 PolarHBondContact O-N 3.46Å
138N82.3Confident78.3Confident123 Ų12381.2 Ų81.266%0.65841%0.413SS*.THydrogen-bonded Turntrans49.246.3177.6-75.4-23.3000114.5N114 D140N114-N138 VanDerWaalsContact OD1-C 3.29Å; N138-D140 VanDerWaalsContact C-N 3.28Å; N138-D140 PolarHBondContact O-N 2.93Å
139G82Confident79.5Confident9 Ų977.5 Ų77.59%0.09340%0.398CS..THydrogen-bonded Turntrans70.516.4172.900000115.5N114 N137 Y141 L142N114-G139 PolarHBondContact O-N 3.5Å; N137-G139 VanDerWaalsContact C-N 3.33Å; N137-G139 PolarHBondContact O-N 3.35Å; G139-Y141 PolarHBondContact O-N 3.16Å; G139-Y141 VanDerWaalsContact O-N 3.15Å; G139-L142 VanDerWaalsContact O-CB 3.26Å; G139-L142 WeakPolarHBondContact O-CB 3.4Å; G139-L142 WeakPolarHBondContact O-CG 3.28Å; G139-L142 PolarHBondContact O-N 3.1Å
140D86.4Confident80.7Confident50 Ų5076.2 Ų76.227%0.26739%0.392SS..Hα-helixtrans-50.4-34.9173.758.8-10.2000113.7N137 N138 L142 Q143 N144 L147N137-D140 PolarHBondContact N-OD1 3.44Å; N137-D140 VanDerWaalsContact N-OD1 3.12Å; N137-D140 PolarHBondContact N-OD2 3.41Å; N137-D140 WeakPolarHBondContact O-CB 3.44Å; N137-D140 VanDerWaalsContact O-CG 3.31Å; N137-D140 PolarHBondContact O-N 3.46Å; N138-D140 VanDerWaalsContact C-N 3.28Å; N138-D140 PolarHBondContact O-N 2.93Å; D140-L142 PolarHBondContact O-N 2.94Å; D140-Q143 PolarHBondContact O-N 3.26Å; D140-N144 PolarHBondContact O-N 2.98Å; D140-L147 HydrophobicContact CB-CD1 3.99Å
141Y86.4Confident81.8Confident0 Ų071.9 Ų71.90%037%0.366CS..Hα-helixtrans-65.1-17.8176.280.8-86.3000114.7I113 F136 G139 W148 V158I113-Y141 WeakPolarHBondContact O-CE1 3.36Å; I113-Y141 PolarHBondContact O-OH 3.12Å; F136-Y141 HydrophobicContact CB-CD1 3.68Å; F136-Y141 HydrophobicContact CB-CE1 4.32Å; F136-Y141 HydrophobicContact CB-CG 4.37Å; F136-Y141 HydrophobicContact CD1-CD1 4.1Å; F136-Y141 AromaticContact CD1-CG 3.92Å; F136-Y141 HydrophobicContact CD1-CG 3.92Å; F136-Y141 HydrophobicContact CD2-CD1 4.09Å; F136-Y141 HydrophobicContact CD2-CE1 4.46Å; F136-Y141 HydrophobicContact CD2-CG 4.27Å; F136-Y141 HydrophobicContact CE1-CG 4.25Å; F136-Y141 AromaticContact CG-CD1 3.66Å; F136-Y141 HydrophobicContact CG-CD1 3.66Å; F136-Y141 HydrophobicContact CG-CE1 4.4Å; F136-Y141 AromaticContact CG-CG 3.9Å; F136-Y141 HydrophobicContact CG-CG 3.9Å; G139-Y141 PolarHBondContact O-N 3.16Å; G139-Y141 VanDerWaalsContact O-N 3.15Å; Y141-W148 AromaticContact CD2-NE1 3.78Å; Y141-W148 PolarHBondContact O-NE1 3.27Å; Y141-V158 HydrophobicContact CD2-CG1 3.6Å; Y141-V158 HydrophobicContact CE2-CG1 3.75Å
142L87.6Confident82.4Confident72 Ų7271.3 Ų71.338%0.37736%0.362SS..Hα-helixtrans-74.1-31.4175.7-59.3174.6000111.6I113 G139 D140 L162I113-L142 HydrophobicContact CG2-CD1 3.96Å; I113-L142 HydrophobicContact CG2-CD2 4.19Å; G139-L142 VanDerWaalsContact O-CB 3.26Å; G139-L142 WeakPolarHBondContact O-CB 3.4Å; G139-L142 WeakPolarHBondContact O-CG 3.28Å; G139-L142 PolarHBondContact O-N 3.1Å; D140-L142 PolarHBondContact O-N 2.94Å; L142-L162 HydrophobicContact CD2-CD1 3.54Å; L142-L162 HydrophobicContact CD2-CD2 3.92Å; L142-L162 HydrophobicContact CD2-CG 4.39Å
143Q86.4Confident82.4Confident166 Ų16673.2 Ų73.278%0.77637%0.373SS*.Hα-helixtrans-93-39.3178.5-170.7174.34.300111.5D140D140-Q143 PolarHBondContact O-N 3.26Å
144N86Confident82.1Confident87 Ų8769.3 Ų69.347%0.46535%0.354SS..  trans-107.192.5-177.9-75.6-31.4000111.4D140 T146 L147D140-N144 PolarHBondContact O-N 2.98Å; N144-T146 PolarHBondContact O-N 3.02Å; N144-T146 VanDerWaalsContact O-N 3.11Å; N144-L147 HydrophobicContact CB-CD1 3.76Å; N144-L147 HydrophobicContact CB-CG 4.18Å; N144-L147 WeakPolarHBondContact O-CB 3.41Å; N144-L147 PolarHBondContact O-N 3.15Å; N144-L147 VanDerWaalsContact O-N 3.13Å
145H84.7Confident82Confident123 Ų12370.4 Ų70.457%0.56937%0.368SS*.G310 helixtrans-63-16.2177.1-65.5-67.9000114.2L147 W148H145-L147 VanDerWaalsContact C-N 3.25Å; H145-L147 PolarHBondContact O-N 3.37Å; H145-W148 AromaticContact CE1-CZ2 3.76Å; H145-W148 AromaticContact ND1-CE2 3.44Å; H145-W148 AromaticContact ND1-CH2 3.88Å; H145-W148 AromaticContact ND1-CZ2 3.29Å; H145-W148 VanDerWaalsContact ND1-CZ2 3.29Å; H145-W148 WeakPolarHBondContact ND1-CZ2 3.44Å; H145-W148 AromaticContact ND1-NE1 3.74Å; H145-W148 WeakPolarHBondContact O-CB 3.32Å; H145-W148 PolarHBondContact O-N 2.94Å
146T84.6Confident82Confident108 Ų10874.7 Ų74.766%0.66339%0.389SS*.G310 helixtrans-63.6-32.1174.450.20000112.2N144 W148 S149N144-T146 PolarHBondContact O-N 3.02Å; N144-T146 VanDerWaalsContact O-N 3.11Å; T146-W148 PolarHBondContact O-N 2.94Å; T146-S149 WeakPolarHBondContact O-CB 3.32Å; T146-S149 PolarHBondContact O-N 3.27Å; T146-S149 VanDerWaalsContact O-N 3.15Å; T146-S149 PolarHBondContact O-OG 3.34Å
147L83.2Confident82.2Confident39 Ų3974.2 Ų74.220%0.20439%0.387CS..G310 helixtrans-64.3-18.8177.5-69.4164.7000112.6F136 D140 N144 H145 S149 E150F136-L147 HydrophobicContact CD1-CB 4.43Å; F136-L147 HydrophobicContact CE1-CB 4.07Å; F136-L147 WeakPolarHBondContact CE1-O 3.44Å; D140-L147 HydrophobicContact CB-CD1 3.99Å; N144-L147 HydrophobicContact CB-CD1 3.76Å; N144-L147 HydrophobicContact CB-CG 4.18Å; N144-L147 WeakPolarHBondContact O-CB 3.41Å; N144-L147 PolarHBondContact O-N 3.15Å; N144-L147 VanDerWaalsContact O-N 3.13Å; H145-L147 VanDerWaalsContact C-N 3.25Å; H145-L147 PolarHBondContact O-N 3.37Å; L147-S149 PolarHBondContact O-N 2.94Å; L147-S149 VanDerWaalsContact O-N 3.15Å; L147-E150 HydrophobicContact CD2-CG 4.43Å; L147-E150 VanDerWaalsContact O-CB 3.29Å; L147-E150 WeakPolarHBondContact O-CB 3.47Å; L147-E150 WeakPolarHBondContact O-CG 3.38Å; L147-E150 PolarHBondContact O-N 3.42Å; L147-E150 VanDerWaalsContact O-N 3.12Å
148W85.4Confident82.5Confident73 Ų7368.8 Ų68.828%0.27736%0.358SS..G310 helixtrans-64.9-21177.8-63.620.8000111.7Y141 H145 T146 E150 V158 L162Y141-W148 AromaticContact CD2-NE1 3.78Å; Y141-W148 PolarHBondContact O-NE1 3.27Å; H145-W148 AromaticContact CE1-CZ2 3.76Å; H145-W148 AromaticContact ND1-CE2 3.44Å; H145-W148 AromaticContact ND1-CH2 3.88Å; H145-W148 AromaticContact ND1-CZ2 3.29Å; H145-W148 VanDerWaalsContact ND1-CZ2 3.29Å; H145-W148 WeakPolarHBondContact ND1-CZ2 3.44Å; H145-W148 AromaticContact ND1-NE1 3.74Å; H145-W148 WeakPolarHBondContact O-CB 3.32Å; H145-W148 PolarHBondContact O-N 2.94Å; T146-W148 PolarHBondContact O-N 2.94Å; W148-E150 VanDerWaalsContact C-N 3.32Å; W148-V158 HydrophobicContact CB-CG2 4.49Å; W148-V158 HydrophobicContact CD2-CB 4.16Å; W148-V158 HydrophobicContact CD2-CG1 3.73Å; W148-V158 HydrophobicContact CE3-CB 4.42Å; W148-V158 HydrophobicContact CE3-CG1 4.32Å; W148-V158 HydrophobicContact CG-CB 4.26Å; W148-V158 HydrophobicContact CG-CG1 3.88Å; W148-V158 HydrophobicContact CZ2-CG1 4.18Å; W148-L162 HydrophobicContact CH2-CD2 4.48Å; W148-L162 HydrophobicContact CZ2-CD2 4.16Å
149S80.9Confident82.8Confident72 Ų7265.8 Ų65.850%0.50335%0.347SS..G310 helixtrans-78.7-11.4178.170.70000114.6T146 L147 C151 K152T146-S149 WeakPolarHBondContact O-CB 3.32Å; T146-S149 PolarHBondContact O-N 3.27Å; T146-S149 VanDerWaalsContact O-N 3.15Å; T146-S149 PolarHBondContact O-OG 3.34Å; L147-S149 PolarHBondContact O-N 2.94Å; L147-S149 VanDerWaalsContact O-N 3.15Å; S149-C151 VanDerWaalsContact C-N 3.35Å; S149-K152 PolarHBondContact O-NZ 3.4Å
150E80.3Confident83.1Confident102 Ų10269.7 Ų69.748%0.47736%0.359SS..THydrogen-bonded Turntrans-68.2-36171.9-64.4-68.2157.200110.8L121 L147 W148 K152L121-E150 HydrophobicContact CD2-CB 4.08Å; L121-E150 WeakPolarHBondContact CD2-O 3.49Å; L147-E150 HydrophobicContact CD2-CG 4.43Å; L147-E150 VanDerWaalsContact O-CB 3.29Å; L147-E150 WeakPolarHBondContact O-CB 3.47Å; L147-E150 WeakPolarHBondContact O-CG 3.38Å; L147-E150 PolarHBondContact O-N 3.42Å; L147-E150 VanDerWaalsContact O-N 3.12Å; W148-E150 VanDerWaalsContact C-N 3.32Å; E150-K152 PolarHBondContact O-N 3.38Å
151C81.1Confident83.3Confident13 Ų1367.6 Ų67.69%0.08835%0.348CS..  trans-79.4100.6173.6-72.40000111.1C119 F136 S149 V157 V158C119-C151 HydrophobicContact CB-CB 3.61Å; C119-C151 WeakPolarHBondContact CB-SG 3.49Å; C119-C151 WeakPolarHBondContact SG-CA 3.46Å; C119-C151 WeakPolarHBondContact SG-CB 3.27Å; C119-C151 CovalentContact SG-SG 2.03Å; C119-C151 PolarHBondContact SG-SG 3.35Å; F136-C151 VanDerWaalsContact CZ-SG 3.55Å; S149-C151 VanDerWaalsContact C-N 3.35Å; C151-V157 HydrophobicContact CB-CG1 4.09Å; C151-V158 HydrophobicContact CB-CG2 4.25Å
152K78.8Confident83.5Confident97 Ų9769.5 Ų69.542%0.42236%0.358SS..  trans-78.4-41.4176.8-61.8-53.9-173.3-157.10112.7S120 S149 E150S120-K152 PolarHBondContact O-N 3.41Å; S149-K152 PolarHBondContact O-NZ 3.4Å; E150-K152 PolarHBondContact O-N 3.38Å
153Q73.9Confident83.8Confident79 Ų7967.8 Ų67.837%0.36936%0.357SS..BIsolated β-bridgetrans-138.9134.8-176.4-168149.4-16.200111.5S120S120-Q153 PolarHBondContact N-O 2.78Å
154P73.6Confident84Confident3 Ų360.8 Ų60.82%0.01933%0.325CS..SBendcis-73.1149-518-13.4000114.7P31 N156 V157P31-P154 HydrophobicContact CB-CG 3.98Å; P31-P154 HydrophobicContact CG-CG 4.38Å; P31-P154 WeakPolarHBondContact O-CG 3.38Å; P154-N156 PolarHBondContact O-N 2.96Å; P154-V157 HydrophobicContact CB-CB 4.48Å; P154-V157 HydrophobicContact CG-CB 3.87Å; P154-V157 HydrophobicContact CG-CG2 3.89Å; P154-V157 VanDerWaalsContact O-CB 3.3Å; P154-V157 WeakPolarHBondContact O-CB 3.31Å; P154-V157 WeakPolarHBondContact O-CG1 3.06Å; P154-V157 PolarHBondContact O-N 3.33Å
155T76.7Confident84.3Confident92 Ų9256.8 Ų56.856%0.56430%0.304SS*.THydrogen-bonded Turntrans-58.9133-179.9-40.30000110.6V157T155-V157 PolarHBondContact O-N 3.12Å
156N80.1Confident84.7Confident128 Ų12853.9 Ų53.968%0.68430%0.297SS*.THydrogen-bonded Turntrans59.222.6-178.5-60.9-35.7000115.4P154 V158 S159 W160P154-N156 PolarHBondContact O-N 2.96Å; N156-V158 VanDerWaalsContact C-N 3.26Å; N156-V158 PolarHBondContact O-N 2.66Å; N156-S159 PolarHBondContact O-N 2.97Å; N156-W160 PolarHBondContact O-N 3.07Å; N156-W160 VanDerWaalsContact O-N 3.08Å
157V85.8Confident85.2Confident4 Ų451.6 Ų51.62%0.02428%0.283CS..Hα-helixtrans-58.6-37.1178.567.50000112.9P31 P117 C119 C151 P154 T155 W160 H161P31-V157 HydrophobicContact CB-CG2 3.97Å; P117-V157 HydrophobicContact CB-CG2 3.94Å; P117-V157 HydrophobicContact CG-CG1 4.32Å; P117-V157 HydrophobicContact CG-CG2 4.32Å; C119-V157 HydrophobicContact CB-CG1 4.1Å; C151-V157 HydrophobicContact CB-CG1 4.09Å; P154-V157 HydrophobicContact CB-CB 4.48Å; P154-V157 HydrophobicContact CG-CB 3.87Å; P154-V157 HydrophobicContact CG-CG2 3.89Å; P154-V157 VanDerWaalsContact O-CB 3.3Å; P154-V157 WeakPolarHBondContact O-CB 3.31Å; P154-V157 WeakPolarHBondContact O-CG1 3.06Å; P154-V157 PolarHBondContact O-N 3.33Å; T155-V157 PolarHBondContact O-N 3.12Å; V157-W160 PolarHBondContact O-N 3.12Å; V157-H161 VanDerWaalsContact O-CB 3.22Å; V157-H161 WeakPolarHBondContact O-CB 3.08Å; V157-H161 PolarHBondContact O-N 2.72Å
158V86.8Confident85.7Confident4 Ų449.9 Ų49.92%0.02427%0.274CS..Hα-helixtrans-62-50.2-179.7-175.80000111.3P117 F136 Y141 W148 C151 N156 H161 L162P117-V158 HydrophobicContact CG-CG2 4.22Å; F136-V158 HydrophobicContact CE2-CG2 3.95Å; F136-V158 HydrophobicContact CZ-CG2 3.69Å; Y141-V158 HydrophobicContact CD2-CG1 3.6Å; Y141-V158 HydrophobicContact CE2-CG1 3.75Å; W148-V158 HydrophobicContact CB-CG2 4.49Å; W148-V158 HydrophobicContact CD2-CB 4.16Å; W148-V158 HydrophobicContact CD2-CG1 3.73Å; W148-V158 HydrophobicContact CE3-CB 4.42Å; W148-V158 HydrophobicContact CE3-CG1 4.32Å; W148-V158 HydrophobicContact CG-CB 4.26Å; W148-V158 HydrophobicContact CG-CG1 3.88Å; W148-V158 HydrophobicContact CZ2-CG1 4.18Å; C151-V158 HydrophobicContact CB-CG2 4.25Å; N156-V158 VanDerWaalsContact C-N 3.26Å; N156-V158 PolarHBondContact O-N 2.66Å; V158-H161 PolarHBondContact O-N 3.18Å; V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 PolarHBondContact O-N 3.36Å
159S88.1Confident86.1Confident61 Ų6148.4 Ų48.443%0.42727%0.271SS..Hα-helixtrans-64.4-41.3178.2-175.20000111.8N156 G163N156-S159 PolarHBondContact O-N 2.97Å; S159-G163 PolarHBondContact O-N 3.19Å
160W89.1Confident86.8Confident90 Ų9047 Ų4734%0.34127%0.265SS..Hα-helixtrans-60.8-51.2177-172.4-97.4000112.2L27 F30 N156 V157 L164L27-W160 HydrophobicContact CB-CZ2 4.01Å; L27-W160 HydrophobicContact CD2-CZ2 4.15Å; L27-W160 HydrophobicContact CG-CZ2 4.49Å; L27-W160 PolarHBondContact O-NE1 3.46Å; F30-W160 PolarHBondContact O-NE1 2.9Å; F30-W160 VanDerWaalsContact O-NE1 3.09Å; N156-W160 PolarHBondContact O-N 3.07Å; N156-W160 VanDerWaalsContact O-N 3.08Å; V157-W160 PolarHBondContact O-N 3.12Å; W160-L164 HydrophobicContact CD2-CD1 4.17Å; W160-L164 HydrophobicContact CG-CD1 4.2Å; W160-L164 HydrophobicContact CZ2-CD1 4.15Å; W160-L164 VanDerWaalsContact NE1-CD1 3.26Å; W160-L164 WeakPolarHBondContact O-CB 3.29Å; W160-L164 WeakPolarHBondContact O-CG 3.25Å; W160-L164 PolarHBondContact O-N 3.25Å
161H90.1Very high87.5Confident7 Ų743.9 Ų43.93%0.03225%0.25CS..Hα-helixtrans-62.5-51.6179.4-177.9-86.9000111.5A112 P117 V157 V158 G163 L164 F165A112-H161 PolarHBondContact O-CE1 3.49Å; P117-H161 HydrophobicContact CB-CB 3.85Å; P117-H161 HydrophobicContact CG-CB 4.02Å; V157-H161 VanDerWaalsContact O-CB 3.22Å; V157-H161 WeakPolarHBondContact O-CB 3.08Å; V157-H161 PolarHBondContact O-N 2.72Å; V158-H161 PolarHBondContact O-N 3.18Å; H161-G163 VanDerWaalsContact C-N 3.34Å; H161-G163 PolarHBondContact O-N 3.29Å; H161-L164 PolarHBondContact O-N 2.98Å; H161-F165 AromaticContact CD2-CD2 3.78Å; H161-F165 AromaticContact CD2-CE2 3.54Å; H161-F165 AromaticContact CE1-CD2 3.47Å; H161-F165 VanDerWaalsContact CE1-CD2 3.47Å; H161-F165 WeakPolarHBondContact CE1-CD2 3.49Å; H161-F165 AromaticContact CE1-CE2 3.61Å; H161-F165 AromaticContact CG-CD2 3.91Å; H161-F165 AromaticContact ND1-CD2 3.72Å; H161-F165 AromaticContact NE2-CD2 3.52Å; H161-F165 AromaticContact NE2-CE2 3.17Å; H161-F165 WeakPolarHBondContact NE2-CE2 3.5Å; H161-F165 WeakPolarHBondContact O-CB 3.32Å; H161-F165 WeakPolarHBondContact O-CD2 3.08Å; H161-F165 PolarHBondContact O-N 3.18Å
162L91Very high88.1Confident39 Ų3943.2 Ų43.220%0.20425%0.246CC..Hα-helixtrans-60.6-43.9179.3-177.562000111.5I113 L142 W148 V158 S166I113-L162 HydrophobicContact CG1-CD1 4.24Å; I113-L162 HydrophobicContact CG2-CD1 3.83Å; L142-L162 HydrophobicContact CD2-CD1 3.54Å; L142-L162 HydrophobicContact CD2-CD2 3.92Å; L142-L162 HydrophobicContact CD2-CG 4.39Å; W148-L162 HydrophobicContact CH2-CD2 4.48Å; W148-L162 HydrophobicContact CZ2-CD2 4.16Å; V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 PolarHBondContact O-N 3.36Å; L162-S166 WeakPolarHBondContact O-CB 3.34Å; L162-S166 PolarHBondContact O-N 3.39Å
163G92.4Very high88.9Confident36 Ų3642.6 Ų42.637%0.37125%0.247SC..Hα-helixtrans-62.7-50179.600000112.6S159 H161 S166 V167S159-G163 PolarHBondContact O-N 3.19Å; H161-G163 VanDerWaalsContact C-N 3.34Å; H161-G163 PolarHBondContact O-N 3.29Å; G163-S166 PolarHBondContact O-N 3.4Å; G163-V167 WeakPolarHBondContact O-CG2 3.36Å; G163-V167 PolarHBondContact O-N 3.08Å
164L91.8Very high89.9Confident20 Ų2042.7 Ų42.711%0.10525%0.249CC..Hα-helixtrans-66.4-44.4-178.4-70.1174000112.4C24 L27 L28 W160 H161 S166 V167 L168C24-L164 HydrophobicContact CB-CD2 4.08Å; L27-L164 HydrophobicContact CB-CD1 3.79Å; L27-L164 HydrophobicContact CB-CD2 4.22Å; L27-L164 HydrophobicContact CD1-CD2 4.21Å; L28-L164 HydrophobicContact CD1-CB 4.35Å; L28-L164 HydrophobicContact CD2-CB 3.76Å; L28-L164 HydrophobicContact CD2-CD1 3.86Å; L28-L164 HydrophobicContact CD2-CG 4.47Å; L28-L164 HydrophobicContact CG-CB 3.86Å; L28-L164 HydrophobicContact CG-CD1 3.86Å; W160-L164 HydrophobicContact CD2-CD1 4.17Å; W160-L164 HydrophobicContact CG-CD1 4.2Å; W160-L164 HydrophobicContact CZ2-CD1 4.15Å; W160-L164 VanDerWaalsContact NE1-CD1 3.26Å; W160-L164 WeakPolarHBondContact O-CB 3.29Å; W160-L164 WeakPolarHBondContact O-CG 3.25Å; W160-L164 PolarHBondContact O-N 3.25Å; H161-L164 PolarHBondContact O-N 2.98Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-V167 PolarHBondContact O-N 3.04Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.43Å
165F92.4Very high90.9Very high3 Ų342.6 Ų42.61%0.01325%0.248CC..Hα-helixtrans-68.2-32.8175.7-81.7-67000112.7L28 A112 I113 H161 L168 L169L28-F165 HydrophobicContact CD1-CD1 4.02Å; L28-F165 HydrophobicContact CD1-CD2 4.04Å; L28-F165 HydrophobicContact CD1-CE1 3.69Å; L28-F165 HydrophobicContact CD1-CE2 3.67Å; L28-F165 HydrophobicContact CD1-CG 4.2Å; L28-F165 HydrophobicContact CD1-CZ 3.51Å; L28-F165 HydrophobicContact CD2-CD2 3.75Å; L28-F165 HydrophobicContact CD2-CE2 3.51Å; L28-F165 HydrophobicContact CD2-CZ 4.19Å; L28-F165 HydrophobicContact CG-CE2 4.23Å; L28-F165 HydrophobicContact CG-CZ 4.46Å; A112-F165 HydrophobicContact CB-CD1 3.82Å; A112-F165 HydrophobicContact CB-CD2 3.85Å; A112-F165 HydrophobicContact CB-CE1 3.6Å; A112-F165 HydrophobicContact CB-CE2 3.66Å; A112-F165 HydrophobicContact CB-CG 3.93Å; A112-F165 HydrophobicContact CB-CZ 3.5Å; I113-F165 HydrophobicContact CD1-CB 4.01Å; I113-F165 HydrophobicContact CG1-CB 3.72Å; H161-F165 AromaticContact CD2-CD2 3.78Å; H161-F165 AromaticContact CD2-CE2 3.54Å; H161-F165 AromaticContact CE1-CD2 3.47Å; H161-F165 VanDerWaalsContact CE1-CD2 3.47Å; H161-F165 WeakPolarHBondContact CE1-CD2 3.49Å; H161-F165 AromaticContact CE1-CE2 3.61Å; H161-F165 AromaticContact CG-CD2 3.91Å; H161-F165 AromaticContact ND1-CD2 3.72Å; H161-F165 AromaticContact NE2-CD2 3.52Å; H161-F165 AromaticContact NE2-CE2 3.17Å; H161-F165 WeakPolarHBondContact NE2-CE2 3.5Å; H161-F165 WeakPolarHBondContact O-CB 3.32Å; H161-F165 WeakPolarHBondContact O-CD2 3.08Å; H161-F165 PolarHBondContact O-N 3.18Å; F165-L168 HydrophobicContact CD1-CD1 4.01Å; F165-L168 HydrophobicContact CE1-CD1 4.32Å; F165-L168 PolarHBondContact O-N 3.34Å; F165-L169 VanDerWaalsContact O-CB 3.31Å; F165-L169 WeakPolarHBondContact O-CB 3.27Å; F165-L169 PolarHBondContact O-N 2.89Å
166S93.6Very high91.7Very high62 Ų6240.7 Ų40.743%0.43423%0.234SC..Hα-helixtrans-65.3-39.4173.1-176.30000112L162 G163 L164 L169 A170L162-S166 WeakPolarHBondContact O-CB 3.34Å; L162-S166 PolarHBondContact O-N 3.39Å; G163-S166 PolarHBondContact O-N 3.4Å; L164-S166 VanDerWaalsContact C-N 3.34Å; S166-L169 PolarHBondContact O-N 3.35Å; S166-A170 WeakPolarHBondContact O-CB 3.37Å; S166-A170 PolarHBondContact O-N 3.32Å
167V94.3Very high92.4Very high60 Ų6038.9 Ų38.936%0.36423%0.228SC..Hα-helixtrans-65.2-45.4174.4172.10000110.2V20 G163 L164 L169 A170 M171V20-V167 HydrophobicContact CG1-CG1 4.11Å; G163-V167 WeakPolarHBondContact O-CG2 3.36Å; G163-V167 PolarHBondContact O-N 3.08Å; L164-V167 PolarHBondContact O-N 3.04Å; V167-L169 VanDerWaalsContact C-N 3.31Å; V167-L169 PolarHBondContact O-N 2.89Å; V167-A170 PolarHBondContact O-N 3.44Å; V167-M171 HydrophobicContact CG1-CG 4Å; V167-M171 WeakPolarHBondContact O-CB 3.44Å; V167-M171 WeakPolarHBondContact O-CG 3.36Å; V167-M171 PolarHBondContact O-N 3.34Å
168L93.2Very high92.7Very high2 Ų240.2 Ų40.21%0.0123%0.234CC..Hα-helixtrans-57.9-43.6175.6-73.1172.3000112.2C21 C24 L28 L164 F165 G172C21-L168 HydrophobicContact CB-CD2 3.89Å; C21-L168 WeakPolarHBondContact O-CD2 3.12Å; C24-L168 HydrophobicContact CB-CD2 3.96Å; C24-L168 HydrophobicContact CB-CG 4.03Å; L28-L168 HydrophobicContact CD1-CD1 3.65Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.43Å; F165-L168 HydrophobicContact CD1-CD1 4.01Å; F165-L168 HydrophobicContact CE1-CD1 4.32Å; F165-L168 PolarHBondContact O-N 3.34Å; L168-G172 PolarHBondContact O-N 2.83Å
169L94.8Very high92.9Very high42 Ų4240 Ų4022%0.2223%0.233CC..Hα-helixtrans-61.1-51.3176.7-174.8153.5000111.3C110 I113 F165 S166 V167 M171 G172 L173C110-L169 WeakPolarHBondContact SG-CD1 3.47Å; I113-L169 HydrophobicContact CD1-CD1 4.04Å; F165-L169 VanDerWaalsContact O-CB 3.31Å; F165-L169 WeakPolarHBondContact O-CB 3.27Å; F165-L169 PolarHBondContact O-N 2.89Å; S166-L169 PolarHBondContact O-N 3.35Å; V167-L169 VanDerWaalsContact C-N 3.31Å; V167-L169 PolarHBondContact O-N 2.89Å; L169-M171 PolarHBondContact O-N 3.49Å; L169-G172 PolarHBondContact O-N 2.85Å; L169-L173 HydrophobicContact CD2-CD1 3.68Å; L169-L173 HydrophobicContact CD2-CG 4.4Å; L169-L173 WeakPolarHBondContact O-CG 3.41Å; L169-L173 PolarHBondContact O-N 3.08Å
170A95.6Very high93.1Very high44 Ų4439.3 Ų39.336%0.36423%0.231SC..Hα-helixtrans-61.8-46.1-179.800000111.9S166 V167 L173 I174S166-A170 WeakPolarHBondContact O-CB 3.37Å; S166-A170 PolarHBondContact O-N 3.32Å; V167-A170 PolarHBondContact O-N 3.44Å; A170-L173 PolarHBondContact O-N 3.13Å; A170-I174 VanDerWaalsContact O-CG1 3.3Å; A170-I174 WeakPolarHBondContact O-CG1 3.48Å; A170-I174 PolarHBondContact O-N 3.3Å
171M93.6Very high93.2Very high35 Ų3537.3 Ų37.317%0.17223%0.229CC..Hα-helixtrans-67.1-40-179.6-63.5-65-94.500111.6L17 V20 C21 V167 L169 I174 Q175L17-M171 HydrophobicContact CB-CE 4.1Å; L17-M171 HydrophobicContact CD1-CE 4.12Å; L17-M171 HydrophobicContact CG-CE 3.55Å; L17-M171 HydrophobicContact CG-SD 4.14Å; V20-M171 HydrophobicContact CB-CE 3.87Å; V20-M171 HydrophobicContact CG1-CE 3.92Å; V20-M171 HydrophobicContact CG2-CE 4.27Å; C21-M171 VanDerWaalsContact SG-CB 3.59Å; V167-M171 HydrophobicContact CG1-CG 4Å; V167-M171 WeakPolarHBondContact O-CB 3.44Å; V167-M171 WeakPolarHBondContact O-CG 3.36Å; V167-M171 PolarHBondContact O-N 3.34Å; L169-M171 PolarHBondContact O-N 3.49Å; M171-I174 PolarHBondContact O-N 3.23Å; M171-I174 HydrophobicContact SD-CD1 4.35Å; M171-Q175 VanDerWaalsContact O-CG 3.31Å; M171-Q175 WeakPolarHBondContact O-CG 3.05Å; M171-Q175 PolarHBondContact O-N 3.47Å
172G94Very high93Very high0 Ų037 Ų370%023%0.227CC..Hα-helixtrans-61.5-42.7173.800000112.6L168 L169 I174 Q175 I176L168-G172 PolarHBondContact O-N 2.83Å; L169-G172 PolarHBondContact O-N 2.85Å; G172-I174 PolarHBondContact O-N 3.19Å; G172-Q175 WeakPolarHBondContact O-CB 3.16Å; G172-Q175 PolarHBondContact O-N 2.94Å; G172-I176 WeakPolarHBondContact O-CG1 3.02Å; G172-I176 PolarHBondContact O-N 3.38Å
173L95.6Very high93Very high84 Ų8437 Ų3744%0.4423%0.229SC..Hα-helixtrans-61.6-43.6174.3-70.9175.7000112V106 L169 A170 Q175 I176 V177V106-L173 HydrophobicContact CG1-CD2 4.17Å; V106-L173 HydrophobicContact CG2-CD2 4.24Å; V106-L173 HydrophobicContact CG2-CG 4.24Å; L169-L173 HydrophobicContact CD2-CD1 3.68Å; L169-L173 HydrophobicContact CD2-CG 4.4Å; L169-L173 WeakPolarHBondContact O-CG 3.41Å; L169-L173 PolarHBondContact O-N 3.08Å; A170-L173 PolarHBondContact O-N 3.13Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3.34Å; L173-I176 PolarHBondContact O-N 3.44Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 2.91Å
174I94.9Very high92.7Very high81 Ų8140 Ų4042%0.41524%0.235SC..Hα-helixtrans-62.3-42.6176.5-63.5163000110.4L17 A170 M171 G172 I176 V177 L178L17-I174 HydrophobicContact CD2-CB 3.99Å; L17-I174 HydrophobicContact CD2-CG2 3.58Å; A170-I174 VanDerWaalsContact O-CG1 3.3Å; A170-I174 WeakPolarHBondContact O-CG1 3.48Å; A170-I174 PolarHBondContact O-N 3.3Å; M171-I174 PolarHBondContact O-N 3.23Å; M171-I174 HydrophobicContact SD-CD1 4.35Å; G172-I174 PolarHBondContact O-N 3.19Å; I174-I176 VanDerWaalsContact C-N 3.35Å; I174-I176 PolarHBondContact O-N 2.93Å; I174-V177 PolarHBondContact O-N 3.5Å; I174-L178 HydrophobicContact CG2-CD1 3.95Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.27Å
175Q94.3Very high92.3Very high0 Ų040.8 Ų40.80%024%0.24CC..Hα-helixtrans-59.7-42.5176.2-73.6174-16.600112.4L14 L17 S54 M58 A102 M171 G172 L173 V177 L178 C179L14-Q175 HydrophobicContact CD2-CB 4.35Å; L14-Q175 HydrophobicContact CD2-CG 4.02Å; L17-Q175 HydrophobicContact CB-CG 4.33Å; L17-Q175 HydrophobicContact CD2-CG 3.94Å; S54-Q175 PolarHBondContact O-NE2 3.38Å; M58-Q175 HydrophobicContact CE-CB 3.71Å; M58-Q175 HydrophobicContact CE-CG 4.01Å; M58-Q175 HydrophobicContact CG-CG 4.39Å; M58-Q175 HydrophobicContact SD-CB 4.33Å; M58-Q175 HydrophobicContact SD-CG 4.31Å; A102-Q175 HydrophobicContact CB-CB 3.9Å; M171-Q175 VanDerWaalsContact O-CG 3.31Å; M171-Q175 WeakPolarHBondContact O-CG 3.05Å; M171-Q175 PolarHBondContact O-N 3.47Å; G172-Q175 WeakPolarHBondContact O-CB 3.16Å; G172-Q175 PolarHBondContact O-N 2.94Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3.34Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.26Å; Q175-L178 PolarHBondContact O-N 3.25Å; Q175-C179 WeakPolarHBondContact O-CB 3.45Å; Q175-C179 PolarHBondContact O-N 3.04Å; Q175-C179 PolarHBondContact O-SG 3.49Å
176I94.9Very high91.7Very high52 Ų5240.7 Ų40.727%0.26724%0.239SC..Hα-helixtrans-59.9-46.2175.7-67.7165.7000110.4A102 V106 G172 L173 I174 C179 A180A102-I176 HydrophobicContact CB-CD1 4.44Å; A102-I176 HydrophobicContact CB-CG1 3.74Å; V106-I176 HydrophobicContact CG2-CD1 4.13Å; G172-I176 WeakPolarHBondContact O-CG1 3.02Å; G172-I176 PolarHBondContact O-N 3.38Å; L173-I176 PolarHBondContact O-N 3.44Å; I174-I176 VanDerWaalsContact C-N 3.35Å; I174-I176 PolarHBondContact O-N 2.93Å; I176-C179 PolarHBondContact O-N 3.12Å; I176-A180 WeakPolarHBondContact O-CB 3.47Å; I176-A180 PolarHBondContact O-N 3.46Å
177V94.6Very high91.2Very high91 Ų9141.7 Ų41.755%0.55224%0.239SC*.Hα-helixtrans-61-48.1178.1173.20000110.9L173 I174 Q175 C179 A180 V181L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 2.91Å; I174-V177 PolarHBondContact O-N 3.5Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.26Å; V177-C179 VanDerWaalsContact C-N 3.33Å; V177-C179 PolarHBondContact O-N 3.28Å; V177-A180 PolarHBondContact O-N 2.96Å; V177-V181 WeakPolarHBondContact O-CG2 3.31Å; V177-V181 PolarHBondContact O-N 3.4Å
178L91.8Very high90.5Very high31 Ų3143.2 Ų43.216%0.16225%0.245CC..Hα-helixtrans-61.7-40.3179-66.5172.6000112L10 L14 L17 I174 Q175 V181 Q182L10-L178 HydrophobicContact CD2-CB 4.44Å; L10-L178 HydrophobicContact CD2-CD2 3.55Å; L14-L178 HydrophobicContact CD2-CB 4.03Å; L14-L178 HydrophobicContact CD2-CD1 3.71Å; L14-L178 HydrophobicContact CG-CD1 4.18Å; L17-L178 HydrophobicContact CD2-CD1 4.22Å; I174-L178 HydrophobicContact CG2-CD1 3.95Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.27Å; Q175-L178 PolarHBondContact O-N 3.25Å; L178-V181 PolarHBondContact O-N 3.49Å; L178-Q182 PolarHBondContact O-N 3.05Å; L178-Q182 VanDerWaalsContact O-N 3.1Å
179C91.7Very high89.5Confident0 Ų043.8 Ų43.80%025%0.251CS..Hα-helixtrans-64.8-42.6174.4-67.90000111.7A95 A99 Q175 I176 V177 V181 Q182 V183A95-C179 HydrophobicContact CB-CB 4.47Å; A99-C179 HydrophobicContact CB-CB 4.05Å; Q175-C179 WeakPolarHBondContact O-CB 3.45Å; Q175-C179 PolarHBondContact O-N 3.04Å; Q175-C179 PolarHBondContact O-SG 3.49Å; I176-C179 PolarHBondContact O-N 3.12Å; V177-C179 VanDerWaalsContact C-N 3.33Å; V177-C179 PolarHBondContact O-N 3.28Å; C179-V181 PolarHBondContact O-N 3.3Å; C179-Q182 WeakPolarHBondContact O-CB 3.35Å; C179-Q182 PolarHBondContact O-N 2.96Å; C179-Q182 VanDerWaalsContact O-N 3.16Å; C179-V183 WeakPolarHBondContact O-CG2 3.29Å; C179-V183 PolarHBondContact O-N 3.49Å
180A91.8Very high88.4Confident47 Ų4742.8 Ų42.839%0.38825%0.249SC..Hα-helixtrans-62-42.2177.700000112I176 V177 Q182 V183 I184I176-A180 WeakPolarHBondContact O-CB 3.47Å; I176-A180 PolarHBondContact O-N 3.46Å; V177-A180 PolarHBondContact O-N 2.96Å; A180-Q182 VanDerWaalsContact C-N 3.32Å; A180-Q182 PolarHBondContact O-N 2.59Å; A180-V183 PolarHBondContact O-N 3.18Å; A180-I184 WeakPolarHBondContact O-CG1 3.48Å; A180-I184 PolarHBondContact O-N 3.34Å
181V89.9Confident87.2Confident48 Ų4846.8 Ų46.829%0.29126%0.263SS..Hα-helixtrans-61.9-41.2174.8179.70000110.7F6 V177 L178 C179 V183 I184 N185F6-V181 HydrophobicContact CE1-CG1 3.49Å; F6-V181 VanDerWaalsContact CE1-CG1 3.49Å; F6-V181 HydrophobicContact CZ-CG1 3.76Å; V177-V181 WeakPolarHBondContact O-CG2 3.31Å; V177-V181 PolarHBondContact O-N 3.4Å; L178-V181 PolarHBondContact O-N 3.49Å; C179-V181 PolarHBondContact O-N 3.3Å; V181-V183 PolarHBondContact O-N 3.21Å; V181-I184 PolarHBondContact O-N 3.46Å; V181-N185 VanDerWaalsContact O-CG 3.31Å; V181-N185 PolarHBondContact O-N 3.43Å; V181-N185 PolarHBondContact O-ND2 3.46Å; V181-N185 VanDerWaalsContact O-ND2 3.15Å
182Q87.8Confident85.6Confident1 Ų149 Ų491%0.00528%0.281CS..Hα-helixtrans-63.5-40.1174.7-17967.414.300112.4L10 F65 S91 A95 L178 C179 A180 I184 N185 G186L10-Q182 HydrophobicContact CD1-CB 3.93Å; F65-Q182 HydrophobicContact CD1-CG 3.9Å; F65-Q182 HydrophobicContact CD2-CB 4.48Å; F65-Q182 HydrophobicContact CD2-CG 4.26Å; F65-Q182 HydrophobicContact CE1-CB 4.32Å; F65-Q182 HydrophobicContact CE1-CG 3.5Å; F65-Q182 VanDerWaalsContact CE1-CG 3.5Å; F65-Q182 HydrophobicContact CE2-CB 3.81Å; F65-Q182 HydrophobicContact CE2-CG 3.82Å; F65-Q182 HydrophobicContact CG-CG 4.32Å; F65-Q182 HydrophobicContact CZ-CB 3.76Å; F65-Q182 HydrophobicContact CZ-CG 3.46Å; F65-Q182 VanDerWaalsContact CZ-CG 3.46Å; S91-Q182 PolarHBondContact OG-NE2 3.01Å; A95-Q182 HydrophobicContact CB-CB 4.46Å; A95-Q182 HydrophobicContact CB-CG 4.38Å; L178-Q182 PolarHBondContact O-N 3.05Å; L178-Q182 VanDerWaalsContact O-N 3.1Å; C179-Q182 WeakPolarHBondContact O-CB 3.35Å; C179-Q182 PolarHBondContact O-N 2.96Å; C179-Q182 VanDerWaalsContact O-N 3.16Å; A180-Q182 VanDerWaalsContact C-N 3.32Å; A180-Q182 PolarHBondContact O-N 2.59Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.16Å; Q182-N185 PolarHBondContact O-N 3.42Å; Q182-G186 PolarHBondContact O-N 3.12Å
183V89.2Confident83.6Confident39 Ų3950.3 Ų50.324%0.23630%0.296CS..Hα-helixtrans-59-46.4176.2170.20000110.3I92 A95 C179 A180 V181 N185 G186 L187I92-V183 HydrophobicContact CG2-CG1 4.23Å; I92-V183 HydrophobicContact CG2-CG2 4.35Å; A95-V183 HydrophobicContact CB-CG2 3.77Å; C179-V183 WeakPolarHBondContact O-CG2 3.29Å; C179-V183 PolarHBondContact O-N 3.49Å; A180-V183 PolarHBondContact O-N 3.18Å; V181-V183 PolarHBondContact O-N 3.21Å; V183-N185 PolarHBondContact O-N 3.38Å; V183-G186 PolarHBondContact O-N 3.1Å; V183-L187 HydrophobicContact CG1-CD1 3.89Å; V183-L187 HydrophobicContact CG1-CG 4.39Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.2Å; V183-L187 PolarHBondContact O-N 3.45Å
184I87.5Confident81.2Confident97 Ų9750.1 Ų50.150%0.49730%0.295SS..Hα-helixtrans-60.2-47177-64.4165.6000110.6A180 V181 Q182 G186 L187 L188A180-I184 WeakPolarHBondContact O-CG1 3.48Å; A180-I184 PolarHBondContact O-N 3.34Å; V181-I184 PolarHBondContact O-N 3.46Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.16Å; I184-G186 PolarHBondContact O-N 2.92Å; I184-L187 PolarHBondContact O-N 3.41Å; I184-L188 HydrophobicContact CG2-CD1 3.97Å; I184-L188 HydrophobicContact CG2-CG 4.41Å; I184-L188 WeakPolarHBondContact O-CB 2.96Å; I184-L188 VanDerWaalsContact O-CG 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.35Å; I184-L188 PolarHBondContact O-N 3.39Å
185N82.9Confident78.7Confident38 Ų3851.1 Ų51.120%0.20331%0.308CS..Hα-helixtrans-65.3-38.6178.7-70.7-34.2000112.9F6 V181 Q182 V183 G189F6-N185 WeakPolarHBondContact CD1-ND2 3.27Å; F6-N185 WeakPolarHBondContact CE1-ND2 3.41Å; V181-N185 VanDerWaalsContact O-CG 3.31Å; V181-N185 PolarHBondContact O-N 3.43Å; V181-N185 PolarHBondContact O-ND2 3.46Å; V181-N185 VanDerWaalsContact O-ND2 3.15Å; Q182-N185 PolarHBondContact O-N 3.42Å; V183-N185 PolarHBondContact O-N 3.38Å; N185-G189 PolarHBondContact O-N 3.3Å
186G79.9Confident76.2Confident0 Ų056.9 Ų56.90%035%0.347CS..Hα-helixtrans-61.3-46.6174.600000111.3Q182 V183 I184 G189 A190Q182-G186 PolarHBondContact O-N 3.12Å; V183-G186 PolarHBondContact O-N 3.1Å; I184-G186 PolarHBondContact O-N 2.92Å; G186-G189 PolarHBondContact O-N 3.26Å; G186-A190 WeakPolarHBondContact O-CB 3.26Å; G186-A190 PolarHBondContact O-N 3.39Å
187L83Confident73.8Confident83 Ų8357.5 Ų57.544%0.43537%0.366SS..Hα-helixtrans-64.4-46.7177.8-71.4170.7000111.8I92 V183 I184 G189 A190 L191I92-L187 HydrophobicContact CD1-CD2 3.92Å; I92-L187 HydrophobicContact CD1-CG 4.04Å; V183-L187 HydrophobicContact CG1-CD1 3.89Å; V183-L187 HydrophobicContact CG1-CG 4.39Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.2Å; V183-L187 PolarHBondContact O-N 3.45Å; I184-L187 PolarHBondContact O-N 3.41Å; L187-G189 VanDerWaalsContact C-N 3.3Å; L187-G189 PolarHBondContact O-N 3.38Å; L187-A190 PolarHBondContact O-N 3.08Å; L187-L191 WeakPolarHBondContact O-CB 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 3.24Å
188L79.6Confident71Confident93 Ų9358.9 Ų58.949%0.48738%0.379SS..Hα-helixtrans-61.4-39.3175.6-70.9174000111.6I184 C192I184-L188 HydrophobicContact CG2-CD1 3.97Å; I184-L188 HydrophobicContact CG2-CG 4.41Å; I184-L188 WeakPolarHBondContact O-CB 2.96Å; I184-L188 VanDerWaalsContact O-CG 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.35Å; I184-L188 PolarHBondContact O-N 3.39Å; L188-C192 WeakPolarHBondContact O-CA 3.13Å; L188-C192 WeakPolarHBondContact O-CB 3.41Å; L188-C192 PolarHBondContact O-N 3.13Å
189G72.1Confident68.5Low14 Ų1463.4 Ų63.414%0.14441%0.412CS..Hα-helixtrans-72.7-26.9176.500000114.3N185 G186 L187 G193N185-G189 PolarHBondContact O-N 3.3Å; G186-G189 PolarHBondContact O-N 3.26Å; L187-G189 VanDerWaalsContact C-N 3.3Å; L187-G189 PolarHBondContact O-N 3.38Å; G189-G193 PolarHBondContact O-N 2.99Å
190A72.8Confident66Low21 Ų2167.3 Ų67.317%0.17445%0.452CS..Hα-helixtrans-76.7-40.3173.100000112.2G186 L187G186-A190 WeakPolarHBondContact O-CB 3.26Å; G186-A190 PolarHBondContact O-N 3.39Å; L187-A190 PolarHBondContact O-N 3.08Å
191L69.2Low63.6Low127 Ų12769 Ų6967%0.66547%0.474SS*.Hα-helixtrans-82.4-45.2-178.4-67170.7000112.9L187 G193L187-L191 WeakPolarHBondContact O-CB 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 3.24Å; L191-G193 VanDerWaalsContact C-N 3.32Å
192C59.3Low61.2Low81 Ų8169.8 Ų69.855%0.54749%0.491SS..G310 helixtrans-81.9-8.7178.4-63.50000113.3L188 D194 C195L188-C192 WeakPolarHBondContact O-CA 3.13Å; L188-C192 WeakPolarHBondContact O-CB 3.41Å; L188-C192 PolarHBondContact O-N 3.13Å; C192-D194 PolarHBondContact O-N 3.5Å; C192-C195 PolarHBondContact O-N 2.71Å
193G53.1Low58.9Low29 Ų2977.9 Ų77.930%0.29954%0.535SS..G310 helixtrans-66.6-21.5174.700000113.6G189 L191G189-G193 PolarHBondContact O-N 2.99Å; L191-G193 VanDerWaalsContact C-N 3.32Å
194D44.6Very low56.3Low80 Ų8079.4 Ų79.443%0.42856%0.558SS.*G310 helixtrans-80.7-21.4178.9-77.5-2.2000113.7R85 C192 C196 G197R85-D194 IonicContact CZ-OD1 3.21Å; R85-D194 IonicContact CZ-OD2 3.38Å; R85-D194 IonicContact NE-OD1 3.18Å; R85-D194 PolarHBondContact NE-OD1 3.13Å; R85-D194 IonicContact NE-OD2 3.96Å; R85-D194 IonicContact NH2-OD1 2.59Å; R85-D194 PolarHBondContact NH2-OD1 3Å; R85-D194 IonicContact NH2-OD2 2.66Å; R85-D194 PolarHBondContact NH2-OD2 3.34Å; C192-D194 PolarHBondContact O-N 3.5Å; D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 3.49Å; D194-G197 PolarHBondContact O-N 3.25Å
195C42Very low53.9Low101 Ų10179.5 Ų79.568%0.68257%0.573SS**G310 helixtrans-81.7-8-175.7-64.10000114.3C192C192-C195 PolarHBondContact O-N 2.71Å
196C42.8Very low51.6Low121 Ų12188.5 Ų88.582%0.81863%0.629SS**G310 helixtrans-101.39172.5-770000113.6D194D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 3.49Å
197G43.3Very low50.2Low66 Ų6692.9 Ų92.968%0.6866%0.66SS**SBendtrans-98.8-4.6174.800000115.2D194D194-G197 PolarHBondContact O-N 3.25Å
198C36.8Very low48.5Very low120 Ų12093.4 Ų93.481%0.81167%0.672SS**SBendtrans-104.97-179.8-77.50000114.8
199C39.1Very low46.8Very low126 Ų12693.4 Ų93.485%0.85168%0.683SS**SBendtrans-120.177.7170.9-65.60000109.6
200G39.2Very low45.3Very low82 Ų8298.1 Ų98.185%0.84571%0.714SS**  trans-179.727.5176.900000114.6
201G40.8Very low43.6Very low82 Ų82102.9 Ų102.985%0.84575%0.748SS**  trans-117.2113.3163.700000108.4
202G40.5Very low41.9Very low64 Ų64101.3 Ų101.366%0.6675%0.754SS**  trans117.692.9171.900000114.3
203D39.4Very low40.6Very low172 Ų172102.8 Ų102.892%0.9277%0.768SS**  162.7130.3105.9-83.5-17.3000114.2
204G34.2Very low39.7Very low70 Ų70108.5 Ų108.572%0.72280%0.804SS**  trans81.3112.6160.400000115.5
205A36.7Very low39.2Very low100 Ų100110.8 Ų110.883%0.82684%0.836SS**  cis43.87940.300000112.8
206V36.3Very low39Very low226 Ų226111.7 Ų111.7100%1.3785%0.85SS**  -168.70119.3-88.30000110

Retrieved 206 of 206 residues in 36.3 ms (Link to these results)