A0A060YHC1_ONCMY Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB (A0A1S3MXV0), UniProt , Accession A0A060YHC1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene CLDN20, Length 241 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
1M50.5Low82.1Confident227 Ų22773.7 Ų73.7100%1.11840%0.396SS*.  0130.10-62.4-173-164.400106.6
2A60Low83.2Confident18 Ų1874.6 Ų74.615%0.14940%0.399CS..  trans-63.1140.7175.600000111.1M6 K103 S184A2-M6 HydrophobicContact CB-CB 4.47Å; A2-M6 HydrophobicContact CB-SD 4.44Å; A2-K103 PolarHBondContact O-NZ 2.87Å; A2-S184 WeakPolarHBondContact CB-OG 3.28Å
3S78.3Confident84.2Confident60 Ų6070.2 Ų70.242%0.4238%0.375SS..  trans-64.8150.9176.566.20000110.1C5 M6 Q7S3-C5 PolarHBondContact O-N 3.23Å; S3-M6 PolarHBondContact O-N 3.34Å; S3-M6 VanDerWaalsContact O-N 3.1Å; S3-M6 WeakPolarHBondContact OG-CG 3.48Å; S3-M6 PolarHBondContact OG-N 3.34Å; S3-Q7 PolarHBondContact O-N 3.14Å
4T81.9Confident85Confident63 Ų6365.1 Ų65.139%0.38735%0.348SS..Hα-helixtrans-56.3-34.3176-53.30000111.4Q7 I8T4-Q7 PolarHBondContact O-N 3.31Å; T4-I8 HydrophobicContact CG2-CD1 3.96Å; T4-I8 HydrophobicContact CG2-CG1 4.5Å; T4-I8 WeakPolarHBondContact O-CG1 3.29Å; T4-I8 PolarHBondContact O-N 3.14Å
5C85.6Confident85.8Confident94 Ų9465.2 Ų65.264%0.63535%0.348SS*.Hα-helixtrans-58.6-46.3174.7-179.40000112.6S3 Q7 I8 F9S3-C5 PolarHBondContact O-N 3.23Å; C5-Q7 VanDerWaalsContact C-N 3.33Å; C5-Q7 PolarHBondContact O-N 3.45Å; C5-I8 PolarHBondContact O-N 3.18Å; C5-F9 WeakPolarHBondContact O-CB 3.4Å; C5-F9 PolarHBondContact O-N 3.47Å
6M87.6Confident86.5Confident107 Ų10766.8 Ų66.853%0.52736%0.356SS..Hα-helixtrans-62.8-38.3177.4-75.5176.7175.400112.6A2 S3 A10A2-M6 HydrophobicContact CB-CB 4.47Å; A2-M6 HydrophobicContact CB-SD 4.44Å; S3-M6 PolarHBondContact O-N 3.34Å; S3-M6 VanDerWaalsContact O-N 3.1Å; S3-M6 WeakPolarHBondContact OG-CG 3.48Å; S3-M6 PolarHBondContact OG-N 3.34Å; M6-A10 WeakPolarHBondContact O-CB 3.47Å; M6-A10 PolarHBondContact O-N 3.49Å
7Q88.4Confident87.1Confident6 Ų662.9 Ų62.93%0.02834%0.335CS..Hα-helixtrans-66.9-40.3176.8-73.1-173.2-3300112.2S3 T4 C5 F11S3-Q7 PolarHBondContact O-N 3.14Å; T4-Q7 PolarHBondContact O-N 3.31Å; C5-Q7 VanDerWaalsContact C-N 3.33Å; C5-Q7 PolarHBondContact O-N 3.45Å; Q7-F11 WeakPolarHBondContact O-CB 3.37Å; Q7-F11 PolarHBondContact O-N 3.04Å
8I90.4Very high87.6Confident76 Ų7660.9 Ų60.939%0.3932%0.324SS..Hα-helixtrans-66.3-45.1176.6-66.8165.9000110.3T4 C5 A10 F11 I12T4-I8 HydrophobicContact CG2-CD1 3.96Å; T4-I8 HydrophobicContact CG2-CG1 4.5Å; T4-I8 WeakPolarHBondContact O-CG1 3.29Å; T4-I8 PolarHBondContact O-N 3.14Å; C5-I8 PolarHBondContact O-N 3.18Å; I8-A10 PolarHBondContact O-N 3.35Å; I8-F11 WeakPolarHBondContact O-CB 3.32Å; I8-F11 PolarHBondContact O-N 3.39Å; I8-F11 VanDerWaalsContact O-N 3.16Å; I8-I12 HydrophobicContact CG2-CD1 3.98Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.4Å
9F92.8Very high88Confident112 Ų11263.8 Ų63.849%0.49134%0.337SS..Hα-helixtrans-59.3-46177-179.4-106.6000111.8C5 F11 I12 L13 I180C5-F9 WeakPolarHBondContact O-CB 3.4Å; C5-F9 PolarHBondContact O-N 3.47Å; F9-F11 VanDerWaalsContact C-N 3.29Å; F9-F11 PolarHBondContact O-N 3.01Å; F9-I12 PolarHBondContact O-N 3.39Å; F9-L13 HydrophobicContact CD1-CD1 3.9Å; F9-L13 HydrophobicContact CD1-CG 4.41Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CE1-CG 4.05Å; F9-L13 HydrophobicContact CE2-CG 4.43Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 HydrophobicContact CZ-CD2 4.19Å; F9-L13 HydrophobicContact CZ-CG 4.05Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.12Å; F9-I180 HydrophobicContact CD1-CD1 4.28Å; F9-I180 HydrophobicContact CE1-CD1 4.48Å
10A93.3Very high88.4Confident0 Ų061.3 Ų61.30%033%0.327CS..Hα-helixtrans-60.9-37.6175.500000112.8M6 I8 L13 A14 I180 F181M6-A10 WeakPolarHBondContact O-CB 3.47Å; M6-A10 PolarHBondContact O-N 3.49Å; I8-A10 PolarHBondContact O-N 3.35Å; A10-L13 PolarHBondContact O-N 3.49Å; A10-A14 WeakPolarHBondContact O-CB 3.24Å; A10-A14 PolarHBondContact O-N 3.26Å; A10-I180 HydrophobicContact CB-CB 3.8Å; A10-I180 HydrophobicContact CB-CD1 4.31Å; A10-I180 HydrophobicContact CB-CG2 3.64Å; A10-F181 HydrophobicContact CB-CD2 4.03Å; A10-F181 HydrophobicContact CB-CE2 3.79Å; A10-F181 HydrophobicContact CB-CZ 4.27Å
11F93.8Very high88.7Confident48 Ų4858.4 Ų58.421%0.21131%0.312CS..Hα-helixtrans-65.3-42.9175.9-173.4-101.6000111.9Q7 I8 F9 A14 L15 L95 A98 L102 F181Q7-F11 WeakPolarHBondContact O-CB 3.37Å; Q7-F11 PolarHBondContact O-N 3.04Å; I8-F11 WeakPolarHBondContact O-CB 3.32Å; I8-F11 PolarHBondContact O-N 3.39Å; I8-F11 VanDerWaalsContact O-N 3.16Å; F9-F11 VanDerWaalsContact C-N 3.29Å; F9-F11 PolarHBondContact O-N 3.01Å; F11-A14 PolarHBondContact O-N 3.24Å; F11-L15 HydrophobicContact CD1-CD1 3.87Å; F11-L15 HydrophobicContact CD1-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.55Å; F11-L15 HydrophobicContact CE1-CG 4.13Å; F11-L15 HydrophobicContact CZ-CD1 4.28Å; F11-L15 HydrophobicContact CZ-CG 4.46Å; F11-L15 WeakPolarHBondContact O-CG 3.43Å; F11-L15 PolarHBondContact O-N 3.19Å; F11-L95 HydrophobicContact CD2-CD1 4.25Å; F11-L95 HydrophobicContact CE2-CD1 3.51Å; F11-L95 HydrophobicContact CZ-CD1 3.87Å; F11-A98 HydrophobicContact CD2-CB 4.3Å; F11-A98 HydrophobicContact CE2-CB 4.47Å; F11-L102 HydrophobicContact CD2-CD1 4.13Å; F11-L102 HydrophobicContact CG-CD2 4.49Å; F11-F181 HydrophobicContact CB-CZ 4.16Å; F11-F181 HydrophobicContact CD2-CZ 4.4Å
12I95.4Very high90.8Very high84 Ų8452.4 Ų52.443%0.43128%0.283SS..Hα-helixtrans-62.9-45.2175.6-65.6166.6000110.7I8 F9 A14 L15 L16I8-I12 HydrophobicContact CG2-CD1 3.98Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.4Å; F9-I12 PolarHBondContact O-N 3.39Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 3.45Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 PolarHBondContact O-N 2.86Å; I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 WeakPolarHBondContact O-CG 3.36Å; I12-L16 PolarHBondContact O-N 3.24Å
13L95.9Very high92.5Very high17 Ų1754.6 Ų54.69%0.08929%0.294CS..Hα-helixtrans-59.9-42.8175.6-71.7-179.3000111.9F9 A10 L15 L16 G17 F173 V176 I180F9-L13 HydrophobicContact CD1-CD1 3.9Å; F9-L13 HydrophobicContact CD1-CG 4.41Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CE1-CG 4.05Å; F9-L13 HydrophobicContact CE2-CG 4.43Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 HydrophobicContact CZ-CD2 4.19Å; F9-L13 HydrophobicContact CZ-CG 4.05Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.49Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 3.14Å; L13-G17 PolarHBondContact O-N 3.33Å; L13-F173 HydrophobicContact CD2-CD1 3.91Å; L13-F173 HydrophobicContact CD2-CE1 4.37Å; L13-V176 HydrophobicContact CD1-CB 4.23Å; L13-V176 HydrophobicContact CD1-CG1 3.58Å; L13-I180 HydrophobicContact CD1-CD1 4.46Å
14A95.9Very high93.1Very high0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-61.9-41.8176.400000111.8A10 F11 I12 G17 I18 F125A10-A14 WeakPolarHBondContact O-CB 3.24Å; A10-A14 PolarHBondContact O-N 3.26Å; F11-A14 PolarHBondContact O-N 3.24Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 3.45Å; A14-G17 PolarHBondContact O-N 2.92Å; A14-I18 WeakPolarHBondContact O-CD1 3.13Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.31Å; A14-I18 PolarHBondContact O-N 3.03Å; A14-F125 HydrophobicContact CB-CD1 4.5Å; A14-F125 HydrophobicContact CB-CD2 4.26Å; A14-F125 HydrophobicContact CB-CE1 4.01Å; A14-F125 HydrophobicContact CB-CE2 3.73Å; A14-F125 HydrophobicContact CB-CZ 3.59Å
15L96.4Very high93.6Very high66 Ų6649.2 Ų49.235%0.34626%0.258SS..Hα-helixtrans-61-47.6174.7-73.5174.1000112.1F11 I12 L13 G17 I18 M19 L95F11-L15 HydrophobicContact CD1-CD1 3.87Å; F11-L15 HydrophobicContact CD1-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.55Å; F11-L15 HydrophobicContact CE1-CG 4.13Å; F11-L15 HydrophobicContact CZ-CD1 4.28Å; F11-L15 HydrophobicContact CZ-CG 4.46Å; F11-L15 WeakPolarHBondContact O-CG 3.43Å; F11-L15 PolarHBondContact O-N 3.19Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 PolarHBondContact O-N 2.86Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.45Å; L15-G17 VanDerWaalsContact C-N 3.29Å; L15-G17 PolarHBondContact O-N 3.05Å; L15-I18 PolarHBondContact O-N 3.46Å; L15-M19 VanDerWaalsContact O-CG 3.31Å; L15-M19 WeakPolarHBondContact O-CG 3.2Å; L15-M19 PolarHBondContact O-N 3.12Å; L15-L95 HydrophobicContact CD2-CD1 3.63Å; L15-L95 HydrophobicContact CD2-CD2 3.8Å; L15-L95 HydrophobicContact CD2-CG 4.38Å; L15-L95 HydrophobicContact CG-CD1 4.25Å
16L97.1Very high93.8Very high91 Ų9149.8 Ų49.848%0.47626%0.255SS..Hα-helixtrans-61.2-40.3176.4-68.5175000111.6I12 L13 M19 G20 F173I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 WeakPolarHBondContact O-CG 3.36Å; I12-L16 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 3.14Å; L16-M19 PolarHBondContact O-N 3.38Å; L16-G20 PolarHBondContact O-N 3.3Å; L16-F173 HydrophobicContact CB-CD2 4.23Å
17G96.6Very high93.9Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-58.6-50.8173.700000112.2L13 A14 L15 M19 G20 A21 S170L13-G17 PolarHBondContact O-N 3.33Å; A14-G17 PolarHBondContact O-N 2.92Å; L15-G17 VanDerWaalsContact C-N 3.29Å; L15-G17 PolarHBondContact O-N 3.05Å; G17-M19 PolarHBondContact O-N 3.34Å; G17-G20 PolarHBondContact O-N 3.44Å; G17-A21 PolarHBondContact O-N 3.11Å; G17-S170 PolarHBondContact O-OG 2.84Å
18I96.6Very high93.8Very high28 Ų2848.3 Ų48.314%0.14425%0.25CS..Hα-helixtrans-60.6-46.7178.9-66.2160.3000111.3A14 L15 G20 A21 M22 A91 L95 F125 L174A14-I18 WeakPolarHBondContact O-CD1 3.13Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.31Å; A14-I18 PolarHBondContact O-N 3.03Å; L15-I18 PolarHBondContact O-N 3.46Å; I18-G20 VanDerWaalsContact C-N 3.33Å; I18-G20 PolarHBondContact O-N 3.11Å; I18-A21 PolarHBondContact O-N 3.45Å; I18-M22 WeakPolarHBondContact O-CB 3.3Å; I18-M22 PolarHBondContact O-N 3.46Å; I18-A91 HydrophobicContact CD1-CB 4.47Å; I18-A91 HydrophobicContact CG1-CB 3.7Å; I18-L95 HydrophobicContact CD1-CB 3.75Å; I18-L95 HydrophobicContact CD1-CD1 4.06Å; I18-L95 HydrophobicContact CD1-CD2 3.85Å; I18-L95 HydrophobicContact CD1-CG 4.09Å; I18-F125 HydrophobicContact CD1-CE1 4.09Å; I18-L174 HydrophobicContact CG1-CD2 4.17Å
19M96.4Very high93.6Very high115 Ų11547.2 Ų47.257%0.56725%0.245SC*.Hα-helixtrans-61-44.2178.4-68.8-60.3-67.200111L15 L16 G17 A21 M22 V23L15-M19 VanDerWaalsContact O-CG 3.31Å; L15-M19 WeakPolarHBondContact O-CG 3.2Å; L15-M19 PolarHBondContact O-N 3.12Å; L16-M19 PolarHBondContact O-N 3.38Å; G17-M19 PolarHBondContact O-N 3.34Å; M19-A21 PolarHBondContact O-N 3.33Å; M19-M22 PolarHBondContact O-N 3.23Å; M19-V23 WeakPolarHBondContact O-CB 3.45Å; M19-V23 VanDerWaalsContact O-CG2 3.25Å; M19-V23 WeakPolarHBondContact O-CG2 3.44Å; M19-V23 PolarHBondContact O-N 3.18Å
20G94.9Very high93.3Very high13 Ų1342 Ų4213%0.13422%0.222CC..Hα-helixtrans-60.4-42.6174.800000113L16 G17 I18 M22 V23 A24 V166L16-G20 PolarHBondContact O-N 3.3Å; G17-G20 PolarHBondContact O-N 3.44Å; I18-G20 VanDerWaalsContact C-N 3.33Å; I18-G20 PolarHBondContact O-N 3.11Å; G20-M22 VanDerWaalsContact C-N 3.35Å; G20-M22 PolarHBondContact O-N 3.46Å; G20-V23 PolarHBondContact O-N 3.32Å; G20-A24 VanDerWaalsContact O-CB 3.31Å; G20-A24 WeakPolarHBondContact O-CB 3.39Å; G20-A24 PolarHBondContact O-N 2.79Å; G20-V166 WeakPolarHBondContact O-CG1 3.08Å
21A94.8Very high92.9Very high1 Ų143.3 Ų43.31%0.00823%0.228CC..Hα-helixtrans-64.9-39.917800000111.6G17 I18 M19 T25 S170G17-A21 PolarHBondContact O-N 3.11Å; I18-A21 PolarHBondContact O-N 3.45Å; M19-A21 PolarHBondContact O-N 3.33Å; A21-T25 WeakPolarHBondContact O-CB 3.35Å; A21-T25 PolarHBondContact O-N 3.45Å; A21-T25 PolarHBondContact O-OG1 3.03Å; A21-S170 WeakPolarHBondContact CA-OG 3.44Å; A21-S170 WeakPolarHBondContact CB-OG 3.32Å; A21-S170 PolarHBondContact N-OG 3.39Å
22M94.9Very high92.3Very high102 Ų10242.2 Ų42.250%0.50223%0.225SC..Hα-helixtrans-65.4-46.9176.5-169.5174.5-173.400111.3I18 M19 G20 T25 L26I18-M22 WeakPolarHBondContact O-CB 3.3Å; I18-M22 PolarHBondContact O-N 3.46Å; M19-M22 PolarHBondContact O-N 3.23Å; G20-M22 VanDerWaalsContact C-N 3.35Å; G20-M22 PolarHBondContact O-N 3.46Å; M22-T25 PolarHBondContact O-N 2.95Å; M22-L26 HydrophobicContact CE-CD1 4.48Å; M22-L26 HydrophobicContact CG-CD1 4.23Å; M22-L26 WeakPolarHBondContact O-CG 3.34Å; M22-L26 PolarHBondContact O-N 3.12Å
23V94.4Very high91.3Very high63 Ų6338.5 Ų38.538%0.38221%0.206SC..Hα-helixtrans-60.4-48.1176170.90000110.6M19 G20 T25 L26 L27 V166M19-V23 WeakPolarHBondContact O-CB 3.45Å; M19-V23 VanDerWaalsContact O-CG2 3.25Å; M19-V23 WeakPolarHBondContact O-CG2 3.44Å; M19-V23 PolarHBondContact O-N 3.18Å; G20-V23 PolarHBondContact O-N 3.32Å; V23-T25 VanDerWaalsContact C-N 3.26Å; V23-T25 PolarHBondContact O-N 3.39Å; V23-L26 PolarHBondContact O-N 3.02Å; V23-L26 VanDerWaalsContact O-N 3.17Å; V23-L27 HydrophobicContact CG1-CD1 3.69Å; V23-L27 HydrophobicContact CG1-CD2 4.42Å; V23-L27 WeakPolarHBondContact O-CB 3.22Å; V23-L27 PolarHBondContact O-N 3.24Å; V23-V166 HydrophobicContact CG1-CG1 4.47Å
24A92.9Very high89.8Confident0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-59.8-36.9176.800000112.1G20 W30 M84 V166 A167G20-A24 VanDerWaalsContact O-CB 3.31Å; G20-A24 WeakPolarHBondContact O-CB 3.39Å; G20-A24 PolarHBondContact O-N 2.79Å; A24-W30 HydrophobicContact CB-CZ2 4.38Å; A24-W30 PolarHBondContact O-NE1 3Å; A24-M84 HydrophobicContact CB-CE 3.91Å; A24-V166 HydrophobicContact CB-CB 4.47Å; A24-V166 HydrophobicContact CB-CG1 4.25Å; A24-A167 HydrophobicContact CB-CB 4.07Å
25T91.8Very high88.2Confident11 Ų1142.6 Ų42.67%0.06723%0.234CC..Hα-helixtrans-67.6-37177.5-57.30000112.3A21 M22 V23 W51 M84A21-T25 WeakPolarHBondContact O-CB 3.35Å; A21-T25 PolarHBondContact O-N 3.45Å; A21-T25 PolarHBondContact O-OG1 3.03Å; M22-T25 PolarHBondContact O-N 2.95Å; V23-T25 VanDerWaalsContact C-N 3.26Å; V23-T25 PolarHBondContact O-N 3.39Å; T25-W51 PolarHBondContact O-NE1 2.77Å; T25-W51 VanDerWaalsContact O-NE1 3.11Å; T25-M84 HydrophobicContact CG2-CB 4.29Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å
26L90.2Very high86.2Confident106 Ų10644.1 Ų44.156%0.55525%0.246SC*.Hα-helixtrans-87.2-27.1-176.2-65.2174.2000113.6M22 V23M22-L26 HydrophobicContact CE-CD1 4.48Å; M22-L26 HydrophobicContact CG-CD1 4.23Å; M22-L26 WeakPolarHBondContact O-CG 3.34Å; M22-L26 PolarHBondContact O-N 3.12Å; V23-L26 PolarHBondContact O-N 3.02Å; V23-L26 VanDerWaalsContact O-N 3.17Å
27L89.3Confident83.9Confident56 Ų5641.2 Ų41.229%0.29324%0.238SC..  trans-66.2135.1-176-112.165.1000112.1V23 N29 A163V23-L27 HydrophobicContact CG1-CD1 3.69Å; V23-L27 HydrophobicContact CG1-CD2 4.42Å; V23-L27 WeakPolarHBondContact O-CB 3.22Å; V23-L27 PolarHBondContact O-N 3.24Å; L27-N29 PolarHBondContact O-N 3.26Å; L27-A163 HydrophobicContact CB-CB 3.99Å; L27-A163 HydrophobicContact CD2-CB 4.43Å
28P85.4Confident81.7Confident26 Ų2646.8 Ų46.817%0.16928%0.277CS..SBendtrans-77.54.2173.330-33.6000114.1W30 Q48 G49 M52P28-W30 PolarHBondContact O-N 3.05Å; P28-Q48 CarbonylContact O-C 3.48Å; P28-Q48 VanDerWaalsContact O-O 3.1Å; P28-G49 VanDerWaalsContact O-CA 3.25Å; P28-G49 WeakPolarHBondContact O-CA 3.26Å; P28-G49 PolarHBondContact O-N 3.23Å; P28-G49 VanDerWaalsContact O-N 3.09Å; P28-M52 HydrophobicContact CB-CG 4.06Å; P28-M52 HydrophobicContact CB-SD 4.32Å; P28-M52 HydrophobicContact CG-SD 4.43Å
29N86.8Confident79.4Confident53 Ų5351.3 Ų51.328%0.28330%0.301SS..  trans-101.154.7-170.7-69.9-49.5000112.7L27 M47 G161 G162 A163L27-N29 PolarHBondContact O-N 3.26Å; N29-M47 PolarHBondContact OD1-SD 3.05Å; N29-G161 CarbonylContact O-C 3.59Å; N29-G161 WeakPolarHBondContact O-CA 3.45Å; N29-G162 PolarHBondContact O-N 3.26Å; N29-A163 WeakPolarHBondContact O-CB 3.43Å; N29-A163 PolarHBondContact O-N 3.44Å
30W87.6Confident77.3Confident1 Ų154 Ų540%0.00432%0.316CS..SBendtrans-87.2-41.3176.5-83.674000112.4A24 P28 Q48 L50 M84 P135 F139 G161 A163 V164 A167A24-W30 HydrophobicContact CB-CZ2 4.38Å; A24-W30 PolarHBondContact O-NE1 3Å; P28-W30 PolarHBondContact O-N 3.05Å; W30-Q48 PolarHBondContact N-O 3.33Å; W30-L50 HydrophobicContact CD2-CD1 3.83Å; W30-L50 HydrophobicContact CE3-CD1 4.23Å; W30-L50 HydrophobicContact CG-CD1 4.11Å; W30-L50 HydrophobicContact CZ2-CD1 4.35Å; W30-M84 HydrophobicContact CH2-CE 3.9Å; W30-M84 HydrophobicContact CH2-CG 4.38Å; W30-M84 HydrophobicContact CH2-SD 3.93Å; W30-M84 HydrophobicContact CZ2-CE 3.57Å; W30-M84 HydrophobicContact CZ2-CG 4.41Å; W30-M84 HydrophobicContact CZ2-SD 4.16Å; W30-P135 HydrophobicContact CH2-CB 4.44Å; W30-P135 HydrophobicContact CZ3-CB 4.41Å; W30-F139 HydrophobicContact CB-CE1 4.35Å; W30-F139 HydrophobicContact CD2-CE2 4.45Å; W30-F139 HydrophobicContact CE3-CB 4.25Å; W30-F139 HydrophobicContact CE3-CD1 4.24Å; W30-F139 AromaticContact CE3-CD2 3.39Å; W30-F139 HydrophobicContact CE3-CD2 3.39Å; W30-F139 HydrophobicContact CE3-CE1 4.47Å; W30-F139 AromaticContact CE3-CE2 3.68Å; W30-F139 HydrophobicContact CE3-CE2 3.68Å; W30-F139 AromaticContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CZ 4.22Å; W30-F139 AromaticContact CZ3-CD2 3.56Å; W30-F139 HydrophobicContact CZ3-CD2 3.56Å; W30-F139 HydrophobicContact CZ3-CE2 4.01Å; W30-F139 HydrophobicContact CZ3-CG 4.18Å; W30-G161 PolarHBondContact O-N 3.02Å; W30-G161 VanDerWaalsContact O-N 3.11Å; W30-A163 HydrophobicContact CD2-CB 4.31Å; W30-A163 HydrophobicContact CG-CB 4.05Å; W30-V164 HydrophobicContact CD2-CG2 4.43Å; W30-V164 HydrophobicContact CE3-CG2 3.8Å; W30-V164 HydrophobicContact CZ3-CG2 4.3Å; W30-V164 VanDerWaalsContact O-CG2 3.32Å; W30-V164 WeakPolarHBondContact O-CG2 3.34Å; W30-A167 HydrophobicContact CH2-CB 4.21Å
31K83.3Confident75.6Confident29 Ų2960.8 Ų60.813%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-135141.8171.159.1176.5135.5162.40109.4Q48 Y76 F158K31-Q48 HydrophobicContact CD-CB 3.96Å; K31-Q48 HydrophobicContact CD-CG 4.42Å; K31-Q48 HydrophobicContact CG-CB 3.56Å; K31-Q48 HydrophobicContact CG-CG 4.28Å; K31-Q48 PolarHBondContact N-O 3.37Å; K31-Q48 VanDerWaalsContact N-O 3.16Å; K31-Q48 PolarHBondContact O-N 2.88Å; K31-Y76 PolarHBondContact NZ-OH 3.47Å; K31-F158 HydrophobicContact CB-CD1 4.45Å; K31-F158 HydrophobicContact CD-CD1 4.11Å; K31-F158 HydrophobicContact CD-CE1 4.21Å
32V82.6Confident73.8Confident24 Ų2464.4 Ų64.415%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-121.4130.9-178.3179.20000108M47 F158 E159V32-M47 HydrophobicContact CB-SD 4.05Å; V32-M47 HydrophobicContact CG1-CE 3.46Å; V32-M47 VanDerWaalsContact CG1-CE 3.46Å; V32-M47 HydrophobicContact CG1-SD 3.57Å; V32-M47 VanDerWaalsContact CG1-SD 3.57Å; V32-M47 HydrophobicContact CG2-SD 3.51Å; V32-M47 VanDerWaalsContact CG2-SD 3.51Å; V32-F158 CarbonylContact O-C 3.57Å; V32-F158 WeakPolarHBondContact O-CA 3.19Å; V32-E159 HydrophobicContact CB-CB 4.48Å; V32-E159 PolarHBondContact N-O 3.35Å; V32-E159 PolarHBondContact O-N 3.35Å
33S73.2Confident72.2Confident6 Ų662.4 Ų62.44%0.04237%0.37CS..EExtended strand (participates in β ladder)trans-121.7125170.2-57.90000108.7Q46 F158S33-Q46 PolarHBondContact N-O 3.37Å; S33-Q46 PolarHBondContact O-N 3.22Å; S33-F158 WeakPolarHBondContact OG-CD1 3.15Å; S33-F158 WeakPolarHBondContact OG-CE1 3.15Å
34A65.2Low71.2Confident40 Ų4061.2 Ų61.233%0.33136%0.361SS..EExtended strand (participates in β ladder)trans-96.397.1164.800000107.2V36A34-V36 PolarHBondContact O-N 3.08Å
35D61.9Low70.4Confident64 Ų6463.4 Ų63.434%0.34238%0.376SS..EExtended strand (participates in β ladder)trans-74.3101.3172-163.5-64.1000107.6G37 I44D35-G37 PolarHBondContact OD1-N 3.38Å; D35-I44 PolarHBondContact N-O 2.97Å
36V54.2Low69.9Low98 Ų9866.5 Ų66.559%0.59439%0.39SS*.  trans-102.756.1167.9-690000108.3A34 S155A34-V36 PolarHBondContact O-N 3.08Å; V36-S155 PolarHBondContact O-OG 3.15Å
37G49.6Very low69.7Low30 Ų3063.2 Ų63.231%0.30937%0.372SS..  trans-59.4150.1169.400000111.5D35 N39D35-G37 PolarHBondContact OD1-N 3.38Å; G37-N39 PolarHBondContact O-N 3.47Å
38S50.7Low69.5Low116 Ų11662.6 Ų62.681%0.81137%0.368SS*.SBendtrans-61.213.8-179.6550000116
39N48.3Very low69.6Low123 Ų12361.4 Ų61.466%0.65836%0.36SS*.  trans-9996.1168.8-71.8-69.6000108.3G37 I41G37-N39 PolarHBondContact O-N 3.47Å; N39-I41 PolarHBondContact O-N 2.86Å
40I52.4Low69.5Low172 Ų17258.9 Ų58.988%0.88235%0.347SS*.THydrogen-bonded Turntrans-55-5.2-176.4-66.8160.4000114.2
41I58.1Low69.5Low155 Ų15563.2 Ų63.280%0.79536%0.363SS*.THydrogen-bonded Turntrans-94.1-18.4-167-63.5164.1000113.3N39N39-I41 PolarHBondContact O-N 2.86Å
42T57.4Low69.6Low77 Ų7764.8 Ų64.847%0.47237%0.372SS..  trans-147.396175.556.50000113.2I44T42-I44 PolarHBondContact O-N 3.26Å
43A61.1Low69.8Low61 Ų6165.4 Ų65.450%0.50437%0.374SS..  trans-68.6121162.100000109.1S58A43-S58 PolarHBondContact O-N 3.43Å
44I73Confident70.5Confident38 Ų3865.2 Ų65.220%0.19537%0.373CS..EExtended strand (participates in β ladder)trans-124.4124.8-178.8-57.7168.9000108.4D35 T42 Q46 Y57D35-I44 PolarHBondContact N-O 2.97Å; T42-I44 PolarHBondContact O-N 3.26Å; I44-Q46 HydrophobicContact CG2-CG 4.04Å; I44-Y57 HydrophobicContact CD1-CD1 4.01Å; I44-Y57 HydrophobicContact CD1-CE1 3.81Å; I44-Y57 HydrophobicContact CG1-CD1 3.84Å; I44-Y57 HydrophobicContact CG1-CE1 4.1Å; I44-Y57 HydrophobicContact CG2-CD1 4.39Å; I44-Y57 HydrophobicContact CG2-CE1 4.3Å
45S77.4Confident71.5Confident46 Ų4664.4 Ų64.432%0.32236%0.364SS..EExtended strand (participates in β ladder)trans-102.3117.2172.5-69.80000109.5W56S45-W56 PolarHBondContact N-O 3.03Å; S45-W56 PolarHBondContact O-N 3.37Å
46Q81.2Confident72.5Confident75 Ų7567.8 Ų67.835%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-102.3123.5179.1-56.5-164.3-58.800110S33 I44 T55S33-Q46 PolarHBondContact N-O 3.37Å; S33-Q46 PolarHBondContact O-N 3.22Å; I44-Q46 HydrophobicContact CG2-CG 4.04Å; Q46-T55 HydrophobicContact CB-CG2 4.44Å; Q46-T55 HydrophobicContact CG-CG2 3.96Å
47M84.6Confident73.9Confident37 Ų3767 Ų6718%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-107.8111.3175.7-50.4-66.6139.700107.2N29 V32 C54N29-M47 PolarHBondContact OD1-SD 3.05Å; V32-M47 HydrophobicContact CB-SD 4.05Å; V32-M47 HydrophobicContact CG1-CE 3.46Å; V32-M47 VanDerWaalsContact CG1-CE 3.46Å; V32-M47 HydrophobicContact CG1-SD 3.57Å; V32-M47 VanDerWaalsContact CG1-SD 3.57Å; V32-M47 HydrophobicContact CG2-SD 3.51Å; V32-M47 VanDerWaalsContact CG2-SD 3.51Å; M47-C54 HydrophobicContact CB-CB 4.4Å; M47-C54 PolarHBondContact N-O 3.47Å; M47-C54 PolarHBondContact O-N 2.89Å; M47-C54 VanDerWaalsContact O-O 3.14Å
48Q85.1Confident75.3Confident43 Ų4370 Ų7020%0.20138%0.375CS..EExtended strand (participates in β ladder)trans-100.3124.1176.8-52.6-180-8.500110.7P28 W30 K31 D53P28-Q48 CarbonylContact O-C 3.48Å; P28-Q48 VanDerWaalsContact O-O 3.1Å; W30-Q48 PolarHBondContact N-O 3.33Å; K31-Q48 HydrophobicContact CD-CB 3.96Å; K31-Q48 HydrophobicContact CD-CG 4.42Å; K31-Q48 HydrophobicContact CG-CB 3.56Å; K31-Q48 HydrophobicContact CG-CG 4.28Å; K31-Q48 PolarHBondContact N-O 3.37Å; K31-Q48 VanDerWaalsContact N-O 3.16Å; K31-Q48 PolarHBondContact O-N 2.88Å; Q48-D53 WeakPolarHBondContact CA-OD1 3.3Å; Q48-D53 WeakPolarHBondContact CB-OD1 3.39Å
49G87.4Confident76.7Confident1 Ų169.4 Ų69.41%0.0137%0.367CS..  trans-105173.8-179.200000113.2P28 M52 D53 K67P28-G49 VanDerWaalsContact O-CA 3.25Å; P28-G49 WeakPolarHBondContact O-CA 3.26Å; P28-G49 PolarHBondContact O-N 3.23Å; P28-G49 VanDerWaalsContact O-N 3.09Å; G49-M52 WeakPolarHBondContact CA-O 3.26Å; G49-M52 PolarHBondContact N-O 3.32Å; G49-D53 PolarHBondContact N-OD1 3.21Å; G49-K67 PolarHBondContact O-NZ 3.04Å
50L85.3Confident78.2Confident1 Ų166.2 Ų66.21%0.00536%0.363CS..SBendtrans-65.1-46.8172.5-125.369.9000110.8W30 A80 R81 M84 F139W30-L50 HydrophobicContact CD2-CD1 3.83Å; W30-L50 HydrophobicContact CE3-CD1 4.23Å; W30-L50 HydrophobicContact CG-CD1 4.11Å; W30-L50 HydrophobicContact CZ2-CD1 4.35Å; L50-A80 HydrophobicContact CD1-CB 4.17Å; L50-R81 HydrophobicContact CD2-CG 4.07Å; L50-R81 HydrophobicContact CG-CG 3.92Å; L50-R81 PolarHBondContact O-NE 3.49Å; L50-R81 PolarHBondContact O-NH2 3.3Å; L50-M84 HydrophobicContact CD2-CB 4.13Å; L50-M84 HydrophobicContact CD2-CG 3.84Å; L50-F139 HydrophobicContact CD1-CE2 3.75Å; L50-F139 HydrophobicContact CD1-CZ 3.78Å
51W87.3Confident79.6Confident92 Ų9264.1 Ų64.135%0.34835%0.351SS..SBendtrans-104.9-30.7-173.2-59.690.3000114.6T25 K67 V85T25-W51 PolarHBondContact O-NE1 2.77Å; T25-W51 VanDerWaalsContact O-NE1 3.11Å; W51-K67 PolarHBondContact O-N 3.06Å; W51-V85 HydrophobicContact CH2-CG2 4.09Å; W51-V85 HydrophobicContact CZ2-CG2 3.7Å
52M86.9Confident81Confident62 Ų6262.3 Ų62.331%0.30534%0.338SS..EExtended strand (participates in β ladder)trans-138.3145.2-174.840.117283.300109.1P28 G49 T65 L66P28-M52 HydrophobicContact CB-CG 4.06Å; P28-M52 HydrophobicContact CB-SD 4.32Å; P28-M52 HydrophobicContact CG-SD 4.43Å; G49-M52 WeakPolarHBondContact CA-O 3.26Å; G49-M52 PolarHBondContact N-O 3.32Å; M52-T65 CarbonylContact C-O 3.15Å; M52-T65 WeakPolarHBondContact CA-O 3.06Å; M52-L66 HydrophobicContact CB-CD2 3.94Å; M52-L66 HydrophobicContact CB-CG 4.44Å; M52-L66 HydrophobicContact CE-CD2 4.08Å
53D86.8Confident82.4Confident36 Ų3661.3 Ų61.319%0.19333%0.334CS..EExtended strand (participates in β ladder)trans-105139.4166.4-67.6-29.3000108.5Q48 G49 C64 T65 K67Q48-D53 WeakPolarHBondContact CA-OD1 3.3Å; Q48-D53 WeakPolarHBondContact CB-OD1 3.39Å; G49-D53 PolarHBondContact N-OD1 3.21Å; D53-C64 CarbonylContact O-C 3.03Å; D53-C64 VanDerWaalsContact O-CA 3.26Å; D53-C64 WeakPolarHBondContact O-CA 3.45Å; D53-T65 PolarHBondContact N-O 3.33Å; D53-T65 PolarHBondContact O-N 2.81Å; D53-K67 WeakPolarHBondContact OD1-CE 3.38Å; D53-K67 IonicContact OD1-NZ 3.45Å; D53-K67 PolarHBondContact OD1-NZ 3.49Å; D53-K67 WeakPolarHBondContact OD2-CE 3.34Å; D53-K67 IonicContact OD2-NZ 2.63Å; D53-K67 PolarHBondContact OD2-NZ 3.27Å; D53-K67 VanDerWaalsContact OD2-NZ 3.13Å
54C87.3Confident83.8Confident3 Ų361.2 Ų61.22%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-124.9137.6178.1-64.10000109.9M47 F62 S63 C64M47-C54 HydrophobicContact CB-CB 4.4Å; M47-C54 PolarHBondContact N-O 3.47Å; M47-C54 PolarHBondContact O-N 2.89Å; M47-C54 VanDerWaalsContact O-O 3.14Å; C54-F62 HydrophobicContact CB-CE2 3.79Å; C54-F62 HydrophobicContact CB-CZ 3.77Å; C54-S63 CarbonylContact C-O 3.49Å; C54-S63 WeakPolarHBondContact CA-O 3.26Å; C54-C64 HydrophobicContact CB-CB 4.18Å; C54-C64 WeakPolarHBondContact CB-SG 3.23Å; C54-C64 WeakPolarHBondContact SG-CB 3.45Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.47Å
55T86Confident84.4Confident23 Ų2363.5 Ų63.514%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-120.5126.3177.256.80000109.2Q46 Y57 S63Q46-T55 HydrophobicContact CB-CG2 4.44Å; Q46-T55 HydrophobicContact CG-CG2 3.96Å; T55-Y57 VanDerWaalsContact OG1-CE2 3.29Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.49Å; T55-S63 PolarHBondContact N-O 2.95Å; T55-S63 PolarHBondContact O-N 2.88Å; T55-S63 VanDerWaalsContact O-N 3.13Å; T55-S63 PolarHBondContact OG1-O 3.35Å
56W83.6Confident84.8Confident135 Ų13565.1 Ų65.151%0.51135%0.349SS..EExtended strand (participates in β ladder)trans-102.2118.3174.7-172.9-83.1000109.5S45 F62S45-W56 PolarHBondContact N-O 3.03Å; S45-W56 PolarHBondContact O-N 3.37Å; W56-F62 HydrophobicContact CB-CD2 4.45Å; W56-F62 HydrophobicContact CD2-CD2 4.31Å; W56-F62 HydrophobicContact CE3-CB 3.96Å; W56-F62 AromaticContact CE3-CD2 3.32Å; W56-F62 HydrophobicContact CE3-CD2 3.32Å; W56-F62 AromaticContact CE3-CE2 4Å; W56-F62 HydrophobicContact CE3-CE2 4Å; W56-F62 AromaticContact CE3-CG 3.9Å; W56-F62 HydrophobicContact CE3-CG 3.9Å; W56-F62 HydrophobicContact CZ3-CB 3.88Å; W56-F62 AromaticContact CZ3-CD2 3.88Å; W56-F62 HydrophobicContact CZ3-CD2 3.88Å; W56-F62 HydrophobicContact CZ3-CG 4.01Å
57Y83.3Confident84.7Confident81 Ų8163.1 Ų63.132%0.31834%0.339SS..EExtended strand (participates in β ladder)trans-96.6141.2177.3-62.2-91.2000110.3I44 T55 T59 G60 M61I44-Y57 HydrophobicContact CD1-CD1 4.01Å; I44-Y57 HydrophobicContact CD1-CE1 3.81Å; I44-Y57 HydrophobicContact CG1-CD1 3.84Å; I44-Y57 HydrophobicContact CG1-CE1 4.1Å; I44-Y57 HydrophobicContact CG2-CD1 4.39Å; I44-Y57 HydrophobicContact CG2-CE1 4.3Å; T55-Y57 VanDerWaalsContact OG1-CE2 3.29Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.49Å; Y57-T59 WeakPolarHBondContact CB-OG1 3.43Å; Y57-T59 PolarHBondContact O-N 2.91Å; Y57-G60 PolarHBondContact O-N 2.88Å; Y57-M61 HydrophobicContact CD2-CB 4.1Å; Y57-M61 WeakPolarHBondContact CD2-O 3.26Å; Y57-M61 HydrophobicContact CG-CB 4.48Å; Y57-M61 PolarHBondContact N-O 3.36Å
58S78.1Confident83.9Confident94 Ų9470.1 Ų70.166%0.65737%0.365SS*.THydrogen-bonded Turntrans-60.8-14.4175.8-169.30000114.2A43 G60A43-S58 PolarHBondContact O-N 3.43Å; S58-G60 PolarHBondContact O-N 3.18Å
59T80.4Confident83.1Confident103 Ų10372 Ų7263%0.63238%0.382SS*.THydrogen-bonded Turntrans-74.50.9172.952.70000113.6Y57 M61Y57-T59 WeakPolarHBondContact CB-OG1 3.43Å; Y57-T59 PolarHBondContact O-N 2.91Å; T59-M61 VanDerWaalsContact C-N 3.35Å; T59-M61 PolarHBondContact OG1-SD 2.72Å; T59-M61 VanDerWaalsContact OG1-SD 3.39Å
60G80.4Confident81.8Confident56 Ų5676.3 Ų76.358%0.57741%0.409SS*.SBendtrans84.57.5-177.800000114Y57 S58Y57-G60 PolarHBondContact O-N 2.88Å; S58-G60 PolarHBondContact O-N 3.18Å
61M82.2Confident80.5Confident128 Ų12884.7 Ų84.763%0.63145%0.453SS*.  trans-86130.2176.8-59.4165.5133.200110.1Y57 T59Y57-M61 HydrophobicContact CD2-CB 4.1Å; Y57-M61 WeakPolarHBondContact CD2-O 3.26Å; Y57-M61 HydrophobicContact CG-CB 4.48Å; Y57-M61 PolarHBondContact N-O 3.36Å; T59-M61 VanDerWaalsContact C-N 3.35Å; T59-M61 PolarHBondContact OG1-SD 2.72Å; T59-M61 VanDerWaalsContact OG1-SD 3.39Å
62F86.8Confident79Confident117 Ų11785.4 Ų85.451%0.51347%0.472SS..EExtended strand (participates in β ladder)trans-117.6119.8172.6-176.2-116.2000109.6C54 W56 C64C54-F62 HydrophobicContact CB-CE2 3.79Å; C54-F62 HydrophobicContact CB-CZ 3.77Å; W56-F62 HydrophobicContact CB-CD2 4.45Å; W56-F62 HydrophobicContact CD2-CD2 4.31Å; W56-F62 HydrophobicContact CE3-CB 3.96Å; W56-F62 AromaticContact CE3-CD2 3.32Å; W56-F62 HydrophobicContact CE3-CD2 3.32Å; W56-F62 AromaticContact CE3-CE2 4Å; W56-F62 HydrophobicContact CE3-CE2 4Å; W56-F62 AromaticContact CE3-CG 3.9Å; W56-F62 HydrophobicContact CE3-CG 3.9Å; W56-F62 HydrophobicContact CZ3-CB 3.88Å; W56-F62 AromaticContact CZ3-CD2 3.88Å; W56-F62 HydrophobicContact CZ3-CD2 3.88Å; W56-F62 HydrophobicContact CZ3-CG 4.01Å; F62-C64 WeakPolarHBondContact CE1-SG 3.48Å; F62-C64 WeakPolarHBondContact CZ-SG 3.45Å
63S86.3Confident78.2Confident56 Ų5684 Ų8439%0.39247%0.465SS..EExtended strand (participates in β ladder)trans-125.4128.3-179.8-169.70000109.9C54 T55C54-S63 CarbonylContact C-O 3.49Å; C54-S63 WeakPolarHBondContact CA-O 3.26Å; T55-S63 PolarHBondContact N-O 2.95Å; T55-S63 PolarHBondContact O-N 2.88Å; T55-S63 VanDerWaalsContact O-N 3.13Å; T55-S63 PolarHBondContact OG1-O 3.35Å
64C89.8Confident77.8Confident59 Ų5985.1 Ų85.140%0.39947%0.474SS..EExtended strand (participates in β ladder)trans-119.1129.5174.1-67.10000110.1D53 C54 F62D53-C64 CarbonylContact O-C 3.03Å; D53-C64 VanDerWaalsContact O-CA 3.26Å; D53-C64 WeakPolarHBondContact O-CA 3.45Å; C54-C64 HydrophobicContact CB-CB 4.18Å; C54-C64 WeakPolarHBondContact CB-SG 3.23Å; C54-C64 WeakPolarHBondContact SG-CB 3.45Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.47Å; F62-C64 WeakPolarHBondContact CE1-SG 3.48Å; F62-C64 WeakPolarHBondContact CZ-SG 3.45Å
65T86.4Confident77.5Confident86 Ų8688.5 Ų88.553%0.52850%0.502SS..EExtended strand (participates in β ladder)trans-113.8127.5177.756.20000109.7M52 D53M52-T65 CarbonylContact C-O 3.15Å; M52-T65 WeakPolarHBondContact CA-O 3.06Å; D53-T65 PolarHBondContact N-O 3.33Å; D53-T65 PolarHBondContact O-N 2.81Å
66L85.2Confident77.2Confident79 Ų7989.9 Ų89.941%0.41451%0.505SS..EExtended strand (participates in β ladder)trans-81.6140176.9-82.5163000110.2M52 Y68M52-L66 HydrophobicContact CB-CD2 3.94Å; M52-L66 HydrophobicContact CB-CG 4.44Å; M52-L66 HydrophobicContact CE-CD2 4.08Å; L66-Y68 HydrophobicContact CB-CD1 4.27Å; L66-Y68 HydrophobicContact CB-CD2 4.26Å; L66-Y68 HydrophobicContact CB-CE1 3.63Å; L66-Y68 HydrophobicContact CB-CE2 3.63Å; L66-Y68 WeakPolarHBondContact CB-OH 3.19Å; L66-Y68 HydrophobicContact CD1-CE1 3.94Å; L66-Y68 VanDerWaalsContact CD1-OH 3.31Å; L66-Y68 WeakPolarHBondContact CD1-OH 3.34Å; L66-Y68 HydrophobicContact CG-CE1 4.41Å; L66-Y68 WeakPolarHBondContact O-CD2 3.38Å; L66-Y68 VanDerWaalsContact O-CE2 3.31Å; L66-Y68 WeakPolarHBondContact O-CE2 3.37Å; L66-Y68 PolarHBondContact O-N 3.46Å
67K79.5Confident77.2Confident34 Ų3483.7 Ų83.715%0.14848%0.482CS..  trans-90.183.4179.2-73.2171.3177.5158.70111G49 W51 D53 L73 R81G49-K67 PolarHBondContact O-NZ 3.04Å; W51-K67 PolarHBondContact O-N 3.06Å; D53-K67 WeakPolarHBondContact OD1-CE 3.38Å; D53-K67 IonicContact OD1-NZ 3.45Å; D53-K67 PolarHBondContact OD1-NZ 3.49Å; D53-K67 WeakPolarHBondContact OD2-CE 3.34Å; D53-K67 IonicContact OD2-NZ 2.63Å; D53-K67 PolarHBondContact OD2-NZ 3.27Å; D53-K67 VanDerWaalsContact OD2-NZ 3.13Å; K67-L73 HydrophobicContact CB-CD1 4.41Å; K67-L73 HydrophobicContact CD-CD1 3.83Å; K67-L73 HydrophobicContact CG-CD1 4.28Å; K67-R81 PolarHBondContact O-NH1 2.98Å
68Y68.3Low77.4Confident184 Ų18484.5 Ų84.572%0.72249%0.489SS*.  trans-76.6-33-176.9-52.8-77.1000114.3L66 V70L66-Y68 HydrophobicContact CB-CD1 4.27Å; L66-Y68 HydrophobicContact CB-CD2 4.26Å; L66-Y68 HydrophobicContact CB-CE1 3.63Å; L66-Y68 HydrophobicContact CB-CE2 3.63Å; L66-Y68 WeakPolarHBondContact CB-OH 3.19Å; L66-Y68 HydrophobicContact CD1-CE1 3.94Å; L66-Y68 VanDerWaalsContact CD1-OH 3.31Å; L66-Y68 WeakPolarHBondContact CD1-OH 3.34Å; L66-Y68 HydrophobicContact CG-CE1 4.41Å; L66-Y68 WeakPolarHBondContact O-CD2 3.38Å; L66-Y68 VanDerWaalsContact O-CE2 3.31Å; L66-Y68 WeakPolarHBondContact O-CE2 3.37Å; L66-Y68 PolarHBondContact O-N 3.46Å; Y68-V70 PolarHBondContact O-N 2.96Å
69S67.1Low77.9Confident81 Ų8183.8 Ų83.857%0.56648%0.481SS*.  trans-85.798.5-172.5-600000112L71S69-L71 PolarHBondContact O-N 3.44Å
70V61.8Low78.3Confident93 Ų9379 Ų7956%0.56445%0.452SS*.G310 helixtrans-64-27.1173.5-65.60000113.1Y68Y68-V70 PolarHBondContact O-N 2.96Å
71L58.2Low78.8Confident177 Ų17777.4 Ų77.493%0.92743%0.429SS*.G310 helixtrans-79.1-18.3-174.8-152.871.4000114S69S69-L71 PolarHBondContact O-N 3.44Å
72S55.7Low79.3Confident107 Ų10775.1 Ų75.175%0.74842%0.422SS*.G310 helixtrans-108.13.6179.6-1710000112.5
73L69.8Low79.6Confident31 Ų3170.8 Ų70.816%0.16241%0.405CS..SBendtrans-93135.6-175.3-15370.3000109.8K67 L77 R81K67-L73 HydrophobicContact CB-CD1 4.41Å; K67-L73 HydrophobicContact CD-CD1 3.83Å; K67-L73 HydrophobicContact CG-CD1 4.28Å; L73-L77 HydrophobicContact CD1-CD1 4.12Å; L73-L77 HydrophobicContact CD2-CB 3.82Å; L73-L77 HydrophobicContact CD2-CD1 4.45Å; L73-L77 HydrophobicContact CG-CB 3.98Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-R81 VanDerWaalsContact CD2-CZ 3.42Å
74P77.8Confident79.9Confident60 Ų6068.1 Ų68.139%0.3939%0.386SS..  trans-62.3142.6-17927.3-37.7000111Y76 L77 Q78P74-Y76 HydrophobicContact CB-CD1 3.66Å; P74-Y76 HydrophobicContact CB-CE1 3.6Å; P74-Y76 HydrophobicContact CG-CD1 3.83Å; P74-Y76 HydrophobicContact CG-CE1 3.3Å; P74-Y76 PolarHBondContact O-N 3.24Å; P74-L77 HydrophobicContact CG-CB 4.37Å; P74-L77 HydrophobicContact CG-CD1 3.78Å; P74-L77 HydrophobicContact CG-CG 4.42Å; P74-L77 WeakPolarHBondContact O-CB 3.07Å; P74-L77 PolarHBondContact O-N 3.43Å; P74-Q78 PolarHBondContact O-N 3.43Å
75A80.1Confident80.2Confident74 Ų7468.3 Ų68.361%0.61239%0.385SS*.Hα-helixtrans-53.6-35.3-170.600000113.5L77 Q78 T79A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.03Å; A75-Q78 PolarHBondContact O-N 2.86Å; A75-T79 PolarHBondContact O-N 3.24Å; A75-T79 PolarHBondContact O-OG1 2.67Å
76Y80.6Confident80.6Confident52 Ų5268.4 Ų68.420%0.20438%0.382CS..Hα-helixtrans-63.2-34179.584.7-92.2000113.2K31 P74 T79 A80 F139K31-Y76 PolarHBondContact NZ-OH 3.47Å; P74-Y76 HydrophobicContact CB-CD1 3.66Å; P74-Y76 HydrophobicContact CB-CE1 3.6Å; P74-Y76 HydrophobicContact CG-CD1 3.83Å; P74-Y76 HydrophobicContact CG-CE1 3.3Å; P74-Y76 PolarHBondContact O-N 3.24Å; Y76-T79 WeakPolarHBondContact CA-OG1 3.49Å; Y76-T79 PolarHBondContact O-OG1 3.47Å; Y76-A80 WeakPolarHBondContact O-CB 3.49Å; Y76-A80 PolarHBondContact O-N 3.04Å; Y76-F139 HydrophobicContact CE2-CE1 4.12Å; Y76-F139 HydrophobicContact CE2-CZ 4.08Å
77L84.4Confident81.2Confident5 Ų564.7 Ų64.73%0.02636%0.363CS..Hα-helixtrans-72.2-38.4177-94.6164.8000110.7L73 P74 A75 A80 R81 F139L73-L77 HydrophobicContact CD1-CD1 4.12Å; L73-L77 HydrophobicContact CD2-CB 3.82Å; L73-L77 HydrophobicContact CD2-CD1 4.45Å; L73-L77 HydrophobicContact CG-CB 3.98Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; P74-L77 HydrophobicContact CG-CB 4.37Å; P74-L77 HydrophobicContact CG-CD1 3.78Å; P74-L77 HydrophobicContact CG-CG 4.42Å; P74-L77 WeakPolarHBondContact O-CB 3.07Å; P74-L77 PolarHBondContact O-N 3.43Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.03Å; L77-A80 PolarHBondContact O-N 3.36Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 3.02Å; L77-F139 HydrophobicContact CD2-CZ 4.09Å
78Q87.1Confident81.9Confident99 Ų9964.7 Ų64.746%0.46337%0.367SS..Hα-helixtrans-65.3-47.1176.8-173.7175.4-0.800110.9P74 A75 A80 R81 T82P74-Q78 PolarHBondContact O-N 3.43Å; A75-Q78 PolarHBondContact O-N 2.86Å; Q78-A80 VanDerWaalsContact C-N 3.32Å; Q78-A80 PolarHBondContact O-N 3.48Å; Q78-R81 PolarHBondContact O-N 2.96Å; Q78-T82 WeakPolarHBondContact O-CG2 2.92Å; Q78-T82 PolarHBondContact O-N 3.49Å; Q78-T82 PolarHBondContact O-OG1 3.31Å
79T87.3Confident83.3Confident78 Ų7859.4 Ų59.448%0.47935%0.354SS..Hα-helixtrans-59-45.7175.950.10000110.7A75 Y76 R81 T82 T83A75-T79 PolarHBondContact O-N 3.24Å; A75-T79 PolarHBondContact O-OG1 2.67Å; Y76-T79 WeakPolarHBondContact CA-OG1 3.49Å; Y76-T79 PolarHBondContact O-OG1 3.47Å; T79-R81 PolarHBondContact O-N 3.34Å; T79-T82 WeakPolarHBondContact CA-OG1 3.44Å; T79-T82 PolarHBondContact O-N 2.89Å; T79-T82 VanDerWaalsContact O-N 3.16Å; T79-T82 PolarHBondContact O-OG1 3.44Å; T79-T83 WeakPolarHBondContact O-CG2 3.42Å; T79-T83 PolarHBondContact O-N 3.02Å; T79-T83 PolarHBondContact O-OG1 3.02Å
80A89.6Confident84.7Confident4 Ų457.6 Ų57.63%0.03334%0.337CS..Hα-helixtrans-60.8-41.7178.700000113.4L50 Y76 L77 Q78 T83 M84 P135 F139L50-A80 HydrophobicContact CD1-CB 4.17Å; Y76-A80 WeakPolarHBondContact O-CB 3.49Å; Y76-A80 PolarHBondContact O-N 3.04Å; L77-A80 PolarHBondContact O-N 3.36Å; Q78-A80 VanDerWaalsContact C-N 3.32Å; Q78-A80 PolarHBondContact O-N 3.48Å; A80-T83 WeakPolarHBondContact CA-OG1 3.43Å; A80-T83 PolarHBondContact O-OG1 2.8Å; A80-M84 WeakPolarHBondContact O-CB 3.38Å; A80-M84 WeakPolarHBondContact O-CG 3.29Å; A80-M84 PolarHBondContact O-N 2.88Å; A80-P135 HydrophobicContact CB-CB 3.83Å; A80-F139 HydrophobicContact CB-CE2 3.74Å
81R90.9Very high86.3Confident22 Ų2253.2 Ų53.28%0.08331%0.31CS..Hα-helixtrans-60.2-47.9173.9-73175.1-177.1-170.1-1.5111.2L50 K67 L73 L77 Q78 T79 T83 M84 V85L50-R81 HydrophobicContact CD2-CG 4.07Å; L50-R81 HydrophobicContact CG-CG 3.92Å; L50-R81 PolarHBondContact O-NE 3.49Å; L50-R81 PolarHBondContact O-NH2 3.3Å; K67-R81 PolarHBondContact O-NH1 2.98Å; L73-R81 VanDerWaalsContact CD2-CZ 3.42Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 3.02Å; Q78-R81 PolarHBondContact O-N 2.96Å; T79-R81 PolarHBondContact O-N 3.34Å; R81-T83 PolarHBondContact O-N 2.95Å; R81-M84 PolarHBondContact O-N 3.4Å; R81-V85 WeakPolarHBondContact O-CB 3.5Å; R81-V85 VanDerWaalsContact O-CG2 3.26Å; R81-V85 WeakPolarHBondContact O-CG2 3.36Å; R81-V85 PolarHBondContact O-N 3.31Å
82T91.6Very high88.2Confident80 Ų8047 Ų4749%0.49128%0.284SS..Hα-helixtrans-64.3-41.2-178.1580000112.2Q78 T79 L86Q78-T82 WeakPolarHBondContact O-CG2 2.92Å; Q78-T82 PolarHBondContact O-N 3.49Å; Q78-T82 PolarHBondContact O-OG1 3.31Å; T79-T82 WeakPolarHBondContact CA-OG1 3.44Å; T79-T82 PolarHBondContact O-N 2.89Å; T79-T82 VanDerWaalsContact O-N 3.16Å; T79-T82 PolarHBondContact O-OG1 3.44Å; T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.44Å
83T93.3Very high90.1Very high25 Ų2546 Ų4615%0.15327%0.269CS..Hα-helixtrans-69.3-39.3179.2560000111.8T79 A80 R81 S87 P135T79-T83 WeakPolarHBondContact O-CG2 3.42Å; T79-T83 PolarHBondContact O-N 3.02Å; T79-T83 PolarHBondContact O-OG1 3.02Å; A80-T83 WeakPolarHBondContact CA-OG1 3.43Å; A80-T83 PolarHBondContact O-OG1 2.8Å; R81-T83 PolarHBondContact O-N 2.95Å; T83-S87 VanDerWaalsContact O-CB 3.29Å; T83-S87 WeakPolarHBondContact O-CB 3.38Å; T83-S87 PolarHBondContact O-N 3.31Å; T83-P135 WeakPolarHBondContact OG1-CG 3.39Å
84M94.1Very high91.3Very high1 Ų144.5 Ų44.51%0.00526%0.261CS..Hα-helixtrans-65.9-45.9175.8-70-65-74.400111.8A24 T25 W30 L50 A80 R81 L86 S87 C88 P135A24-M84 HydrophobicContact CB-CE 3.91Å; T25-M84 HydrophobicContact CG2-CB 4.29Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å; W30-M84 HydrophobicContact CH2-CE 3.9Å; W30-M84 HydrophobicContact CH2-CG 4.38Å; W30-M84 HydrophobicContact CH2-SD 3.93Å; W30-M84 HydrophobicContact CZ2-CE 3.57Å; W30-M84 HydrophobicContact CZ2-CG 4.41Å; W30-M84 HydrophobicContact CZ2-SD 4.16Å; L50-M84 HydrophobicContact CD2-CB 4.13Å; L50-M84 HydrophobicContact CD2-CG 3.84Å; A80-M84 WeakPolarHBondContact O-CB 3.38Å; A80-M84 WeakPolarHBondContact O-CG 3.29Å; A80-M84 PolarHBondContact O-N 2.88Å; R81-M84 PolarHBondContact O-N 3.4Å; M84-L86 PolarHBondContact O-N 3.4Å; M84-S87 WeakPolarHBondContact O-CB 3.44Å; M84-S87 PolarHBondContact O-N 3.01Å; M84-C88 PolarHBondContact O-N 3.28Å; M84-C88 PolarHBondContact O-SG 2.91Å; M84-P135 HydrophobicContact CG-CB 4.42Å; M84-P135 HydrophobicContact CG-CG 3.84Å; M84-P135 HydrophobicContact SD-CG 3.58Å; M84-P135 VanDerWaalsContact SD-CG 3.58Å
85V94.9Very high92.2Very high62 Ų6243.6 Ų43.638%0.37625%0.252SS..Hα-helixtrans-62-45.1176.3173.20000110.8W51 R81 S87 C88 V89W51-V85 HydrophobicContact CH2-CG2 4.09Å; W51-V85 HydrophobicContact CZ2-CG2 3.7Å; R81-V85 WeakPolarHBondContact O-CB 3.5Å; R81-V85 VanDerWaalsContact O-CG2 3.26Å; R81-V85 WeakPolarHBondContact O-CG2 3.36Å; R81-V85 PolarHBondContact O-N 3.31Å; V85-S87 VanDerWaalsContact C-N 3.31Å; V85-S87 PolarHBondContact O-N 3.5Å; V85-C88 PolarHBondContact O-N 3.17Å; V85-V89 WeakPolarHBondContact O-CG2 3.3Å; V85-V89 PolarHBondContact O-N 3.17Å
86L95.8Very high92.8Very high89 Ų8944 Ų4447%0.46625%0.25SS..Hα-helixtrans-63.2-38.6177.4-173.162.9000111.8T82 M84 V89 M90 L131T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.44Å; M84-L86 PolarHBondContact O-N 3.4Å; L86-V89 PolarHBondContact O-N 3.38Å; L86-M90 HydrophobicContact CG-CG 4.49Å; L86-M90 WeakPolarHBondContact O-CB 3.32Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.26Å; L86-M90 PolarHBondContact O-N 3.31Å; L86-L131 HydrophobicContact CB-CD1 4.34Å; L86-L131 HydrophobicContact CD2-CD1 3.91Å; L86-L131 HydrophobicContact CD2-CD2 4.07Å; L86-L131 HydrophobicContact CG-CD1 3.79Å
87S96.4Very high93.4Very high0 Ų044.1 Ų44.10%025%0.254CS..Hα-helixtrans-58.8-48.2173178.90000111.3T83 M84 V85 V89 M90 A91 A128T83-S87 VanDerWaalsContact O-CB 3.29Å; T83-S87 WeakPolarHBondContact O-CB 3.38Å; T83-S87 PolarHBondContact O-N 3.31Å; M84-S87 WeakPolarHBondContact O-CB 3.44Å; M84-S87 PolarHBondContact O-N 3.01Å; V85-S87 VanDerWaalsContact C-N 3.31Å; V85-S87 PolarHBondContact O-N 3.5Å; S87-V89 PolarHBondContact O-N 3.44Å; S87-M90 PolarHBondContact O-N 2.9Å; S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.49Å; S87-A91 PolarHBondContact O-N 2.98Å; S87-A128 WeakPolarHBondContact O-CB 3.38Å; S87-A128 PolarHBondContact OG-O 3.45Å
88C95.6Very high93.8Very high35 Ų3543.9 Ų43.924%0.23625%0.253CS..Hα-helixtrans-59.9-43176.8-69.10000112.5M84 V85 A91 A92M84-C88 PolarHBondContact O-N 3.28Å; M84-C88 PolarHBondContact O-SG 2.91Å; V85-C88 PolarHBondContact O-N 3.17Å; C88-A91 PolarHBondContact O-N 3.37Å; C88-A92 WeakPolarHBondContact O-CB 3.42Å; C88-A92 PolarHBondContact O-N 3.41Å
89V96.9Very high93.9Very high73 Ų7341.2 Ų41.244%0.44225%0.245SC..Hα-helixtrans-64.7-46.4177.81740000111V85 L86 S87 A91 A92 M93V85-V89 WeakPolarHBondContact O-CG2 3.3Å; V85-V89 PolarHBondContact O-N 3.17Å; L86-V89 PolarHBondContact O-N 3.38Å; S87-V89 PolarHBondContact O-N 3.44Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.07Å; V89-A92 PolarHBondContact O-N 3.25Å; V89-M93 HydrophobicContact CG1-CE 4.08Å; V89-M93 WeakPolarHBondContact O-CG 3.3Å; V89-M93 PolarHBondContact O-N 2.87Å
90M96.4Very high94Very high43 Ų4340.2 Ų40.221%0.21224%0.237CC..Hα-helixtrans-61.6-40176.4-74.2-65.5-6600112.2L86 S87 M93 G94 C124 A127 A128 L131L86-M90 HydrophobicContact CG-CG 4.49Å; L86-M90 WeakPolarHBondContact O-CB 3.32Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.26Å; L86-M90 PolarHBondContact O-N 3.31Å; S87-M90 PolarHBondContact O-N 2.9Å; M90-M93 HydrophobicContact CG-CE 4.19Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.26Å; M90-M93 WeakPolarHBondContact SD-CE 3.33Å; M90-G94 PolarHBondContact O-N 3.41Å; M90-C124 HydrophobicContact CE-CB 4.34Å; M90-A127 HydrophobicContact CE-CB 3.89Å; M90-A128 HydrophobicContact CB-CB 3.93Å; M90-L131 HydrophobicContact CG-CD1 4.11Å
91A96.8Very high93.6Very high0 Ų040.3 Ų40.30%024%0.238CC..Hα-helixtrans-69.6-38.517800000111.7I18 S87 C88 V89 G94 L95 F125 A128 L174I18-A91 HydrophobicContact CD1-CB 4.47Å; I18-A91 HydrophobicContact CG1-CB 3.7Å; S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.49Å; S87-A91 PolarHBondContact O-N 2.98Å; C88-A91 PolarHBondContact O-N 3.37Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.07Å; A91-G94 PolarHBondContact O-N 3.14Å; A91-L95 PolarHBondContact O-N 3Å; A91-F125 WeakPolarHBondContact O-CE1 3.47Å; A91-A128 HydrophobicContact CB-CB 3.84Å; A91-L174 HydrophobicContact CB-CD2 4.41Å
92A96.3Very high93.2Very high47 Ų4740.1 Ų40.139%0.38824%0.238SC..Hα-helixtrans-63.4-45.7173.600000111.8C88 V89 G94 L95 C96C88-A92 WeakPolarHBondContact O-CB 3.42Å; C88-A92 PolarHBondContact O-N 3.41Å; V89-A92 PolarHBondContact O-N 3.25Å; A92-G94 VanDerWaalsContact C-N 3.32Å; A92-G94 PolarHBondContact O-N 3.13Å; A92-L95 WeakPolarHBondContact O-CB 3.38Å; A92-L95 PolarHBondContact O-N 3.2Å; A92-L95 VanDerWaalsContact O-N 3.15Å; A92-C96 PolarHBondContact O-N 3.5Å; A92-C96 PolarHBondContact O-SG 2.89Å; A92-C96 VanDerWaalsContact O-SG 3.38Å
93M96.2Very high92.3Very high86 Ų8641.8 Ų41.842%0.42424%0.239SC..Hα-helixtrans-60.3-43.1173.6-69.8-172.3-61.300111.5V89 M90 L95 C96 L97V89-M93 HydrophobicContact CG1-CE 4.08Å; V89-M93 WeakPolarHBondContact O-CG 3.3Å; V89-M93 PolarHBondContact O-N 2.87Å; M90-M93 HydrophobicContact CG-CE 4.19Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.26Å; M90-M93 WeakPolarHBondContact SD-CE 3.33Å; M93-L95 VanDerWaalsContact C-N 3.3Å; M93-L95 PolarHBondContact O-N 3.38Å; M93-C96 PolarHBondContact O-N 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.48Å; M93-L97 PolarHBondContact O-N 3.37Å
94G95.8Very high90.9Very high0 Ų044.9 Ų44.90%026%0.26CS..Hα-helixtrans-57.3-41173.500000112.6M90 A91 A92 L97 A98 S121M90-G94 PolarHBondContact O-N 3.41Å; A91-G94 PolarHBondContact O-N 3.14Å; A92-G94 VanDerWaalsContact C-N 3.32Å; A92-G94 PolarHBondContact O-N 3.13Å; G94-L97 PolarHBondContact O-N 3.25Å; G94-A98 VanDerWaalsContact O-CB 3.26Å; G94-A98 WeakPolarHBondContact O-CB 3.35Å; G94-A98 PolarHBondContact O-N 3.33Å; G94-S121 VanDerWaalsContact O-CB 3.26Å; G94-S121 WeakPolarHBondContact O-CB 3.36Å
95L95.4Very high89.8Confident40 Ų4046.6 Ų46.621%0.20927%0.271CS..Hα-helixtrans-67-41.9178.1-173.366.4000112.7F11 L15 I18 A91 A92 M93 A98 S99 F125F11-L95 HydrophobicContact CD2-CD1 4.25Å; F11-L95 HydrophobicContact CE2-CD1 3.51Å; F11-L95 HydrophobicContact CZ-CD1 3.87Å; L15-L95 HydrophobicContact CD2-CD1 3.63Å; L15-L95 HydrophobicContact CD2-CD2 3.8Å; L15-L95 HydrophobicContact CD2-CG 4.38Å; L15-L95 HydrophobicContact CG-CD1 4.25Å; I18-L95 HydrophobicContact CD1-CB 3.75Å; I18-L95 HydrophobicContact CD1-CD1 4.06Å; I18-L95 HydrophobicContact CD1-CD2 3.85Å; I18-L95 HydrophobicContact CD1-CG 4.09Å; A91-L95 PolarHBondContact O-N 3Å; A92-L95 WeakPolarHBondContact O-CB 3.38Å; A92-L95 PolarHBondContact O-N 3.2Å; A92-L95 VanDerWaalsContact O-N 3.15Å; M93-L95 VanDerWaalsContact C-N 3.3Å; M93-L95 PolarHBondContact O-N 3.38Å; L95-A98 PolarHBondContact O-N 2.83Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.22Å; L95-F125 HydrophobicContact CB-CE1 4.44Å; L95-F125 HydrophobicContact CB-CZ 4.33Å
96C94.1Very high88.4Confident84 Ų8455.4 Ų55.457%0.56830%0.297SS*.Hα-helixtrans-59.2-50.1173.6-65.70000110.3A92 M93 A98 S99 L100A92-C96 PolarHBondContact O-N 3.5Å; A92-C96 PolarHBondContact O-SG 2.89Å; A92-C96 VanDerWaalsContact O-SG 3.38Å; M93-C96 PolarHBondContact O-N 3.31Å; C96-A98 VanDerWaalsContact C-N 3.35Å; C96-A98 PolarHBondContact O-N 2.89Å; C96-S99 WeakPolarHBondContact O-CB 3.36Å; C96-S99 PolarHBondContact O-N 2.97Å; C96-L100 WeakPolarHBondContact O-CG 3.49Å; C96-L100 PolarHBondContact O-N 3.04Å
97L92.6Very high86.8Confident54 Ų5459.3 Ų59.328%0.28331%0.306SS..Hα-helixtrans-63.3-38.9178.4-68174.9000112.6M93 G94 S99 L100 G101 A120M93-L97 WeakPolarHBondContact O-CG 3.48Å; M93-L97 PolarHBondContact O-N 3.37Å; G94-L97 PolarHBondContact O-N 3.25Å; L97-S99 PolarHBondContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.49Å; L97-G101 PolarHBondContact O-N 3.47Å; L97-A120 HydrophobicContact CD1-CB 4.05Å
98A91.9Very high85.1Confident0 Ų063.5 Ų63.50%035%0.349CS..Hα-helixtrans-61-47.3176.800000110F11 G94 L95 C96 L100 G101 L102 F125 F181F11-A98 HydrophobicContact CD2-CB 4.3Å; F11-A98 HydrophobicContact CE2-CB 4.47Å; G94-A98 VanDerWaalsContact O-CB 3.26Å; G94-A98 WeakPolarHBondContact O-CB 3.35Å; G94-A98 PolarHBondContact O-N 3.33Å; L95-A98 PolarHBondContact O-N 2.83Å; C96-A98 VanDerWaalsContact C-N 3.35Å; C96-A98 PolarHBondContact O-N 2.89Å; A98-L100 PolarHBondContact O-N 2.98Å; A98-L100 VanDerWaalsContact O-N 3.17Å; A98-G101 WeakPolarHBondContact O-CA 3.42Å; A98-G101 PolarHBondContact O-N 3.4Å; A98-L102 WeakPolarHBondContact O-CD1 3.45Å; A98-L102 PolarHBondContact O-N 3.28Å; A98-F125 HydrophobicContact CB-CE2 3.96Å; A98-F125 HydrophobicContact CB-CZ 4.15Å; A98-F181 HydrophobicContact CB-CE1 4.19Å; A98-F181 HydrophobicContact CB-CE2 4.31Å; A98-F181 HydrophobicContact CB-CZ 3.91Å
99S90.3Very high83.8Confident43 Ų4364.2 Ų64.230%0.30136%0.363SS..Hα-helixtrans-56.1-34.7178.5-56.50000112.9L95 C96 L97 T105L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.22Å; C96-S99 WeakPolarHBondContact O-CB 3.36Å; C96-S99 PolarHBondContact O-N 2.97Å; L97-S99 PolarHBondContact O-N 3.1Å; S99-T105 VanDerWaalsContact O-CB 3.26Å; S99-T105 WeakPolarHBondContact O-CB 3.32Å; S99-T105 WeakPolarHBondContact O-CG2 3.38Å; S99-T105 PolarHBondContact O-OG1 2.7Å
100L88.3Confident83Confident57 Ų5763.1 Ų63.130%0.29837%0.367SS..Hα-helixtrans-75.6-30.1174.8-57.5178.9000113.6C96 L97 A98 W107 A117C96-L100 WeakPolarHBondContact O-CG 3.49Å; C96-L100 PolarHBondContact O-N 3.04Å; L97-L100 PolarHBondContact O-N 3.49Å; A98-L100 PolarHBondContact O-N 2.98Å; A98-L100 VanDerWaalsContact O-N 3.17Å; L100-W107 HydrophobicContact CD2-CD2 3.62Å; L100-W107 HydrophobicContact CD2-CE3 3.11Å; L100-W107 HydrophobicContact CD2-CG 4.46Å; L100-W107 HydrophobicContact CD2-CH2 3.74Å; L100-W107 HydrophobicContact CD2-CZ2 4.21Å; L100-W107 HydrophobicContact CD2-CZ3 3.18Å; L100-A117 HydrophobicContact CB-CB 4.45Å
101G82Confident82.2Confident6 Ų672.3 Ų72.36%0.06240%0.399CS..Hα-helixtrans-82.2-17-177.100000115L97 A98L97-G101 PolarHBondContact O-N 3.47Å; A98-G101 WeakPolarHBondContact O-CA 3.42Å; A98-G101 PolarHBondContact O-N 3.4Å
102L83.3Confident81.4Confident17 Ų1782.2 Ų82.29%0.08944%0.436CS..  trans-69143.3179.7-90.878.1000112.4F11 A98 C104 T105 F181F11-L102 HydrophobicContact CD2-CD1 4.13Å; F11-L102 HydrophobicContact CG-CD2 4.49Å; A98-L102 WeakPolarHBondContact O-CD1 3.45Å; A98-L102 PolarHBondContact O-N 3.28Å; L102-C104 VanDerWaalsContact C-N 3.28Å; L102-C104 PolarHBondContact O-N 3.22Å; L102-T105 PolarHBondContact O-N 3.16Å; L102-F181 HydrophobicContact CD1-CE1 3.9Å; L102-F181 HydrophobicContact CD1-CZ 4.08Å
103K71.6Confident80.8Confident115 Ų11583.8 Ų83.850%0.544%0.444SS..THydrogen-bonded Turntrans-66.1-29.9175.4-64.9-168.2-169.385.60112.9A2 T105A2-K103 PolarHBondContact O-NZ 2.87Å; K103-T105 VanDerWaalsContact C-N 3.29Å; K103-T105 PolarHBondContact O-N 3.02Å
104C65.3Low80.2Confident90 Ų9081.9 Ų81.961%0.60843%0.434SS*.THydrogen-bonded Turntrans-74.2-18.2-178.2-57.70000113.3L102 R106L102-C104 VanDerWaalsContact C-N 3.28Å; L102-C104 PolarHBondContact O-N 3.22Å; C104-R106 PolarHBondContact O-N 3.03Å
105T70.7Confident79.7Confident37 Ų3786.6 Ų86.623%0.22745%0.451CS..  trans-83.6108.3177.3-63.30000109.8S99 L102 K103 W107 K114S99-T105 VanDerWaalsContact O-CB 3.26Å; S99-T105 WeakPolarHBondContact O-CB 3.32Å; S99-T105 WeakPolarHBondContact O-CG2 3.38Å; S99-T105 PolarHBondContact O-OG1 2.7Å; L102-T105 PolarHBondContact O-N 3.16Å; K103-T105 VanDerWaalsContact C-N 3.29Å; K103-T105 PolarHBondContact O-N 3.02Å; T105-W107 HydrophobicContact CG2-CB 4.02Å; T105-W107 HydrophobicContact CG2-CD2 4.41Å; T105-W107 HydrophobicContact CG2-CG 3.6Å; T105-W107 PolarHBondContact O-N 3.34Å; T105-K114 PolarHBondContact O-NZ 2.94Å
106R65.4Low79.3Confident247 Ų24790.4 Ų90.493%0.93247%0.468SS*.  trans-78.254175.5-163.7169.9179.4160.9-2.1111.4C104C104-R106 PolarHBondContact O-N 3.03Å
107W62.7Low79.1Confident171 Ų17187.2 Ų87.265%0.64845%0.447SS*.  trans-85.4123.7163.5-76.934.6000107.3L100 T105 G109 K114L100-W107 HydrophobicContact CD2-CD2 3.62Å; L100-W107 HydrophobicContact CD2-CE3 3.11Å; L100-W107 HydrophobicContact CD2-CG 4.46Å; L100-W107 HydrophobicContact CD2-CH2 3.74Å; L100-W107 HydrophobicContact CD2-CZ2 4.21Å; L100-W107 HydrophobicContact CD2-CZ3 3.18Å; T105-W107 HydrophobicContact CG2-CB 4.02Å; T105-W107 HydrophobicContact CG2-CD2 4.41Å; T105-W107 HydrophobicContact CG2-CG 3.6Å; T105-W107 PolarHBondContact O-N 3.34Å; W107-G109 PolarHBondContact O-N 2.89Å; W107-K114 VanDerWaalsContact O-CE 3.29Å; W107-K114 WeakPolarHBondContact O-CE 3.23Å; W107-K114 PolarHBondContact O-NZ 2.96Å
108G59.8Low79Confident88 Ų8884.6 Ų84.691%0.90743%0.434SS*.  trans-55.4129.8177.200000110.1
109G69.1Low78.9Confident51 Ų5187.2 Ų87.253%0.52645%0.447SS..  trans166.5144.4-176.900000112.3W107W107-G109 PolarHBondContact O-N 2.89Å
110G79.6Confident79.1Confident50 Ų5087.3 Ų87.352%0.51545%0.45SS..  trans-64.9151.1179.600000112.7R112 S113 K114G110-R112 PolarHBondContact O-N 3.16Å; G110-S113 PolarHBondContact O-N 3.03Å; G110-K114 PolarHBondContact O-N 3.48Å
111R78.4Confident79.4Confident236 Ų23684.6 Ų84.689%0.89144%0.436SS*.Hα-helixtrans-53.2-30178.4-67.8-172.1-71.3-116.31.8113.8R115R111-R115 PolarHBondContact O-N 2.73Å
112R81Confident80Confident208 Ų20884.3 Ų84.379%0.78543%0.433SS*.Hα-helixtrans-69.1-43.8176.5-65.3-174.2-167.6176.95.8112.2G110 R115 H116G110-R112 PolarHBondContact O-N 3.16Å; R112-R115 WeakPolarHBondContact O-CB 3.43Å; R112-R115 PolarHBondContact O-N 3.3Å; R112-H116 PolarHBondContact O-CD2 3.42Å; R112-H116 PolarHBondContact O-N 2.9Å
113S83.8Confident80.5Confident79 Ų7985.2 Ų85.255%0.55245%0.447SS*.Hα-helixtrans-63.4-46.2179.8-1790000111.4G110 R115 H116 A117G110-S113 PolarHBondContact O-N 3.03Å; S113-R115 VanDerWaalsContact C-N 3.26Å; S113-R115 PolarHBondContact O-N 3.16Å; S113-H116 PolarHBondContact O-N 3.29Å; S113-H116 VanDerWaalsContact O-N 3.12Å; S113-A117 PolarHBondContact O-N 2.91Å
114K83.8Confident81.7Confident47 Ų4780.8 Ų80.820%0.20443%0.43CS..Hα-helixtrans-58.3-37.5175.1-63.4-165.9176.8-163.80112.9T105 W107 G110 A118T105-K114 PolarHBondContact O-NZ 2.94Å; W107-K114 VanDerWaalsContact O-CE 3.29Å; W107-K114 WeakPolarHBondContact O-CE 3.23Å; W107-K114 PolarHBondContact O-NZ 2.96Å; G110-K114 PolarHBondContact O-N 3.48Å; K114-A118 WeakPolarHBondContact O-CB 3.42Å; K114-A118 PolarHBondContact O-N 2.86Å
115R84.6Confident83.3Confident99 Ų9976.5 Ų76.537%0.37440%0.401SS..Hα-helixtrans-65.2-46.7175.4-174.9-168.1174.2-153.8-1.5111.8R111 R112 S113 A117 A118 I119 C185 G187R111-R115 PolarHBondContact O-N 2.73Å; R112-R115 WeakPolarHBondContact O-CB 3.43Å; R112-R115 PolarHBondContact O-N 3.3Å; S113-R115 VanDerWaalsContact C-N 3.26Å; S113-R115 PolarHBondContact O-N 3.16Å; R115-A117 VanDerWaalsContact C-N 3.35Å; R115-A118 PolarHBondContact O-N 3.49Å; R115-I119 HydrophobicContact CG-CD1 4.09Å; R115-I119 WeakPolarHBondContact O-CG1 3.4Å; R115-I119 PolarHBondContact O-N 3.35Å; R115-C185 HydrophobicContact CG-CB 3.9Å; R115-C185 PolarHBondContact NE-O 3.02Å; R115-C185 PolarHBondContact NH2-O 3.39Å; R115-G187 PolarHBondContact NH2-O 3.28Å
116H86.9Confident84.5Confident119 Ų11976.9 Ų76.955%0.55140%0.401SS*.Hα-helixtrans-64-41.2178-71.9-66.1000111.6R112 S113 A118 I119 A120R112-H116 PolarHBondContact O-CD2 3.42Å; R112-H116 PolarHBondContact O-N 2.9Å; S113-H116 PolarHBondContact O-N 3.29Å; S113-H116 VanDerWaalsContact O-N 3.12Å; H116-A118 PolarHBondContact O-N 3.32Å; H116-I119 PolarHBondContact O-N 3.02Å; H116-A120 WeakPolarHBondContact O-CB 3.49Å; H116-A120 PolarHBondContact O-N 2.86Å
117A89.9Confident86Confident17 Ų1766.7 Ų66.714%0.1437%0.37CS..Hα-helixtrans-59.6-43.9174.400000112.3L100 S113 R115 A120 S121L100-A117 HydrophobicContact CB-CB 4.45Å; S113-A117 PolarHBondContact O-N 2.91Å; R115-A117 VanDerWaalsContact C-N 3.35Å; A117-A120 PolarHBondContact O-N 3.43Å; A117-S121 PolarHBondContact O-N 3.15Å; A117-S121 PolarHBondContact O-OG 3.48Å
118A90.3Very high87.7Confident0 Ų058.6 Ų58.60%034%0.34CS..Hα-helixtrans-66.7-35.3177.900000113.7K114 R115 H116 S121 G122 C185K114-A118 WeakPolarHBondContact O-CB 3.42Å; K114-A118 PolarHBondContact O-N 2.86Å; R115-A118 PolarHBondContact O-N 3.49Å; H116-A118 PolarHBondContact O-N 3.32Å; A118-S121 WeakPolarHBondContact CA-OG 3.48Å; A118-S121 PolarHBondContact O-OG 2.9Å; A118-G122 PolarHBondContact O-N 3.41Å; A118-C185 HydrophobicContact CB-CB 4.37Å
119I90.6Very high89.4Confident54 Ų5454.4 Ų54.428%0.27730%0.296SS..Hα-helixtrans-71.4-43.2174.9-65.6167000109.9R115 H116 S121 G122 G123 C185R115-I119 HydrophobicContact CG-CD1 4.09Å; R115-I119 WeakPolarHBondContact O-CG1 3.4Å; R115-I119 PolarHBondContact O-N 3.35Å; H116-I119 PolarHBondContact O-N 3.02Å; I119-S121 VanDerWaalsContact C-N 3.35Å; I119-S121 PolarHBondContact O-N 2.8Å; I119-G122 PolarHBondContact O-N 3.23Å; I119-G123 PolarHBondContact O-N 2.98Å; I119-C185 HydrophobicContact CD1-CB 4.38Å; I119-C185 HydrophobicContact CG1-CB 3.96Å
120A93.8Very high90.7Very high45 Ų4557.6 Ų57.637%0.37230%0.296SS..Hα-helixtrans-60.8-42.7176.400000111.7L97 H116 A117 G122 G123 C124L97-A120 HydrophobicContact CD1-CB 4.05Å; H116-A120 WeakPolarHBondContact O-CB 3.49Å; H116-A120 PolarHBondContact O-N 2.86Å; A117-A120 PolarHBondContact O-N 3.43Å; A120-G122 VanDerWaalsContact C-N 3.33Å; A120-G122 PolarHBondContact O-N 3.25Å; A120-G123 PolarHBondContact O-N 2.9Å; A120-C124 PolarHBondContact O-N 3.4Å; A120-C124 PolarHBondContact O-SG 2.88Å; A120-C124 VanDerWaalsContact O-SG 3.37Å
121S94.6Very high91.5Very high0 Ų057.1 Ų57.10%028%0.282CS..Hα-helixtrans-61.3-41.3175.5620000112.4G94 A117 A118 I119 C124 F125G94-S121 VanDerWaalsContact O-CB 3.26Å; G94-S121 WeakPolarHBondContact O-CB 3.36Å; A117-S121 PolarHBondContact O-N 3.15Å; A117-S121 PolarHBondContact O-OG 3.48Å; A118-S121 WeakPolarHBondContact CA-OG 3.48Å; A118-S121 PolarHBondContact O-OG 2.9Å; I119-S121 VanDerWaalsContact C-N 3.35Å; I119-S121 PolarHBondContact O-N 2.8Å; S121-C124 PolarHBondContact O-N 3.47Å; S121-F125 WeakPolarHBondContact O-CD2 3.4Å; S121-F125 WeakPolarHBondContact O-CG 3.21Å; S121-F125 PolarHBondContact O-N 2.73Å
122G94.6Very high92.3Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-61.1-4417600000112.3A118 I119 A120 F125 I126 G178A118-G122 PolarHBondContact O-N 3.41Å; I119-G122 PolarHBondContact O-N 3.23Å; A120-G122 VanDerWaalsContact C-N 3.33Å; A120-G122 PolarHBondContact O-N 3.25Å; G122-F125 PolarHBondContact O-N 2.94Å; G122-I126 VanDerWaalsContact O-CG1 3.3Å; G122-I126 WeakPolarHBondContact O-CG1 3.31Å; G122-I126 PolarHBondContact O-N 3.46Å; G122-G178 WeakPolarHBondContact CA-O 3.31Å
123G95.3Very high92.9Very high37 Ų3738.2 Ų38.238%0.38121%0.213SC..Hα-helixtrans-60.2-44173.700000113.1I119 A120 I126 A127I119-G123 PolarHBondContact O-N 2.98Å; A120-G123 PolarHBondContact O-N 2.9Å; G123-I126 PolarHBondContact O-N 3.19Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.5Å
124C96.7Very high93.4Very high22 Ų2238.4 Ų38.415%0.14921%0.211CC..Hα-helixtrans-61.8-42.7176.1-69.30000112.6M90 A120 S121 A127 A128M90-C124 HydrophobicContact CE-CB 4.34Å; A120-C124 PolarHBondContact O-N 3.4Å; A120-C124 PolarHBondContact O-SG 2.88Å; A120-C124 VanDerWaalsContact O-SG 3.37Å; S121-C124 PolarHBondContact O-N 3.47Å; C124-A127 PolarHBondContact O-N 2.84Å; C124-A128 WeakPolarHBondContact O-CB 3.26Å; C124-A128 PolarHBondContact O-N 3.22Å
125F97Very high93.7Very high0 Ų036.3 Ų36.30%020%0.202CC..Hα-helixtrans-66.8-40.4177.9-69.8-43.3000113A14 I18 A91 L95 A98 S121 G122 A128 G129 L174 F181A14-F125 HydrophobicContact CB-CD1 4.5Å; A14-F125 HydrophobicContact CB-CD2 4.26Å; A14-F125 HydrophobicContact CB-CE1 4.01Å; A14-F125 HydrophobicContact CB-CE2 3.73Å; A14-F125 HydrophobicContact CB-CZ 3.59Å; I18-F125 HydrophobicContact CD1-CE1 4.09Å; A91-F125 WeakPolarHBondContact O-CE1 3.47Å; L95-F125 HydrophobicContact CB-CE1 4.44Å; L95-F125 HydrophobicContact CB-CZ 4.33Å; A98-F125 HydrophobicContact CB-CE2 3.96Å; A98-F125 HydrophobicContact CB-CZ 4.15Å; S121-F125 WeakPolarHBondContact O-CD2 3.4Å; S121-F125 WeakPolarHBondContact O-CG 3.21Å; S121-F125 PolarHBondContact O-N 2.73Å; G122-F125 PolarHBondContact O-N 2.94Å; F125-A128 PolarHBondContact O-N 2.97Å; F125-G129 PolarHBondContact O-N 3.19Å; F125-L174 HydrophobicContact CD1-CD2 4Å; F125-F181 HydrophobicContact CD2-CD2 4.08Å; F125-F181 AromaticContact CE2-CD2 3.96Å; F125-F181 HydrophobicContact CE2-CD2 3.96Å; F125-F181 AromaticContact CE2-CE2 3.97Å; F125-F181 HydrophobicContact CE2-CE2 3.97Å
126I97.2Very high94.1Very high44 Ų4431.6 Ų31.623%0.22619%0.185CC..Hα-helixtrans-62.8-46.4175.3-69.7170.4000110G122 G123 A128 G129 F130 F175G122-I126 VanDerWaalsContact O-CG1 3.3Å; G122-I126 WeakPolarHBondContact O-CG1 3.31Å; G122-I126 PolarHBondContact O-N 3.46Å; G123-I126 PolarHBondContact O-N 3.19Å; I126-A128 PolarHBondContact O-N 3.07Å; I126-G129 PolarHBondContact O-N 2.91Å; I126-F130 HydrophobicContact CG2-CD2 3.87Å; I126-F130 HydrophobicContact CG2-CE2 3.5Å; I126-F130 WeakPolarHBondContact O-CD2 3.24Å; I126-F130 PolarHBondContact O-N 3.36Å; I126-F175 HydrophobicContact CB-CD1 4.49Å; I126-F175 HydrophobicContact CG1-CD1 4.42Å; I126-F175 HydrophobicContact CG2-CD1 4.18Å; I126-F175 HydrophobicContact CG2-CE1 3.92Å; I126-F175 WeakPolarHBondContact O-CE1 3.5Å
127A97.1Very high94.3Very high34 Ų3428.8 Ų28.828%0.28118%0.178SC..Hα-helixtrans-61.3-42.8176.400000112.1M90 G123 C124 G129 F130 L131M90-A127 HydrophobicContact CE-CB 3.89Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.5Å; C124-A127 PolarHBondContact O-N 2.84Å; A127-G129 VanDerWaalsContact C-N 3.35Å; A127-G129 PolarHBondContact O-N 3.33Å; A127-F130 PolarHBondContact O-N 2.99Å; A127-L131 WeakPolarHBondContact O-CG 3.23Å; A127-L131 PolarHBondContact O-N 3.46Å
128A97.2Very high94.4Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-61.9-40.917500000112.4S87 M90 A91 C124 F125 I126 L131 C132 L174S87-A128 WeakPolarHBondContact O-CB 3.38Å; S87-A128 PolarHBondContact OG-O 3.45Å; M90-A128 HydrophobicContact CB-CB 3.93Å; A91-A128 HydrophobicContact CB-CB 3.84Å; C124-A128 WeakPolarHBondContact O-CB 3.26Å; C124-A128 PolarHBondContact O-N 3.22Å; F125-A128 PolarHBondContact O-N 2.97Å; I126-A128 PolarHBondContact O-N 3.07Å; A128-L131 PolarHBondContact O-N 3.45Å; A128-C132 PolarHBondContact O-N 2.96Å; A128-L174 HydrophobicContact CB-CD1 4.27Å
129G96.5Very high94.3Very high0 Ų035.1 Ų35.10%020%0.199CC..Hα-helixtrans-58.6-46.9174.200000112.3F125 I126 A127 L131 C132 L133F125-G129 PolarHBondContact O-N 3.19Å; I126-G129 PolarHBondContact O-N 2.91Å; A127-G129 VanDerWaalsContact C-N 3.35Å; A127-G129 PolarHBondContact O-N 3.33Å; G129-L131 PolarHBondContact O-N 3.03Å; G129-C132 PolarHBondContact O-N 3.39Å; G129-L133 PolarHBondContact O-N 3.28Å
130F96.9Very high94.1Very high119 Ų11934.5 Ų34.552%0.52220%0.198SC..Hα-helixtrans-60.9-46.3175.7-77.8-62.6000112.2I126 A127 C132 L133 V134 F175I126-F130 HydrophobicContact CG2-CD2 3.87Å; I126-F130 HydrophobicContact CG2-CE2 3.5Å; I126-F130 WeakPolarHBondContact O-CD2 3.24Å; I126-F130 PolarHBondContact O-N 3.36Å; A127-F130 PolarHBondContact O-N 2.99Å; F130-C132 PolarHBondContact O-N 3.39Å; F130-L133 PolarHBondContact O-N 2.9Å; F130-L133 VanDerWaalsContact O-N 3.13Å; F130-V134 WeakPolarHBondContact O-CG2 3.4Å; F130-V134 PolarHBondContact O-N 3.23Å; F130-V134 VanDerWaalsContact O-N 3.14Å; F130-F175 HydrophobicContact CB-CZ 4.3Å; F130-F175 HydrophobicContact CD1-CE1 4.11Å; F130-F175 AromaticContact CD1-CZ 3.59Å; F130-F175 HydrophobicContact CD1-CZ 3.59Å; F130-F175 AromaticContact CD2-CE1 3.68Å; F130-F175 HydrophobicContact CD2-CE1 3.68Å; F130-F175 AromaticContact CD2-CZ 3.88Å; F130-F175 HydrophobicContact CD2-CZ 3.88Å; F130-F175 AromaticContact CE1-CE1 3.97Å; F130-F175 HydrophobicContact CE1-CE1 3.97Å; F130-F175 AromaticContact CE1-CZ 3.75Å; F130-F175 HydrophobicContact CE1-CZ 3.75Å; F130-F175 AromaticContact CE2-CE1 3.55Å; F130-F175 HydrophobicContact CE2-CE1 3.55Å; F130-F175 HydrophobicContact CE2-CZ 4.06Å; F130-F175 AromaticContact CG-CE1 3.96Å; F130-F175 HydrophobicContact CG-CE1 3.96Å; F130-F175 AromaticContact CG-CZ 3.64Å; F130-F175 HydrophobicContact CG-CZ 3.64Å; F130-F175 AromaticContact CZ-CE1 3.69Å; F130-F175 HydrophobicContact CZ-CE1 3.69Å; F130-F175 AromaticContact CZ-CZ 3.97Å; F130-F175 HydrophobicContact CZ-CZ 3.97Å; F130-F175 VanDerWaalsContact N-CZ 3.34Å
131L95.4Very high93.9Very high40 Ų4037 Ų3721%0.20920%0.204CC..Hα-helixtrans-62.1-27.1178-71.4167.8000113.1L86 M90 A127 A128 G129 P135L86-L131 HydrophobicContact CB-CD1 4.34Å; L86-L131 HydrophobicContact CD2-CD1 3.91Å; L86-L131 HydrophobicContact CD2-CD2 4.07Å; L86-L131 HydrophobicContact CG-CD1 3.79Å; M90-L131 HydrophobicContact CG-CD1 4.11Å; A127-L131 WeakPolarHBondContact O-CG 3.23Å; A127-L131 PolarHBondContact O-N 3.46Å; A128-L131 PolarHBondContact O-N 3.45Å; G129-L131 PolarHBondContact O-N 3.03Å; L131-P135 WeakPolarHBondContact O-CD 3.45Å
132C94.8Very high93.5Very high0 Ų040.5 Ų40.50%022%0.221CC..Hα-helixtrans-79.9-35.2174.4-165.90000112.4A128 G129 F130 P135 A171A128-C132 PolarHBondContact O-N 2.96Å; G129-C132 PolarHBondContact O-N 3.39Å; F130-C132 PolarHBondContact O-N 3.39Å; C132-P135 WeakPolarHBondContact O-CD 3.23Å; C132-P135 WeakPolarHBondContact O-CG 3.46Å; C132-A171 HydrophobicContact CB-CB 4.28Å
133L94.7Very high92.9Very high46 Ų4641 Ų4124%0.24122%0.224CC..Hα-helixtrans-69-34.9177.7-76.3-175000113.7G129 F130 A136 S137 F168 A171 F175G129-L133 PolarHBondContact O-N 3.28Å; F130-L133 PolarHBondContact O-N 2.9Å; F130-L133 VanDerWaalsContact O-N 3.13Å; L133-A136 PolarHBondContact O-N 3.05Å; L133-S137 VanDerWaalsContact O-CB 3.3Å; L133-S137 WeakPolarHBondContact O-CB 3.3Å; L133-S137 PolarHBondContact O-N 3.06Å; L133-S137 PolarHBondContact O-OG 2.92Å; L133-F168 HydrophobicContact CD2-CD1 3.51Å; L133-F168 HydrophobicContact CD2-CE1 3.78Å; L133-A171 HydrophobicContact CD2-CB 3.58Å; L133-A171 HydrophobicContact CG-CB 3.7Å; L133-F175 HydrophobicContact CD1-CD2 4.49Å; L133-F175 HydrophobicContact CD1-CE2 3.48Å; L133-F175 VanDerWaalsContact CD1-CE2 3.48Å; L133-F175 HydrophobicContact CD1-CZ 4.08Å; L133-F175 HydrophobicContact CG-CE2 4.06Å
134V93.7Very high92.4Very high84 Ų8443.2 Ų43.251%0.50923%0.226SC..Hα-helixtrans-53.6-57.1-179.6170.30000112.3F130 S137 W138F130-V134 WeakPolarHBondContact O-CG2 3.4Å; F130-V134 PolarHBondContact O-N 3.23Å; F130-V134 VanDerWaalsContact O-N 3.14Å; V134-S137 PolarHBondContact O-N 3.37Å; V134-W138 PolarHBondContact O-N 3.29Å; V134-W138 VanDerWaalsContact O-N 3.07Å
135P91Very high91.7Very high3 Ų345.3 Ų45.32%0.01924%0.239CC..Hα-helixtrans-65.8-41.3177.925.5-33.8000111.9W30 A80 T83 M84 L131 C132 S137 W138 F139W30-P135 HydrophobicContact CH2-CB 4.44Å; W30-P135 HydrophobicContact CZ3-CB 4.41Å; A80-P135 HydrophobicContact CB-CB 3.83Å; T83-P135 WeakPolarHBondContact OG1-CG 3.39Å; M84-P135 HydrophobicContact CG-CB 4.42Å; M84-P135 HydrophobicContact CG-CG 3.84Å; M84-P135 HydrophobicContact SD-CG 3.58Å; M84-P135 VanDerWaalsContact SD-CG 3.58Å; L131-P135 WeakPolarHBondContact O-CD 3.45Å; C132-P135 WeakPolarHBondContact O-CD 3.23Å; C132-P135 WeakPolarHBondContact O-CG 3.46Å; P135-S137 VanDerWaalsContact C-N 3.32Å; P135-S137 PolarHBondContact O-N 2.91Å; P135-W138 PolarHBondContact O-N 3.47Å; P135-F139 VanDerWaalsContact O-CD2 3.26Å; P135-F139 WeakPolarHBondContact O-CD2 3.45Å; P135-F139 PolarHBondContact O-N 3.27Å
136A91.6Very high90.9Very high0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-56.9-46.5178.600000112L133 F139 T140 A167 F168L133-A136 PolarHBondContact O-N 3.05Å; A136-F139 PolarHBondContact O-N 3.29Å; A136-T140 PolarHBondContact O-N 2.85Å; A136-T140 PolarHBondContact O-OG1 2.97Å; A136-A167 HydrophobicContact CB-CB 4.08Å; A136-F168 HydrophobicContact CB-CD1 4.48Å; A136-F168 HydrophobicContact CB-CD2 4.16Å; A136-F168 HydrophobicContact CB-CE1 4.16Å; A136-F168 HydrophobicContact CB-CE2 3.82Å; A136-F168 HydrophobicContact CB-CG 4.47Å; A136-F168 HydrophobicContact CB-CZ 3.82Å
137S92.6Very high89.9Confident59 Ų5949.6 Ų49.641%0.41326%0.258SS..Hα-helixtrans-65.6-39.7178.3-52.20000111.9L133 V134 P135 T140 N141L133-S137 VanDerWaalsContact O-CB 3.3Å; L133-S137 WeakPolarHBondContact O-CB 3.3Å; L133-S137 PolarHBondContact O-N 3.06Å; L133-S137 PolarHBondContact O-OG 2.92Å; V134-S137 PolarHBondContact O-N 3.37Å; P135-S137 VanDerWaalsContact C-N 3.32Å; P135-S137 PolarHBondContact O-N 2.91Å; S137-T140 PolarHBondContact O-N 2.61Å; S137-N141 WeakPolarHBondContact O-CB 3.44Å; S137-N141 PolarHBondContact O-N 3.07Å
138W90.9Very high89.1Confident143 Ų14354.2 Ų54.254%0.54228%0.277SS..Hα-helixtrans-63.7-48.3176.9-163.5-73000111.7V134 P135 T140 N141 E142V134-W138 PolarHBondContact O-N 3.29Å; V134-W138 VanDerWaalsContact O-N 3.07Å; P135-W138 PolarHBondContact O-N 3.47Å; W138-T140 VanDerWaalsContact C-N 3.33Å; W138-T140 PolarHBondContact O-N 3.43Å; W138-N141 PolarHBondContact O-N 3.43Å; W138-E142 PolarHBondContact NE1-OE1 2.91Å; W138-E142 WeakPolarHBondContact O-CG 3.41Å; W138-E142 PolarHBondContact O-N 2.95Å
139F87.4Confident88.1Confident8 Ų858.2 Ų58.24%0.03530%0.299CS..Hα-helixtrans-62-40.8177.6-87.6-83.5000111.9W30 L50 Y76 L77 A80 P135 A136 E142 V143 V164W30-F139 HydrophobicContact CB-CE1 4.35Å; W30-F139 HydrophobicContact CD2-CE2 4.45Å; W30-F139 HydrophobicContact CE3-CB 4.25Å; W30-F139 HydrophobicContact CE3-CD1 4.24Å; W30-F139 AromaticContact CE3-CD2 3.39Å; W30-F139 HydrophobicContact CE3-CD2 3.39Å; W30-F139 HydrophobicContact CE3-CE1 4.47Å; W30-F139 AromaticContact CE3-CE2 3.68Å; W30-F139 HydrophobicContact CE3-CE2 3.68Å; W30-F139 AromaticContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CZ 4.22Å; W30-F139 AromaticContact CZ3-CD2 3.56Å; W30-F139 HydrophobicContact CZ3-CD2 3.56Å; W30-F139 HydrophobicContact CZ3-CE2 4.01Å; W30-F139 HydrophobicContact CZ3-CG 4.18Å; L50-F139 HydrophobicContact CD1-CE2 3.75Å; L50-F139 HydrophobicContact CD1-CZ 3.78Å; Y76-F139 HydrophobicContact CE2-CE1 4.12Å; Y76-F139 HydrophobicContact CE2-CZ 4.08Å; L77-F139 HydrophobicContact CD2-CZ 4.09Å; A80-F139 HydrophobicContact CB-CE2 3.74Å; P135-F139 VanDerWaalsContact O-CD2 3.26Å; P135-F139 WeakPolarHBondContact O-CD2 3.45Å; P135-F139 PolarHBondContact O-N 3.27Å; A136-F139 PolarHBondContact O-N 3.29Å; F139-E142 PolarHBondContact O-N 2.96Å; F139-V143 WeakPolarHBondContact O-CB 3.44Å; F139-V143 VanDerWaalsContact O-CG2 3.23Å; F139-V143 WeakPolarHBondContact O-CG2 3.15Å; F139-V143 PolarHBondContact O-N 3.31Å; F139-V164 HydrophobicContact CB-CG2 4.31Å
140T87.8Confident86.5Confident41 Ų4170 Ų7025%0.25234%0.343SS..Hα-helixtrans-63.1-41.9174.5-60.60000111.8A136 S137 W138 V143 I144A136-T140 PolarHBondContact O-N 2.85Å; A136-T140 PolarHBondContact O-OG1 2.97Å; S137-T140 PolarHBondContact O-N 2.61Å; W138-T140 VanDerWaalsContact C-N 3.33Å; W138-T140 PolarHBondContact O-N 3.43Å; T140-V143 PolarHBondContact O-N 3.47Å; T140-I144 HydrophobicContact CG2-CD1 3.71Å; T140-I144 HydrophobicContact CG2-CG1 4.41Å; T140-I144 VanDerWaalsContact O-CG1 3.24Å; T140-I144 WeakPolarHBondContact O-CG1 3.31Å; T140-I144 PolarHBondContact O-N 3.22Å
141N89.3Confident85.1Confident96 Ų9669.1 Ų69.151%0.51335%0.352SS..Hα-helixtrans-62.3-48.5177.4-169.924.1000111.4S137 W138 V143 I144 T145S137-N141 WeakPolarHBondContact O-CB 3.44Å; S137-N141 PolarHBondContact O-N 3.07Å; W138-N141 PolarHBondContact O-N 3.43Å; N141-V143 VanDerWaalsContact C-N 3.3Å; N141-V143 PolarHBondContact O-N 3.3Å; N141-I144 PolarHBondContact O-N 3.34Å; N141-I144 VanDerWaalsContact O-N 3.15Å; N141-T145 WeakPolarHBondContact O-CG2 3.46Å; N141-T145 PolarHBondContact O-N 2.96Å; N141-T145 PolarHBondContact O-OG1 3.45Å
142E85.3Confident83.5Confident74 Ų7469 Ų6935%0.34635%0.353SS..Hα-helixtrans-55.4-44.3175.2-76.6-80.6170.900112.3W138 F139 T145 N146W138-E142 PolarHBondContact NE1-OE1 2.91Å; W138-E142 WeakPolarHBondContact O-CG 3.41Å; W138-E142 PolarHBondContact O-N 2.95Å; F139-E142 PolarHBondContact O-N 2.96Å; E142-T145 WeakPolarHBondContact CA-OG1 3.49Å; E142-T145 PolarHBondContact O-N 3.02Å; E142-T145 PolarHBondContact O-OG1 2.96Å; E142-N146 WeakPolarHBondContact O-CB 3.42Å; E142-N146 PolarHBondContact O-N 3.43Å; E142-N146 PolarHBondContact O-ND2 3.21Å
143V82.8Confident81.7Confident11 Ų1176.4 Ų76.47%0.06739%0.387CS..Hα-helixtrans-62.1-47.4177.31670000110.4F139 T140 N141 N146 F147 F158 P160F139-V143 WeakPolarHBondContact O-CB 3.44Å; F139-V143 VanDerWaalsContact O-CG2 3.23Å; F139-V143 WeakPolarHBondContact O-CG2 3.15Å; F139-V143 PolarHBondContact O-N 3.31Å; T140-V143 PolarHBondContact O-N 3.47Å; N141-V143 VanDerWaalsContact C-N 3.3Å; N141-V143 PolarHBondContact O-N 3.3Å; V143-N146 PolarHBondContact O-N 3.45Å; V143-F147 HydrophobicContact CG1-CD2 3.67Å; V143-F147 HydrophobicContact CG1-CE2 3.41Å; V143-F147 VanDerWaalsContact CG1-CE2 3.41Å; V143-F147 WeakPolarHBondContact O-CD2 3.39Å; V143-F147 PolarHBondContact O-N 2.73Å; V143-F158 WeakPolarHBondContact CG1-O 3.25Å; V143-P160 HydrophobicContact CG1-CB 4.3Å; V143-P160 HydrophobicContact CG1-CG 4.48Å
144I84.1Confident79.9Confident83 Ų8380.5 Ų80.543%0.42641%0.405SS..Hα-helixtrans-63.2-44.5179.3-68.7166.2000111.5T140 N141 N146 F147 L148T140-I144 HydrophobicContact CG2-CD1 3.71Å; T140-I144 HydrophobicContact CG2-CG1 4.41Å; T140-I144 VanDerWaalsContact O-CG1 3.24Å; T140-I144 WeakPolarHBondContact O-CG1 3.31Å; T140-I144 PolarHBondContact O-N 3.22Å; N141-I144 PolarHBondContact O-N 3.34Å; N141-I144 VanDerWaalsContact O-N 3.15Å; I144-N146 VanDerWaalsContact C-N 3.33Å; I144-N146 PolarHBondContact O-N 3.47Å; I144-F147 PolarHBondContact O-N 3.37Å; I144-L148 HydrophobicContact CG2-CD1 3.58Å; I144-L148 HydrophobicContact CG2-CG 4.48Å; I144-L148 WeakPolarHBondContact O-CD1 3.46Å; I144-L148 WeakPolarHBondContact O-CG 3.09Å; I144-L148 PolarHBondContact O-N 2.95Å
145T83.3Confident78.1Confident67 Ų6777.7 Ų77.741%0.41139%0.389SS..Hα-helixtrans-64.6-39.2178.555.40000111.6N141 E142 F147 L148 D149N141-T145 WeakPolarHBondContact O-CG2 3.46Å; N141-T145 PolarHBondContact O-N 2.96Å; N141-T145 PolarHBondContact O-OG1 3.45Å; E142-T145 WeakPolarHBondContact CA-OG1 3.49Å; E142-T145 PolarHBondContact O-N 3.02Å; E142-T145 PolarHBondContact O-OG1 2.96Å; T145-F147 VanDerWaalsContact C-N 3.33Å; T145-F147 PolarHBondContact O-N 3.03Å; T145-L148 PolarHBondContact O-N 2.97Å; T145-D149 PolarHBondContact O-N 3.37Å
146N79.7Confident76.5Confident50 Ų5081.5 Ų81.527%0.26741%0.409SS..Hα-helixtrans-64.9-35.1174.6-82.2-65.3000112.6E142 V143 I144 F158E142-N146 WeakPolarHBondContact O-CB 3.42Å; E142-N146 PolarHBondContact O-N 3.43Å; E142-N146 PolarHBondContact O-ND2 3.21Å; V143-N146 PolarHBondContact O-N 3.45Å; I144-N146 VanDerWaalsContact C-N 3.33Å; I144-N146 PolarHBondContact O-N 3.47Å; N146-F158 HydrophobicContact CB-CD2 4.42Å
147F77.1Confident75.3Confident84 Ų8484.8 Ų84.837%0.36842%0.423SS..Hα-helixtrans-70.4-33.7174.5-82.5-64.5000113.7V143 I144 T145 K157 F158 E159V143-F147 HydrophobicContact CG1-CD2 3.67Å; V143-F147 HydrophobicContact CG1-CE2 3.41Å; V143-F147 VanDerWaalsContact CG1-CE2 3.41Å; V143-F147 WeakPolarHBondContact O-CD2 3.39Å; V143-F147 PolarHBondContact O-N 2.73Å; I144-F147 PolarHBondContact O-N 3.37Å; T145-F147 VanDerWaalsContact C-N 3.33Å; T145-F147 PolarHBondContact O-N 3.03Å; F147-K157 HydrophobicContact CD1-CB 4.22Å; F147-K157 HydrophobicContact CD1-CD 4.24Å; F147-K157 HydrophobicContact CD1-CG 4.29Å; F147-K157 HydrophobicContact CE1-CB 3.86Å; F147-K157 HydrophobicContact CE1-CD 4.33Å; F147-K157 HydrophobicContact CE1-CG 4.37Å; F147-F158 WeakPolarHBondContact CE2-O 3.28Å; F147-F158 WeakPolarHBondContact CZ-O 3.35Å; F147-E159 HydrophobicContact CZ-CG 4.24Å
148L78.4Confident74.2Confident130 Ų13083.8 Ų83.868%0.68141%0.412SS*.Hα-helixtrans-81.1-22.1-178.2-75.6161000112.9I144 T145 R150I144-L148 HydrophobicContact CG2-CD1 3.58Å; I144-L148 HydrophobicContact CG2-CG 4.48Å; I144-L148 WeakPolarHBondContact O-CD1 3.46Å; I144-L148 WeakPolarHBondContact O-CG 3.09Å; I144-L148 PolarHBondContact O-N 2.95Å; T145-L148 PolarHBondContact O-N 2.97Å; L148-R150 PolarHBondContact O-N 3.47Å
149D78.1Confident73.7Confident84 Ų8482.2 Ų82.245%0.44941%0.411SS..  trans-73.3106.9179.2-158.1-44.1000111T145 S151 V152T145-D149 PolarHBondContact O-N 3.37Å; D149-S151 PolarHBondContact O-N 3.25Å; D149-S151 VanDerWaalsContact OD1-CB 3.28Å; D149-S151 WeakPolarHBondContact OD1-CB 3.32Å; D149-S151 PolarHBondContact OD1-N 2.98Å; D149-S151 PolarHBondContact OD1-OG 3.18Å; D149-V152 HydrophobicContact CB-CG2 4.15Å; D149-V152 PolarHBondContact O-N 2.83Å
150R62.9Low73.4Confident248 Ų24884 Ų8494%0.93642%0.422SS*.THydrogen-bonded Turntrans-71.8-7.2179.9-65.9-162.3-171.8-175.74114L148 V152L148-R150 PolarHBondContact O-N 3.47Å; R150-V152 VanDerWaalsContact C-N 3.29Å
151S65.8Low73.2Confident100 Ų10082 Ų8270%0.69941%0.411SS*.THydrogen-bonded Turntrans-80.9-12.617771.50000113.1D149D149-S151 PolarHBondContact O-N 3.25Å; D149-S151 VanDerWaalsContact OD1-CB 3.28Å; D149-S151 WeakPolarHBondContact OD1-CB 3.32Å; D149-S151 PolarHBondContact OD1-N 2.98Å; D149-S151 PolarHBondContact OD1-OG 3.18Å
152V63.1Low73.1Confident39 Ų3979.4 Ų79.424%0.23641%0.407CS..SBendtrans-89.2124.6180-173.90000109.8D149 R150 N156D149-V152 HydrophobicContact CB-CG2 4.15Å; D149-V152 PolarHBondContact O-N 2.83Å; R150-V152 VanDerWaalsContact C-N 3.29Å; V152-N156 HydrophobicContact CG1-CB 3.55Å
153H56.9Low73.4Confident154 Ų15475.9 Ų75.971%0.71339%0.39SS*.  trans-61.7144.8178.3-142.566.5000110.8S155 N156H153-S155 PolarHBondContact O-N 3.5Å; H153-N156 PolarHBondContact O-N 3.48Å
154E56.9Low73.8Confident132 Ų13275.6 Ų75.662%0.61739%0.388SS*.G310 helixtrans-51.1-29.3-176-67.7-72130.500113.9N156 K157E154-N156 VanDerWaalsContact C-N 3.26Å; E154-N156 PolarHBondContact O-N 2.95Å; E154-K157 VanDerWaalsContact CD-CE 3.49Å; E154-K157 VanDerWaalsContact OE1-CE 3.24Å; E154-K157 WeakPolarHBondContact OE1-CE 3.1Å; E154-K157 IonicContact OE1-NZ 3.13Å; E154-K157 PolarHBondContact OE1-NZ 3.2Å; E154-K157 WeakPolarHBondContact OE2-CE 3.47Å; E154-K157 IonicContact OE2-NZ 2.65Å; E154-K157 PolarHBondContact OE2-NZ 2.96Å
155S54.4Low74.2Confident26 Ų2678 Ų7818%0.18239%0.393CS..G310 helixtrans-70.7-11.5177.3-53.20000114.9V36 H153V36-S155 PolarHBondContact O-OG 3.15Å; H153-S155 PolarHBondContact O-N 3.5Å
156N58.1Low74.8Confident82 Ų8276.9 Ų76.944%0.43939%0.386SS..G310 helixtrans-109.115.3-176.9-118.830.5000113.7V152 H153 E154 F158V152-N156 HydrophobicContact CG1-CB 3.55Å; H153-N156 PolarHBondContact O-N 3.48Å; E154-N156 VanDerWaalsContact C-N 3.26Å; E154-N156 PolarHBondContact O-N 2.95Å; N156-F158 VanDerWaalsContact O-CD2 3.32Å; N156-F158 WeakPolarHBondContact O-CD2 3.21Å; N156-F158 WeakPolarHBondContact O-CE2 3.25Å; N156-F158 PolarHBondContact O-N 3.35Å
157K65.9Low75.5Confident69 Ų6974.5 Ų74.530%0.337%0.373SS..PPolyproline II helixtrans-73.4126.5179.3-71.4-178.7173.3178.20110.9F147 E154F147-K157 HydrophobicContact CD1-CB 4.22Å; F147-K157 HydrophobicContact CD1-CD 4.24Å; F147-K157 HydrophobicContact CD1-CG 4.29Å; F147-K157 HydrophobicContact CE1-CB 3.86Å; F147-K157 HydrophobicContact CE1-CD 4.33Å; F147-K157 HydrophobicContact CE1-CG 4.37Å; E154-K157 VanDerWaalsContact CD-CE 3.49Å; E154-K157 VanDerWaalsContact OE1-CE 3.24Å; E154-K157 WeakPolarHBondContact OE1-CE 3.1Å; E154-K157 IonicContact OE1-NZ 3.13Å; E154-K157 PolarHBondContact OE1-NZ 3.2Å; E154-K157 WeakPolarHBondContact OE2-CE 3.47Å; E154-K157 IonicContact OE2-NZ 2.65Å; E154-K157 PolarHBondContact OE2-NZ 2.96Å
158F69.9Low76.4Confident39 Ų3974.1 Ų74.117%0.17137%0.372CS..EExtended strand (participates in β ladder)trans-94.1122.9-179.6-70.2-93.5000110.7K31 V32 S33 V143 N146 F147 N156K31-F158 HydrophobicContact CB-CD1 4.45Å; K31-F158 HydrophobicContact CD-CD1 4.11Å; K31-F158 HydrophobicContact CD-CE1 4.21Å; V32-F158 CarbonylContact O-C 3.57Å; V32-F158 WeakPolarHBondContact O-CA 3.19Å; S33-F158 WeakPolarHBondContact OG-CD1 3.15Å; S33-F158 WeakPolarHBondContact OG-CE1 3.15Å; V143-F158 WeakPolarHBondContact CG1-O 3.25Å; N146-F158 HydrophobicContact CB-CD2 4.42Å; F147-F158 WeakPolarHBondContact CE2-O 3.28Å; F147-F158 WeakPolarHBondContact CZ-O 3.35Å; N156-F158 VanDerWaalsContact O-CD2 3.32Å; N156-F158 WeakPolarHBondContact O-CD2 3.21Å; N156-F158 WeakPolarHBondContact O-CE2 3.25Å; N156-F158 PolarHBondContact O-N 3.35Å
159E80.9Confident77.3Confident110 Ų11073 Ų7351%0.51437%0.366SS..EExtended strand (participates in β ladder)trans-86.6146.2171-66.3-179.9108.600111.7V32 F147 G161V32-E159 HydrophobicContact CB-CB 4.48Å; V32-E159 PolarHBondContact N-O 3.35Å; V32-E159 PolarHBondContact O-N 3.35Å; F147-E159 HydrophobicContact CZ-CG 4.24Å; E159-G161 PolarHBondContact O-N 3.45Å
160P80.1Confident78.1Confident44 Ų4469.1 Ų69.129%0.28635%0.345SS..EExtended strand (participates in β ladder)trans-66.6122.617527.2-32000109.9V143 Y165V143-P160 HydrophobicContact CG1-CB 4.3Å; V143-P160 HydrophobicContact CG1-CG 4.48Å; P160-Y165 HydrophobicContact CB-CE2 4.33Å; P160-Y165 HydrophobicContact CG-CE2 4.42Å; P160-Y165 WeakPolarHBondContact CG-OH 3.1Å
161G84.5Confident79.8Confident1 Ų157.3 Ų57.31%0.0130%0.3CS..PPolyproline II helixtrans-74.7157.2-17900000113.4N29 W30 E159 A163 V164N29-G161 CarbonylContact O-C 3.59Å; N29-G161 WeakPolarHBondContact O-CA 3.45Å; W30-G161 PolarHBondContact O-N 3.02Å; W30-G161 VanDerWaalsContact O-N 3.11Å; E159-G161 PolarHBondContact O-N 3.45Å; G161-A163 PolarHBondContact O-N 2.98Å; G161-A163 VanDerWaalsContact O-N 3.09Å; G161-V164 PolarHBondContact O-N 3Å; G161-V164 VanDerWaalsContact O-N 3.12Å
162G87.9Confident81.3Confident41 Ų4154 Ų5442%0.42328%0.283SS..Hα-helixtrans-53.1-30.7179.700000114.7N29 V164 Y165 V166N29-G162 PolarHBondContact O-N 3.26Å; G162-V164 VanDerWaalsContact C-N 3.3Å; G162-V164 PolarHBondContact O-N 3.31Å; G162-Y165 PolarHBondContact O-N 3.46Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.23Å
163A90.7Very high82.9Confident0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-65.9-31.5-178.400000112.9L27 N29 W30 G161 V166 A167L27-A163 HydrophobicContact CB-CB 3.99Å; L27-A163 HydrophobicContact CD2-CB 4.43Å; N29-A163 WeakPolarHBondContact O-CB 3.43Å; N29-A163 PolarHBondContact O-N 3.44Å; W30-A163 HydrophobicContact CD2-CB 4.31Å; W30-A163 HydrophobicContact CG-CB 4.05Å; G161-A163 PolarHBondContact O-N 2.98Å; G161-A163 VanDerWaalsContact O-N 3.09Å; A163-V166 PolarHBondContact O-N 2.84Å; A163-A167 PolarHBondContact O-N 3.45Å
164V91.8Very high84.8Confident5 Ų548.5 Ų48.53%0.0325%0.254CS..Hα-helixtrans-65.8-43178.7179.20000110.4W30 F139 G161 G162 V166 A167 F168W30-V164 HydrophobicContact CD2-CG2 4.43Å; W30-V164 HydrophobicContact CE3-CG2 3.8Å; W30-V164 HydrophobicContact CZ3-CG2 4.3Å; W30-V164 VanDerWaalsContact O-CG2 3.32Å; W30-V164 WeakPolarHBondContact O-CG2 3.34Å; F139-V164 HydrophobicContact CB-CG2 4.31Å; G161-V164 PolarHBondContact O-N 3Å; G161-V164 VanDerWaalsContact O-N 3.12Å; G162-V164 VanDerWaalsContact C-N 3.3Å; G162-V164 PolarHBondContact O-N 3.31Å; V164-V166 PolarHBondContact O-N 3.06Å; V164-A167 WeakPolarHBondContact O-CB 2.73Å; V164-A167 PolarHBondContact O-N 3.44Å; V164-F168 HydrophobicContact CG1-CD2 3.94Å; V164-F168 HydrophobicContact CG1-CE2 3.64Å; V164-F168 VanDerWaalsContact O-CD2 3.23Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 2.94Å
165Y92.8Very high86.7Confident133 Ų13344.3 Ų44.352%0.52223%0.233SC..Hα-helixtrans-62.7-42.1175.6-62.2-77000112.2P160 G162 A167 F168 L169P160-Y165 HydrophobicContact CB-CE2 4.33Å; P160-Y165 HydrophobicContact CG-CE2 4.42Å; P160-Y165 WeakPolarHBondContact CG-OH 3.1Å; G162-Y165 PolarHBondContact O-N 3.46Å; Y165-A167 VanDerWaalsContact C-N 3.31Å; Y165-A167 PolarHBondContact O-N 2.98Å; Y165-F168 PolarHBondContact O-N 3.47Å; Y165-L169 WeakPolarHBondContact O-CG 3.14Å; Y165-L169 PolarHBondContact O-N 3.48Å
166V94.7Very high88.7Confident44 Ų4446.4 Ų46.427%0.26725%0.245SC..Hα-helixtrans-63.8-37.6176.2177.80000111.1G20 V23 A24 G162 A163 V164 L169 S170G20-V166 WeakPolarHBondContact O-CG1 3.08Å; V23-V166 HydrophobicContact CG1-CG1 4.47Å; A24-V166 HydrophobicContact CB-CB 4.47Å; A24-V166 HydrophobicContact CB-CG1 4.25Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.23Å; A163-V166 PolarHBondContact O-N 2.84Å; V164-V166 PolarHBondContact O-N 3.06Å; V166-L169 PolarHBondContact O-N 3.23Å; V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 3.48Å
167A94.9Very high90.4Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-63.4-43.8175.100000112.1A24 W30 A136 A163 V164 Y165 S170 A171A24-A167 HydrophobicContact CB-CB 4.07Å; W30-A167 HydrophobicContact CH2-CB 4.21Å; A136-A167 HydrophobicContact CB-CB 4.08Å; A163-A167 PolarHBondContact O-N 3.45Å; V164-A167 WeakPolarHBondContact O-CB 2.73Å; V164-A167 PolarHBondContact O-N 3.44Å; Y165-A167 VanDerWaalsContact C-N 3.31Å; Y165-A167 PolarHBondContact O-N 2.98Å; A167-S170 PolarHBondContact O-N 2.93Å; A167-A171 WeakPolarHBondContact O-CB 3.4Å; A167-A171 PolarHBondContact O-N 3.46Å
168F95.7Very high91.8Very high76 Ų7639.2 Ų39.233%0.33321%0.21SC..Hα-helixtrans-62.6-46.1174.7-80.5-68.1000112.6L133 A136 V164 Y165 A171 G172L133-F168 HydrophobicContact CD2-CD1 3.51Å; L133-F168 HydrophobicContact CD2-CE1 3.78Å; A136-F168 HydrophobicContact CB-CD1 4.48Å; A136-F168 HydrophobicContact CB-CD2 4.16Å; A136-F168 HydrophobicContact CB-CE1 4.16Å; A136-F168 HydrophobicContact CB-CE2 3.82Å; A136-F168 HydrophobicContact CB-CG 4.47Å; A136-F168 HydrophobicContact CB-CZ 3.82Å; V164-F168 HydrophobicContact CG1-CD2 3.94Å; V164-F168 HydrophobicContact CG1-CE2 3.64Å; V164-F168 VanDerWaalsContact O-CD2 3.23Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 2.94Å; Y165-F168 PolarHBondContact O-N 3.47Å; F168-A171 PolarHBondContact O-N 2.92Å; F168-G172 PolarHBondContact O-N 3.49Å
169L96.8Very high92.9Very high106 Ų10640 Ų4056%0.55522%0.22SC*.Hα-helixtrans-61-45.8176.9-74.3168.1000111.4Y165 V166 G172 F173Y165-L169 WeakPolarHBondContact O-CG 3.14Å; Y165-L169 PolarHBondContact O-N 3.48Å; V166-L169 PolarHBondContact O-N 3.23Å; L169-G172 PolarHBondContact O-N 2.75Å; L169-F173 VanDerWaalsContact O-CD2 3.3Å; L169-F173 WeakPolarHBondContact O-CD2 2.82Å; L169-F173 WeakPolarHBondContact O-CG 2.88Å; L169-F173 PolarHBondContact O-N 3.06Å
170S96.4Very high93.5Very high2 Ų236.6 Ų36.61%0.01421%0.205CC..Hα-helixtrans-58-49.7176.1166.90000111.8G17 A21 V166 A167 G172 F173 L174G17-S170 PolarHBondContact O-OG 2.84Å; A21-S170 WeakPolarHBondContact CA-OG 3.44Å; A21-S170 WeakPolarHBondContact CB-OG 3.32Å; A21-S170 PolarHBondContact N-OG 3.39Å; V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 3.48Å; A167-S170 PolarHBondContact O-N 2.93Å; S170-G172 VanDerWaalsContact C-N 3.3Å; S170-G172 PolarHBondContact O-N 3.11Å; S170-F173 PolarHBondContact O-N 3.17Å; S170-L174 WeakPolarHBondContact O-CG 3.43Å; S170-L174 PolarHBondContact O-N 2.95Å
171A96.9Very high94Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-59.3-43.1177.900000111.4C132 L133 A167 F168 F173 L174 F175C132-A171 HydrophobicContact CB-CB 4.28Å; L133-A171 HydrophobicContact CD2-CB 3.58Å; L133-A171 HydrophobicContact CG-CB 3.7Å; A167-A171 WeakPolarHBondContact O-CB 3.4Å; A167-A171 PolarHBondContact O-N 3.46Å; F168-A171 PolarHBondContact O-N 2.92Å; A171-F173 PolarHBondContact O-N 3.21Å; A171-L174 PolarHBondContact O-N 3.31Å; A171-F175 HydrophobicContact CB-CE2 4.36Å; A171-F175 WeakPolarHBondContact O-CD2 2.82Å; A171-F175 PolarHBondContact O-N 3.31Å
172G97Very high94.2Very high32 Ų3236 Ų3633%0.3320%0.201SC..Hα-helixtrans-56.3-47.8174.700000112.6F168 L169 S170 L174 F175 V176F168-G172 PolarHBondContact O-N 3.49Å; L169-G172 PolarHBondContact O-N 2.75Å; S170-G172 VanDerWaalsContact C-N 3.3Å; S170-G172 PolarHBondContact O-N 3.11Å; G172-L174 PolarHBondContact O-N 2.91Å; G172-F175 PolarHBondContact O-N 2.69Å; G172-V176 VanDerWaalsContact O-CG2 3.32Å; G172-V176 WeakPolarHBondContact O-CG2 2.8Å; G172-V176 PolarHBondContact O-N 2.74Å
173F97.4Very high94.1Very high77 Ų7739.2 Ų39.234%0.33821%0.212SC..Hα-helixtrans-64-38.8176.9-63.5-38.8000113L13 L16 L169 S170 A171 G177L13-F173 HydrophobicContact CD2-CD1 3.91Å; L13-F173 HydrophobicContact CD2-CE1 4.37Å; L16-F173 HydrophobicContact CB-CD2 4.23Å; L169-F173 VanDerWaalsContact O-CD2 3.3Å; L169-F173 WeakPolarHBondContact O-CD2 2.82Å; L169-F173 WeakPolarHBondContact O-CG 2.88Å; L169-F173 PolarHBondContact O-N 3.06Å; S170-F173 PolarHBondContact O-N 3.17Å; A171-F173 PolarHBondContact O-N 3.21Å; F173-G177 PolarHBondContact O-N 3.02Å
174L96.8Very high93.6Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-64.8-40.7175.1-69.9173.7000112.1I18 A91 F125 A128 S170 A171 G172 G178I18-L174 HydrophobicContact CG1-CD2 4.17Å; A91-L174 HydrophobicContact CB-CD2 4.41Å; F125-L174 HydrophobicContact CD1-CD2 4Å; A128-L174 HydrophobicContact CB-CD1 4.27Å; S170-L174 WeakPolarHBondContact O-CG 3.43Å; S170-L174 PolarHBondContact O-N 2.95Å; A171-L174 PolarHBondContact O-N 3.31Å; G172-L174 PolarHBondContact O-N 2.91Å; L174-G178 PolarHBondContact O-N 3.26Å
175F97.1Very high92.2Very high43 Ų4340.8 Ų40.819%0.18922%0.224CC..Hα-helixtrans-65.6-47.4176-80.9-61.5000112.5I126 F130 L133 A171 G172 G178 S179I126-F175 HydrophobicContact CB-CD1 4.49Å; I126-F175 HydrophobicContact CG1-CD1 4.42Å; I126-F175 HydrophobicContact CG2-CD1 4.18Å; I126-F175 HydrophobicContact CG2-CE1 3.92Å; I126-F175 WeakPolarHBondContact O-CE1 3.5Å; F130-F175 HydrophobicContact CB-CZ 4.3Å; F130-F175 HydrophobicContact CD1-CE1 4.11Å; F130-F175 AromaticContact CD1-CZ 3.59Å; F130-F175 HydrophobicContact CD1-CZ 3.59Å; F130-F175 AromaticContact CD2-CE1 3.68Å; F130-F175 HydrophobicContact CD2-CE1 3.68Å; F130-F175 AromaticContact CD2-CZ 3.88Å; F130-F175 HydrophobicContact CD2-CZ 3.88Å; F130-F175 AromaticContact CE1-CE1 3.97Å; F130-F175 HydrophobicContact CE1-CE1 3.97Å; F130-F175 AromaticContact CE1-CZ 3.75Å; F130-F175 HydrophobicContact CE1-CZ 3.75Å; F130-F175 AromaticContact CE2-CE1 3.55Å; F130-F175 HydrophobicContact CE2-CE1 3.55Å; F130-F175 HydrophobicContact CE2-CZ 4.06Å; F130-F175 AromaticContact CG-CE1 3.96Å; F130-F175 HydrophobicContact CG-CE1 3.96Å; F130-F175 AromaticContact CG-CZ 3.64Å; F130-F175 HydrophobicContact CG-CZ 3.64Å; F130-F175 AromaticContact CZ-CE1 3.69Å; F130-F175 HydrophobicContact CZ-CE1 3.69Å; F130-F175 AromaticContact CZ-CZ 3.97Å; F130-F175 HydrophobicContact CZ-CZ 3.97Å; F130-F175 VanDerWaalsContact N-CZ 3.34Å; L133-F175 HydrophobicContact CD1-CD2 4.49Å; L133-F175 HydrophobicContact CD1-CE2 3.48Å; L133-F175 VanDerWaalsContact CD1-CE2 3.48Å; L133-F175 HydrophobicContact CD1-CZ 4.08Å; L133-F175 HydrophobicContact CG-CE2 4.06Å; A171-F175 HydrophobicContact CB-CE2 4.36Å; A171-F175 WeakPolarHBondContact O-CD2 2.82Å; A171-F175 PolarHBondContact O-N 3.31Å; G172-F175 PolarHBondContact O-N 2.69Å; F175-G178 PolarHBondContact O-N 3.18Å; F175-S179 VanDerWaalsContact O-CB 3.24Å; F175-S179 WeakPolarHBondContact O-CB 3.3Å; F175-S179 PolarHBondContact O-N 3.22Å; F175-S179 PolarHBondContact O-OG 3.47Å
176V96.4Very high90.6Very high71 Ų7138 Ų3843%0.4322%0.224SC..Hα-helixtrans-64.4-48.1179.8176.30000109.7L13 G172 G178 S179 I180L13-V176 HydrophobicContact CD1-CB 4.23Å; L13-V176 HydrophobicContact CD1-CG1 3.58Å; G172-V176 VanDerWaalsContact O-CG2 3.32Å; G172-V176 WeakPolarHBondContact O-CG2 2.8Å; G172-V176 PolarHBondContact O-N 2.74Å; V176-G178 PolarHBondContact O-N 3.06Å; V176-S179 PolarHBondContact O-N 3.48Å; V176-I180 HydrophobicContact CG1-CD1 3.81Å; V176-I180 WeakPolarHBondContact O-CD1 3.37Å; V176-I180 VanDerWaalsContact O-CG1 3.23Å; V176-I180 WeakPolarHBondContact O-CG1 3.26Å; V176-I180 PolarHBondContact O-N 3.01Å
177G94.5Very high88.5Confident0 Ų038.4 Ų38.40%024%0.236CC..Hα-helixtrans-57.7-50.1175.500000112.1F173 S179 I180 F181F173-G177 PolarHBondContact O-N 3.02Å; G177-S179 PolarHBondContact O-N 2.57Å; G177-I180 PolarHBondContact O-N 2.77Å; G177-F181 WeakPolarHBondContact O-CD2 3.08Å; G177-F181 PolarHBondContact O-N 3.27Å
178G94.5Very high86Confident0 Ų048 Ų480%028%0.278CS..Hα-helixtrans-61.8-42.9179.600000113.5G122 L174 F175 V176 I180 F181 C182G122-G178 WeakPolarHBondContact CA-O 3.31Å; L174-G178 PolarHBondContact O-N 3.26Å; F175-G178 PolarHBondContact O-N 3.18Å; V176-G178 PolarHBondContact O-N 3.06Å; G178-I180 PolarHBondContact O-N 3.12Å; G178-F181 PolarHBondContact O-N 3.29Å; G178-C182 PolarHBondContact O-N 3.02Å; G178-C182 PolarHBondContact O-SG 3.11Å; G178-C182 VanDerWaalsContact O-SG 3.38Å
179S93.6Very high83.4Confident54 Ų5455.4 Ų55.438%0.37830%0.304SS..Hα-helixtrans-62.8-43.5177.1-59.40000111.6F175 V176 G177 F181 C182 V183F175-S179 VanDerWaalsContact O-CB 3.24Å; F175-S179 WeakPolarHBondContact O-CB 3.3Å; F175-S179 PolarHBondContact O-N 3.22Å; F175-S179 PolarHBondContact O-OG 3.47Å; V176-S179 PolarHBondContact O-N 3.48Å; G177-S179 PolarHBondContact O-N 2.57Å; S179-F181 VanDerWaalsContact C-N 3.33Å; S179-F181 PolarHBondContact O-N 3.34Å; S179-C182 PolarHBondContact O-N 2.97Å; S179-V183 VanDerWaalsContact O-CG2 3.31Å; S179-V183 WeakPolarHBondContact O-CG2 3.24Å; S179-V183 PolarHBondContact O-N 3.35Å
180I92.6Very high80.8Confident40 Ų4056.7 Ų56.721%0.20532%0.318CS..Hα-helixtrans-63.6-40.6176.6-63.2163.3000110.5F9 A10 L13 V176 G177 G178 V183 S184F9-I180 HydrophobicContact CD1-CD1 4.28Å; F9-I180 HydrophobicContact CE1-CD1 4.48Å; A10-I180 HydrophobicContact CB-CB 3.8Å; A10-I180 HydrophobicContact CB-CD1 4.31Å; A10-I180 HydrophobicContact CB-CG2 3.64Å; L13-I180 HydrophobicContact CD1-CD1 4.46Å; V176-I180 HydrophobicContact CG1-CD1 3.81Å; V176-I180 WeakPolarHBondContact O-CD1 3.37Å; V176-I180 VanDerWaalsContact O-CG1 3.23Å; V176-I180 WeakPolarHBondContact O-CG1 3.26Å; V176-I180 PolarHBondContact O-N 3.01Å; G177-I180 PolarHBondContact O-N 2.77Å; G178-I180 PolarHBondContact O-N 3.12Å; I180-V183 PolarHBondContact O-N 3.24Å; I180-S184 WeakPolarHBondContact O-CB 3.12Å; I180-S184 PolarHBondContact O-N 3.16Å; I180-S184 PolarHBondContact O-OG 3.09Å
181F90.3Very high77.7Confident2 Ų260.1 Ų60.11%0.00935%0.354CS..Hα-helixtrans-61.6-43174.7-86.4-68.7000112.6A10 F11 A98 L102 F125 G177 G178 S179A10-F181 HydrophobicContact CB-CD2 4.03Å; A10-F181 HydrophobicContact CB-CE2 3.79Å; A10-F181 HydrophobicContact CB-CZ 4.27Å; F11-F181 HydrophobicContact CB-CZ 4.16Å; F11-F181 HydrophobicContact CD2-CZ 4.4Å; A98-F181 HydrophobicContact CB-CE1 4.19Å; A98-F181 HydrophobicContact CB-CE2 4.31Å; A98-F181 HydrophobicContact CB-CZ 3.91Å; L102-F181 HydrophobicContact CD1-CE1 3.9Å; L102-F181 HydrophobicContact CD1-CZ 4.08Å; F125-F181 HydrophobicContact CD2-CD2 4.08Å; F125-F181 AromaticContact CE2-CD2 3.96Å; F125-F181 HydrophobicContact CE2-CD2 3.96Å; F125-F181 AromaticContact CE2-CE2 3.97Å; F125-F181 HydrophobicContact CE2-CE2 3.97Å; G177-F181 WeakPolarHBondContact O-CD2 3.08Å; G177-F181 PolarHBondContact O-N 3.27Å; G178-F181 PolarHBondContact O-N 3.29Å; S179-F181 VanDerWaalsContact C-N 3.33Å; S179-F181 PolarHBondContact O-N 3.34Å
182C89.1Confident74.8Confident30 Ų3067.4 Ų67.420%0.20339%0.388CS..Hα-helixtrans-63.3-45.6176.5-73.20000112.9G178 S179 S186G178-C182 PolarHBondContact O-N 3.02Å; G178-C182 PolarHBondContact O-SG 3.11Å; G178-C182 VanDerWaalsContact O-SG 3.38Å; S179-C182 PolarHBondContact O-N 2.97Å; C182-S186 WeakPolarHBondContact O-CB 3.37Å; C182-S186 PolarHBondContact O-N 3.37Å; C182-S186 PolarHBondContact O-OG 3.25Å
183V86.8Confident72.2Confident108 Ų10875 Ų7566%0.65542%0.415SS*.Hα-helixtrans-76.5-35.8-176.1177.60000111.6S179 I180 C185 S186S179-V183 VanDerWaalsContact O-CG2 3.31Å; S179-V183 WeakPolarHBondContact O-CG2 3.24Å; S179-V183 PolarHBondContact O-N 3.35Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-C185 PolarHBondContact O-N 3.34Å; V183-C185 VanDerWaalsContact O-N 3.08Å; V183-S186 PolarHBondContact O-N 2.9Å
184S78.4Confident69Low18 Ų1876.7 Ų76.713%0.12643%0.427CS..Hα-helixtrans-58.6-27.9-177.7-73.60000114.2A2 I180A2-S184 WeakPolarHBondContact CB-OG 3.28Å; I180-S184 WeakPolarHBondContact O-CB 3.12Å; I180-S184 PolarHBondContact O-N 3.16Å; I180-S184 PolarHBondContact O-OG 3.09Å
185C64.3Low66.5Low21 Ų2185.6 Ų85.614%0.14247%0.471CS..Hα-helixtrans-112.9-5.4-175.5-76.90000113.4R115 A118 I119 V183 G187R115-C185 HydrophobicContact CG-CB 3.9Å; R115-C185 PolarHBondContact NE-O 3.02Å; R115-C185 PolarHBondContact NH2-O 3.39Å; A118-C185 HydrophobicContact CB-CB 4.37Å; I119-C185 HydrophobicContact CD1-CB 4.38Å; I119-C185 HydrophobicContact CG1-CB 3.96Å; V183-C185 PolarHBondContact O-N 3.34Å; V183-C185 VanDerWaalsContact O-N 3.08Å; C185-G187 PolarHBondContact O-N 3.42Å
186S58.8Low63.6Low75 Ų7590.7 Ų90.752%0.52450%0.499SS..  trans-79.266.1170.1-69.50000110.6C182 V183 K188C182-S186 WeakPolarHBondContact O-CB 3.37Å; C182-S186 PolarHBondContact O-N 3.37Å; C182-S186 PolarHBondContact O-OG 3.25Å; V183-S186 PolarHBondContact O-N 2.9Å; S186-K188 PolarHBondContact O-N 2.63Å
187G49.2Very low61Low52 Ų5294.7 Ų94.754%0.53652%0.517SS..  trans-60.1117.2159.100000108.2R115 C185 R189R115-G187 PolarHBondContact NH2-O 3.28Å; C185-G187 PolarHBondContact O-N 3.42Å; G187-R189 PolarHBondContact O-N 3.13Å
188K42.7Very low58.1Low202 Ų202101.6 Ų101.688%0.87855%0.553SS**  trans-27.3118.9175.1-93.7174171.5178.60112.2S186S186-K188 PolarHBondContact O-N 2.63Å
189R42Very low56Low231 Ų231107.2 Ų107.287%0.87259%0.59SS**  -116.5130125.9-69.7-169.3179.5-167.9-1.8105.8G187G187-R189 PolarHBondContact O-N 3.13Å
190P41.7Very low53.6Low132 Ų132110.3 Ų110.386%0.85761%0.608SS**  trans-69.7139.7171.731.4-30.3000108.2
191G32.5Very low51.4Low74 Ų74113.4 Ų113.476%0.76363%0.631SS**  trans145.386.2169.300000114.7
192H35.6Very low49.4Very low154 Ų154118 Ų11871%0.71366%0.656SS**  trans65.6100131.4-135.432.7000118.2D194H192-D194 IonicContact CE1-OD2 2.79Å; H192-D194 PolarHBondContact CE1-OD2 2.96Å; H192-D194 IonicContact ND1-OD2 2.66Å; H192-D194 PolarHBondContact ND1-OD2 2.98Å; H192-D194 IonicContact NE2-OD2 3.32Å; H192-D194 PolarHBondContact NE2-OD2 3.23Å; H192-D194 PolarHBondContact O-N 3.09Å
193Q41.4Very low47.5Very low192 Ų192125.4 Ų125.490%0.89769%0.685SS**  -60.7110.5127.4-78.9-177.1-19.300106.2
194D30.7Very low45.8Very low112 Ų112125.8 Ų125.860%0.59968%0.682SS**  trans-158.5116.4138.7-89.8-33.5000108.1H192H192-D194 IonicContact CE1-OD2 2.79Å; H192-D194 PolarHBondContact CE1-OD2 2.96Å; H192-D194 IonicContact ND1-OD2 2.66Å; H192-D194 PolarHBondContact ND1-OD2 2.98Å; H192-D194 IonicContact NE2-OD2 3.32Å; H192-D194 PolarHBondContact NE2-OD2 3.23Å; H192-D194 PolarHBondContact O-N 3.09Å
195M44.1Very low44.8Very low186 Ų186129.3 Ų129.392%0.91670%0.699SS**  trans-79.8107.9161.2177-178.7-154.400105.8
196I37Very low44.4Very low151 Ų151133.5 Ų133.577%0.77472%0.719SS**  trans-160.7118.1154.8-89136.1000107.9
197L40.9Very low44.3Very low155 Ų155135.9 Ų135.981%0.81272%0.722SS**  trans33.4132.1144.7-113.8161.3000120.7
198L32.9Very low44.7Very low144 Ų144138.9 Ų138.975%0.75472%0.722SS**  trans89.4123.3165.9-108.280000118.5
199P50.7Low45.3Very low119 Ų119135.1 Ų135.177%0.77371%0.707SS**  trans-88.4142.9165.835.8-28.8000110.6
200P43.3Very low46.2Very low118 Ų118129.6 Ų129.677%0.76669%0.692SS**  trans-144.3179.2141.242.1-26000111.7
201P47.6Very low47.1Very low106 Ų106129 Ų12969%0.68868%0.678SS**  -120158.4-90.221.41.2000114.3
202N47.7Very low48.4Very low97 Ų97130.5 Ų130.552%0.51967%0.668SS.*  trans53.597.7145.2-74.6-11.3000121.7L204 I205N202-L204 HydrophobicContact CB-CB 4.14Å; N202-L204 PolarHBondContact O-N 2.89Å; N202-I205 HydrophobicContact CB-CB 4.3Å; N202-I205 HydrophobicContact CB-CD1 3.79Å; N202-I205 HydrophobicContact CB-CG1 3.74Å; N202-I205 PolarHBondContact O-N 2.95Å
203K49.7Very low49.4Very low187 Ų187128 Ų12881%0.81366%0.659SS**Hα-helixtrans-59.5-20145.3-65.6-167.2177.5-174.10113.3L206 Q207K203-L206 PolarHBondContact O-N 3.25Å; K203-Q207 PolarHBondContact O-N 2.9Å; K203-Q207 VanDerWaalsContact O-N 3.11Å
204L51.8Low50.1Low115 Ų115125 Ų12560%0.60265%0.645SS**Hα-helixtrans-63.7-37.9178.3-126.4105.3000112.4N202 Q207 Q208N202-L204 HydrophobicContact CB-CB 4.14Å; N202-L204 PolarHBondContact O-N 2.89Å; L204-Q207 PolarHBondContact O-N 3.25Å; L204-Q208 VanDerWaalsContact O-CB 3.29Å; L204-Q208 WeakPolarHBondContact O-CB 3.47Å; L204-Q208 PolarHBondContact O-N 2.75Å
205I56.3Low51.1Low92 Ų92125.7 Ų125.747%0.47264%0.644SS.*Hα-helixtrans-71-38.2-178.6-64.2168.9000110.4N202 Q208 Q209N202-I205 HydrophobicContact CB-CB 4.3Å; N202-I205 HydrophobicContact CB-CD1 3.79Å; N202-I205 HydrophobicContact CB-CG1 3.74Å; N202-I205 PolarHBondContact O-N 2.95Å; I205-Q208 PolarHBondContact O-N 3Å; I205-Q209 VanDerWaalsContact O-CB 3.28Å; I205-Q209 WeakPolarHBondContact O-CB 3.45Å; I205-Q209 PolarHBondContact O-N 2.76Å
206L56.5Low51.3Low109 Ų109123.7 Ų123.757%0.57163%0.633SS**Hα-helixtrans-68.4-40177.1-142.7-178.4000111.3K203 Q209 Q210K203-L206 PolarHBondContact O-N 3.25Å; L206-Q209 PolarHBondContact O-N 2.82Å; L206-Q210 HydrophobicContact CD2-CG 4.2Å; L206-Q210 PolarHBondContact O-N 2.79Å
207Q56.7Low51.9Low126 Ų126122.6 Ų122.659%0.58963%0.625SS**Hα-helixtrans-63.1-42.5172.2-98.2-171.7-94.200112.1K203 L204 Q209 Q210 Q211K203-Q207 PolarHBondContact O-N 2.9Å; K203-Q207 VanDerWaalsContact O-N 3.11Å; L204-Q207 PolarHBondContact O-N 3.25Å; Q207-Q209 VanDerWaalsContact C-N 3.34Å; Q207-Q210 PolarHBondContact O-N 3.4Å; Q207-Q211 WeakPolarHBondContact O-CG 3.29Å; Q207-Q211 PolarHBondContact O-N 3.5Å
208Q57.6Low52Low114 Ų114122.3 Ų122.353%0.53362%0.619SS.*Hα-helixtrans-68.5-35.1-179.8-163.3161.4-0.100111.8L204 I205 Q211 L212L204-Q208 VanDerWaalsContact O-CB 3.29Å; L204-Q208 WeakPolarHBondContact O-CB 3.47Å; L204-Q208 PolarHBondContact O-N 2.75Å; I205-Q208 PolarHBondContact O-N 3Å; Q208-Q211 PolarHBondContact O-N 2.87Å; Q208-L212 PolarHBondContact O-N 2.87Å; Q208-L212 VanDerWaalsContact O-N 3.12Å
209Q55.7Low52.4Low123 Ų123120.9 Ų120.958%0.57561%0.612SS**Hα-helixtrans-71.4-33175.7-161.6167.3-100112.4I205 L206 Q207 L213I205-Q209 VanDerWaalsContact O-CB 3.28Å; I205-Q209 WeakPolarHBondContact O-CB 3.45Å; I205-Q209 PolarHBondContact O-N 2.76Å; L206-Q209 PolarHBondContact O-N 2.82Å; Q207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-L213 PolarHBondContact O-N 2.05Å
210Q59.9Low51.8Low115 Ų115122.2 Ų122.254%0.53761%0.608SS.*Hα-helixtrans-69.8-35.4171.3-81.9178.6-59.300112.8L206 Q207 L213 Q214L206-Q210 HydrophobicContact CD2-CG 4.2Å; L206-Q210 PolarHBondContact O-N 2.79Å; Q207-Q210 PolarHBondContact O-N 3.4Å; Q210-L213 PolarHBondContact O-N 2.95Å; Q210-Q214 PolarHBondContact O-N 2.65Å; Q210-Q214 VanDerWaalsContact O-N 3.11Å
211Q59.6Low51.6Low121 Ų121123.9 Ų123.957%0.56561%0.605SS**Hα-helixtrans-67-40.9175.7-75.1-179.7-44.800112.3Q207 Q208 L213 Q214 Q215Q207-Q211 WeakPolarHBondContact O-CG 3.29Å; Q207-Q211 PolarHBondContact O-N 3.5Å; Q208-Q211 PolarHBondContact O-N 2.87Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 2.66Å; Q211-Q214 PolarHBondContact O-N 3.33Å; Q211-Q215 PolarHBondContact O-N 2.87Å
212L60.4Low51Low105 Ų105125.2 Ų125.255%0.5560%0.602SS.*Hα-helixtrans-64.3-38175.1-77.7164.4000112.4Q208 Q214 Q215 Q216Q208-L212 PolarHBondContact O-N 2.87Å; Q208-L212 VanDerWaalsContact O-N 3.12Å; L212-Q214 VanDerWaalsContact C-N 3.35Å; L212-Q215 PolarHBondContact O-N 2.96Å; L212-Q216 PolarHBondContact O-N 3.04Å; L212-Q216 VanDerWaalsContact O-N 3.12Å
213L57.5Low50.3Low102 Ų102130.1 Ų130.153%0.53462%0.615SS.*Hα-helixtrans-64.6-36.6174.3-103.4161.3000112.7Q209 Q210 Q211 Q217Q209-L213 PolarHBondContact O-N 2.05Å; Q210-L213 PolarHBondContact O-N 2.95Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 2.66Å; L213-Q217 PolarHBondContact O-N 3.47Å
214Q55.2Low49.8Very low129 Ų129126.8 Ų126.860%0.60361%0.614SS**Hα-helixtrans-70.4-36.4175.2-73.7-166.8-45.700112.6Q210 Q211 L212 Q217 Q218Q210-Q214 PolarHBondContact O-N 2.65Å; Q210-Q214 VanDerWaalsContact O-N 3.11Å; Q211-Q214 PolarHBondContact O-N 3.33Å; L212-Q214 VanDerWaalsContact C-N 3.35Å; Q214-Q217 PolarHBondContact O-N 2.84Å; Q214-Q218 PolarHBondContact O-N 3.21Å
215Q52.6Low49.1Very low126 Ų126125.5 Ų125.559%0.58961%0.614SS**Hα-helixtrans-62.1-44.1173.3-102.3177.5-38.200111.8Q211 L212 Q217 Q218 D219Q211-Q215 PolarHBondContact O-N 2.87Å; L212-Q215 PolarHBondContact O-N 2.96Å; Q215-Q217 VanDerWaalsContact C-N 3.34Å; Q215-Q217 PolarHBondContact O-N 3.39Å; Q215-Q218 PolarHBondContact O-N 2.85Å; Q215-Q218 VanDerWaalsContact O-N 3.14Å; Q215-D219 PolarHBondContact O-N 2.77Å; Q215-D219 VanDerWaalsContact O-N 3.14Å
216Q48.4Very low48.3Very low144 Ų144127.6 Ų127.667%0.67363%0.626SS**Hα-helixtrans-63.6-36177.8-73.1-151.8-6900113.5L212 Q218 Q220L212-Q216 PolarHBondContact O-N 3.04Å; L212-Q216 VanDerWaalsContact O-N 3.12Å; Q216-Q218 VanDerWaalsContact C-N 3.29Å; Q216-Q218 PolarHBondContact O-N 2.83Å; Q216-Q220 PolarHBondContact O-N 2.99Å
217Q48.4Very low47.1Very low128 Ų128127.9 Ų127.960%0.59864%0.637SS**Hα-helixtrans-68-29175.6-86-178.8-62.100113L213 Q214 Q215 H221L213-Q217 PolarHBondContact O-N 3.47Å; Q214-Q217 PolarHBondContact O-N 2.84Å; Q215-Q217 VanDerWaalsContact C-N 3.34Å; Q215-Q217 PolarHBondContact O-N 3.39Å; Q217-H221 PolarHBondContact O-N 3.01Å
218Q44.2Very low46.2Very low149 Ų149127.2 Ų127.270%0.69664%0.644SS**Hα-helixtrans-79.7-37.1-178.9-150149.5-41.700112Q214 Q215 Q216 H221 Q222Q214-Q218 PolarHBondContact O-N 3.21Å; Q215-Q218 PolarHBondContact O-N 2.85Å; Q215-Q218 VanDerWaalsContact O-N 3.14Å; Q216-Q218 VanDerWaalsContact C-N 3.29Å; Q216-Q218 PolarHBondContact O-N 2.83Å; Q218-H221 PolarHBondContact O-N 3.13Å; Q218-Q222 PolarHBondContact O-N 2.91Å
219D41Very low45.1Very low113 Ų113129.8 Ų129.860%0.60466%0.66SS**Hα-helixtrans-65-36.5171.9-83-55.8000112.5Q215 H221 Q222 Y223Q215-D219 PolarHBondContact O-N 2.77Å; Q215-D219 VanDerWaalsContact O-N 3.14Å; D219-H221 PolarHBondContact O-N 3.37Å; D219-Q222 PolarHBondContact O-N 3.01Å; D219-Y223 PolarHBondContact O-N 3.32Å
220Q37.7Very low43.8Very low147 Ų147130.9 Ų130.969%0.68767%0.67SS**Hα-helixtrans-69-33.8179.1-151-168.8-40.500112.7Q216 C224Q216-Q220 PolarHBondContact O-N 2.99Å; Q220-C224 PolarHBondContact O-N 3.39Å
221H38.8Very low42.4Very low153 Ų153132.4 Ų132.471%0.70868%0.682SS**Hα-helixtrans-71.3-31.2175.4-103.3-75.1000113Q217 Q218 D219 S225Q217-H221 PolarHBondContact O-N 3.01Å; Q218-H221 PolarHBondContact O-N 3.13Å; D219-H221 PolarHBondContact O-N 3.37Å; H221-S225 PolarHBondContact O-OG 3.03Å
222Q35Very low41Very low134 Ų134135 Ų13563%0.62669%0.691SS**Hα-helixtrans-75.8-30.5178-163.7126.8-3700112.5Q218 D219 S225Q218-Q222 PolarHBondContact O-N 2.91Å; D219-Q222 PolarHBondContact O-N 3.01Å; Q222-S225 PolarHBondContact O-OG 2.8Å
223Y32.9Very low39.6Very low200 Ų200136.9 Ų136.978%0.78471%0.707SS**Hα-helixtrans-72.2-30.1175.2-118.7-90.6000113.4D219 S225D219-Y223 PolarHBondContact O-N 3.32Å; Y223-S225 PolarHBondContact O-N 3.31Å
224C39.1Very low38.4Very low117 Ų117134.8 Ų134.879%0.79171%0.711SS**THydrogen-bonded Turntrans-74.2-8.7177.5-108.10000114.4Q220Q220-C224 PolarHBondContact O-N 3.39Å
225S36.6Very low37.2Very low88 Ų88140 Ų14062%0.61573%0.726SS**THydrogen-bonded Turntrans-105.54.3-175.327.60000114.4H221 Q222 Y223H221-S225 PolarHBondContact O-OG 3.03Å; Q222-S225 PolarHBondContact O-OG 2.8Å; Y223-S225 PolarHBondContact O-N 3.31Å
226L40.1Very low36.5Very low137 Ų137139 Ų13972%0.71773%0.734SS**  trans-129.835.8-169.9-116.3136.9000115.8
227S32.3Very low36.1Very low115 Ų115140.3 Ų140.380%0.80474%0.744SS**  trans-107.8109.3169.1-56.40000111.6
228P36.1Very low35.5Very low112 Ų112141.3 Ų141.373%0.72775%0.749SS**  trans-100140.5172.216.71.7000113.4
229L34.8Very low35Very low168 Ų168140.4 Ų140.488%0.8875%0.749SS**  trans58.6112.8156-85.7144.6000119.8
230D29.2Very low34.9Very low145 Ų145145.4 Ų145.478%0.77576%0.761SS**  -170.6143.7107.1-154.7-108.7000113.4
231N29.8Very low35Very low148 Ų148148.3 Ų148.379%0.79179%0.788SS**  trans108.6130.2148.8-139.62.7000120.8
232K30.6Very low34.8Very low176 Ų176148.1 Ų148.177%0.76579%0.792SS**  trans-91.1172.5-163.2-87.1172.2158.8175.30113.4
233T31.8Very low34.8Very low143 Ų143148.8 Ų148.888%0.87780%0.801SS**  trans86135.9156.673.60000115.1
234G31.4Very low34.9Very low59 Ų59146 Ų14661%0.60880%0.802SS**  cis177.4152.82.200000110.3
235Y31.3Very low34.7Very low237 Ų237147.7 Ų147.793%0.92980%0.802SS**  trans46.7114.8151.2-56.7-85.2000123.1
236S36.9Very low34.6Very low107 Ų107151.4 Ų151.475%0.74881%0.814SS**  trans24.3130.1131.3-154.80000121.4
237L39.8Very low34.2Very low171 Ų171152.4 Ų152.490%0.89582%0.821SS**  trans-163.3134.5131.8-115.5151.9000113.3
238Q35.2Very low34.3Very low148 Ų148155.1 Ų155.169%0.69282%0.822SS**  trans-63.6161.4174-151.586.622.300113.1
239D34.3Very low34.2Very low130 Ų130158.4 Ų158.470%0.69583%0.829SS**  trans72.1123.8156.4-66.7-57.9000119.1
240Y40.1Very low34.2Very low219 Ų219157.6 Ų157.686%0.85983%0.825SS**  173.6119.2106.6-103.5-87.4000111.6
241V39.6Very low34.6Very low208 Ų208158.7 Ų158.7100%1.26183%0.829SS**  trans79.90161.2-160.70000118.9

Retrieved 241 of 241 residues in 205.2 ms (Link to these results)

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