Q9ASM1_ORYSJ Loading...

Os01g0330200 protein

AlphaFold DB , UniProt , Accession Q9ASM1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 357 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
1M51.7Low76.4Confident205 Ų205101.3 Ų101.3100%1.0159%0.594SS**  0-44.10-70-176.2-150.300113.2S3 N4 I5M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.76Å; M1-N4 PolarHBondContact O-N 2.94Å; M1-I5 PolarHBondContact O-N 3.17Å
2A57Low77.1Confident82 Ų8298.5 Ų98.568%0.67858%0.579SS**Hα-helixtrans-56.2-39.2-17900000115N4 I5 A6A2-N4 PolarHBondContact O-N 3.39Å; A2-I5 PolarHBondContact O-N 2.92Å; A2-A6 PolarHBondContact O-N 2.77Å
3S74.6Confident77.6Confident86 Ų8692.3 Ų92.360%0.60154%0.544SS*.Hα-helixtrans-60.3-42.6177.9-172.60000112.6M1 I5 A6 V7M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.76Å; S3-I5 PolarHBondContact O-N 3.5Å; S3-A6 PolarHBondContact O-N 3.38Å; S3-V7 WeakPolarHBondContact O-CG2 3.21Å; S3-V7 PolarHBondContact O-N 2.7Å
4N79.1Confident77.9Confident117 Ų11790.6 Ų90.663%0.62654%0.535SS*.Hα-helixtrans-67.5-37.4179.2-67.11000111.7M1 A2 V7 V8M1-N4 PolarHBondContact O-N 2.94Å; A2-N4 PolarHBondContact O-N 3.39Å; N4-V7 PolarHBondContact O-N 3.16Å; N4-V8 WeakPolarHBondContact O-CB 3.13Å; N4-V8 WeakPolarHBondContact O-CG2 3.49Å; N4-V8 PolarHBondContact O-N 3.39Å
5I79.1Confident78.5Confident110 Ų11092.7 Ų92.756%0.56454%0.535SS*.Hα-helixtrans-65.2-44.3176.9-63.4171.4000110.2M1 A2 S3 V7 V8 V9M1-I5 PolarHBondContact O-N 3.17Å; A2-I5 PolarHBondContact O-N 2.92Å; S3-I5 PolarHBondContact O-N 3.5Å; I5-V7 PolarHBondContact O-N 2.92Å; I5-V8 PolarHBondContact O-N 3.02Å; I5-V9 HydrophobicContact CG2-CG2 4.3Å; I5-V9 VanDerWaalsContact O-CG2 3.29Å; I5-V9 WeakPolarHBondContact O-CG2 3.34Å; I5-V9 PolarHBondContact O-N 2.96Å
6A79.3Confident78.8Confident60 Ų6089.5 Ų89.550%0.49651%0.514SS..Hα-helixtrans-61.2-44.7178.100000111.8A2 S3 V9 L10A2-A6 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact O-N 3.38Å; A6-V9 PolarHBondContact O-N 3.44Å; A6-L10 WeakPolarHBondContact O-CB 3.28Å; A6-L10 PolarHBondContact O-N 3.05Å
7V83.1Confident78.8Confident81 Ų8185.4 Ų85.449%0.49149%0.494SS..Hα-helixtrans-62.5-44.2176.41740000111.3S3 N4 I5 L10 L11S3-V7 WeakPolarHBondContact O-CG2 3.21Å; S3-V7 PolarHBondContact O-N 2.7Å; N4-V7 PolarHBondContact O-N 3.16Å; I5-V7 PolarHBondContact O-N 2.92Å; V7-L10 PolarHBondContact O-N 3.35Å; V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 HydrophobicContact CG1-CG 4.39Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.38Å
8V84.3Confident78.9Confident85 Ų8587.3 Ų87.352%0.51550%0.501SS..Hα-helixtrans-62.4-45.7177.4170.50000111.2N4 I5 L10 L11 V12N4-V8 WeakPolarHBondContact O-CB 3.13Å; N4-V8 WeakPolarHBondContact O-CG2 3.49Å; N4-V8 PolarHBondContact O-N 3.39Å; I5-V8 PolarHBondContact O-N 3.02Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 2.82Å; V8-L11 PolarHBondContact O-N 3.42Å; V8-V12 HydrophobicContact CG1-CG2 4.37Å; V8-V12 WeakPolarHBondContact O-CB 3.4Å; V8-V12 VanDerWaalsContact O-CG2 3.26Å; V8-V12 WeakPolarHBondContact O-CG2 3.37Å; V8-V12 PolarHBondContact O-N 2.91Å
9V81.9Confident79Confident59 Ų5987.5 Ų87.536%0.35850%0.497SS..Hα-helixtrans-60.3-43.1176.41710000110.7I5 A6 V12 C13I5-V9 HydrophobicContact CG2-CG2 4.3Å; I5-V9 VanDerWaalsContact O-CG2 3.29Å; I5-V9 WeakPolarHBondContact O-CG2 3.34Å; I5-V9 PolarHBondContact O-N 2.96Å; A6-V9 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.13Å; V9-C13 WeakPolarHBondContact O-CB 3.49Å; V9-C13 PolarHBondContact O-N 3.13Å; V9-C13 PolarHBondContact O-SG 2.75Å
10L83.1Confident78.9Confident120 Ų12083.2 Ų83.263%0.62847%0.473SS*.Hα-helixtrans-63.6-45.4179.7-146.5121.3000111.5A6 V7 V8 V12 C13 T14A6-L10 WeakPolarHBondContact O-CB 3.28Å; A6-L10 PolarHBondContact O-N 3.05Å; V7-L10 PolarHBondContact O-N 3.35Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 2.82Å; L10-V12 PolarHBondContact O-N 3.36Å; L10-C13 PolarHBondContact O-N 3.41Å; L10-T14 WeakPolarHBondContact O-CG2 3.39Å; L10-T14 PolarHBondContact O-N 3.28Å; L10-T14 PolarHBondContact O-OG1 2.99Å
11L86.8Confident78.8Confident109 Ų10984 Ų8457%0.57147%0.474SS*.Hα-helixtrans-62.1-42176.8-71.9171.7000112.5V7 V8 T14 F15V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 HydrophobicContact CG1-CG 4.39Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.38Å; V8-L11 PolarHBondContact O-N 3.42Å; L11-T14 WeakPolarHBondContact CA-OG1 3.28Å; L11-T14 PolarHBondContact O-N 3.26Å; L11-T14 PolarHBondContact O-OG1 2.93Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.18Å
12V85Confident79.9Confident68 Ų6877.3 Ų77.341%0.41245%0.451SS..Hα-helixtrans-64.8-45.5176.1171.10000110.3V8 V9 L10 T14 F15 M16V8-V12 HydrophobicContact CG1-CG2 4.37Å; V8-V12 WeakPolarHBondContact O-CB 3.4Å; V8-V12 VanDerWaalsContact O-CG2 3.26Å; V8-V12 WeakPolarHBondContact O-CG2 3.37Å; V8-V12 PolarHBondContact O-N 2.91Å; V9-V12 PolarHBondContact O-N 3.13Å; L10-V12 PolarHBondContact O-N 3.36Å; V12-T14 PolarHBondContact O-N 3.21Å; V12-F15 PolarHBondContact O-N 2.9Å; V12-M16 HydrophobicContact CG1-CE 3.47Å; V12-M16 VanDerWaalsContact CG1-CE 3.47Å; V12-M16 HydrophobicContact CG1-CG 4.5Å; V12-M16 HydrophobicContact CG1-SD 3.67Å; V12-M16 WeakPolarHBondContact O-CG 3.47Å; V12-M16 PolarHBondContact O-N 2.95Å
13C84.4Confident80.7Confident18 Ų1875.2 Ų75.212%0.12243%0.434CS..Hα-helixtrans-62.9-39.5177.5-700000112.7V9 L10 A17 C57V9-C13 WeakPolarHBondContact O-CB 3.49Å; V9-C13 PolarHBondContact O-N 3.13Å; V9-C13 PolarHBondContact O-SG 2.75Å; L10-C13 PolarHBondContact O-N 3.41Å; C13-A17 WeakPolarHBondContact O-CB 3.28Å; C13-A17 PolarHBondContact O-N 2.92Å; C13-C57 HydrophobicContact CB-CB 4.01Å; C13-C57 WeakPolarHBondContact CB-SG 3.36Å; C13-C57 WeakPolarHBondContact SG-CB 3.45Å; C13-C57 CovalentContact SG-SG 2.04Å; C13-C57 PolarHBondContact SG-SG 3.45Å
14T81.8Confident80.4Confident68 Ų6873.2 Ų73.242%0.41742%0.416SS..Hα-helixtrans-68.5-37.3176.554.60000111.8L10 L11 V12 A17 L18L10-T14 WeakPolarHBondContact O-CG2 3.39Å; L10-T14 PolarHBondContact O-N 3.28Å; L10-T14 PolarHBondContact O-OG1 2.99Å; L11-T14 WeakPolarHBondContact CA-OG1 3.28Å; L11-T14 PolarHBondContact O-N 3.26Å; L11-T14 PolarHBondContact O-OG1 2.93Å; V12-T14 PolarHBondContact O-N 3.21Å; T14-A17 PolarHBondContact O-N 3Å; T14-L18 WeakPolarHBondContact O-CG 3.31Å; T14-L18 PolarHBondContact O-N 3.14Å
15F85.8Confident79.9Confident122 Ų12270.6 Ų70.654%0.53541%0.411SS..Hα-helixtrans-65.9-43.5176-175.3-103.7000111.9L11 V12 A17 L18 Q19L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.18Å; V12-F15 PolarHBondContact O-N 2.9Å; F15-A17 PolarHBondContact O-N 3.17Å; F15-L18 PolarHBondContact O-N 3.37Å; F15-Q19 HydrophobicContact CE1-CG 4.22Å; F15-Q19 HydrophobicContact CZ-CG 4.39Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.34Å; F15-Q19 WeakPolarHBondContact O-CG 3.21Å; F15-Q19 PolarHBondContact O-N 3.19Å
16M83.6Confident79.4Confident42 Ų4273.2 Ų73.221%0.20742%0.415CS..Hα-helixtrans-60.4-43.7174.5-72.9161.1166.900112.2V12 L18 Q19 A20 E60 H63V12-M16 HydrophobicContact CG1-CE 3.47Å; V12-M16 VanDerWaalsContact CG1-CE 3.47Å; V12-M16 HydrophobicContact CG1-CG 4.5Å; V12-M16 HydrophobicContact CG1-SD 3.67Å; V12-M16 WeakPolarHBondContact O-CG 3.47Å; V12-M16 PolarHBondContact O-N 2.95Å; M16-L18 PolarHBondContact O-N 3.22Å; M16-Q19 PolarHBondContact O-N 3.07Å; M16-A20 PolarHBondContact O-N 3.4Å; M16-E60 VanDerWaalsContact CE-OE2 3.22Å; M16-E60 WeakPolarHBondContact CE-OE2 3Å; M16-E60 HydrophobicContact SD-CB 4.18Å; M16-H63 HydrophobicContact CB-CB 4.12Å
17A78.8Confident78.5Confident20 Ų2072.6 Ų72.617%0.16540%0.4CS..Hα-helixtrans-61.7-43.3175.800000111.9C13 T14 F15 Q19 A20 M21C13-A17 WeakPolarHBondContact O-CB 3.28Å; C13-A17 PolarHBondContact O-N 2.92Å; T14-A17 PolarHBondContact O-N 3Å; F15-A17 PolarHBondContact O-N 3.17Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.37Å; A17-A20 PolarHBondContact O-N 3.3Å; A17-M21 WeakPolarHBondContact O-CB 3.46Å; A17-M21 WeakPolarHBondContact O-CG 3.4Å; A17-M21 PolarHBondContact O-N 2.63Å
18L81.2Confident77.4Confident120 Ų12073.6 Ų73.663%0.62840%0.403SS*.Hα-helixtrans-62.1-38.9176.7-75.7164.9000112.4T14 F15 M16 A22T14-L18 WeakPolarHBondContact O-CG 3.31Å; T14-L18 PolarHBondContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 3.37Å; M16-L18 PolarHBondContact O-N 3.22Å; L18-A22 WeakPolarHBondContact O-CB 3.06Å; L18-A22 PolarHBondContact O-N 2.89Å
19Q80.3Confident76.4Confident91 Ų9176.6 Ų76.643%0.42542%0.416SS..Hα-helixtrans-66.1-41.8174.9-71.3-172.4-24.500112.2F15 M16 A17 A22 A23F15-Q19 HydrophobicContact CE1-CG 4.22Å; F15-Q19 HydrophobicContact CZ-CG 4.39Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.34Å; F15-Q19 WeakPolarHBondContact O-CG 3.21Å; F15-Q19 PolarHBondContact O-N 3.19Å; M16-Q19 PolarHBondContact O-N 3.07Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.37Å; Q19-A22 PolarHBondContact O-N 3.14Å; Q19-A23 PolarHBondContact O-N 3.06Å; Q19-A23 VanDerWaalsContact O-N 3.07Å
20A77.3Confident75.3Confident1 Ų179.1 Ų79.11%0.00843%0.427CS..Hα-helixtrans-62.7-47175.900000111.4M16 A17 A22 A23 D24 E62M16-A20 PolarHBondContact O-N 3.4Å; A17-A20 PolarHBondContact O-N 3.3Å; A20-A22 VanDerWaalsContact C-N 3.3Å; A20-A22 PolarHBondContact O-N 3.23Å; A20-A23 WeakPolarHBondContact O-CB 3.25Å; A20-A23 PolarHBondContact O-N 3.22Å; A20-D24 PolarHBondContact O-N 3.25Å; A20-E62 HydrophobicContact CB-CB 4.06Å
21M76.6Confident73.9Confident99 Ų9976.7 Ų76.749%0.48843%0.432SS..Hα-helixtrans-60.6-38.2177.6-65.3-87.2157.300112.2A17 D24 A25 E62A17-M21 WeakPolarHBondContact O-CB 3.46Å; A17-M21 WeakPolarHBondContact O-CG 3.4Å; A17-M21 PolarHBondContact O-N 2.63Å; M21-D24 PolarHBondContact O-N 3.02Å; M21-A25 WeakPolarHBondContact O-CB 3.27Å; M21-A25 PolarHBondContact O-N 3.44Å; M21-E62 WeakPolarHBondContact CE-OE1 3.45Å
22A75.5Confident72.3Confident65 Ų6571.9 Ų71.954%0.53741%0.408SS..Hα-helixtrans-67-37.4174.800000112.2L18 Q19 A20 Y26L18-A22 WeakPolarHBondContact O-CB 3.06Å; L18-A22 PolarHBondContact O-N 2.89Å; Q19-A22 PolarHBondContact O-N 3.14Å; A20-A22 VanDerWaalsContact C-N 3.3Å; A20-A22 PolarHBondContact O-N 3.23Å; A22-Y26 WeakPolarHBondContact O-CB 3.42Å; A22-Y26 PolarHBondContact O-N 3.48Å
23A72.2Confident70.8Confident38 Ų3871 Ų7131%0.31441%0.412SS..Hα-helixtrans-68.6-39.7175.300000112.1Q19 A20 Y26 Y27Q19-A23 PolarHBondContact O-N 3.06Å; Q19-A23 VanDerWaalsContact O-N 3.07Å; A20-A23 WeakPolarHBondContact O-CB 3.25Å; A20-A23 PolarHBondContact O-N 3.22Å; A23-Y26 PolarHBondContact O-N 3.43Å; A23-Y27 WeakPolarHBondContact O-CB 3.4Å; A23-Y27 PolarHBondContact O-N 3.33Å
24D70Confident69.3Low44 Ų4472.8 Ų72.824%0.23544%0.435CS..Hα-helixtrans-64.9-48174.9-70.5-15.2000111.3A20 M21 Y26 Y27 D28 R69A20-D24 PolarHBondContact O-N 3.25Å; M21-D24 PolarHBondContact O-N 3.02Å; D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.15Å; D24-Y27 WeakPolarHBondContact O-CA 3.11Å; D24-Y27 WeakPolarHBondContact O-CB 3.33Å; D24-Y27 PolarHBondContact O-N 3.41Å; D24-D28 PolarHBondContact O-N 2.91Å; D24-R69 IonicContact OD1-CZ 3.43Å; D24-R69 IonicContact OD1-NH1 3.26Å; D24-R69 PolarHBondContact OD1-NH1 2.86Å; D24-R69 IonicContact OD1-NH2 3.25Å; D24-R69 PolarHBondContact OD1-NH2 3.27Å
25A67.8Low68.3Low62 Ų6272 Ų7251%0.51244%0.44SS..Hα-helixtrans-59.4-37.8176.300000112M21 Y27 N29M21-A25 WeakPolarHBondContact O-CB 3.27Å; M21-A25 PolarHBondContact O-N 3.44Å; A25-Y27 VanDerWaalsContact C-N 3.33Å; A25-N29 WeakPolarHBondContact O-CB 3.45Å; A25-N29 PolarHBondContact O-N 3Å
26Y68.5Low68Low166 Ų16668.7 Ų68.765%0.65143%0.428SS*.Hα-helixtrans-65.4-36.2173.5-179.5-97.7000112.4A22 A23 D24 N30A22-Y26 WeakPolarHBondContact O-CB 3.42Å; A22-Y26 PolarHBondContact O-N 3.48Å; A23-Y26 PolarHBondContact O-N 3.43Å; D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.15Å; Y26-N30 PolarHBondContact O-N 3.38Å; Y26-N30 PolarHBondContact OH-ND2 3.43Å
27Y60Low68Low46 Ų4668.1 Ų68.118%0.1843%0.425CS..Hα-helixtrans-72.8-46.1179.7-175.9-112.5000113A23 D24 A25 N29 N30 G31 G32 R73A23-Y27 WeakPolarHBondContact O-CB 3.4Å; A23-Y27 PolarHBondContact O-N 3.33Å; D24-Y27 WeakPolarHBondContact O-CA 3.11Å; D24-Y27 WeakPolarHBondContact O-CB 3.33Å; D24-Y27 PolarHBondContact O-N 3.41Å; A25-Y27 VanDerWaalsContact C-N 3.33Å; Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.33Å; Y27-N30 PolarHBondContact O-N 3.43Å; Y27-N30 VanDerWaalsContact O-N 3.09Å; Y27-G31 PolarHBondContact O-N 3.26Å; Y27-G32 PolarHBondContact O-N 2.84Å; Y27-G32 VanDerWaalsContact O-N 3.15Å; Y27-R73 VanDerWaalsContact CD2-CZ 3.46Å; Y27-R73 VanDerWaalsContact CZ-CZ 3.47Å; Y27-R73 PolarHBondContact OH-NH2 2.83Å
28D61.6Low68.5Low103 Ų10370.8 Ų70.855%0.55144%0.443SS*.Hα-helixtrans-59.3-39.8175.4-83.7-7.3000110.9D24 N30 G31D24-D28 PolarHBondContact O-N 2.91Å; D28-N30 PolarHBondContact O-N 3.21Å; D28-G31 PolarHBondContact O-N 3.24Å
29N62.3Low69Low147 Ų14768.6 Ų68.679%0.78644%0.435SS*.Hα-helixtrans-68.8-20.5179-130.816.9000113.6A25 Y27A25-N29 WeakPolarHBondContact O-CB 3.45Å; A25-N29 PolarHBondContact O-N 3Å; Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.33Å
30N58.1Low69.7Low112 Ų11264.3 Ų64.360%0.59942%0.415SS*.THydrogen-bonded Turntrans-101.919.1179-85.8-14.1000113.5Y26 Y27 D28Y26-N30 PolarHBondContact O-N 3.38Å; Y26-N30 PolarHBondContact OH-ND2 3.43Å; Y27-N30 PolarHBondContact O-N 3.43Å; Y27-N30 VanDerWaalsContact O-N 3.09Å; D28-N30 PolarHBondContact O-N 3.21Å
31G54.7Low70.6Confident70 Ų7067.1 Ų67.172%0.72243%0.428SS*.THydrogen-bonded Turntrans87.320.617200000114.9Y27 D28 G33Y27-G31 PolarHBondContact O-N 3.26Å; D28-G31 PolarHBondContact O-N 3.24Å; G31-G33 PolarHBondContact O-N 2.55Å
32G53.9Low71.5Confident8 Ų867.8 Ų67.88%0.08243%0.43CS..  trans-69.199.816800000111.8Y27 G34Y27-G32 PolarHBondContact O-N 2.84Å; Y27-G32 VanDerWaalsContact O-N 3.15Å; G32-G34 PolarHBondContact O-N 2.93Å
33G51.7Low72.5Confident48 Ų4867.2 Ų67.250%0.49542%0.417SS..  trans-70.1126177.900000111.5G31 G35 D36G31-G33 PolarHBondContact O-N 2.55Å; G33-G35 PolarHBondContact O-N 2.82Å; G33-D36 PolarHBondContact O-N 2.89Å
34G53.1Low73.8Confident57 Ų5765.4 Ų65.459%0.58840%0.402SS*.Hα-helixtrans-54.3-6.5-178.600000117.1G32G32-G34 PolarHBondContact O-N 2.93Å
35G61.7Low75.1Confident51 Ų5167.7 Ų67.753%0.52641%0.411SS..Hα-helixtrans-69.1-39.2167.500000114G33 D37 S38G33-G35 PolarHBondContact O-N 2.82Å; G35-D37 VanDerWaalsContact C-N 3.32Å; G35-D37 PolarHBondContact O-N 3.2Å; G35-S38 PolarHBondContact O-N 2.84Å; G35-S38 PolarHBondContact O-OG 3.46Å
36D79Confident76.5Confident53 Ų5370.3 Ų70.328%0.28341%0.413SS..Hα-helixtrans-68.7-32.3-178.6-170.338.3000111.7G33 T40 R76G33-D36 PolarHBondContact O-N 2.89Å; D36-T40 WeakPolarHBondContact O-CB 3.32Å; D36-T40 PolarHBondContact O-N 2.94Å; D36-T40 PolarHBondContact O-OG1 2.76Å; D36-R76 IonicContact OD1-NH1 2.75Å; D36-R76 PolarHBondContact OD1-NH1 2.79Å; D36-R76 VanDerWaalsContact OD1-NH1 3.14Å
37D83.8Confident77.9Confident29 Ų2962.9 Ų62.916%0.15538%0.384CS..Hα-helixtrans-70.3-38.3179.5-88.426.5000112.4G35 V39 T40 M41 R69 R73G35-D37 VanDerWaalsContact C-N 3.32Å; G35-D37 PolarHBondContact O-N 3.2Å; D37-V39 PolarHBondContact O-N 3.39Å; D37-T40 PolarHBondContact O-N 3.4Å; D37-M41 WeakPolarHBondContact O-CB 2.95Å; D37-M41 PolarHBondContact O-N 3.12Å; D37-R69 VanDerWaalsContact OD1-CD 3.3Å; D37-R69 WeakPolarHBondContact OD1-CD 3.42Å; D37-R69 IonicContact OD1-NH1 3.98Å; D37-R69 IonicContact OD2-CZ 2.69Å; D37-R69 IonicContact OD2-NH1 2.69Å; D37-R69 PolarHBondContact OD2-NH1 3.42Å; D37-R73 IonicContact OD1-NH2 2.84Å
38S89.4Confident79.7Confident77 Ų7761.9 Ų61.954%0.53838%0.381SS..Hα-helixtrans-62.9-43.4176.270.40000112.6G35 M41 Q42G35-S38 PolarHBondContact O-N 2.84Å; G35-S38 PolarHBondContact O-OG 3.46Å; S38-M41 PolarHBondContact O-N 2.72Å; S38-Q42 PolarHBondContact O-N 3.35Å; S38-Q42 VanDerWaalsContact O-N 3.11Å
39V92.7Very high81.5Confident74 Ų7461 Ų6145%0.44839%0.387SS..Hα-helixtrans-65.5-43.2175.9178.90000110.1D37 M41 Q42 M43D37-V39 PolarHBondContact O-N 3.39Å; V39-M41 VanDerWaalsContact C-N 3.32Å; V39-M41 PolarHBondContact O-N 3.22Å; V39-Q42 PolarHBondContact O-N 2.88Å; V39-M43 WeakPolarHBondContact O-CG 3.37Å; V39-M43 PolarHBondContact O-N 2.84Å
40T94.5Very high83.2Confident1 Ų161.4 Ų61.41%0.00638%0.382CS..Hα-helixtrans-67.4-34.3179.4-55.60000111.7D36 D37 M43 F44 F65 F68 R69D36-T40 WeakPolarHBondContact O-CB 3.32Å; D36-T40 PolarHBondContact O-N 2.94Å; D36-T40 PolarHBondContact O-OG1 2.76Å; D37-T40 PolarHBondContact O-N 3.4Å; T40-M43 WeakPolarHBondContact O-CB 3.32Å; T40-M43 PolarHBondContact O-N 2.62Å; T40-F44 WeakPolarHBondContact O-CB 3.43Å; T40-F44 PolarHBondContact O-N 2.86Å; T40-F65 HydrophobicContact CG2-CE2 3.96Å; T40-F65 HydrophobicContact CG2-CZ 4.35Å; T40-F68 HydrophobicContact CG2-CD1 4.22Å; T40-F68 HydrophobicContact CG2-CE1 4.32Å; T40-R69 HydrophobicContact CG2-CB 4Å; T40-R69 HydrophobicContact CG2-CG 4.04Å
41M95.2Very high85Confident59 Ų5958.2 Ų58.229%0.29136%0.363SS..Hα-helixtrans-65.6-42.2174.6-173.960.3164.900111.6D37 S38 V39 M43 F44 E45 F65D37-M41 WeakPolarHBondContact O-CB 2.95Å; D37-M41 PolarHBondContact O-N 3.12Å; S38-M41 PolarHBondContact O-N 2.72Å; V39-M41 VanDerWaalsContact C-N 3.32Å; V39-M41 PolarHBondContact O-N 3.22Å; M41-M43 VanDerWaalsContact C-N 3.34Å; M41-M43 PolarHBondContact O-N 3Å; M41-F44 WeakPolarHBondContact O-CB 3.29Å; M41-F44 PolarHBondContact O-N 3.35Å; M41-F44 VanDerWaalsContact O-N 3.15Å; M41-F44 HydrophobicContact SD-CD1 4.01Å; M41-E45 WeakPolarHBondContact O-CG 3.38Å; M41-E45 PolarHBondContact O-N 3.37Å; M41-F65 HydrophobicContact CB-CE2 3.88Å; M41-F65 HydrophobicContact CB-CZ 3.82Å; M41-F65 HydrophobicContact CG-CE2 4.49Å; M41-F65 HydrophobicContact SD-CD1 4.24Å; M41-F65 HydrophobicContact SD-CD2 3.68Å; M41-F65 HydrophobicContact SD-CE1 4.37Å; M41-F65 HydrophobicContact SD-CE2 3.85Å; M41-F65 HydrophobicContact SD-CG 3.89Å; M41-F65 HydrophobicContact SD-CZ 4.18Å
42Q96.1Very high87Confident114 Ų11457.8 Ų57.853%0.53336%0.359SS..Hα-helixtrans-59.6-46172.1-175.5-176.7-500111.3S38 V39 F44 E45 E46S38-Q42 PolarHBondContact O-N 3.35Å; S38-Q42 VanDerWaalsContact O-N 3.11Å; V39-Q42 PolarHBondContact O-N 2.88Å; Q42-F44 VanDerWaalsContact C-N 3.25Å; Q42-F44 PolarHBondContact O-N 3.25Å; Q42-E45 PolarHBondContact O-N 3.4Å; Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.5Å; Q42-E46 PolarHBondContact O-N 2.76Å
43M96.8Very high89.1Confident52 Ų5259.5 Ų59.526%0.25636%0.364SS..Hα-helixtrans-58.3-38.8175.3-69.717861.500112.1V39 T40 M41 W47 F68 V72 R76 I90V39-M43 WeakPolarHBondContact O-CG 3.37Å; V39-M43 PolarHBondContact O-N 2.84Å; T40-M43 WeakPolarHBondContact O-CB 3.32Å; T40-M43 PolarHBondContact O-N 2.62Å; M41-M43 VanDerWaalsContact C-N 3.34Å; M41-M43 PolarHBondContact O-N 3Å; M43-W47 WeakPolarHBondContact O-CB 3.46Å; M43-W47 PolarHBondContact O-N 3.36Å; M43-F68 HydrophobicContact CB-CE1 4.16Å; M43-F68 HydrophobicContact CB-CZ 4.44Å; M43-V72 HydrophobicContact CE-CG1 4.31Å; M43-V72 HydrophobicContact CE-CG2 4.43Å; M43-R76 PolarHBondContact SD-NH2 3.3Å; M43-R76 VanDerWaalsContact SD-NH2 3.41Å; M43-I90 HydrophobicContact CE-CD1 3.63Å
44F98.1Very high91.2Very high0 Ų063.1 Ų63.10%038%0.377CS..Hα-helixtrans-65.5-43.9177.9-179.3-124.5000111.7T40 M41 Q42 W47 M48 Y55 K61 R64 F65 F68T40-F44 WeakPolarHBondContact O-CB 3.43Å; T40-F44 PolarHBondContact O-N 2.86Å; M41-F44 WeakPolarHBondContact O-CB 3.29Å; M41-F44 PolarHBondContact O-N 3.35Å; M41-F44 VanDerWaalsContact O-N 3.15Å; M41-F44 HydrophobicContact SD-CD1 4.01Å; Q42-F44 VanDerWaalsContact C-N 3.25Å; Q42-F44 PolarHBondContact O-N 3.25Å; F44-W47 AromaticContact CD2-CE3 3.77Å; F44-W47 HydrophobicContact CD2-CE3 3.77Å; F44-W47 HydrophobicContact CD2-CZ3 4.12Å; F44-W47 AromaticContact CE2-CE3 3.84Å; F44-W47 HydrophobicContact CE2-CE3 3.84Å; F44-W47 AromaticContact CE2-CZ3 3.68Å; F44-W47 HydrophobicContact CE2-CZ3 3.68Å; F44-W47 PolarHBondContact O-N 3.17Å; F44-M48 HydrophobicContact CD1-SD 3.89Å; F44-M48 HydrophobicContact CD2-CG 4.34Å; F44-M48 HydrophobicContact CE1-CG 4.36Å; F44-M48 HydrophobicContact CE1-SD 3.55Å; F44-M48 VanDerWaalsContact CE1-SD 3.55Å; F44-M48 HydrophobicContact CE2-CG 4.15Å; F44-M48 HydrophobicContact CE2-SD 4.38Å; F44-M48 HydrophobicContact CG-SD 4.45Å; F44-M48 HydrophobicContact CZ-CG 4.18Å; F44-M48 HydrophobicContact CZ-SD 3.84Å; F44-M48 WeakPolarHBondContact O-CB 3.11Å; F44-M48 VanDerWaalsContact O-CG 3.25Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 2.6Å; F44-Y55 HydrophobicContact CE1-CE2 4.21Å; F44-Y55 HydrophobicContact CE2-CE2 4.35Å; F44-Y55 AromaticContact CZ-CE2 3.53Å; F44-Y55 HydrophobicContact CZ-CE2 3.53Å; F44-K61 HydrophobicContact CE1-CG 3.96Å; F44-R64 HydrophobicContact CZ-CB 4Å; F44-F65 HydrophobicContact CB-CD2 3.74Å; F44-F65 HydrophobicContact CB-CE2 4.09Å; F44-F65 HydrophobicContact CD1-CB 3.89Å; F44-F65 AromaticContact CD1-CD2 3.66Å; F44-F65 HydrophobicContact CD1-CD2 3.66Å; F44-F65 HydrophobicContact CD1-CG 4.18Å; F44-F65 HydrophobicContact CE1-CB 3.71Å; F44-F65 HydrophobicContact CE1-CD2 4.36Å; F44-F65 HydrophobicContact CE1-CG 4.49Å; F44-F65 AromaticContact CG-CD2 3.76Å; F44-F65 HydrophobicContact CG-CD2 3.76Å; F44-F65 HydrophobicContact CZ-CB 4.22Å; F44-F68 HydrophobicContact CB-CD1 3.77Å; F44-F68 HydrophobicContact CB-CE1 3.85Å; F44-F68 HydrophobicContact CB-CG 4.3Å; F44-F68 HydrophobicContact CB-CZ 4.45Å; F44-F68 HydrophobicContact CD2-CB 3.62Å; F44-F68 AromaticContact CD2-CD1 3.79Å; F44-F68 HydrophobicContact CD2-CD1 3.79Å; F44-F68 AromaticContact CD2-CD2 3.65Å; F44-F68 HydrophobicContact CD2-CD2 3.65Å; F44-F68 HydrophobicContact CD2-CE1 4.33Å; F44-F68 HydrophobicContact CD2-CE2 4.22Å; F44-F68 AromaticContact CD2-CG 3.41Å; F44-F68 HydrophobicContact CD2-CG 3.41Å; F44-F68 VanDerWaalsContact CD2-CG 3.41Å; F44-F68 HydrophobicContact CE2-CB 3.84Å; F44-F68 HydrophobicContact CE2-CD2 4.22Å; F44-F68 HydrophobicContact CE2-CG 4.07Å; F44-F68 HydrophobicContact CG-CB 4.48Å; F44-F68 HydrophobicContact CG-CD1 4.17Å; F44-F68 HydrophobicContact CG-CG 4.22Å
45E97.4Very high93.2Very high93 Ų9362.4 Ų62.444%0.43536%0.357SS..Hα-helixtrans-67.9-40.2178.9-66.8-171.4152.900112.6M41 Q42 W47 M48 A49 K61M41-E45 WeakPolarHBondContact O-CG 3.38Å; M41-E45 PolarHBondContact O-N 3.37Å; Q42-E45 PolarHBondContact O-N 3.4Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-M48 PolarHBondContact O-N 2.87Å; E45-A49 PolarHBondContact O-N 3.23Å; E45-K61 IonicContact OE1-NZ 3.14Å; E45-K61 PolarHBondContact OE1-NZ 2.65Å
46E98Very high94.7Very high116 Ų11669.4 Ų69.454%0.54237%0.373SS..Hα-helixtrans-63.3-41.5172.4-71.3175.2-170.100111.6Q42 A49 K50Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.5Å; Q42-E46 PolarHBondContact O-N 2.76Å; E46-A49 PolarHBondContact O-N 2.62Å; E46-K50 WeakPolarHBondContact O-CB 3.25Å; E46-K50 PolarHBondContact O-N 3.26Å
47W98.3Very high95.3Very high10 Ų1068.4 Ų68.44%0.03837%0.369CS..Hα-helixtrans-64.2-42.7175171.188.7000111.9M43 F44 E45 A49 K50 F51 K53 Y55 F68 I90 N91 A94 D95M43-W47 WeakPolarHBondContact O-CB 3.46Å; M43-W47 PolarHBondContact O-N 3.36Å; F44-W47 AromaticContact CD2-CE3 3.77Å; F44-W47 HydrophobicContact CD2-CE3 3.77Å; F44-W47 HydrophobicContact CD2-CZ3 4.12Å; F44-W47 AromaticContact CE2-CE3 3.84Å; F44-W47 HydrophobicContact CE2-CE3 3.84Å; F44-W47 AromaticContact CE2-CZ3 3.68Å; F44-W47 HydrophobicContact CE2-CZ3 3.68Å; F44-W47 PolarHBondContact O-N 3.17Å; E45-W47 VanDerWaalsContact C-N 3.34Å; W47-A49 VanDerWaalsContact C-N 3.34Å; W47-A49 PolarHBondContact O-N 2.04Å; W47-K50 PolarHBondContact O-N 2.93Å; W47-F51 AromaticContact CD1-CD2 3.35Å; W47-F51 AromaticContact CD1-CE2 3.41Å; W47-F51 VanDerWaalsContact CD1-CE2 3.41Å; W47-F51 HydrophobicContact CD2-CD2 4.25Å; W47-F51 AromaticContact CE2-CD2 3.75Å; W47-F51 HydrophobicContact CG-CD2 4Å; W47-F51 HydrophobicContact CG-CE2 4.41Å; W47-F51 HydrophobicContact CZ2-CD2 4.45Å; W47-F51 AromaticContact NE1-CD2 3.19Å; W47-F51 AromaticContact NE1-CE2 3.34Å; W47-F51 VanDerWaalsContact NE1-CE2 3.34Å; W47-F51 WeakPolarHBondContact O-CD2 3.32Å; W47-F51 PolarHBondContact O-N 3.04Å; W47-K53 HydrophobicContact CE3-CG 4.49Å; W47-K53 HydrophobicContact CH2-CB 4.29Å; W47-K53 HydrophobicContact CH2-CD 3.66Å; W47-K53 HydrophobicContact CH2-CG 3.49Å; W47-K53 VanDerWaalsContact CH2-CG 3.49Å; W47-K53 HydrophobicContact CZ2-CD 4.38Å; W47-K53 HydrophobicContact CZ2-CG 4.17Å; W47-K53 HydrophobicContact CZ3-CB 4.03Å; W47-K53 HydrophobicContact CZ3-CD 4.26Å; W47-K53 HydrophobicContact CZ3-CG 3.7Å; W47-Y55 WeakPolarHBondContact CZ3-OH 3.36Å; W47-F68 HydrophobicContact CB-CE2 3.84Å; W47-F68 HydrophobicContact CB-CZ 3.95Å; W47-F68 AromaticContact CD1-CE2 3.86Å; W47-F68 HydrophobicContact CD2-CD2 4.04Å; W47-F68 AromaticContact CD2-CE2 3.6Å; W47-F68 HydrophobicContact CD2-CE2 3.6Å; W47-F68 HydrophobicContact CE3-CD2 4.1Å; W47-F68 HydrophobicContact CE3-CE2 4.03Å; W47-F68 HydrophobicContact CG-CD2 4.38Å; W47-F68 AromaticContact CG-CE2 3.48Å; W47-F68 HydrophobicContact CG-CE2 3.48Å; W47-F68 VanDerWaalsContact CG-CE2 3.48Å; W47-F68 HydrophobicContact CG-CZ 4.09Å; W47-I90 HydrophobicContact CG-CG2 4.24Å; W47-N91 PolarHBondContact NE1-O 3.45Å; W47-A94 HydrophobicContact CZ2-CB 3.97Å; W47-D95 HydrophobicContact CH2-CB 3.47Å; W47-D95 VanDerWaalsContact CH2-CB 3.47Å; W47-D95 WeakPolarHBondContact CH2-OD1 3.21Å; W47-D95 HydrophobicContact CZ2-CB 4.37Å; W47-D95 HydrophobicContact CZ3-CB 3.87Å
48M98.4Very high95.7Very high26 Ų2673.2 Ų73.213%0.12839%0.391CS..Hα-helixtrans-59.5-46.6175.9-75.3174.866.100110.7F44 E45 K50 F51 G52 K53 Y55F44-M48 HydrophobicContact CD1-SD 3.89Å; F44-M48 HydrophobicContact CD2-CG 4.34Å; F44-M48 HydrophobicContact CE1-CG 4.36Å; F44-M48 HydrophobicContact CE1-SD 3.55Å; F44-M48 VanDerWaalsContact CE1-SD 3.55Å; F44-M48 HydrophobicContact CE2-CG 4.15Å; F44-M48 HydrophobicContact CE2-SD 4.38Å; F44-M48 HydrophobicContact CG-SD 4.45Å; F44-M48 HydrophobicContact CZ-CG 4.18Å; F44-M48 HydrophobicContact CZ-SD 3.84Å; F44-M48 WeakPolarHBondContact O-CB 3.11Å; F44-M48 VanDerWaalsContact O-CG 3.25Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 2.6Å; E45-M48 PolarHBondContact O-N 2.87Å; M48-K50 VanDerWaalsContact C-N 3.35Å; M48-K50 PolarHBondContact O-N 2.91Å; M48-F51 PolarHBondContact O-N 2.93Å; M48-G52 CarbonylContact O-C 3.45Å; M48-G52 WeakPolarHBondContact O-CA 3.28Å; M48-G52 PolarHBondContact O-N 2.78Å; M48-K53 HydrophobicContact CB-CB 4.13Å; M48-K53 VanDerWaalsContact CE-O 3.3Å; M48-K53 WeakPolarHBondContact CE-O 3.49Å; M48-K53 HydrophobicContact CG-CB 4.05Å; M48-K53 PolarHBondContact O-N 2.83Å; M48-Y55 HydrophobicContact CE-CD2 3.7Å; M48-Y55 HydrophobicContact CE-CE2 3.63Å; M48-Y55 HydrophobicContact CG-CE2 4.17Å; M48-Y55 HydrophobicContact SD-CD2 4.3Å; M48-Y55 HydrophobicContact SD-CE2 3.79Å
49A98Very high95.9Very high83 Ų8369.9 Ų69.969%0.68637%0.368SS*.Hα-helixtrans-61-43.6176.800000111.8E45 E46 W47 F51E45-A49 PolarHBondContact O-N 3.23Å; E46-A49 PolarHBondContact O-N 2.62Å; W47-A49 VanDerWaalsContact C-N 3.34Å; W47-A49 PolarHBondContact O-N 2.04Å; A49-F51 PolarHBondContact O-N 3.23Å
50K97.7Very high96.1Very high156 Ų15667.8 Ų67.868%0.67835%0.353SS*.Hα-helixtrans-61.7-39178.7178.5178.6176.4-179.90113.3E46 W47 M48E46-K50 WeakPolarHBondContact O-CB 3.25Å; E46-K50 PolarHBondContact O-N 3.26Å; W47-K50 PolarHBondContact O-N 2.93Å; M48-K50 VanDerWaalsContact C-N 3.35Å; M48-K50 PolarHBondContact O-N 2.91Å
51F97Very high96.1Very high45 Ų4570.3 Ų70.320%0.19737%0.365CS..Hα-helixtrans-103.56.3-175.7-71.3-73.9000114W47 M48 A49 K53 Q92 T326W47-F51 AromaticContact CD1-CD2 3.35Å; W47-F51 AromaticContact CD1-CE2 3.41Å; W47-F51 VanDerWaalsContact CD1-CE2 3.41Å; W47-F51 HydrophobicContact CD2-CD2 4.25Å; W47-F51 AromaticContact CE2-CD2 3.75Å; W47-F51 HydrophobicContact CG-CD2 4Å; W47-F51 HydrophobicContact CG-CE2 4.41Å; W47-F51 HydrophobicContact CZ2-CD2 4.45Å; W47-F51 AromaticContact NE1-CD2 3.19Å; W47-F51 AromaticContact NE1-CE2 3.34Å; W47-F51 VanDerWaalsContact NE1-CE2 3.34Å; W47-F51 WeakPolarHBondContact O-CD2 3.32Å; W47-F51 PolarHBondContact O-N 3.04Å; M48-F51 PolarHBondContact O-N 2.93Å; A49-F51 PolarHBondContact O-N 3.23Å; F51-K53 VanDerWaalsContact C-N 3.29Å; F51-K53 HydrophobicContact CB-CG 3.95Å; F51-K53 PolarHBondContact O-N 2.87Å; F51-Q92 HydrophobicContact CD1-CB 3.47Å; F51-Q92 VanDerWaalsContact CD1-CB 3.47Å; F51-Q92 HydrophobicContact CE1-CB 3.64Å; F51-Q92 HydrophobicContact CG-CB 4.1Å; F51-Q92 HydrophobicContact CZ-CB 4.39Å; F51-T326 HydrophobicContact CE1-CG2 3.85Å
52G96.7Very high96.2Very high62 Ų6269.9 Ų69.964%0.63936%0.362SS*.THydrogen-bonded Turntrans63.631.5-18000000113.7M48M48-G52 CarbonylContact O-C 3.45Å; M48-G52 WeakPolarHBondContact O-CA 3.28Å; M48-G52 PolarHBondContact O-N 2.78Å
53K97.2Very high96.2Very high44 Ų4466 Ų6619%0.19134%0.344CS..  trans-82.1132.6-175.9-63.2-87.6-173.2155.70110.7W47 M48 F51 Q92 D95W47-K53 HydrophobicContact CE3-CG 4.49Å; W47-K53 HydrophobicContact CH2-CB 4.29Å; W47-K53 HydrophobicContact CH2-CD 3.66Å; W47-K53 HydrophobicContact CH2-CG 3.49Å; W47-K53 VanDerWaalsContact CH2-CG 3.49Å; W47-K53 HydrophobicContact CZ2-CD 4.38Å; W47-K53 HydrophobicContact CZ2-CG 4.17Å; W47-K53 HydrophobicContact CZ3-CB 4.03Å; W47-K53 HydrophobicContact CZ3-CD 4.26Å; W47-K53 HydrophobicContact CZ3-CG 3.7Å; M48-K53 HydrophobicContact CB-CB 4.13Å; M48-K53 VanDerWaalsContact CE-O 3.3Å; M48-K53 WeakPolarHBondContact CE-O 3.49Å; M48-K53 HydrophobicContact CG-CB 4.05Å; M48-K53 PolarHBondContact O-N 2.83Å; F51-K53 VanDerWaalsContact C-N 3.29Å; F51-K53 HydrophobicContact CB-CG 3.95Å; F51-K53 PolarHBondContact O-N 2.87Å; K53-Q92 VanDerWaalsContact CE-O 3.23Å; K53-Q92 WeakPolarHBondContact CE-O 3.4Å; K53-Q92 PolarHBondContact NZ-O 3.12Å; K53-D95 IonicContact NZ-OD1 3.87Å; K53-D95 PolarHBondContact NZ-OD1 3.44Å; K53-D95 IonicContact NZ-OD2 3.04Å; K53-D95 PolarHBondContact NZ-OD2 3.33Å
54T96.3Very high96.2Very high123 Ų12364.8 Ų64.876%0.75534%0.336SS*.  trans-138.9144175.960.30000109.8
55Y95.5Very high96.2Very high43 Ų4365.9 Ų65.917%0.16934%0.341CS..  trans-119.2145.1-179.3-55.3-66.6000110.7F44 W47 M48 C57 E60 K61 R64 D95F44-Y55 HydrophobicContact CE1-CE2 4.21Å; F44-Y55 HydrophobicContact CE2-CE2 4.35Å; F44-Y55 AromaticContact CZ-CE2 3.53Å; F44-Y55 HydrophobicContact CZ-CE2 3.53Å; W47-Y55 WeakPolarHBondContact CZ3-OH 3.36Å; M48-Y55 HydrophobicContact CE-CD2 3.7Å; M48-Y55 HydrophobicContact CE-CE2 3.63Å; M48-Y55 HydrophobicContact CG-CE2 4.17Å; M48-Y55 HydrophobicContact SD-CD2 4.3Å; M48-Y55 HydrophobicContact SD-CE2 3.79Å; Y55-C57 VanDerWaalsContact C-N 3.27Å; Y55-C57 PolarHBondContact O-N 2.8Å; Y55-E60 HydrophobicContact CD1-CG 3.86Å; Y55-E60 HydrophobicContact CG-CG 4.17Å; Y55-K61 HydrophobicContact CD2-CB 3.93Å; Y55-K61 HydrophobicContact CD2-CG 3.95Å; Y55-K61 HydrophobicContact CG-CB 4.4Å; Y55-R64 HydrophobicContact CD1-CB 4.38Å; Y55-R64 HydrophobicContact CD1-CG 3.81Å; Y55-R64 HydrophobicContact CE1-CB 3.82Å; Y55-R64 HydrophobicContact CE1-CG 3.44Å; Y55-R64 VanDerWaalsContact CE1-CG 3.44Å; Y55-R64 HydrophobicContact CE2-CB 4.06Å; Y55-D95 VanDerWaalsContact OH-CB 3.23Å; Y55-D95 WeakPolarHBondContact OH-CB 3.2Å; Y55-D95 PolarHBondContact OH-OD2 2.94Å
56K92.7Very high96.2Very high198 Ų19861.8 Ų61.886%0.86132%0.323SS*.SBendtrans-66.4-27.9-172.7-66.3179.6-177.9173.40113.5
57C92.1Very high96.2Very high31 Ų3156.8 Ų56.821%0.20930%0.3CS..SBendtrans-151.7165.6-175.463.10000111.2C13 Y55 G59 E60 K61C13-C57 HydrophobicContact CB-CB 4.01Å; C13-C57 WeakPolarHBondContact CB-SG 3.36Å; C13-C57 WeakPolarHBondContact SG-CB 3.45Å; C13-C57 CovalentContact SG-SG 2.04Å; C13-C57 PolarHBondContact SG-SG 3.45Å; Y55-C57 VanDerWaalsContact C-N 3.27Å; Y55-C57 PolarHBondContact O-N 2.8Å; C57-G59 PolarHBondContact O-N 2.89Å; C57-E60 PolarHBondContact O-N 2.91Å; C57-K61 PolarHBondContact O-N 3.11Å; C57-K61 VanDerWaalsContact O-N 3.12Å
58H92.1Very high96.2Very high131 Ų13156.4 Ų56.461%0.60630%0.299SS*.Hα-helixtrans-58.1-46.7177.7-168.6-92.5000112.5E60 K61 E62H58-E60 VanDerWaalsContact C-N 3.29Å; H58-E60 PolarHBondContact O-N 2.98Å; H58-K61 CarbonylContact O-C 3.6Å; H58-K61 WeakPolarHBondContact O-CA 3.44Å; H58-K61 WeakPolarHBondContact O-CB 3.22Å; H58-K61 PolarHBondContact O-N 3.46Å; H58-E62 IonicContact CE1-OE1 3.31Å; H58-E62 PolarHBondContact CE1-OE1 3.22Å; H58-E62 IonicContact CE1-OE2 2.81Å; H58-E62 IonicContact ND1-OE1 2.78Å; H58-E62 PolarHBondContact ND1-OE1 3.08Å; H58-E62 IonicContact ND1-OE2 2.81Å; H58-E62 PolarHBondContact ND1-OE2 2.97Å; H58-E62 PolarHBondContact O-N 3.41Å
59G93.7Very high96.1Very high6 Ų655.3 Ų55.36%0.06229%0.293CS..Hα-helixtrans-60.8-35.5-179.500000113.7C57 H63C57-G59 PolarHBondContact O-N 2.89Å; G59-H63 WeakPolarHBondContact O-CB 3.3Å; G59-H63 PolarHBondContact O-N 2.82Å
60E95.6Very high96.1Very high30 Ų3055.1 Ų55.114%0.1428%0.281CS..Hα-helixtrans-69.9-40172.3176.965.4174.900111.1M16 Y55 C57 H58 E62 H63 R64M16-E60 VanDerWaalsContact CE-OE2 3.22Å; M16-E60 WeakPolarHBondContact CE-OE2 3Å; M16-E60 HydrophobicContact SD-CB 4.18Å; Y55-E60 HydrophobicContact CD1-CG 3.86Å; Y55-E60 HydrophobicContact CG-CG 4.17Å; C57-E60 PolarHBondContact O-N 2.91Å; H58-E60 VanDerWaalsContact C-N 3.29Å; H58-E60 PolarHBondContact O-N 2.98Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.04Å; E60-H63 PolarHBondContact O-N 3.13Å; E60-H63 IonicContact OE2-CD2 3.72Å; E60-R64 HydrophobicContact CG-CG 4.19Å; E60-R64 VanDerWaalsContact O-CB 3.3Å; E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 WeakPolarHBondContact O-CG 3.41Å; E60-R64 PolarHBondContact O-N 3.48Å; E60-R64 IonicContact OE1-CZ 3.84Å; E60-R64 IonicContact OE1-NE 2.66Å; E60-R64 PolarHBondContact OE1-NE 3.19Å; E60-R64 IonicContact OE1-NH2 2.88Å; E60-R64 PolarHBondContact OE1-NH2 3.17Å
61K96.1Very high96.1Very high55 Ų5548.5 Ų48.524%0.23925%0.253CS..Hα-helixtrans-60.6-43.4175-174.3-178.7177.3-170.40111.1F44 E45 Y55 C57 H58 R64 F65F44-K61 HydrophobicContact CE1-CG 3.96Å; E45-K61 IonicContact OE1-NZ 3.14Å; E45-K61 PolarHBondContact OE1-NZ 2.65Å; Y55-K61 HydrophobicContact CD2-CB 3.93Å; Y55-K61 HydrophobicContact CD2-CG 3.95Å; Y55-K61 HydrophobicContact CG-CB 4.4Å; C57-K61 PolarHBondContact O-N 3.11Å; C57-K61 VanDerWaalsContact O-N 3.12Å; H58-K61 CarbonylContact O-C 3.6Å; H58-K61 WeakPolarHBondContact O-CA 3.44Å; H58-K61 WeakPolarHBondContact O-CB 3.22Å; H58-K61 PolarHBondContact O-N 3.46Å; K61-R64 PolarHBondContact O-N 2.9Å; K61-F65 VanDerWaalsContact O-CB 3.31Å; K61-F65 WeakPolarHBondContact O-CB 3.3Å; K61-F65 PolarHBondContact O-N 3.47Å
62E95.2Very high96.1Very high49 Ų4946.5 Ų46.523%0.22925%0.245CC..Hα-helixtrans-63.7-46.2176.9-72.7174.1137.100111.8A20 M21 H58 E60 R64 F65 A66A20-E62 HydrophobicContact CB-CB 4.06Å; M21-E62 WeakPolarHBondContact CE-OE1 3.45Å; H58-E62 IonicContact CE1-OE1 3.31Å; H58-E62 PolarHBondContact CE1-OE1 3.22Å; H58-E62 IonicContact CE1-OE2 2.81Å; H58-E62 IonicContact ND1-OE1 2.78Å; H58-E62 PolarHBondContact ND1-OE1 3.08Å; H58-E62 IonicContact ND1-OE2 2.81Å; H58-E62 PolarHBondContact ND1-OE2 2.97Å; H58-E62 PolarHBondContact O-N 3.41Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.04Å; E62-R64 PolarHBondContact O-N 3.42Å; E62-F65 WeakPolarHBondContact O-CB 3.08Å; E62-F65 PolarHBondContact O-N 3.33Å; E62-A66 PolarHBondContact O-N 2.77Å
63H96.3Very high96Very high33 Ų3346.4 Ų46.415%0.15323%0.225CC..Hα-helixtrans-58.6-47.4175.5176.264.9000111.7M16 G59 E60 F65 A66 V67M16-H63 HydrophobicContact CB-CB 4.12Å; G59-H63 WeakPolarHBondContact O-CB 3.3Å; G59-H63 PolarHBondContact O-N 2.82Å; E60-H63 PolarHBondContact O-N 3.13Å; E60-H63 IonicContact OE2-CD2 3.72Å; H63-F65 VanDerWaalsContact C-N 3.32Å; H63-F65 PolarHBondContact O-N 3.38Å; H63-A66 WeakPolarHBondContact O-CB 3.34Å; H63-A66 PolarHBondContact O-N 2.73Å; H63-V67 WeakPolarHBondContact O-CG2 3.42Å; H63-V67 PolarHBondContact O-N 2.87Å; H63-V67 VanDerWaalsContact O-N 3.12Å
64R97.8Very high96Very high27 Ų2746.9 Ų46.910%0.10223%0.227CC..Hα-helixtrans-66.4-33.7178.9-66.2-75.4171.4-146.7-8.4112.3F44 Y55 E60 K61 E62 V67 F68 D95 E100F44-R64 HydrophobicContact CZ-CB 4Å; Y55-R64 HydrophobicContact CD1-CB 4.38Å; Y55-R64 HydrophobicContact CD1-CG 3.81Å; Y55-R64 HydrophobicContact CE1-CB 3.82Å; Y55-R64 HydrophobicContact CE1-CG 3.44Å; Y55-R64 VanDerWaalsContact CE1-CG 3.44Å; Y55-R64 HydrophobicContact CE2-CB 4.06Å; E60-R64 HydrophobicContact CG-CG 4.19Å; E60-R64 VanDerWaalsContact O-CB 3.3Å; E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 WeakPolarHBondContact O-CG 3.41Å; E60-R64 PolarHBondContact O-N 3.48Å; E60-R64 IonicContact OE1-CZ 3.84Å; E60-R64 IonicContact OE1-NE 2.66Å; E60-R64 PolarHBondContact OE1-NE 3.19Å; E60-R64 IonicContact OE1-NH2 2.88Å; E60-R64 PolarHBondContact OE1-NH2 3.17Å; K61-R64 PolarHBondContact O-N 2.9Å; E62-R64 PolarHBondContact O-N 3.42Å; R64-V67 PolarHBondContact O-N 2.98Å; R64-F68 WeakPolarHBondContact O-CB 3.03Å; R64-F68 PolarHBondContact O-N 2.05Å; R64-D95 HydrophobicContact CB-CB 4.24Å; R64-D95 WeakPolarHBondContact CD-O 3.32Å; R64-D95 PolarHBondContact NH1-O 3.48Å; R64-E100 IonicContact CZ-OE1 3.26Å; R64-E100 VanDerWaalsContact CZ-OE1 3.26Å; R64-E100 IonicContact NH1-OE1 2.74Å; R64-E100 PolarHBondContact NH1-OE1 3.26Å; R64-E100 IonicContact NH1-OE2 2.75Å; R64-E100 PolarHBondContact NH1-OE2 3.3Å; R64-E100 IonicContact NH2-OE1 3.87Å; R64-E100 PolarHBondContact NH2-OE1 3.06Å
65F97.7Very high96Very high22 Ų2242.3 Ų42.310%0.09620%0.198CC..Hα-helixtrans-64.2-44.7171.8175-117.2000112T40 M41 F44 K61 E62 H63 V67 F68 R69T40-F65 HydrophobicContact CG2-CE2 3.96Å; T40-F65 HydrophobicContact CG2-CZ 4.35Å; M41-F65 HydrophobicContact CB-CE2 3.88Å; M41-F65 HydrophobicContact CB-CZ 3.82Å; M41-F65 HydrophobicContact CG-CE2 4.49Å; M41-F65 HydrophobicContact SD-CD1 4.24Å; M41-F65 HydrophobicContact SD-CD2 3.68Å; M41-F65 HydrophobicContact SD-CE1 4.37Å; M41-F65 HydrophobicContact SD-CE2 3.85Å; M41-F65 HydrophobicContact SD-CG 3.89Å; M41-F65 HydrophobicContact SD-CZ 4.18Å; F44-F65 HydrophobicContact CB-CD2 3.74Å; F44-F65 HydrophobicContact CB-CE2 4.09Å; F44-F65 HydrophobicContact CD1-CB 3.89Å; F44-F65 AromaticContact CD1-CD2 3.66Å; F44-F65 HydrophobicContact CD1-CD2 3.66Å; F44-F65 HydrophobicContact CD1-CG 4.18Å; F44-F65 HydrophobicContact CE1-CB 3.71Å; F44-F65 HydrophobicContact CE1-CD2 4.36Å; F44-F65 HydrophobicContact CE1-CG 4.49Å; F44-F65 AromaticContact CG-CD2 3.76Å; F44-F65 HydrophobicContact CG-CD2 3.76Å; F44-F65 HydrophobicContact CZ-CB 4.22Å; K61-F65 VanDerWaalsContact O-CB 3.31Å; K61-F65 WeakPolarHBondContact O-CB 3.3Å; K61-F65 PolarHBondContact O-N 3.47Å; E62-F65 WeakPolarHBondContact O-CB 3.08Å; E62-F65 PolarHBondContact O-N 3.33Å; H63-F65 VanDerWaalsContact C-N 3.32Å; H63-F65 PolarHBondContact O-N 3.38Å; F65-V67 VanDerWaalsContact C-N 3.32Å; F65-V67 PolarHBondContact O-N 3.41Å; F65-F68 WeakPolarHBondContact O-CB 3.03Å; F65-F68 PolarHBondContact O-N 2.83Å; F65-R69 WeakPolarHBondContact O-CB 3.49Å; F65-R69 PolarHBondContact O-N 3.46Å
66A96.9Very high95.9Very high7 Ų745.5 Ų45.56%0.05821%0.209CC..Hα-helixtrans-59-44.5176.800000111.5E62 H63 R69 D70E62-A66 PolarHBondContact O-N 2.77Å; H63-A66 WeakPolarHBondContact O-CB 3.34Å; H63-A66 PolarHBondContact O-N 2.73Å; A66-R69 PolarHBondContact O-N 2.85Å; A66-D70 PolarHBondContact O-N 2.79Å; A66-D70 VanDerWaalsContact O-N 3.08Å
67V98.1Very high96Very high12 Ų1239.8 Ų39.87%0.07320%0.195CC..Hα-helixtrans-62.1-45.5174.3174.30000111.7H63 R64 F65 R69 D70 N71 T97H63-V67 WeakPolarHBondContact O-CG2 3.42Å; H63-V67 PolarHBondContact O-N 2.87Å; H63-V67 VanDerWaalsContact O-N 3.12Å; R64-V67 PolarHBondContact O-N 2.98Å; F65-V67 VanDerWaalsContact C-N 3.32Å; F65-V67 PolarHBondContact O-N 3.41Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.9Å; V67-D70 PolarHBondContact O-N 3.11Å; V67-N71 WeakPolarHBondContact O-CB 3.34Å; V67-N71 PolarHBondContact O-N 2.99Å; V67-N71 PolarHBondContact O-ND2 2.96Å; V67-T97 HydrophobicContact CB-CG2 4.49Å; V67-T97 HydrophobicContact CG1-CG2 3.96Å; V67-T97 VanDerWaalsContact CG1-N 3.32Å; V67-T97 HydrophobicContact CG2-CG2 3.66Å
68F98.3Very high96Very high1 Ų139.6 Ų39.60%0.00419%0.189CC..Hα-helixtrans-58.3-45.6176.8-179.1-90.5000112.1T40 M43 F44 W47 R64 F65 D70 N71 V72 I90 A94T40-F68 HydrophobicContact CG2-CD1 4.22Å; T40-F68 HydrophobicContact CG2-CE1 4.32Å; M43-F68 HydrophobicContact CB-CE1 4.16Å; M43-F68 HydrophobicContact CB-CZ 4.44Å; F44-F68 HydrophobicContact CB-CD1 3.77Å; F44-F68 HydrophobicContact CB-CE1 3.85Å; F44-F68 HydrophobicContact CB-CG 4.3Å; F44-F68 HydrophobicContact CB-CZ 4.45Å; F44-F68 HydrophobicContact CD2-CB 3.62Å; F44-F68 AromaticContact CD2-CD1 3.79Å; F44-F68 HydrophobicContact CD2-CD1 3.79Å; F44-F68 AromaticContact CD2-CD2 3.65Å; F44-F68 HydrophobicContact CD2-CD2 3.65Å; F44-F68 HydrophobicContact CD2-CE1 4.33Å; F44-F68 HydrophobicContact CD2-CE2 4.22Å; F44-F68 AromaticContact CD2-CG 3.41Å; F44-F68 HydrophobicContact CD2-CG 3.41Å; F44-F68 VanDerWaalsContact CD2-CG 3.41Å; F44-F68 HydrophobicContact CE2-CB 3.84Å; F44-F68 HydrophobicContact CE2-CD2 4.22Å; F44-F68 HydrophobicContact CE2-CG 4.07Å; F44-F68 HydrophobicContact CG-CB 4.48Å; F44-F68 HydrophobicContact CG-CD1 4.17Å; F44-F68 HydrophobicContact CG-CG 4.22Å; W47-F68 HydrophobicContact CB-CE2 3.84Å; W47-F68 HydrophobicContact CB-CZ 3.95Å; W47-F68 AromaticContact CD1-CE2 3.86Å; W47-F68 HydrophobicContact CD2-CD2 4.04Å; W47-F68 AromaticContact CD2-CE2 3.6Å; W47-F68 HydrophobicContact CD2-CE2 3.6Å; W47-F68 HydrophobicContact CE3-CD2 4.1Å; W47-F68 HydrophobicContact CE3-CE2 4.03Å; W47-F68 HydrophobicContact CG-CD2 4.38Å; W47-F68 AromaticContact CG-CE2 3.48Å; W47-F68 HydrophobicContact CG-CE2 3.48Å; W47-F68 VanDerWaalsContact CG-CE2 3.48Å; W47-F68 HydrophobicContact CG-CZ 4.09Å; R64-F68 WeakPolarHBondContact O-CB 3.03Å; R64-F68 PolarHBondContact O-N 2.05Å; F65-F68 WeakPolarHBondContact O-CB 3.03Å; F65-F68 PolarHBondContact O-N 2.83Å; F68-D70 PolarHBondContact O-N 3.36Å; F68-N71 PolarHBondContact O-N 3.24Å; F68-V72 HydrophobicContact CD1-CG2 3.85Å; F68-V72 HydrophobicContact CE1-CG2 3.49Å; F68-V72 VanDerWaalsContact CE1-CG2 3.49Å; F68-V72 HydrophobicContact CE2-CG2 4.49Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.26Å; F68-V72 PolarHBondContact O-N 3.25Å; F68-I90 HydrophobicContact CE2-CG2 4.03Å; F68-I90 HydrophobicContact CZ-CD1 4.24Å; F68-I90 HydrophobicContact CZ-CG2 4.39Å; F68-A94 VanDerWaalsContact CA-O 3.22Å; F68-A94 WeakPolarHBondContact CA-O 3.39Å; F68-A94 HydrophobicContact CD2-CB 3.46Å; F68-A94 VanDerWaalsContact CD2-CB 3.46Å; F68-A94 HydrophobicContact CE2-CB 3.57Å
69R97.2Very high96Very high3 Ų341 Ų411%0.01119%0.19CC..Hα-helixtrans-59.5-45.2177.5-178.5-179.467.7-160.1-11111.6D24 D37 T40 F65 A66 V67 V72 R73D24-R69 IonicContact OD1-CZ 3.43Å; D24-R69 IonicContact OD1-NH1 3.26Å; D24-R69 PolarHBondContact OD1-NH1 2.86Å; D24-R69 IonicContact OD1-NH2 3.25Å; D24-R69 PolarHBondContact OD1-NH2 3.27Å; D37-R69 VanDerWaalsContact OD1-CD 3.3Å; D37-R69 WeakPolarHBondContact OD1-CD 3.42Å; D37-R69 IonicContact OD1-NH1 3.98Å; D37-R69 IonicContact OD2-CZ 2.69Å; D37-R69 IonicContact OD2-NH1 2.69Å; D37-R69 PolarHBondContact OD2-NH1 3.42Å; T40-R69 HydrophobicContact CG2-CB 4Å; T40-R69 HydrophobicContact CG2-CG 4.04Å; F65-R69 WeakPolarHBondContact O-CB 3.49Å; F65-R69 PolarHBondContact O-N 3.46Å; A66-R69 PolarHBondContact O-N 2.85Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.9Å; R69-V72 PolarHBondContact O-N 2.94Å; R69-R73 VanDerWaalsContact NE-NH2 3.19Å; R69-R73 WeakPolarHBondContact O-CG 3.5Å; R69-R73 PolarHBondContact O-N 2.66Å
70D97.1Very high95.5Very high80 Ų8042.6 Ų42.643%0.42820%0.199SC..Hα-helixtrans-65.1-40177.2-71.3-19.6000112.3A66 V67 F68 R73 F74A66-D70 PolarHBondContact O-N 2.79Å; A66-D70 VanDerWaalsContact O-N 3.08Å; V67-D70 PolarHBondContact O-N 3.11Å; F68-D70 PolarHBondContact O-N 3.36Å; D70-R73 WeakPolarHBondContact O-CB 3.31Å; D70-R73 PolarHBondContact O-N 2.85Å; D70-R73 IonicContact OD1-CZ 3.85Å; D70-R73 IonicContact OD1-NH1 3.14Å; D70-R73 PolarHBondContact OD1-NH1 3.47Å; D70-F74 PolarHBondContact O-N 3.22Å
71N97.9Very high95Very high16 Ų1646.9 Ų46.99%0.08622%0.219CC..Hα-helixtrans-65.9-38.1174.4-74.6-32.3000112.4V67 F68 R73 F74 I75 A94 L96 F280V67-N71 WeakPolarHBondContact O-CB 3.34Å; V67-N71 PolarHBondContact O-N 2.99Å; V67-N71 PolarHBondContact O-ND2 2.96Å; F68-N71 PolarHBondContact O-N 3.24Å; N71-R73 VanDerWaalsContact C-N 3.34Å; N71-R73 PolarHBondContact O-N 2.87Å; N71-F74 WeakPolarHBondContact O-CB 3.45Å; N71-F74 PolarHBondContact O-N 3.18Å; N71-I75 WeakPolarHBondContact O-CB 3.47Å; N71-I75 WeakPolarHBondContact O-CD1 3.19Å; N71-I75 VanDerWaalsContact O-CG1 3.27Å; N71-I75 WeakPolarHBondContact O-CG1 3.43Å; N71-I75 PolarHBondContact O-N 3.19Å; N71-A94 PolarHBondContact ND2-O 3.22Å; N71-L96 PolarHBondContact ND2-O 3.38Å; N71-F280 HydrophobicContact CB-CE2 3.96Å; N71-F280 HydrophobicContact CB-CZ 3.68Å; N71-F280 WeakPolarHBondContact OD1-CE2 3.3Å
72V97.2Very high94.3Very high4 Ų449.6 Ų49.62%0.02425%0.252CS..Hα-helixtrans-62.3-41.4173168.30000110.8M43 F68 R69 I75 R76 I90M43-V72 HydrophobicContact CE-CG1 4.31Å; M43-V72 HydrophobicContact CE-CG2 4.43Å; F68-V72 HydrophobicContact CD1-CG2 3.85Å; F68-V72 HydrophobicContact CE1-CG2 3.49Å; F68-V72 VanDerWaalsContact CE1-CG2 3.49Å; F68-V72 HydrophobicContact CE2-CG2 4.49Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.26Å; F68-V72 PolarHBondContact O-N 3.25Å; R69-V72 PolarHBondContact O-N 2.94Å; V72-I75 PolarHBondContact O-N 3.22Å; V72-R76 HydrophobicContact CG1-CG 4.29Å; V72-R76 WeakPolarHBondContact O-CB 3.11Å; V72-R76 WeakPolarHBondContact O-CG 3.36Å; V72-R76 PolarHBondContact O-N 3.21Å; V72-I90 HydrophobicContact CG2-CD1 3.84Å; V72-I90 HydrophobicContact CG2-CG1 4.39Å
73R95.9Very high93.8Very high60 Ų6051.5 Ų51.523%0.22627%0.267CS..Hα-helixtrans-62.3-44.7174.4-69.5171.2-171.4154.72.4111.7Y27 D37 R69 D70 N71 I75 R76 S77Y27-R73 VanDerWaalsContact CD2-CZ 3.46Å; Y27-R73 VanDerWaalsContact CZ-CZ 3.47Å; Y27-R73 PolarHBondContact OH-NH2 2.83Å; D37-R73 IonicContact OD1-NH2 2.84Å; R69-R73 VanDerWaalsContact NE-NH2 3.19Å; R69-R73 WeakPolarHBondContact O-CG 3.5Å; R69-R73 PolarHBondContact O-N 2.66Å; D70-R73 WeakPolarHBondContact O-CB 3.31Å; D70-R73 PolarHBondContact O-N 2.85Å; D70-R73 IonicContact OD1-CZ 3.85Å; D70-R73 IonicContact OD1-NH1 3.14Å; D70-R73 PolarHBondContact OD1-NH1 3.47Å; N71-R73 VanDerWaalsContact C-N 3.34Å; N71-R73 PolarHBondContact O-N 2.87Å; R73-I75 PolarHBondContact O-N 2.84Å; R73-R76 PolarHBondContact O-N 3.08Å; R73-S77 WeakPolarHBondContact O-CB 3.25Å; R73-S77 PolarHBondContact O-N 2.72Å; R73-S77 PolarHBondContact O-OG 3.14Å
74F96Very high93.3Very high54 Ų5451.7 Ų51.724%0.23727%0.266CS..Hα-helixtrans-56.6-50173.3170.7-99.5000111.5D70 N71 R76 S77 Y78 P276 A277 F280D70-F74 PolarHBondContact O-N 3.22Å; N71-F74 WeakPolarHBondContact O-CB 3.45Å; N71-F74 PolarHBondContact O-N 3.18Å; F74-R76 PolarHBondContact O-N 3.37Å; F74-S77 WeakPolarHBondContact CA-OG 3.27Å; F74-S77 PolarHBondContact O-N 2.78Å; F74-S77 PolarHBondContact O-OG 3.04Å; F74-Y78 AromaticContact CZ-CD2 3.97Å; F74-Y78 HydrophobicContact CZ-CD2 3.97Å; F74-Y78 PolarHBondContact O-N 3.48Å; F74-P276 HydrophobicContact CD1-CB 4.26Å; F74-P276 HydrophobicContact CD2-CB 4.43Å; F74-P276 HydrophobicContact CD2-CG 4.41Å; F74-P276 HydrophobicContact CE1-CB 3.85Å; F74-P276 HydrophobicContact CE1-CG 4.44Å; F74-P276 HydrophobicContact CE2-CB 4.04Å; F74-P276 HydrophobicContact CE2-CG 3.79Å; F74-P276 HydrophobicContact CZ-CB 3.74Å; F74-P276 HydrophobicContact CZ-CG 3.81Å; F74-A277 HydrophobicContact CZ-CB 4.14Å; F74-F280 AromaticContact CD1-CD2 3.88Å; F74-F280 HydrophobicContact CD1-CD2 3.88Å; F74-F280 HydrophobicContact CD1-CE2 4.48Å; F74-F280 HydrophobicContact CE1-CD2 4.02Å
75I96.3Very high92.9Very high27 Ų2754.6 Ų54.614%0.13828%0.284CS..Hα-helixtrans-60.5-45.5179.6-70.9161.2000111.3N71 V72 R73 S77 Y78 V88 I90 F280N71-I75 WeakPolarHBondContact O-CB 3.47Å; N71-I75 WeakPolarHBondContact O-CD1 3.19Å; N71-I75 VanDerWaalsContact O-CG1 3.27Å; N71-I75 WeakPolarHBondContact O-CG1 3.43Å; N71-I75 PolarHBondContact O-N 3.19Å; V72-I75 PolarHBondContact O-N 3.22Å; R73-I75 PolarHBondContact O-N 2.84Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3Å; I75-Y78 PolarHBondContact O-N 2.91Å; I75-V88 HydrophobicContact CB-CG2 4.31Å; I75-V88 HydrophobicContact CG1-CG2 4.19Å; I75-V88 HydrophobicContact CG2-CG2 4.24Å; I75-I90 HydrophobicContact CD1-CB 4.39Å; I75-I90 HydrophobicContact CD1-CG1 3.68Å; I75-F280 HydrophobicContact CD1-CB 4.4Å; I75-F280 HydrophobicContact CD1-CD1 3.9Å; I75-F280 HydrophobicContact CD1-CD2 4.46Å; I75-F280 HydrophobicContact CD1-CE1 4.35Å; I75-F280 HydrophobicContact CD1-CG 3.98Å; I75-F280 HydrophobicContact CG1-CB 4.22Å; I75-F280 HydrophobicContact CG1-CD2 4.39Å; I75-F280 HydrophobicContact CG1-CG 4.12Å
76R94.8Very high92.6Very high109 Ų10953.7 Ų53.741%0.41128%0.28SS..Hα-helixtrans-65.2-32.7179.2-74.8178178.6175.42.6112.7D36 M43 V72 R73 F74 R79D36-R76 IonicContact OD1-NH1 2.75Å; D36-R76 PolarHBondContact OD1-NH1 2.79Å; D36-R76 VanDerWaalsContact OD1-NH1 3.14Å; M43-R76 PolarHBondContact SD-NH2 3.3Å; M43-R76 VanDerWaalsContact SD-NH2 3.41Å; V72-R76 HydrophobicContact CG1-CG 4.29Å; V72-R76 WeakPolarHBondContact O-CB 3.11Å; V72-R76 WeakPolarHBondContact O-CG 3.36Å; V72-R76 PolarHBondContact O-N 3.21Å; R73-R76 PolarHBondContact O-N 3.08Å; F74-R76 PolarHBondContact O-N 3.37Å; R76-R79 PolarHBondContact O-NH1 2.82Å; R76-R79 PolarHBondContact O-NH2 3.4Å
77S93.8Very high92.5Very high79 Ų7955.2 Ų55.255%0.55229%0.293SS*.Hα-helixtrans-88.1-15.6-179.8600000114.1R73 F74 I75 R79R73-S77 WeakPolarHBondContact O-CB 3.25Å; R73-S77 PolarHBondContact O-N 2.72Å; R73-S77 PolarHBondContact O-OG 3.14Å; F74-S77 WeakPolarHBondContact CA-OG 3.27Å; F74-S77 PolarHBondContact O-N 2.78Å; F74-S77 PolarHBondContact O-OG 3.04Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3Å; S77-R79 PolarHBondContact O-N 2.74Å
78Y92.9Very high92.4Very high26 Ų2655.5 Ų55.510%0.10229%0.294CS..  trans-60.9121.8-179.6-178.3-92.7000111.5F74 I75 P80 S86 V88 A277F74-Y78 AromaticContact CZ-CD2 3.97Å; F74-Y78 HydrophobicContact CZ-CD2 3.97Å; F74-Y78 PolarHBondContact O-N 3.48Å; I75-Y78 PolarHBondContact O-N 2.91Å; Y78-P80 HydrophobicContact CE1-CB 4.11Å; Y78-P80 HydrophobicContact CE1-CG 4.3Å; Y78-S86 PolarHBondContact OH-OG 3.34Å; Y78-V88 VanDerWaalsContact CB-CG2 3.4Å; Y78-V88 HydrophobicContact CD1-CB 4.3Å; Y78-V88 HydrophobicContact CD1-CG1 3.91Å; Y78-V88 HydrophobicContact CD1-CG2 3.59Å; Y78-V88 HydrophobicContact CD2-CG1 3.99Å; Y78-V88 HydrophobicContact CD2-CG2 4.16Å; Y78-V88 HydrophobicContact CE1-CG1 3.88Å; Y78-V88 HydrophobicContact CE1-CG2 4.37Å; Y78-V88 HydrophobicContact CE2-CG1 3.97Å; Y78-V88 HydrophobicContact CG-CB 4.34Å; Y78-V88 HydrophobicContact CG-CG1 3.96Å; Y78-V88 HydrophobicContact CG-CG2 3.44Å; Y78-V88 VanDerWaalsContact CG-CG2 3.44Å; Y78-A277 HydrophobicContact CD2-CB 4.31Å; Y78-A277 HydrophobicContact CE2-CB 3.62Å
79R90.9Very high92.3Very high162 Ų16260.3 Ų60.361%0.61131%0.313SS*.  trans-129.2112172.2-61.2-65.6177.1-84-5.5108.4R76 S77 R290R76-R79 PolarHBondContact O-NH1 2.82Å; R76-R79 PolarHBondContact O-NH2 3.4Å; S77-R79 PolarHBondContact O-N 2.74Å; R79-R290 PolarHBondContact O-NH2 2.75Å
80P84.8Confident92.4Very high39 Ų3962.6 Ų62.625%0.25332%0.324SS..  trans-67166.7170.735.3-38.8000109.9Y78 S86Y78-P80 HydrophobicContact CE1-CB 4.11Å; Y78-P80 HydrophobicContact CE1-CG 4.3Å; P80-S86 WeakPolarHBondContact CB-OG 3.39Å; P80-S86 WeakPolarHBondContact CG-O 3.44Å
81E84.2Confident92.4Very high120 Ų12058.8 Ų58.856%0.56130%0.304SS*.  trans-62.2152.3171.4-60.9179.9177.500110.2T83 Y84E81-T83 PolarHBondContact O-N 2.97Å; E81-Y84 HydrophobicContact CB-CD2 3.96Å; E81-Y84 HydrophobicContact CB-CE2 4.35Å; E81-Y84 PolarHBondContact O-N 3.14Å
82A81Confident92.4Very high112 Ų11259 Ų5993%0.92631%0.305SS*.THydrogen-bonded Turntrans-57.5-18.7-169.400000115.1
83T84.7Confident92.5Very high89 Ų8958.9 Ų58.955%0.54630%0.304SS..THydrogen-bonded Turntrans-87.7-9.4178.465.20000113.7E81 K314E81-T83 PolarHBondContact O-N 2.97Å; T83-K314 WeakPolarHBondContact O-CE 3.43Å
84Y85.8Confident92.6Very high37 Ų3756 Ų5615%0.14529%0.293CS..  trans-107.8141.7-178.5-63.9-89.5000111.8E81 V285 P287 K314 E336E81-Y84 HydrophobicContact CB-CD2 3.96Å; E81-Y84 HydrophobicContact CB-CE2 4.35Å; E81-Y84 PolarHBondContact O-N 3.14Å; Y84-V285 WeakPolarHBondContact CD1-O 3.19Å; Y84-P287 HydrophobicContact CD1-CB 3.86Å; Y84-P287 HydrophobicContact CD1-CG 4.27Å; Y84-P287 HydrophobicContact CD2-CB 4.31Å; Y84-P287 HydrophobicContact CE1-CB 3.52Å; Y84-P287 HydrophobicContact CE1-CG 4.41Å; Y84-P287 HydrophobicContact CE2-CB 4Å; Y84-P287 HydrophobicContact CG-CB 4.24Å; Y84-P287 HydrophobicContact CG-CG 4.35Å; Y84-K314 HydrophobicContact CD1-CD 3.86Å; Y84-K314 HydrophobicContact CE1-CD 3.92Å; Y84-K314 PolarHBondContact OH-NZ 3.4Å; Y84-E336 VanDerWaalsContact CE1-CD 3.4Å; Y84-E336 HydrophobicContact CE1-CG 4.41Å; Y84-E336 VanDerWaalsContact CE1-OE1 3.29Å; Y84-E336 WeakPolarHBondContact CE1-OE1 3.32Å; Y84-E336 WeakPolarHBondContact CE1-OE2 3.4Å; Y84-E336 VanDerWaalsContact CZ-OE2 3.24Å; Y84-E336 PolarHBondContact OH-OE1 2.97Å; Y84-E336 PolarHBondContact OH-OE2 2.89Å
85D89.7Confident92.7Very high87 Ų8753.8 Ų53.847%0.46528%0.284SS..  trans-986.1175.570.1-33000112.5A87 G284 V285D85-A87 PolarHBondContact O-N 3.16Å; D85-G284 WeakPolarHBondContact OD1-CA 3.41Å; D85-G284 VanDerWaalsContact OD2-CA 3.31Å; D85-G284 WeakPolarHBondContact OD2-CA 3.31Å; D85-V285 PolarHBondContact OD1-N 2.9Å
86S91.9Very high92.8Very high3 Ų353.5 Ų53.52%0.02128%0.282CS..  trans-59127.3-178.260.50000111.4Y78 P80 S283 V285Y78-S86 PolarHBondContact OH-OG 3.34Å; P80-S86 WeakPolarHBondContact CB-OG 3.39Å; P80-S86 WeakPolarHBondContact CG-O 3.44Å; S86-S283 CarbonylContact C-O 3.5Å; S86-S283 VanDerWaalsContact CA-O 3.29Å; S86-S283 WeakPolarHBondContact CA-O 3.33Å; S86-V285 WeakPolarHBondContact CB-O 3.35Å
87A94.2Very high92.9Very high40 Ų4050.8 Ų50.833%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-117.7140.4177.300000110.5D85 G282 S283D85-A87 PolarHBondContact O-N 3.16Å; A87-G282 WeakPolarHBondContact O-CA 3.32Å; A87-G282 PolarHBondContact O-N 2.86Å; A87-S283 PolarHBondContact N-O 2.87Å; A87-S283 PolarHBondContact O-N 3.45Å
88V96.3Very high93Very high17 Ų1749.5 Ų49.510%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-101.1149.5167.1-59.50000109.9I75 Y78 A277 F280I75-V88 HydrophobicContact CB-CG2 4.31Å; I75-V88 HydrophobicContact CG1-CG2 4.19Å; I75-V88 HydrophobicContact CG2-CG2 4.24Å; Y78-V88 VanDerWaalsContact CB-CG2 3.4Å; Y78-V88 HydrophobicContact CD1-CB 4.3Å; Y78-V88 HydrophobicContact CD1-CG1 3.91Å; Y78-V88 HydrophobicContact CD1-CG2 3.59Å; Y78-V88 HydrophobicContact CD2-CG1 3.99Å; Y78-V88 HydrophobicContact CD2-CG2 4.16Å; Y78-V88 HydrophobicContact CE1-CG1 3.88Å; Y78-V88 HydrophobicContact CE1-CG2 4.37Å; Y78-V88 HydrophobicContact CE2-CG1 3.97Å; Y78-V88 HydrophobicContact CG-CB 4.34Å; Y78-V88 HydrophobicContact CG-CG1 3.96Å; Y78-V88 HydrophobicContact CG-CG2 3.44Å; Y78-V88 VanDerWaalsContact CG-CG2 3.44Å; V88-A277 HydrophobicContact CG1-CB 4.33Å; V88-F280 CarbonylContact C-O 3.55Å; V88-F280 WeakPolarHBondContact CA-O 3.42Å; V88-F280 HydrophobicContact CB-CB 3.93Å; V88-F280 WeakPolarHBondContact CB-O 3.45Å; V88-F280 HydrophobicContact CG1-CB 4.42Å
89R96.8Very high93.2Very high103 Ų10350.6 Ų50.639%0.38928%0.284SS..  trans-149.1159-178.361.8-179.6159.8-158.3-4.1112.5N91 F280 G282 G328R89-N91 PolarHBondContact O-N 3.43Å; R89-F280 PolarHBondContact N-O 2.84Å; R89-G282 PolarHBondContact NH2-O 3Å; R89-G328 PolarHBondContact NH2-O 3.13Å
90I97.7Very high93.5Very high50 Ų5045.3 Ų45.326%0.25627%0.266SS..  trans-62.6126.3170.9-58.2175000108.5M43 W47 F68 V72 I75 A94M43-I90 HydrophobicContact CE-CD1 3.63Å; W47-I90 HydrophobicContact CG-CG2 4.24Å; F68-I90 HydrophobicContact CE2-CG2 4.03Å; F68-I90 HydrophobicContact CZ-CD1 4.24Å; F68-I90 HydrophobicContact CZ-CG2 4.39Å; V72-I90 HydrophobicContact CG2-CD1 3.84Å; V72-I90 HydrophobicContact CG2-CG1 4.39Å; I75-I90 HydrophobicContact CD1-CB 4.39Å; I75-I90 HydrophobicContact CD1-CG1 3.68Å; I90-A94 HydrophobicContact CG2-CB 3.86Å
91N98Very high94Very high1 Ų143.5 Ų43.51%0.00525%0.254CS..  trans-135-167.2177.365.325.7000109.9W47 R89 F93 A94 Q279 W327W47-N91 PolarHBondContact NE1-O 3.45Å; R89-N91 PolarHBondContact O-N 3.43Å; N91-F93 PolarHBondContact O-N 3Å; N91-F93 WeakPolarHBondContact OD1-CB 3.37Å; N91-F93 PolarHBondContact OD1-N 2.97Å; N91-A94 PolarHBondContact O-N 3.29Å; N91-Q279 PolarHBondContact ND2-O 2.93Å; N91-W327 VanDerWaalsContact ND2-CD1 3.31Å
92Q97.9Very high94.6Very high20 Ų2039.2 Ų39.29%0.09324%0.236CC..THydrogen-bonded Turntrans-66.7-7.8-175.873.4-104.136.300115.5F51 K53 W323 T326F51-Q92 HydrophobicContact CD1-CB 3.47Å; F51-Q92 VanDerWaalsContact CD1-CB 3.47Å; F51-Q92 HydrophobicContact CE1-CB 3.64Å; F51-Q92 HydrophobicContact CG-CB 4.1Å; F51-Q92 HydrophobicContact CZ-CB 4.39Å; K53-Q92 VanDerWaalsContact CE-O 3.23Å; K53-Q92 WeakPolarHBondContact CE-O 3.4Å; K53-Q92 PolarHBondContact NZ-O 3.12Å; Q92-W323 PolarHBondContact NE2-O 3.08Å; Q92-T326 PolarHBondContact NE2-OG1 2.96Å; Q92-T326 PolarHBondContact OE1-OG1 3.22Å
93F98.3Very high95.1Very high2 Ų238 Ų381%0.00923%0.226CC..THydrogen-bonded Turntrans-101.49.6-176.8-51.9-53.3000113.3N91 D95 L96 F101 Y105 Q279 W323 W327N91-F93 PolarHBondContact O-N 3Å; N91-F93 WeakPolarHBondContact OD1-CB 3.37Å; N91-F93 PolarHBondContact OD1-N 2.97Å; F93-D95 PolarHBondContact O-N 2.59Å; F93-L96 HydrophobicContact CB-CD1 4.39Å; F93-L96 HydrophobicContact CD1-CD1 4.08Å; F93-L96 PolarHBondContact O-N 3.12Å; F93-L96 VanDerWaalsContact O-N 3.08Å; F93-F101 HydrophobicContact CB-CD2 4.18Å; F93-F101 HydrophobicContact CD1-CD2 4.22Å; F93-F101 HydrophobicContact CD1-CE2 4.38Å; F93-F101 HydrophobicContact CD2-CD2 4.1Å; F93-F101 AromaticContact CD2-CE2 3.67Å; F93-F101 HydrophobicContact CD2-CE2 3.67Å; F93-F101 AromaticContact CE2-CE2 3.84Å; F93-F101 HydrophobicContact CE2-CE2 3.84Å; F93-F101 AromaticContact CG-CD2 3.91Å; F93-F101 HydrophobicContact CG-CD2 3.91Å; F93-F101 AromaticContact CG-CE2 3.97Å; F93-F101 HydrophobicContact CG-CE2 3.97Å; F93-F101 HydrophobicContact CZ-CE2 4.27Å; F93-Y105 HydrophobicContact CD1-CD2 4.45Å; F93-Y105 HydrophobicContact CD1-CE1 4.3Å; F93-Y105 HydrophobicContact CD1-CE2 4.07Å; F93-Y105 AromaticContact CD1-CZ 3.96Å; F93-Y105 AromaticContact CE1-CD1 3.79Å; F93-Y105 HydrophobicContact CE1-CD1 3.79Å; F93-Y105 HydrophobicContact CE1-CD2 4.27Å; F93-Y105 AromaticContact CE1-CE1 3.42Å; F93-Y105 HydrophobicContact CE1-CE1 3.42Å; F93-Y105 VanDerWaalsContact CE1-CE1 3.42Å; F93-Y105 AromaticContact CE1-CE2 3.98Å; F93-Y105 HydrophobicContact CE1-CE2 3.98Å; F93-Y105 HydrophobicContact CE1-CG 4.19Å; F93-Y105 AromaticContact CE1-CZ 3.52Å; F93-Y105 HydrophobicContact CZ-CD1 4.08Å; F93-Y105 HydrophobicContact CZ-CE1 4.1Å; F93-Q279 HydrophobicContact CB-CG 4.31Å; F93-Q279 PolarHBondContact O-NE2 2.83Å; F93-W323 HydrophobicContact CE2-CB 4.11Å; F93-W323 HydrophobicContact CE2-CD2 4.31Å; F93-W323 HydrophobicContact CE2-CE3 4.19Å; F93-W323 HydrophobicContact CE2-CG 4.3Å; F93-W323 HydrophobicContact CZ-CB 3.93Å; F93-W323 HydrophobicContact CZ-CD2 4.47Å; F93-W323 HydrophobicContact CZ-CG 4.09Å; F93-W327 AromaticContact CD2-CD1 3.96Å; F93-W327 HydrophobicContact CE2-CB 4.34Å; F93-W327 AromaticContact CE2-CD1 3.69Å; F93-W327 HydrophobicContact CE2-CG 4.24Å
94A98.3Very high95.4Very high0 Ų036.2 Ų36.20%022%0.215CC..THydrogen-bonded Turntrans-66.2-20-174.400000113.8W47 F68 N71 I90 N91 L96 F280W47-A94 HydrophobicContact CZ2-CB 3.97Å; F68-A94 VanDerWaalsContact CA-O 3.22Å; F68-A94 WeakPolarHBondContact CA-O 3.39Å; F68-A94 HydrophobicContact CD2-CB 3.46Å; F68-A94 VanDerWaalsContact CD2-CB 3.46Å; F68-A94 HydrophobicContact CE2-CB 3.57Å; N71-A94 PolarHBondContact ND2-O 3.22Å; I90-A94 HydrophobicContact CG2-CB 3.86Å; N91-A94 PolarHBondContact O-N 3.29Å; A94-L96 VanDerWaalsContact C-N 3.35Å; A94-F280 HydrophobicContact CB-CE1 4.26Å
95D97.9Very high95.9Very high7 Ų735.9 Ų35.94%0.03721%0.214CC..THydrogen-bonded Turntrans-89.86.3174.167.9-30.7000114.5W47 K53 Y55 R64 F93W47-D95 HydrophobicContact CH2-CB 3.47Å; W47-D95 VanDerWaalsContact CH2-CB 3.47Å; W47-D95 WeakPolarHBondContact CH2-OD1 3.21Å; W47-D95 HydrophobicContact CZ2-CB 4.37Å; W47-D95 HydrophobicContact CZ3-CB 3.87Å; K53-D95 IonicContact NZ-OD1 3.87Å; K53-D95 PolarHBondContact NZ-OD1 3.44Å; K53-D95 IonicContact NZ-OD2 3.04Å; K53-D95 PolarHBondContact NZ-OD2 3.33Å; Y55-D95 VanDerWaalsContact OH-CB 3.23Å; Y55-D95 WeakPolarHBondContact OH-CB 3.2Å; Y55-D95 PolarHBondContact OH-OD2 2.94Å; R64-D95 HydrophobicContact CB-CB 4.24Å; R64-D95 WeakPolarHBondContact CD-O 3.32Å; R64-D95 PolarHBondContact NH1-O 3.48Å; F93-D95 PolarHBondContact O-N 2.59Å
96L98.2Very high95.9Very high20 Ų2032.8 Ų32.811%0.10520%0.198CC..SBendtrans-108.7133.9179.5-56.9-179.8000110.5N71 F93 A94 E100 F101 Y105 Q279N71-L96 PolarHBondContact ND2-O 3.38Å; F93-L96 HydrophobicContact CB-CD1 4.39Å; F93-L96 HydrophobicContact CD1-CD1 4.08Å; F93-L96 PolarHBondContact O-N 3.12Å; F93-L96 VanDerWaalsContact O-N 3.08Å; A94-L96 VanDerWaalsContact C-N 3.35Å; L96-E100 HydrophobicContact CB-CB 4.35Å; L96-F101 HydrophobicContact CB-CB 4.4Å; L96-Y105 HydrophobicContact CD1-CD2 4.21Å; L96-Y105 HydrophobicContact CD1-CE2 3.43Å; L96-Y105 VanDerWaalsContact CD1-CE2 3.43Å; L96-Q279 PolarHBondContact O-NE2 2.88Å
97T98Very high95.3Very high53 Ų5333.1 Ų33.133%0.32520%0.202SC..  trans-61.9155.3164.362.60000108.8V67 G99 E100 F101V67-T97 HydrophobicContact CB-CG2 4.49Å; V67-T97 HydrophobicContact CG1-CG2 3.96Å; V67-T97 VanDerWaalsContact CG1-N 3.32Å; V67-T97 HydrophobicContact CG2-CG2 3.66Å; T97-G99 PolarHBondContact O-N 2.76Å; T97-E100 PolarHBondContact N-OE2 3.45Å; T97-E100 PolarHBondContact O-N 2.81Å; T97-E100 WeakPolarHBondContact OG1-CB 3.39Å; T97-E100 WeakPolarHBondContact OG1-CG 3.44Å; T97-E100 PolarHBondContact OG1-N 2.63Å; T97-E100 VanDerWaalsContact OG1-N 3.16Å; T97-E100 PolarHBondContact OG1-OE2 2.86Å; T97-F101 WeakPolarHBondContact O-CB 3.38Å; T97-F101 PolarHBondContact O-N 3.44Å
98N96.6Very high94.6Very high52 Ų5232 Ų3228%0.27819%0.191SC..Hα-helixtrans-58.6-35.7176.6179.1-110.1000112F101 V102 S274 Q279N98-F101 PolarHBondContact O-N 3.05Å; N98-V102 WeakPolarHBondContact O-CB 3.16Å; N98-V102 VanDerWaalsContact O-CG2 3.29Å; N98-V102 WeakPolarHBondContact O-CG2 3.46Å; N98-V102 PolarHBondContact O-N 3.31Å; N98-S274 PolarHBondContact ND2-O 3.25Å; N98-S274 PolarHBondContact OD1-O 2.93Å; N98-Q279 PolarHBondContact ND2-OE1 3.49Å; N98-Q279 VanDerWaalsContact ND2-OE1 3.15Å
99G96.1Very high93.5Very high49 Ų4934.6 Ų34.651%0.50520%0.201SC..Hα-helixtrans-62.6-46.5174.300000113.5T97 F101 V102 A103T97-G99 PolarHBondContact O-N 2.76Å; G99-F101 VanDerWaalsContact C-N 3.35Å; G99-V102 PolarHBondContact O-N 3.43Å; G99-A103 VanDerWaalsContact O-CB 3.31Å; G99-A103 WeakPolarHBondContact O-CB 3.47Å; G99-A103 PolarHBondContact O-N 3.37Å
100E96.6Very high91.7Very high51 Ų5134.9 Ų34.924%0.23821%0.207CC..Hα-helixtrans-62.9-42.2175.8-73.4168.3125.900111.9R64 L96 T97 A103 T104R64-E100 IonicContact CZ-OE1 3.26Å; R64-E100 VanDerWaalsContact CZ-OE1 3.26Å; R64-E100 IonicContact NH1-OE1 2.74Å; R64-E100 PolarHBondContact NH1-OE1 3.26Å; R64-E100 IonicContact NH1-OE2 2.75Å; R64-E100 PolarHBondContact NH1-OE2 3.3Å; R64-E100 IonicContact NH2-OE1 3.87Å; R64-E100 PolarHBondContact NH2-OE1 3.06Å; L96-E100 HydrophobicContact CB-CB 4.35Å; T97-E100 PolarHBondContact N-OE2 3.45Å; T97-E100 PolarHBondContact O-N 2.81Å; T97-E100 WeakPolarHBondContact OG1-CB 3.39Å; T97-E100 WeakPolarHBondContact OG1-CG 3.44Å; T97-E100 PolarHBondContact OG1-N 2.63Å; T97-E100 VanDerWaalsContact OG1-N 3.16Å; T97-E100 PolarHBondContact OG1-OE2 2.86Å; E100-A103 PolarHBondContact O-N 3.39Å; E100-T104 VanDerWaalsContact O-CB 3.27Å; E100-T104 WeakPolarHBondContact O-CB 3.47Å; E100-T104 PolarHBondContact O-N 3.33Å; E100-T104 VanDerWaalsContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 2.86Å
101F96.9Very high89.5Confident0 Ų035.4 Ų35.40%021%0.213CC..Hα-helixtrans-59.2-51.8176.8169.2-100.1000111.1F93 L96 T97 N98 G99 A103 T104 Y105 Q279 W323F93-F101 HydrophobicContact CB-CD2 4.18Å; F93-F101 HydrophobicContact CD1-CD2 4.22Å; F93-F101 HydrophobicContact CD1-CE2 4.38Å; F93-F101 HydrophobicContact CD2-CD2 4.1Å; F93-F101 AromaticContact CD2-CE2 3.67Å; F93-F101 HydrophobicContact CD2-CE2 3.67Å; F93-F101 AromaticContact CE2-CE2 3.84Å; F93-F101 HydrophobicContact CE2-CE2 3.84Å; F93-F101 AromaticContact CG-CD2 3.91Å; F93-F101 HydrophobicContact CG-CD2 3.91Å; F93-F101 AromaticContact CG-CE2 3.97Å; F93-F101 HydrophobicContact CG-CE2 3.97Å; F93-F101 HydrophobicContact CZ-CE2 4.27Å; L96-F101 HydrophobicContact CB-CB 4.4Å; T97-F101 WeakPolarHBondContact O-CB 3.38Å; T97-F101 PolarHBondContact O-N 3.44Å; N98-F101 PolarHBondContact O-N 3.05Å; G99-F101 VanDerWaalsContact C-N 3.35Å; F101-A103 PolarHBondContact O-N 3.2Å; F101-T104 PolarHBondContact O-N 3.39Å; F101-Y105 AromaticContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CG 4.18Å; F101-Y105 HydrophobicContact CE2-CD2 4.3Å; F101-Y105 HydrophobicContact CE2-CG 4.21Å; F101-Y105 WeakPolarHBondContact O-CB 3.45Å; F101-Y105 PolarHBondContact O-N 2.83Å; F101-Q279 HydrophobicContact CB-CG 4.27Å; F101-Q279 HydrophobicContact CD1-CB 3.79Å; F101-Q279 HydrophobicContact CD1-CG 3.75Å; F101-Q279 HydrophobicContact CD2-CG 3.86Å; F101-Q279 HydrophobicContact CE1-CB 3.71Å; F101-Q279 HydrophobicContact CE1-CG 4Å; F101-Q279 HydrophobicContact CE2-CG 4.1Å; F101-Q279 HydrophobicContact CG-CB 4.25Å; F101-Q279 HydrophobicContact CG-CG 3.67Å; F101-Q279 HydrophobicContact CZ-CB 4.1Å; F101-Q279 HydrophobicContact CZ-CG 4.15Å; F101-W323 HydrophobicContact CE1-CH2 4.23Å; F101-W323 HydrophobicContact CE2-CE3 4.42Å; F101-W323 HydrophobicContact CE2-CH2 4.39Å; F101-W323 HydrophobicContact CE2-CZ2 4.49Å; F101-W323 HydrophobicContact CE2-CZ3 4.34Å; F101-W323 HydrophobicContact CZ-CE3 4.12Å; F101-W323 AromaticContact CZ-CH2 3.48Å; F101-W323 HydrophobicContact CZ-CH2 3.48Å; F101-W323 VanDerWaalsContact CZ-CH2 3.48Å; F101-W323 AromaticContact CZ-CZ2 3.86Å; F101-W323 HydrophobicContact CZ-CZ2 3.86Å; F101-W323 AromaticContact CZ-CZ3 3.61Å; F101-W323 HydrophobicContact CZ-CZ3 3.61Å
102V94.9Very high86.7Confident31 Ų3137.6 Ų37.619%0.18823%0.228CC..Hα-helixtrans-61-47.1179.4172.40000110.7N98 G99 T104 T106N98-V102 WeakPolarHBondContact O-CB 3.16Å; N98-V102 VanDerWaalsContact O-CG2 3.29Å; N98-V102 WeakPolarHBondContact O-CG2 3.46Å; N98-V102 PolarHBondContact O-N 3.31Å; G99-V102 PolarHBondContact O-N 3.43Å; V102-T104 PolarHBondContact O-N 3Å; V102-T106 HydrophobicContact CG1-CG2 4.28Å; V102-T106 WeakPolarHBondContact O-CB 3.35Å; V102-T106 PolarHBondContact O-N 2.74Å; V102-T106 PolarHBondContact O-OG1 3.28Å
103A92.3Very high83.8Confident85 Ų8543 Ų4370%0.70226%0.264SS*.Hα-helixtrans-63.3-25.1-178.500000114G99 E100 F101G99-A103 VanDerWaalsContact O-CB 3.31Å; G99-A103 WeakPolarHBondContact O-CB 3.47Å; G99-A103 PolarHBondContact O-N 3.37Å; E100-A103 PolarHBondContact O-N 3.39Å; F101-A103 PolarHBondContact O-N 3.2Å
104T91.8Very high81Confident52 Ų5247.7 Ų47.732%0.31930%0.304SS..Hα-helixtrans-104.8-38.7-171.3-51.90000113.5E100 F101 V102 A153E100-T104 VanDerWaalsContact O-CB 3.27Å; E100-T104 WeakPolarHBondContact O-CB 3.47Å; E100-T104 PolarHBondContact O-N 3.33Å; E100-T104 VanDerWaalsContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 2.86Å; F101-T104 PolarHBondContact O-N 3.39Å; V102-T104 PolarHBondContact O-N 3Å; T104-A153 HydrophobicContact CG2-CB 3.59Å
105Y94.8Very high77.8Confident31 Ų3151.9 Ų51.912%0.12233%0.329CS..Hα-helixtrans-106.9-10.2-169.6-66.2-86.3000113.9F93 L96 F101 Q151 G152 W323F93-Y105 HydrophobicContact CD1-CD2 4.45Å; F93-Y105 HydrophobicContact CD1-CE1 4.3Å; F93-Y105 HydrophobicContact CD1-CE2 4.07Å; F93-Y105 AromaticContact CD1-CZ 3.96Å; F93-Y105 AromaticContact CE1-CD1 3.79Å; F93-Y105 HydrophobicContact CE1-CD1 3.79Å; F93-Y105 HydrophobicContact CE1-CD2 4.27Å; F93-Y105 AromaticContact CE1-CE1 3.42Å; F93-Y105 HydrophobicContact CE1-CE1 3.42Å; F93-Y105 VanDerWaalsContact CE1-CE1 3.42Å; F93-Y105 AromaticContact CE1-CE2 3.98Å; F93-Y105 HydrophobicContact CE1-CE2 3.98Å; F93-Y105 HydrophobicContact CE1-CG 4.19Å; F93-Y105 AromaticContact CE1-CZ 3.52Å; F93-Y105 HydrophobicContact CZ-CD1 4.08Å; F93-Y105 HydrophobicContact CZ-CE1 4.1Å; L96-Y105 HydrophobicContact CD1-CD2 4.21Å; L96-Y105 HydrophobicContact CD1-CE2 3.43Å; L96-Y105 VanDerWaalsContact CD1-CE2 3.43Å; F101-Y105 AromaticContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CG 4.18Å; F101-Y105 HydrophobicContact CE2-CD2 4.3Å; F101-Y105 HydrophobicContact CE2-CG 4.21Å; F101-Y105 WeakPolarHBondContact O-CB 3.45Å; F101-Y105 PolarHBondContact O-N 2.83Å; Y105-Q151 PolarHBondContact O-NE2 3.11Å; Y105-Q151 VanDerWaalsContact O-NE2 3.07Å; Y105-G152 VanDerWaalsContact CD1-O 3.29Å; Y105-G152 WeakPolarHBondContact CD1-O 3.42Å; Y105-G152 VanDerWaalsContact CE1-O 3.31Å; Y105-G152 WeakPolarHBondContact CE1-O 3.45Å; Y105-W323 PolarHBondContact O-NE1 2.88Å
106T90.3Very high74.9Confident22 Ų2255.4 Ų55.414%0.13535%0.345CS..  trans-95156.4170.178.80000109.5V102 A273 N298V102-T106 HydrophobicContact CG1-CG2 4.28Å; V102-T106 WeakPolarHBondContact O-CB 3.35Å; V102-T106 PolarHBondContact O-N 2.74Å; V102-T106 PolarHBondContact O-OG1 3.28Å; T106-A273 HydrophobicContact CG2-CB 4.29Å; T106-N298 WeakPolarHBondContact CB-O 3.45Å
107G80.2Confident71.9Confident10 Ų1060.1 Ų60.110%0.10338%0.377CS..  trans-168.112.8-16500000115.2G155 G200 G201 N298G107-G155 WeakPolarHBondContact CA-O 3.25Å; G107-G200 CarbonylContact O-C 3.53Å; G107-G200 WeakPolarHBondContact O-CA 3.4Å; G107-G201 PolarHBondContact O-N 2.79Å; G107-N298 PolarHBondContact N-O 3.3Å
108V79.4Confident68.8Low15 Ų1565.4 Ų65.49%0.09140%0.398CS..BIsolated β-bridgetrans-93.7121.7170.3177.10000107.2Y270 N298 H299 A300V108-Y270 HydrophobicContact CB-CD1 4.19Å; V108-Y270 HydrophobicContact CB-CE1 4.45Å; V108-Y270 HydrophobicContact CG1-CD1 3.61Å; V108-Y270 HydrophobicContact CG1-CE1 3.75Å; V108-Y270 HydrophobicContact CG1-CG 4.02Å; V108-Y270 HydrophobicContact CG2-CD1 3.54Å; V108-Y270 HydrophobicContact CG2-CE1 3.79Å; V108-N298 PolarHBondContact N-O 3.05Å; V108-H299 VanDerWaalsContact CG2-C 3.43Å; V108-A300 HydrophobicContact CG2-CB 3.72Å
109K72.1Confident66.3Low72 Ų7265.9 Ų65.931%0.31340%0.403SS..PPolyproline II helixtrans-76.7137.2166.9-60.8-166.6-165.31550107.6D194 G199 H202K109-D194 HydrophobicContact CD-CB 4.48Å; K109-D194 WeakPolarHBondContact CD-O 3.18Å; K109-D194 WeakPolarHBondContact CE-O 3.28Å; K109-D194 PolarHBondContact NZ-O 3.3Å; K109-G199 WeakPolarHBondContact CE-O 3.37Å; K109-H202 PolarHBondContact O-CE1 2.78Å
110Q60.1Low64Low110 Ų11068.8 Ų68.851%0.51440%0.404SS..PPolyproline II helixtrans-66.5131.1169.3-64.2-151.7-36.300107.6
111P50.5Low61.7Low61 Ų6171.2 Ų71.240%0.39642%0.424SS..PPolyproline II helixtrans-57.6134.3172.522.7-29.8000107.8
112P40Very low59.7Low47 Ų4775.7 Ų75.731%0.30545%0.445SS..PPolyproline II helixtrans-57.2144.4175.1-17.528.1000108.9A114 T115 D194P112-A114 PolarHBondContact O-N 3.44Å; P112-T115 VanDerWaalsContact CB-OG1 3.25Å; P112-T115 WeakPolarHBondContact CB-OG1 3.44Å; P112-T115 VanDerWaalsContact CG-OG1 3.26Å; P112-T115 WeakPolarHBondContact CG-OG1 3.32Å; P112-D194 WeakPolarHBondContact CD-OD2 3.06Å
113P36.7Very low58.2Low132 Ų13275.3 Ų75.386%0.85744%0.441SS*.THydrogen-bonded Turntrans-57.1105.7173.7-18.929.9000109.1
114A38.4Very low57.2Low102 Ų10273.1 Ų73.184%0.84342%0.423SS*.THydrogen-bonded Turntrans79.121.217300000120.3P112P112-A114 PolarHBondContact O-N 3.44Å
115T32.7Very low56.5Low87 Ų8774.1 Ų74.153%0.53443%0.431SS..  trans-114.327.3174.666.50000116.6P112 P117P112-T115 VanDerWaalsContact CB-OG1 3.25Å; P112-T115 WeakPolarHBondContact CB-OG1 3.44Å; P112-T115 VanDerWaalsContact CG-OG1 3.26Å; P112-T115 WeakPolarHBondContact CG-OG1 3.32Å; T115-P117 WeakPolarHBondContact O-CD 3.39Å
116H35.8Very low55.8Low81 Ų8178.3 Ų78.338%0.37545%0.446SS..SBendtrans-75.2113.9144.9-71.7-84.8000106.3H118 D204H116-H118 PolarHBondContact O-N 3.43Å; H116-D204 IonicContact CE1-OD2 3.04Å
117P36.3Very low55.5Low119 Ų11982.1 Ų82.177%0.77347%0.471SS*.SBendtrans-68.882.6172.529.4-33.1000108.1T115T115-P117 WeakPolarHBondContact O-CD 3.39Å
118H32.2Very low55.8Low165 Ų16582 Ų8276%0.76447%0.468SS*.  trans57.3120.1-177.2-57.6-72.6000113H116 H120H116-H118 PolarHBondContact O-N 3.43Å; H118-H120 PolarHBondContact O-N 2.89Å
119P43.5Very low56.1Low61 Ų6186.9 Ų86.940%0.39649%0.494SS..  trans-50.3134.9164-16.527.5000107.5E123P119-E123 WeakPolarHBondContact CA-OE2 3.42Å; P119-E123 HydrophobicContact CB-CB 3.28Å; P119-E123 HydrophobicContact CB-CG 4.02Å; P119-E123 WeakPolarHBondContact CB-OE2 3.41Å
120H47.6Very low56.6Low110 Ų11088.2 Ų88.251%0.50951%0.51SS..  trans-42.5139.9162-92.8-85.2000106.9H118 E122 E123H118-H120 PolarHBondContact O-N 2.89Å; H120-E122 PolarHBondContact O-N 2.03Å; H120-E123 HydrophobicContact CB-CG 4.07Å; H120-E123 IonicContact CD2-OE1 3.28Å; H120-E123 PolarHBondContact N-OE1 2.78Å; H120-E123 VanDerWaalsContact O-CB 3.26Å; H120-E123 WeakPolarHBondContact O-CB 3.39Å; H120-E123 PolarHBondContact O-N 2.93Å
121P49.2Very low57.9Low102 Ų10285.9 Ų85.966%0.66250%0.501SS*.THydrogen-bonded Turntrans-53.5-15.6-174.3-28.133.9000115.2R126P121-R126 PolarHBondContact O-NH2 3.35Å
122E55.7Low59.6Low95 Ų9593.6 Ų93.644%0.44452%0.522SS..THydrogen-bonded Turntrans-76.7-26.4173.6-142.1163.9-169.100114.4H120H120-E122 PolarHBondContact O-N 2.03Å
123E63.4Low61.8Low22 Ų2294.6 Ų94.610%0.10352%0.523CS..THydrogen-bonded Turntrans-78.1-28.2179.5-64.2178.7-141.700113.8P119 H120 Y247 A249P119-E123 WeakPolarHBondContact CA-OE2 3.42Å; P119-E123 HydrophobicContact CB-CB 3.28Å; P119-E123 HydrophobicContact CB-CG 4.02Å; P119-E123 WeakPolarHBondContact CB-OE2 3.41Å; H120-E123 HydrophobicContact CB-CG 4.07Å; H120-E123 IonicContact CD2-OE1 3.28Å; H120-E123 PolarHBondContact N-OE1 2.78Å; H120-E123 VanDerWaalsContact O-CB 3.26Å; H120-E123 WeakPolarHBondContact O-CB 3.39Å; H120-E123 PolarHBondContact O-N 2.93Å; E123-Y247 VanDerWaalsContact CD-OH 3.29Å; E123-Y247 HydrophobicContact CG-CE2 3.59Å; E123-Y247 WeakPolarHBondContact CG-OH 3.5Å; E123-Y247 PolarHBondContact OE1-OH 3.29Å; E123-Y247 VanDerWaalsContact OE1-OH 3.12Å; E123-A249 WeakPolarHBondContact O-CB 3.33Å; E123-A249 PolarHBondContact O-N 3.14Å
124A71.3Confident64.5Low40 Ų4089.9 Ų89.933%0.33149%0.493SS..SBendtrans-52.5132.7-174.100000110.3R126A124-R126 WeakPolarHBondContact O-CG 3.39Å; A124-R126 PolarHBondContact O-N 2.74Å; A124-R126 VanDerWaalsContact O-N 3.07Å
125P77.3Confident67.1Low73 Ų7390.4 Ų90.447%0.47449%0.489SS..  trans-56.1121.4-178.9-22.329.9000110.7A249P125-A249 HydrophobicContact CB-CB 4.35Å; P125-A249 HydrophobicContact CG-CB 4.03Å
126R79.9Confident70.2Confident118 Ų11889.4 Ų89.445%0.44549%0.485SS..  trans-117.1144.6177-70-178.8-165.9-159.35.5109.7P121 A124 V128 P251P121-R126 PolarHBondContact O-NH2 3.35Å; A124-R126 WeakPolarHBondContact O-CG 3.39Å; A124-R126 PolarHBondContact O-N 2.74Å; A124-R126 VanDerWaalsContact O-N 3.07Å; R126-V128 PolarHBondContact O-N 3.41Å; R126-P251 VanDerWaalsContact O-CD 3.3Å; R126-P251 WeakPolarHBondContact O-CD 3.3Å; R126-P251 WeakPolarHBondContact O-CG 3.36Å
127P84.4Confident73.1Confident102 Ų10286 Ų8666%0.66247%0.469SS*.PPolyproline II helixtrans-53.3129.6172-25.834.5000111
128V85.5Confident76.1Confident7 Ų781 Ų814%0.04244%0.436CS..PPolyproline II helixtrans-75.5126.3170.9-171.70000107.3R126 T260 A261R126-V128 PolarHBondContact O-N 3.41Å; V128-T260 HydrophobicContact CB-CG2 4.03Å; V128-T260 HydrophobicContact CG1-CG2 3.56Å; V128-A261 HydrophobicContact CG2-CB 4.24Å
129D86Confident79.3Confident118 Ų11874.2 Ų74.263%0.63140%0.404SS*.PPolyproline II helixtrans-56.9125.8-179-70.1-34.2000110.5I131 T260 R264D129-I131 PolarHBondContact O-N 2.93Å; D129-T260 WeakPolarHBondContact O-CG2 3.33Å; D129-R264 PolarHBondContact O-NH2 2.81Å
130P83.2Confident81.9Confident101 Ų10174.8 Ų74.866%0.65640%0.398SS*.PPolyproline II helixtrans-55.8139.1-179.8-2533.1000111.6
131I86.6Confident84.3Confident61 Ų6178 Ų7831%0.31341%0.411SS..  trans-126.3165.6168.660.6174.6000109.5D129 M133 T260 A263 R264D129-I131 PolarHBondContact O-N 2.93Å; I131-M133 HydrophobicContact CG1-CG 4.24Å; I131-M133 PolarHBondContact O-N 3.49Å; I131-T260 HydrophobicContact CG1-CG2 4.25Å; I131-A263 HydrophobicContact CD1-CB 3.8Å; I131-R264 HydrophobicContact CD1-CG 3.92Å
132W85.7Confident86.5Confident223 Ų22379.3 Ų79.385%0.84541%0.406SS*.  trans-63.4105.3160.5-173.782.7000108.3P134W132-P134 HydrophobicContact CZ3-CB 4.35Å
133M86.3Confident88.5Confident67 Ų6776.3 Ų76.333%0.3340%0.4SS..  trans-81.3126.6-178.7-64.9-169.6-52.300109.5I131 R256 A259 T260I131-M133 HydrophobicContact CG1-CG 4.24Å; I131-M133 PolarHBondContact O-N 3.49Å; M133-R256 HydrophobicContact CE-CG 4.43Å; M133-A259 HydrophobicContact SD-CB 4.07Å; M133-T260 PolarHBondContact SD-OG1 2.79Å
134P93.3Very high90.2Very high33 Ų3375.3 Ų75.321%0.21440%0.396CS..  trans-64.7152171.330.6-35.8000110.1W132 C136 I137 Y306W132-P134 HydrophobicContact CZ3-CB 4.35Å; P134-C136 PolarHBondContact O-N 2.77Å; P134-I137 HydrophobicContact CG-CB 3.93Å; P134-Y306 VanDerWaalsContact O-CE2 3.29Å; P134-Y306 WeakPolarHBondContact O-CE2 3.46Å; P134-Y306 PolarHBondContact O-OH 3.42Å
135C92.9Very high91.5Very high113 Ų11374.4 Ų74.476%0.76439%0.387SS*.SBendtrans-67.6-23.9174.256.10000113.1
136C97.5Very high92.5Very high66 Ų6671.5 Ų71.545%0.44637%0.368SS..  trans-146.1131.5176.2170.10000109P134 Y306 C307P134-C136 PolarHBondContact O-N 2.77Å; C136-Y306 CarbonylContact C-O 3.59Å; C136-Y306 VanDerWaalsContact CA-O 3.26Å; C136-Y306 WeakPolarHBondContact CA-O 3.15Å; C136-C307 HydrophobicContact CB-CB 3.73Å; C136-C307 WeakPolarHBondContact CB-SG 3.2Å; C136-C307 WeakPolarHBondContact SG-CB 3.29Å; C136-C307 CovalentContact SG-SG 2.05Å; C136-C307 PolarHBondContact SG-SG 2.89Å
137I98Very high93.4Very high10 Ų1068.2 Ų68.25%0.05137%0.37CS..EExtended strand (participates in β ladder)trans-133.2134.6170.4-169.4169.3000109P134 W139 V262 A263 G305 Y306P134-I137 HydrophobicContact CG-CB 3.93Å; I137-W139 HydrophobicContact CD1-CD2 4.42Å; I137-W139 HydrophobicContact CD1-CH2 4.17Å; I137-W139 HydrophobicContact CD1-CZ2 3.45Å; I137-W139 VanDerWaalsContact CD1-CZ2 3.45Å; I137-W139 HydrophobicContact CG1-CZ2 4.5Å; I137-V262 HydrophobicContact CG2-CG1 4.43Å; I137-A263 VanDerWaalsContact CD1-O 3.26Å; I137-A263 WeakPolarHBondContact CD1-O 3.42Å; I137-G305 CarbonylContact O-C 3.43Å; I137-G305 WeakPolarHBondContact O-CA 3.26Å; I137-Y306 HydrophobicContact CG2-CD1 3.65Å; I137-Y306 HydrophobicContact CG2-CD2 4.48Å; I137-Y306 HydrophobicContact CG2-CE1 3.39Å; I137-Y306 HydrophobicContact CG2-CE2 4.26Å; I137-Y306 HydrophobicContact CG2-CG 4.2Å; I137-Y306 PolarHBondContact N-O 2.94Å; I137-Y306 PolarHBondContact O-N 3.42Å
138D98.4Very high94.1Very high13 Ų1364.3 Ų64.37%0.0734%0.344CS..EExtended strand (participates in β ladder)trans-140106.5176.2-173.3-21.2000108.8R140 F141 K142 I318D138-R140 PolarHBondContact O-N 2.96Å; D138-R140 WeakPolarHBondContact OD1-CB 3.37Å; D138-R140 WeakPolarHBondContact OD1-CG 3.19Å; D138-R140 IonicContact OD1-CZ 2.96Å; D138-R140 PolarHBondContact OD1-N 3Å; D138-R140 IonicContact OD1-NE 2.76Å; D138-R140 PolarHBondContact OD1-NE 2.91Å; D138-R140 IonicContact OD1-NH2 3.61Å; D138-R140 IonicContact OD2-CZ 2.65Å; D138-R140 VanDerWaalsContact OD2-CZ 3.26Å; D138-R140 IonicContact OD2-NE 2.72Å; D138-R140 PolarHBondContact OD2-NE 3.2Å; D138-R140 IonicContact OD2-NH2 3.86Å; D138-R140 PolarHBondContact OD2-NH2 3.08Å; D138-F141 HydrophobicContact CB-CD2 3.76Å; D138-F141 HydrophobicContact CB-CE2 4.38Å; D138-F141 PolarHBondContact O-N 2.85Å; D138-F141 WeakPolarHBondContact OD2-CD2 3.46Å; D138-F141 WeakPolarHBondContact OD2-CE2 3.49Å; D138-K142 PolarHBondContact O-N 2.77Å; D138-I318 HydrophobicContact CB-CD1 4.14Å
139W98.7Very high94.7Very high23 Ų2365.4 Ų65.49%0.08735%0.348CS..THydrogen-bonded Turntrans-66.3-17.7-178.3-71.5112.7000112.7I137 K142 G143 A144 V145 I172 V262 R264 P266 V304I137-W139 HydrophobicContact CD1-CD2 4.42Å; I137-W139 HydrophobicContact CD1-CH2 4.17Å; I137-W139 HydrophobicContact CD1-CZ2 3.45Å; I137-W139 VanDerWaalsContact CD1-CZ2 3.45Å; I137-W139 HydrophobicContact CG1-CZ2 4.5Å; W139-K142 HydrophobicContact CD2-CD 4.3Å; W139-K142 HydrophobicContact CE3-CB 3.89Å; W139-K142 HydrophobicContact CE3-CD 3.54Å; W139-K142 HydrophobicContact CE3-CG 4.32Å; W139-K142 HydrophobicContact CH2-CD 4.21Å; W139-K142 HydrophobicContact CZ3-CB 4.34Å; W139-K142 HydrophobicContact CZ3-CD 3.49Å; W139-K142 VanDerWaalsContact CZ3-CD 3.49Å; W139-K142 CarbonylContact O-C 3.59Å; W139-K142 PolarHBondContact O-N 2.87Å; W139-G143 PolarHBondContact O-N 2.71Å; W139-G143 VanDerWaalsContact O-N 3.15Å; W139-A144 HydrophobicContact CB-CB 4.27Å; W139-A144 HydrophobicContact CE3-CB 3.9Å; W139-A144 PolarHBondContact O-N 2.69Å; W139-V145 HydrophobicContact CB-CG2 3.67Å; W139-I172 HydrophobicContact CD2-CD1 4.21Å; W139-I172 HydrophobicContact CE3-CD1 3.85Å; W139-I172 HydrophobicContact CE3-CG1 4.14Å; W139-I172 HydrophobicContact CH2-CD1 3.63Å; W139-I172 HydrophobicContact CH2-CG1 4.11Å; W139-I172 HydrophobicContact CZ2-CD1 4.01Å; W139-I172 HydrophobicContact CZ3-CD1 3.53Å; W139-I172 HydrophobicContact CZ3-CG1 3.66Å; W139-V262 PolarHBondContact NE1-O 3.33Å; W139-R264 WeakPolarHBondContact CH2-O 3.49Å; W139-R264 VanDerWaalsContact CZ2-O 3.31Å; W139-R264 WeakPolarHBondContact CZ2-O 3.38Å; W139-P266 HydrophobicContact CB-CG 4.19Å; W139-P266 HydrophobicContact CG-CG 4Å; W139-V304 HydrophobicContact CB-CB 4.48Å; W139-V304 WeakPolarHBondContact CB-O 2.97Å; W139-V304 PolarHBondContact N-O 3.34Å
140R98.5Very high95.3Very high74 Ų7463.3 Ų63.328%0.27934%0.338SS..THydrogen-bonded Turntrans-64.9-45.8174.2-52.9173-64.2-178.92.4110.1D138 K142 G143 V145 V304 Y332D138-R140 PolarHBondContact O-N 2.96Å; D138-R140 WeakPolarHBondContact OD1-CB 3.37Å; D138-R140 WeakPolarHBondContact OD1-CG 3.19Å; D138-R140 IonicContact OD1-CZ 2.96Å; D138-R140 PolarHBondContact OD1-N 3Å; D138-R140 IonicContact OD1-NE 2.76Å; D138-R140 PolarHBondContact OD1-NE 2.91Å; D138-R140 IonicContact OD1-NH2 3.61Å; D138-R140 IonicContact OD2-CZ 2.65Å; D138-R140 VanDerWaalsContact OD2-CZ 3.26Å; D138-R140 IonicContact OD2-NE 2.72Å; D138-R140 PolarHBondContact OD2-NE 3.2Å; D138-R140 IonicContact OD2-NH2 3.86Å; D138-R140 PolarHBondContact OD2-NH2 3.08Å; R140-K142 PolarHBondContact O-N 3.07Å; R140-G143 PolarHBondContact O-N 3.11Å; R140-V145 HydrophobicContact CG-CB 4.01Å; R140-V145 HydrophobicContact CG-CG1 4.2Å; R140-V145 HydrophobicContact CG-CG2 3.9Å; R140-V304 HydrophobicContact CG-CG2 4.27Å; R140-Y332 VanDerWaalsContact CD-CZ 3.49Å; R140-Y332 HydrophobicContact CG-CE1 4.31Å
141F97.6Very high96Very high178 Ų17858.5 Ų58.578%0.78131%0.306SS*.THydrogen-bonded Turntrans-72.3-15.4176.7-64.2-49.3000113.4D138 G143D138-F141 HydrophobicContact CB-CD2 3.76Å; D138-F141 HydrophobicContact CB-CE2 4.38Å; D138-F141 PolarHBondContact O-N 2.85Å; D138-F141 WeakPolarHBondContact OD2-CD2 3.46Å; D138-F141 WeakPolarHBondContact OD2-CE2 3.49Å; F141-G143 VanDerWaalsContact C-N 3.34Å
142K97.2Very high96.4Very high128 Ų12856.9 Ų56.956%0.55730%0.304SS*.THydrogen-bonded Turntrans-90.51.5169.7-64.7-180176.4-71.30113.1D138 W139 R140 A144D138-K142 PolarHBondContact O-N 2.77Å; W139-K142 HydrophobicContact CD2-CD 4.3Å; W139-K142 HydrophobicContact CE3-CB 3.89Å; W139-K142 HydrophobicContact CE3-CD 3.54Å; W139-K142 HydrophobicContact CE3-CG 4.32Å; W139-K142 HydrophobicContact CH2-CD 4.21Å; W139-K142 HydrophobicContact CZ3-CB 4.34Å; W139-K142 HydrophobicContact CZ3-CD 3.49Å; W139-K142 VanDerWaalsContact CZ3-CD 3.49Å; W139-K142 CarbonylContact O-C 3.59Å; W139-K142 PolarHBondContact O-N 2.87Å; R140-K142 PolarHBondContact O-N 3.07Å; K142-A144 VanDerWaalsContact C-N 3.29Å; K142-A144 PolarHBondContact O-N 2.8Å
143G97.8Very high96.8Very high32 Ų3249.7 Ų49.733%0.3329%0.292SS..THydrogen-bonded Turntrans68.424.217900000114.2W139 R140 F141 K171 L177W139-G143 PolarHBondContact O-N 2.71Å; W139-G143 VanDerWaalsContact O-N 3.15Å; R140-G143 PolarHBondContact O-N 3.11Å; F141-G143 VanDerWaalsContact C-N 3.34Å; G143-K171 VanDerWaalsContact O-CE 3.31Å; G143-K171 WeakPolarHBondContact O-CE 3.07Å; G143-K171 WeakPolarHBondContact O-CG 3.43Å; G143-L177 WeakPolarHBondContact O-CD2 3.4Å
144A98.4Very high97.2Very high1 Ų146.5 Ų46.51%0.00828%0.277CS..  trans-107.627.6-178.900000113.1W139 K142 G168 K171 I172W139-A144 HydrophobicContact CB-CB 4.27Å; W139-A144 HydrophobicContact CE3-CB 3.9Å; W139-A144 PolarHBondContact O-N 2.69Å; K142-A144 VanDerWaalsContact C-N 3.29Å; K142-A144 PolarHBondContact O-N 2.8Å; A144-G168 WeakPolarHBondContact O-CA 3.46Å; A144-K171 HydrophobicContact CB-CB 4Å; A144-K171 HydrophobicContact CB-CG 3.76Å; A144-I172 HydrophobicContact CB-CG1 4.29Å
145V98.8Very high97.2Very high22 Ų2245.1 Ų45.113%0.13327%0.269CS..  trans-141.6121.1178-1740000108.1W139 R140 V304 K320W139-V145 HydrophobicContact CB-CG2 3.67Å; R140-V145 HydrophobicContact CG-CB 4.01Å; R140-V145 HydrophobicContact CG-CG1 4.2Å; R140-V145 HydrophobicContact CG-CG2 3.9Å; V145-V304 HydrophobicContact CG1-CG1 4.05Å; V145-V304 HydrophobicContact CG2-CB 3.82Å; V145-V304 HydrophobicContact CG2-CG1 3.72Å; V145-K320 HydrophobicContact CG1-CD 3.72Å
146T98.6Very high97.4Very high12 Ų1239.8 Ų39.87%0.07423%0.232CC..PPolyproline II helixtrans-67.5170.4172570000111.4E167 L177 P179 K320T146-E167 WeakPolarHBondContact CB-OE2 3.46Å; T146-E167 HydrophobicContact CG2-CB 4.35Å; T146-E167 VanDerWaalsContact CG2-CD 3.41Å; T146-E167 HydrophobicContact CG2-CG 4.21Å; T146-E167 WeakPolarHBondContact CG2-OE2 3.44Å; T146-E167 PolarHBondContact OG1-OE2 3.07Å; T146-L177 HydrophobicContact CG2-CD1 3.89Å; T146-L177 HydrophobicContact CG2-CD2 4.06Å; T146-L177 HydrophobicContact CG2-CG 3.86Å; T146-P179 HydrophobicContact CG2-CB 4.46Å; T146-P179 HydrophobicContact CG2-CG 4.23Å; T146-K320 PolarHBondContact O-NZ 3.19Å; T146-K320 PolarHBondContact OG1-NZ 2.93Å
147G98.1Very high97.4Very high49 Ų4936.6 Ų36.651%0.50521%0.211SC..PPolyproline II helixtrans-55.2154.417400000113.1K149 K320G147-K149 PolarHBondContact O-N 2.97Å; G147-K320 WeakPolarHBondContact O-CE 3.22Å; G147-K320 PolarHBondContact O-NZ 2.95Å
148V98.7Very high97.3Very high19 Ų1936.1 Ų36.112%0.11521%0.209CC..PPolyproline II helixtrans-65.6129.8170169.10000109.3K320 K325 Q330 Y332V148-K320 HydrophobicContact CG2-CG 4.41Å; V148-K325 HydrophobicContact CB-CG 3.96Å; V148-K325 HydrophobicContact CG1-CG 4.18Å; V148-Q330 WeakPolarHBondContact CG2-O 3.36Å; V148-Y332 HydrophobicContact CG2-CD2 4.07Å; V148-Y332 HydrophobicContact CG2-CE2 3.43Å; V148-Y332 VanDerWaalsContact CG2-CE2 3.43Å
149K98.4Very high97.2Very high30 Ų3035.5 Ų35.513%0.1321%0.205CC..  trans-104.8175.4177.2-62178.1172.8-178.70110.8G147 F160 E167 L180 E182 E219 S322 G324G147-K149 PolarHBondContact O-N 2.97Å; K149-F160 HydrophobicContact CB-CD1 3.99Å; K149-F160 HydrophobicContact CB-CE1 3.64Å; K149-F160 HydrophobicContact CD-CD1 4.21Å; K149-F160 HydrophobicContact CD-CE1 3.95Å; K149-F160 HydrophobicContact CG-CE1 4.46Å; K149-E167 IonicContact NZ-OE1 2.86Å; K149-L180 PolarHBondContact NZ-O 3.47Å; K149-E182 WeakPolarHBondContact CD-OE1 3.25Å; K149-E182 WeakPolarHBondContact CE-OE1 3.38Å; K149-E182 IonicContact NZ-OE1 3.8Å; K149-E182 PolarHBondContact NZ-OE1 2.88Å; K149-E182 IonicContact NZ-OE2 3.92Å; K149-E182 PolarHBondContact NZ-OE2 2.71Å; K149-E219 WeakPolarHBondContact CE-OE2 3.19Å; K149-E219 IonicContact NZ-OE1 2.79Å; K149-E219 IonicContact NZ-OE2 2.97Å; K149-E219 PolarHBondContact NZ-OE2 2.59Å; K149-S322 CarbonylContact O-C 3.33Å; K149-G324 WeakPolarHBondContact O-CA 3.31Å; K149-G324 PolarHBondContact O-N 2.69Å
150D97.9Very high97.2Very high75 Ų7534.9 Ų34.940%0.40120%0.203SC..BIsolated β-bridgetrans-131.6118.2178.7-166.7-16.1000109.8G152 S322D150-G152 PolarHBondContact O-N 3.19Å; D150-G152 PolarHBondContact OD1-N 2.74Å; D150-S322 CarbonylContact C-O 3.52Å; D150-S322 WeakPolarHBondContact CA-O 3.29Å
151Q97.7Very high97.2Very high0 Ų031.5 Ų31.50%019%0.191CC..  trans-74.7-13.6176.876.3-1707700112.4Y105 C154 F160 Y224 H299 S322Y105-Q151 PolarHBondContact O-NE2 3.11Å; Y105-Q151 VanDerWaalsContact O-NE2 3.07Å; Q151-C154 PolarHBondContact NE2-O 2.84Å; Q151-F160 HydrophobicContact CB-CD2 3.82Å; Q151-F160 HydrophobicContact CB-CE2 3.42Å; Q151-F160 VanDerWaalsContact CB-CE2 3.42Å; Q151-F160 HydrophobicContact CB-CZ 3.91Å; Q151-Y224 PolarHBondContact O-OH 3.38Å; Q151-H299 PolarHBondContact OE1-CE1 3.31Å; Q151-S322 WeakPolarHBondContact CG-O 3.5Å; Q151-S322 PolarHBondContact N-O 3.46Å; Q151-S322 PolarHBondContact OE1-O 2.76Å; Q151-S322 PolarHBondContact OE1-OG 3.49Å
152G95.8Very high97.2Very high26 Ų2623 Ų2327%0.26815%0.154SC..  trans59.1-151.3-174.900000113Y105 D150 C154Y105-G152 VanDerWaalsContact CD1-O 3.29Å; Y105-G152 WeakPolarHBondContact CD1-O 3.42Å; Y105-G152 VanDerWaalsContact CE1-O 3.31Å; Y105-G152 WeakPolarHBondContact CE1-O 3.45Å; D150-G152 PolarHBondContact O-N 3.19Å; D150-G152 PolarHBondContact OD1-N 2.74Å; G152-C154 PolarHBondContact O-N 2.88Å
153A94.4Very high97.3Very high72 Ų7217 Ų1760%0.59513%0.127SC*.SBendtrans-81.252.3-179.500000112.5T104T104-A153 HydrophobicContact CG2-CB 3.59Å
154C94.7Very high97.3Very high1 Ų115.9 Ų15.91%0.00712%0.115CC..SBendtrans-139.5127.8-179.5173.50000109.3Q151 G152 S156 C198 G226Q151-C154 PolarHBondContact NE2-O 2.84Å; G152-C154 PolarHBondContact O-N 2.88Å; C154-S156 PolarHBondContact O-N 3.27Å; C154-S156 VanDerWaalsContact SG-CB 3.52Å; C154-S156 PolarHBondContact SG-OG 3.4Å; C154-C198 HydrophobicContact CB-CB 3.89Å; C154-C198 WeakPolarHBondContact CB-SG 3.19Å; C154-C198 WeakPolarHBondContact SG-CA 3.22Å; C154-C198 WeakPolarHBondContact SG-CB 3.34Å; C154-C198 CovalentContact SG-SG 2.03Å; C154-C198 PolarHBondContact SG-SG 3.07Å; C154-G226 WeakPolarHBondContact CB-O 3.32Å
155G94Very high97.3Very high4 Ų415.8 Ų15.84%0.04112%0.115CC..  trans-7248.1177.300000114.1G107 W158 C198 G200G107-G155 WeakPolarHBondContact CA-O 3.25Å; G155-W158 PolarHBondContact O-NE1 3.01Å; G155-C198 VanDerWaalsContact CA-O 3.26Å; G155-C198 WeakPolarHBondContact CA-O 3.37Å; G155-C198 PolarHBondContact N-O 3.31Å; G155-C198 VanDerWaalsContact N-O 3.08Å; G155-G200 WeakPolarHBondContact O-CA 3.36Å
156S95.9Very high97.3Very high0 Ų014.8 Ų14.80%011%0.109CC..  trans-101.713.4-173.553.20000114.2C154 W158 A159 F160 Y224C154-S156 PolarHBondContact O-N 3.27Å; C154-S156 VanDerWaalsContact SG-CB 3.52Å; C154-S156 PolarHBondContact SG-OG 3.4Å; S156-W158 PolarHBondContact O-N 3.49Å; S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.31Å; S156-F160 WeakPolarHBondContact O-CD2 3.25Å; S156-F160 PolarHBondContact O-N 3.03Å; S156-F160 WeakPolarHBondContact OG-CE2 3.4Å; S156-Y224 PolarHBondContact OG-OH 2.81Å
157S97.1Very high97.3Very high0 Ų014.3 Ų14.30%011%0.106CC..Hα-helixtrans-54.8-30.1-177.657.80000114.1A159 F160 A161 H299 A300S157-A159 VanDerWaalsContact C-N 3.33Å; S157-A159 PolarHBondContact O-N 2.86Å; S157-F160 PolarHBondContact O-N 2.97Å; S157-A161 WeakPolarHBondContact O-CB 3.36Å; S157-A161 PolarHBondContact O-N 2.95Å; S157-H299 WeakPolarHBondContact CB-CE1 3.29Å; S157-H299 VanDerWaalsContact CB-ND1 3.3Å; S157-H299 WeakPolarHBondContact CB-ND1 3.34Å; S157-H299 PolarHBondContact OG-CE1 3.25Å; S157-H299 PolarHBondContact OG-ND1 3.49Å; S157-A300 PolarHBondContact OG-N 3.43Å
158W95.6Very high97.4Very high0 Ų012 Ų120%08%0.081CC..Hα-helixtrans-57.8-41.3172.264-91.3000112.6G155 S156 A162 L185 V189 G197 G201 T203 A206G155-W158 PolarHBondContact O-NE1 3.01Å; S156-W158 PolarHBondContact O-N 3.49Å; W158-A162 WeakPolarHBondContact O-CB 3.28Å; W158-A162 PolarHBondContact O-N 3.23Å; W158-A162 VanDerWaalsContact O-N 3.16Å; W158-L185 HydrophobicContact CH2-CB 4.23Å; W158-L185 WeakPolarHBondContact CH2-O 3.14Å; W158-L185 HydrophobicContact CZ3-CB 4.16Å; W158-V189 HydrophobicContact CH2-CB 3.89Å; W158-V189 HydrophobicContact CH2-CG1 4.43Å; W158-V189 HydrophobicContact CH2-CG2 3.84Å; W158-V189 HydrophobicContact CZ3-CB 4.3Å; W158-V189 HydrophobicContact CZ3-CG2 3.87Å; W158-G197 PolarHBondContact NE1-O 3.26Å; W158-G201 WeakPolarHBondContact CB-O 3.33Å; W158-G201 VanDerWaalsContact CG-C 3.49Å; W158-T203 HydrophobicContact CB-CG2 4.39Å; W158-T203 VanDerWaalsContact O-CG2 3.28Å; W158-T203 WeakPolarHBondContact O-CG2 3.2Å; W158-A206 HydrophobicContact CE3-CB 3.84Å; W158-A206 HydrophobicContact CZ3-CB 3.65Å
159A96.8Very high97.4Very high0 Ų011 Ų110%08%0.076CC..Hα-helixtrans-69.7-45176.800000110.9S156 S157 A161 A162 V163 E182 L185 V186S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.31Å; S157-A159 VanDerWaalsContact C-N 3.33Å; S157-A159 PolarHBondContact O-N 2.86Å; A159-A161 PolarHBondContact O-N 3.48Å; A159-A162 PolarHBondContact O-N 2.92Å; A159-V163 WeakPolarHBondContact O-CB 3.25Å; A159-V163 WeakPolarHBondContact O-CG2 3.15Å; A159-V163 PolarHBondContact O-N 3.31Å; A159-E182 HydrophobicContact CB-CB 4.42Å; A159-L185 HydrophobicContact CB-CB 3.92Å; A159-L185 HydrophobicContact CB-CD1 4.26Å; A159-V186 HydrophobicContact CB-CG2 4.03Å
160F98.5Very high97.4Very high10 Ų1011.1 Ų11.14%0.0448%0.077CC..Hα-helixtrans-60-43.1176.7-78.3-92.6000112.6K149 Q151 S156 S157 A164 E182 Y224K149-F160 HydrophobicContact CB-CD1 3.99Å; K149-F160 HydrophobicContact CB-CE1 3.64Å; K149-F160 HydrophobicContact CD-CD1 4.21Å; K149-F160 HydrophobicContact CD-CE1 3.95Å; K149-F160 HydrophobicContact CG-CE1 4.46Å; Q151-F160 HydrophobicContact CB-CD2 3.82Å; Q151-F160 HydrophobicContact CB-CE2 3.42Å; Q151-F160 VanDerWaalsContact CB-CE2 3.42Å; Q151-F160 HydrophobicContact CB-CZ 3.91Å; S156-F160 WeakPolarHBondContact O-CD2 3.25Å; S156-F160 PolarHBondContact O-N 3.03Å; S156-F160 WeakPolarHBondContact OG-CE2 3.4Å; S157-F160 PolarHBondContact O-N 2.97Å; F160-A164 WeakPolarHBondContact O-CB 3.1Å; F160-A164 PolarHBondContact O-N 2.75Å; F160-E182 HydrophobicContact CB-CG 4.28Å; F160-E182 HydrophobicContact CD1-CG 3.61Å; F160-E182 HydrophobicContact CD2-CB 4.29Å; F160-E182 HydrophobicContact CD2-CG 3.97Å; F160-E182 HydrophobicContact CE1-CB 4.35Å; F160-E182 HydrophobicContact CE1-CG 3.77Å; F160-E182 HydrophobicContact CE2-CB 4.08Å; F160-E182 HydrophobicContact CE2-CG 4.12Å; F160-E182 HydrophobicContact CG-CG 3.71Å; F160-E182 HydrophobicContact CZ-CB 4.12Å; F160-E182 HydrophobicContact CZ-CG 4.03Å; F160-Y224 HydrophobicContact CE2-CD2 4.19Å; F160-Y224 HydrophobicContact CE2-CE1 4.21Å; F160-Y224 AromaticContact CE2-CE2 3.53Å; F160-Y224 HydrophobicContact CE2-CE2 3.53Å; F160-Y224 AromaticContact CE2-CZ 3.54Å; F160-Y224 HydrophobicContact CZ-CD1 4.03Å; F160-Y224 AromaticContact CZ-CD2 3.89Å; F160-Y224 HydrophobicContact CZ-CD2 3.89Å; F160-Y224 AromaticContact CZ-CE1 3.79Å; F160-Y224 HydrophobicContact CZ-CE1 3.79Å; F160-Y224 AromaticContact CZ-CE2 3.63Å; F160-Y224 HydrophobicContact CZ-CE2 3.63Å; F160-Y224 HydrophobicContact CZ-CG 4.07Å; F160-Y224 AromaticContact CZ-CZ 3.58Å
161A98.5Very high97.4Very high3 Ų310.6 Ų10.63%0.0257%0.071CC..Hα-helixtrans-66-42.9179.700000111.7S157 A159 A165 T203 T268 A300 T302S157-A161 WeakPolarHBondContact O-CB 3.36Å; S157-A161 PolarHBondContact O-N 2.95Å; A159-A161 PolarHBondContact O-N 3.48Å; A161-A165 PolarHBondContact O-N 2.79Å; A161-A165 VanDerWaalsContact O-N 3.11Å; A161-T203 HydrophobicContact CB-CG2 3.94Å; A161-T268 HydrophobicContact CB-CG2 4.22Å; A161-T268 WeakPolarHBondContact O-CG2 3.25Å; A161-A300 HydrophobicContact CB-CB 3.71Å; A161-T302 VanDerWaalsContact CA-OG1 3.25Å; A161-T302 WeakPolarHBondContact CA-OG1 3.36Å; A161-T302 PolarHBondContact O-OG1 3.5Å
162A97.8Very high97.4Very high0 Ų013.6 Ų13.60%09%0.087CC..Hα-helixtrans-63.2-48.3176.200000111.7W158 A159 A164 A165 M166 L185 T203 A206 F207W158-A162 WeakPolarHBondContact O-CB 3.28Å; W158-A162 PolarHBondContact O-N 3.23Å; W158-A162 VanDerWaalsContact O-N 3.16Å; A159-A162 PolarHBondContact O-N 2.92Å; A162-A164 PolarHBondContact O-N 3.42Å; A162-A165 PolarHBondContact O-N 3.34Å; A162-M166 WeakPolarHBondContact O-CG 3.45Å; A162-M166 PolarHBondContact O-N 2.89Å; A162-L185 HydrophobicContact CB-CD1 4.46Å; A162-T203 HydrophobicContact CB-CG2 4.47Å; A162-A206 HydrophobicContact CB-CB 3.71Å; A162-F207 HydrophobicContact CB-CD1 4.22Å; A162-F207 HydrophobicContact CB-CE1 3.74Å; A162-F207 HydrophobicContact CB-CZ 4.04Å
163V98.8Very high97.5Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-56.2-51.1176.1161.70000111.2A159 A165 M166 E167 L180 E182 L185 I216A159-V163 WeakPolarHBondContact O-CB 3.25Å; A159-V163 WeakPolarHBondContact O-CG2 3.15Å; A159-V163 PolarHBondContact O-N 3.31Å; V163-A165 PolarHBondContact O-N 3.46Å; V163-M166 HydrophobicContact CG2-CE 4.24Å; V163-M166 PolarHBondContact O-N 2.95Å; V163-M166 VanDerWaalsContact O-N 3.08Å; V163-E167 HydrophobicContact CG1-CG 4.01Å; V163-E167 VanDerWaalsContact CG1-OE1 3.32Å; V163-E167 WeakPolarHBondContact CG1-OE1 3.39Å; V163-E167 WeakPolarHBondContact O-CB 3.42Å; V163-E167 VanDerWaalsContact O-CG 3.28Å; V163-E167 WeakPolarHBondContact O-CG 3.4Å; V163-E167 PolarHBondContact O-N 3.08Å; V163-L180 HydrophobicContact CG1-CB 3.9Å; V163-L180 HydrophobicContact CG2-CB 4.48Å; V163-E182 HydrophobicContact CB-CG 4Å; V163-E182 HydrophobicContact CG1-CG 4.28Å; V163-E182 WeakPolarHBondContact CG1-OE1 3.47Å; V163-E182 HydrophobicContact CG2-CG 3.86Å; V163-L185 HydrophobicContact CG2-CD1 3.61Å; V163-I216 HydrophobicContact CG2-CD1 4Å
164A98.9Very high97.6Very high9 Ų919.7 Ų19.77%0.0749%0.094CC..Hα-helixtrans-61.7-31.6-179.400000112.9F160 A162 G168 T302 K320F160-A164 WeakPolarHBondContact O-CB 3.1Å; F160-A164 PolarHBondContact O-N 2.75Å; A162-A164 PolarHBondContact O-N 3.42Å; A164-G168 PolarHBondContact O-N 2.92Å; A164-T302 HydrophobicContact CB-CG2 4.22Å; A164-T302 WeakPolarHBondContact CB-OG1 3.26Å; A164-K320 HydrophobicContact CB-CD 4.22Å
165A98.9Very high97.7Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-70.1-43173.200000112.4A161 A162 V163 G168 L169 F207 T268 T302 P355A161-A165 PolarHBondContact O-N 2.79Å; A161-A165 VanDerWaalsContact O-N 3.11Å; A162-A165 PolarHBondContact O-N 3.34Å; V163-A165 PolarHBondContact O-N 3.46Å; A165-G168 PolarHBondContact O-N 2.74Å; A165-L169 PolarHBondContact O-N 3Å; A165-F207 HydrophobicContact CB-CE1 4.39Å; A165-F207 HydrophobicContact CB-CZ 4.08Å; A165-T268 HydrophobicContact CB-CG2 3.86Å; A165-T302 HydrophobicContact CB-CG2 4.22Å; A165-P355 HydrophobicContact CB-CG 4.18Å
166M98.8Very high97.9Very high1 Ų127.9 Ų27.91%0.00514%0.143CC..Hα-helixtrans-65.6-45.3176.7-67.6-173-73.500112A162 V163 G168 L169 M170 L180 L185 F207 V210 I216 V244 P355A162-M166 WeakPolarHBondContact O-CG 3.45Å; A162-M166 PolarHBondContact O-N 2.89Å; V163-M166 HydrophobicContact CG2-CE 4.24Å; V163-M166 PolarHBondContact O-N 2.95Å; V163-M166 VanDerWaalsContact O-N 3.08Å; M166-G168 VanDerWaalsContact C-N 3.27Å; M166-G168 PolarHBondContact O-N 2.78Å; M166-L169 PolarHBondContact O-N 2.89Å; M166-M170 WeakPolarHBondContact O-CB 3.19Å; M166-M170 VanDerWaalsContact O-CG 3.28Å; M166-M170 WeakPolarHBondContact O-CG 3.44Å; M166-M170 PolarHBondContact O-N 2.81Å; M166-L180 HydrophobicContact CB-CD1 3.92Å; M166-L185 HydrophobicContact CE-CD1 4.21Å; M166-F207 HydrophobicContact CG-CD1 3.99Å; M166-F207 HydrophobicContact CG-CE1 3.77Å; M166-F207 HydrophobicContact SD-CD1 4.03Å; M166-F207 HydrophobicContact SD-CE1 4.34Å; M166-V210 HydrophobicContact CE-CG2 4Å; M166-V210 HydrophobicContact SD-CB 4.17Å; M166-V210 HydrophobicContact SD-CG1 3.97Å; M166-V210 HydrophobicContact SD-CG2 3.91Å; M166-I216 HydrophobicContact CE-CD1 3.71Å; M166-V244 HydrophobicContact CB-CG1 4.43Å; M166-V244 HydrophobicContact CG-CG1 3.9Å; M166-V244 HydrophobicContact SD-CG1 4.05Å; M166-V244 HydrophobicContact SD-CG2 4.36Å; M166-P355 HydrophobicContact CG-CB 4.17Å; M166-P355 HydrophobicContact CG-CG 4.09Å
167E98.8Very high98Very high1 Ų130.5 Ų30.51%0.00516%0.157CC..Hα-helixtrans-53.8-46.1175.3-72.5173.6162.500111.4T146 K149 V163 M170 K171 L177 P179 L180T146-E167 WeakPolarHBondContact CB-OE2 3.46Å; T146-E167 HydrophobicContact CG2-CB 4.35Å; T146-E167 VanDerWaalsContact CG2-CD 3.41Å; T146-E167 HydrophobicContact CG2-CG 4.21Å; T146-E167 WeakPolarHBondContact CG2-OE2 3.44Å; T146-E167 PolarHBondContact OG1-OE2 3.07Å; K149-E167 IonicContact NZ-OE1 2.86Å; V163-E167 HydrophobicContact CG1-CG 4.01Å; V163-E167 VanDerWaalsContact CG1-OE1 3.32Å; V163-E167 WeakPolarHBondContact CG1-OE1 3.39Å; V163-E167 WeakPolarHBondContact O-CB 3.42Å; V163-E167 VanDerWaalsContact O-CG 3.28Å; V163-E167 WeakPolarHBondContact O-CG 3.4Å; V163-E167 PolarHBondContact O-N 3.08Å; E167-M170 PolarHBondContact O-N 3.3Å; E167-K171 PolarHBondContact O-N 3.32Å; E167-L177 HydrophobicContact CB-CD1 4.16Å; E167-P179 VanDerWaalsContact OE1-CA 3.27Å; E167-P179 WeakPolarHBondContact OE1-CA 3.28Å; E167-L180 HydrophobicContact CG-CB 4.31Å; E167-L180 HydrophobicContact CG-CD1 3.86Å; E167-L180 HydrophobicContact CG-CG 3.79Å; E167-L180 PolarHBondContact OE1-N 2.77Å
168G98.8Very high98Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-64.7-46.1177.600000113.1A144 A164 A165 M166 M170 K171 I172A144-G168 WeakPolarHBondContact O-CA 3.46Å; A164-G168 PolarHBondContact O-N 2.92Å; A165-G168 PolarHBondContact O-N 2.74Å; M166-G168 VanDerWaalsContact C-N 3.27Å; M166-G168 PolarHBondContact O-N 2.78Å; G168-M170 VanDerWaalsContact C-N 3.34Å; G168-M170 PolarHBondContact O-N 2.72Å; G168-K171 PolarHBondContact O-N 3.2Å; G168-I172 WeakPolarHBondContact O-CD1 3.49Å; G168-I172 VanDerWaalsContact O-CG1 3.25Å; G168-I172 WeakPolarHBondContact O-CG1 3.4Å; G168-I172 PolarHBondContact O-N 3.34Å
169L98.6Very high98.2Very high0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-58-47.4174.4174.263.8000111.2A165 M166 K171 I172 R173 V244 P355 V357A165-L169 PolarHBondContact O-N 3Å; M166-L169 PolarHBondContact O-N 2.89Å; L169-K171 PolarHBondContact O-N 3.31Å; L169-I172 WeakPolarHBondContact O-CB 3.05Å; L169-I172 PolarHBondContact O-N 3.05Å; L169-I172 VanDerWaalsContact O-N 3.13Å; L169-R173 HydrophobicContact CD1-CG 3.72Å; L169-R173 HydrophobicContact CG-CG 4.23Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 WeakPolarHBondContact O-CG 2.95Å; L169-R173 PolarHBondContact O-N 3.28Å; L169-V244 HydrophobicContact CD2-CG1 4.13Å; L169-P355 HydrophobicContact CB-CG 4.16Å; L169-P355 HydrophobicContact CD2-CB 3.78Å; L169-P355 HydrophobicContact CD2-CG 3.84Å; L169-V357 HydrophobicContact CD1-CG1 4.3Å; L169-V357 HydrophobicContact CD2-CG1 4.23Å; L169-V357 HydrophobicContact CG-CG1 4.37Å
170M98.3Very high98.3Very high32 Ų3235.5 Ų35.516%0.15819%0.188CC..Hα-helixtrans-60.5-45.2-179.8-71.2-50.2-58.900111.5M166 E167 G168 I172 R173 T174 A242M166-M170 WeakPolarHBondContact O-CB 3.19Å; M166-M170 VanDerWaalsContact O-CG 3.28Å; M166-M170 WeakPolarHBondContact O-CG 3.44Å; M166-M170 PolarHBondContact O-N 2.81Å; E167-M170 PolarHBondContact O-N 3.3Å; G168-M170 VanDerWaalsContact C-N 3.34Å; G168-M170 PolarHBondContact O-N 2.72Å; M170-I172 VanDerWaalsContact C-N 3.3Å; M170-I172 PolarHBondContact O-N 3.46Å; M170-R173 PolarHBondContact O-N 3.34Å; M170-R173 VanDerWaalsContact O-N 3.13Å; M170-T174 HydrophobicContact CE-CG2 3.58Å; M170-T174 PolarHBondContact O-N 3.21Å; M170-T174 PolarHBondContact O-OG1 3.04Å; M170-A242 HydrophobicContact CE-CB 4.37Å; M170-A242 HydrophobicContact CG-CB 3.65Å; M170-A242 HydrophobicContact SD-CB 4.14Å
171K98.4Very high98.3Very high64 Ų6435 Ų3528%0.27819%0.186SC..Hα-helixtrans-57.6-43.6174.3176.259.2165.5-167.90112.3G143 A144 E167 G168 L169 R173 G175 Q176 L177G143-K171 VanDerWaalsContact O-CE 3.31Å; G143-K171 WeakPolarHBondContact O-CE 3.07Å; G143-K171 WeakPolarHBondContact O-CG 3.43Å; A144-K171 HydrophobicContact CB-CB 4Å; A144-K171 HydrophobicContact CB-CG 3.76Å; E167-K171 PolarHBondContact O-N 3.32Å; G168-K171 PolarHBondContact O-N 3.2Å; L169-K171 PolarHBondContact O-N 3.31Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.44Å; K171-G175 VanDerWaalsContact CD-C 3.5Å; K171-G175 VanDerWaalsContact CD-O 3.28Å; K171-G175 WeakPolarHBondContact CD-O 3.45Å; K171-G175 WeakPolarHBondContact CE-O 3.42Å; K171-G175 PolarHBondContact NZ-O 2.61Å; K171-G175 WeakPolarHBondContact O-CA 3.46Å; K171-G175 PolarHBondContact O-N 2.94Å; K171-Q176 VanDerWaalsContact CA-O 3.28Å; K171-Q176 WeakPolarHBondContact CA-O 3.49Å; K171-Q176 PolarHBondContact N-O 2.74Å; K171-L177 HydrophobicContact CB-CB 4.2Å; K171-L177 HydrophobicContact CB-CD1 3.97Å; K171-L177 HydrophobicContact CD-CB 3.97Å; K171-L177 HydrophobicContact CG-CB 4.29Å
172I98Very high98.3Very high63 Ų6335 Ų3532%0.32319%0.186SC..Hα-helixtrans-64.6-34.8179.8-69.4162.9000111.3W139 A144 G168 L169 M170 Q265W139-I172 HydrophobicContact CD2-CD1 4.21Å; W139-I172 HydrophobicContact CE3-CD1 3.85Å; W139-I172 HydrophobicContact CE3-CG1 4.14Å; W139-I172 HydrophobicContact CH2-CD1 3.63Å; W139-I172 HydrophobicContact CH2-CG1 4.11Å; W139-I172 HydrophobicContact CZ2-CD1 4.01Å; W139-I172 HydrophobicContact CZ3-CD1 3.53Å; W139-I172 HydrophobicContact CZ3-CG1 3.66Å; A144-I172 HydrophobicContact CB-CG1 4.29Å; G168-I172 WeakPolarHBondContact O-CD1 3.49Å; G168-I172 VanDerWaalsContact O-CG1 3.25Å; G168-I172 WeakPolarHBondContact O-CG1 3.4Å; G168-I172 PolarHBondContact O-N 3.34Å; L169-I172 WeakPolarHBondContact O-CB 3.05Å; L169-I172 PolarHBondContact O-N 3.05Å; L169-I172 VanDerWaalsContact O-N 3.13Å; M170-I172 VanDerWaalsContact C-N 3.3Å; M170-I172 PolarHBondContact O-N 3.46Å; I172-Q265 HydrophobicContact CD1-CB 3.64Å
173R97.2Very high98.3Very high151 Ų15135 Ų3557%0.5719%0.186SC*.Hα-helixtrans-89.2-37.5-173.5-65.3-71.2-179.8-173.83114L169 M170 K171 V357L169-R173 HydrophobicContact CD1-CG 3.72Å; L169-R173 HydrophobicContact CG-CG 4.23Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 WeakPolarHBondContact O-CG 2.95Å; L169-R173 PolarHBondContact O-N 3.28Å; M170-R173 PolarHBondContact O-N 3.34Å; M170-R173 VanDerWaalsContact O-N 3.13Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.44Å; R173-V357 HydrophobicContact CB-CG1 4.42Å; R173-V357 HydrophobicContact CG-CG1 3.68Å
174T97Very high98.2Very high74 Ų7435.1 Ų35.145%0.45419%0.186SC..Hα-helixtrans-114.7-13.4-172.371.80000113.2M170 Q176M170-T174 HydrophobicContact CE-CG2 3.58Å; M170-T174 PolarHBondContact O-N 3.21Å; M170-T174 PolarHBondContact O-OG1 3.04Å; T174-Q176 PolarHBondContact O-N 3.29Å; T174-Q176 PolarHBondContact OG1-N 3.24Å; T174-Q176 VanDerWaalsContact OG1-N 3.17Å
175G97.4Very high98.1Very high43 Ų4334.7 Ų34.744%0.44318%0.183SC..SBendtrans78.6-3.3-172.200000114.2K171K171-G175 VanDerWaalsContact CD-C 3.5Å; K171-G175 VanDerWaalsContact CD-O 3.28Å; K171-G175 WeakPolarHBondContact CD-O 3.45Å; K171-G175 WeakPolarHBondContact CE-O 3.42Å; K171-G175 PolarHBondContact NZ-O 2.61Å; K171-G175 WeakPolarHBondContact O-CA 3.46Å; K171-G175 PolarHBondContact O-N 2.94Å
176Q97Very high98Very high134 Ų13434.7 Ų34.763%0.62618%0.183SC*.  trans-103.8127.6-179.7-59.8-177.724.200110.9K171 T174K171-Q176 VanDerWaalsContact CA-O 3.28Å; K171-Q176 WeakPolarHBondContact CA-O 3.49Å; K171-Q176 PolarHBondContact N-O 2.74Å; T174-Q176 PolarHBondContact O-N 3.29Å; T174-Q176 PolarHBondContact OG1-N 3.24Å; T174-Q176 VanDerWaalsContact OG1-N 3.17Å
177L98.4Very high97.9Very high56 Ų5635 Ų3529%0.29319%0.185SC..  trans-106.399.2174.4-177.770.8000107.9G143 T146 E167 K171G143-L177 WeakPolarHBondContact O-CD2 3.4Å; T146-L177 HydrophobicContact CG2-CD1 3.89Å; T146-L177 HydrophobicContact CG2-CD2 4.06Å; T146-L177 HydrophobicContact CG2-CG 3.86Å; E167-L177 HydrophobicContact CB-CD1 4.16Å; K171-L177 HydrophobicContact CB-CB 4.2Å; K171-L177 HydrophobicContact CB-CD1 3.97Å; K171-L177 HydrophobicContact CD-CB 3.97Å; K171-L177 HydrophobicContact CG-CB 4.29Å
178T98.2Very high97.7Very high49 Ų4935.2 Ų35.230%0.30119%0.186SC..  trans-107.5124179.4-560000108.9L180 A218 A241T178-L180 HydrophobicContact CG2-CD2 4.5Å; T178-L180 PolarHBondContact O-N 3.3Å; T178-A218 HydrophobicContact CG2-CB 4.16Å; T178-A241 HydrophobicContact CG2-CB 4.18Å
179P98.7Very high97.4Very high55 Ų5535.6 Ų35.636%0.35719%0.188SC..  trans-60.9127.1171.5-22.433.7000111.3T146 E167 A218 E219T146-P179 HydrophobicContact CG2-CB 4.46Å; T146-P179 HydrophobicContact CG2-CG 4.23Å; E167-P179 VanDerWaalsContact OE1-CA 3.27Å; E167-P179 WeakPolarHBondContact OE1-CA 3.28Å; P179-A218 WeakPolarHBondContact O-CA 3.26Å; P179-E219 HydrophobicContact CB-CB 4.03Å; P179-E219 VanDerWaalsContact CB-OE2 3.25Å; P179-E219 WeakPolarHBondContact CB-OE2 3.11Å; P179-E219 PolarHBondContact O-N 3.47Å
180L98.8Very high96.4Very high0 Ų042.1 Ų42.10%022%0.223CC..BIsolated β-bridgetrans-103.6162-177.2-51.2171000111.2K149 V163 M166 E167 T178 E182 I216 A241 A242K149-L180 PolarHBondContact NZ-O 3.47Å; V163-L180 HydrophobicContact CG1-CB 3.9Å; V163-L180 HydrophobicContact CG2-CB 4.48Å; M166-L180 HydrophobicContact CB-CD1 3.92Å; E167-L180 HydrophobicContact CG-CB 4.31Å; E167-L180 HydrophobicContact CG-CD1 3.86Å; E167-L180 HydrophobicContact CG-CG 3.79Å; E167-L180 PolarHBondContact OE1-N 2.77Å; T178-L180 HydrophobicContact CG2-CD2 4.5Å; T178-L180 PolarHBondContact O-N 3.3Å; L180-E182 PolarHBondContact O-N 3.26Å; L180-I216 HydrophobicContact CB-CD1 4.26Å; L180-I216 HydrophobicContact CB-CG2 4.37Å; L180-I216 HydrophobicContact CD1-CG2 3.77Å; L180-I216 HydrophobicContact CD2-CG2 4.2Å; L180-I216 HydrophobicContact CG-CG2 4.32Å; L180-A241 HydrophobicContact CD2-CB 3.99Å; L180-A242 HydrophobicContact CD1-CB 3.77Å; L180-A242 HydrophobicContact CD2-CB 3.64Å; L180-A242 HydrophobicContact CG-CB 4.36Å
181S98.6Very high94.3Very high0 Ų042.6 Ų42.60%024%0.236CC..  trans-82.8107.2-174.2-177.80000113.3Q183 E184 T217 Y222S181-Q183 PolarHBondContact O-N 2.78Å; S181-Q183 PolarHBondContact OG-N 3.41Å; S181-E184 PolarHBondContact OG-N 3.3Å; S181-T217 PolarHBondContact N-O 2.91Å; S181-Y222 VanDerWaalsContact CB-O 3.32Å; S181-Y222 WeakPolarHBondContact CB-O 3.48Å; S181-Y222 WeakPolarHBondContact OG-CB 3.3Å; S181-Y222 PolarHBondContact OG-O 2.97Å
182E98.5Very high92Very high4 Ų443.8 Ų43.82%0.01927%0.266CS..Hα-helixtrans-65.3-29.7164.8-65.584.2179.400112.2K149 A159 F160 V163 L180 L185 V186 Y224K149-E182 WeakPolarHBondContact CD-OE1 3.25Å; K149-E182 WeakPolarHBondContact CE-OE1 3.38Å; K149-E182 IonicContact NZ-OE1 3.8Å; K149-E182 PolarHBondContact NZ-OE1 2.88Å; K149-E182 IonicContact NZ-OE2 3.92Å; K149-E182 PolarHBondContact NZ-OE2 2.71Å; A159-E182 HydrophobicContact CB-CB 4.42Å; F160-E182 HydrophobicContact CB-CG 4.28Å; F160-E182 HydrophobicContact CD1-CG 3.61Å; F160-E182 HydrophobicContact CD2-CB 4.29Å; F160-E182 HydrophobicContact CD2-CG 3.97Å; F160-E182 HydrophobicContact CE1-CB 4.35Å; F160-E182 HydrophobicContact CE1-CG 3.77Å; F160-E182 HydrophobicContact CE2-CB 4.08Å; F160-E182 HydrophobicContact CE2-CG 4.12Å; F160-E182 HydrophobicContact CG-CG 3.71Å; F160-E182 HydrophobicContact CZ-CB 4.12Å; F160-E182 HydrophobicContact CZ-CG 4.03Å; V163-E182 HydrophobicContact CB-CG 4Å; V163-E182 HydrophobicContact CG1-CG 4.28Å; V163-E182 WeakPolarHBondContact CG1-OE1 3.47Å; V163-E182 HydrophobicContact CG2-CG 3.86Å; L180-E182 PolarHBondContact O-N 3.26Å; E182-L185 PolarHBondContact O-N 2.88Å; E182-V186 WeakPolarHBondContact O-CG2 3.3Å; E182-V186 PolarHBondContact O-N 2.75Å; E182-Y224 HydrophobicContact CB-CD2 4.1Å; E182-Y224 HydrophobicContact CB-CE2 4.45Å
183Q98Very high89.8Confident0 Ų042.8 Ų42.80%027%0.272CS..Hα-helixtrans-64.9-40.2-178.4-167.661.843.500112.2S181 L185 V186 D187 Y222 R223 Y224 E225 Y227S181-Q183 PolarHBondContact O-N 2.78Å; S181-Q183 PolarHBondContact OG-N 3.41Å; Q183-L185 VanDerWaalsContact C-N 3.27Å; Q183-L185 PolarHBondContact O-N 2.62Å; Q183-V186 PolarHBondContact O-N 2.63Å; Q183-D187 VanDerWaalsContact NE2-CG 3.32Å; Q183-D187 PolarHBondContact NE2-OD1 3.22Å; Q183-D187 PolarHBondContact NE2-OD2 2.83Å; Q183-D187 WeakPolarHBondContact O-CB 3.4Å; Q183-D187 PolarHBondContact O-N 2.92Å; Q183-Y222 HydrophobicContact CB-CD1 3.74Å; Q183-Y222 HydrophobicContact CB-CE1 3.9Å; Q183-Y222 HydrophobicContact CG-CD1 3.73Å; Q183-Y222 HydrophobicContact CG-CE1 3.43Å; Q183-Y222 VanDerWaalsContact CG-CE1 3.43Å; Q183-R223 VanDerWaalsContact CB-O 3.3Å; Q183-R223 WeakPolarHBondContact CB-O 3.35Å; Q183-R223 WeakPolarHBondContact CG-O 3.43Å; Q183-Y224 HydrophobicContact CB-CD2 4.46Å; Q183-E225 HydrophobicContact CG-CG 4.44Å; Q183-Y227 PolarHBondContact NE2-O 2.99Å
184E97.9Very high88.2Confident1 Ų138.4 Ų38.41%0.00526%0.259CS..Hα-helixtrans-55.8-46.5175.4-177.1-178.2150.800110.4S181 D187 C188 T217 Y222 M236S181-E184 PolarHBondContact OG-N 3.3Å; E184-D187 PolarHBondContact O-N 2.98Å; E184-C188 WeakPolarHBondContact O-CB 3.42Å; E184-C188 PolarHBondContact O-N 3.21Å; E184-C188 PolarHBondContact O-SG 2.83Å; E184-C188 VanDerWaalsContact O-SG 3.35Å; E184-T217 WeakPolarHBondContact OE2-CA 3.43Å; E184-T217 WeakPolarHBondContact OE2-CB 3.29Å; E184-T217 PolarHBondContact OE2-N 3.08Å; E184-T217 PolarHBondContact OE2-OG1 3.27Å; E184-Y222 HydrophobicContact CB-CD2 3.85Å; E184-Y222 HydrophobicContact CB-CE2 3.99Å; E184-Y222 HydrophobicContact CB-CG 4.37Å; E184-Y222 HydrophobicContact CG-CD2 4.24Å; E184-Y222 HydrophobicContact CG-CE2 4.18Å; E184-M236 HydrophobicContact CG-CB 4.3Å; E184-M236 HydrophobicContact CG-CG 4.35Å
185L96.8Very high87Confident0 Ų034.9 Ų34.90%024%0.238CC..Hα-helixtrans-65-45177.7-56.7178.7000111.2W158 A159 A162 V163 M166 E182 Q183 D187 C188 V189 A206 L209 V210 I216W158-L185 HydrophobicContact CH2-CB 4.23Å; W158-L185 WeakPolarHBondContact CH2-O 3.14Å; W158-L185 HydrophobicContact CZ3-CB 4.16Å; A159-L185 HydrophobicContact CB-CB 3.92Å; A159-L185 HydrophobicContact CB-CD1 4.26Å; A162-L185 HydrophobicContact CB-CD1 4.46Å; V163-L185 HydrophobicContact CG2-CD1 3.61Å; M166-L185 HydrophobicContact CE-CD1 4.21Å; E182-L185 PolarHBondContact O-N 2.88Å; Q183-L185 VanDerWaalsContact C-N 3.27Å; Q183-L185 PolarHBondContact O-N 2.62Å; L185-D187 VanDerWaalsContact C-N 3.27Å; L185-D187 PolarHBondContact O-N 3.27Å; L185-C188 PolarHBondContact O-N 3.01Å; L185-V189 HydrophobicContact CB-CG2 4.4Å; L185-V189 WeakPolarHBondContact O-CB 3.38Å; L185-V189 WeakPolarHBondContact O-CG2 3.17Å; L185-V189 PolarHBondContact O-N 2.88Å; L185-A206 HydrophobicContact CD1-CB 4.05Å; L185-A206 HydrophobicContact CD2-CB 4.5Å; L185-L209 HydrophobicContact CD2-CD2 4.11Å; L185-V210 HydrophobicContact CD2-CG2 3.86Å; L185-I216 HydrophobicContact CD1-CD1 3.99Å; L185-I216 HydrophobicContact CD2-CD1 3.94Å; L185-I216 HydrophobicContact CG-CD1 3.91Å
186V95.9Very high86.5Confident0 Ų036.5 Ų36.50%024%0.237CC..Hα-helixtrans-58-38.5178166.20000112.3A159 E182 Q183 G197 Y224 K228A159-V186 HydrophobicContact CB-CG2 4.03Å; E182-V186 WeakPolarHBondContact O-CG2 3.3Å; E182-V186 PolarHBondContact O-N 2.75Å; Q183-V186 PolarHBondContact O-N 2.63Å; V186-G197 WeakPolarHBondContact O-CA 3.25Å; V186-Y224 HydrophobicContact CG2-CE2 4.44Å; V186-K228 HydrophobicContact CG1-CB 4.28Å
187D95.8Very high86.2Confident9 Ų930.2 Ų30.25%0.04821%0.207CC..Hα-helixtrans-85.6-34.4-177.2-69.9-13.1000113.5Q183 E184 L185 Y222 G229 C231Q183-D187 VanDerWaalsContact NE2-CG 3.32Å; Q183-D187 PolarHBondContact NE2-OD1 3.22Å; Q183-D187 PolarHBondContact NE2-OD2 2.83Å; Q183-D187 WeakPolarHBondContact O-CB 3.4Å; Q183-D187 PolarHBondContact O-N 2.92Å; E184-D187 PolarHBondContact O-N 2.98Å; L185-D187 VanDerWaalsContact C-N 3.27Å; L185-D187 PolarHBondContact O-N 3.27Å; D187-Y222 WeakPolarHBondContact CB-OH 3.12Å; D187-Y222 WeakPolarHBondContact OD2-CE1 2.93Å; D187-Y222 PolarHBondContact OD2-OH 2.67Å; D187-G229 WeakPolarHBondContact OD1-CA 3.41Å; D187-G229 PolarHBondContact OD1-N 3.29Å; D187-C231 HydrophobicContact CB-CB 4.44Å
188C95.1Very high86Confident4 Ų429.3 Ų29.33%0.02721%0.206CC..Hα-helixtrans-110.3-14.4-164-60.20000115.3E184 L185 D190 L209 C231 M236E184-C188 WeakPolarHBondContact O-CB 3.42Å; E184-C188 PolarHBondContact O-N 3.21Å; E184-C188 PolarHBondContact O-SG 2.83Å; E184-C188 VanDerWaalsContact O-SG 3.35Å; L185-C188 PolarHBondContact O-N 3.01Å; C188-D190 PolarHBondContact O-N 3.14Å; C188-D190 VanDerWaalsContact O-N 3.11Å; C188-L209 HydrophobicContact CB-CD2 3.79Å; C188-C231 HydrophobicContact CB-CB 3.88Å; C188-C231 WeakPolarHBondContact CB-SG 3.37Å; C188-C231 WeakPolarHBondContact SG-CA 3.28Å; C188-C231 WeakPolarHBondContact SG-CB 3.31Å; C188-C231 CovalentContact SG-SG 2.04Å; C188-C231 PolarHBondContact SG-SG 2.84Å; C188-M236 HydrophobicContact CB-CG 4.43Å; C188-M236 HydrophobicContact CB-SD 3.52Å; C188-M236 VanDerWaalsContact CB-SD 3.52Å
189V92Very high85.6Confident9 Ų929.2 Ų29.26%0.05521%0.214CC..SBendtrans-71.1110170178.60000108W158 L185 G191 A205 L209W158-V189 HydrophobicContact CH2-CB 3.89Å; W158-V189 HydrophobicContact CH2-CG1 4.43Å; W158-V189 HydrophobicContact CH2-CG2 3.84Å; W158-V189 HydrophobicContact CZ3-CB 4.3Å; W158-V189 HydrophobicContact CZ3-CG2 3.87Å; L185-V189 HydrophobicContact CB-CG2 4.4Å; L185-V189 WeakPolarHBondContact O-CB 3.38Å; L185-V189 WeakPolarHBondContact O-CG2 3.17Å; L185-V189 PolarHBondContact O-N 2.88Å; V189-G191 PolarHBondContact O-N 3.01Å; V189-A205 HydrophobicContact CG1-CB 4.09Å; V189-L209 HydrophobicContact CG2-CB 4.05Å; V189-L209 HydrophobicContact CG2-CD2 3.61Å; V189-L209 HydrophobicContact CG2-CG 4.41Å
190D77.9Confident85.2Confident137 Ų13726.7 Ų26.773%0.73320%0.198SC*.  trans-66.3126.3179.5-75.9-35.8000110.7C188 G192C188-D190 PolarHBondContact O-N 3.14Å; C188-D190 VanDerWaalsContact O-N 3.11Å; D190-G192 PolarHBondContact O-N 3.02Å
191G55Low84.8Confident42 Ų4226.7 Ų26.743%0.43320%0.198SC..THydrogen-bonded Turntrans-72.316.6-179.500000115.8V189 G193 S195V189-G191 PolarHBondContact O-N 3.01Å; G191-G193 PolarHBondContact O-N 2.98Å; G191-S195 WeakPolarHBondContact CA-O 3.27Å; G191-S195 PolarHBondContact N-O 3.03Å
192G50Low84.5Confident88 Ų8826.9 Ų26.991%0.90720%0.199SC*.THydrogen-bonded Turntrans-63-14170.100000113.4D190D190-G192 PolarHBondContact O-N 3.02Å
193G51.3Low84.3Confident42 Ų4226.7 Ų26.743%0.43320%0.198SC..SBendtrans-137.386.5167.800000110G191 S195G191-G193 PolarHBondContact O-N 2.98Å; G193-S195 PolarHBondContact O-N 3.47Å
194D64.5Low83.9Confident59 Ų5927.2 Ų27.232%0.31620%0.201SC..SBendtrans56.2-8.3165.1-63.1-39.7000119.5K109 P112 H202K109-D194 HydrophobicContact CD-CB 4.48Å; K109-D194 WeakPolarHBondContact CD-O 3.18Å; K109-D194 WeakPolarHBondContact CE-O 3.28Å; K109-D194 PolarHBondContact NZ-O 3.3Å; P112-D194 WeakPolarHBondContact CD-OD2 3.06Å; D194-H202 VanDerWaalsContact CB-NE2 3.32Å; D194-H202 WeakPolarHBondContact CB-NE2 3.3Å
195S72.2Confident83.6Confident0 Ų028.3 Ų28.30%021%0.21CC..  trans-101.5113-178.2-57.90000112.9G191 G193 G200 G201 H202G191-S195 WeakPolarHBondContact CA-O 3.27Å; G191-S195 PolarHBondContact N-O 3.03Å; G193-S195 PolarHBondContact O-N 3.47Å; S195-G200 CarbonylContact C-O 3.43Å; S195-G200 VanDerWaalsContact CA-O 3.29Å; S195-G200 WeakPolarHBondContact CA-O 3.13Å; S195-G201 WeakPolarHBondContact OG-CA 3.28Å; S195-H202 PolarHBondContact OG-N 3.22Å
196D86.5Confident83.5Confident78 Ų7828.3 Ų28.342%0.41721%0.21SC..  trans-127.757.3-176.1-171.932.1000112.7C198 G199 G200 K228D196-C198 PolarHBondContact O-N 3.26Å; D196-G199 WeakPolarHBondContact O-CA 3.48Å; D196-G199 PolarHBondContact O-N 2.83Å; D196-G200 PolarHBondContact N-O 3.05Å; D196-K228 WeakPolarHBondContact OD1-CD 2.98Å; D196-K228 IonicContact OD1-NZ 2.91Å; D196-K228 PolarHBondContact OD1-NZ 3.25Å
197G91.1Very high83.4Confident1 Ų128.3 Ų28.31%0.0121%0.21CC..G310 helixtrans53.3-109.617900000112.3W158 V186 G200W158-G197 PolarHBondContact NE1-O 3.26Å; V186-G197 WeakPolarHBondContact O-CA 3.25Å; G197-G200 PolarHBondContact O-N 3.34Å
198C92.5Very high83.2Confident38 Ų3829.5 Ų29.526%0.25722%0.215SC..G310 helixtrans-76.9-16.2176.8-59.20000115.2C154 G155 D196 G200 Y227C154-C198 HydrophobicContact CB-CB 3.89Å; C154-C198 WeakPolarHBondContact CB-SG 3.19Å; C154-C198 WeakPolarHBondContact SG-CA 3.22Å; C154-C198 WeakPolarHBondContact SG-CB 3.34Å; C154-C198 CovalentContact SG-SG 2.03Å; C154-C198 PolarHBondContact SG-SG 3.07Å; G155-C198 VanDerWaalsContact CA-O 3.26Å; G155-C198 WeakPolarHBondContact CA-O 3.37Å; G155-C198 PolarHBondContact N-O 3.31Å; G155-C198 VanDerWaalsContact N-O 3.08Å; D196-C198 PolarHBondContact O-N 3.26Å; C198-G200 PolarHBondContact O-N 3.12Å; C198-Y227 WeakPolarHBondContact SG-CA 3.49Å
199G90.1Very high83.2Confident47 Ų4730 Ų3049%0.48522%0.218SC..G310 helixtrans-73-2.1171.300000113.3K109 D196K109-G199 WeakPolarHBondContact CE-O 3.37Å; D196-G199 WeakPolarHBondContact O-CA 3.48Å; D196-G199 PolarHBondContact O-N 2.83Å
200G90.4Very high83.3Confident1 Ų129.7 Ų29.71%0.0122%0.216CC..  trans99.3166.8177.500000114.3G107 G155 S195 D196 G197 C198G107-G200 CarbonylContact O-C 3.53Å; G107-G200 WeakPolarHBondContact O-CA 3.4Å; G155-G200 WeakPolarHBondContact O-CA 3.36Å; S195-G200 CarbonylContact C-O 3.43Å; S195-G200 VanDerWaalsContact CA-O 3.29Å; S195-G200 WeakPolarHBondContact CA-O 3.13Å; D196-G200 PolarHBondContact N-O 3.05Å; G197-G200 PolarHBondContact O-N 3.34Å; C198-G200 PolarHBondContact O-N 3.12Å
201G91.1Very high84.1Confident0 Ų025 Ų250%019%0.192CC..BIsolated β-bridgetrans-178.1-163.3-17500000114.4G107 W158 S195G107-G201 PolarHBondContact O-N 2.79Å; W158-G201 WeakPolarHBondContact CB-O 3.33Å; W158-G201 VanDerWaalsContact CG-C 3.49Å; S195-G201 WeakPolarHBondContact OG-CA 3.28Å
202H91.7Very high85.9Confident5 Ų527.9 Ų27.92%0.02320%0.198CC..  trans-128.9136.5-169.2-62.3-78.6000112K109 D194 S195 D204 A205 A206K109-H202 PolarHBondContact O-CE1 2.78Å; D194-H202 VanDerWaalsContact CB-NE2 3.32Å; D194-H202 WeakPolarHBondContact CB-NE2 3.3Å; S195-H202 PolarHBondContact OG-N 3.22Å; H202-D204 VanDerWaalsContact C-N 3.33Å; H202-D204 WeakPolarHBondContact CB-OD1 3.43Å; H202-D204 PolarHBondContact O-N 3.35Å; H202-A205 HydrophobicContact CB-CB 4.22Å; H202-A205 PolarHBondContact O-N 2.89Å; H202-A206 PolarHBondContact O-N 3.27Å
203T93.5Very high88Confident0 Ų027.4 Ų27.40%017%0.171CC..Hα-helixtrans-65.2-34.4-179.3570000112.8W158 A161 A162 A206 F207 T268 Y270 A300W158-T203 HydrophobicContact CB-CG2 4.39Å; W158-T203 VanDerWaalsContact O-CG2 3.28Å; W158-T203 WeakPolarHBondContact O-CG2 3.2Å; A161-T203 HydrophobicContact CB-CG2 3.94Å; A162-T203 HydrophobicContact CB-CG2 4.47Å; T203-A206 VanDerWaalsContact O-CB 3.25Å; T203-A206 WeakPolarHBondContact O-CB 3.32Å; T203-A206 PolarHBondContact O-N 2.79Å; T203-F207 WeakPolarHBondContact O-CD2 3.42Å; T203-F207 WeakPolarHBondContact O-CG 3.39Å; T203-F207 PolarHBondContact O-N 3.07Å; T203-T268 HydrophobicContact CG2-CG2 3.98Å; T203-T268 PolarHBondContact OG1-OG1 3.38Å; T203-T268 VanDerWaalsContact OG1-OG1 3.13Å; T203-Y270 HydrophobicContact CG2-CE1 3.93Å; T203-Y270 PolarHBondContact N-OH 3.44Å; T203-Y270 PolarHBondContact OG1-OH 3.07Å; T203-A300 HydrophobicContact CG2-CB 4.19Å
204D91.7Very high90.1Very high10 Ų1026.5 Ų26.55%0.05316%0.161CC..Hα-helixtrans-65.4-44.5174.848.1-63.8000112.3H116 H202 A206 F207 Q208 Y247 Y270 F353H116-D204 IonicContact CE1-OD2 3.04Å; H202-D204 VanDerWaalsContact C-N 3.33Å; H202-D204 WeakPolarHBondContact CB-OD1 3.43Å; H202-D204 PolarHBondContact O-N 3.35Å; D204-A206 PolarHBondContact O-N 2.95Å; D204-F207 PolarHBondContact O-N 3.37Å; D204-F207 VanDerWaalsContact O-N 3.13Å; D204-Q208 WeakPolarHBondContact O-CB 3.23Å; D204-Q208 PolarHBondContact O-N 3.07Å; D204-Y247 HydrophobicContact CB-CD2 4.18Å; D204-Y247 HydrophobicContact CB-CE2 3.57Å; D204-Y270 PolarHBondContact OD1-OH 3.46Å; D204-F353 HydrophobicContact CB-CD1 4.22Å; D204-F353 HydrophobicContact CB-CE1 4.02Å; D204-F353 HydrophobicContact CB-CE2 4.36Å; D204-F353 HydrophobicContact CB-CG 4.46Å; D204-F353 HydrophobicContact CB-CZ 4.1Å
205A91.4Very high91.7Very high25 Ų2523.7 Ų23.721%0.20715%0.146CC..Hα-helixtrans-60.1-36.1172.200000112V189 H202 Q208 L209V189-A205 HydrophobicContact CG1-CB 4.09Å; H202-A205 HydrophobicContact CB-CB 4.22Å; H202-A205 PolarHBondContact O-N 2.89Å; A205-Q208 PolarHBondContact O-N 2.78Å; A205-L209 PolarHBondContact O-N 3.02Å
206A93.6Very high93Very high0 Ų023.7 Ų23.70%015%0.146CC..Hα-helixtrans-64.4-45.2174.500000111.7W158 A162 L185 H202 T203 D204 V210W158-A206 HydrophobicContact CE3-CB 3.84Å; W158-A206 HydrophobicContact CZ3-CB 3.65Å; A162-A206 HydrophobicContact CB-CB 3.71Å; L185-A206 HydrophobicContact CD1-CB 4.05Å; L185-A206 HydrophobicContact CD2-CB 4.5Å; H202-A206 PolarHBondContact O-N 3.27Å; T203-A206 VanDerWaalsContact O-CB 3.25Å; T203-A206 WeakPolarHBondContact O-CB 3.32Å; T203-A206 PolarHBondContact O-N 2.79Å; D204-A206 PolarHBondContact O-N 2.95Å; A206-V210 WeakPolarHBondContact O-CG2 3.49Å; A206-V210 PolarHBondContact O-N 2.82Å
207F94.2Very high93.5Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-63-43.4173.8-62.7-44.5000111.9A162 A165 M166 T203 D204 L209 V210 V211 Y247 T268 F353 P355A162-F207 HydrophobicContact CB-CD1 4.22Å; A162-F207 HydrophobicContact CB-CE1 3.74Å; A162-F207 HydrophobicContact CB-CZ 4.04Å; A165-F207 HydrophobicContact CB-CE1 4.39Å; A165-F207 HydrophobicContact CB-CZ 4.08Å; M166-F207 HydrophobicContact CG-CD1 3.99Å; M166-F207 HydrophobicContact CG-CE1 3.77Å; M166-F207 HydrophobicContact SD-CD1 4.03Å; M166-F207 HydrophobicContact SD-CE1 4.34Å; T203-F207 WeakPolarHBondContact O-CD2 3.42Å; T203-F207 WeakPolarHBondContact O-CG 3.39Å; T203-F207 PolarHBondContact O-N 3.07Å; D204-F207 PolarHBondContact O-N 3.37Å; D204-F207 VanDerWaalsContact O-N 3.13Å; F207-L209 VanDerWaalsContact C-N 3.33Å; F207-L209 PolarHBondContact O-N 2.87Å; F207-V210 PolarHBondContact O-N 2.99Å; F207-V210 VanDerWaalsContact O-N 3.12Å; F207-V211 WeakPolarHBondContact O-CG2 3.26Å; F207-V211 PolarHBondContact O-N 3Å; F207-Y247 HydrophobicContact CB-CD1 3.44Å; F207-Y247 VanDerWaalsContact CB-CD1 3.44Å; F207-Y247 HydrophobicContact CB-CD2 4.36Å; F207-Y247 HydrophobicContact CB-CE1 4.09Å; F207-Y247 HydrophobicContact CB-CG 3.6Å; F207-Y247 HydrophobicContact CD2-CD2 4.17Å; F207-Y247 AromaticContact CD2-CG 3.94Å; F207-Y247 HydrophobicContact CD2-CG 3.94Å; F207-Y247 HydrophobicContact CG-CD1 4.44Å; F207-Y247 HydrophobicContact CG-CG 4.15Å; F207-T268 HydrophobicContact CE2-CG2 4.12Å; F207-T268 HydrophobicContact CZ-CG2 3.69Å; F207-F353 HydrophobicContact CD2-CB 4.47Å; F207-F353 HydrophobicContact CE2-CB 3.94Å; F207-P355 HydrophobicContact CD1-CB 4.14Å; F207-P355 HydrophobicContact CE1-CB 4.01Å; F207-P355 HydrophobicContact CE1-CG 4.02Å; F207-P355 HydrophobicContact CZ-CB 4.49Å; F207-P355 HydrophobicContact CZ-CG 4.31Å
208Q92.4Very high93.9Very high33 Ų3320.5 Ų20.515%0.15413%0.131CC..Hα-helixtrans-58.8-43.7179.5-172.462.159.500111.6D204 A205 V210 V211 D212 Y247D204-Q208 WeakPolarHBondContact O-CB 3.23Å; D204-Q208 PolarHBondContact O-N 3.07Å; A205-Q208 PolarHBondContact O-N 2.78Å; Q208-V210 VanDerWaalsContact C-N 3.33Å; Q208-V210 PolarHBondContact O-N 3.24Å; Q208-V211 PolarHBondContact O-N 3.32Å; Q208-D212 PolarHBondContact NE2-OD1 3.3Å; Q208-D212 WeakPolarHBondContact O-CB 3.34Å; Q208-D212 VanDerWaalsContact O-CG 3.24Å; Q208-D212 PolarHBondContact O-N 3.15Å; Q208-Y247 HydrophobicContact CB-CE1 3.91Å; Q208-Y247 PolarHBondContact OE1-OH 3.33Å; Q208-Y247 VanDerWaalsContact OE1-OH 3.12Å
209L93.4Very high94.2Very high16 Ų1621.6 Ų21.68%0.08413%0.132CC..Hα-helixtrans-57.2-47.7174.8-179.173.5000111.3L185 C188 V189 A205 F207 V211 D212 K213 M236L185-L209 HydrophobicContact CD2-CD2 4.11Å; C188-L209 HydrophobicContact CB-CD2 3.79Å; V189-L209 HydrophobicContact CG2-CB 4.05Å; V189-L209 HydrophobicContact CG2-CD2 3.61Å; V189-L209 HydrophobicContact CG2-CG 4.41Å; A205-L209 PolarHBondContact O-N 3.02Å; F207-L209 VanDerWaalsContact C-N 3.33Å; F207-L209 PolarHBondContact O-N 2.87Å; L209-V211 VanDerWaalsContact C-N 3.29Å; L209-V211 PolarHBondContact O-N 2.88Å; L209-D212 PolarHBondContact O-N 2.98Å; L209-K213 HydrophobicContact CD1-CD 4.43Å; L209-K213 HydrophobicContact CD1-CG 3.78Å; L209-K213 HydrophobicContact CG-CG 4.18Å; L209-K213 WeakPolarHBondContact O-CB 3.31Å; L209-K213 VanDerWaalsContact O-CG 3.3Å; L209-K213 WeakPolarHBondContact O-CG 3.29Å; L209-K213 PolarHBondContact O-N 3.19Å; L209-M236 HydrophobicContact CD1-SD 4.18Å
210V95.7Very high94.5Very high1 Ų122.8 Ų22.81%0.00613%0.132CC..Hα-helixtrans-63.2-37.6-179.6178.70000111.4M166 L185 A206 F207 Q208 G214 G215 I216 V244M166-V210 HydrophobicContact CE-CG2 4Å; M166-V210 HydrophobicContact SD-CB 4.17Å; M166-V210 HydrophobicContact SD-CG1 3.97Å; M166-V210 HydrophobicContact SD-CG2 3.91Å; L185-V210 HydrophobicContact CD2-CG2 3.86Å; A206-V210 WeakPolarHBondContact O-CG2 3.49Å; A206-V210 PolarHBondContact O-N 2.82Å; F207-V210 PolarHBondContact O-N 2.99Å; F207-V210 VanDerWaalsContact O-N 3.12Å; Q208-V210 VanDerWaalsContact C-N 3.33Å; Q208-V210 PolarHBondContact O-N 3.24Å; V210-G214 CarbonylContact O-C 3.58Å; V210-G214 WeakPolarHBondContact O-CA 2.8Å; V210-G214 PolarHBondContact O-N 3.02Å; V210-G215 PolarHBondContact O-N 3.4Å; V210-I216 HydrophobicContact CG1-CB 4.09Å; V210-I216 HydrophobicContact CG1-CG2 4.16Å; V210-I216 HydrophobicContact CG2-CB 3.89Å; V210-I216 HydrophobicContact CG2-CD1 4.16Å; V210-I216 HydrophobicContact CG2-CG1 4.41Å; V210-I216 HydrophobicContact CG2-CG2 4.49Å; V210-V244 HydrophobicContact CB-CG2 4.23Å; V210-V244 HydrophobicContact CG1-CG2 3.79Å
211V94.1Very high94.9Very high40 Ų4027.9 Ų27.924%0.24216%0.156CC..Hα-helixtrans-63.5-51.6173.5173.80000110.4F207 Q208 L209 K213 G214 V244F207-V211 WeakPolarHBondContact O-CG2 3.26Å; F207-V211 PolarHBondContact O-N 3Å; Q208-V211 PolarHBondContact O-N 3.32Å; L209-V211 VanDerWaalsContact C-N 3.29Å; L209-V211 PolarHBondContact O-N 2.88Å; V211-K213 PolarHBondContact O-N 3.46Å; V211-G214 PolarHBondContact O-N 3.23Å; V211-G214 VanDerWaalsContact O-N 3.17Å; V211-V244 HydrophobicContact CG2-CG2 3.9Å
212D93.2Very high95.2Very high102 Ų10227.9 Ų27.955%0.54516%0.156SC..Hα-helixtrans-64.8-37.1-175.4-72.4-13.8000113.2Q208 L209 G214Q208-D212 PolarHBondContact NE2-OD1 3.3Å; Q208-D212 WeakPolarHBondContact O-CB 3.34Å; Q208-D212 VanDerWaalsContact O-CG 3.24Å; Q208-D212 PolarHBondContact O-N 3.15Å; L209-D212 PolarHBondContact O-N 2.98Å; D212-G214 VanDerWaalsContact C-N 3.35Å
213K94.5Very high95.5Very high78 Ų7836.2 Ų36.234%0.33919%0.187SC..Hα-helixtrans-89.6-7.3179.2-53.3-49.1175.9-167.20112.5L209 V211 G215 M236 L237 H240L209-K213 HydrophobicContact CD1-CD 4.43Å; L209-K213 HydrophobicContact CD1-CG 3.78Å; L209-K213 HydrophobicContact CG-CG 4.18Å; L209-K213 WeakPolarHBondContact O-CB 3.31Å; L209-K213 VanDerWaalsContact O-CG 3.3Å; L209-K213 WeakPolarHBondContact O-CG 3.29Å; L209-K213 PolarHBondContact O-N 3.19Å; V211-K213 PolarHBondContact O-N 3.46Å; K213-G215 VanDerWaalsContact C-N 3.34Å; K213-M236 HydrophobicContact CB-CG 4.31Å; K213-M236 HydrophobicContact CD-CE 4.01Å; K213-M236 HydrophobicContact CD-SD 4.37Å; K213-M236 HydrophobicContact CG-CE 4.12Å; K213-M236 HydrophobicContact CG-CG 4.06Å; K213-M236 HydrophobicContact CG-SD 3.89Å; K213-L237 HydrophobicContact CD-CD2 3.99Å; K213-H240 PolarHBondContact O-CE1 2.86Å; K213-H240 PolarHBondContact O-NE2 3.45Å
214G95Very high95.8Very high23 Ų2338.7 Ų38.724%0.23720%0.197CC..THydrogen-bonded Turntrans82.25.2175.100000114.6V210 V211 D212 R243V210-G214 CarbonylContact O-C 3.58Å; V210-G214 WeakPolarHBondContact O-CA 2.8Å; V210-G214 PolarHBondContact O-N 3.02Å; V211-G214 PolarHBondContact O-N 3.23Å; V211-G214 VanDerWaalsContact O-N 3.17Å; D212-G214 VanDerWaalsContact C-N 3.35Å; G214-R243 WeakPolarHBondContact O-CD 3.31Å; G214-R243 WeakPolarHBondContact O-CG 3.37Å; G214-R243 PolarHBondContact O-NH1 3.34Å
215G97.4Very high96Very high0 Ų041.8 Ų41.80%021%0.211CC..  trans167-174.1175.500000113.7V210 K213 H240 A242V210-G215 PolarHBondContact O-N 3.4Å; K213-G215 VanDerWaalsContact C-N 3.34Å; G215-H240 VanDerWaalsContact CA-ND1 3.33Å; G215-H240 WeakPolarHBondContact CA-ND1 3.42Å; G215-H240 PolarHBondContact O-ND1 2.89Å; G215-A242 CarbonylContact C-O 3.58Å; G215-A242 WeakPolarHBondContact CA-O 3.48Å
216I98.5Very high96.2Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-140.9144.1-179.6-173.7173.6000110.1V163 M166 L180 L185 V210 H240 A241 A242V163-I216 HydrophobicContact CG2-CD1 4Å; M166-I216 HydrophobicContact CE-CD1 3.71Å; L180-I216 HydrophobicContact CB-CD1 4.26Å; L180-I216 HydrophobicContact CB-CG2 4.37Å; L180-I216 HydrophobicContact CD1-CG2 3.77Å; L180-I216 HydrophobicContact CD2-CG2 4.2Å; L180-I216 HydrophobicContact CG-CG2 4.32Å; L185-I216 HydrophobicContact CD1-CD1 3.99Å; L185-I216 HydrophobicContact CD2-CD1 3.94Å; L185-I216 HydrophobicContact CG-CD1 3.91Å; V210-I216 HydrophobicContact CG1-CB 4.09Å; V210-I216 HydrophobicContact CG1-CG2 4.16Å; V210-I216 HydrophobicContact CG2-CB 3.89Å; V210-I216 HydrophobicContact CG2-CD1 4.16Å; V210-I216 HydrophobicContact CG2-CG1 4.41Å; V210-I216 HydrophobicContact CG2-CG2 4.49Å; I216-H240 CarbonylContact O-C 3.59Å; I216-H240 WeakPolarHBondContact O-CA 3.2Å; I216-A241 PolarHBondContact O-N 3.27Å; I216-A242 HydrophobicContact CG2-CB 3.94Å; I216-A242 PolarHBondContact N-O 3.04Å; I216-A242 PolarHBondContact O-N 3.38Å
217T98.4Very high96.3Very high0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-76155.2-177.2-48.10000112.1S181 E184 E221 D235 N239S181-T217 PolarHBondContact N-O 2.91Å; E184-T217 WeakPolarHBondContact OE2-CA 3.43Å; E184-T217 WeakPolarHBondContact OE2-CB 3.29Å; E184-T217 PolarHBondContact OE2-N 3.08Å; E184-T217 PolarHBondContact OE2-OG1 3.27Å; T217-E221 HydrophobicContact CG2-CB 3.77Å; T217-E221 HydrophobicContact CG2-CG 4.48Å; T217-D235 PolarHBondContact OG1-O 3.38Å; T217-N239 WeakPolarHBondContact CA-O 3.34Å; T217-N239 HydrophobicContact CG2-CB 4.22Å; T217-N239 WeakPolarHBondContact CG2-O 3.32Å; T217-N239 PolarHBondContact OG1-O 3.47Å
218A98.5Very high96.2Very high12 Ų1251.6 Ų51.610%0.09925%0.254CS..BIsolated β-bridgetrans-69.5149.3170.600000111.7T178 P179 S220 E221 Y222 A241T178-A218 HydrophobicContact CG2-CB 4.16Å; P179-A218 WeakPolarHBondContact O-CA 3.26Å; A218-S220 PolarHBondContact O-N 3.34Å; A218-E221 PolarHBondContact O-N 2.95Å; A218-Y222 PolarHBondContact O-N 3.19Å; A218-Y222 VanDerWaalsContact O-N 3.14Å; A218-A241 HydrophobicContact CB-CB 3.71Å
219E98.4Very high96.3Very high61 Ų6151.1 Ų51.129%0.28526%0.259SS..THydrogen-bonded Turntrans-57.8-31.1174.3-175.4-179.1179.100112.4K149 P179 E221 Y222 R223K149-E219 WeakPolarHBondContact CE-OE2 3.19Å; K149-E219 IonicContact NZ-OE1 2.79Å; K149-E219 IonicContact NZ-OE2 2.97Å; K149-E219 PolarHBondContact NZ-OE2 2.59Å; P179-E219 HydrophobicContact CB-CB 4.03Å; P179-E219 VanDerWaalsContact CB-OE2 3.25Å; P179-E219 WeakPolarHBondContact CB-OE2 3.11Å; P179-E219 PolarHBondContact O-N 3.47Å; E219-E221 VanDerWaalsContact C-N 3.28Å; E219-E221 PolarHBondContact O-N 3.46Å; E219-Y222 CarbonylContact O-C 3.4Å; E219-R223 WeakPolarHBondContact O-CA 3.16Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.09Å
220S97.8Very high96.3Very high71 Ų7161 Ų6150%0.49730%0.295SS..THydrogen-bonded Turntrans-63.6-33.7-178.860.30000113.3A218A218-S220 PolarHBondContact O-N 3.34Å
221E98Very high96.3Very high109 Ų10962.2 Ų62.251%0.50930%0.303SS..THydrogen-bonded Turntrans-92.7-35.2-177.3-51.2-49122.100111.5T217 A218 E219T217-E221 HydrophobicContact CG2-CB 3.77Å; T217-E221 HydrophobicContact CG2-CG 4.48Å; A218-E221 PolarHBondContact O-N 2.95Å; E219-E221 VanDerWaalsContact C-N 3.28Å; E219-E221 PolarHBondContact O-N 3.46Å
222Y98.1Very high96.4Very high0 Ų064.3 Ų64.30%031%0.307CS..SBendtrans-124.680.9179.3-156.1-26.6000110.2S181 Q183 E184 D187 A218 E219 R232 D235S181-Y222 VanDerWaalsContact CB-O 3.32Å; S181-Y222 WeakPolarHBondContact CB-O 3.48Å; S181-Y222 WeakPolarHBondContact OG-CB 3.3Å; S181-Y222 PolarHBondContact OG-O 2.97Å; Q183-Y222 HydrophobicContact CB-CD1 3.74Å; Q183-Y222 HydrophobicContact CB-CE1 3.9Å; Q183-Y222 HydrophobicContact CG-CD1 3.73Å; Q183-Y222 HydrophobicContact CG-CE1 3.43Å; Q183-Y222 VanDerWaalsContact CG-CE1 3.43Å; E184-Y222 HydrophobicContact CB-CD2 3.85Å; E184-Y222 HydrophobicContact CB-CE2 3.99Å; E184-Y222 HydrophobicContact CB-CG 4.37Å; E184-Y222 HydrophobicContact CG-CD2 4.24Å; E184-Y222 HydrophobicContact CG-CE2 4.18Å; D187-Y222 WeakPolarHBondContact CB-OH 3.12Å; D187-Y222 WeakPolarHBondContact OD2-CE1 2.93Å; D187-Y222 PolarHBondContact OD2-OH 2.67Å; A218-Y222 PolarHBondContact O-N 3.19Å; A218-Y222 VanDerWaalsContact O-N 3.14Å; E219-Y222 CarbonylContact O-C 3.4Å; Y222-R232 HydrophobicContact CD2-CB 4.33Å; Y222-R232 HydrophobicContact CE1-CG 4.16Å; Y222-R232 VanDerWaalsContact CE1-CZ 3.41Å; Y222-R232 VanDerWaalsContact CE1-NE 3.31Å; Y222-R232 HydrophobicContact CE2-CB 3.52Å; Y222-R232 HydrophobicContact CE2-CG 3.86Å; Y222-R232 VanDerWaalsContact CZ-CD 3.4Å; Y222-R232 WeakPolarHBondContact OH-CG 3.12Å; Y222-R232 PolarHBondContact OH-N 2.77Å; Y222-D235 HydrophobicContact CD2-CB 3.87Å; Y222-D235 HydrophobicContact CE2-CB 4.31Å
223R98Very high96.4Very high179 Ų17962.6 Ų62.668%0.67530%0.299SS*.  trans-70.2149.8-173.3-67.1-177.3-174.5165.62.1113.2Q183 E219Q183-R223 VanDerWaalsContact CB-O 3.3Å; Q183-R223 WeakPolarHBondContact CB-O 3.35Å; Q183-R223 WeakPolarHBondContact CG-O 3.43Å; E219-R223 WeakPolarHBondContact O-CA 3.16Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.09Å
224Y98.5Very high96.4Very high53 Ų5364.6 Ų64.621%0.20831%0.314CS..  trans-68.8132.3172.8-168.3-109.4000112.8Q151 S156 F160 E182 Q183 V186Q151-Y224 PolarHBondContact O-OH 3.38Å; S156-Y224 PolarHBondContact OG-OH 2.81Å; F160-Y224 HydrophobicContact CE2-CD2 4.19Å; F160-Y224 HydrophobicContact CE2-CE1 4.21Å; F160-Y224 AromaticContact CE2-CE2 3.53Å; F160-Y224 HydrophobicContact CE2-CE2 3.53Å; F160-Y224 AromaticContact CE2-CZ 3.54Å; F160-Y224 HydrophobicContact CZ-CD1 4.03Å; F160-Y224 AromaticContact CZ-CD2 3.89Å; F160-Y224 HydrophobicContact CZ-CD2 3.89Å; F160-Y224 AromaticContact CZ-CE1 3.79Å; F160-Y224 HydrophobicContact CZ-CE1 3.79Å; F160-Y224 AromaticContact CZ-CE2 3.63Å; F160-Y224 HydrophobicContact CZ-CE2 3.63Å; F160-Y224 HydrophobicContact CZ-CG 4.07Å; F160-Y224 AromaticContact CZ-CZ 3.58Å; E182-Y224 HydrophobicContact CB-CD2 4.1Å; E182-Y224 HydrophobicContact CB-CE2 4.45Å; Q183-Y224 HydrophobicContact CB-CD2 4.46Å; V186-Y224 HydrophobicContact CG2-CE2 4.44Å
225E97.5Very high96.4Very high75 Ų7565.4 Ų65.435%0.3531%0.313SS..  trans-119.8-14-176.1-54.1-170.8166.300112.9Q183 Y227 R232Q183-E225 HydrophobicContact CG-CG 4.44Å; E225-Y227 VanDerWaalsContact C-N 3.34Å; E225-Y227 HydrophobicContact CB-CD1 3.94Å; E225-Y227 HydrophobicContact CB-CE1 3.53Å; E225-Y227 WeakPolarHBondContact O-CD1 3.27Å; E225-Y227 PolarHBondContact OE2-OH 2.75Å; E225-R232 IonicContact OE1-CZ 3.87Å; E225-R232 IonicContact OE1-NH2 3.87Å; E225-R232 PolarHBondContact OE1-NH2 3.35Å; E225-R232 IonicContact OE2-NH2 2.89Å
226G95.5Very high96.2Very high27 Ų2766 Ų6628%0.27832%0.316SS..SBendtrans76.916.417600000115C154C154-G226 WeakPolarHBondContact CB-O 3.32Å
227Y94.8Very high96Very high125 Ų12569 Ų6949%0.4933%0.332SS..SBendtrans-147.6162.7171.366.5-86.2000110Q183 C198 E225 G229Q183-Y227 PolarHBondContact NE2-O 2.99Å; C198-Y227 WeakPolarHBondContact SG-CA 3.49Å; E225-Y227 VanDerWaalsContact C-N 3.34Å; E225-Y227 HydrophobicContact CB-CD1 3.94Å; E225-Y227 HydrophobicContact CB-CE1 3.53Å; E225-Y227 WeakPolarHBondContact O-CD1 3.27Å; E225-Y227 PolarHBondContact OE2-OH 2.75Å; Y227-G229 PolarHBondContact O-N 3.12Å
228K93Very high95.9Very high78 Ų7876.6 Ų76.634%0.33937%0.365SS..  trans-80.3110.3172.2-178.3169.9178.9172.50110V186 D196V186-K228 HydrophobicContact CG1-CB 4.28Å; D196-K228 WeakPolarHBondContact OD1-CD 2.98Å; D196-K228 IonicContact OD1-NZ 2.91Å; D196-K228 PolarHBondContact OD1-NZ 3.25Å
229G93.6Very high95.8Very high24 Ų2478.9 Ų78.925%0.24738%0.376CS..  trans-92.1-162.2172.600000112.3D187 Y227D187-G229 WeakPolarHBondContact OD1-CA 3.41Å; D187-G229 PolarHBondContact OD1-N 3.29Å; Y227-G229 PolarHBondContact O-N 3.12Å
230R93.7Very high95.7Very high224 Ų22477.9 Ų77.985%0.84537%0.371SS*.  trans-84.2132.7168.7179.7-176.9176.7-169.5-1.7108.5R232R230-R232 PolarHBondContact O-N 3.48Å; R230-R232 VanDerWaalsContact O-N 3.17Å
231C94.9Very high95.7Very high26 Ų2676.6 Ų76.618%0.17636%0.364CS..  trans-52.9120.2170.1-178.70000111.7D187 C188 V233 M236D187-C231 HydrophobicContact CB-CB 4.44Å; C188-C231 HydrophobicContact CB-CB 3.88Å; C188-C231 WeakPolarHBondContact CB-SG 3.37Å; C188-C231 WeakPolarHBondContact SG-CA 3.28Å; C188-C231 WeakPolarHBondContact SG-CB 3.31Å; C188-C231 CovalentContact SG-SG 2.04Å; C188-C231 PolarHBondContact SG-SG 2.84Å; C231-V233 VanDerWaalsContact C-N 3.3Å; C231-V233 HydrophobicContact CB-CG2 4.45Å; C231-V233 PolarHBondContact O-N 2.04Å; C231-M236 VanDerWaalsContact SG-SD 3.69Å
232R96Very high95.7Very high84 Ų8471.7 Ų71.732%0.31734%0.342SS..  trans-79.983.7170.9-56.2169-160.6175.22.7108.2Y222 E225 R230 D234 D235 M236Y222-R232 HydrophobicContact CD2-CB 4.33Å; Y222-R232 HydrophobicContact CE1-CG 4.16Å; Y222-R232 VanDerWaalsContact CE1-CZ 3.41Å; Y222-R232 VanDerWaalsContact CE1-NE 3.31Å; Y222-R232 HydrophobicContact CE2-CB 3.52Å; Y222-R232 HydrophobicContact CE2-CG 3.86Å; Y222-R232 VanDerWaalsContact CZ-CD 3.4Å; Y222-R232 WeakPolarHBondContact OH-CG 3.12Å; Y222-R232 PolarHBondContact OH-N 2.77Å; E225-R232 IonicContact OE1-CZ 3.87Å; E225-R232 IonicContact OE1-NH2 3.87Å; E225-R232 PolarHBondContact OE1-NH2 3.35Å; E225-R232 IonicContact OE2-NH2 2.89Å; R230-R232 PolarHBondContact O-N 3.48Å; R230-R232 VanDerWaalsContact O-N 3.17Å; R232-D234 PolarHBondContact O-N 3.14Å; R232-D235 HydrophobicContact CB-CB 4.27Å; R232-D235 WeakPolarHBondContact CB-OD2 3.46Å; R232-D235 PolarHBondContact O-N 2.87Å; R232-D235 VanDerWaalsContact O-N 3.14Å; R232-M236 PolarHBondContact O-N 3.29Å; R232-M236 VanDerWaalsContact O-N 3.07Å
233V94Very high95.6Very high65 Ų6578.8 Ų78.839%0.39437%0.369SS..Hα-helixtrans-57.9-35.6-171.8177.70000112.5C231 M236 L237C231-V233 VanDerWaalsContact C-N 3.3Å; C231-V233 HydrophobicContact CB-CG2 4.45Å; C231-V233 PolarHBondContact O-N 2.04Å; V233-M236 HydrophobicContact CG1-CE 4.23Å; V233-M236 PolarHBondContact O-N 3.39Å; V233-L237 HydrophobicContact CG1-CD1 3.48Å; V233-L237 VanDerWaalsContact CG1-CD1 3.48Å; V233-L237 HydrophobicContact CG1-CG 3.92Å; V233-L237 WeakPolarHBondContact O-CB 3.28Å; V233-L237 VanDerWaalsContact O-CG 3.29Å; V233-L237 WeakPolarHBondContact O-CG 3.4Å; V233-L237 PolarHBondContact O-N 2.88Å
234D95.3Very high95.5Very high121 Ų12170.7 Ų70.765%0.64734%0.34SS*.Hα-helixtrans-65.2-41.6179.1-66-25.2000112R232 F238R232-D234 PolarHBondContact O-N 3.14Å; D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 WeakPolarHBondContact O-CD2 3.47Å; D234-F238 PolarHBondContact O-N 3.31Å
235D94.5Very high95.2Very high40 Ų4070 Ų7021%0.21435%0.349CS..Hα-helixtrans-63.6-51.2173.7-71.2-59.3000110.5T217 Y222 R232 L237 F238 N239T217-D235 PolarHBondContact OG1-O 3.38Å; Y222-D235 HydrophobicContact CD2-CB 3.87Å; Y222-D235 HydrophobicContact CE2-CB 4.31Å; R232-D235 HydrophobicContact CB-CB 4.27Å; R232-D235 WeakPolarHBondContact CB-OD2 3.46Å; R232-D235 PolarHBondContact O-N 2.87Å; R232-D235 VanDerWaalsContact O-N 3.14Å; D235-L237 VanDerWaalsContact C-N 3.26Å; D235-L237 PolarHBondContact O-N 2.93Å; D235-F238 PolarHBondContact O-N 2.95Å; D235-N239 HydrophobicContact CB-CB 4.38Å; D235-N239 WeakPolarHBondContact O-CB 3.3Å; D235-N239 PolarHBondContact O-N 3.48Å; D235-N239 PolarHBondContact OD1-ND2 3.05Å; D235-N239 VanDerWaalsContact OD1-ND2 3.16Å
236M93.8Very high95Very high11 Ų1166.5 Ų66.55%0.05433%0.332CS..Hα-helixtrans-57.9-34.3-179.7-177.1-165.265.500113E184 C188 L209 K213 C231 R232 V233 H240E184-M236 HydrophobicContact CG-CB 4.3Å; E184-M236 HydrophobicContact CG-CG 4.35Å; C188-M236 HydrophobicContact CB-CG 4.43Å; C188-M236 HydrophobicContact CB-SD 3.52Å; C188-M236 VanDerWaalsContact CB-SD 3.52Å; L209-M236 HydrophobicContact CD1-SD 4.18Å; K213-M236 HydrophobicContact CB-CG 4.31Å; K213-M236 HydrophobicContact CD-CE 4.01Å; K213-M236 HydrophobicContact CD-SD 4.37Å; K213-M236 HydrophobicContact CG-CE 4.12Å; K213-M236 HydrophobicContact CG-CG 4.06Å; K213-M236 HydrophobicContact CG-SD 3.89Å; C231-M236 VanDerWaalsContact SG-SD 3.69Å; R232-M236 PolarHBondContact O-N 3.29Å; R232-M236 VanDerWaalsContact O-N 3.07Å; V233-M236 HydrophobicContact CG1-CE 4.23Å; V233-M236 PolarHBondContact O-N 3.39Å; M236-H240 PolarHBondContact O-CE1 3.02Å
237L94.5Very high95Very high65 Ų6565.6 Ų65.634%0.3432%0.321SS..Hα-helixtrans-93.6-24.4-176.6-69-178.2000114.4K213 V233 D235 H240K213-L237 HydrophobicContact CD-CD2 3.99Å; V233-L237 HydrophobicContact CG1-CD1 3.48Å; V233-L237 VanDerWaalsContact CG1-CD1 3.48Å; V233-L237 HydrophobicContact CG1-CG 3.92Å; V233-L237 WeakPolarHBondContact O-CB 3.28Å; V233-L237 VanDerWaalsContact O-CG 3.29Å; V233-L237 WeakPolarHBondContact O-CG 3.4Å; V233-L237 PolarHBondContact O-N 2.88Å; D235-L237 VanDerWaalsContact C-N 3.26Å; D235-L237 PolarHBondContact O-N 2.93Å; L237-H240 PolarHBondContact O-NE2 3.33Å
238F95Very high94.9Very high158 Ų15864 Ų6469%0.69331%0.314SS*.Hα-helixtrans-131.5-14.5-167-52.9-64.6000114.7D234 D235D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 WeakPolarHBondContact O-CD2 3.47Å; D234-F238 PolarHBondContact O-N 3.31Å; D235-F238 PolarHBondContact O-N 2.95Å
239N96.4Very high94.9Very high61 Ų6160.7 Ų60.733%0.32630%0.301SS..  trans-110.147.1-172.7-164.610.7000113.6T217 D235 A241T217-N239 WeakPolarHBondContact CA-O 3.34Å; T217-N239 HydrophobicContact CG2-CB 4.22Å; T217-N239 WeakPolarHBondContact CG2-O 3.32Å; T217-N239 PolarHBondContact OG1-O 3.47Å; D235-N239 HydrophobicContact CB-CB 4.38Å; D235-N239 WeakPolarHBondContact O-CB 3.3Å; D235-N239 PolarHBondContact O-N 3.48Å; D235-N239 PolarHBondContact OD1-ND2 3.05Å; D235-N239 VanDerWaalsContact OD1-ND2 3.16Å; N239-A241 PolarHBondContact O-N 3.24Å
240H97.5Very high94.9Very high39 Ų3959.7 Ų59.718%0.18129%0.29CS..EExtended strand (participates in β ladder)trans-78128.2-174.1-47.5-66000113.7K213 G215 I216 M236 L237 R243K213-H240 PolarHBondContact O-CE1 2.86Å; K213-H240 PolarHBondContact O-NE2 3.45Å; G215-H240 VanDerWaalsContact CA-ND1 3.33Å; G215-H240 WeakPolarHBondContact CA-ND1 3.42Å; G215-H240 PolarHBondContact O-ND1 2.89Å; I216-H240 CarbonylContact O-C 3.59Å; I216-H240 WeakPolarHBondContact O-CA 3.2Å; M236-H240 PolarHBondContact O-CE1 3.02Å; L237-H240 PolarHBondContact O-NE2 3.33Å; H240-R243 PolarHBondContact CD2-NH2 3.14Å
241A97.7Very high94.8Very high44 Ų4450 Ų5036%0.36426%0.257SS..EExtended strand (participates in β ladder)trans-95.1-22.4170.300000113.2T178 L180 I216 A218 N239T178-A241 HydrophobicContact CG2-CB 4.18Å; L180-A241 HydrophobicContact CD2-CB 3.99Å; I216-A241 PolarHBondContact O-N 3.27Å; A218-A241 HydrophobicContact CB-CB 3.71Å; N239-A241 PolarHBondContact O-N 3.24Å
242A97.5Very high94.6Very high6 Ų652.3 Ų52.35%0.0527%0.271CS..EExtended strand (participates in β ladder)trans-145.1158.6177.800000111.4M170 L180 G215 I216M170-A242 HydrophobicContact CE-CB 4.37Å; M170-A242 HydrophobicContact CG-CB 3.65Å; M170-A242 HydrophobicContact SD-CB 4.14Å; L180-A242 HydrophobicContact CD1-CB 3.77Å; L180-A242 HydrophobicContact CD2-CB 3.64Å; L180-A242 HydrophobicContact CG-CB 4.36Å; G215-A242 CarbonylContact C-O 3.58Å; G215-A242 WeakPolarHBondContact CA-O 3.48Å; I216-A242 HydrophobicContact CG2-CB 3.94Å; I216-A242 PolarHBondContact N-O 3.04Å; I216-A242 PolarHBondContact O-N 3.38Å
243R96.9Very high94.3Very high149 Ų14951 Ų5156%0.56228%0.278SS*.  trans-140.3141.5177.2-50.6-171.6177.2-112.25.1109.4G214 H240G214-R243 WeakPolarHBondContact O-CD 3.31Å; G214-R243 WeakPolarHBondContact O-CG 3.37Å; G214-R243 PolarHBondContact O-NH1 3.34Å; H240-R243 PolarHBondContact CD2-NH2 3.14Å
244V95.1Very high94.3Very high10 Ų1050.8 Ų50.86%0.06128%0.275CS..  trans-121.4142.9170.3-590000108.2M166 L169 V210 V211 P355 T356M166-V244 HydrophobicContact CB-CG1 4.43Å; M166-V244 HydrophobicContact CG-CG1 3.9Å; M166-V244 HydrophobicContact SD-CG1 4.05Å; M166-V244 HydrophobicContact SD-CG2 4.36Å; L169-V244 HydrophobicContact CD2-CG1 4.13Å; V210-V244 HydrophobicContact CB-CG2 4.23Å; V210-V244 HydrophobicContact CG1-CG2 3.79Å; V211-V244 HydrophobicContact CG2-CG2 3.9Å; V244-P355 HydrophobicContact CB-CB 4.31Å; V244-P355 HydrophobicContact CG1-CB 3.92Å; V244-T356 CarbonylContact C-O 3.48Å
245G92.3Very high94.3Very high38 Ų3846 Ų4639%0.39225%0.249SC..SBendtrans-83.7-18.2179.700000113.3T356 V357G245-T356 PolarHBondContact N-O 3.09Å; G245-V357 WeakPolarHBondContact CA-OXT 3.39Å
246G93.9Very high94.3Very high1 Ų151.8 Ų51.81%0.0127%0.268CS..EExtended strand (participates in β ladder)trans179.7-165.3-179.700000111.8T356G246-T356 WeakPolarHBondContact CA-OG1 3.42Å; G246-T356 PolarHBondContact N-O 3.4Å; G246-T356 PolarHBondContact O-N 3.29Å; G246-T356 PolarHBondContact O-OG1 3.06Å
247Y94Very high94.4Very high9 Ų952.2 Ų52.24%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-151.6163.1169.661.3-81.4000110E123 D204 F207 Q208 F353 Y354 T356E123-Y247 VanDerWaalsContact CD-OH 3.29Å; E123-Y247 HydrophobicContact CG-CE2 3.59Å; E123-Y247 WeakPolarHBondContact CG-OH 3.5Å; E123-Y247 PolarHBondContact OE1-OH 3.29Å; E123-Y247 VanDerWaalsContact OE1-OH 3.12Å; D204-Y247 HydrophobicContact CB-CD2 4.18Å; D204-Y247 HydrophobicContact CB-CE2 3.57Å; F207-Y247 HydrophobicContact CB-CD1 3.44Å; F207-Y247 VanDerWaalsContact CB-CD1 3.44Å; F207-Y247 HydrophobicContact CB-CD2 4.36Å; F207-Y247 HydrophobicContact CB-CE1 4.09Å; F207-Y247 HydrophobicContact CB-CG 3.6Å; F207-Y247 HydrophobicContact CD2-CD2 4.17Å; F207-Y247 AromaticContact CD2-CG 3.94Å; F207-Y247 HydrophobicContact CD2-CG 3.94Å; F207-Y247 HydrophobicContact CG-CD1 4.44Å; F207-Y247 HydrophobicContact CG-CG 4.15Å; Q208-Y247 HydrophobicContact CB-CE1 3.91Å; Q208-Y247 PolarHBondContact OE1-OH 3.33Å; Q208-Y247 VanDerWaalsContact OE1-OH 3.12Å; Y247-F353 HydrophobicContact CD2-CD1 4.1Å; Y247-F353 HydrophobicContact CE2-CD1 4.46Å; Y247-Y354 CarbonylContact C-O 3.41Å; Y247-Y354 VanDerWaalsContact CA-O 3.31Å; Y247-Y354 WeakPolarHBondContact CA-O 3.44Å; Y247-T356 PolarHBondContact N-OG1 3.48Å
248R93.4Very high94.6Very high90 Ų9049.2 Ų49.234%0.3425%0.253SS..EExtended strand (participates in β ladder)trans-139.7142.1-178.2-67-176.6-176-1722.6111.8F353 Y354 T356R248-F353 WeakPolarHBondContact O-CA 3.47Å; R248-Y354 HydrophobicContact CB-CE1 3.9Å; R248-Y354 HydrophobicContact CB-CE2 4.08Å; R248-Y354 WeakPolarHBondContact CD-OH 3.32Å; R248-Y354 PolarHBondContact N-O 3.21Å; R248-Y354 PolarHBondContact O-N 3.36Å; R248-T356 HydrophobicContact CB-CG2 4.48Å; R248-T356 HydrophobicContact CG-CG2 3.88Å
249A93.5Very high94.7Very high9 Ų941.7 Ų41.77%0.07422%0.22CC..EExtended strand (participates in β ladder)trans-76.9137.5165.700000110.7E123 P125 F353E123-A249 WeakPolarHBondContact O-CB 3.33Å; E123-A249 PolarHBondContact O-N 3.14Å; P125-A249 HydrophobicContact CB-CB 4.35Å; P125-A249 HydrophobicContact CG-CB 4.03Å; A249-F353 HydrophobicContact CB-CD1 3.87Å; A249-F353 HydrophobicContact CB-CE1 3.6Å; A249-F353 HydrophobicContact CB-CZ 4.31Å
250V93.4Very high94.8Very high3 Ų339 Ų392%0.01821%0.206CC..PPolyproline II helixtrans-76.3140.6164-179.60000108.2Q257 L258 A261 V267 P352 Y354V250-Q257 HydrophobicContact CG1-CB 3.99Å; V250-L258 HydrophobicContact CG1-CB 4.2Å; V250-L258 HydrophobicContact CG1-CD1 4.4Å; V250-L258 HydrophobicContact CG2-CD1 4.26Å; V250-A261 HydrophobicContact CG2-CB 3.85Å; V250-V267 HydrophobicContact CG2-CG1 4.24Å; V250-P352 HydrophobicContact CB-CB 4.04Å; V250-P352 HydrophobicContact CB-CG 3.88Å; V250-P352 HydrophobicContact CG1-CG 4.36Å; V250-P352 HydrophobicContact CG2-CB 4.08Å; V250-P352 HydrophobicContact CG2-CG 4.45Å; V250-P352 PolarHBondContact N-O 3.19Å; V250-Y354 HydrophobicContact CG2-CD1 3.73Å; V250-Y354 HydrophobicContact CG2-CE1 3.81Å
251P92Very high94.8Very high22 Ų2237.2 Ų37.214%0.14320%0.198CC..PPolyproline II helixtrans-47.5124.1170.8-30.237.4000111.6R126 Q257R126-P251 VanDerWaalsContact O-CD 3.3Å; R126-P251 WeakPolarHBondContact O-CD 3.3Å; R126-P251 WeakPolarHBondContact O-CG 3.36Å; P251-Q257 HydrophobicContact CB-CB 4.44Å; P251-Q257 HydrophobicContact CB-CG 4.4Å; P251-Q257 HydrophobicContact CG-CB 4.32Å; P251-Q257 HydrophobicContact CG-CG 4.26Å
252P91.2Very high94.8Very high73 Ų7335.1 Ų35.147%0.47418%0.181SC..THydrogen-bonded Turntrans-68.1157.2-178.931.3-37.1000110.1D254 A349 V350P252-D254 PolarHBondContact O-N 2.93Å; P252-A349 WeakPolarHBondContact CA-O 3.34Å; P252-V350 VanDerWaalsContact CB-O 3.3Å; P252-V350 WeakPolarHBondContact CB-O 3.49Å
253A89.6Confident94.8Very high57 Ų5735.3 Ų35.347%0.47118%0.183SC..THydrogen-bonded Turntrans58.426.9178.400000115.9P342 A349A253-P342 WeakPolarHBondContact CA-O 3.45Å; A253-P342 HydrophobicContact CB-CB 3.85Å; A253-P342 WeakPolarHBondContact CB-O 3.33Å; A253-A349 PolarHBondContact N-O 3.17Å
254D92.5Very high94.8Very high60 Ų6033 Ų3332%0.32117%0.174SC..  trans-135.290.1178.2-167.7-29.8000110.9P252 R256 Q257 L258P252-D254 PolarHBondContact O-N 2.93Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 WeakPolarHBondContact OD1-CA 3.41Å; D254-R256 VanDerWaalsContact OD1-CB 3.28Å; D254-R256 WeakPolarHBondContact OD1-CB 3.46Å; D254-R256 PolarHBondContact OD1-N 2.65Å; D254-Q257 HydrophobicContact CB-CB 4.03Å; D254-Q257 HydrophobicContact CB-CG 3.95Å; D254-Q257 PolarHBondContact O-N 2.93Å; D254-Q257 PolarHBondContact OD1-N 3.41Å; D254-Q257 WeakPolarHBondContact OD2-CG 3.38Å; D254-L258 PolarHBondContact O-N 3.29Å
255E96.3Very high95Very high21 Ų2133.2 Ų33.210%0.09817%0.174CC..Hα-helixtrans-64-19.9176.8-77.7-154.8-174.500113.4A259 W317 K337 D338 G344 A349E255-A259 VanDerWaalsContact O-CB 3.26Å; E255-A259 WeakPolarHBondContact O-CB 3.46Å; E255-A259 PolarHBondContact O-N 2.83Å; E255-W317 HydrophobicContact CB-CZ2 4.11Å; E255-W317 HydrophobicContact CG-CZ2 4.17Å; E255-W317 PolarHBondContact OE2-NE1 3.43Å; E255-K337 WeakPolarHBondContact OE2-CG 3.38Å; E255-D338 WeakPolarHBondContact OE2-CA 3.13Å; E255-D338 PolarHBondContact OE2-N 3.43Å; E255-G344 WeakPolarHBondContact OE1-CA 3.4Å; E255-A349 HydrophobicContact CG-CB 4.07Å
256R95Very high95.3Very high162 Ų16231.4 Ų31.461%0.61116%0.155SC*.Hα-helixtrans-74.5-41.5175.4-177-179.9178.8-125.70110.5M133 D254 L258 A259 T260M133-R256 HydrophobicContact CE-CG 4.43Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 WeakPolarHBondContact OD1-CA 3.41Å; D254-R256 VanDerWaalsContact OD1-CB 3.28Å; D254-R256 WeakPolarHBondContact OD1-CB 3.46Å; D254-R256 PolarHBondContact OD1-N 2.65Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-A259 PolarHBondContact O-N 2.89Å; R256-T260 WeakPolarHBondContact O-CB 3.41Å; R256-T260 PolarHBondContact O-N 3.31Å; R256-T260 PolarHBondContact O-OG1 3.39Å
257Q95.8Very high95.5Very high20 Ų2031.3 Ų31.39%0.09316%0.155CC..Hα-helixtrans-65.7-39.9172.8-66-70.183.200111.1V250 P251 D254 T260 A261V250-Q257 HydrophobicContact CG1-CB 3.99Å; P251-Q257 HydrophobicContact CB-CB 4.44Å; P251-Q257 HydrophobicContact CB-CG 4.4Å; P251-Q257 HydrophobicContact CG-CB 4.32Å; P251-Q257 HydrophobicContact CG-CG 4.26Å; D254-Q257 HydrophobicContact CB-CB 4.03Å; D254-Q257 HydrophobicContact CB-CG 3.95Å; D254-Q257 PolarHBondContact O-N 2.93Å; D254-Q257 PolarHBondContact OD1-N 3.41Å; D254-Q257 WeakPolarHBondContact OD2-CG 3.38Å; Q257-T260 WeakPolarHBondContact O-CB 3.43Å; Q257-T260 PolarHBondContact O-N 3.5Å; Q257-A261 PolarHBondContact O-N 3.09Å
258L97.2Very high95.7Very high1 Ų130.9 Ų30.91%0.00515%0.153CC..Hα-helixtrans-61.1-44.2172.6-17453.7000112.1V250 D254 R256 T260 A261 V262 V267 L303 W317 L348 A349 P352V250-L258 HydrophobicContact CG1-CB 4.2Å; V250-L258 HydrophobicContact CG1-CD1 4.4Å; V250-L258 HydrophobicContact CG2-CD1 4.26Å; D254-L258 PolarHBondContact O-N 3.29Å; R256-L258 VanDerWaalsContact C-N 3.33Å; L258-T260 VanDerWaalsContact C-N 3.27Å; L258-T260 PolarHBondContact O-N 3.15Å; L258-A261 PolarHBondContact O-N 3.42Å; L258-V262 HydrophobicContact CD1-CG2 4.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.31Å; L258-V262 PolarHBondContact O-N 2.99Å; L258-V267 HydrophobicContact CD1-CG1 3.87Å; L258-L303 HydrophobicContact CD1-CD1 3.92Å; L258-L303 HydrophobicContact CD2-CD1 3.79Å; L258-L303 HydrophobicContact CG-CD1 3.96Å; L258-W317 HydrophobicContact CB-CH2 4.07Å; L258-W317 HydrophobicContact CB-CZ2 4.46Å; L258-W317 HydrophobicContact CD2-CH2 4.19Å; L258-W317 HydrophobicContact CD2-CZ2 4.08Å; L258-W317 HydrophobicContact CG-CH2 3.82Å; L258-W317 HydrophobicContact CG-CZ2 4.22Å; L258-W317 HydrophobicContact CG-CZ3 4.29Å; L258-L348 HydrophobicContact CD2-CD1 3.37Å; L258-A349 HydrophobicContact CD2-CB 4.49Å; L258-P352 HydrophobicContact CD1-CB 3.54Å; L258-P352 HydrophobicContact CD1-CG 3.79Å; L258-P352 HydrophobicContact CD2-CG 4.23Å
259A97.9Very high95.9Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-64.3-36.5177.600000111.3M133 E255 R256 V262 A263 Y306 W317M133-A259 HydrophobicContact SD-CB 4.07Å; E255-A259 VanDerWaalsContact O-CB 3.26Å; E255-A259 WeakPolarHBondContact O-CB 3.46Å; E255-A259 PolarHBondContact O-N 2.83Å; R256-A259 PolarHBondContact O-N 2.89Å; A259-V262 PolarHBondContact O-N 2.86Å; A259-A263 WeakPolarHBondContact O-CB 3.14Å; A259-A263 PolarHBondContact O-N 3.11Å; A259-Y306 HydrophobicContact CB-CD1 4.49Å; A259-Y306 HydrophobicContact CB-CE1 4.1Å; A259-Y306 WeakPolarHBondContact O-CE1 3.08Å; A259-W317 HydrophobicContact CB-CH2 3.73Å; A259-W317 HydrophobicContact CB-CZ3 4.25Å
260T97.4Very high96Very high4 Ų426.8 Ų26.83%0.02514%0.136CC..Hα-helixtrans-64.8-41.1175.6-54.70000111V128 D129 I131 M133 R256 Q257 L258 R264V128-T260 HydrophobicContact CB-CG2 4.03Å; V128-T260 HydrophobicContact CG1-CG2 3.56Å; D129-T260 WeakPolarHBondContact O-CG2 3.33Å; I131-T260 HydrophobicContact CG1-CG2 4.25Å; M133-T260 PolarHBondContact SD-OG1 2.79Å; R256-T260 WeakPolarHBondContact O-CB 3.41Å; R256-T260 PolarHBondContact O-N 3.31Å; R256-T260 PolarHBondContact O-OG1 3.39Å; Q257-T260 WeakPolarHBondContact O-CB 3.43Å; Q257-T260 PolarHBondContact O-N 3.5Å; L258-T260 VanDerWaalsContact C-N 3.27Å; L258-T260 PolarHBondContact O-N 3.15Å; T260-R264 WeakPolarHBondContact O-CG 3.36Å
261A97.5Very high96.1Very high2 Ų226.7 Ų26.72%0.01714%0.135CC..Hα-helixtrans-66.1-48.8174.200000111.9V128 V250 Q257 L258 A263 R264 Q265 V267 Y354V128-A261 HydrophobicContact CG2-CB 4.24Å; V250-A261 HydrophobicContact CG2-CB 3.85Å; Q257-A261 PolarHBondContact O-N 3.09Å; L258-A261 PolarHBondContact O-N 3.42Å; A261-A263 PolarHBondContact O-N 3.47Å; A261-R264 WeakPolarHBondContact O-CB 3.41Å; A261-R264 PolarHBondContact O-N 3.49Å; A261-Q265 PolarHBondContact O-N 2.9Å; A261-V267 HydrophobicContact CB-CG2 3.84Å; A261-Y354 HydrophobicContact CB-CD1 4.19Å; A261-Y354 HydrophobicContact CB-CE1 4.27Å
262V98.4Very high96.3Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-61.7-32.5178.7174.60000111.8I137 W139 L258 A259 R264 Q265 V267 L303 Y306 W317I137-V262 HydrophobicContact CG2-CG1 4.43Å; W139-V262 PolarHBondContact NE1-O 3.33Å; L258-V262 HydrophobicContact CD1-CG2 4.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.31Å; L258-V262 PolarHBondContact O-N 2.99Å; A259-V262 PolarHBondContact O-N 2.86Å; V262-R264 PolarHBondContact O-N 3.4Å; V262-Q265 CarbonylContact C-O 3.5Å; V262-Q265 VanDerWaalsContact CA-O 3.27Å; V262-Q265 WeakPolarHBondContact CA-O 3.26Å; V262-Q265 VanDerWaalsContact O-O 3.13Å; V262-V267 HydrophobicContact CB-CG2 4.39Å; V262-V267 HydrophobicContact CG2-CB 3.93Å; V262-V267 HydrophobicContact CG2-CG2 3.66Å; V262-L303 HydrophobicContact CG2-CB 3.74Å; V262-L303 HydrophobicContact CG2-CD1 3.99Å; V262-Y306 HydrophobicContact CB-CD1 4.17Å; V262-Y306 HydrophobicContact CB-CE1 4.3Å; V262-Y306 HydrophobicContact CG1-CD1 3.78Å; V262-Y306 HydrophobicContact CG1-CE1 4.18Å; V262-W317 HydrophobicContact CB-CZ3 4.19Å; V262-W317 HydrophobicContact CG1-CZ3 4.48Å; V262-W317 HydrophobicContact CG2-CE3 4.48Å; V262-W317 HydrophobicContact CG2-CZ3 3.97Å
263A98Very high96.5Very high10 Ų1023.3 Ų23.38%0.08311%0.112CC..THydrogen-bonded Turntrans-66.1-18.4174.800000113.6I131 I137 A259 A261 Y306I131-A263 HydrophobicContact CD1-CB 3.8Å; I137-A263 VanDerWaalsContact CD1-O 3.26Å; I137-A263 WeakPolarHBondContact CD1-O 3.42Å; A259-A263 WeakPolarHBondContact O-CB 3.14Å; A259-A263 PolarHBondContact O-N 3.11Å; A261-A263 PolarHBondContact O-N 3.47Å; A263-Y306 HydrophobicContact CB-CE1 4.27Å
264R97Very high96.7Very high102 Ų10222.3 Ų22.339%0.38510%0.101SC..THydrogen-bonded Turntrans-97.4-33179.2-66.7173174.1-90.113.4113.1D129 I131 W139 T260 A261 V262D129-R264 PolarHBondContact O-NH2 2.81Å; I131-R264 HydrophobicContact CD1-CG 3.92Å; W139-R264 WeakPolarHBondContact CH2-O 3.49Å; W139-R264 VanDerWaalsContact CZ2-O 3.31Å; W139-R264 WeakPolarHBondContact CZ2-O 3.38Å; T260-R264 WeakPolarHBondContact O-CG 3.36Å; A261-R264 WeakPolarHBondContact O-CB 3.41Å; A261-R264 PolarHBondContact O-N 3.49Å; V262-R264 PolarHBondContact O-N 3.4Å
265Q98.1Very high96.7Very high13 Ų1320.6 Ų20.66%0.06110%0.098CC..SBendtrans-171.3170.5-177.957.1-173.683.300111.1I172 A261 V262 P355I172-Q265 HydrophobicContact CD1-CB 3.64Å; A261-Q265 PolarHBondContact O-N 2.9Å; V262-Q265 CarbonylContact C-O 3.5Å; V262-Q265 VanDerWaalsContact CA-O 3.27Å; V262-Q265 WeakPolarHBondContact CA-O 3.26Å; V262-Q265 VanDerWaalsContact O-O 3.13Å; Q265-P355 PolarHBondContact NE2-O 2.94Å
266P98.7Very high96.7Very high0 Ų021.9 Ų21.90%011%0.109CC..  trans-62.3146.3168-2638.2000113.6W139 T302 L303 V304W139-P266 HydrophobicContact CB-CG 4.19Å; W139-P266 HydrophobicContact CG-CG 4Å; P266-T302 HydrophobicContact CB-CG2 3.69Å; P266-L303 VanDerWaalsContact CA-O 3.25Å; P266-L303 WeakPolarHBondContact CA-O 3.25Å; P266-V304 HydrophobicContact CB-CG1 4.35Å
267V98.6Very high96.7Very high0 Ų015.1 Ų15.10%09%0.087CC..EExtended strand (participates in β ladder)trans-133138-172.9-176.70000109.3V250 L258 A261 V262 T302 L303 P352 F353V250-V267 HydrophobicContact CG2-CG1 4.24Å; L258-V267 HydrophobicContact CD1-CG1 3.87Å; A261-V267 HydrophobicContact CB-CG2 3.84Å; V262-V267 HydrophobicContact CB-CG2 4.39Å; V262-V267 HydrophobicContact CG2-CB 3.93Å; V262-V267 HydrophobicContact CG2-CG2 3.66Å; V267-T302 CarbonylContact O-C 2.96Å; V267-T302 WeakPolarHBondContact O-CA 3.36Å; V267-L303 PolarHBondContact N-O 3.04Å; V267-L303 PolarHBondContact O-N 2.95Å; V267-P352 HydrophobicContact CG1-CB 4.01Å; V267-F353 CarbonylContact C-O 3.59Å; V267-F353 VanDerWaalsContact CG1-O 3.22Å; V267-F353 WeakPolarHBondContact CG1-O 3.32Å
268T98.3Very high96.7Very high0 Ų014.3 Ų14.30%08%0.083CC..EExtended strand (participates in β ladder)trans-76.6146.817369.20000110.5A161 A165 T203 F207 V301 P352 F353A161-T268 HydrophobicContact CB-CG2 4.22Å; A161-T268 WeakPolarHBondContact O-CG2 3.25Å; A165-T268 HydrophobicContact CB-CG2 3.86Å; T203-T268 HydrophobicContact CG2-CG2 3.98Å; T203-T268 PolarHBondContact OG1-OG1 3.38Å; T203-T268 VanDerWaalsContact OG1-OG1 3.13Å; F207-T268 HydrophobicContact CE2-CG2 4.12Å; F207-T268 HydrophobicContact CZ-CG2 3.69Å; T268-V301 WeakPolarHBondContact CA-O 3.45Å; T268-P352 WeakPolarHBondContact O-CA 3.43Å; T268-P352 WeakPolarHBondContact O-CB 3.5Å; T268-F353 PolarHBondContact N-O 3.3Å; T268-F353 PolarHBondContact O-N 3.15Å; T268-F353 PolarHBondContact OG1-N 3.33Å; T268-F353 PolarHBondContact OG1-O 3.49Å; T268-F353 VanDerWaalsContact OG1-O 3.14Å
269A96.9Very high96.7Very high0 Ų014.2 Ų14.20%08%0.083CC..EExtended strand (participates in β ladder)trans-144.1148.9171.600000109.6A300 V301 L303 L348A269-A300 WeakPolarHBondContact O-CA 3.21Å; A269-V301 HydrophobicContact CB-CG2 4.39Å; A269-V301 PolarHBondContact N-O 2.84Å; A269-V301 PolarHBondContact O-N 3.27Å; A269-L303 HydrophobicContact CB-CD1 4.16Å; A269-L303 HydrophobicContact CB-CD2 4.38Å; A269-L303 HydrophobicContact CB-CG 4.02Å; A269-L348 HydrophobicContact CB-CB 4.2Å
270Y95.9Very high96.8Very high13 Ų1314.2 Ų14.25%0.0518%0.083CC..EExtended strand (participates in β ladder)trans-97.5136.4170.4-54.6-58000110.1V108 T203 D204 H299 A300 G347 L348 F353V108-Y270 HydrophobicContact CB-CD1 4.19Å; V108-Y270 HydrophobicContact CB-CE1 4.45Å; V108-Y270 HydrophobicContact CG1-CD1 3.61Å; V108-Y270 HydrophobicContact CG1-CE1 3.75Å; V108-Y270 HydrophobicContact CG1-CG 4.02Å; V108-Y270 HydrophobicContact CG2-CD1 3.54Å; V108-Y270 HydrophobicContact CG2-CE1 3.79Å; T203-Y270 HydrophobicContact CG2-CE1 3.93Å; T203-Y270 PolarHBondContact N-OH 3.44Å; T203-Y270 PolarHBondContact OG1-OH 3.07Å; D204-Y270 PolarHBondContact OD1-OH 3.46Å; Y270-H299 CarbonylContact C-O 3.49Å; Y270-H299 VanDerWaalsContact CA-O 3.31Å; Y270-H299 WeakPolarHBondContact CA-O 3.45Å; Y270-A300 HydrophobicContact CD1-CB 3.76Å; Y270-A300 HydrophobicContact CE1-CB 3.9Å; Y270-G347 CarbonylContact O-C 3.51Å; Y270-L348 WeakPolarHBondContact O-CA 3.44Å; Y270-L348 PolarHBondContact O-N 3.41Å; Y270-F353 HydrophobicContact CE2-CE2 4.39Å
271V96Very high96.8Very high0 Ų014.1 Ų14.10%08%0.082CC..EExtended strand (participates in β ladder)trans-127.6147.1180-64.90000110.8A273 F278 P297 N298 H299 V301 L335 C346 L348V271-A273 PolarHBondContact O-N 3.18Å; V271-F278 HydrophobicContact CG2-CE2 4.28Å; V271-F278 HydrophobicContact CG2-CZ 3.89Å; V271-P297 WeakPolarHBondContact O-CA 3.29Å; V271-N298 PolarHBondContact O-N 3.26Å; V271-N298 VanDerWaalsContact O-N 3.07Å; V271-N298 PolarHBondContact O-OD1 2.84Å; V271-H299 HydrophobicContact CG2-CB 4.23Å; V271-H299 PolarHBondContact N-O 2.89Å; V271-H299 PolarHBondContact O-N 3.34Å; V271-V301 HydrophobicContact CG1-CG2 3.9Å; V271-V301 HydrophobicContact CG2-CG1 4.03Å; V271-V301 HydrophobicContact CG2-CG2 4.25Å; V271-L335 HydrophobicContact CG1-CD1 3.95Å; V271-C346 CarbonylContact C-O 3.53Å; V271-C346 WeakPolarHBondContact CA-O 3.41Å; V271-C346 HydrophobicContact CB-CB 3.93Å; V271-C346 HydrophobicContact CG1-CB 4.25Å; V271-L348 HydrophobicContact CG1-CB 4.04Å
272D95.2Very high96.8Very high24 Ų2414 Ų1413%0.1288%0.082CC..  trans-76.3102.8166.4-171-18.2000108.9S274 P295 K296 C346D272-S274 WeakPolarHBondContact OD1-CB 3.48Å; D272-S274 PolarHBondContact OD1-N 2.96Å; D272-S274 PolarHBondContact OD1-OG 3.28Å; D272-P295 HydrophobicContact CB-CB 4.06Å; D272-K296 PolarHBondContact OD2-N 3.2Å; D272-C346 HydrophobicContact CB-CB 4.44Å; D272-C346 PolarHBondContact N-O 2.91Å
273A95.9Very high96.7Very high0 Ų016 Ų160%010%0.095CC..  trans-98.413.7177.600000112.6T106 V271 G275 F278 N298 H299 W323T106-A273 HydrophobicContact CG2-CB 4.29Å; V271-A273 PolarHBondContact O-N 3.18Å; A273-G275 PolarHBondContact O-N 3.44Å; A273-F278 HydrophobicContact CB-CD1 3.66Å; A273-F278 HydrophobicContact CB-CE1 3.69Å; A273-F278 HydrophobicContact CB-CG 4.18Å; A273-F278 HydrophobicContact CB-CZ 4.21Å; A273-N298 PolarHBondContact N-OD1 2.95Å; A273-H299 HydrophobicContact CB-CB 3.63Å; A273-W323 HydrophobicContact CB-CH2 3.92Å
274S93.9Very high96.6Very high36 Ų3615.7 Ų15.725%0.2529%0.093SC..  trans-73.6-25.6-169.5-44.90000113.6N98 D272 N298N98-S274 PolarHBondContact ND2-O 3.25Å; N98-S274 PolarHBondContact OD1-O 2.93Å; D272-S274 WeakPolarHBondContact OD1-CB 3.48Å; D272-S274 PolarHBondContact OD1-N 2.96Å; D272-S274 PolarHBondContact OD1-OG 3.28Å; S274-N298 PolarHBondContact OG-ND2 3.45Å
275G93.4Very high96.5Very high25 Ų2511 Ų1126%0.2588%0.076SC..SBendtrans-76.6146.8-173.100000114A273 A277 F278 Q279A273-G275 PolarHBondContact O-N 3.44Å; G275-A277 PolarHBondContact O-N 3.41Å; G275-F278 WeakPolarHBondContact O-CA 3.23Å; G275-F278 WeakPolarHBondContact O-CB 3.14Å; G275-F278 PolarHBondContact O-N 3.18Å; G275-Q279 PolarHBondContact O-N 3.44Å; G275-Q279 VanDerWaalsContact O-N 3.09Å
276P94.9Very high96.4Very high48 Ų4810.6 Ų10.631%0.3127%0.074SC..Hα-helixtrans-61.9-28.3177.924.9-35000112.9F74 F278 Q279 F280F74-P276 HydrophobicContact CD1-CB 4.26Å; F74-P276 HydrophobicContact CD2-CB 4.43Å; F74-P276 HydrophobicContact CD2-CG 4.41Å; F74-P276 HydrophobicContact CE1-CB 3.85Å; F74-P276 HydrophobicContact CE1-CG 4.44Å; F74-P276 HydrophobicContact CE2-CB 4.04Å; F74-P276 HydrophobicContact CE2-CG 3.79Å; F74-P276 HydrophobicContact CZ-CB 3.74Å; F74-P276 HydrophobicContact CZ-CG 3.81Å; P276-F278 VanDerWaalsContact C-N 3.28Å; P276-F278 PolarHBondContact O-N 3.26Å; P276-Q279 PolarHBondContact O-N 3.42Å; P276-F280 VanDerWaalsContact O-CD2 3.28Å; P276-F280 WeakPolarHBondContact O-CD2 3.08Å; P276-F280 PolarHBondContact O-N 2.91Å
277A95.6Very high96.1Very high19 Ų1912.5 Ų12.516%0.1579%0.086CC..Hα-helixtrans-65.7-31.8173.800000112.6F74 Y78 V88 G275 Y281 F286F74-A277 HydrophobicContact CZ-CB 4.14Å; Y78-A277 HydrophobicContact CD2-CB 4.31Å; Y78-A277 HydrophobicContact CE2-CB 3.62Å; V88-A277 HydrophobicContact CG1-CB 4.33Å; G275-A277 PolarHBondContact O-N 3.41Å; A277-Y281 WeakPolarHBondContact O-CA 3.07Å; A277-Y281 PolarHBondContact O-N 3.16Å; A277-F286 HydrophobicContact CB-CE2 3.84Å; A277-F286 HydrophobicContact CB-CZ 4.04Å
278F96.6Very high95.7Very high3 Ų312.9 Ų12.91%0.0139%0.09CC..Hα-helixtrans-75.2-45.2174.5-159.6-72.8000110.3V271 A273 G275 P276 F280 Y281 F286 W323 W327 I333 L335V271-F278 HydrophobicContact CG2-CE2 4.28Å; V271-F278 HydrophobicContact CG2-CZ 3.89Å; A273-F278 HydrophobicContact CB-CD1 3.66Å; A273-F278 HydrophobicContact CB-CE1 3.69Å; A273-F278 HydrophobicContact CB-CG 4.18Å; A273-F278 HydrophobicContact CB-CZ 4.21Å; G275-F278 WeakPolarHBondContact O-CA 3.23Å; G275-F278 WeakPolarHBondContact O-CB 3.14Å; G275-F278 PolarHBondContact O-N 3.18Å; P276-F278 VanDerWaalsContact C-N 3.28Å; P276-F278 PolarHBondContact O-N 3.26Å; F278-F280 PolarHBondContact O-N 2.85Å; F278-Y281 WeakPolarHBondContact O-CB 3.03Å; F278-Y281 PolarHBondContact O-N 2.79Å; F278-Y281 VanDerWaalsContact O-N 3.12Å; F278-F286 HydrophobicContact CB-CZ 4.14Å; F278-F286 HydrophobicContact CD2-CD1 4.31Å; F278-F286 AromaticContact CD2-CE1 3.74Å; F278-F286 HydrophobicContact CD2-CE1 3.74Å; F278-F286 HydrophobicContact CD2-CZ 4.19Å; F278-W323 AromaticContact CD1-CH2 3.91Å; F278-W323 HydrophobicContact CD1-CH2 3.91Å; F278-W323 AromaticContact CD1-CZ3 3.86Å; F278-W323 HydrophobicContact CD1-CZ3 3.86Å; F278-W323 AromaticContact CE1-CH2 3.67Å; F278-W323 HydrophobicContact CE1-CH2 3.67Å; F278-W323 AromaticContact CE1-CZ3 3.68Å; F278-W323 HydrophobicContact CE1-CZ3 3.68Å; F278-W327 AromaticContact CD1-CZ2 3.87Å; F278-W327 HydrophobicContact CD1-CZ2 3.87Å; F278-W327 AromaticContact CE1-CH2 3.9Å; F278-W327 HydrophobicContact CE1-CH2 3.9Å; F278-W327 AromaticContact CE1-CZ2 3.68Å; F278-W327 HydrophobicContact CE1-CZ2 3.68Å; F278-W327 HydrophobicContact CZ-CH2 4.35Å; F278-W327 HydrophobicContact CZ-CZ2 4.49Å; F278-W327 WeakPolarHBondContact O-CZ2 3.27Å; F278-W327 PolarHBondContact O-NE1 3.12Å; F278-I333 HydrophobicContact CD2-CD1 4.11Å; F278-I333 HydrophobicContact CE2-CD1 3.68Å; F278-I333 HydrophobicContact CZ-CD1 3.9Å; F278-L335 HydrophobicContact CE2-CD2 4.31Å
279Q97.5Very high94.9Very high0 Ų016.5 Ų16.50%011%0.114CC..Hα-helixtrans-50.6-43.5174177.6-180-2.600112N91 F93 L96 N98 F101 G275 P276 W327N91-Q279 PolarHBondContact ND2-O 2.93Å; F93-Q279 HydrophobicContact CB-CG 4.31Å; F93-Q279 PolarHBondContact O-NE2 2.83Å; L96-Q279 PolarHBondContact O-NE2 2.88Å; N98-Q279 PolarHBondContact ND2-OE1 3.49Å; N98-Q279 VanDerWaalsContact ND2-OE1 3.15Å; F101-Q279 HydrophobicContact CB-CG 4.27Å; F101-Q279 HydrophobicContact CD1-CB 3.79Å; F101-Q279 HydrophobicContact CD1-CG 3.75Å; F101-Q279 HydrophobicContact CD2-CG 3.86Å; F101-Q279 HydrophobicContact CE1-CB 3.71Å; F101-Q279 HydrophobicContact CE1-CG 4Å; F101-Q279 HydrophobicContact CE2-CG 4.1Å; F101-Q279 HydrophobicContact CG-CB 4.25Å; F101-Q279 HydrophobicContact CG-CG 3.67Å; F101-Q279 HydrophobicContact CZ-CB 4.1Å; F101-Q279 HydrophobicContact CZ-CG 4.15Å; G275-Q279 PolarHBondContact O-N 3.44Å; G275-Q279 VanDerWaalsContact O-N 3.09Å; P276-Q279 PolarHBondContact O-N 3.42Å; Q279-W327 PolarHBondContact O-NE1 2.98Å; Q279-W327 VanDerWaalsContact O-NE1 3.07Å
280F98Very high93.6Very high0 Ų024.7 Ų24.70%015%0.145CC..THydrogen-bonded Turntrans-101.312.8-178.4-64.1-62.4000114.7N71 F74 I75 V88 R89 A94 P276 F278 G282N71-F280 HydrophobicContact CB-CE2 3.96Å; N71-F280 HydrophobicContact CB-CZ 3.68Å; N71-F280 WeakPolarHBondContact OD1-CE2 3.3Å; F74-F280 AromaticContact CD1-CD2 3.88Å; F74-F280 HydrophobicContact CD1-CD2 3.88Å; F74-F280 HydrophobicContact CD1-CE2 4.48Å; F74-F280 HydrophobicContact CE1-CD2 4.02Å; I75-F280 HydrophobicContact CD1-CB 4.4Å; I75-F280 HydrophobicContact CD1-CD1 3.9Å; I75-F280 HydrophobicContact CD1-CD2 4.46Å; I75-F280 HydrophobicContact CD1-CE1 4.35Å; I75-F280 HydrophobicContact CD1-CG 3.98Å; I75-F280 HydrophobicContact CG1-CB 4.22Å; I75-F280 HydrophobicContact CG1-CD2 4.39Å; I75-F280 HydrophobicContact CG1-CG 4.12Å; V88-F280 CarbonylContact C-O 3.55Å; V88-F280 WeakPolarHBondContact CA-O 3.42Å; V88-F280 HydrophobicContact CB-CB 3.93Å; V88-F280 WeakPolarHBondContact CB-O 3.45Å; V88-F280 HydrophobicContact CG1-CB 4.42Å; R89-F280 PolarHBondContact N-O 2.84Å; A94-F280 HydrophobicContact CB-CE1 4.26Å; P276-F280 VanDerWaalsContact O-CD2 3.28Å; P276-F280 WeakPolarHBondContact O-CD2 3.08Å; P276-F280 PolarHBondContact O-N 2.91Å; F278-F280 PolarHBondContact O-N 2.85Å; F280-G282 PolarHBondContact O-N 2.97Å
281Y98.1Very high92.2Very high1 Ų127.6 Ų27.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-52.5131.5179173.8-98.2000110.9A277 F278 S283 G284 F286 W327 G328 Y332 I333 L334A277-Y281 WeakPolarHBondContact O-CA 3.07Å; A277-Y281 PolarHBondContact O-N 3.16Å; F278-Y281 WeakPolarHBondContact O-CB 3.03Å; F278-Y281 PolarHBondContact O-N 2.79Å; F278-Y281 VanDerWaalsContact O-N 3.12Å; Y281-S283 VanDerWaalsContact CE2-O 3.31Å; Y281-S283 WeakPolarHBondContact CE2-O 3.29Å; Y281-G284 VanDerWaalsContact CE2-O 3.28Å; Y281-G284 WeakPolarHBondContact CE2-O 3.44Å; Y281-G284 PolarHBondContact OH-O 3.46Å; Y281-F286 HydrophobicContact CD2-CB 4.08Å; Y281-F286 AromaticContact CD2-CD2 3.74Å; Y281-F286 HydrophobicContact CD2-CD2 3.74Å; Y281-F286 HydrophobicContact CD2-CG 4.21Å; Y281-F286 HydrophobicContact CE2-CB 3.9Å; Y281-F286 HydrophobicContact CE2-CD2 4.34Å; Y281-W327 AromaticContact CD1-CH2 3.99Å; Y281-W327 HydrophobicContact CD1-CH2 3.99Å; Y281-W327 HydrophobicContact CD1-CZ2 4.14Å; Y281-W327 HydrophobicContact CD1-CZ3 4.35Å; Y281-W327 HydrophobicContact CG-CZ2 4.44Å; Y281-G328 VanDerWaalsContact CD1-CA 3.49Å; Y281-G328 VanDerWaalsContact O-CA 3.28Å; Y281-G328 WeakPolarHBondContact O-CA 3.44Å; Y281-G328 PolarHBondContact O-N 3.25Å; Y281-G328 VanDerWaalsContact O-N 3.11Å; Y281-Y332 WeakPolarHBondContact CE1-O 3.26Å; Y281-I333 HydrophobicContact CD1-CB 3.93Å; Y281-I333 HydrophobicContact CD1-CD1 3.88Å; Y281-I333 HydrophobicContact CD1-CG1 3.77Å; Y281-I333 HydrophobicContact CD2-CD1 4.03Å; Y281-I333 HydrophobicContact CD2-CG1 4.2Å; Y281-I333 HydrophobicContact CE1-CB 3.74Å; Y281-I333 HydrophobicContact CE1-CD1 4.26Å; Y281-I333 HydrophobicContact CE1-CG1 3.63Å; Y281-I333 HydrophobicContact CE2-CD1 4.34Å; Y281-I333 HydrophobicContact CE2-CG1 4.02Å; Y281-I333 HydrophobicContact CG-CD1 3.77Å; Y281-I333 HydrophobicContact CG-CG1 4.06Å; Y281-L334 PolarHBondContact OH-N 3.02Å
282G98Very high90.7Very high1 Ų134.8 Ų34.81%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-114.7-56.7-179.900000113A87 R89 F280 G328 Q329A87-G282 WeakPolarHBondContact O-CA 3.32Å; A87-G282 PolarHBondContact O-N 2.86Å; R89-G282 PolarHBondContact NH2-O 3Å; F280-G282 PolarHBondContact O-N 2.97Å; G282-G328 CarbonylContact O-C 3.57Å; G282-G328 VanDerWaalsContact O-O 3.11Å; G282-Q329 PolarHBondContact O-N 3.38Å; G282-Q329 VanDerWaalsContact O-N 3.11Å
283S96.6Very high89.6Confident40 Ų4037.8 Ų37.828%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-162.1175.7-173.855.30000110.9S86 A87 Y281S86-S283 CarbonylContact C-O 3.5Å; S86-S283 VanDerWaalsContact CA-O 3.29Å; S86-S283 WeakPolarHBondContact CA-O 3.33Å; A87-S283 PolarHBondContact N-O 2.87Å; A87-S283 PolarHBondContact O-N 3.45Å; Y281-S283 VanDerWaalsContact CE2-O 3.31Å; Y281-S283 WeakPolarHBondContact CE2-O 3.29Å
284G95.4Very high88.8Confident5 Ų540.9 Ų40.95%0.05228%0.276CS..SBendtrans78.5173177.900000112.8D85 Y281 F286D85-G284 WeakPolarHBondContact OD1-CA 3.41Å; D85-G284 VanDerWaalsContact OD2-CA 3.31Å; D85-G284 WeakPolarHBondContact OD2-CA 3.31Å; Y281-G284 VanDerWaalsContact CE2-O 3.28Å; Y281-G284 WeakPolarHBondContact CE2-O 3.44Å; Y281-G284 PolarHBondContact OH-O 3.46Å; G284-F286 PolarHBondContact O-N 3.45Å
285V95.8Very high88.3Confident2 Ų240.4 Ų40.41%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-77.4110.1-177.8-178.70000109.7Y84 D85 S86 P287 Y316 E336Y84-V285 WeakPolarHBondContact CD1-O 3.19Å; D85-V285 PolarHBondContact OD1-N 2.9Å; S86-V285 WeakPolarHBondContact CB-O 3.35Å; V285-P287 WeakPolarHBondContact O-CD 2.86Å; V285-Y316 HydrophobicContact CG2-CD1 3.67Å; V285-Y316 HydrophobicContact CG2-CE1 4.49Å; V285-Y316 HydrophobicContact CG2-CG 4.06Å; V285-E336 HydrophobicContact CG1-CB 3.85Å; V285-E336 HydrophobicContact CG1-CG 4.34Å
286F95.2Very high88.1Confident5 Ų546.1 Ų46.12%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-75.5120.9-179.8-169.1-105.5000110.9A277 F278 Y281 G284 G288 I333 L334 L335 E336A277-F286 HydrophobicContact CB-CE2 3.84Å; A277-F286 HydrophobicContact CB-CZ 4.04Å; F278-F286 HydrophobicContact CB-CZ 4.14Å; F278-F286 HydrophobicContact CD2-CD1 4.31Å; F278-F286 AromaticContact CD2-CE1 3.74Å; F278-F286 HydrophobicContact CD2-CE1 3.74Å; F278-F286 HydrophobicContact CD2-CZ 4.19Å; Y281-F286 HydrophobicContact CD2-CB 4.08Å; Y281-F286 AromaticContact CD2-CD2 3.74Å; Y281-F286 HydrophobicContact CD2-CD2 3.74Å; Y281-F286 HydrophobicContact CD2-CG 4.21Å; Y281-F286 HydrophobicContact CE2-CB 3.9Å; Y281-F286 HydrophobicContact CE2-CD2 4.34Å; G284-F286 PolarHBondContact O-N 3.45Å; F286-G288 VanDerWaalsContact C-N 3.27Å; F286-G288 VanDerWaalsContact CD1-N 3.31Å; F286-G288 VanDerWaalsContact CE1-CA 3.43Å; F286-G288 PolarHBondContact O-N 2.96Å; F286-I333 HydrophobicContact CB-CD1 4Å; F286-I333 HydrophobicContact CB-CG1 4.17Å; F286-I333 HydrophobicContact CD1-CD1 4.13Å; F286-I333 HydrophobicContact CG-CD1 4.04Å; F286-L334 VanDerWaalsContact CB-O 3.27Å; F286-L334 WeakPolarHBondContact CB-O 3.31Å; F286-L334 PolarHBondContact N-O 2.94Å; F286-L335 HydrophobicContact CB-CD2 4.32Å; F286-L335 HydrophobicContact CD1-CD2 3.96Å; F286-E336 PolarHBondContact O-N 3.43Å
287P92.5Very high88Confident40 Ų4044.6 Ų44.626%0.2628%0.28SS..  trans-76.4-10.1-177.828.7-34.9000114.4Y84 V285Y84-P287 HydrophobicContact CD1-CB 3.86Å; Y84-P287 HydrophobicContact CD1-CG 4.27Å; Y84-P287 HydrophobicContact CD2-CB 4.31Å; Y84-P287 HydrophobicContact CE1-CB 3.52Å; Y84-P287 HydrophobicContact CE1-CG 4.41Å; Y84-P287 HydrophobicContact CE2-CB 4Å; Y84-P287 HydrophobicContact CG-CB 4.24Å; Y84-P287 HydrophobicContact CG-CG 4.35Å; V285-P287 WeakPolarHBondContact O-CD 2.86Å
288G89.3Confident87.9Confident8 Ų844.7 Ų44.78%0.08228%0.278CS..  trans89.8-178.5-167.100000113.5F286F286-G288 VanDerWaalsContact C-N 3.27Å; F286-G288 VanDerWaalsContact CD1-N 3.31Å; F286-G288 VanDerWaalsContact CE1-CA 3.43Å; F286-G288 PolarHBondContact O-N 2.96Å
289P82.5Confident87.9Confident77 Ų7744.5 Ų44.550%0.528%0.277SS..SBendtrans-65.3147.6175.127.9-33.6000111.2
290R70Confident87.9Confident172 Ų17244.6 Ų44.665%0.64928%0.278SS*.SBendtrans-75.8143.5172.8-57-173.6-145.5-140.10.1110.1R79R79-R290 PolarHBondContact O-NH2 2.75Å
291G66.9Low87.9Confident73 Ų7344.7 Ų44.775%0.75328%0.278SS*.SBendtrans113-176170.700000114.1
292T63.7Low87.9Confident151 Ų15144.7 Ų44.793%0.92628%0.279SS*.SBendtrans-101.9-1.4-172.755.20000113.7A294T292-A294 PolarHBondContact O-N 3.28Å
293A72Confident88Confident87 Ų8744.7 Ų44.772%0.71928%0.278SS*.SBendtrans-64133.117800000109.9
294A78.3Confident88.1Confident65 Ų6542.8 Ų42.854%0.53727%0.265SS..PPolyproline II helixtrans-59.3135.4172.500000109.4T292T292-A294 PolarHBondContact O-N 3.28Å
295P84.2Confident88.2Confident26 Ų2642.6 Ų42.617%0.16926%0.263CS..PPolyproline II helixtrans-60.4146.2178.925.4-32.9000109.9D272 P297 H343D272-P295 HydrophobicContact CB-CB 4.06Å; P295-P297 WeakPolarHBondContact O-CD 3.4Å; P295-H343 HydrophobicContact CG-CB 3.76Å
296K89Confident88.4Confident145 Ų14543 Ų4363%0.6326%0.264SS*.  trans-113.886.2171.3-65.7-178-176.4-179.10108.8D272 N298D272-K296 PolarHBondContact OD2-N 3.2Å; K296-N298 PolarHBondContact O-N 3.04Å
297P92Very high88.5Confident17 Ų1743.2 Ų43.211%0.1127%0.266CS..  trans-55.4125.8178.8-26.135000111.5V271 P295V271-P297 WeakPolarHBondContact O-CA 3.29Å; P295-P297 WeakPolarHBondContact O-CD 3.4Å
298N93.9Very high88.7Confident20 Ų2046.1 Ų46.111%0.10728%0.276CS..  trans-134.90.5-17862.5-9.5000112.4T106 G107 V108 V271 A273 S274 K296T106-N298 WeakPolarHBondContact CB-O 3.45Å; G107-N298 PolarHBondContact N-O 3.3Å; V108-N298 PolarHBondContact N-O 3.05Å; V271-N298 PolarHBondContact O-N 3.26Å; V271-N298 VanDerWaalsContact O-N 3.07Å; V271-N298 PolarHBondContact O-OD1 2.84Å; A273-N298 PolarHBondContact N-OD1 2.95Å; S274-N298 PolarHBondContact OG-ND2 3.45Å; K296-N298 PolarHBondContact O-N 3.04Å
299H96.5Very high88.7Confident0 Ų047.8 Ų47.80%028%0.283CS..EExtended strand (participates in β ladder)trans-138.1143.3-179.6-171.361.8000111.3V108 Q151 S157 Y270 V271 A273 N321 W323V108-H299 VanDerWaalsContact CG2-C 3.43Å; Q151-H299 PolarHBondContact OE1-CE1 3.31Å; S157-H299 WeakPolarHBondContact CB-CE1 3.29Å; S157-H299 VanDerWaalsContact CB-ND1 3.3Å; S157-H299 WeakPolarHBondContact CB-ND1 3.34Å; S157-H299 PolarHBondContact OG-CE1 3.25Å; S157-H299 PolarHBondContact OG-ND1 3.49Å; Y270-H299 CarbonylContact C-O 3.49Å; Y270-H299 VanDerWaalsContact CA-O 3.31Å; Y270-H299 WeakPolarHBondContact CA-O 3.45Å; V271-H299 HydrophobicContact CG2-CB 4.23Å; V271-H299 PolarHBondContact N-O 2.89Å; V271-H299 PolarHBondContact O-N 3.34Å; A273-H299 HydrophobicContact CB-CB 3.63Å; H299-N321 PolarHBondContact NE2-OD1 2.87Å; H299-W323 AromaticContact CD2-CH2 3.99Å; H299-W323 AromaticContact CD2-CZ2 3.68Å; H299-W323 AromaticContact CE1-CE2 3.49Å; H299-W323 VanDerWaalsContact CE1-CE2 3.49Å; H299-W323 AromaticContact CE1-CZ2 3.36Å; H299-W323 WeakPolarHBondContact CE1-CZ2 3.33Å; H299-W323 AromaticContact CE1-NE1 3.4Å; H299-W323 PolarHBondContact CE1-NE1 2.75Å; H299-W323 AromaticContact CG-CZ2 3.8Å; H299-W323 AromaticContact ND1-CZ2 3.66Å; H299-W323 AromaticContact NE2-CE2 3.64Å; H299-W323 AromaticContact NE2-CZ2 3.4Å; H299-W323 WeakPolarHBondContact NE2-CZ2 3.47Å; H299-W323 AromaticContact NE2-NE1 3.93Å
300A97.2Very high88.9Confident1 Ų148 Ų481%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-103.3140.9178.400000111V108 S157 A161 T203 A269 Y270V108-A300 HydrophobicContact CG2-CB 3.72Å; S157-A300 PolarHBondContact OG-N 3.43Å; A161-A300 HydrophobicContact CB-CB 3.71Å; T203-A300 HydrophobicContact CG2-CB 4.19Å; A269-A300 WeakPolarHBondContact O-CA 3.21Å; Y270-A300 HydrophobicContact CD1-CB 3.76Å; Y270-A300 HydrophobicContact CE1-CB 3.9Å
301V98.6Very high89.6Confident2 Ų244.6 Ų44.61%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-136.4164.7175.6-64.90000109.7T268 A269 V271 A319 K320T268-V301 WeakPolarHBondContact CA-O 3.45Å; A269-V301 HydrophobicContact CB-CG2 4.39Å; A269-V301 PolarHBondContact N-O 2.84Å; A269-V301 PolarHBondContact O-N 3.27Å; V271-V301 HydrophobicContact CG1-CG2 3.9Å; V271-V301 HydrophobicContact CG2-CG1 4.03Å; V271-V301 HydrophobicContact CG2-CG2 4.25Å; V301-A319 HydrophobicContact CB-CB 4.09Å; V301-A319 HydrophobicContact CG2-CB 3.88Å; V301-K320 WeakPolarHBondContact CB-O 3.32Å
302T98.9Very high90.6Very high2 Ų243.8 Ų43.81%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-110.3117.9172.4-48.90000109.8A161 A164 A165 P266 V267 V304 A319 K320A161-T302 VanDerWaalsContact CA-OG1 3.25Å; A161-T302 WeakPolarHBondContact CA-OG1 3.36Å; A161-T302 PolarHBondContact O-OG1 3.5Å; A164-T302 HydrophobicContact CB-CG2 4.22Å; A164-T302 WeakPolarHBondContact CB-OG1 3.26Å; A165-T302 HydrophobicContact CB-CG2 4.22Å; P266-T302 HydrophobicContact CB-CG2 3.69Å; V267-T302 CarbonylContact O-C 2.96Å; V267-T302 WeakPolarHBondContact O-CA 3.36Å; T302-V304 HydrophobicContact CG2-CG1 4.14Å; T302-V304 PolarHBondContact O-N 2.91Å; T302-A319 CarbonylContact O-C 3.43Å; T302-A319 WeakPolarHBondContact O-CA 3.12Å; T302-K320 PolarHBondContact N-O 3.33Å; T302-K320 VanDerWaalsContact N-O 3.14Å; T302-K320 PolarHBondContact O-N 3.26Å
303L98.9Very high91.9Very high0 Ų038.2 Ų38.20%026%0.263CS..EExtended strand (participates in β ladder)trans-68.4112.5168-55.3-174.6000108.6L258 V262 P266 V267 A269 W317 A319L258-L303 HydrophobicContact CD1-CD1 3.92Å; L258-L303 HydrophobicContact CD2-CD1 3.79Å; L258-L303 HydrophobicContact CG-CD1 3.96Å; V262-L303 HydrophobicContact CG2-CB 3.74Å; V262-L303 HydrophobicContact CG2-CD1 3.99Å; P266-L303 VanDerWaalsContact CA-O 3.25Å; P266-L303 WeakPolarHBondContact CA-O 3.25Å; V267-L303 PolarHBondContact N-O 3.04Å; V267-L303 PolarHBondContact O-N 2.95Å; A269-L303 HydrophobicContact CB-CD1 4.16Å; A269-L303 HydrophobicContact CB-CD2 4.38Å; A269-L303 HydrophobicContact CB-CG 4.02Å; L303-W317 HydrophobicContact CD1-CD2 4.38Å; L303-W317 HydrophobicContact CD1-CE3 4.11Å; L303-W317 HydrophobicContact CD1-CZ3 4.47Å; L303-W317 HydrophobicContact CD2-CB 4.16Å; L303-A319 HydrophobicContact CD2-CB 3.85Å
304V98.8Very high92.9Very high1 Ų135.5 Ų35.51%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-107.77.2180-63.10000112.2W139 R140 V145 P266 T302 I318 K320 Y332W139-V304 HydrophobicContact CB-CB 4.48Å; W139-V304 WeakPolarHBondContact CB-O 2.97Å; W139-V304 PolarHBondContact N-O 3.34Å; R140-V304 HydrophobicContact CG-CG2 4.27Å; V145-V304 HydrophobicContact CG1-CG1 4.05Å; V145-V304 HydrophobicContact CG2-CB 3.82Å; V145-V304 HydrophobicContact CG2-CG1 3.72Å; P266-V304 HydrophobicContact CB-CG1 4.35Å; T302-V304 HydrophobicContact CG2-CG1 4.14Å; T302-V304 PolarHBondContact O-N 2.91Å; V304-I318 HydrophobicContact CG2-CB 4.22Å; V304-I318 HydrophobicContact CG2-CG2 3.72Å; V304-I318 WeakPolarHBondContact CG2-O 3.47Å; V304-I318 PolarHBondContact N-O 2.99Å; V304-K320 HydrophobicContact CG1-CB 4.02Å; V304-Y332 HydrophobicContact CG2-CD1 4.25Å; V304-Y332 HydrophobicContact CG2-CE1 3.93Å
305G98.7Very high93.7Very high0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans166.6179.4179.200000113.6I137 I318I137-G305 CarbonylContact O-C 3.43Å; I137-G305 WeakPolarHBondContact O-CA 3.26Å; G305-I318 PolarHBondContact O-N 3.35Å
306Y98.6Very high94.4Very high12 Ų1237.1 Ų37.15%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-153.6147.6167.357.8-96.2000108.5P134 C136 I137 A259 V262 A263 Y316 W317 K337P134-Y306 VanDerWaalsContact O-CE2 3.29Å; P134-Y306 WeakPolarHBondContact O-CE2 3.46Å; P134-Y306 PolarHBondContact O-OH 3.42Å; C136-Y306 CarbonylContact C-O 3.59Å; C136-Y306 VanDerWaalsContact CA-O 3.26Å; C136-Y306 WeakPolarHBondContact CA-O 3.15Å; I137-Y306 HydrophobicContact CG2-CD1 3.65Å; I137-Y306 HydrophobicContact CG2-CD2 4.48Å; I137-Y306 HydrophobicContact CG2-CE1 3.39Å; I137-Y306 HydrophobicContact CG2-CE2 4.26Å; I137-Y306 HydrophobicContact CG2-CG 4.2Å; I137-Y306 PolarHBondContact N-O 2.94Å; I137-Y306 PolarHBondContact O-N 3.42Å; A259-Y306 HydrophobicContact CB-CD1 4.49Å; A259-Y306 HydrophobicContact CB-CE1 4.1Å; A259-Y306 WeakPolarHBondContact O-CE1 3.08Å; V262-Y306 HydrophobicContact CB-CD1 4.17Å; V262-Y306 HydrophobicContact CB-CE1 4.3Å; V262-Y306 HydrophobicContact CG1-CD1 3.78Å; V262-Y306 HydrophobicContact CG1-CE1 4.18Å; A263-Y306 HydrophobicContact CB-CE1 4.27Å; Y306-Y316 CarbonylContact C-O 3.59Å; Y306-Y316 WeakPolarHBondContact CA-O 3.28Å; Y306-Y316 VanDerWaalsContact CB-O 3.28Å; Y306-Y316 WeakPolarHBondContact CB-O 3.44Å; Y306-W317 HydrophobicContact CD1-CE3 4.24Å; Y306-W317 AromaticContact CD1-CZ3 3.78Å; Y306-W317 HydrophobicContact CD1-CZ3 3.78Å; Y306-W317 HydrophobicContact CG-CE3 4.42Å; Y306-W317 HydrophobicContact CG-CZ3 4.25Å; Y306-K337 HydrophobicContact CD2-CD 4.48Å; Y306-K337 HydrophobicContact CG-CD 4.24Å
307C98Very high94.9Very high8 Ų830.2 Ų30.25%0.05420%0.197CC..EExtended strand (participates in β ladder)trans-147.1-177.7176-65.20000109.7C136 K315 Y316C136-C307 HydrophobicContact CB-CB 3.73Å; C136-C307 WeakPolarHBondContact CB-SG 3.2Å; C136-C307 WeakPolarHBondContact SG-CB 3.29Å; C136-C307 CovalentContact SG-SG 2.05Å; C136-C307 PolarHBondContact SG-SG 2.89Å; C307-K315 WeakPolarHBondContact O-CA 3.49Å; C307-Y316 HydrophobicContact CB-CE1 4.35Å; C307-Y316 HydrophobicContact CB-CE2 3.77Å; C307-Y316 WeakPolarHBondContact CB-OH 3.48Å; C307-Y316 PolarHBondContact N-O 2.89Å; C307-Y316 PolarHBondContact O-N 2.52Å
308Q95.9Very high95.2Very high102 Ų10229.5 Ų29.548%0.47719%0.192SC..EExtended strand (participates in β ladder)trans-121.2132173.4-174.3175.5-18.100108.5G310 G313 K314 K315Q308-G310 PolarHBondContact O-N 2.74Å; Q308-G313 VanDerWaalsContact CG-O 3.32Å; Q308-G313 WeakPolarHBondContact CG-O 3.32Å; Q308-G313 PolarHBondContact NE2-O 3.19Å; Q308-K314 CarbonylContact C-O 3.56Å; Q308-K314 WeakPolarHBondContact CA-O 3.36Å; Q308-K315 HydrophobicContact CB-CG 4.17Å; Q308-K315 HydrophobicContact CG-CG 3.99Å
309D90.4Very high95.4Very high43 Ų4328.6 Ų28.623%0.2319%0.187CC..  trans-69.7128.6174.3177.454.5000109.6A311 S312 G313 K314 Y316D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 3.21Å; D309-A311 PolarHBondContact OD2-N 3.41Å; D309-S312 WeakPolarHBondContact CB-OG 3.12Å; D309-S312 VanDerWaalsContact OD2-CB 3.27Å; D309-S312 WeakPolarHBondContact OD2-CB 3.49Å; D309-S312 PolarHBondContact OD2-N 2.96Å; D309-S312 PolarHBondContact OD2-OG 3.24Å; D309-G313 WeakPolarHBondContact O-CA 3.42Å; D309-G313 PolarHBondContact O-N 2.87Å; D309-K314 PolarHBondContact N-O 2.76Å; D309-Y316 HydrophobicContact CB-CD1 4.39Å; D309-Y316 HydrophobicContact CB-CE1 3.98Å
310G86Confident95.5Very high82 Ų8229.2 Ų29.285%0.84519%0.19SC*.THydrogen-bonded Turntrans-72.1-26-17500000113.6Q308Q308-G310 PolarHBondContact O-N 2.74Å
311A85.5Confident95.6Very high100 Ų10029.4 Ų29.483%0.82619%0.191SC*.THydrogen-bonded Turntrans-87.6-50-175.600000112.4D309D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 3.21Å; D309-A311 PolarHBondContact OD2-N 3.41Å
312S86.9Confident95.6Very high56 Ų5629.6 Ų29.639%0.39219%0.192SC..THydrogen-bonded Turntrans-87.6-18.2179.865.90000113.4D309 K314D309-S312 WeakPolarHBondContact CB-OG 3.12Å; D309-S312 VanDerWaalsContact OD2-CB 3.27Å; D309-S312 WeakPolarHBondContact OD2-CB 3.49Å; D309-S312 PolarHBondContact OD2-N 2.96Å; D309-S312 PolarHBondContact OD2-OG 3.24Å; S312-K314 PolarHBondContact O-N 3.43Å; S312-K314 WeakPolarHBondContact OG-CB 3.32Å; S312-K314 PolarHBondContact OG-N 3.39Å
313G91.1Very high95.6Very high33 Ų3329.5 Ų29.534%0.3419%0.191SC..  trans72.21.2-171.900000114Q308 D309Q308-G313 VanDerWaalsContact CG-O 3.32Å; Q308-G313 WeakPolarHBondContact CG-O 3.32Å; Q308-G313 PolarHBondContact NE2-O 3.19Å; D309-G313 WeakPolarHBondContact O-CA 3.42Å; D309-G313 PolarHBondContact O-N 2.87Å
314K92.7Very high95.5Very high30 Ų3029.8 Ų29.813%0.1319%0.194CC..  trans-70.3133.7-178.7-73.4-174.5172.1-70.30111.2T83 Y84 Q308 D309 S312 E336T83-K314 WeakPolarHBondContact O-CE 3.43Å; Y84-K314 HydrophobicContact CD1-CD 3.86Å; Y84-K314 HydrophobicContact CE1-CD 3.92Å; Y84-K314 PolarHBondContact OH-NZ 3.4Å; Q308-K314 CarbonylContact C-O 3.56Å; Q308-K314 WeakPolarHBondContact CA-O 3.36Å; D309-K314 PolarHBondContact N-O 2.76Å; S312-K314 PolarHBondContact O-N 3.43Å; S312-K314 WeakPolarHBondContact OG-CB 3.32Å; S312-K314 PolarHBondContact OG-N 3.39Å; K314-E336 IonicContact NZ-OE1 3.86Å; K314-E336 PolarHBondContact NZ-OE1 2.78Å
315K96.8Very high95.5Very high87 Ų8735.5 Ų35.538%0.37822%0.219SC..EExtended strand (participates in β ladder)trans-85.5146.4172.1-61.6175.4-172.1178.20109.4C307 Q308 K337 D338C307-K315 WeakPolarHBondContact O-CA 3.49Å; Q308-K315 HydrophobicContact CB-CG 4.17Å; Q308-K315 HydrophobicContact CG-CG 3.99Å; K315-K337 HydrophobicContact CB-CB 3.96Å; K315-K337 HydrophobicContact CB-CD 4.48Å; K315-K337 HydrophobicContact CB-CG 4.32Å; K315-K337 PolarHBondContact O-N 2.91Å; K315-D338 HydrophobicContact CD-CB 4.47Å; K315-D338 WeakPolarHBondContact CD-OD2 3.44Å; K315-D338 WeakPolarHBondContact CE-OD2 3.27Å; K315-D338 IonicContact NZ-OD2 3.97Å; K315-D338 PolarHBondContact NZ-OD2 3Å
316Y97.9Very high95.4Very high39 Ų3939 Ų3915%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-146.1150.2179.457.1-96.4000112.1V285 Y306 C307 D309 I318 L334 L335V285-Y316 HydrophobicContact CG2-CD1 3.67Å; V285-Y316 HydrophobicContact CG2-CE1 4.49Å; V285-Y316 HydrophobicContact CG2-CG 4.06Å; Y306-Y316 CarbonylContact C-O 3.59Å; Y306-Y316 WeakPolarHBondContact CA-O 3.28Å; Y306-Y316 VanDerWaalsContact CB-O 3.28Å; Y306-Y316 WeakPolarHBondContact CB-O 3.44Å; C307-Y316 HydrophobicContact CB-CE1 4.35Å; C307-Y316 HydrophobicContact CB-CE2 3.77Å; C307-Y316 WeakPolarHBondContact CB-OH 3.48Å; C307-Y316 PolarHBondContact N-O 2.89Å; C307-Y316 PolarHBondContact O-N 2.52Å; D309-Y316 HydrophobicContact CB-CD1 4.39Å; D309-Y316 HydrophobicContact CB-CE1 3.98Å; Y316-I318 HydrophobicContact CD2-CG1 4.01Å; Y316-I318 HydrophobicContact CE2-CD1 4.25Å; Y316-I318 HydrophobicContact CE2-CG1 3.82Å; Y316-L334 HydrophobicContact CD2-CB 4.11Å; Y316-L334 HydrophobicContact CD2-CD1 4.23Å; Y316-L334 HydrophobicContact CD2-CD2 3.8Å; Y316-L334 HydrophobicContact CD2-CG 4.26Å; Y316-L334 HydrophobicContact CE2-CD1 4.17Å; Y316-L334 HydrophobicContact CE2-CD2 3.88Å; Y316-L334 HydrophobicContact CG-CB 4.25Å; Y316-L335 CarbonylContact C-O 3Å; Y316-L335 WeakPolarHBondContact CA-O 3.48Å; Y316-L335 WeakPolarHBondContact CB-O 3.41Å
317W98.8Very high95.4Very high0 Ų038.4 Ų38.40%024%0.238CC..EExtended strand (participates in β ladder)trans-81147.7163.4-58.2103.7000110.1E255 L258 A259 V262 L303 Y306 L334 L335 K337 L348E255-W317 HydrophobicContact CB-CZ2 4.11Å; E255-W317 HydrophobicContact CG-CZ2 4.17Å; E255-W317 PolarHBondContact OE2-NE1 3.43Å; L258-W317 HydrophobicContact CB-CH2 4.07Å; L258-W317 HydrophobicContact CB-CZ2 4.46Å; L258-W317 HydrophobicContact CD2-CH2 4.19Å; L258-W317 HydrophobicContact CD2-CZ2 4.08Å; L258-W317 HydrophobicContact CG-CH2 3.82Å; L258-W317 HydrophobicContact CG-CZ2 4.22Å; L258-W317 HydrophobicContact CG-CZ3 4.29Å; A259-W317 HydrophobicContact CB-CH2 3.73Å; A259-W317 HydrophobicContact CB-CZ3 4.25Å; V262-W317 HydrophobicContact CB-CZ3 4.19Å; V262-W317 HydrophobicContact CG1-CZ3 4.48Å; V262-W317 HydrophobicContact CG2-CE3 4.48Å; V262-W317 HydrophobicContact CG2-CZ3 3.97Å; L303-W317 HydrophobicContact CD1-CD2 4.38Å; L303-W317 HydrophobicContact CD1-CE3 4.11Å; L303-W317 HydrophobicContact CD1-CZ3 4.47Å; L303-W317 HydrophobicContact CD2-CB 4.16Å; Y306-W317 HydrophobicContact CD1-CE3 4.24Å; Y306-W317 AromaticContact CD1-CZ3 3.78Å; Y306-W317 HydrophobicContact CD1-CZ3 3.78Å; Y306-W317 HydrophobicContact CG-CE3 4.42Å; Y306-W317 HydrophobicContact CG-CZ3 4.25Å; W317-L334 VanDerWaalsContact O-CA 3.25Å; W317-L334 WeakPolarHBondContact O-CA 3.43Å; W317-L335 HydrophobicContact CB-CB 4.32Å; W317-L335 PolarHBondContact N-O 3.14Å; W317-L335 PolarHBondContact O-N 3.49Å; W317-L335 VanDerWaalsContact O-N 3.08Å; W317-K337 HydrophobicContact CD2-CB 4.32Å; W317-K337 HydrophobicContact CD2-CD 4Å; W317-K337 HydrophobicContact CD2-CG 4.17Å; W317-K337 HydrophobicContact CE3-CD 4.25Å; W317-K337 HydrophobicContact CG-CB 4.18Å; W317-K337 HydrophobicContact CH2-CD 4.04Å; W317-K337 VanDerWaalsContact CH2-CE 3.46Å; W317-K337 HydrophobicContact CH2-CG 4.48Å; W317-K337 HydrophobicContact CZ2-CD 3.76Å; W317-K337 HydrophobicContact CZ2-CG 3.72Å; W317-K337 HydrophobicContact CZ3-CD 4.26Å; W317-L348 VanDerWaalsContact CD1-CD2 3.42Å; W317-L348 HydrophobicContact CG-CD2 4.12Å
318I98.8Very high95.4Very high2 Ų238 Ų381%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-107107.3170.7-54.6167.7000106.7D138 V304 G305 Y316 Y332 L334D138-I318 HydrophobicContact CB-CD1 4.14Å; V304-I318 HydrophobicContact CG2-CB 4.22Å; V304-I318 HydrophobicContact CG2-CG2 3.72Å; V304-I318 WeakPolarHBondContact CG2-O 3.47Å; V304-I318 PolarHBondContact N-O 2.99Å; G305-I318 PolarHBondContact O-N 3.35Å; Y316-I318 HydrophobicContact CD2-CG1 4.01Å; Y316-I318 HydrophobicContact CE2-CD1 4.25Å; Y316-I318 HydrophobicContact CE2-CG1 3.82Å; I318-Y332 HydrophobicContact CG2-CD1 4.1Å; I318-L334 HydrophobicContact CB-CD2 4.49Å; I318-L334 HydrophobicContact CG1-CD2 4.04Å; I318-L334 HydrophobicContact CG2-CD2 4.43Å
319A98.9Very high95.5Very high0 Ų037.1 Ų37.10%023%0.232CC..EExtended strand (participates in β ladder)trans-107.4126179.700000111V301 T302 L303 Y332 I333 L335V301-A319 HydrophobicContact CB-CB 4.09Å; V301-A319 HydrophobicContact CG2-CB 3.88Å; T302-A319 CarbonylContact O-C 3.43Å; T302-A319 WeakPolarHBondContact O-CA 3.12Å; L303-A319 HydrophobicContact CD2-CB 3.85Å; A319-Y332 CarbonylContact O-C 3.45Å; A319-Y332 VanDerWaalsContact O-CA 3.25Å; A319-Y332 WeakPolarHBondContact O-CA 3.36Å; A319-I333 HydrophobicContact CB-CG2 3.83Å; A319-I333 PolarHBondContact N-O 3.47Å; A319-I333 PolarHBondContact O-N 3.5Å; A319-L335 HydrophobicContact CB-CD1 4.31Å
320K98.9Very high95.8Very high14 Ų1441.1 Ų41.16%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-77.3127.3170.1-172.3179.9178.3179.90108.9V145 T146 G147 V148 A164 V301 T302 V304 Y332V145-K320 HydrophobicContact CG1-CD 3.72Å; T146-K320 PolarHBondContact O-NZ 3.19Å; T146-K320 PolarHBondContact OG1-NZ 2.93Å; G147-K320 WeakPolarHBondContact O-CE 3.22Å; G147-K320 PolarHBondContact O-NZ 2.95Å; V148-K320 HydrophobicContact CG2-CG 4.41Å; A164-K320 HydrophobicContact CB-CD 4.22Å; V301-K320 WeakPolarHBondContact CB-O 3.32Å; T302-K320 PolarHBondContact N-O 3.33Å; T302-K320 VanDerWaalsContact N-O 3.14Å; T302-K320 PolarHBondContact O-N 3.26Å; V304-K320 HydrophobicContact CG1-CB 4.02Å; K320-Y332 HydrophobicContact CB-CD1 4Å; K320-Y332 HydrophobicContact CB-CE1 3.6Å; K320-Y332 HydrophobicContact CD-CE1 4.43Å; K320-Y332 HydrophobicContact CG-CD1 4.41Å; K320-Y332 HydrophobicContact CG-CE1 3.76Å
321N98.6Very high96.4Very high5 Ų537.2 Ų37.23%0.02721%0.209CC..  trans-106.1171.2175.5-160.93.8000111.2H299 W323 W327 G331H299-N321 PolarHBondContact NE2-OD1 2.87Å; N321-W323 VanDerWaalsContact ND2-CD2 3.28Å; N321-W323 VanDerWaalsContact ND2-CZ3 3.28Å; N321-W323 WeakPolarHBondContact ND2-CZ3 3.5Å; N321-W327 HydrophobicContact CB-CE3 4.02Å; N321-W327 HydrophobicContact CB-CH2 4.41Å; N321-W327 HydrophobicContact CB-CZ3 3.62Å; N321-W327 VanDerWaalsContact ND2-CE3 3.29Å; N321-W327 VanDerWaalsContact ND2-CH2 3.27Å; N321-W327 WeakPolarHBondContact ND2-CH2 3.46Å; N321-W327 WeakPolarHBondContact ND2-CZ3 3.21Å; N321-G331 WeakPolarHBondContact CB-O 3.33Å; N321-G331 PolarHBondContact N-O 3.49Å
322S98.4Very high97.1Very high5 Ų533.5 Ų33.54%0.03517%0.173CC..SBendtrans-119.533.2-177.148.20000112.9K149 D150 Q151K149-S322 CarbonylContact O-C 3.33Å; D150-S322 CarbonylContact C-O 3.52Å; D150-S322 WeakPolarHBondContact CA-O 3.29Å; Q151-S322 WeakPolarHBondContact CG-O 3.5Å; Q151-S322 PolarHBondContact N-O 3.46Å; Q151-S322 PolarHBondContact OE1-O 2.76Å; Q151-S322 PolarHBondContact OE1-OG 3.49Å
323W98.4Very high97.6Very high0 Ų030.8 Ų30.80%016%0.155CC..BIsolated β-bridgetrans-114.728.7178-62.7-22.8000112.8Q92 F93 F101 Y105 A273 F278 H299 N321 W327Q92-W323 PolarHBondContact NE2-O 3.08Å; F93-W323 HydrophobicContact CE2-CB 4.11Å; F93-W323 HydrophobicContact CE2-CD2 4.31Å; F93-W323 HydrophobicContact CE2-CE3 4.19Å; F93-W323 HydrophobicContact CE2-CG 4.3Å; F93-W323 HydrophobicContact CZ-CB 3.93Å; F93-W323 HydrophobicContact CZ-CD2 4.47Å; F93-W323 HydrophobicContact CZ-CG 4.09Å; F101-W323 HydrophobicContact CE1-CH2 4.23Å; F101-W323 HydrophobicContact CE2-CE3 4.42Å; F101-W323 HydrophobicContact CE2-CH2 4.39Å; F101-W323 HydrophobicContact CE2-CZ2 4.49Å; F101-W323 HydrophobicContact CE2-CZ3 4.34Å; F101-W323 HydrophobicContact CZ-CE3 4.12Å; F101-W323 AromaticContact CZ-CH2 3.48Å; F101-W323 HydrophobicContact CZ-CH2 3.48Å; F101-W323 VanDerWaalsContact CZ-CH2 3.48Å; F101-W323 AromaticContact CZ-CZ2 3.86Å; F101-W323 HydrophobicContact CZ-CZ2 3.86Å; F101-W323 AromaticContact CZ-CZ3 3.61Å; F101-W323 HydrophobicContact CZ-CZ3 3.61Å; Y105-W323 PolarHBondContact O-NE1 2.88Å; A273-W323 HydrophobicContact CB-CH2 3.92Å; F278-W323 AromaticContact CD1-CH2 3.91Å; F278-W323 HydrophobicContact CD1-CH2 3.91Å; F278-W323 AromaticContact CD1-CZ3 3.86Å; F278-W323 HydrophobicContact CD1-CZ3 3.86Å; F278-W323 AromaticContact CE1-CH2 3.67Å; F278-W323 HydrophobicContact CE1-CH2 3.67Å; F278-W323 AromaticContact CE1-CZ3 3.68Å; F278-W323 HydrophobicContact CE1-CZ3 3.68Å; H299-W323 AromaticContact CD2-CH2 3.99Å; H299-W323 AromaticContact CD2-CZ2 3.68Å; H299-W323 AromaticContact CE1-CE2 3.49Å; H299-W323 VanDerWaalsContact CE1-CE2 3.49Å; H299-W323 AromaticContact CE1-CZ2 3.36Å; H299-W323 WeakPolarHBondContact CE1-CZ2 3.33Å; H299-W323 AromaticContact CE1-NE1 3.4Å; H299-W323 PolarHBondContact CE1-NE1 2.75Å; H299-W323 AromaticContact CG-CZ2 3.8Å; H299-W323 AromaticContact ND1-CZ2 3.66Å; H299-W323 AromaticContact NE2-CE2 3.64Å; H299-W323 AromaticContact NE2-CZ2 3.4Å; H299-W323 WeakPolarHBondContact NE2-CZ2 3.47Å; H299-W323 AromaticContact NE2-NE1 3.93Å; N321-W323 VanDerWaalsContact ND2-CD2 3.28Å; N321-W323 VanDerWaalsContact ND2-CZ3 3.28Å; N321-W323 WeakPolarHBondContact ND2-CZ3 3.5Å; W323-W327 HydrophobicContact CB-CB 4.1Å; W323-W327 HydrophobicContact CB-CG 4.29Å; W323-W327 AromaticContact CE3-CD1 3.75Å; W323-W327 AromaticContact CE3-CD2 3.63Å; W323-W327 HydrophobicContact CE3-CD2 3.63Å; W323-W327 AromaticContact CE3-CE2 3.43Å; W323-W327 VanDerWaalsContact CE3-CE2 3.43Å; W323-W327 HydrophobicContact CE3-CE3 4.27Å; W323-W327 AromaticContact CE3-CG 3.85Å; W323-W327 HydrophobicContact CE3-CG 3.85Å; W323-W327 HydrophobicContact CE3-CH2 4.47Å; W323-W327 AromaticContact CE3-CZ2 3.89Å; W323-W327 HydrophobicContact CE3-CZ2 3.89Å; W323-W327 AromaticContact CE3-NE1 3.52Å; W323-W327 HydrophobicContact CZ3-CD2 4.18Å; W323-W327 AromaticContact CZ3-CE2 3.51Å; W323-W327 HydrophobicContact CZ3-CH2 4.24Å; W323-W327 AromaticContact CZ3-CZ2 3.54Å; W323-W327 HydrophobicContact CZ3-CZ2 3.54Å; W323-W327 AromaticContact CZ3-NE1 3.64Å
324G98.2Very high98Very high7 Ų730.1 Ų30.17%0.07214%0.143CC..  trans70.817218000000114.3K149 T326 G331K149-G324 WeakPolarHBondContact O-CA 3.31Å; K149-G324 PolarHBondContact O-N 2.69Å; G324-T326 VanDerWaalsContact C-N 3.28Å; G324-T326 PolarHBondContact O-N 2.69Å; G324-G331 WeakPolarHBondContact O-CA 3.41Å
325K98Very high98.2Very high121 Ų12128.7 Ų28.753%0.52614%0.137SC..THydrogen-bonded Turntrans-76.4-15.6-173.3-65.7176.4-177.31740113.8V148 W327 Q330V148-K325 HydrophobicContact CB-CG 3.96Å; V148-K325 HydrophobicContact CG1-CG 4.18Å; K325-W327 VanDerWaalsContact C-N 3.31Å; K325-Q330 WeakPolarHBondContact O-CA 3.31Å
326T96.7Very high98.1Very high72 Ų7225.8 Ų25.844%0.44213%0.125SC..THydrogen-bonded Turntrans-79.9-15.2-179.545.80000113.1F51 Q92 G324F51-T326 HydrophobicContact CE1-CG2 3.85Å; Q92-T326 PolarHBondContact NE2-OG1 2.96Å; Q92-T326 PolarHBondContact OE1-OG1 3.22Å; G324-T326 VanDerWaalsContact C-N 3.28Å; G324-T326 PolarHBondContact O-N 2.69Å
327W98.5Very high98.1Very high0 Ų025 Ų250%012%0.122CC..SBendtrans-93147.3170-177.892.3000111.4N91 F93 F278 Q279 Y281 N321 W323 K325 G331 I333N91-W327 VanDerWaalsContact ND2-CD1 3.31Å; F93-W327 AromaticContact CD2-CD1 3.96Å; F93-W327 HydrophobicContact CE2-CB 4.34Å; F93-W327 AromaticContact CE2-CD1 3.69Å; F93-W327 HydrophobicContact CE2-CG 4.24Å; F278-W327 AromaticContact CD1-CZ2 3.87Å; F278-W327 HydrophobicContact CD1-CZ2 3.87Å; F278-W327 AromaticContact CE1-CH2 3.9Å; F278-W327 HydrophobicContact CE1-CH2 3.9Å; F278-W327 AromaticContact CE1-CZ2 3.68Å; F278-W327 HydrophobicContact CE1-CZ2 3.68Å; F278-W327 HydrophobicContact CZ-CH2 4.35Å; F278-W327 HydrophobicContact CZ-CZ2 4.49Å; F278-W327 WeakPolarHBondContact O-CZ2 3.27Å; F278-W327 PolarHBondContact O-NE1 3.12Å; Q279-W327 PolarHBondContact O-NE1 2.98Å; Q279-W327 VanDerWaalsContact O-NE1 3.07Å; Y281-W327 AromaticContact CD1-CH2 3.99Å; Y281-W327 HydrophobicContact CD1-CH2 3.99Å; Y281-W327 HydrophobicContact CD1-CZ2 4.14Å; Y281-W327 HydrophobicContact CD1-CZ3 4.35Å; Y281-W327 HydrophobicContact CG-CZ2 4.44Å; N321-W327 HydrophobicContact CB-CE3 4.02Å; N321-W327 HydrophobicContact CB-CH2 4.41Å; N321-W327 HydrophobicContact CB-CZ3 3.62Å; N321-W327 VanDerWaalsContact ND2-CE3 3.29Å; N321-W327 VanDerWaalsContact ND2-CH2 3.27Å; N321-W327 WeakPolarHBondContact ND2-CH2 3.46Å; N321-W327 WeakPolarHBondContact ND2-CZ3 3.21Å; W323-W327 HydrophobicContact CB-CB 4.1Å; W323-W327 HydrophobicContact CB-CG 4.29Å; W323-W327 AromaticContact CE3-CD1 3.75Å; W323-W327 AromaticContact CE3-CD2 3.63Å; W323-W327 HydrophobicContact CE3-CD2 3.63Å; W323-W327 AromaticContact CE3-CE2 3.43Å; W323-W327 VanDerWaalsContact CE3-CE2 3.43Å; W323-W327 HydrophobicContact CE3-CE3 4.27Å; W323-W327 AromaticContact CE3-CG 3.85Å; W323-W327 HydrophobicContact CE3-CG 3.85Å; W323-W327 HydrophobicContact CE3-CH2 4.47Å; W323-W327 AromaticContact CE3-CZ2 3.89Å; W323-W327 HydrophobicContact CE3-CZ2 3.89Å; W323-W327 AromaticContact CE3-NE1 3.52Å; W323-W327 HydrophobicContact CZ3-CD2 4.18Å; W323-W327 AromaticContact CZ3-CE2 3.51Å; W323-W327 HydrophobicContact CZ3-CH2 4.24Å; W323-W327 AromaticContact CZ3-CZ2 3.54Å; W323-W327 HydrophobicContact CZ3-CZ2 3.54Å; W323-W327 AromaticContact CZ3-NE1 3.64Å; K325-W327 VanDerWaalsContact C-N 3.31Å; W327-G331 VanDerWaalsContact O-CA 3.25Å; W327-G331 WeakPolarHBondContact O-CA 3.22Å; W327-G331 PolarHBondContact O-N 3.05Å; W327-I333 HydrophobicContact CH2-CB 3.73Å; W327-I333 HydrophobicContact CH2-CD1 4.05Å; W327-I333 HydrophobicContact CH2-CG1 4.45Å; W327-I333 HydrophobicContact CH2-CG2 4.05Å; W327-I333 HydrophobicContact CZ3-CB 4.04Å; W327-I333 HydrophobicContact CZ3-CG2 4.38Å
328G98.4Very high97.9Very high1 Ų128.5 Ų28.51%0.0114%0.141CC..THydrogen-bonded Turntrans56.8-156.7175.900000113.6R89 Y281 G282 Q330R89-G328 PolarHBondContact NH2-O 3.13Å; Y281-G328 VanDerWaalsContact CD1-CA 3.49Å; Y281-G328 VanDerWaalsContact O-CA 3.28Å; Y281-G328 WeakPolarHBondContact O-CA 3.44Å; Y281-G328 PolarHBondContact O-N 3.25Å; Y281-G328 VanDerWaalsContact O-N 3.11Å; G282-G328 CarbonylContact O-C 3.57Å; G282-G328 VanDerWaalsContact O-O 3.11Å; G328-Q330 PolarHBondContact O-N 3.29Å; G328-Q330 VanDerWaalsContact O-N 3.08Å
329Q97.6Very high97.6Very high83 Ų8330.1 Ų30.139%0.38815%0.151SC..BIsolated β-bridgetrans-83.882177.2-174.1167.8-10.400109.4G282 G331 Y332G282-Q329 PolarHBondContact O-N 3.38Å; G282-Q329 VanDerWaalsContact O-N 3.11Å; Q329-G331 VanDerWaalsContact C-N 3.27Å; Q329-G331 PolarHBondContact O-N 3.42Å; Q329-Y332 PolarHBondContact N-O 3.02Å; Q329-Y332 PolarHBondContact O-N 3.28Å
330Q97.7Very high97.2Very high126 Ų12635.4 Ų35.459%0.58919%0.194SC*.THydrogen-bonded Turntrans58.238.4-176-58.9-65.4-34.500112.5V148 K325 G328 Y332V148-Q330 WeakPolarHBondContact CG2-O 3.36Å; K325-Q330 WeakPolarHBondContact O-CA 3.31Å; G328-Q330 PolarHBondContact O-N 3.29Å; G328-Q330 VanDerWaalsContact O-N 3.08Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.46Å
331G98.5Very high96.9Very high0 Ų037.1 Ų37.10%021%0.208CC..THydrogen-bonded Turntrans87.48-177.500000115.8N321 G324 W327 Q329N321-G331 WeakPolarHBondContact CB-O 3.33Å; N321-G331 PolarHBondContact N-O 3.49Å; G324-G331 WeakPolarHBondContact O-CA 3.41Å; W327-G331 VanDerWaalsContact O-CA 3.25Å; W327-G331 WeakPolarHBondContact O-CA 3.22Å; W327-G331 PolarHBondContact O-N 3.05Å; Q329-G331 VanDerWaalsContact C-N 3.27Å; Q329-G331 PolarHBondContact O-N 3.42Å
332Y98.8Very high96.4Very high22 Ų2240.5 Ų40.59%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-113154.9175.5-63-92.3000111.1R140 V148 Y281 V304 I318 A319 K320 Q329 Q330R140-Y332 VanDerWaalsContact CD-CZ 3.49Å; R140-Y332 HydrophobicContact CG-CE1 4.31Å; V148-Y332 HydrophobicContact CG2-CD2 4.07Å; V148-Y332 HydrophobicContact CG2-CE2 3.43Å; V148-Y332 VanDerWaalsContact CG2-CE2 3.43Å; Y281-Y332 WeakPolarHBondContact CE1-O 3.26Å; V304-Y332 HydrophobicContact CG2-CD1 4.25Å; V304-Y332 HydrophobicContact CG2-CE1 3.93Å; I318-Y332 HydrophobicContact CG2-CD1 4.1Å; A319-Y332 CarbonylContact O-C 3.45Å; A319-Y332 VanDerWaalsContact O-CA 3.25Å; A319-Y332 WeakPolarHBondContact O-CA 3.36Å; K320-Y332 HydrophobicContact CB-CD1 4Å; K320-Y332 HydrophobicContact CB-CE1 3.6Å; K320-Y332 HydrophobicContact CD-CE1 4.43Å; K320-Y332 HydrophobicContact CG-CD1 4.41Å; K320-Y332 HydrophobicContact CG-CE1 3.76Å; Q329-Y332 PolarHBondContact N-O 3.02Å; Q329-Y332 PolarHBondContact O-N 3.28Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.46Å
333I98.6Very high96.1Very high0 Ų043.8 Ų43.80%025%0.245CC..EExtended strand (participates in β ladder)trans-122.3138.4167.2-177.8162.4000110.3F278 Y281 F286 A319 W327 L335F278-I333 HydrophobicContact CD2-CD1 4.11Å; F278-I333 HydrophobicContact CE2-CD1 3.68Å; F278-I333 HydrophobicContact CZ-CD1 3.9Å; Y281-I333 HydrophobicContact CD1-CB 3.93Å; Y281-I333 HydrophobicContact CD1-CD1 3.88Å; Y281-I333 HydrophobicContact CD1-CG1 3.77Å; Y281-I333 HydrophobicContact CD2-CD1 4.03Å; Y281-I333 HydrophobicContact CD2-CG1 4.2Å; Y281-I333 HydrophobicContact CE1-CB 3.74Å; Y281-I333 HydrophobicContact CE1-CD1 4.26Å; Y281-I333 HydrophobicContact CE1-CG1 3.63Å; Y281-I333 HydrophobicContact CE2-CD1 4.34Å; Y281-I333 HydrophobicContact CE2-CG1 4.02Å; Y281-I333 HydrophobicContact CG-CD1 3.77Å; Y281-I333 HydrophobicContact CG-CG1 4.06Å; F286-I333 HydrophobicContact CB-CD1 4Å; F286-I333 HydrophobicContact CB-CG1 4.17Å; F286-I333 HydrophobicContact CD1-CD1 4.13Å; F286-I333 HydrophobicContact CG-CD1 4.04Å; A319-I333 HydrophobicContact CB-CG2 3.83Å; A319-I333 PolarHBondContact N-O 3.47Å; A319-I333 PolarHBondContact O-N 3.5Å; W327-I333 HydrophobicContact CH2-CB 3.73Å; W327-I333 HydrophobicContact CH2-CD1 4.05Å; W327-I333 HydrophobicContact CH2-CG1 4.45Å; W327-I333 HydrophobicContact CH2-CG2 4.05Å; W327-I333 HydrophobicContact CZ3-CB 4.04Å; W327-I333 HydrophobicContact CZ3-CG2 4.38Å; I333-L335 HydrophobicContact CD1-CD2 3.71Å; I333-L335 HydrophobicContact CD1-CG 4.49Å; I333-L335 HydrophobicContact CG1-CD2 3.87Å; I333-L335 HydrophobicContact CG1-CG 4.16Å; I333-L335 HydrophobicContact CG2-CD1 4.45Å; I333-L335 HydrophobicContact CG2-CD2 4.45Å; I333-L335 HydrophobicContact CG2-CG 4.22Å
334L98.1Very high95.9Very high19 Ų1944 Ų4410%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-93.5113.4168.7-50.3-175.3000107.5Y281 F286 Y316 W317 I318Y281-L334 PolarHBondContact OH-N 3.02Å; F286-L334 VanDerWaalsContact CB-O 3.27Å; F286-L334 WeakPolarHBondContact CB-O 3.31Å; F286-L334 PolarHBondContact N-O 2.94Å; Y316-L334 HydrophobicContact CD2-CB 4.11Å; Y316-L334 HydrophobicContact CD2-CD1 4.23Å; Y316-L334 HydrophobicContact CD2-CD2 3.8Å; Y316-L334 HydrophobicContact CD2-CG 4.26Å; Y316-L334 HydrophobicContact CE2-CD1 4.17Å; Y316-L334 HydrophobicContact CE2-CD2 3.88Å; Y316-L334 HydrophobicContact CG-CB 4.25Å; W317-L334 VanDerWaalsContact O-CA 3.25Å; W317-L334 WeakPolarHBondContact O-CA 3.43Å; I318-L334 HydrophobicContact CB-CD2 4.49Å; I318-L334 HydrophobicContact CG1-CD2 4.04Å; I318-L334 HydrophobicContact CG2-CD2 4.43Å
335L97.6Very high95.8Very high0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-103.1135.4178.4-62.6166.7000108.4V271 F278 F286 Y316 W317 A319 I333 K337 T345 L348V271-L335 HydrophobicContact CG1-CD1 3.95Å; F278-L335 HydrophobicContact CE2-CD2 4.31Å; F286-L335 HydrophobicContact CB-CD2 4.32Å; F286-L335 HydrophobicContact CD1-CD2 3.96Å; Y316-L335 CarbonylContact C-O 3Å; Y316-L335 WeakPolarHBondContact CA-O 3.48Å; Y316-L335 WeakPolarHBondContact CB-O 3.41Å; W317-L335 HydrophobicContact CB-CB 4.32Å; W317-L335 PolarHBondContact N-O 3.14Å; W317-L335 PolarHBondContact O-N 3.49Å; W317-L335 VanDerWaalsContact O-N 3.08Å; A319-L335 HydrophobicContact CB-CD1 4.31Å; I333-L335 HydrophobicContact CD1-CD2 3.71Å; I333-L335 HydrophobicContact CD1-CG 4.49Å; I333-L335 HydrophobicContact CG1-CD2 3.87Å; I333-L335 HydrophobicContact CG1-CG 4.16Å; I333-L335 HydrophobicContact CG2-CD1 4.45Å; I333-L335 HydrophobicContact CG2-CD2 4.45Å; I333-L335 HydrophobicContact CG2-CG 4.22Å; L335-K337 PolarHBondContact O-N 3.28Å; L335-T345 HydrophobicContact CB-CG2 4.08Å; L335-T345 HydrophobicContact CD2-CG2 4.05Å; L335-L348 HydrophobicContact CB-CD2 4.02Å; L335-L348 HydrophobicContact CD1-CD2 3.82Å
336E96Very high95.7Very high26 Ų2638.4 Ų38.412%0.12122%0.222CC..EExtended strand (participates in β ladder)trans-55.9139.1178-169.9170.5-139.800111.2Y84 V285 F286 K314 V339 T345Y84-E336 VanDerWaalsContact CE1-CD 3.4Å; Y84-E336 HydrophobicContact CE1-CG 4.41Å; Y84-E336 VanDerWaalsContact CE1-OE1 3.29Å; Y84-E336 WeakPolarHBondContact CE1-OE1 3.32Å; Y84-E336 WeakPolarHBondContact CE1-OE2 3.4Å; Y84-E336 VanDerWaalsContact CZ-OE2 3.24Å; Y84-E336 PolarHBondContact OH-OE1 2.97Å; Y84-E336 PolarHBondContact OH-OE2 2.89Å; V285-E336 HydrophobicContact CG1-CB 3.85Å; V285-E336 HydrophobicContact CG1-CG 4.34Å; F286-E336 PolarHBondContact O-N 3.43Å; K314-E336 IonicContact NZ-OE1 3.86Å; K314-E336 PolarHBondContact NZ-OE1 2.78Å; E336-V339 HydrophobicContact CB-CG1 3.97Å; E336-V339 HydrophobicContact CG-CG1 3.72Å; E336-T345 WeakPolarHBondContact O-CB 3.38Å; E336-T345 PolarHBondContact O-OG1 2.81Å
337K96.7Very high95.5Very high21 Ų2135 Ų359%0.09120%0.201CC..  trans-116.1152.9-178.6175.5178.5-173.8-45.80110E255 Y306 K315 W317 L335 V339E255-K337 WeakPolarHBondContact OE2-CG 3.38Å; Y306-K337 HydrophobicContact CD2-CD 4.48Å; Y306-K337 HydrophobicContact CG-CD 4.24Å; K315-K337 HydrophobicContact CB-CB 3.96Å; K315-K337 HydrophobicContact CB-CD 4.48Å; K315-K337 HydrophobicContact CB-CG 4.32Å; K315-K337 PolarHBondContact O-N 2.91Å; W317-K337 HydrophobicContact CD2-CB 4.32Å; W317-K337 HydrophobicContact CD2-CD 4Å; W317-K337 HydrophobicContact CD2-CG 4.17Å; W317-K337 HydrophobicContact CE3-CD 4.25Å; W317-K337 HydrophobicContact CG-CB 4.18Å; W317-K337 HydrophobicContact CH2-CD 4.04Å; W317-K337 VanDerWaalsContact CH2-CE 3.46Å; W317-K337 HydrophobicContact CH2-CG 4.48Å; W317-K337 HydrophobicContact CZ2-CD 3.76Å; W317-K337 HydrophobicContact CZ2-CG 3.72Å; W317-K337 HydrophobicContact CZ3-CD 4.26Å; L335-K337 PolarHBondContact O-N 3.28Å; K337-V339 VanDerWaalsContact C-N 3.34Å
338D94.6Very high95.4Very high74 Ų7435 Ų3540%0.39620%0.201SC..SBendtrans62.939.6-176.7-60.8-25.1000111.7E255 K315E255-D338 WeakPolarHBondContact OE2-CA 3.13Å; E255-D338 PolarHBondContact OE2-N 3.43Å; K315-D338 HydrophobicContact CD-CB 4.47Å; K315-D338 WeakPolarHBondContact CD-OD2 3.44Å; K315-D338 WeakPolarHBondContact CE-OD2 3.27Å; K315-D338 IonicContact NZ-OD2 3.97Å; K315-D338 PolarHBondContact NZ-OD2 3Å
339V93Very high95.2Very high36 Ų3635 Ų3522%0.21820%0.202CC..  trans-74.1155.2175.9-61.40000111.5E336 K337 S341 T345E336-V339 HydrophobicContact CB-CG1 3.97Å; E336-V339 HydrophobicContact CG-CG1 3.72Å; K337-V339 VanDerWaalsContact C-N 3.34Å; V339-S341 PolarHBondContact O-N 2.97Å; V339-T345 WeakPolarHBondContact CG1-OG1 3.3Å
340A90.7Very high94.9Very high111 Ų11134 Ų3492%0.91720%0.2SC*.SBendtrans-68-23.3179.800000113.6
341S91.4Very high94.6Very high51 Ų5129.7 Ų29.736%0.35719%0.185SC..SBendtrans-68.5127.8178177.80000110.2V339 H343 G344V339-S341 PolarHBondContact O-N 2.97Å; S341-H343 PolarHBondContact O-N 3.29Å; S341-H343 VanDerWaalsContact O-N 3.14Å; S341-H343 PolarHBondContact OG-N 2.88Å; S341-G344 PolarHBondContact O-N 3.02Å
342P89.6Confident94.4Very high76 Ų7629.8 Ų29.849%0.49419%0.185SC..THydrogen-bonded Turntrans-62.2-22.1174.726.5-34.1000111.9A253 G344A253-P342 WeakPolarHBondContact CA-O 3.45Å; A253-P342 HydrophobicContact CB-CB 3.85Å; A253-P342 WeakPolarHBondContact CB-O 3.33Å; P342-G344 PolarHBondContact O-N 3.4Å
343H91.9Very high94.2Very high73 Ų7329.5 Ų29.534%0.33818%0.184SC..THydrogen-bonded Turntrans-76.1-9.9178.4-56.6-66.8000113.3P295 S341 G347 L348 A349 V350P295-H343 HydrophobicContact CG-CB 3.76Å; S341-H343 PolarHBondContact O-N 3.29Å; S341-H343 VanDerWaalsContact O-N 3.14Å; S341-H343 PolarHBondContact OG-N 2.88Å; H343-G347 CarbonylContact O-C 3.45Å; H343-G347 WeakPolarHBondContact O-CA 3.49Å; H343-L348 PolarHBondContact O-N 2.89Å; H343-A349 WeakPolarHBondContact O-CB 3.49Å; H343-A349 PolarHBondContact O-N 3.06Å; H343-V350 HydrophobicContact CB-CG2 3.8Å; H343-V350 WeakPolarHBondContact ND1-CG2 3.34Å
344G94.4Very high94.1Very high4 Ų430.6 Ų30.64%0.04119%0.189CC..  trans67.1174.9-167.900000112.4E255 S341 P342 C346 G347E255-G344 WeakPolarHBondContact OE1-CA 3.4Å; S341-G344 PolarHBondContact O-N 3.02Å; P342-G344 PolarHBondContact O-N 3.4Å; G344-C346 PolarHBondContact O-N 2.87Å; G344-G347 PolarHBondContact O-N 3.35Å; G344-G347 VanDerWaalsContact O-N 3.14Å
345T95.4Very high94.1Very high6 Ų629.7 Ų29.74%0.03718%0.184CC..G310 helixtrans-60.8129177.9-60.30000110.6L335 E336 V339 G347 L348L335-T345 HydrophobicContact CB-CG2 4.08Å; L335-T345 HydrophobicContact CD2-CG2 4.05Å; E336-T345 WeakPolarHBondContact O-CB 3.38Å; E336-T345 PolarHBondContact O-OG1 2.81Å; V339-T345 WeakPolarHBondContact CG1-OG1 3.3Å; T345-G347 PolarHBondContact O-N 2.92Å; T345-L348 WeakPolarHBondContact O-CB 3.36Å; T345-L348 VanDerWaalsContact O-CD2 3.3Å; T345-L348 WeakPolarHBondContact O-CD2 3.48Å; T345-L348 WeakPolarHBondContact O-CG 3.45Å; T345-L348 PolarHBondContact O-N 3.48Å; T345-L348 VanDerWaalsContact O-N 3.14Å
346C95Very high94Very high5 Ų530.5 Ų30.53%0.03419%0.189CC..G310 helixtrans55.714.3-175.9-64.60000115.2V271 D272 G344V271-C346 CarbonylContact C-O 3.53Å; V271-C346 WeakPolarHBondContact CA-O 3.41Å; V271-C346 HydrophobicContact CB-CB 3.93Å; V271-C346 HydrophobicContact CG1-CB 4.25Å; D272-C346 HydrophobicContact CB-CB 4.44Å; D272-C346 PolarHBondContact N-O 2.91Å; G344-C346 PolarHBondContact O-N 2.87Å
347G93.7Very high93.6Very high1 Ų134.7 Ų34.71%0.0122%0.216CC..G310 helixtrans87.59.1-177.300000115.6Y270 H343 G344 T345 A349 V350Y270-G347 CarbonylContact O-C 3.51Å; H343-G347 CarbonylContact O-C 3.45Å; H343-G347 WeakPolarHBondContact O-CA 3.49Å; G344-G347 PolarHBondContact O-N 3.35Å; G344-G347 VanDerWaalsContact O-N 3.14Å; T345-G347 PolarHBondContact O-N 2.92Å; G347-A349 PolarHBondContact O-N 3.07Å; G347-V350 WeakPolarHBondContact O-CB 3.39Å; G347-V350 WeakPolarHBondContact O-CG2 3.07Å; G347-V350 PolarHBondContact O-N 3.04Å
348L95.6Very high93.5Very high0 Ų035.4 Ų35.40%022%0.222CC..THydrogen-bonded Turntrans-56.8-23.1-175.769.184.1000114.8L258 A269 Y270 V271 W317 L335 H343 T345L258-L348 HydrophobicContact CD2-CD1 3.37Å; A269-L348 HydrophobicContact CB-CB 4.2Å; Y270-L348 WeakPolarHBondContact O-CA 3.44Å; Y270-L348 PolarHBondContact O-N 3.41Å; V271-L348 HydrophobicContact CG1-CB 4.04Å; W317-L348 VanDerWaalsContact CD1-CD2 3.42Å; W317-L348 HydrophobicContact CG-CD2 4.12Å; L335-L348 HydrophobicContact CB-CD2 4.02Å; L335-L348 HydrophobicContact CD1-CD2 3.82Å; H343-L348 PolarHBondContact O-N 2.89Å; T345-L348 WeakPolarHBondContact O-CB 3.36Å; T345-L348 VanDerWaalsContact O-CD2 3.3Å; T345-L348 WeakPolarHBondContact O-CD2 3.48Å; T345-L348 WeakPolarHBondContact O-CG 3.45Å; T345-L348 PolarHBondContact O-N 3.48Å; T345-L348 VanDerWaalsContact O-N 3.14Å
349A93.9Very high93.4Very high2 Ų233.3 Ų33.32%0.01721%0.213CC..THydrogen-bonded Turntrans-94.13.4-177.600000113.2P252 A253 E255 L258 H343 G347P252-A349 WeakPolarHBondContact CA-O 3.34Å; A253-A349 PolarHBondContact N-O 3.17Å; E255-A349 HydrophobicContact CG-CB 4.07Å; L258-A349 HydrophobicContact CD2-CB 4.49Å; H343-A349 WeakPolarHBondContact O-CB 3.49Å; H343-A349 PolarHBondContact O-N 3.06Å; G347-A349 PolarHBondContact O-N 3.07Å
350V91.7Very high93.4Very high60 Ų6033.2 Ų33.236%0.36421%0.213SC..SBendtrans-78.1-42.3-176.1175.30000112.5P252 H343 G347P252-V350 VanDerWaalsContact CB-O 3.3Å; P252-V350 WeakPolarHBondContact CB-O 3.49Å; H343-V350 HydrophobicContact CB-CG2 3.8Å; H343-V350 WeakPolarHBondContact ND1-CG2 3.34Å; G347-V350 WeakPolarHBondContact O-CB 3.39Å; G347-V350 WeakPolarHBondContact O-CG2 3.07Å; G347-V350 PolarHBondContact O-N 3.04Å
351S91.6Very high93.6Very high37 Ų3728.6 Ų28.626%0.25917%0.171SC..SBendtrans-151.669.4-176.7-169.70000111.8F353S351-F353 WeakPolarHBondContact OG-CE2 3.42Å
352P94.4Very high93.7Very high1 Ų127.2 Ų27.21%0.00616%0.16CC..  trans-87.2140.2176.85.314.4000111.4V250 L258 V267 T268V250-P352 HydrophobicContact CB-CB 4.04Å; V250-P352 HydrophobicContact CB-CG 3.88Å; V250-P352 HydrophobicContact CG1-CG 4.36Å; V250-P352 HydrophobicContact CG2-CB 4.08Å; V250-P352 HydrophobicContact CG2-CG 4.45Å; V250-P352 PolarHBondContact N-O 3.19Å; L258-P352 HydrophobicContact CD1-CB 3.54Å; L258-P352 HydrophobicContact CD1-CG 3.79Å; L258-P352 HydrophobicContact CD2-CG 4.23Å; V267-P352 HydrophobicContact CG1-CB 4.01Å; T268-P352 WeakPolarHBondContact O-CA 3.43Å; T268-P352 WeakPolarHBondContact O-CB 3.5Å
353F95Very high94Very high17 Ų1723.9 Ų23.98%0.07514%0.137CC..EExtended strand (participates in β ladder)trans-128.1153.4176.7-65-94000112D204 F207 Y247 R248 A249 V267 T268 Y270 S351D204-F353 HydrophobicContact CB-CD1 4.22Å; D204-F353 HydrophobicContact CB-CE1 4.02Å; D204-F353 HydrophobicContact CB-CE2 4.36Å; D204-F353 HydrophobicContact CB-CG 4.46Å; D204-F353 HydrophobicContact CB-CZ 4.1Å; F207-F353 HydrophobicContact CD2-CB 4.47Å; F207-F353 HydrophobicContact CE2-CB 3.94Å; Y247-F353 HydrophobicContact CD2-CD1 4.1Å; Y247-F353 HydrophobicContact CE2-CD1 4.46Å; R248-F353 WeakPolarHBondContact O-CA 3.47Å; A249-F353 HydrophobicContact CB-CD1 3.87Å; A249-F353 HydrophobicContact CB-CE1 3.6Å; A249-F353 HydrophobicContact CB-CZ 4.31Å; V267-F353 CarbonylContact C-O 3.59Å; V267-F353 VanDerWaalsContact CG1-O 3.22Å; V267-F353 WeakPolarHBondContact CG1-O 3.32Å; T268-F353 PolarHBondContact N-O 3.3Å; T268-F353 PolarHBondContact O-N 3.15Å; T268-F353 PolarHBondContact OG1-N 3.33Å; T268-F353 PolarHBondContact OG1-O 3.49Å; T268-F353 VanDerWaalsContact OG1-O 3.14Å; Y270-F353 HydrophobicContact CE2-CE2 4.39Å; S351-F353 WeakPolarHBondContact OG-CE2 3.42Å
354Y96.8Very high94.1Very high22 Ų2220.4 Ų20.49%0.08612%0.123CC..EExtended strand (participates in β ladder)trans-138.5142.2170.160.8-83.3000111.1Y247 R248 V250 A261 T356Y247-Y354 CarbonylContact C-O 3.41Å; Y247-Y354 VanDerWaalsContact CA-O 3.31Å; Y247-Y354 WeakPolarHBondContact CA-O 3.44Å; R248-Y354 HydrophobicContact CB-CE1 3.9Å; R248-Y354 HydrophobicContact CB-CE2 4.08Å; R248-Y354 WeakPolarHBondContact CD-OH 3.32Å; R248-Y354 PolarHBondContact N-O 3.21Å; R248-Y354 PolarHBondContact O-N 3.36Å; V250-Y354 HydrophobicContact CG2-CD1 3.73Å; V250-Y354 HydrophobicContact CG2-CE1 3.81Å; A261-Y354 HydrophobicContact CB-CD1 4.19Å; A261-Y354 HydrophobicContact CB-CE1 4.27Å; Y354-T356 HydrophobicContact CD2-CG2 3.99Å; Y354-T356 HydrophobicContact CE2-CG2 3.71Å
355P96.8Very high94.1Very high0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-69.5154.2173.728.4-32.3000110.6A165 M166 L169 F207 V244 Q265A165-P355 HydrophobicContact CB-CG 4.18Å; M166-P355 HydrophobicContact CG-CB 4.17Å; M166-P355 HydrophobicContact CG-CG 4.09Å; L169-P355 HydrophobicContact CB-CG 4.16Å; L169-P355 HydrophobicContact CD2-CB 3.78Å; L169-P355 HydrophobicContact CD2-CG 3.84Å; F207-P355 HydrophobicContact CD1-CB 4.14Å; F207-P355 HydrophobicContact CE1-CB 4.01Å; F207-P355 HydrophobicContact CE1-CG 4.02Å; F207-P355 HydrophobicContact CZ-CB 4.49Å; F207-P355 HydrophobicContact CZ-CG 4.31Å; V244-P355 HydrophobicContact CB-CB 4.31Å; V244-P355 HydrophobicContact CG1-CB 3.92Å; Q265-P355 PolarHBondContact NE2-O 2.94Å
356T95.4Very high94Very high18 Ų1823 Ų2311%0.1114%0.137CC..EExtended strand (participates in β ladder)trans-125.8158.517656.60000111V244 G245 G246 Y247 R248 Y354V244-T356 CarbonylContact C-O 3.48Å; G245-T356 PolarHBondContact N-O 3.09Å; G246-T356 WeakPolarHBondContact CA-OG1 3.42Å; G246-T356 PolarHBondContact N-O 3.4Å; G246-T356 PolarHBondContact O-N 3.29Å; G246-T356 PolarHBondContact O-OG1 3.06Å; Y247-T356 PolarHBondContact N-OG1 3.48Å; R248-T356 HydrophobicContact CB-CG2 4.48Å; R248-T356 HydrophobicContact CG-CG2 3.88Å; Y354-T356 HydrophobicContact CD2-CG2 3.99Å; Y354-T356 HydrophobicContact CE2-CG2 3.71Å
357V88.3Confident93.9Very high113 Ų11324.6 Ų24.669%0.68515%0.147SC*.  trans-90.40173.3-71.80000111.9L169 R173 G245L169-V357 HydrophobicContact CD1-CG1 4.3Å; L169-V357 HydrophobicContact CD2-CG1 4.23Å; L169-V357 HydrophobicContact CG-CG1 4.37Å; R173-V357 HydrophobicContact CB-CG1 4.42Å; R173-V357 HydrophobicContact CG-CG1 3.68Å; G245-V357 WeakPolarHBondContact CA-OXT 3.39Å

Retrieved 357 of 357 residues in 1458.4 ms (Link to these results)

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