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3-oxo-5-alpha-steroid 4-dehydrogenase 2

Converts testosterone (T) into 5-alpha-dihydrotestosterone (DHT) and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession Q99N99, Species MOUSE (Mus musculus, Mouse), Gene Srd5a2, Length 254 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
1M40.4Very low82.7Confident229 Ų22999.5 Ų99.5100%1.12855%0.546SS*.  0130.20-67.5174.4176.200107.1I3M1-I3 PolarHBondContact O-N 3.39Å
2P63.6Low83.9Confident122 Ų12295.6 Ų95.679%0.79254%0.536SS*.  trans-59.2124.8172.225.7-31000107.7V4P2-V4 PolarHBondContact O-N 3.41Å; P2-V4 VanDerWaalsContact O-N 3.17Å
3I71.4Confident84.9Confident109 Ų10990 Ų9056%0.55951%0.513SS*.  trans-67.7115.5176.6-67.6167.2000106.3M1 Y132M1-I3 PolarHBondContact O-N 3.39Å; I3-Y132 HydrophobicContact CB-CD1 3.79Å; I3-Y132 HydrophobicContact CB-CE1 3.82Å; I3-Y132 HydrophobicContact CD1-CD1 4.38Å; I3-Y132 HydrophobicContact CD1-CE1 3.51Å; I3-Y132 HydrophobicContact CG1-CE1 4.25Å; I3-Y132 HydrophobicContact CG2-CD1 3.53Å; I3-Y132 HydrophobicContact CG2-CE1 3.71Å; I3-Y132 HydrophobicContact CG2-CG 4.18Å
4V80.2Confident85.7Confident102 Ų10283.9 Ų83.962%0.61848%0.479SS*.  trans-75.5132-179.7179.70000108.8P2 H6P2-V4 PolarHBondContact O-N 3.41Å; P2-V4 VanDerWaalsContact O-N 3.17Å; V4-H6 PolarHBondContact O-N 3.28Å
5C90.4Very high86.5Confident28 Ų2881.8 Ų81.819%0.18948%0.476CS..  trans-63.5121.7171.1173.40000110.8Q7 Y132 C133C5-Q7 PolarHBondContact O-N 3.17Å; C5-Q7 VanDerWaalsContact SG-CD 3.58Å; C5-Q7 PolarHBondContact SG-NE2 3.44Å; C5-Y132 WeakPolarHBondContact CB-O 3.39Å; C5-C133 HydrophobicContact CB-CB 3.83Å; C5-C133 WeakPolarHBondContact CB-SG 3.48Å; C5-C133 WeakPolarHBondContact SG-CB 3.28Å; C5-C133 CovalentContact SG-SG 2.02Å; C5-C133 PolarHBondContact SG-SG 3.43Å
6H91.7Very high87.1Confident119 Ų11981.6 Ų81.655%0.55148%0.476SS*.  trans-88.1100.1168.1-65.4-73000109.4V4 V8 P9 Y128V4-H6 PolarHBondContact O-N 3.28Å; H6-V8 VanDerWaalsContact C-N 3.3Å; H6-V8 PolarHBondContact O-N 3.37Å; H6-P9 HydrophobicContact CB-CG 4.17Å; H6-P9 WeakPolarHBondContact O-CD 3.28Å; H6-Y128 PolarHBondContact N-OH 3.36Å
7Q91.8Very high87.6Confident93 Ų9377.4 Ų77.444%0.43545%0.451SS..Hα-helixtrans-66.9-28.2-178.5-67.8-68.5-18.700113.4C5 V10 L11C5-Q7 PolarHBondContact O-N 3.17Å; C5-Q7 VanDerWaalsContact SG-CD 3.58Å; C5-Q7 PolarHBondContact SG-NE2 3.44Å; Q7-V10 WeakPolarHBondContact O-CB 3.42Å; Q7-V10 PolarHBondContact O-N 2.97Å; Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 2.02Å
8V94.1Very high88.1Confident117 Ų11774.8 Ų74.871%0.70944%0.441SS*.Hα-helixtrans-62.1-52.1-176.61740000112.2H6 V10 L11 A12H6-V8 VanDerWaalsContact C-N 3.3Å; H6-V8 PolarHBondContact O-N 3.37Å; V8-V10 VanDerWaalsContact C-N 3.29Å; V8-V10 PolarHBondContact O-N 2.85Å; V8-L11 PolarHBondContact O-N 3.13Å; V8-A12 WeakPolarHBondContact O-CB 3.08Å; V8-A12 PolarHBondContact O-N 2.93Å
9P94.4Very high88.5Confident79 Ų7974.9 Ų74.951%0.51344%0.442SS..Hα-helixtrans-57.2-37.3172.6-27.133000114.5H6 A12 G13H6-P9 HydrophobicContact CB-CG 4.17Å; H6-P9 WeakPolarHBondContact O-CD 3.28Å; P9-A12 PolarHBondContact O-N 3.47Å; P9-G13 PolarHBondContact O-N 3.36Å
10V95.2Very high88.8Confident1 Ų174.8 Ų74.81%0.00644%0.438CS..Hα-helixtrans-63.4-49.6179.1172.10000110.7Q7 V8 G13 S14 L125 Y128 Y129 P212Q7-V10 WeakPolarHBondContact O-CB 3.42Å; Q7-V10 PolarHBondContact O-N 2.97Å; V8-V10 VanDerWaalsContact C-N 3.29Å; V8-V10 PolarHBondContact O-N 2.85Å; V10-G13 PolarHBondContact O-N 2.74Å; V10-S14 WeakPolarHBondContact O-CB 3.39Å; V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.41Å; V10-L125 HydrophobicContact CB-CD1 4.44Å; V10-L125 HydrophobicContact CG1-CD1 4.36Å; V10-Y128 HydrophobicContact CG2-CD1 3.85Å; V10-Y128 HydrophobicContact CG2-CE1 3.86Å; V10-Y129 HydrophobicContact CB-CD2 4.44Å; V10-Y129 HydrophobicContact CG1-CD2 3.45Å; V10-Y129 VanDerWaalsContact CG1-CD2 3.45Å; V10-Y129 HydrophobicContact CG1-CE2 3.9Å; V10-Y129 HydrophobicContact CG1-CG 4.48Å; V10-Y129 HydrophobicContact CG2-CD2 4.15Å; V10-P212 HydrophobicContact CG1-CG 4.33Å
11L96.5Very high89Confident96 Ų9671.2 Ų71.250%0.50342%0.417SS..Hα-helixtrans-65.2-41.5179.1-68.8174.7000111.2Q7 V8 S14 A15 V211Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 2.02Å; V8-L11 PolarHBondContact O-N 3.13Å; L11-S14 PolarHBondContact O-N 2.92Å; L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 2.75Å; L11-V211 HydrophobicContact CD2-CG1 4.47Å
12A96.7Very high91.5Very high52 Ų5263.4 Ų63.443%0.4338%0.382SS..Hα-helixtrans-62.8-43.5176.600000112.2V8 P9 A15 T16V8-A12 WeakPolarHBondContact O-CB 3.08Å; V8-A12 PolarHBondContact O-N 2.93Å; P9-A12 PolarHBondContact O-N 3.47Å; A12-A15 PolarHBondContact O-N 2.94Å; A12-T16 WeakPolarHBondContact O-CB 2.97Å; A12-T16 PolarHBondContact O-N 2.97Å; A12-T16 PolarHBondContact O-OG1 2.88Å
13G96.9Very high92.9Very high23 Ų2361.3 Ų61.324%0.23736%0.364CS..Hα-helixtrans-63.2-44.6175.500000112.2P9 V10 T16 L17P9-G13 PolarHBondContact O-N 3.36Å; V10-G13 PolarHBondContact O-N 2.74Å; G13-T16 WeakPolarHBondContact O-CB 3.39Å; G13-T16 PolarHBondContact O-N 3.23Å; G13-L17 PolarHBondContact O-N 2.71Å
14S96.9Very high93.8Very high5 Ų557.8 Ų57.84%0.03535%0.346CS..Hα-helixtrans-63-45.1177.3-53.80000111.8V10 L11 T16 L17 A18 P212 A215V10-S14 WeakPolarHBondContact O-CB 3.39Å; V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.41Å; L11-S14 PolarHBondContact O-N 2.92Å; S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 3.24Å; S14-A18 PolarHBondContact O-N 2.85Å; S14-P212 WeakPolarHBondContact OG-CA 3.39Å; S14-P212 WeakPolarHBondContact OG-CB 3.4Å; S14-A215 WeakPolarHBondContact O-CB 3.34Å
15A97.3Very high94.2Very high52 Ų5257.2 Ų57.243%0.4334%0.339SS..Hα-helixtrans-62.7-38.4175.900000111.7L11 A12 A18 T19L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 2.75Å; A12-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 3.34Å; A15-T19 VanDerWaalsContact O-CB 3.27Å; A15-T19 WeakPolarHBondContact O-CB 3.23Å; A15-T19 PolarHBondContact O-N 2.88Å; A15-T19 PolarHBondContact O-OG1 3.09Å
16T97Very high94Very high79 Ų7960.6 Ų60.649%0.48536%0.362SS..Hα-helixtrans-62.9-47.2175.5-57.90000111A12 G13 S14 A18 T19 M20A12-T16 WeakPolarHBondContact O-CB 2.97Å; A12-T16 PolarHBondContact O-N 2.97Å; A12-T16 PolarHBondContact O-OG1 2.88Å; G13-T16 WeakPolarHBondContact O-CB 3.39Å; G13-T16 PolarHBondContact O-N 3.23Å; S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.35Å; T16-A18 PolarHBondContact O-N 3.35Å; T16-T19 PolarHBondContact O-N 2.97Å; T16-M20 HydrophobicContact CG2-CG 4.45Å; T16-M20 HydrophobicContact CG2-SD 4.14Å; T16-M20 WeakPolarHBondContact O-CB 3.36Å; T16-M20 VanDerWaalsContact O-CG 3.24Å; T16-M20 WeakPolarHBondContact O-CG 3.46Å; T16-M20 PolarHBondContact O-N 3.12Å
17L95.4Very high93.8Very high9 Ų962.2 Ų62.25%0.04737%0.367CS..Hα-helixtrans-59.3-46.9176.3-72.2176.6000112.2G13 S14 T19 M20 G21 F118 L125 A215 F216G13-L17 PolarHBondContact O-N 2.71Å; S14-L17 PolarHBondContact O-N 3.24Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.34Å; L17-M20 PolarHBondContact O-N 2.71Å; L17-G21 PolarHBondContact O-N 3.25Å; L17-F118 HydrophobicContact CD2-CD2 4.16Å; L17-F118 HydrophobicContact CD2-CE2 3.33Å; L17-F118 HydrophobicContact CD2-CZ 3.87Å; L17-L125 HydrophobicContact CD1-CD2 3.61Å; L17-L125 HydrophobicContact CG-CD2 4.45Å; L17-A215 HydrophobicContact CB-CB 4.1Å; L17-A215 HydrophobicContact CD1-CB 4.46Å; L17-F216 HydrophobicContact CD1-CB 4.18Å
18A95.5Very high93.2Very high32 Ų3259.1 Ų59.126%0.26436%0.361SS..Hα-helixtrans-63.5-41.1178.100000112S14 A15 T16 G21 T22 F218S14-A18 PolarHBondContact O-N 2.85Å; A15-A18 PolarHBondContact O-N 3.34Å; T16-A18 PolarHBondContact O-N 3.35Å; A18-G21 PolarHBondContact O-N 3.09Å; A18-T22 PolarHBondContact O-N 3.23Å; A18-T22 PolarHBondContact O-OG1 3.3Å; A18-F218 HydrophobicContact CB-CD1 4.4Å
19T96Very high92.5Very high77 Ų7761.4 Ų61.447%0.47236%0.361SS..Hα-helixtrans-64.2-43.4175.9-57.60000110.7A15 T16 L17 G21 T22 L23A15-T19 VanDerWaalsContact O-CB 3.27Å; A15-T19 WeakPolarHBondContact O-CB 3.23Å; A15-T19 PolarHBondContact O-N 2.88Å; A15-T19 PolarHBondContact O-OG1 3.09Å; T16-T19 PolarHBondContact O-N 2.97Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.34Å; T19-G21 VanDerWaalsContact C-N 3.34Å; T19-G21 PolarHBondContact O-N 3.46Å; T19-T22 PolarHBondContact O-N 3.2Å; T19-L23 HydrophobicContact CG2-CD1 4.07Å; T19-L23 HydrophobicContact CG2-CG 4.26Å; T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.29Å; T19-L23 WeakPolarHBondContact O-CG 3.34Å; T19-L23 PolarHBondContact O-N 2.99Å
20M94.5Very high91.8Very high71 Ų7159 Ų5935%0.3535%0.345SS..Hα-helixtrans-59.3-44.5175.5-72.5174.866.700111.7T16 L17 T22 L23 I24 F118 F219T16-M20 HydrophobicContact CG2-CG 4.45Å; T16-M20 HydrophobicContact CG2-SD 4.14Å; T16-M20 WeakPolarHBondContact O-CB 3.36Å; T16-M20 VanDerWaalsContact O-CG 3.24Å; T16-M20 WeakPolarHBondContact O-CG 3.46Å; T16-M20 PolarHBondContact O-N 3.12Å; L17-M20 PolarHBondContact O-N 2.71Å; M20-T22 PolarHBondContact O-N 2.83Å; M20-L23 PolarHBondContact O-N 2.86Å; M20-I24 WeakPolarHBondContact O-CD1 3.43Å; M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.44Å; M20-I24 PolarHBondContact O-N 3.34Å; M20-F118 HydrophobicContact CE-CD2 3.73Å; M20-F118 HydrophobicContact CE-CE2 4.27Å; M20-F118 HydrophobicContact SD-CD2 4.44Å; M20-F219 HydrophobicContact CB-CD2 3.87Å; M20-F219 HydrophobicContact CB-CE2 3.89Å; M20-F219 HydrophobicContact CE-CE2 4.09Å
21G92.7Very high90.8Very high0 Ų060.3 Ų60.30%036%0.356CS..Hα-helixtrans-59.8-45.9175.900000112.1L17 A18 T19 I24 L25 C222L17-G21 PolarHBondContact O-N 3.25Å; A18-G21 PolarHBondContact O-N 3.09Å; T19-G21 VanDerWaalsContact C-N 3.34Å; T19-G21 PolarHBondContact O-N 3.46Å; G21-I24 WeakPolarHBondContact O-CB 3.29Å; G21-I24 PolarHBondContact O-N 3.47Å; G21-L25 PolarHBondContact O-N 3.44Å; G21-C222 VanDerWaalsContact O-CB 3.31Å; G21-C222 WeakPolarHBondContact O-CB 3.32Å
22T92.9Very high89.6Confident65 Ų6559.4 Ų59.440%0.39936%0.358SS..Hα-helixtrans-62.9-45.8177.8-540000111.6A18 T19 M20 I24 L25 C26A18-T22 PolarHBondContact O-N 3.23Å; A18-T22 PolarHBondContact O-OG1 3.3Å; T19-T22 PolarHBondContact O-N 3.2Å; M20-T22 PolarHBondContact O-N 2.83Å; T22-I24 VanDerWaalsContact C-N 3.29Å; T22-I24 PolarHBondContact O-N 3Å; T22-L25 WeakPolarHBondContact O-CB 3.38Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-L25 VanDerWaalsContact O-N 3.13Å; T22-C26 PolarHBondContact O-N 3.49Å; T22-C26 PolarHBondContact O-SG 2.84Å
23L93.3Very high88.5Confident79 Ų7959 Ų5941%0.41435%0.346SS..Hα-helixtrans-60.1-39.4177.5-74.2175.2000111.8T19 M20 L25 C26 F27T19-L23 HydrophobicContact CG2-CD1 4.07Å; T19-L23 HydrophobicContact CG2-CG 4.26Å; T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.29Å; T19-L23 WeakPolarHBondContact O-CG 3.34Å; T19-L23 PolarHBondContact O-N 2.99Å; M20-L23 PolarHBondContact O-N 2.86Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.98Å; L23-C26 PolarHBondContact O-N 3.31Å; L23-F27 HydrophobicContact CB-CD2 4.23Å; L23-F27 HydrophobicContact CB-CE2 4.09Å; L23-F27 HydrophobicContact CD2-CE2 4Å; L23-F27 WeakPolarHBondContact O-CD2 3.27Å; L23-F27 PolarHBondContact O-N 3.13Å
24I89.8Confident87.5Confident34 Ų3459.1 Ų59.117%0.17435%0.347CS..Hα-helixtrans-57.5-50.2174.9-71.1156.7000109.9M20 G21 T22 C26 F27 G28 F219 F223 M226M20-I24 WeakPolarHBondContact O-CD1 3.43Å; M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.44Å; M20-I24 PolarHBondContact O-N 3.34Å; G21-I24 WeakPolarHBondContact O-CB 3.29Å; G21-I24 PolarHBondContact O-N 3.47Å; T22-I24 VanDerWaalsContact C-N 3.29Å; T22-I24 PolarHBondContact O-N 3Å; I24-C26 PolarHBondContact O-N 3.43Å; I24-F27 PolarHBondContact O-N 3.43Å; I24-G28 PolarHBondContact O-N 3.36Å; I24-F219 HydrophobicContact CD1-CD2 4.25Å; I24-F219 HydrophobicContact CD1-CE2 3.57Å; I24-F219 HydrophobicContact CD1-CZ 4.19Å; I24-F223 HydrophobicContact CD1-CB 3.96Å; I24-F223 HydrophobicContact CD1-CD2 3.68Å; I24-F223 HydrophobicContact CD1-CG 4.23Å; I24-F223 HydrophobicContact CG1-CD2 4.46Å; I24-M226 HydrophobicContact CG2-CB 4.25Å; I24-M226 HydrophobicContact CG2-CE 3.88Å; I24-M226 HydrophobicContact CG2-SD 3.72Å; I24-M226 WeakPolarHBondContact O-CE 3.45Å
25L88.8Confident86.4Confident91 Ų9160.1 Ų60.148%0.47635%0.351SS..Hα-helixtrans-58.8-44.2176.8-65-179.3000112.4G21 T22 L23 G28 C222 M226G21-L25 PolarHBondContact O-N 3.44Å; T22-L25 WeakPolarHBondContact O-CB 3.38Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-L25 VanDerWaalsContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.98Å; L25-G28 PolarHBondContact O-N 3.48Å; L25-C222 HydrophobicContact CD1-CB 4.24Å; L25-C222 VanDerWaalsContact CD1-SG 3.53Å; L25-C222 HydrophobicContact CD2-CB 4.21Å; L25-C222 HydrophobicContact CG-CB 3.94Å; L25-M226 HydrophobicContact CD2-CE 4.21Å
26C87.4Confident85.2Confident99 Ų9959.3 Ų59.367%0.66934%0.338SS*.Hα-helixtrans-65.3-41.4-179.8-67.30000113.2T22 L23 I24 G28T22-C26 PolarHBondContact O-N 3.49Å; T22-C26 PolarHBondContact O-SG 2.84Å; L23-C26 PolarHBondContact O-N 3.31Å; I24-C26 PolarHBondContact O-N 3.43Å; C26-G28 VanDerWaalsContact C-N 3.33Å
27F86.5Confident83.6Confident152 Ų15257.2 Ų57.267%0.66733%0.327SS*.Hα-helixtrans-74.5-24.1-178.7-74.2-59.5000113.1L23 I24 K29L23-F27 HydrophobicContact CB-CD2 4.23Å; L23-F27 HydrophobicContact CB-CE2 4.09Å; L23-F27 HydrophobicContact CD2-CE2 4Å; L23-F27 WeakPolarHBondContact O-CD2 3.27Å; L23-F27 PolarHBondContact O-N 3.13Å; I24-F27 PolarHBondContact O-N 3.43Å; F27-K29 PolarHBondContact O-N 3.1Å; F27-K29 VanDerWaalsContact O-N 3.16Å
28G79.6Confident81.7Confident29 Ų2964.9 Ų64.930%0.29936%0.362SS..THydrogen-bonded Turntrans57.634.7172.900000113.3I24 L25 C26 Y230I24-G28 PolarHBondContact O-N 3.36Å; L25-G28 PolarHBondContact O-N 3.48Å; C26-G28 VanDerWaalsContact C-N 3.33Å; G28-Y230 PolarHBondContact O-OH 3.21Å
29K79Confident79.5Confident165 Ų16569 Ų6972%0.71739%0.389SS*.  trans-126.3132.7176.6-70.7-175-176.9-1770109.6F27 M226F27-K29 PolarHBondContact O-N 3.1Å; F27-K29 VanDerWaalsContact O-N 3.16Å; K29-M226 VanDerWaalsContact O-SD 3.36Å
30P80.2Confident77.5Confident27 Ų2767.9 Ų67.918%0.17538%0.383CS..  trans-66.8152.3175.930.1-33.2000109.9S32 H36 Y230P30-S32 PolarHBondContact O-N 3.49Å; P30-H36 HydrophobicContact CB-CB 4.29Å; P30-H36 WeakPolarHBondContact CB-ND1 3.43Å; P30-H36 HydrophobicContact CG-CB 3.9Å; P30-Y230 HydrophobicContact CB-CD2 3.74Å; P30-Y230 HydrophobicContact CB-CE2 4.39Å; P30-Y230 HydrophobicContact CB-CG 3.87Å; P30-Y230 HydrophobicContact CG-CD1 4.01Å; P30-Y230 HydrophobicContact CG-CD2 4Å; P30-Y230 HydrophobicContact CG-CE1 4.37Å; P30-Y230 HydrophobicContact CG-CE2 4.4Å; P30-Y230 HydrophobicContact CG-CG 3.84Å
31A73.6Confident75.4Confident29 Ų2968.6 Ų68.624%0.2439%0.394CS..  trans-59.1133.6168.100000110Y33 F223A31-Y33 HydrophobicContact CB-CD1 3.54Å; A31-Y33 HydrophobicContact CB-CE1 3.45Å; A31-Y33 VanDerWaalsContact CB-CE1 3.45Å; A31-Y33 PolarHBondContact O-N 2.99Å; A31-F223 HydrophobicContact CB-CE2 3.87Å; A31-F223 HydrophobicContact CB-CZ 4.1Å
32S72.5Confident73.7Confident78 Ų7875.2 Ų75.255%0.54544%0.441SS..SBendtrans-76.949.1-172-500000113.5P30 H36 I111P30-S32 PolarHBondContact O-N 3.49Å; S32-H36 WeakPolarHBondContact CA-O 3.24Å; S32-I111 VanDerWaalsContact C-CD1 3.41Å; S32-I111 WeakPolarHBondContact O-CD1 3.32Å
33Y73.7Confident72.5Confident42 Ų4275.5 Ų75.517%0.16546%0.456CS..SBendtrans-124.9161.1173.470-95.9000112.5A31 K35 H36 W53 L107 I111 F223 Q227A31-Y33 HydrophobicContact CB-CD1 3.54Å; A31-Y33 HydrophobicContact CB-CE1 3.45Å; A31-Y33 VanDerWaalsContact CB-CE1 3.45Å; A31-Y33 PolarHBondContact O-N 2.99Å; Y33-K35 PolarHBondContact O-N 3.25Å; Y33-K35 VanDerWaalsContact O-N 3.15Å; Y33-H36 PolarHBondContact O-N 3.04Å; Y33-W53 HydrophobicContact CE2-CZ2 4.24Å; Y33-L107 HydrophobicContact CG-CD1 4.07Å; Y33-I111 HydrophobicContact CD1-CG2 4.21Å; Y33-F223 HydrophobicContact CE1-CZ 4.04Å; Y33-Q227 VanDerWaalsContact CZ-OE1 3.28Å; Y33-Q227 VanDerWaalsContact OH-CD 3.25Å; Y33-Q227 PolarHBondContact OH-NE2 3.31Å; Y33-Q227 PolarHBondContact OH-OE1 2.92Å
34G75Confident71.6Confident26 Ų2673.8 Ų73.827%0.26845%0.449SS..G310 helixtrans64.5-114.2179.100000112.4H36 S37 Y178G34-H36 VanDerWaalsContact C-N 3.3Å; G34-S37 PolarHBondContact O-OG 3.46Å; G34-Y178 PolarHBondContact O-OH 2.95Å
35K74.6Confident71.3Confident26 Ų2676.4 Ų76.411%0.11347%0.468CS..G310 helixtrans-71.2-26.2-177.1-71.7169-177.1165.90113.1Y33 Y178 F234 Y235Y33-K35 PolarHBondContact O-N 3.25Å; Y33-K35 VanDerWaalsContact O-N 3.15Å; K35-Y178 WeakPolarHBondContact CA-OH 3.32Å; K35-Y178 HydrophobicContact CB-CE1 4.4Å; K35-Y178 HydrophobicContact CD-CD1 4.28Å; K35-Y178 HydrophobicContact CD-CE1 3.96Å; K35-Y178 HydrophobicContact CG-CD1 3.82Å; K35-Y178 HydrophobicContact CG-CE1 3.13Å; K35-Y178 HydrophobicContact CG-CE2 4.09Å; K35-Y178 PolarHBondContact N-OH 3.5Å; K35-F234 HydrophobicContact CB-CD2 4.17Å; K35-F234 HydrophobicContact CB-CE2 4.24Å; K35-F234 HydrophobicContact CB-CG 4.4Å; K35-F234 HydrophobicContact CD-CB 4.38Å; K35-F234 HydrophobicContact CD-CD1 3.57Å; K35-F234 HydrophobicContact CD-CD2 4.41Å; K35-F234 HydrophobicContact CD-CE1 3.85Å; K35-F234 HydrophobicContact CD-CG 3.87Å; K35-F234 HydrophobicContact CD-CZ 4.38Å; K35-F234 HydrophobicContact CG-CD1 4.22Å; K35-F234 HydrophobicContact CG-CD2 4.46Å; K35-F234 HydrophobicContact CG-CE1 4.1Å; K35-F234 HydrophobicContact CG-CE2 4.35Å; K35-F234 HydrophobicContact CG-CG 4.39Å; K35-F234 HydrophobicContact CG-CZ 4.16Å; K35-Y235 PolarHBondContact NZ-OH 2.92Å
36H71.7Confident71.2Confident35 Ų3576.7 Ų76.716%0.16247%0.47CS..G310 helixtrans-105.717.9-174.4-45.9133.6000112.1P30 S32 Y33 G34 E38 Y230 H231P30-H36 HydrophobicContact CB-CB 4.29Å; P30-H36 WeakPolarHBondContact CB-ND1 3.43Å; P30-H36 HydrophobicContact CG-CB 3.9Å; S32-H36 WeakPolarHBondContact CA-O 3.24Å; Y33-H36 PolarHBondContact O-N 3.04Å; G34-H36 VanDerWaalsContact C-N 3.3Å; H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 PolarHBondContact O-N 3.18Å; H36-Y230 WeakPolarHBondContact CE1-CB 3.3Å; H36-H231 AromaticContact CE1-CD2 3.63Å
37S63.8Low71.2Confident36 Ų3674.4 Ų74.425%0.25245%0.451SS..  trans-70.193.7161.965.90000107.5G34G34-S37 PolarHBondContact O-OG 3.46Å
38E54.9Low71.4Confident169 Ų16970.5 Ų70.579%0.7944%0.441SS*.  trans-57.6147.1156.3-68.4-177.3172.900107.3H36 V40H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 PolarHBondContact O-N 3.18Å; E38-V40 PolarHBondContact O-N 2.9Å
39S49.5Very low71.9Confident119 Ų11969.5 Ų69.583%0.83243%0.43SS*.  trans-46.2102.3-177.154.10000109.1S41S39-S41 PolarHBondContact O-N 3.25Å
40V53Low72.4Confident54 Ų5467.7 Ų67.733%0.32742%0.418SS..  trans-55123.2-172.81750000105.6E38 S42 V44 L46E38-V40 PolarHBondContact O-N 2.9Å; V40-S42 PolarHBondContact O-N 2.79Å; V40-V44 HydrophobicContact CG1-CB 3.61Å; V40-V44 HydrophobicContact CG1-CG1 4.29Å; V40-V44 HydrophobicContact CG1-CG2 4.13Å; V40-L46 HydrophobicContact CB-CD2 4.37Å; V40-L46 HydrophobicContact CG1-CD2 4.41Å; V40-L46 HydrophobicContact CG2-CD2 4.2Å
41S50.9Low73Confident85 Ų8570.5 Ų70.559%0.59443%0.431SS*.  trans-40.2132.4176.943.60000109.6S39 G43 V44S39-S41 PolarHBondContact O-N 3.25Å; S41-G43 PolarHBondContact O-N 3.19Å; S41-V44 PolarHBondContact O-N 3.1Å
42S57.1Low73.9Confident139 Ų13969.1 Ų69.197%0.97242%0.42SS*.THydrogen-bonded Turntrans-59.118.8-163510000117.6V40V40-S42 PolarHBondContact O-N 2.79Å
43G67.2Low74.9Confident71 Ų7167.4 Ų67.473%0.73240%0.401SS*.THydrogen-bonded Turntrans-134.8-1177.600000115.8S41S41-G43 PolarHBondContact O-N 3.19Å
44V74.6Confident75.9Confident44 Ų4467.9 Ų67.927%0.26740%0.404SS..SBendtrans-88.5123.8178.4-176.70000109.8V40 S41 L46 V110V40-V44 HydrophobicContact CG1-CB 3.61Å; V40-V44 HydrophobicContact CG1-CG1 4.29Å; V40-V44 HydrophobicContact CG1-CG2 4.13Å; S41-V44 PolarHBondContact O-N 3.1Å; V44-L46 PolarHBondContact O-N 3.15Å; V44-V110 HydrophobicContact CG1-CG2 4.15Å
45P83.3Confident76.9Confident88 Ų8870.4 Ų70.457%0.57141%0.411SS*.PPolyproline II helixtrans-63.1135.9-178.922-29.5000111.2A109P45-A109 HydrophobicContact CG-CB 3.79Å; P45-A109 PolarHBondContact O-N 3.1Å
46L86.4Confident77.8Confident97 Ų9769.5 Ų69.551%0.50841%0.407SS..EExtended strand (participates in β ladder)trans-100.8129.5177.5-63.7176000109.7V40 V44 P106 L107V40-L46 HydrophobicContact CB-CD2 4.37Å; V40-L46 HydrophobicContact CG1-CD2 4.41Å; V40-L46 HydrophobicContact CG2-CD2 4.2Å; V44-L46 PolarHBondContact O-N 3.15Å; L46-P106 HydrophobicContact CB-CB 3.96Å; L46-P106 HydrophobicContact CD1-CB 4.49Å; L46-L107 WeakPolarHBondContact CA-O 3.48Å
47L87.5Confident78.9Confident51 Ų5168.7 Ų68.727%0.26740%0.404SS..EExtended strand (participates in β ladder)trans-99.5139.3176-68.1165.2000110.1A49 A52 P106 L107 A109 F112L47-A49 PolarHBondContact O-N 2.93Å; L47-A52 HydrophobicContact CB-CB 4.1Å; L47-P106 CarbonylContact O-C 3.54Å; L47-P106 VanDerWaalsContact O-CA 3.23Å; L47-P106 WeakPolarHBondContact O-CA 3.25Å; L47-P106 WeakPolarHBondContact O-CB 3.48Å; L47-L107 PolarHBondContact N-O 2.86Å; L47-L107 PolarHBondContact O-N 3.36Å; L47-A109 HydrophobicContact CD1-CB 4.46Å; L47-F112 HydrophobicContact CD1-CB 3.83Å; L47-F112 HydrophobicContact CD1-CD1 3.51Å; L47-F112 HydrophobicContact CD1-CD2 4.28Å; L47-F112 HydrophobicContact CD1-CE1 4.16Å; L47-F112 HydrophobicContact CD1-CG 3.58Å
48P91Very high80.5Confident71 Ų7169.1 Ų69.146%0.46140%0.403SS..PPolyproline II helixtrans-54.7131.5170.9-25.635.1000110.8R50 I51 A52P48-R50 PolarHBondContact O-N 3.25Å; P48-R50 VanDerWaalsContact O-N 3.11Å; P48-I51 HydrophobicContact CB-CD1 4.23Å; P48-I51 HydrophobicContact CB-CG1 4.35Å; P48-I51 HydrophobicContact CG-CD1 4.08Å; P48-I51 PolarHBondContact O-N 3.32Å; P48-A52 PolarHBondContact O-N 3.07Å
49A89.6Confident82.4Confident8 Ų862.3 Ų62.37%0.06637%0.373CS..Hα-helixtrans-51.9-42-17300000113L47 I51 A52 W53 T102 R105L47-A49 PolarHBondContact O-N 2.93Å; A49-I51 PolarHBondContact O-N 2.98Å; A49-A52 PolarHBondContact O-N 3.14Å; A49-W53 WeakPolarHBondContact O-CB 3.48Å; A49-W53 PolarHBondContact O-N 3.36Å; A49-T102 HydrophobicContact CB-CG2 4.1Å; A49-R105 WeakPolarHBondContact CB-O 3.46Å
50R91.4Very high84.6Confident127 Ų12756.6 Ų56.648%0.47933%0.333SS..Hα-helixtrans-59-45.7179.2-65.7-179.1-173.7168.71.7112.4P48 F54 S99 T102P48-R50 PolarHBondContact O-N 3.25Å; P48-R50 VanDerWaalsContact O-N 3.11Å; R50-F54 WeakPolarHBondContact O-CB 3.47Å; R50-F54 PolarHBondContact O-N 2.87Å; R50-S99 WeakPolarHBondContact CA-O 3.37Å; R50-T102 HydrophobicContact CB-CG2 4.43Å; R50-T102 HydrophobicContact CG-CG2 3.84Å; R50-T102 PolarHBondContact NE-O 3.47Å
51I92.7Very high86.7Confident86 Ų8655.8 Ų55.844%0.44133%0.326SS..Hα-helixtrans-69.6-45.5-179.2-60.8177.1000109.7P48 A49 F54 L55P48-I51 HydrophobicContact CB-CD1 4.23Å; P48-I51 HydrophobicContact CB-CG1 4.35Å; P48-I51 HydrophobicContact CG-CD1 4.08Å; P48-I51 PolarHBondContact O-N 3.32Å; A49-I51 PolarHBondContact O-N 2.98Å; I51-F54 PolarHBondContact O-N 3.44Å; I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 HydrophobicContact CG2-CG 4.21Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 WeakPolarHBondContact O-CG 3.01Å; I51-L55 PolarHBondContact O-N 2.96Å
52A92.6Very high88.8Confident0 Ų055.6 Ų55.60%032%0.32CS..Hα-helixtrans-59.7-50.7179.400000111.8L47 P48 A49 F54 L55 Q56 L107 F112L47-A52 HydrophobicContact CB-CB 4.1Å; P48-A52 PolarHBondContact O-N 3.07Å; A49-A52 PolarHBondContact O-N 3.14Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.92Å; A52-L55 PolarHBondContact O-N 3.45Å; A52-Q56 VanDerWaalsContact O-CB 3.3Å; A52-Q56 WeakPolarHBondContact O-CB 3.27Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.17Å; A52-Q56 PolarHBondContact O-N 2.91Å; A52-L107 HydrophobicContact CB-CB 4.03Å; A52-L107 HydrophobicContact CB-CD2 3.95Å; A52-F112 HydrophobicContact CB-CD2 4.13Å
53W91.9Very high90.6Very high42 Ų4250.4 Ų50.416%0.15928%0.283CS..Hα-helixtrans-66.8-32.1177.6-80.6100.5000112.8Y33 A49 E57 Y98 S99Y33-W53 HydrophobicContact CE2-CZ2 4.24Å; A49-W53 WeakPolarHBondContact O-CB 3.48Å; A49-W53 PolarHBondContact O-N 3.36Å; W53-E57 HydrophobicContact CE3-CG 4.14Å; W53-E57 VanDerWaalsContact CZ3-OE1 3.3Å; W53-E57 WeakPolarHBondContact CZ3-OE1 3.46Å; W53-E57 WeakPolarHBondContact O-CB 3.04Å; W53-E57 WeakPolarHBondContact O-CG 3.44Å; W53-Y98 AromaticContact CD2-CE1 3.89Å; W53-Y98 HydrophobicContact CD2-CE1 3.89Å; W53-Y98 HydrophobicContact CE3-CD1 4.47Å; W53-Y98 AromaticContact CE3-CE1 3.83Å; W53-Y98 HydrophobicContact CE3-CE1 3.83Å; W53-Y98 HydrophobicContact CG-CE1 4.35Å; W53-Y98 HydrophobicContact CZ3-CE1 4.22Å; W53-S99 VanDerWaalsContact C-CB 3.5Å; W53-S99 WeakPolarHBondContact CB-OG 3.46Å; W53-S99 PolarHBondContact O-OG 3.48Å
54F95.6Very high91.9Very high51 Ų5147 Ų4722%0.22425%0.248CC..Hα-helixtrans-68.5-52.5176.4179.7-92000110.4R50 I51 A52 Q56 L58 T95 F96 L100R50-F54 WeakPolarHBondContact O-CB 3.47Å; R50-F54 PolarHBondContact O-N 2.87Å; I51-F54 PolarHBondContact O-N 3.44Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.92Å; F54-Q56 PolarHBondContact O-N 3.32Å; F54-L58 HydrophobicContact CE1-CD2 4.02Å; F54-L58 HydrophobicContact CZ-CD1 4.46Å; F54-L58 HydrophobicContact CZ-CD2 4.5Å; F54-L58 VanDerWaalsContact O-CB 3.28Å; F54-L58 WeakPolarHBondContact O-CB 3.37Å; F54-L58 PolarHBondContact O-N 3.18Å; F54-L58 VanDerWaalsContact O-N 3.12Å; F54-T95 HydrophobicContact CD2-CG2 3.85Å; F54-T95 WeakPolarHBondContact CD2-O 3.14Å; F54-T95 HydrophobicContact CE2-CG2 3.85Å; F54-T95 HydrophobicContact CG-CG2 4.46Å; F54-T95 HydrophobicContact CZ-CG2 4.46Å; F54-F96 AromaticContact CE2-CD1 3.88Å; F54-F96 HydrophobicContact CE2-CD1 3.88Å; F54-F96 AromaticContact CE2-CE1 3.85Å; F54-F96 HydrophobicContact CE2-CE1 3.85Å; F54-F96 HydrophobicContact CZ-CE1 4.08Å; F54-L100 HydrophobicContact CD2-CD2 3.82Å; F54-L100 HydrophobicContact CD2-CG 4.48Å; F54-L100 HydrophobicContact CE2-CD2 4.35Å
55L95.3Very high92.8Very high79 Ų7947.5 Ų47.541%0.41425%0.251SS..Hα-helixtrans-70.6-32.2-174.6-68.8178.5000113.4I51 A52 P59 F112I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 HydrophobicContact CG2-CG 4.21Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 WeakPolarHBondContact O-CG 3.01Å; I51-L55 PolarHBondContact O-N 2.96Å; A52-L55 PolarHBondContact O-N 3.45Å; L55-P59 WeakPolarHBondContact O-CD 3.44Å; L55-F112 HydrophobicContact CB-CE2 3.61Å; L55-F112 HydrophobicContact CB-CZ 3.79Å; L55-F112 HydrophobicContact CD1-CZ 4.25Å
56Q94.8Very high93.3Very high7 Ų744.5 Ų44.53%0.03324%0.236CC..Hα-helixtrans-74.4-32.7-178.978.8-17526.300112.4A52 F54 P59 F112 A115 T116 C119A52-Q56 VanDerWaalsContact O-CB 3.3Å; A52-Q56 WeakPolarHBondContact O-CB 3.27Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.17Å; A52-Q56 PolarHBondContact O-N 2.91Å; F54-Q56 PolarHBondContact O-N 3.32Å; Q56-P59 WeakPolarHBondContact O-CD 3.38Å; Q56-F112 HydrophobicContact CB-CD2 4Å; Q56-F112 HydrophobicContact CB-CE2 4.01Å; Q56-A115 HydrophobicContact CB-CB 4.02Å; Q56-A115 HydrophobicContact CG-CB 4.22Å; Q56-T116 WeakPolarHBondContact CA-OG1 3.42Å; Q56-C119 WeakPolarHBondContact O-CB 3.43Å; Q56-C119 PolarHBondContact O-SG 3.12Å
57E94.6Very high93.5Very high19 Ų1941.5 Ų41.59%0.08922%0.22CC..Hα-helixtrans-91-26.5-175-55.7-66.2155.200112.2W53 P59 S60 Y91 R94 T95W53-E57 HydrophobicContact CE3-CG 4.14Å; W53-E57 VanDerWaalsContact CZ3-OE1 3.3Å; W53-E57 WeakPolarHBondContact CZ3-OE1 3.46Å; W53-E57 WeakPolarHBondContact O-CB 3.04Å; W53-E57 WeakPolarHBondContact O-CG 3.44Å; E57-P59 VanDerWaalsContact C-N 3.34Å; E57-S60 PolarHBondContact O-N 2.92Å; E57-Y91 WeakPolarHBondContact OE2-CE1 3.49Å; E57-R94 HydrophobicContact CB-CG 4.21Å; E57-R94 HydrophobicContact CG-CG 3.8Å; E57-T95 WeakPolarHBondContact CB-OG1 3.35Å
58L96.3Very high93.6Very high45 Ų4540.4 Ų40.424%0.23621%0.214CC..Hα-helixtrans-51-41.1-179.3-178.267.4000114.2F54 S60 F61 V62 T95 F96F54-L58 HydrophobicContact CE1-CD2 4.02Å; F54-L58 HydrophobicContact CZ-CD1 4.46Å; F54-L58 HydrophobicContact CZ-CD2 4.5Å; F54-L58 VanDerWaalsContact O-CB 3.28Å; F54-L58 WeakPolarHBondContact O-CB 3.37Å; F54-L58 PolarHBondContact O-N 3.18Å; F54-L58 VanDerWaalsContact O-N 3.12Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.4Å; L58-F61 PolarHBondContact O-N 3.49Å; L58-V62 HydrophobicContact CD1-CG2 3.68Å; L58-V62 HydrophobicContact CG-CG2 3.85Å; L58-V62 WeakPolarHBondContact O-CG2 3.37Å; L58-V62 PolarHBondContact O-N 2.92Å; L58-T95 HydrophobicContact CB-CG2 4Å; L58-T95 HydrophobicContact CD1-CG2 3.91Å; L58-F96 HydrophobicContact CD1-CZ 3.96Å
59P95.4Very high93.6Very high25 Ų2541.1 Ų41.116%0.16223%0.226CC..Hα-helixtrans-59.9-39.7-179.5-24.934.9000113.7L55 Q56 E57 F61 V62 V63 T116 I120L55-P59 WeakPolarHBondContact O-CD 3.44Å; Q56-P59 WeakPolarHBondContact O-CD 3.38Å; E57-P59 VanDerWaalsContact C-N 3.34Å; P59-F61 VanDerWaalsContact C-N 3.3Å; P59-F61 PolarHBondContact O-N 3.23Å; P59-V62 PolarHBondContact O-N 3.5Å; P59-V63 VanDerWaalsContact O-CB 3.28Å; P59-V63 WeakPolarHBondContact O-CB 3.05Å; P59-V63 WeakPolarHBondContact O-CG2 3.18Å; P59-V63 PolarHBondContact O-N 3.4Å; P59-T116 HydrophobicContact CG-CG2 4.33Å; P59-I120 HydrophobicContact CB-CB 4.38Å; P59-I120 HydrophobicContact CB-CG1 3.43Å; P59-I120 VanDerWaalsContact CB-CG1 3.43Å; P59-I120 HydrophobicContact CG-CD1 4.45Å; P59-I120 HydrophobicContact CG-CG1 3.77Å
60S95.1Very high93.6Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-64-37.6178.8-64.20000111.8E57 L58 S64 Y91 C119E57-S60 PolarHBondContact O-N 2.92Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.4Å; S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-N 2.86Å; S60-S64 PolarHBondContact O-OG 3.2Å; S60-S64 VanDerWaalsContact O-OG 3.12Å; S60-Y91 VanDerWaalsContact CB-CD1 3.44Å; S60-C119 WeakPolarHBondContact OG-CA 3.32Å; S60-C119 VanDerWaalsContact OG-CB 3.29Å; S60-C119 WeakPolarHBondContact OG-CB 3.44Å; S60-C119 PolarHBondContact OG-O 3.31Å
61F96.7Very high93.3Very high37 Ų3747.4 Ų47.416%0.16225%0.25CS..Hα-helixtrans-69.2-50.1174.1175.7-103.7000112.7L58 P59 V63 S64 V65 S88 F92 F96L58-F61 PolarHBondContact O-N 3.49Å; P59-F61 VanDerWaalsContact C-N 3.3Å; P59-F61 PolarHBondContact O-N 3.23Å; F61-V63 VanDerWaalsContact C-N 3.34Å; F61-V63 PolarHBondContact O-N 3.39Å; F61-S64 PolarHBondContact O-N 3.11Å; F61-S64 PolarHBondContact O-OG 3.32Å; F61-S64 VanDerWaalsContact O-OG 3.04Å; F61-V65 HydrophobicContact CD2-CG2 3.87Å; F61-V65 HydrophobicContact CE1-CG2 4.23Å; F61-V65 HydrophobicContact CE2-CG2 3.43Å; F61-V65 VanDerWaalsContact CE2-CG2 3.43Å; F61-V65 HydrophobicContact CG-CG2 4.43Å; F61-V65 HydrophobicContact CZ-CG2 3.66Å; F61-V65 WeakPolarHBondContact O-CB 3.12Å; F61-V65 WeakPolarHBondContact O-CG2 3.49Å; F61-V65 PolarHBondContact O-N 2.89Å; F61-S88 WeakPolarHBondContact CD2-O 3.38Å; F61-F92 HydrophobicContact CD2-CB 3.93Å; F61-F92 HydrophobicContact CE2-CB 3.64Å; F61-F92 AromaticContact CE2-CD2 3.85Å; F61-F92 HydrophobicContact CE2-CD2 3.85Å; F61-F92 HydrophobicContact CE2-CG 4.22Å; F61-F92 HydrophobicContact CZ-CB 4.49Å; F61-F92 AromaticContact CZ-CD2 3.86Å; F61-F92 HydrophobicContact CZ-CD2 3.86Å; F61-F96 AromaticContact CD1-CE2 3.54Å; F61-F96 HydrophobicContact CD1-CE2 3.54Å; F61-F96 HydrophobicContact CD1-CZ 4.04Å; F61-F96 AromaticContact CE1-CE2 3.48Å; F61-F96 HydrophobicContact CE1-CE2 3.48Å; F61-F96 VanDerWaalsContact CE1-CE2 3.48Å; F61-F96 AromaticContact CE1-CZ 3.92Å; F61-F96 HydrophobicContact CE1-CZ 3.92Å; F61-F96 HydrophobicContact CG-CE2 4.09Å; F61-F96 AromaticContact CZ-CE2 4Å; F61-F96 HydrophobicContact CZ-CE2 4Å
62V96Very high92.5Very high80 Ų8049.2 Ų49.249%0.48527%0.267SS..Hα-helixtrans-64.4-41-175.1170.90000111L58 P59 G66L58-V62 HydrophobicContact CD1-CG2 3.68Å; L58-V62 HydrophobicContact CG-CG2 3.85Å; L58-V62 WeakPolarHBondContact O-CG2 3.37Å; L58-V62 PolarHBondContact O-N 2.92Å; P59-V62 PolarHBondContact O-N 3.5Å; V62-G66 WeakPolarHBondContact O-CA 3.39Å; V62-G66 PolarHBondContact O-N 3.34Å
63V94.1Very high91.4Very high31 Ų3157.7 Ų57.719%0.18830%0.299CS..Hα-helixtrans-64.3-47.8177.7169.70000111.1P59 F61 G66 M67 L124 A127P59-V63 VanDerWaalsContact O-CB 3.28Å; P59-V63 WeakPolarHBondContact O-CB 3.05Å; P59-V63 WeakPolarHBondContact O-CG2 3.18Å; P59-V63 PolarHBondContact O-N 3.4Å; F61-V63 VanDerWaalsContact C-N 3.34Å; F61-V63 PolarHBondContact O-N 3.39Å; V63-G66 PolarHBondContact O-N 2.95Å; V63-M67 HydrophobicContact CG1-CE 4.26Å; V63-M67 WeakPolarHBondContact O-CG 3.3Å; V63-M67 PolarHBondContact O-N 2.86Å; V63-L124 HydrophobicContact CG1-CD2 3.62Å; V63-L124 HydrophobicContact CG1-CG 4.02Å; V63-L124 HydrophobicContact CG2-CD2 4.11Å; V63-L124 HydrophobicContact CG2-CG 4.27Å; V63-A127 HydrophobicContact CG1-CB 4.12Å
64S94Very high90.5Very high0 Ų059.6 Ų59.60%032%0.319CS..Hα-helixtrans-66.4-44.3-177.667.10000112.1S60 F61 M67 L68 S88S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-N 2.86Å; S60-S64 PolarHBondContact O-OG 3.2Å; S60-S64 VanDerWaalsContact O-OG 3.12Å; F61-S64 PolarHBondContact O-N 3.11Å; F61-S64 PolarHBondContact O-OG 3.32Å; F61-S64 VanDerWaalsContact O-OG 3.04Å; S64-M67 PolarHBondContact O-N 2.95Å; S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 3.26Å; S64-S88 VanDerWaalsContact CB-OG 3.28Å; S64-S88 WeakPolarHBondContact CB-OG 3.44Å; S64-S88 PolarHBondContact OG-OG 2.98Å
65V93.9Very high89.3Confident54 Ų5460.9 Ų60.933%0.32733%0.328SS..Hα-helixtrans-68.2-40.3177.1173.60000111.5F61 M67 L68 A69F61-V65 HydrophobicContact CD2-CG2 3.87Å; F61-V65 HydrophobicContact CE1-CG2 4.23Å; F61-V65 HydrophobicContact CE2-CG2 3.43Å; F61-V65 VanDerWaalsContact CE2-CG2 3.43Å; F61-V65 HydrophobicContact CG-CG2 4.43Å; F61-V65 HydrophobicContact CZ-CG2 3.66Å; F61-V65 WeakPolarHBondContact O-CB 3.12Å; F61-V65 WeakPolarHBondContact O-CG2 3.49Å; F61-V65 PolarHBondContact O-N 2.89Å; V65-M67 VanDerWaalsContact C-N 3.35Å; V65-M67 PolarHBondContact O-N 3.41Å; V65-L68 PolarHBondContact O-N 2.92Å; V65-A69 WeakPolarHBondContact O-CB 3.25Å; V65-A69 PolarHBondContact O-N 2.94Å
66G93.5Very high88.3Confident25 Ų2564.8 Ų64.826%0.25834%0.342SS..Hα-helixtrans-59.4-45.2175.900000111.9V62 V63 A69 W70V62-G66 WeakPolarHBondContact O-CA 3.39Å; V62-G66 PolarHBondContact O-N 3.34Å; V63-G66 PolarHBondContact O-N 2.95Å; G66-A69 PolarHBondContact O-N 2.97Å; G66-W70 PolarHBondContact O-N 3.36Å
67M91.5Very high87.7Confident33 Ų3366.1 Ų66.116%0.16336%0.358CS..Hα-helixtrans-66.1-37.6176.5-72.5-162.4-177.500112.9V63 S64 V65 W70 Q71 L84 L124 A127 V131V63-M67 HydrophobicContact CG1-CE 4.26Å; V63-M67 WeakPolarHBondContact O-CG 3.3Å; V63-M67 PolarHBondContact O-N 2.86Å; S64-M67 PolarHBondContact O-N 2.95Å; V65-M67 VanDerWaalsContact C-N 3.35Å; V65-M67 PolarHBondContact O-N 3.41Å; M67-W70 PolarHBondContact O-N 2.9Å; M67-Q71 WeakPolarHBondContact O-CG 3.5Å; M67-Q71 PolarHBondContact O-NE2 3.3Å; M67-Q71 VanDerWaalsContact O-NE2 3.14Å; M67-L84 HydrophobicContact CB-CD2 4.34Å; M67-L124 HydrophobicContact CE-CD2 4.17Å; M67-A127 HydrophobicContact CB-CB 4.34Å; M67-A127 HydrophobicContact CE-CB 4.27Å; M67-A127 HydrophobicContact CG-CB 4.17Å; M67-A127 HydrophobicContact SD-CB 3.32Å; M67-A127 WeakPolarHBondContact SD-CB 3.41Å; M67-V131 HydrophobicContact CB-CG2 4.27Å
68L90.3Very high87.3Confident29 Ų2966.9 Ų66.915%0.15237%0.365CS..Hα-helixtrans-63.9-43.8173.4-78172.9000112.3S64 V65 W70 Q71 L75 N81 L84S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 3.26Å; V65-L68 PolarHBondContact O-N 2.92Å; L68-W70 PolarHBondContact O-N 3.45Å; L68-Q71 WeakPolarHBondContact O-CB 3.06Å; L68-Q71 PolarHBondContact O-N 3.3Å; L68-L75 HydrophobicContact CD1-CD1 4.29Å; L68-L75 HydrophobicContact CD2-CD1 3.99Å; L68-N81 HydrophobicContact CD2-CB 4.09Å; L68-L84 HydrophobicContact CD1-CB 4.42Å; L68-L84 HydrophobicContact CD1-CG 4.07Å; L68-L84 HydrophobicContact CD2-CB 4.03Å; L68-L84 HydrophobicContact CD2-CD2 3.91Å; L68-L84 HydrophobicContact CD2-CG 4.08Å; L68-L84 HydrophobicContact CG-CB 4.29Å; L68-L84 HydrophobicContact CG-CD2 3.73Å; L68-L84 HydrophobicContact CG-CG 3.83Å
69A91Very high87.1Confident86 Ų8665.6 Ų65.671%0.71136%0.359SS*.Hα-helixtrans-64.5-25.9179.900000112.8V65 G66 Q71V65-A69 WeakPolarHBondContact O-CB 3.25Å; V65-A69 PolarHBondContact O-N 2.94Å; G66-A69 PolarHBondContact O-N 2.97Å; A69-Q71 VanDerWaalsContact C-N 3.34Å
70W88.7Confident87.1Confident216 Ų21664.5 Ų64.582%0.81835%0.352SS*.THydrogen-bonded Turntrans-79.9-11173.8-106.6-60.3000114.2G66 M67 L68G66-W70 PolarHBondContact O-N 3.36Å; M67-W70 PolarHBondContact O-N 2.9Å; L68-W70 PolarHBondContact O-N 3.45Å
71Q84.2Confident86.9Confident51 Ų5164.8 Ų64.824%0.23835%0.354CS..  trans-76.3130.5-180-63.3-46-62.300111M67 L68 A69 R73M67-Q71 WeakPolarHBondContact O-CG 3.5Å; M67-Q71 PolarHBondContact O-NE2 3.3Å; M67-Q71 VanDerWaalsContact O-NE2 3.14Å; L68-Q71 WeakPolarHBondContact O-CB 3.06Å; L68-Q71 PolarHBondContact O-N 3.3Å; A69-Q71 VanDerWaalsContact C-N 3.34Å; Q71-R73 PolarHBondContact O-N 3.03Å
72P76.6Confident86.8Confident123 Ų12364.4 Ų64.480%0.79935%0.354SS*.SBendtrans-74.2-10.9179.829.8-34.7000113.2
73R68.8Low86.8Confident178 Ų17860.6 Ų60.667%0.67233%0.331SS*.SBendtrans-100.5148.5-173.5-65-178179.4154.8-2.3110.7Q71Q71-R73 PolarHBondContact O-N 3.03Å
74S74.7Confident86.9Confident82 Ų8259.1 Ų59.157%0.57332%0.322SS*.  trans-47.8145.2171.2178.10000111.3F76 G77S74-F76 PolarHBondContact O-N 3.48Å; S74-F76 VanDerWaalsContact O-N 3.13Å; S74-F76 PolarHBondContact OG-N 3.39Å; S74-G77 PolarHBondContact O-N 3.13Å
75L70.5Confident87Confident78 Ų7860 Ų6041%0.40833%0.331SS..THydrogen-bonded Turntrans-52.9-34.3175.9-173.568.4000111.7L68 G77 V82L68-L75 HydrophobicContact CD1-CD1 4.29Å; L68-L75 HydrophobicContact CD2-CD1 3.99Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-V82 WeakPolarHBondContact O-CG2 3.47Å
76F74.6Confident87.2Confident161 Ų16159.1 Ų59.171%0.70632%0.324SS*.THydrogen-bonded Turntrans-90.112.4-179-59.9-75.3000114.3S74 V82S74-F76 PolarHBondContact O-N 3.48Å; S74-F76 VanDerWaalsContact O-N 3.13Å; S74-F76 PolarHBondContact OG-N 3.39Å; F76-V82 HydrophobicContact CD1-CG2 4.47Å
77G80.1Confident87.3Confident36 Ų3658 Ų5837%0.37131%0.312SS..SBendtrans-81.9-100175.400000111.1S74 L75 Y141S74-G77 PolarHBondContact O-N 3.13Å; L75-G77 VanDerWaalsContact C-N 3.34Å; G77-Y141 PolarHBondContact O-OH 3.5Å
78P87.4Confident87.6Confident35 Ų3556.8 Ų56.823%0.22731%0.307CS..SBendtrans-61.2135.2-180-19.831.7000112G80 N81P78-G80 PolarHBondContact O-N 3.3Å; P78-G80 VanDerWaalsContact O-N 3.11Å; P78-N81 WeakPolarHBondContact O-CB 3.47Å; P78-N81 PolarHBondContact O-N 3.5Å
79P92.8Very high87.9Confident17 Ų1757.7 Ų57.711%0.1132%0.319CS..Hα-helixtrans-53.2-34.2175.5-26.232.9000113.4N81 V82 L83 Y136 W140 Y141P79-N81 VanDerWaalsContact C-N 3.3Å; P79-N81 PolarHBondContact O-N 3.23Å; P79-V82 PolarHBondContact O-N 3Å; P79-L83 WeakPolarHBondContact O-CB 3.3Å; P79-L83 WeakPolarHBondContact O-CD1 3.42Å; P79-L83 VanDerWaalsContact O-CG 3.25Å; P79-L83 WeakPolarHBondContact O-CG 3.11Å; P79-L83 PolarHBondContact O-N 2.84Å; P79-Y136 HydrophobicContact CB-CD1 4.46Å; P79-Y136 HydrophobicContact CB-CD2 3.96Å; P79-Y136 HydrophobicContact CB-CE2 4.42Å; P79-Y136 HydrophobicContact CB-CG 3.97Å; P79-Y136 HydrophobicContact CG-CD2 4.38Å; P79-Y136 HydrophobicContact CG-CG 4.19Å; P79-W140 HydrophobicContact CB-CG 4.42Å; P79-W140 HydrophobicContact CG-CB 4.02Å; P79-W140 HydrophobicContact CG-CG 4.43Å; P79-Y141 WeakPolarHBondContact CA-OH 3.39Å; P79-Y141 HydrophobicContact CG-CD2 4.32Å; P79-Y141 HydrophobicContact CG-CE2 3.8Å
80G93.6Very high88.3Confident2 Ų253.8 Ų53.82%0.02129%0.286CS..Hα-helixtrans-56.4-38.1174.600000114P78 L83 L84P78-G80 PolarHBondContact O-N 3.3Å; P78-G80 VanDerWaalsContact O-N 3.11Å; G80-L83 PolarHBondContact O-N 2.94Å; G80-L84 WeakPolarHBondContact O-CB 3.45Å; G80-L84 PolarHBondContact O-N 2.9Å
81N92.8Very high88.7Confident7 Ų743.8 Ų43.84%0.03725%0.248CC..Hα-helixtrans-69.1-42177.7-72.41.5000111.4L68 P78 P79 L84 G85L68-N81 HydrophobicContact CD2-CB 4.09Å; P78-N81 WeakPolarHBondContact O-CB 3.47Å; P78-N81 PolarHBondContact O-N 3.5Å; P79-N81 VanDerWaalsContact C-N 3.3Å; P79-N81 PolarHBondContact O-N 3.23Å; N81-L84 PolarHBondContact O-N 3.06Å; N81-G85 PolarHBondContact O-N 3.02Å
82V94.1Very high89.3Confident28 Ų2846 Ų4617%0.1726%0.257CS..Hα-helixtrans-62.1-46.1176.2176.90000110.4L75 F76 P79 L84 G85 L86 Y141L75-V82 WeakPolarHBondContact O-CG2 3.47Å; F76-V82 HydrophobicContact CD1-CG2 4.47Å; P79-V82 PolarHBondContact O-N 3Å; V82-L84 PolarHBondContact O-N 3.37Å; V82-G85 CarbonylContact O-C 3.36Å; V82-G85 WeakPolarHBondContact O-CA 3.24Å; V82-G85 PolarHBondContact O-N 2.9Å; V82-L86 PolarHBondContact O-N 2.82Å; V82-Y141 HydrophobicContact CG2-CE1 4.24Å; V82-Y141 VanDerWaalsContact CG2-OH 3.3Å; V82-Y141 WeakPolarHBondContact CG2-OH 3.43Å
83L96.6Very high90.3Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-65.4-38.2178.8-67162000112.1P79 G80 G85 L86 F87 L130 Y136 F146 Y204 A207 T208P79-L83 WeakPolarHBondContact O-CB 3.3Å; P79-L83 WeakPolarHBondContact O-CD1 3.42Å; P79-L83 VanDerWaalsContact O-CG 3.25Å; P79-L83 WeakPolarHBondContact O-CG 3.11Å; P79-L83 PolarHBondContact O-N 2.84Å; G80-L83 PolarHBondContact O-N 2.94Å; L83-G85 VanDerWaalsContact C-N 3.27Å; L83-G85 PolarHBondContact O-N 3.23Å; L83-L86 HydrophobicContact CD2-CD1 4.37Å; L83-L86 PolarHBondContact O-N 2.93Å; L83-F87 PolarHBondContact O-N 2.84Å; L83-F87 VanDerWaalsContact O-N 3.13Å; L83-L130 HydrophobicContact CB-CD1 4.22Å; L83-Y136 HydrophobicContact CD1-CE1 4.13Å; L83-Y136 HydrophobicContact CD1-CE2 4.38Å; L83-Y136 WeakPolarHBondContact CD1-OH 3.34Å; L83-F146 HydrophobicContact CD2-CD2 4.37Å; L83-F146 HydrophobicContact CD2-CE2 3.99Å; L83-F146 HydrophobicContact CG-CE2 4.23Å; L83-Y204 HydrophobicContact CB-CE2 4.49Å; L83-Y204 WeakPolarHBondContact O-CE2 3.32Å; L83-Y204 PolarHBondContact O-OH 3.42Å; L83-A207 HydrophobicContact CD2-CB 3.59Å; L83-T208 HydrophobicContact CB-CG2 4.02Å; L83-T208 HydrophobicContact CD1-CG2 3.98Å; L83-T208 HydrophobicContact CD2-CG2 4.13Å; L83-T208 HydrophobicContact CG-CG2 4.27Å
84L95.8Very high91.6Very high0 Ų032.9 Ų32.90%019%0.192CC..Hα-helixtrans-68.9-29.6172.4-17458.5000111.6M67 L68 G80 N81 V82 F87 S88 A127 L130 V131M67-L84 HydrophobicContact CB-CD2 4.34Å; L68-L84 HydrophobicContact CD1-CB 4.42Å; L68-L84 HydrophobicContact CD1-CG 4.07Å; L68-L84 HydrophobicContact CD2-CB 4.03Å; L68-L84 HydrophobicContact CD2-CD2 3.91Å; L68-L84 HydrophobicContact CD2-CG 4.08Å; L68-L84 HydrophobicContact CG-CB 4.29Å; L68-L84 HydrophobicContact CG-CD2 3.73Å; L68-L84 HydrophobicContact CG-CG 3.83Å; G80-L84 WeakPolarHBondContact O-CB 3.45Å; G80-L84 PolarHBondContact O-N 2.9Å; N81-L84 PolarHBondContact O-N 3.06Å; V82-L84 PolarHBondContact O-N 3.37Å; L84-F87 HydrophobicContact CD1-CB 4.44Å; L84-F87 HydrophobicContact CD1-CD1 4.46Å; L84-F87 PolarHBondContact O-N 3.4Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.43Å; L84-S88 PolarHBondContact O-OG 3.14Å; L84-A127 HydrophobicContact CD1-CB 3.82Å; L84-A127 HydrophobicContact CD2-CB 4.16Å; L84-L130 HydrophobicContact CB-CD1 3.99Å; L84-L130 HydrophobicContact CD1-CD1 4.36Å; L84-V131 HydrophobicContact CD2-CG2 3.77Å
85G95.5Very high92.6Very high18 Ų1829 Ų2919%0.18617%0.165CC..Hα-helixtrans-61.8-44169.500000112.5N81 V82 L83 S88 A89N81-G85 PolarHBondContact O-N 3.02Å; V82-G85 CarbonylContact O-C 3.36Å; V82-G85 WeakPolarHBondContact O-CA 3.24Å; V82-G85 PolarHBondContact O-N 2.9Å; L83-G85 VanDerWaalsContact C-N 3.27Å; L83-G85 PolarHBondContact O-N 3.23Å; G85-S88 WeakPolarHBondContact O-CB 3.29Å; G85-S88 PolarHBondContact O-N 3.27Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.21Å
86L97.1Very high93.9Very high37 Ų3728.3 Ų28.319%0.19416%0.159CC..Hα-helixtrans-61.2-45.2174.4-66.5-179.6000111.9V82 L83 S88 A89 H90 V150 F153 Y204V82-L86 PolarHBondContact O-N 2.82Å; L83-L86 HydrophobicContact CD2-CD1 4.37Å; L83-L86 PolarHBondContact O-N 2.93Å; L86-S88 VanDerWaalsContact C-N 3.31Å; L86-S88 PolarHBondContact O-N 3.05Å; L86-A89 WeakPolarHBondContact O-CB 3.32Å; L86-A89 PolarHBondContact O-N 3.32Å; L86-H90 PolarHBondContact O-N 2.87Å; L86-V150 HydrophobicContact CD1-CG2 4.13Å; L86-F153 HydrophobicContact CB-CD1 4.27Å; L86-F153 HydrophobicContact CB-CE1 3.76Å; L86-F153 HydrophobicContact CB-CZ 3.88Å; L86-F153 HydrophobicContact CD1-CD1 4.18Å; L86-F153 HydrophobicContact CD1-CE1 4.48Å; L86-F153 HydrophobicContact CD2-CD1 4.28Å; L86-F153 HydrophobicContact CD2-CE1 4.11Å; L86-F153 HydrophobicContact CG-CD1 4.49Å; L86-F153 HydrophobicContact CG-CE1 4.34Å; L86-F153 WeakPolarHBondContact O-CZ 3.26Å; L86-Y204 HydrophobicContact CB-CE2 4.34Å
87F97.5Very high94.9Very high0 Ų023.6 Ų23.60%014%0.141CC..Hα-helixtrans-58.2-44.9174.2-174.8-86.1000111.5L83 L84 A89 H90 Y91 Q126 W201 Y204 F216L83-F87 PolarHBondContact O-N 2.84Å; L83-F87 VanDerWaalsContact O-N 3.13Å; L84-F87 HydrophobicContact CD1-CB 4.44Å; L84-F87 HydrophobicContact CD1-CD1 4.46Å; L84-F87 PolarHBondContact O-N 3.4Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 3.39Å; F87-H90 PolarHBondContact O-N 3.04Å; F87-Y91 AromaticContact CD1-CD2 3.75Å; F87-Y91 HydrophobicContact CD1-CD2 3.75Å; F87-Y91 HydrophobicContact CD1-CE2 4.13Å; F87-Y91 HydrophobicContact CD2-CD2 4.39Å; F87-Y91 HydrophobicContact CD2-CE2 4.14Å; F87-Y91 AromaticContact CE1-CD2 3.42Å; F87-Y91 HydrophobicContact CE1-CD2 3.42Å; F87-Y91 VanDerWaalsContact CE1-CD2 3.42Å; F87-Y91 AromaticContact CE1-CE2 3.5Å; F87-Y91 HydrophobicContact CE1-CE2 3.5Å; F87-Y91 HydrophobicContact CE1-CG 4.45Å; F87-Y91 HydrophobicContact CE2-CD2 4.11Å; F87-Y91 AromaticContact CE2-CE2 3.5Å; F87-Y91 HydrophobicContact CE2-CE2 3.5Å; F87-Y91 HydrophobicContact CG-CD2 4.23Å; F87-Y91 HydrophobicContact CG-CE2 4.42Å; F87-Y91 AromaticContact CZ-CD2 3.63Å; F87-Y91 HydrophobicContact CZ-CD2 3.63Å; F87-Y91 AromaticContact CZ-CE2 3.15Å; F87-Y91 HydrophobicContact CZ-CE2 3.15Å; F87-Y91 WeakPolarHBondContact O-CD2 3.18Å; F87-Y91 PolarHBondContact O-N 2.95Å; F87-Y91 VanDerWaalsContact O-N 3.08Å; F87-Q126 HydrophobicContact CD2-CB 4.39Å; F87-Q126 HydrophobicContact CD2-CG 4.46Å; F87-Q126 HydrophobicContact CE2-CB 3.97Å; F87-Q126 HydrophobicContact CE2-CG 3.76Å; F87-Q126 HydrophobicContact CZ-CB 4.15Å; F87-Q126 HydrophobicContact CZ-CG 4.15Å; F87-W201 AromaticContact CD2-CH2 3.77Å; F87-W201 HydrophobicContact CD2-CH2 3.77Å; F87-W201 AromaticContact CD2-CZ3 3.67Å; F87-W201 HydrophobicContact CD2-CZ3 3.67Å; F87-W201 AromaticContact CE2-CH2 3.93Å; F87-W201 HydrophobicContact CE2-CH2 3.93Å; F87-W201 HydrophobicContact CE2-CZ3 4.03Å; F87-Y204 HydrophobicContact CB-CE2 4.2Å; F87-Y204 WeakPolarHBondContact CB-OH 3.26Å; F87-Y204 HydrophobicContact CD2-CE1 4.18Å; F87-F216 HydrophobicContact CE2-CE1 4.31Å
88S96.6Very high95.6Very high9 Ų923.6 Ų23.66%0.06313%0.13CC..Hα-helixtrans-63.4-38.3177-56.10000112F61 S64 L84 G85 L86 Y91 F92F61-S88 WeakPolarHBondContact CD2-O 3.38Å; S64-S88 VanDerWaalsContact CB-OG 3.28Å; S64-S88 WeakPolarHBondContact CB-OG 3.44Å; S64-S88 PolarHBondContact OG-OG 2.98Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.43Å; L84-S88 PolarHBondContact O-OG 3.14Å; G85-S88 WeakPolarHBondContact O-CB 3.29Å; G85-S88 PolarHBondContact O-N 3.27Å; L86-S88 VanDerWaalsContact C-N 3.31Å; L86-S88 PolarHBondContact O-N 3.05Å; S88-Y91 PolarHBondContact O-N 3.49Å; S88-F92 VanDerWaalsContact O-CB 3.26Å; S88-F92 WeakPolarHBondContact O-CB 3.32Å; S88-F92 PolarHBondContact O-N 3.28Å
89A97.2Very high95.9Very high47 Ų4722 Ų2239%0.38812%0.119SC..Hα-helixtrans-65.6-41.3177.300000112.2G85 L86 F87 F92 H93G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.21Å; L86-A89 WeakPolarHBondContact O-CB 3.32Å; L86-A89 PolarHBondContact O-N 3.32Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 3.39Å; A89-F92 PolarHBondContact O-N 2.99Å; A89-H93 PolarHBondContact O-N 3.49Å; A89-H93 VanDerWaalsContact O-N 3.11Å
90H98.2Very high95.9Very high4 Ų425.3 Ų25.32%0.01914%0.135CC..Hα-helixtrans-57.4-55.5171.8174.794000110.9L86 F87 F92 H93 R94 F153 E200 W201L86-H90 PolarHBondContact O-N 2.87Å; F87-H90 PolarHBondContact O-N 3.04Å; H90-F92 VanDerWaalsContact C-N 3.27Å; H90-F92 PolarHBondContact O-N 2.85Å; H90-H93 PolarHBondContact O-N 3.46Å; H90-H93 VanDerWaalsContact O-N 3.14Å; H90-R94 PolarHBondContact O-N 3.48Å; H90-F153 HydrophobicContact CB-CZ 4.24Å; H90-E200 IonicContact CE1-OE1 3.62Å; H90-E200 IonicContact CE1-OE2 2.9Å; H90-E200 PolarHBondContact CE1-OE2 3.11Å; H90-E200 IonicContact CG-OE1 3.96Å; H90-E200 IonicContact ND1-OE1 2.79Å; H90-E200 PolarHBondContact ND1-OE1 3.14Å; H90-E200 IonicContact ND1-OE2 3.68Å; H90-E200 PolarHBondContact ND1-OE2 3.34Å; H90-E200 VanDerWaalsContact ND1-OE2 3.16Å; H90-W201 HydrophobicContact CB-CH2 4.31Å; H90-W201 AromaticContact CD2-CH2 3.93Å; H90-W201 AromaticContact CD2-CZ2 3.53Å; H90-W201 AromaticContact CE1-CZ2 3.83Å; H90-W201 AromaticContact CG-CH2 3.98Å; H90-W201 AromaticContact CG-CZ2 3.81Å; H90-W201 AromaticContact ND1-CZ2 3.99Å; H90-W201 AromaticContact NE2-CZ2 3.59Å
91Y97.5Very high95.8Very high7 Ų729.2 Ų29.23%0.02716%0.155CC..Hα-helixtrans-70.3-23.8-176.1-82.1-78.1000113.1E57 S60 F87 S88 T95 W201E57-Y91 WeakPolarHBondContact OE2-CE1 3.49Å; S60-Y91 VanDerWaalsContact CB-CD1 3.44Å; F87-Y91 AromaticContact CD1-CD2 3.75Å; F87-Y91 HydrophobicContact CD1-CD2 3.75Å; F87-Y91 HydrophobicContact CD1-CE2 4.13Å; F87-Y91 HydrophobicContact CD2-CD2 4.39Å; F87-Y91 HydrophobicContact CD2-CE2 4.14Å; F87-Y91 AromaticContact CE1-CD2 3.42Å; F87-Y91 HydrophobicContact CE1-CD2 3.42Å; F87-Y91 VanDerWaalsContact CE1-CD2 3.42Å; F87-Y91 AromaticContact CE1-CE2 3.5Å; F87-Y91 HydrophobicContact CE1-CE2 3.5Å; F87-Y91 HydrophobicContact CE1-CG 4.45Å; F87-Y91 HydrophobicContact CE2-CD2 4.11Å; F87-Y91 AromaticContact CE2-CE2 3.5Å; F87-Y91 HydrophobicContact CE2-CE2 3.5Å; F87-Y91 HydrophobicContact CG-CD2 4.23Å; F87-Y91 HydrophobicContact CG-CE2 4.42Å; F87-Y91 AromaticContact CZ-CD2 3.63Å; F87-Y91 HydrophobicContact CZ-CD2 3.63Å; F87-Y91 AromaticContact CZ-CE2 3.15Å; F87-Y91 HydrophobicContact CZ-CE2 3.15Å; F87-Y91 WeakPolarHBondContact O-CD2 3.18Å; F87-Y91 PolarHBondContact O-N 2.95Å; F87-Y91 VanDerWaalsContact O-N 3.08Å; S88-Y91 PolarHBondContact O-N 3.49Å; Y91-T95 WeakPolarHBondContact O-CB 3.39Å; Y91-T95 PolarHBondContact O-N 2.86Å; Y91-T95 PolarHBondContact O-OG1 3.42Å; Y91-W201 HydrophobicContact CD2-CH2 4.43Å; Y91-W201 AromaticContact CE2-CH2 3.83Å; Y91-W201 HydrophobicContact CE2-CH2 3.83Å; Y91-W201 HydrophobicContact CE2-CZ2 4.06Å
92F97.6Very high95.7Very high97 Ų9729.5 Ų29.543%0.42516%0.157SC..Hα-helixtrans-62.2-52.9167.6177.7-98.4000110.6F61 S88 A89 H90 R94 T95 F96 I97F61-F92 HydrophobicContact CD2-CB 3.93Å; F61-F92 HydrophobicContact CE2-CB 3.64Å; F61-F92 AromaticContact CE2-CD2 3.85Å; F61-F92 HydrophobicContact CE2-CD2 3.85Å; F61-F92 HydrophobicContact CE2-CG 4.22Å; F61-F92 HydrophobicContact CZ-CB 4.49Å; F61-F92 AromaticContact CZ-CD2 3.86Å; F61-F92 HydrophobicContact CZ-CD2 3.86Å; S88-F92 VanDerWaalsContact O-CB 3.26Å; S88-F92 WeakPolarHBondContact O-CB 3.32Å; S88-F92 PolarHBondContact O-N 3.28Å; A89-F92 PolarHBondContact O-N 2.99Å; H90-F92 VanDerWaalsContact C-N 3.27Å; H90-F92 PolarHBondContact O-N 2.85Å; F92-R94 PolarHBondContact O-N 2.87Å; F92-T95 PolarHBondContact O-N 3.47Å; F92-F96 AromaticContact CD2-CD2 3.43Å; F92-F96 HydrophobicContact CD2-CD2 3.43Å; F92-F96 VanDerWaalsContact CD2-CD2 3.43Å; F92-F96 AromaticContact CD2-CE2 3.95Å; F92-F96 HydrophobicContact CD2-CE2 3.95Å; F92-F96 HydrophobicContact CD2-CG 4.23Å; F92-F96 HydrophobicContact CE2-CB 4.25Å; F92-F96 AromaticContact CE2-CD2 3.72Å; F92-F96 HydrophobicContact CE2-CD2 3.72Å; F92-F96 HydrophobicContact CE2-CE2 4.35Å; F92-F96 HydrophobicContact CE2-CG 4.09Å; F92-F96 HydrophobicContact CG-CD2 4.17Å; F92-F96 HydrophobicContact CZ-CB 4.43Å; F92-F96 WeakPolarHBondContact O-CD2 3.41Å; F92-F96 PolarHBondContact O-N 2.89Å; F92-I97 HydrophobicContact CE1-CD1 4.25Å
93H97.6Very high95.3Very high17 Ų1732.1 Ų32.18%0.07916%0.164CC..Iπ-helixtrans-60.1-47.4176.7171.6-85.1000110.9A89 H90 T95 I97 Y98 M157 I161A89-H93 PolarHBondContact O-N 3.49Å; A89-H93 VanDerWaalsContact O-N 3.11Å; H90-H93 PolarHBondContact O-N 3.46Å; H90-H93 VanDerWaalsContact O-N 3.14Å; H93-T95 VanDerWaalsContact C-N 3.35Å; H93-T95 PolarHBondContact O-N 3.11Å; H93-I97 HydrophobicContact CB-CD1 4.46Å; H93-I97 CarbonylContact O-C 3.57Å; H93-I97 WeakPolarHBondContact O-CA 3.25Å; H93-I97 VanDerWaalsContact O-CB 3.29Å; H93-I97 WeakPolarHBondContact O-CB 3.16Å; H93-I97 PolarHBondContact O-N 3.22Å; H93-Y98 PolarHBondContact O-N 2.98Å; H93-M157 HydrophobicContact CB-CE 4.06Å; H93-I161 VanDerWaalsContact CE1-CG1 3.49Å; H93-I161 WeakPolarHBondContact CE1-CG1 3.41Å
94R96.3Very high94.7Very high8 Ų833.8 Ų33.83%0.0318%0.181CC..Iπ-helixtrans-59.3-45.4-179.1-176.760.270.8-1510.2111.3E57 H90 F92 Y98 S99 N160 D164 E197E57-R94 HydrophobicContact CB-CG 4.21Å; E57-R94 HydrophobicContact CG-CG 3.8Å; H90-R94 PolarHBondContact O-N 3.48Å; F92-R94 PolarHBondContact O-N 2.87Å; R94-Y98 WeakPolarHBondContact O-CB 3.2Å; R94-S99 PolarHBondContact O-N 3.35Å; R94-S99 PolarHBondContact O-OG 3.27Å; R94-N160 PolarHBondContact NH2-ND2 2.79Å; R94-N160 PolarHBondContact NH2-OD1 3.32Å; R94-D164 IonicContact CZ-OD2 3.43Å; R94-D164 IonicContact NH1-OD2 3.71Å; R94-D164 PolarHBondContact NH1-OD2 2.92Å; R94-D164 IonicContact NH2-OD2 3.16Å; R94-E197 IonicContact CZ-OE2 2.96Å; R94-E197 IonicContact NH2-OE2 3.69Å; R94-E197 PolarHBondContact NH2-OE2 2.89Å
95T96Very high94.1Very high0 Ų038 Ų380%020%0.197CC..Iπ-helixtrans-77.8-53-176.3-54.70000113.1F54 E57 L58 Y91 F92 H93 S99F54-T95 HydrophobicContact CD2-CG2 3.85Å; F54-T95 WeakPolarHBondContact CD2-O 3.14Å; F54-T95 HydrophobicContact CE2-CG2 3.85Å; F54-T95 HydrophobicContact CG-CG2 4.46Å; F54-T95 HydrophobicContact CZ-CG2 4.46Å; E57-T95 WeakPolarHBondContact CB-OG1 3.35Å; L58-T95 HydrophobicContact CB-CG2 4Å; L58-T95 HydrophobicContact CD1-CG2 3.91Å; Y91-T95 WeakPolarHBondContact O-CB 3.39Å; Y91-T95 PolarHBondContact O-N 2.86Å; Y91-T95 PolarHBondContact O-OG1 3.42Å; F92-T95 PolarHBondContact O-N 3.47Å; H93-T95 VanDerWaalsContact C-N 3.35Å; H93-T95 PolarHBondContact O-N 3.11Å; T95-S99 VanDerWaalsContact O-CB 3.29Å; T95-S99 WeakPolarHBondContact O-CB 3.16Å
96F96.9Very high93.7Very high64 Ų6440.7 Ų40.728%0.28121%0.211SC..Iπ-helixtrans-93.9-18.7-169.5-61.5-82.2000113.7F54 L58 F61 F92 L100F54-F96 AromaticContact CE2-CD1 3.88Å; F54-F96 HydrophobicContact CE2-CD1 3.88Å; F54-F96 AromaticContact CE2-CE1 3.85Å; F54-F96 HydrophobicContact CE2-CE1 3.85Å; F54-F96 HydrophobicContact CZ-CE1 4.08Å; L58-F96 HydrophobicContact CD1-CZ 3.96Å; F61-F96 AromaticContact CD1-CE2 3.54Å; F61-F96 HydrophobicContact CD1-CE2 3.54Å; F61-F96 HydrophobicContact CD1-CZ 4.04Å; F61-F96 AromaticContact CE1-CE2 3.48Å; F61-F96 HydrophobicContact CE1-CE2 3.48Å; F61-F96 VanDerWaalsContact CE1-CE2 3.48Å; F61-F96 AromaticContact CE1-CZ 3.92Å; F61-F96 HydrophobicContact CE1-CZ 3.92Å; F61-F96 HydrophobicContact CG-CE2 4.09Å; F61-F96 AromaticContact CZ-CE2 4Å; F61-F96 HydrophobicContact CZ-CE2 4Å; F92-F96 AromaticContact CD2-CD2 3.43Å; F92-F96 HydrophobicContact CD2-CD2 3.43Å; F92-F96 VanDerWaalsContact CD2-CD2 3.43Å; F92-F96 AromaticContact CD2-CE2 3.95Å; F92-F96 HydrophobicContact CD2-CE2 3.95Å; F92-F96 HydrophobicContact CD2-CG 4.23Å; F92-F96 HydrophobicContact CE2-CB 4.25Å; F92-F96 AromaticContact CE2-CD2 3.72Å; F92-F96 HydrophobicContact CE2-CD2 3.72Å; F92-F96 HydrophobicContact CE2-CE2 4.35Å; F92-F96 HydrophobicContact CE2-CG 4.09Å; F92-F96 HydrophobicContact CG-CD2 4.17Å; F92-F96 HydrophobicContact CZ-CB 4.43Å; F92-F96 WeakPolarHBondContact O-CD2 3.41Å; F92-F96 PolarHBondContact O-N 2.89Å; F96-L100 WeakPolarHBondContact O-CD1 3.44Å; F96-L100 WeakPolarHBondContact O-CG 3.25Å
97I95.7Very high93.1Very high63 Ų6339.3 Ų39.332%0.32320%0.204SC..Iπ-helixtrans-109-59.6-178.8-57.1176000110F92 H93 L101F92-I97 HydrophobicContact CE1-CD1 4.25Å; H93-I97 HydrophobicContact CB-CD1 4.46Å; H93-I97 CarbonylContact O-C 3.57Å; H93-I97 WeakPolarHBondContact O-CA 3.25Å; H93-I97 VanDerWaalsContact O-CB 3.29Å; H93-I97 WeakPolarHBondContact O-CB 3.16Å; H93-I97 PolarHBondContact O-N 3.22Å; I97-L101 HydrophobicContact CG2-CD1 4.01Å; I97-L101 VanDerWaalsContact O-CB 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 WeakPolarHBondContact O-CD1 3.41Å; I97-L101 WeakPolarHBondContact O-CG 3.3Å; I97-L101 PolarHBondContact O-N 3.49Å
98Y95.3Very high92.6Very high36 Ų3640.1 Ų40.114%0.14121%0.209CC..Iπ-helixtrans-65.5-51.4-177.4170.4-92000112W53 H93 R94 L100 L101 T102 D164W53-Y98 AromaticContact CD2-CE1 3.89Å; W53-Y98 HydrophobicContact CD2-CE1 3.89Å; W53-Y98 HydrophobicContact CE3-CD1 4.47Å; W53-Y98 AromaticContact CE3-CE1 3.83Å; W53-Y98 HydrophobicContact CE3-CE1 3.83Å; W53-Y98 HydrophobicContact CG-CE1 4.35Å; W53-Y98 HydrophobicContact CZ3-CE1 4.22Å; H93-Y98 PolarHBondContact O-N 2.98Å; R94-Y98 WeakPolarHBondContact O-CB 3.2Å; Y98-L100 VanDerWaalsContact C-N 3.35Å; Y98-L100 PolarHBondContact O-N 2.84Å; Y98-L101 CarbonylContact O-C 3.26Å; Y98-L101 PolarHBondContact O-N 3.33Å; Y98-T102 WeakPolarHBondContact O-CB 3.35Å; Y98-T102 PolarHBondContact O-N 2.91Å; Y98-D164 HydrophobicContact CD2-CB 4.1Å; Y98-D164 WeakPolarHBondContact CD2-OD2 3.28Å; Y98-D164 HydrophobicContact CE2-CB 4.16Å; Y98-D164 WeakPolarHBondContact CE2-OD2 3.42Å
99S93.5Very high92.2Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-64.5-37.4-176.3-54.60000112.8R50 W53 R94 T95 L101 T102R50-S99 WeakPolarHBondContact CA-O 3.37Å; W53-S99 VanDerWaalsContact C-CB 3.5Å; W53-S99 WeakPolarHBondContact CB-OG 3.46Å; W53-S99 PolarHBondContact O-OG 3.48Å; R94-S99 PolarHBondContact O-N 3.35Å; R94-S99 PolarHBondContact O-OG 3.27Å; T95-S99 VanDerWaalsContact O-CB 3.29Å; T95-S99 WeakPolarHBondContact O-CB 3.16Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.84Å; S99-T102 WeakPolarHBondContact O-CG2 3.31Å
100L92.8Very high91.8Very high88 Ų8841.9 Ų41.946%0.46122%0.216SC..Hα-helixtrans-69.7-32.1177.4-62.4-168.4000112.6F54 F96 Y98F54-L100 HydrophobicContact CD2-CD2 3.82Å; F54-L100 HydrophobicContact CD2-CG 4.48Å; F54-L100 HydrophobicContact CE2-CD2 4.35Å; F96-L100 WeakPolarHBondContact O-CD1 3.44Å; F96-L100 WeakPolarHBondContact O-CG 3.25Å; Y98-L100 VanDerWaalsContact C-N 3.35Å; Y98-L100 PolarHBondContact O-N 2.84Å
101L92.5Very high91.3Very high84 Ų8443.3 Ų43.344%0.4422%0.224SC..Hα-helixtrans-96.9-0.6-176.6-60.4173.9000113.4I97 Y98 S99 R168I97-L101 HydrophobicContact CG2-CD1 4.01Å; I97-L101 VanDerWaalsContact O-CB 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 WeakPolarHBondContact O-CD1 3.41Å; I97-L101 WeakPolarHBondContact O-CG 3.3Å; I97-L101 PolarHBondContact O-N 3.49Å; Y98-L101 CarbonylContact O-C 3.26Å; Y98-L101 PolarHBondContact O-N 3.33Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.84Å; L101-R168 VanDerWaalsContact CB-CZ 3.5Å; L101-R168 VanDerWaalsContact CB-NH1 3.31Å; L101-R168 WeakPolarHBondContact O-CD 3.47Å
102T89.6Confident91Very high12 Ų1244.3 Ų44.37%0.07423%0.229CC..  trans-64.3142.6-177.1-163.50000112.3A49 R50 Y98 S99A49-T102 HydrophobicContact CB-CG2 4.1Å; R50-T102 HydrophobicContact CB-CG2 4.43Å; R50-T102 HydrophobicContact CG-CG2 3.84Å; R50-T102 PolarHBondContact NE-O 3.47Å; Y98-T102 WeakPolarHBondContact O-CB 3.35Å; Y98-T102 PolarHBondContact O-N 2.91Å; S99-T102 WeakPolarHBondContact O-CG2 3.31Å
103R86.8Confident90.8Very high84 Ų8445 Ų4532%0.31724%0.236SC..  trans-11838.8176.9-59.3-177.5-178.7169-1.2110.2R168 R171R103-R168 HydrophobicContact CG-CG 4.25Å; R103-R168 PolarHBondContact NH1-O 2.68Å; R103-R171 HydrophobicContact CB-CB 4.37Å; R103-R171 WeakPolarHBondContact CD-O 3.43Å; R103-R171 PolarHBondContact NH1-O 3.26Å; R103-R171 WeakPolarHBondContact O-CD 3.23Å; R103-R171 PolarHBondContact O-NH1 2.91Å
104G82.7Confident90.5Very high34 Ų3451.3 Ų51.335%0.35126%0.263SS..PPolyproline II helixtrans-81.1164.3-178.900000113.8
105R84.3Confident90.3Very high90 Ų9052 Ų5234%0.3427%0.271SS..PPolyproline II helixtrans-71.5153.3168.6-70.8-175.8-179.2-157.5-7.9110.4A49 V176A49-R105 WeakPolarHBondContact CB-O 3.46Å; R105-V176 HydrophobicContact CG-CG1 3.62Å; R105-V176 VanDerWaalsContact CZ-CG1 3.43Å; R105-V176 PolarHBondContact NH2-O 3.43Å; R105-V176 VanDerWaalsContact NH2-O 3.13Å
106P85.4Confident90.3Very high73 Ų7353.2 Ų53.247%0.47428%0.278SS..PPolyproline II helixtrans-51.3144.6171.3-25.834.9000112.4L46 L47L46-P106 HydrophobicContact CB-CB 3.96Å; L46-P106 HydrophobicContact CD1-CB 4.49Å; L47-P106 CarbonylContact O-C 3.54Å; L47-P106 VanDerWaalsContact O-CA 3.23Å; L47-P106 WeakPolarHBondContact O-CA 3.25Å; L47-P106 WeakPolarHBondContact O-CB 3.48Å
107L85.3Confident90.2Very high9 Ų953.1 Ų53.15%0.04729%0.289CS..EExtended strand (participates in β ladder)trans-104143.1-177.2-167.470.5000110Y33 L46 L47 A52 I111 F112Y33-L107 HydrophobicContact CG-CD1 4.07Å; L46-L107 WeakPolarHBondContact CA-O 3.48Å; L47-L107 PolarHBondContact N-O 2.86Å; L47-L107 PolarHBondContact O-N 3.36Å; A52-L107 HydrophobicContact CB-CB 4.03Å; A52-L107 HydrophobicContact CB-CD2 3.95Å; L107-I111 HydrophobicContact CD1-CB 4.14Å; L107-I111 HydrophobicContact CD1-CD1 4.34Å; L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CD2-CB 4.35Å; L107-I111 HydrophobicContact CD2-CG2 4.06Å; L107-I111 HydrophobicContact CG-CB 4.13Å; L107-I111 HydrophobicContact CG-CG2 4.17Å; L107-F112 HydrophobicContact CD2-CB 4.13Å
108S87.4Confident90.2Very high16 Ų1651.8 Ų51.811%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-65.4142.1171.173.70000111.1V110 I111 F112S108-V110 PolarHBondContact O-N 2.96Å; S108-I111 PolarHBondContact O-N 3.07Å; S108-I111 VanDerWaalsContact O-N 3.15Å; S108-I111 WeakPolarHBondContact OG-CD1 3.34Å; S108-I111 VanDerWaalsContact OG-CG1 3.25Å; S108-I111 WeakPolarHBondContact OG-CG1 3.19Å; S108-I111 PolarHBondContact OG-N 3.49Å; S108-F112 PolarHBondContact O-N 3.2Å; S108-F112 VanDerWaalsContact O-N 3.09Å
109A88.2Confident90.2Very high19 Ų1950.3 Ų50.316%0.15728%0.276CS..Hα-helixtrans-57.9-31.1176.300000112.8P45 L47 F112 L113P45-A109 HydrophobicContact CG-CB 3.79Å; P45-A109 PolarHBondContact O-N 3.1Å; L47-A109 HydrophobicContact CD1-CB 4.46Å; A109-F112 WeakPolarHBondContact O-CB 3.48Å; A109-F112 PolarHBondContact O-N 2.86Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.49Å
110V88.5Confident90.3Very high74 Ų7453.8 Ų53.845%0.44829%0.294SS..Hα-helixtrans-64.3-44.4177.5178.60000111.6V44 S108 K114V44-V110 HydrophobicContact CG1-CG2 4.15Å; S108-V110 PolarHBondContact O-N 2.96Å; V110-K114 HydrophobicContact CG1-CD 4.47Å; V110-K114 WeakPolarHBondContact O-CG 3.18Å; V110-K114 PolarHBondContact O-N 2.92Å
111I88Confident90.4Very high34 Ų3451.4 Ų51.417%0.17429%0.291CS..Hα-helixtrans-68.7-41.8178.1-64.3169.4000110S32 Y33 L107 S108 L113 K114 A115S32-I111 VanDerWaalsContact C-CD1 3.41Å; S32-I111 WeakPolarHBondContact O-CD1 3.32Å; Y33-I111 HydrophobicContact CD1-CG2 4.21Å; L107-I111 HydrophobicContact CD1-CB 4.14Å; L107-I111 HydrophobicContact CD1-CD1 4.34Å; L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CD2-CB 4.35Å; L107-I111 HydrophobicContact CD2-CG2 4.06Å; L107-I111 HydrophobicContact CG-CB 4.13Å; L107-I111 HydrophobicContact CG-CG2 4.17Å; S108-I111 PolarHBondContact O-N 3.07Å; S108-I111 VanDerWaalsContact O-N 3.15Å; S108-I111 WeakPolarHBondContact OG-CD1 3.34Å; S108-I111 VanDerWaalsContact OG-CG1 3.25Å; S108-I111 WeakPolarHBondContact OG-CG1 3.19Å; S108-I111 PolarHBondContact OG-N 3.49Å; I111-L113 PolarHBondContact O-N 3.44Å; I111-K114 PolarHBondContact O-N 3.13Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.16Å
112F91Very high90.6Very high29 Ų2947.5 Ų47.513%0.12727%0.27CS..Hα-helixtrans-54.1-52.7174.3167.2-107.4000111.7L47 A52 L55 Q56 L107 S108 A109 K114 A115 T116L47-F112 HydrophobicContact CD1-CB 3.83Å; L47-F112 HydrophobicContact CD1-CD1 3.51Å; L47-F112 HydrophobicContact CD1-CD2 4.28Å; L47-F112 HydrophobicContact CD1-CE1 4.16Å; L47-F112 HydrophobicContact CD1-CG 3.58Å; A52-F112 HydrophobicContact CB-CD2 4.13Å; L55-F112 HydrophobicContact CB-CE2 3.61Å; L55-F112 HydrophobicContact CB-CZ 3.79Å; L55-F112 HydrophobicContact CD1-CZ 4.25Å; Q56-F112 HydrophobicContact CB-CD2 4Å; Q56-F112 HydrophobicContact CB-CE2 4.01Å; L107-F112 HydrophobicContact CD2-CB 4.13Å; S108-F112 PolarHBondContact O-N 3.2Å; S108-F112 VanDerWaalsContact O-N 3.09Å; A109-F112 WeakPolarHBondContact O-CB 3.48Å; A109-F112 PolarHBondContact O-N 2.86Å; F112-K114 VanDerWaalsContact C-N 3.33Å; F112-K114 PolarHBondContact O-N 3.44Å; F112-A115 PolarHBondContact O-N 2.77Å; F112-T116 WeakPolarHBondContact CE2-OG1 3.34Å; F112-T116 PolarHBondContact O-N 3.29Å; F112-T116 PolarHBondContact O-OG1 2.9Å
113L92.5Very high90.9Very high112 Ų11247 Ų4759%0.58627%0.267SS*.Hα-helixtrans-60.7-40.9-179.3-71.2172.6000112.5A109 I111 T116 A117A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.49Å; I111-L113 PolarHBondContact O-N 3.44Å; L113-T116 PolarHBondContact O-N 3.48Å; L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 2.86Å
114K92.1Very high91.4Very high148 Ų14846.6 Ų46.664%0.64327%0.271SS*.Hα-helixtrans-63.5-43.8175.9-73.5178.6177.2-174.40112V110 I111 F112 F118V110-K114 HydrophobicContact CG1-CD 4.47Å; V110-K114 WeakPolarHBondContact O-CG 3.18Å; V110-K114 PolarHBondContact O-N 2.92Å; I111-K114 PolarHBondContact O-N 3.13Å; F112-K114 VanDerWaalsContact C-N 3.33Å; F112-K114 PolarHBondContact O-N 3.44Å; K114-F118 WeakPolarHBondContact O-CB 3.31Å; K114-F118 PolarHBondContact O-N 3.39Å
115A92.8Very high92Very high23 Ų2345.8 Ų45.819%0.1926%0.259CS..Hα-helixtrans-66-42178.100000111.7Q56 I111 F112 F118 C119Q56-A115 HydrophobicContact CB-CB 4.02Å; Q56-A115 HydrophobicContact CG-CB 4.22Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.16Å; F112-A115 PolarHBondContact O-N 2.77Å; A115-F118 WeakPolarHBondContact O-CB 3.36Å; A115-F118 PolarHBondContact O-N 2.9Å; A115-C119 PolarHBondContact O-N 2.73Å; A115-C119 PolarHBondContact O-SG 3.13Å
116T94.4Very high92.6Very high26 Ų2641.6 Ų41.616%0.1624%0.243CC..Hα-helixtrans-61.9-47176.1-56.40000111.4Q56 P59 F112 L113 F118 C119 I120Q56-T116 WeakPolarHBondContact CA-OG1 3.42Å; P59-T116 HydrophobicContact CG-CG2 4.33Å; F112-T116 WeakPolarHBondContact CE2-OG1 3.34Å; F112-T116 PolarHBondContact O-N 3.29Å; F112-T116 PolarHBondContact O-OG1 2.9Å; L113-T116 PolarHBondContact O-N 3.48Å; T116-F118 VanDerWaalsContact C-N 3.3Å; T116-F118 PolarHBondContact O-N 3.47Å; T116-C119 PolarHBondContact O-N 2.74Å; T116-I120 HydrophobicContact CG2-CD1 4.01Å; T116-I120 VanDerWaalsContact O-CG1 3.32Å; T116-I120 WeakPolarHBondContact O-CG1 2.93Å; T116-I120 PolarHBondContact O-N 3.04Å
117A95.3Very high93.1Very high62 Ų6238.1 Ų38.151%0.51222%0.22SC..Hα-helixtrans-60.6-41.4176.900000111.9L113 G121L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 2.86Å; A117-G121 PolarHBondContact O-N 3.04Å
118F95.6Very high93.6Very high35 Ų3540 Ų4015%0.15423%0.227CC..Hα-helixtrans-60.7-48.8174.4177.5-90.1000111.9L17 M20 K114 A115 T116 I120 G121 N122 F216 F219L17-F118 HydrophobicContact CD2-CD2 4.16Å; L17-F118 HydrophobicContact CD2-CE2 3.33Å; L17-F118 HydrophobicContact CD2-CZ 3.87Å; M20-F118 HydrophobicContact CE-CD2 3.73Å; M20-F118 HydrophobicContact CE-CE2 4.27Å; M20-F118 HydrophobicContact SD-CD2 4.44Å; K114-F118 WeakPolarHBondContact O-CB 3.31Å; K114-F118 PolarHBondContact O-N 3.39Å; A115-F118 WeakPolarHBondContact O-CB 3.36Å; A115-F118 PolarHBondContact O-N 2.9Å; T116-F118 VanDerWaalsContact C-N 3.3Å; T116-F118 PolarHBondContact O-N 3.47Å; F118-I120 VanDerWaalsContact C-N 3.35Å; F118-I120 PolarHBondContact O-N 3.32Å; F118-G121 PolarHBondContact O-N 3.27Å; F118-N122 HydrophobicContact CD1-CB 4.5Å; F118-N122 HydrophobicContact CE1-CB 4.14Å; F118-N122 HydrophobicContact CZ-CB 4.32Å; F118-N122 VanDerWaalsContact O-CB 3.24Å; F118-N122 WeakPolarHBondContact O-CB 3.44Å; F118-N122 PolarHBondContact O-N 2.97Å; F118-F216 AromaticContact CE1-CE2 3.97Å; F118-F216 HydrophobicContact CE1-CE2 3.97Å; F118-F216 HydrophobicContact CZ-CD2 4.01Å; F118-F216 AromaticContact CZ-CE2 3.82Å; F118-F216 HydrophobicContact CZ-CE2 3.82Å; F118-F219 HydrophobicContact CD2-CE1 4.25Å; F118-F219 HydrophobicContact CD2-CE2 4.5Å; F118-F219 HydrophobicContact CD2-CZ 4.04Å; F118-F219 HydrophobicContact CE1-CD1 4.41Å; F118-F219 AromaticContact CE1-CE1 3.91Å; F118-F219 HydrophobicContact CE1-CE1 3.91Å; F118-F219 AromaticContact CE2-CD1 3.66Å; F118-F219 HydrophobicContact CE2-CD1 3.66Å; F118-F219 HydrophobicContact CE2-CD2 4.16Å; F118-F219 AromaticContact CE2-CE1 3.34Å; F118-F219 HydrophobicContact CE2-CE1 3.34Å; F118-F219 AromaticContact CE2-CE2 3.87Å; F118-F219 HydrophobicContact CE2-CE2 3.87Å; F118-F219 HydrophobicContact CE2-CG 4.07Å; F118-F219 AromaticContact CE2-CZ 3.45Å; F118-F219 HydrophobicContact CE2-CZ 3.45Å; F118-F219 VanDerWaalsContact CE2-CZ 3.45Å; F118-F219 AromaticContact CZ-CD1 3.38Å; F118-F219 HydrophobicContact CZ-CD1 3.38Å; F118-F219 AromaticContact CZ-CE1 3.16Å; F118-F219 HydrophobicContact CZ-CE1 3.16Å; F118-F219 HydrophobicContact CZ-CG 4.18Å; F118-F219 AromaticContact CZ-CZ 3.79Å; F118-F219 HydrophobicContact CZ-CZ 3.79Å
119C95.7Very high94Very high4 Ų441 Ų413%0.02723%0.228CC..Hα-helixtrans-66.1-35.6-177.9-67.80000112.6Q56 S60 A115 T116 G123Q56-C119 WeakPolarHBondContact O-CB 3.43Å; Q56-C119 PolarHBondContact O-SG 3.12Å; S60-C119 WeakPolarHBondContact OG-CA 3.32Å; S60-C119 VanDerWaalsContact OG-CB 3.29Å; S60-C119 WeakPolarHBondContact OG-CB 3.44Å; S60-C119 PolarHBondContact OG-O 3.31Å; A115-C119 PolarHBondContact O-N 2.73Å; A115-C119 PolarHBondContact O-SG 3.13Å; T116-C119 PolarHBondContact O-N 2.74Å; C119-G123 WeakPolarHBondContact O-CA 3.42Å; C119-G123 PolarHBondContact O-N 3.28Å
120I95.2Very high94.3Very high73 Ų7340.4 Ų40.437%0.37422%0.223SC..Hα-helixtrans-61.9-54.4172-68164000109.9P59 T116 F118 G123 L124P59-I120 HydrophobicContact CB-CB 4.38Å; P59-I120 HydrophobicContact CB-CG1 3.43Å; P59-I120 VanDerWaalsContact CB-CG1 3.43Å; P59-I120 HydrophobicContact CG-CD1 4.45Å; P59-I120 HydrophobicContact CG-CG1 3.77Å; T116-I120 HydrophobicContact CG2-CD1 4.01Å; T116-I120 VanDerWaalsContact O-CG1 3.32Å; T116-I120 WeakPolarHBondContact O-CG1 2.93Å; T116-I120 PolarHBondContact O-N 3.04Å; F118-I120 VanDerWaalsContact C-N 3.35Å; F118-I120 PolarHBondContact O-N 3.32Å; I120-G123 PolarHBondContact O-N 3.02Å; I120-L124 HydrophobicContact CG2-CD1 3.81Å; I120-L124 WeakPolarHBondContact O-CB 3.48Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 3.3Å
121G95.7Very high94.5Very high39 Ų3938.1 Ų38.140%0.40221%0.209SC..Hα-helixtrans-62.3-46.9-17700000112.6A117 F118 L125A117-G121 PolarHBondContact O-N 3.04Å; F118-G121 PolarHBondContact O-N 3.27Å; G121-L125 VanDerWaalsContact O-CB 3.29Å; G121-L125 WeakPolarHBondContact O-CB 3.34Å; G121-L125 PolarHBondContact O-N 3.44Å
122N96.6Very high94.6Very high2 Ų240.2 Ų40.21%0.01122%0.215CC..Hα-helixtrans-65.6-46.4178.6-17148.9000111.5F118 L124 L125 Q126 F216F118-N122 HydrophobicContact CD1-CB 4.5Å; F118-N122 HydrophobicContact CE1-CB 4.14Å; F118-N122 HydrophobicContact CZ-CB 4.32Å; F118-N122 VanDerWaalsContact O-CB 3.24Å; F118-N122 WeakPolarHBondContact O-CB 3.44Å; F118-N122 PolarHBondContact O-N 2.97Å; N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.46Å; N122-L125 PolarHBondContact O-N 2.98Å; N122-Q126 WeakPolarHBondContact O-CB 3.28Å; N122-Q126 VanDerWaalsContact O-CG 3.24Å; N122-Q126 WeakPolarHBondContact O-CG 3.43Å; N122-Q126 PolarHBondContact O-N 2.9Å; N122-F216 WeakPolarHBondContact ND2-CE1 3.44Å; N122-F216 WeakPolarHBondContact ND2-CE2 3.49Å; N122-F216 VanDerWaalsContact ND2-CZ 3.31Å; N122-F216 WeakPolarHBondContact ND2-CZ 3.35Å
123G96.3Very high94.8Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-58.3-45.2177.700000112.3C119 I120 A127C119-G123 WeakPolarHBondContact O-CA 3.42Å; C119-G123 PolarHBondContact O-N 3.28Å; I120-G123 PolarHBondContact O-N 3.02Å; G123-A127 WeakPolarHBondContact O-CB 3.24Å; G123-A127 PolarHBondContact O-N 3.41Å
124L95.6Very high94.8Very high77 Ų7735.1 Ų35.140%0.40319%0.194SC..Hα-helixtrans-63.9-45.6175.4-74.3168.4000112V63 M67 I120 N122 Y128V63-L124 HydrophobicContact CG1-CD2 3.62Å; V63-L124 HydrophobicContact CG1-CG 4.02Å; V63-L124 HydrophobicContact CG2-CD2 4.11Å; V63-L124 HydrophobicContact CG2-CG 4.27Å; M67-L124 HydrophobicContact CE-CD2 4.17Å; I120-L124 HydrophobicContact CG2-CD1 3.81Å; I120-L124 WeakPolarHBondContact O-CB 3.48Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 3.3Å; N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.46Å; L124-Y128 WeakPolarHBondContact O-CB 3.42Å; L124-Y128 PolarHBondContact O-N 2.99Å
125L96.9Very high94.9Very high17 Ų1737 Ų379%0.08921%0.205CC..Hα-helixtrans-60.7-49.8-178.9178.664.3000111.8V10 L17 G121 N122 Y129 P212V10-L125 HydrophobicContact CB-CD1 4.44Å; V10-L125 HydrophobicContact CG1-CD1 4.36Å; L17-L125 HydrophobicContact CD1-CD2 3.61Å; L17-L125 HydrophobicContact CG-CD2 4.45Å; G121-L125 VanDerWaalsContact O-CB 3.29Å; G121-L125 WeakPolarHBondContact O-CB 3.34Å; G121-L125 PolarHBondContact O-N 3.44Å; N122-L125 PolarHBondContact O-N 2.98Å; L125-Y129 WeakPolarHBondContact O-CB 3.03Å; L125-Y129 PolarHBondContact O-N 3.26Å; L125-P212 HydrophobicContact CD1-CB 4.06Å; L125-P212 HydrophobicContact CD2-CB 3.72Å; L125-P212 HydrophobicContact CG-CB 3.65Å
126Q97.1Very high94.9Very high2 Ų238 Ų381%0.00920%0.204CC..Hα-helixtrans-65.5-47.3-178.3-63.5-63.393.100111.3F87 N122 L130 P212F87-Q126 HydrophobicContact CD2-CB 4.39Å; F87-Q126 HydrophobicContact CD2-CG 4.46Å; F87-Q126 HydrophobicContact CE2-CB 3.97Å; F87-Q126 HydrophobicContact CE2-CG 3.76Å; F87-Q126 HydrophobicContact CZ-CB 4.15Å; F87-Q126 HydrophobicContact CZ-CG 4.15Å; N122-Q126 WeakPolarHBondContact O-CB 3.28Å; N122-Q126 VanDerWaalsContact O-CG 3.24Å; N122-Q126 WeakPolarHBondContact O-CG 3.43Å; N122-Q126 PolarHBondContact O-N 2.9Å; Q126-L130 WeakPolarHBondContact O-CG 3.32Å; Q126-L130 PolarHBondContact O-N 3.42Å; Q126-L130 VanDerWaalsContact O-N 3.13Å; Q126-P212 VanDerWaalsContact OE1-CB 3.26Å; Q126-P212 PolarHBondContact OE1-O 3.18Å
127A95.7Very high94.9Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-68.6-43.8-178.700000112V63 M67 L84 G123 Y129 L130 V131V63-A127 HydrophobicContact CG1-CB 4.12Å; M67-A127 HydrophobicContact CB-CB 4.34Å; M67-A127 HydrophobicContact CE-CB 4.27Å; M67-A127 HydrophobicContact CG-CB 4.17Å; M67-A127 HydrophobicContact SD-CB 3.32Å; M67-A127 WeakPolarHBondContact SD-CB 3.41Å; L84-A127 HydrophobicContact CD1-CB 3.82Å; L84-A127 HydrophobicContact CD2-CB 4.16Å; G123-A127 WeakPolarHBondContact O-CB 3.24Å; G123-A127 PolarHBondContact O-N 3.41Å; A127-Y129 PolarHBondContact O-N 3.18Å; A127-L130 PolarHBondContact O-N 2.96Å; A127-V131 WeakPolarHBondContact O-CB 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 3.37Å; A127-V131 VanDerWaalsContact O-N 3.1Å
128Y94.9Very high94.6Very high49 Ų4945.4 Ų45.419%0.19223%0.232CC..Hα-helixtrans-60-46.5177.1178.3-95.8000111.3H6 V10 L124 V131 Y132H6-Y128 PolarHBondContact N-OH 3.36Å; V10-Y128 HydrophobicContact CG2-CD1 3.85Å; V10-Y128 HydrophobicContact CG2-CE1 3.86Å; L124-Y128 WeakPolarHBondContact O-CB 3.42Å; L124-Y128 PolarHBondContact O-N 2.99Å; Y128-V131 PolarHBondContact O-N 2.99Å; Y128-Y132 AromaticContact CD2-CD2 3.44Å; Y128-Y132 HydrophobicContact CD2-CD2 3.44Å; Y128-Y132 VanDerWaalsContact CD2-CD2 3.44Å; Y128-Y132 HydrophobicContact CD2-CE2 4.01Å; Y128-Y132 HydrophobicContact CD2-CG 4.36Å; Y128-Y132 AromaticContact CE2-CD2 3.66Å; Y128-Y132 HydrophobicContact CE2-CD2 3.66Å; Y128-Y132 HydrophobicContact CE2-CE2 4.33Å; Y128-Y132 HydrophobicContact CE2-CG 4.19Å; Y128-Y132 HydrophobicContact CG-CD2 4.14Å; Y128-Y132 WeakPolarHBondContact O-CB 3.47Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.45Å; Y128-Y132 PolarHBondContact O-N 3.23Å
129Y95.9Very high94.5Very high35 Ų3549.7 Ų49.714%0.13725%0.252CS..Iπ-helixtrans-61.9-49.2-179.9-174.7-91.7000111.7V10 L125 A127 V131 C133 A134 P212V10-Y129 HydrophobicContact CB-CD2 4.44Å; V10-Y129 HydrophobicContact CG1-CD2 3.45Å; V10-Y129 VanDerWaalsContact CG1-CD2 3.45Å; V10-Y129 HydrophobicContact CG1-CE2 3.9Å; V10-Y129 HydrophobicContact CG1-CG 4.48Å; V10-Y129 HydrophobicContact CG2-CD2 4.15Å; L125-Y129 WeakPolarHBondContact O-CB 3.03Å; L125-Y129 PolarHBondContact O-N 3.26Å; A127-Y129 PolarHBondContact O-N 3.18Å; Y129-V131 VanDerWaalsContact C-N 3.3Å; Y129-V131 PolarHBondContact O-N 3.42Å; Y129-C133 HydrophobicContact CD2-CB 3.62Å; Y129-C133 HydrophobicContact CE2-CB 3.9Å; Y129-C133 HydrophobicContact CG-CB 4.14Å; Y129-C133 CarbonylContact O-C 3.58Å; Y129-C133 WeakPolarHBondContact O-CA 3.43Å; Y129-C133 WeakPolarHBondContact O-CB 3.3Å; Y129-C133 PolarHBondContact O-N 3.45Å; Y129-A134 HydrophobicContact CD1-CB 4.04Å; Y129-A134 HydrophobicContact CE1-CB 3.82Å; Y129-A134 PolarHBondContact O-N 2.85Å; Y129-P212 HydrophobicContact CD1-CG 3.94Å; Y129-P212 HydrophobicContact CD2-CG 3.84Å; Y129-P212 HydrophobicContact CE1-CG 4.5Å; Y129-P212 HydrophobicContact CE2-CG 4.37Å; Y129-P212 HydrophobicContact CG-CG 3.56Å
130L94.5Very high94.5Very high7 Ų749.8 Ų49.84%0.03725%0.252CS..Iπ-helixtrans-66.9-30-176.4-72.6177.7000113.9L83 L84 Q126 A127 A134 Y136 Y204 T208L83-L130 HydrophobicContact CB-CD1 4.22Å; L84-L130 HydrophobicContact CB-CD1 3.99Å; L84-L130 HydrophobicContact CD1-CD1 4.36Å; Q126-L130 WeakPolarHBondContact O-CG 3.32Å; Q126-L130 PolarHBondContact O-N 3.42Å; Q126-L130 VanDerWaalsContact O-N 3.13Å; A127-L130 PolarHBondContact O-N 2.96Å; L130-A134 HydrophobicContact CD2-CB 4.18Å; L130-Y136 WeakPolarHBondContact CD2-OH 3.43Å; L130-Y204 WeakPolarHBondContact CD1-OH 3.2Å; L130-T208 HydrophobicContact CD1-CG2 4.34Å; L130-T208 HydrophobicContact CD2-CG2 3.96Å
131V92.2Very high94.5Very high27 Ų2750.2 Ų50.216%0.16425%0.249CC..Iπ-helixtrans-85.8-42.4-179.4169.50000112.4M67 L84 A127 Y128 Y129M67-V131 HydrophobicContact CB-CG2 4.27Å; L84-V131 HydrophobicContact CD2-CG2 3.77Å; A127-V131 WeakPolarHBondContact O-CB 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 3.37Å; A127-V131 VanDerWaalsContact O-N 3.1Å; Y128-V131 PolarHBondContact O-N 2.99Å; Y129-V131 VanDerWaalsContact C-N 3.3Å; Y129-V131 PolarHBondContact O-N 3.42Å
132Y91.2Very high94.4Very high77 Ų7753.9 Ų53.930%0.30226%0.264SS..Iπ-helixtrans-108.5-21.9-169-62-68.2000114.7I3 C5 Y128I3-Y132 HydrophobicContact CB-CD1 3.79Å; I3-Y132 HydrophobicContact CB-CE1 3.82Å; I3-Y132 HydrophobicContact CD1-CD1 4.38Å; I3-Y132 HydrophobicContact CD1-CE1 3.51Å; I3-Y132 HydrophobicContact CG1-CE1 4.25Å; I3-Y132 HydrophobicContact CG2-CD1 3.53Å; I3-Y132 HydrophobicContact CG2-CE1 3.71Å; I3-Y132 HydrophobicContact CG2-CG 4.18Å; C5-Y132 WeakPolarHBondContact CB-O 3.39Å; Y128-Y132 AromaticContact CD2-CD2 3.44Å; Y128-Y132 HydrophobicContact CD2-CD2 3.44Å; Y128-Y132 VanDerWaalsContact CD2-CD2 3.44Å; Y128-Y132 HydrophobicContact CD2-CE2 4.01Å; Y128-Y132 HydrophobicContact CD2-CG 4.36Å; Y128-Y132 AromaticContact CE2-CD2 3.66Å; Y128-Y132 HydrophobicContact CE2-CD2 3.66Å; Y128-Y132 HydrophobicContact CE2-CE2 4.33Å; Y128-Y132 HydrophobicContact CE2-CG 4.19Å; Y128-Y132 HydrophobicContact CG-CD2 4.14Å; Y128-Y132 WeakPolarHBondContact O-CB 3.47Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.45Å; Y128-Y132 PolarHBondContact O-N 3.23Å
133C93.9Very high94.4Very high12 Ų1255.9 Ų55.98%0.08128%0.275CS..Iπ-helixtrans-119-27.4-169.4-58.70000114.4C5 Y129 E135C5-C133 HydrophobicContact CB-CB 3.83Å; C5-C133 WeakPolarHBondContact CB-SG 3.48Å; C5-C133 WeakPolarHBondContact SG-CB 3.28Å; C5-C133 CovalentContact SG-SG 2.02Å; C5-C133 PolarHBondContact SG-SG 3.43Å; Y129-C133 HydrophobicContact CD2-CB 3.62Å; Y129-C133 HydrophobicContact CE2-CB 3.9Å; Y129-C133 HydrophobicContact CG-CB 4.14Å; Y129-C133 CarbonylContact O-C 3.58Å; Y129-C133 WeakPolarHBondContact O-CA 3.43Å; Y129-C133 WeakPolarHBondContact O-CB 3.3Å; Y129-C133 PolarHBondContact O-N 3.45Å; C133-E135 PolarHBondContact O-N 3.47Å
134A94.1Very high94.5Very high22 Ų2263.1 Ų63.118%0.18231%0.31CS..  trans-78.8120.7-174.800000110.8Y129 L130 Y136Y129-A134 HydrophobicContact CD1-CB 4.04Å; Y129-A134 HydrophobicContact CE1-CB 3.82Å; Y129-A134 PolarHBondContact O-N 2.85Å; L130-A134 HydrophobicContact CD2-CB 4.18Å; A134-Y136 HydrophobicContact CB-CD2 4.34Å; A134-Y136 HydrophobicContact CB-CE2 3.54Å
135E92.8Very high94.6Very high188 Ų18863.2 Ų63.288%0.87931%0.305SS*.  trans-112.7124.1174-66.1178.4-17600108.3C133C133-E135 PolarHBondContact O-N 3.47Å
136Y94.5Very high94.6Very high44 Ų4463.5 Ų63.517%0.17331%0.306CS..  trans-117.9141.2-179-62.9-80.6000109.6P79 L83 L130 A134 W140 T208P79-Y136 HydrophobicContact CB-CD1 4.46Å; P79-Y136 HydrophobicContact CB-CD2 3.96Å; P79-Y136 HydrophobicContact CB-CE2 4.42Å; P79-Y136 HydrophobicContact CB-CG 3.97Å; P79-Y136 HydrophobicContact CG-CD2 4.38Å; P79-Y136 HydrophobicContact CG-CG 4.19Å; L83-Y136 HydrophobicContact CD1-CE1 4.13Å; L83-Y136 HydrophobicContact CD1-CE2 4.38Å; L83-Y136 WeakPolarHBondContact CD1-OH 3.34Å; L130-Y136 WeakPolarHBondContact CD2-OH 3.43Å; A134-Y136 HydrophobicContact CB-CD2 4.34Å; A134-Y136 HydrophobicContact CB-CE2 3.54Å; Y136-W140 AromaticContact CD1-CD1 3.55Å; Y136-W140 AromaticContact CD1-CD2 3.66Å; Y136-W140 HydrophobicContact CD1-CD2 3.66Å; Y136-W140 AromaticContact CD1-CE2 3.53Å; Y136-W140 HydrophobicContact CD1-CE3 4.37Å; Y136-W140 AromaticContact CD1-CG 3.68Å; Y136-W140 HydrophobicContact CD1-CG 3.68Å; Y136-W140 HydrophobicContact CD1-CZ2 4.16Å; Y136-W140 AromaticContact CD1-NE1 3.43Å; Y136-W140 HydrophobicContact CE1-CD2 4.38Å; Y136-W140 AromaticContact CE1-CE2 3.77Å; Y136-W140 HydrophobicContact CE1-CZ2 4.15Å; Y136-W140 AromaticContact CE1-NE1 3.52Å; Y136-W140 HydrophobicContact CG-CG 4.21Å; Y136-T208 WeakPolarHBondContact CE1-O 3.37Å; Y136-T208 PolarHBondContact OH-O 3.05Å; Y136-T208 VanDerWaalsContact OH-O 3.12Å
137P93.7Very high94.6Very high61 Ų6166.4 Ų66.440%0.39633%0.327SS..  trans-64.8159.1170.629.9-35.1000110.9E139 W140P137-E139 PolarHBondContact O-N 3.37Å; P137-W140 HydrophobicContact CG-CB 4.3Å; P137-W140 HydrophobicContact CG-CE3 3.68Å; P137-W140 HydrophobicContact CG-CZ3 4.4Å; P137-W140 WeakPolarHBondContact O-CB 3.4Å; P137-W140 PolarHBondContact O-N 2.86Å; P137-W140 VanDerWaalsContact O-N 3.09Å
138E88.9Confident94.7Very high183 Ų18369.1 Ų69.186%0.85534%0.343SS*.G310 helixtrans-61.1-31.5-178.6-64.4-169.7169.700111.9W140E138-W140 VanDerWaalsContact C-N 3.27Å; E138-W140 PolarHBondContact O-N 3.35Å
139E93.5Very high94.9Very high124 Ų12466.8 Ų66.858%0.57933%0.334SS*.G310 helixtrans-84.59.9-180-52.280.6-176.300113.3P137 Y141 T142 D143P137-E139 PolarHBondContact O-N 3.37Å; E139-Y141 PolarHBondContact O-N 3.12Å; E139-Y141 VanDerWaalsContact O-N 3.14Å; E139-T142 PolarHBondContact O-N 3.32Å; E139-T142 PolarHBondContact O-OG1 3.4Å; E139-D143 PolarHBondContact O-N 2.94Å; E139-D143 VanDerWaalsContact O-N 3.15Å
140W96Very high95Very high7 Ų766.4 Ų66.43%0.02734%0.335CS..G310 helixtrans-58.2-34-174.9-166.5-110.3000113.5P79 Y136 P137 E138 T142 D143 R145 F146 A207 W209P79-W140 HydrophobicContact CB-CG 4.42Å; P79-W140 HydrophobicContact CG-CB 4.02Å; P79-W140 HydrophobicContact CG-CG 4.43Å; Y136-W140 AromaticContact CD1-CD1 3.55Å; Y136-W140 AromaticContact CD1-CD2 3.66Å; Y136-W140 HydrophobicContact CD1-CD2 3.66Å; Y136-W140 AromaticContact CD1-CE2 3.53Å; Y136-W140 HydrophobicContact CD1-CE3 4.37Å; Y136-W140 AromaticContact CD1-CG 3.68Å; Y136-W140 HydrophobicContact CD1-CG 3.68Å; Y136-W140 HydrophobicContact CD1-CZ2 4.16Å; Y136-W140 AromaticContact CD1-NE1 3.43Å; Y136-W140 HydrophobicContact CE1-CD2 4.38Å; Y136-W140 AromaticContact CE1-CE2 3.77Å; Y136-W140 HydrophobicContact CE1-CZ2 4.15Å; Y136-W140 AromaticContact CE1-NE1 3.52Å; Y136-W140 HydrophobicContact CG-CG 4.21Å; P137-W140 HydrophobicContact CG-CB 4.3Å; P137-W140 HydrophobicContact CG-CE3 3.68Å; P137-W140 HydrophobicContact CG-CZ3 4.4Å; P137-W140 WeakPolarHBondContact O-CB 3.4Å; P137-W140 PolarHBondContact O-N 2.86Å; P137-W140 VanDerWaalsContact O-N 3.09Å; E138-W140 VanDerWaalsContact C-N 3.27Å; E138-W140 PolarHBondContact O-N 3.35Å; W140-T142 PolarHBondContact O-N 3.18Å; W140-D143 HydrophobicContact CD2-CB 4.49Å; W140-D143 HydrophobicContact CE3-CB 4.16Å; W140-D143 WeakPolarHBondContact O-CB 3.26Å; W140-D143 PolarHBondContact O-N 3.47Å; W140-R145 HydrophobicContact CH2-CB 4.24Å; W140-R145 VanDerWaalsContact CH2-CZ 3.43Å; W140-R145 HydrophobicContact CZ2-CB 4.3Å; W140-F146 AromaticContact CD1-CD2 3.57Å; W140-F146 AromaticContact NE1-CD2 3.65Å; W140-F146 WeakPolarHBondContact O-CB 3.47Å; W140-A207 PolarHBondContact NE1-O 2.9Å; W140-W209 HydrophobicContact CH2-CB 3.61Å; W140-W209 AromaticContact CH2-CG 3.99Å; W140-W209 HydrophobicContact CH2-CG 3.99Å; W140-W209 HydrophobicContact CZ2-CB 3.66Å; W140-W209 HydrophobicContact CZ2-CG 4.5Å
141Y94.3Very high95.2Very high82 Ų8272 Ų7232%0.32236%0.359SS..G310 helixtrans-65-26.5177.8-70.5-71.7000113.5G77 P79 V82 E139 F146G77-Y141 PolarHBondContact O-OH 3.5Å; P79-Y141 WeakPolarHBondContact CA-OH 3.39Å; P79-Y141 HydrophobicContact CG-CD2 4.32Å; P79-Y141 HydrophobicContact CG-CE2 3.8Å; V82-Y141 HydrophobicContact CG2-CE1 4.24Å; V82-Y141 VanDerWaalsContact CG2-OH 3.3Å; V82-Y141 WeakPolarHBondContact CG2-OH 3.43Å; E139-Y141 PolarHBondContact O-N 3.12Å; E139-Y141 VanDerWaalsContact O-N 3.14Å; Y141-F146 HydrophobicContact CD1-CD1 4.3Å; Y141-F146 AromaticContact CD1-CE1 3.64Å; Y141-F146 HydrophobicContact CD1-CE1 3.64Å; Y141-F146 HydrophobicContact CD1-CE2 4.2Å; Y141-F146 AromaticContact CD1-CZ 3.58Å; Y141-F146 HydrophobicContact CD1-CZ 3.58Å; Y141-F146 HydrophobicContact CE1-CE1 4.32Å; Y141-F146 HydrophobicContact CE1-CE2 4.29Å; Y141-F146 AromaticContact CE1-CZ 3.8Å; Y141-F146 HydrophobicContact CE1-CZ 3.8Å
142T94.7Very high95.5Very high116 Ų11674.8 Ų74.871%0.71237%0.369SS*.G310 helixtrans-96-7.2176.456.90000112.8E139 W140E139-T142 PolarHBondContact O-N 3.32Å; E139-T142 PolarHBondContact O-OG1 3.4Å; W140-T142 PolarHBondContact O-N 3.18Å
143D96.8Very high95.9Very high43 Ų4371.2 Ų71.223%0.2336%0.356CS..SBendtrans-64.5139.3175.9-165.8-72.7000111E139 W140 R145 F146 S147E139-D143 PolarHBondContact O-N 2.94Å; E139-D143 VanDerWaalsContact O-N 3.15Å; W140-D143 HydrophobicContact CD2-CB 4.49Å; W140-D143 HydrophobicContact CE3-CB 4.16Å; W140-D143 WeakPolarHBondContact O-CB 3.26Å; W140-D143 PolarHBondContact O-N 3.47Å; D143-R145 PolarHBondContact O-N 3.37Å; D143-R145 WeakPolarHBondContact OD1-CB 3.34Å; D143-R145 VanDerWaalsContact OD1-CG 3.27Å; D143-R145 WeakPolarHBondContact OD1-CG 3.43Å; D143-R145 IonicContact OD1-CZ 3.73Å; D143-R145 PolarHBondContact OD1-N 3Å; D143-R145 IonicContact OD1-NE 2.85Å; D143-R145 PolarHBondContact OD1-NE 3.41Å; D143-R145 IonicContact OD1-NH2 3.75Å; D143-R145 IonicContact OD2-CZ 3.44Å; D143-R145 IonicContact OD2-NE 3.34Å; D143-R145 PolarHBondContact OD2-NE 3.45Å; D143-R145 IonicContact OD2-NH2 2.71Å; D143-R145 PolarHBondContact OD2-NH2 3.35Å; D143-F146 PolarHBondContact O-N 2.91Å; D143-S147 PolarHBondContact O-N 3.4Å; D143-S147 VanDerWaalsContact O-N 3.1Å
144M97.1Very high96.1Very high152 Ų15275.6 Ų75.675%0.74938%0.377SS*.Hα-helixtrans-58.5-34.9178.4-67.6-178.971.400111.8F146 S147 V148M144-F146 PolarHBondContact O-N 3.37Å; M144-S147 PolarHBondContact O-N 2.86Å; M144-V148 WeakPolarHBondContact O-CB 3.22Å; M144-V148 WeakPolarHBondContact O-CG2 3.49Å; M144-V148 PolarHBondContact O-N 2.84Å
145R97.8Very high96.3Very high80 Ų8077.9 Ų77.930%0.30239%0.386SS..Hα-helixtrans-61.5-44.3178.4-65.2170.4-77-175.1-8111.3W140 D143 G149 L206 W209W140-R145 HydrophobicContact CH2-CB 4.24Å; W140-R145 VanDerWaalsContact CH2-CZ 3.43Å; W140-R145 HydrophobicContact CZ2-CB 4.3Å; D143-R145 PolarHBondContact O-N 3.37Å; D143-R145 WeakPolarHBondContact OD1-CB 3.34Å; D143-R145 VanDerWaalsContact OD1-CG 3.27Å; D143-R145 WeakPolarHBondContact OD1-CG 3.43Å; D143-R145 IonicContact OD1-CZ 3.73Å; D143-R145 PolarHBondContact OD1-N 3Å; D143-R145 IonicContact OD1-NE 2.85Å; D143-R145 PolarHBondContact OD1-NE 3.41Å; D143-R145 IonicContact OD1-NH2 3.75Å; D143-R145 IonicContact OD2-CZ 3.44Å; D143-R145 IonicContact OD2-NE 3.34Å; D143-R145 PolarHBondContact OD2-NE 3.45Å; D143-R145 IonicContact OD2-NH2 2.71Å; D143-R145 PolarHBondContact OD2-NH2 3.35Å; R145-G149 WeakPolarHBondContact O-CA 3.32Å; R145-G149 PolarHBondContact O-N 3.26Å; R145-L206 HydrophobicContact CB-CD1 4.29Å; R145-L206 HydrophobicContact CB-CG 4.43Å; R145-L206 HydrophobicContact CG-CD1 4.23Å; R145-W209 HydrophobicContact CG-CE3 4.34Å; R145-W209 HydrophobicContact CG-CZ3 4.47Å
146F97.4Very high96.6Very high22 Ų2269 Ų6910%0.09634%0.344CS..Hα-helixtrans-66.4-52.3177.1-177.4-93.8000111L83 W140 Y141 D143 M144 V148 G149 V150L83-F146 HydrophobicContact CD2-CD2 4.37Å; L83-F146 HydrophobicContact CD2-CE2 3.99Å; L83-F146 HydrophobicContact CG-CE2 4.23Å; W140-F146 AromaticContact CD1-CD2 3.57Å; W140-F146 AromaticContact NE1-CD2 3.65Å; W140-F146 WeakPolarHBondContact O-CB 3.47Å; Y141-F146 HydrophobicContact CD1-CD1 4.3Å; Y141-F146 AromaticContact CD1-CE1 3.64Å; Y141-F146 HydrophobicContact CD1-CE1 3.64Å; Y141-F146 HydrophobicContact CD1-CE2 4.2Å; Y141-F146 AromaticContact CD1-CZ 3.58Å; Y141-F146 HydrophobicContact CD1-CZ 3.58Å; Y141-F146 HydrophobicContact CE1-CE1 4.32Å; Y141-F146 HydrophobicContact CE1-CE2 4.29Å; Y141-F146 AromaticContact CE1-CZ 3.8Å; Y141-F146 HydrophobicContact CE1-CZ 3.8Å; D143-F146 PolarHBondContact O-N 2.91Å; M144-F146 PolarHBondContact O-N 3.37Å; F146-V148 PolarHBondContact O-N 3Å; F146-G149 PolarHBondContact O-N 3.44Å; F146-V150 HydrophobicContact CD1-CG2 4.25Å; F146-V150 HydrophobicContact CD2-CG2 4.27Å; F146-V150 HydrophobicContact CE1-CG2 3.93Å; F146-V150 HydrophobicContact CE2-CG2 3.97Å; F146-V150 HydrophobicContact CG-CG2 4.41Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 VanDerWaalsContact O-CG2 3.3Å; F146-V150 WeakPolarHBondContact O-CG2 3.4Å; F146-V150 PolarHBondContact O-N 3.48Å
147S97.2Very high96.7Very high64 Ų6468.4 Ų68.445%0.44834%0.344SS..Hα-helixtrans-63.7-46.5-175.6-68.90000112.5D143 M144 F151D143-S147 PolarHBondContact O-N 3.4Å; D143-S147 VanDerWaalsContact O-N 3.1Å; M144-S147 PolarHBondContact O-N 2.86Å; S147-F151 WeakPolarHBondContact O-CB 3.43Å; S147-F151 PolarHBondContact O-N 3.27Å
148V98.2Very high97Very high57 Ų5767.5 Ų67.535%0.34535%0.345SS..Hα-helixtrans-68-41176.9175.90000110.8M144 F146 F151 F152 L206M144-V148 WeakPolarHBondContact O-CB 3.22Å; M144-V148 WeakPolarHBondContact O-CG2 3.49Å; M144-V148 PolarHBondContact O-N 2.84Å; F146-V148 PolarHBondContact O-N 3Å; V148-F151 PolarHBondContact O-N 3.1Å; V148-F152 HydrophobicContact CG1-CD2 3.62Å; V148-F152 HydrophobicContact CG1-CE2 3.54Å; V148-F152 VanDerWaalsContact O-CD2 3.25Å; V148-F152 WeakPolarHBondContact O-CD2 3.44Å; V148-F152 PolarHBondContact O-N 3.29Å; V148-L206 HydrophobicContact CB-CD2 4.14Å; V148-L206 HydrophobicContact CG1-CD2 3.78Å
149G98.4Very high97.4Very high0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-63.7-46.7178.900000112.9R145 F146 F152 F153 G203R145-G149 WeakPolarHBondContact O-CA 3.32Å; R145-G149 PolarHBondContact O-N 3.26Å; F146-G149 PolarHBondContact O-N 3.44Å; G149-F152 PolarHBondContact O-N 3.36Å; G149-F153 WeakPolarHBondContact O-CB 3.42Å; G149-F153 PolarHBondContact O-N 3.5Å; G149-G203 CarbonylContact C-O 3.5Å; G149-G203 WeakPolarHBondContact CA-O 3.47Å; G149-G203 CarbonylContact O-C 3.41Å; G149-G203 VanDerWaalsContact O-C 3.28Å; G149-G203 VanDerWaalsContact O-CA 3.25Å; G149-G203 WeakPolarHBondContact O-CA 3.4Å
150V98Very high97.6Very high27 Ų2754.1 Ų54.116%0.16428%0.283CS..Hα-helixtrans-64.8-39.6175.9172.90000111.2L86 F146 F152 F153 I154 A207L86-V150 HydrophobicContact CD1-CG2 4.13Å; F146-V150 HydrophobicContact CD1-CG2 4.25Å; F146-V150 HydrophobicContact CD2-CG2 4.27Å; F146-V150 HydrophobicContact CE1-CG2 3.93Å; F146-V150 HydrophobicContact CE2-CG2 3.97Å; F146-V150 HydrophobicContact CG-CG2 4.41Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 VanDerWaalsContact O-CG2 3.3Å; F146-V150 WeakPolarHBondContact O-CG2 3.4Å; F146-V150 PolarHBondContact O-N 3.48Å; V150-F152 PolarHBondContact O-N 3.07Å; V150-F153 WeakPolarHBondContact O-CB 3.3Å; V150-F153 PolarHBondContact O-N 3.05Å; V150-I154 HydrophobicContact CG1-CD1 3.86Å; V150-I154 HydrophobicContact CG1-CG1 4.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.46Å; V150-I154 PolarHBondContact O-N 2.69Å; V150-A207 HydrophobicContact CG2-CB 4.12Å
151F98.5Very high97.7Very high124 Ų12455.8 Ų55.854%0.54429%0.292SS..Hα-helixtrans-57-50.5173.5169-98.4000111.7S147 V148 F153 I154 L155S147-F151 WeakPolarHBondContact O-CB 3.43Å; S147-F151 PolarHBondContact O-N 3.27Å; V148-F151 PolarHBondContact O-N 3.1Å; F151-F153 VanDerWaalsContact C-N 3.33Å; F151-F153 PolarHBondContact O-N 3.26Å; F151-I154 PolarHBondContact O-N 3.08Å; F151-L155 HydrophobicContact CE1-CD2 4.01Å; F151-L155 HydrophobicContact CZ-CD2 4.12Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.39Å; F151-L155 PolarHBondContact O-N 3.48Å
152F98.6Very high97.9Very high85 Ų8556.4 Ų56.437%0.37330%0.298SS..Hα-helixtrans-67.1-33.5177.9-80.8-63.5000112.8V148 G149 V150 L155 G156 I199V148-F152 HydrophobicContact CG1-CD2 3.62Å; V148-F152 HydrophobicContact CG1-CE2 3.54Å; V148-F152 VanDerWaalsContact O-CD2 3.25Å; V148-F152 WeakPolarHBondContact O-CD2 3.44Å; V148-F152 PolarHBondContact O-N 3.29Å; G149-F152 PolarHBondContact O-N 3.36Å; V150-F152 PolarHBondContact O-N 3.07Å; F152-L155 HydrophobicContact CD1-CD2 4.16Å; F152-L155 HydrophobicContact CE1-CD2 4.35Å; F152-G156 PolarHBondContact O-N 2.8Å; F152-I199 HydrophobicContact CB-CG2 4.21Å; F152-I199 HydrophobicContact CD1-CG2 3.74Å; F152-I199 HydrophobicContact CG-CG2 4.42Å
153F98.7Very high98Very high3 Ų350.9 Ų50.91%0.01326%0.264CS..Hα-helixtrans-57.4-55172.8-176.7-92.3000111.2L86 H90 G149 V150 F151 L155 G156 M157 E200 W201 Y204L86-F153 HydrophobicContact CB-CD1 4.27Å; L86-F153 HydrophobicContact CB-CE1 3.76Å; L86-F153 HydrophobicContact CB-CZ 3.88Å; L86-F153 HydrophobicContact CD1-CD1 4.18Å; L86-F153 HydrophobicContact CD1-CE1 4.48Å; L86-F153 HydrophobicContact CD2-CD1 4.28Å; L86-F153 HydrophobicContact CD2-CE1 4.11Å; L86-F153 HydrophobicContact CG-CD1 4.49Å; L86-F153 HydrophobicContact CG-CE1 4.34Å; L86-F153 WeakPolarHBondContact O-CZ 3.26Å; H90-F153 HydrophobicContact CB-CZ 4.24Å; G149-F153 WeakPolarHBondContact O-CB 3.42Å; G149-F153 PolarHBondContact O-N 3.5Å; V150-F153 WeakPolarHBondContact O-CB 3.3Å; V150-F153 PolarHBondContact O-N 3.05Å; F151-F153 VanDerWaalsContact C-N 3.33Å; F151-F153 PolarHBondContact O-N 3.26Å; F153-L155 PolarHBondContact O-N 2.97Å; F153-G156 PolarHBondContact O-N 3.43Å; F153-M157 HydrophobicContact CE1-SD 4.19Å; F153-M157 WeakPolarHBondContact O-CB 3.44Å; F153-M157 PolarHBondContact O-N 3.16Å; F153-E200 HydrophobicContact CD2-CG 3.55Å; F153-E200 WeakPolarHBondContact CD2-O 3.47Å; F153-E200 HydrophobicContact CE2-CG 3.55Å; F153-E200 HydrophobicContact CG-CG 4.2Å; F153-E200 HydrophobicContact CZ-CG 4.17Å; F153-E200 WeakPolarHBondContact CZ-OE1 3.47Å; F153-W201 HydrophobicContact CE2-CZ3 4.37Å; F153-Y204 AromaticContact CD2-CD2 3.78Å; F153-Y204 HydrophobicContact CD2-CD2 3.78Å; F153-Y204 HydrophobicContact CD2-CG 4.26Å; F153-Y204 AromaticContact CE2-CD2 3.74Å; F153-Y204 HydrophobicContact CE2-CD2 3.74Å; F153-Y204 HydrophobicContact CE2-CG 4.32Å
154I98.5Very high98Very high103 Ų10349.2 Ų49.253%0.52826%0.255SS..Hα-helixtrans-65-42.5-178.6-63.4170.1000111V150 F151 G158V150-I154 HydrophobicContact CG1-CD1 3.86Å; V150-I154 HydrophobicContact CG1-CG1 4.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.46Å; V150-I154 PolarHBondContact O-N 2.69Å; F151-I154 PolarHBondContact O-N 3.08Å; I154-G158 PolarHBondContact O-N 3.35Å
155L98.6Very high97.9Very high71 Ų7144 Ų4437%0.37223%0.233SC..Hα-helixtrans-60.4-48.7177176.762000111.5F151 F152 F153 G158 I159F151-L155 HydrophobicContact CE1-CD2 4.01Å; F151-L155 HydrophobicContact CZ-CD2 4.12Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.39Å; F151-L155 PolarHBondContact O-N 3.48Å; F152-L155 HydrophobicContact CD1-CD2 4.16Å; F152-L155 HydrophobicContact CE1-CD2 4.35Å; F153-L155 PolarHBondContact O-N 2.97Å; L155-G158 PolarHBondContact O-N 3.02Å; L155-I159 HydrophobicContact CD1-CD1 4.08Å; L155-I159 HydrophobicContact CG-CD1 4.1Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 2.68Å
156G98.6Very high97.8Very high0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-62-47.2178.800000112.3F152 F153 G158 I159 N160 G196F152-G156 PolarHBondContact O-N 2.8Å; F153-G156 PolarHBondContact O-N 3.43Å; G156-G158 VanDerWaalsContact C-N 3.33Å; G156-G158 PolarHBondContact O-N 3.44Å; G156-I159 PolarHBondContact O-N 2.8Å; G156-N160 WeakPolarHBondContact O-CB 3.25Å; G156-N160 PolarHBondContact O-N 3.42Å; G156-G196 CarbonylContact C-O 3.57Å; G156-G196 VanDerWaalsContact C-O 3.22Å; G156-G196 WeakPolarHBondContact CA-O 3.13Å; G156-G196 CarbonylContact O-C 3.58Å; G156-G196 VanDerWaalsContact O-C 3.26Å; G156-G196 VanDerWaalsContact O-CA 3.25Å; G156-G196 WeakPolarHBondContact O-CA 3.43Å
157M98.3Very high97.7Very high33 Ų3343 Ų4316%0.16323%0.234CC..Hα-helixtrans-59.4-44.3176.1-168.5-179.1-179.700111H93 F153 I159 N160 I161 E200H93-M157 HydrophobicContact CB-CE 4.06Å; F153-M157 HydrophobicContact CE1-SD 4.19Å; F153-M157 WeakPolarHBondContact O-CB 3.44Å; F153-M157 PolarHBondContact O-N 3.16Å; M157-I159 PolarHBondContact O-N 2.85Å; M157-N160 PolarHBondContact O-N 3.24Å; M157-I161 HydrophobicContact CE-CD1 3.78Å; M157-I161 HydrophobicContact CG-CD1 3.82Å; M157-I161 HydrophobicContact CG-CG1 4.36Å; M157-I161 WeakPolarHBondContact O-CB 3.42Å; M157-I161 VanDerWaalsContact O-CG1 3.25Å; M157-I161 WeakPolarHBondContact O-CG1 3.27Å; M157-I161 PolarHBondContact O-N 3.08Å; M157-E200 HydrophobicContact CB-CG 4.25Å; M157-E200 WeakPolarHBondContact CB-OE1 3.37Å; M157-E200 WeakPolarHBondContact CG-OE1 3.19Å
158G98.4Very high97.4Very high41 Ų4142 Ų4242%0.42322%0.22SC..Hα-helixtrans-58.8-46.1175.700000112.7I154 L155 G156 H162I154-G158 PolarHBondContact O-N 3.35Å; L155-G158 PolarHBondContact O-N 3.02Å; G156-G158 VanDerWaalsContact C-N 3.33Å; G156-G158 PolarHBondContact O-N 3.44Å; G158-H162 WeakPolarHBondContact O-CB 3.4Å; G158-H162 PolarHBondContact O-N 3.17Å
159I98.3Very high97.2Very high25 Ų2546.6 Ų46.613%0.12824%0.238CC..Hα-helixtrans-63.2-43.8176-68.8165.4000111.1L155 G156 M157 S163 L185 A192 I199L155-I159 HydrophobicContact CD1-CD1 4.08Å; L155-I159 HydrophobicContact CG-CD1 4.1Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 2.68Å; G156-I159 PolarHBondContact O-N 2.8Å; M157-I159 PolarHBondContact O-N 2.85Å; I159-S163 WeakPolarHBondContact O-CB 3.3Å; I159-S163 PolarHBondContact O-N 3.42Å; I159-S163 PolarHBondContact O-OG 3.48Å; I159-L185 HydrophobicContact CD1-CD2 3.95Å; I159-L185 HydrophobicContact CG1-CD2 4.18Å; I159-L185 HydrophobicContact CG2-CD2 3.79Å; I159-A192 WeakPolarHBondContact CG2-O 3.48Å; I159-I199 HydrophobicContact CD1-CD1 4.36Å
160N98.3Very high96.9Very high1 Ų148.3 Ų48.31%0.00525%0.247CC..Hα-helixtrans-60.1-54.5179.7-179.7-95.6000111R94 G156 M157 H162 S163 D164 N193 E197R94-N160 PolarHBondContact NH2-ND2 2.79Å; R94-N160 PolarHBondContact NH2-OD1 3.32Å; G156-N160 WeakPolarHBondContact O-CB 3.25Å; G156-N160 PolarHBondContact O-N 3.42Å; M157-N160 PolarHBondContact O-N 3.24Å; N160-H162 PolarHBondContact O-N 3.36Å; N160-S163 PolarHBondContact O-N 3.18Å; N160-D164 WeakPolarHBondContact O-CB 3.42Å; N160-D164 PolarHBondContact O-N 3.21Å; N160-N193 PolarHBondContact ND2-O 3.36Å; N160-E197 PolarHBondContact ND2-OE2 3.48Å
161I97.8Very high96.6Very high42 Ų4248.8 Ų48.822%0.21525%0.246CC..Hα-helixtrans-62.8-46.4-178.4-64.2178.5000110.9H93 M157 S163 D164 C165H93-I161 VanDerWaalsContact CE1-CG1 3.49Å; H93-I161 WeakPolarHBondContact CE1-CG1 3.41Å; M157-I161 HydrophobicContact CE-CD1 3.78Å; M157-I161 HydrophobicContact CG-CD1 3.82Å; M157-I161 HydrophobicContact CG-CG1 4.36Å; M157-I161 WeakPolarHBondContact O-CB 3.42Å; M157-I161 VanDerWaalsContact O-CG1 3.25Å; M157-I161 WeakPolarHBondContact O-CG1 3.27Å; M157-I161 PolarHBondContact O-N 3.08Å; I161-S163 VanDerWaalsContact C-N 3.32Å; I161-S163 PolarHBondContact O-N 3.24Å; I161-D164 PolarHBondContact O-N 2.91Å; I161-C165 WeakPolarHBondContact O-CB 3.34Å; I161-C165 PolarHBondContact O-N 2.92Å; I161-C165 PolarHBondContact O-SG 2.88Å; I161-C165 VanDerWaalsContact O-SG 3.37Å
162H97.8Very high96.2Very high95 Ų9549.6 Ų49.644%0.4425%0.249SC..Hα-helixtrans-57.5-48.5177.7178.771.6000110.8G158 N160 C165 M166G158-H162 WeakPolarHBondContact O-CB 3.4Å; G158-H162 PolarHBondContact O-N 3.17Å; N160-H162 PolarHBondContact O-N 3.36Å; H162-C165 WeakPolarHBondContact O-CB 3.29Å; H162-C165 PolarHBondContact O-N 3.49Å; H162-M166 PolarHBondContact NE2-SD 3.2Å; H162-M166 WeakPolarHBondContact O-CG 3.37Å; H162-M166 PolarHBondContact O-N 3.4Å
163S97.6Very high95.5Very high1 Ų149.7 Ų49.71%0.00726%0.258CS..Hα-helixtrans-65.5-40.7-179.5-60.20000112.5I159 N160 I161 M166 L167 A192 N193I159-S163 WeakPolarHBondContact O-CB 3.3Å; I159-S163 PolarHBondContact O-N 3.42Å; I159-S163 PolarHBondContact O-OG 3.48Å; N160-S163 PolarHBondContact O-N 3.18Å; I161-S163 VanDerWaalsContact C-N 3.32Å; I161-S163 PolarHBondContact O-N 3.24Å; S163-M166 PolarHBondContact O-N 2.97Å; S163-L167 WeakPolarHBondContact O-CG 3.46Å; S163-L167 PolarHBondContact O-N 2.91Å; S163-A192 WeakPolarHBondContact OG-CB 3.25Å; S163-N193 VanDerWaalsContact CB-CA 3.49Å; S163-N193 VanDerWaalsContact CB-N 3.33Å
164D96.4Very high94.8Very high7 Ų753.2 Ų53.24%0.03730%0.295CS..Hα-helixtrans-65.5-38.1175.8-84.1-13.4000112.2R94 Y98 N160 I161 L167 R168 N193R94-D164 IonicContact CZ-OD2 3.43Å; R94-D164 IonicContact NH1-OD2 3.71Å; R94-D164 PolarHBondContact NH1-OD2 2.92Å; R94-D164 IonicContact NH2-OD2 3.16Å; Y98-D164 HydrophobicContact CD2-CB 4.1Å; Y98-D164 WeakPolarHBondContact CD2-OD2 3.28Å; Y98-D164 HydrophobicContact CE2-CB 4.16Å; Y98-D164 WeakPolarHBondContact CE2-OD2 3.42Å; N160-D164 WeakPolarHBondContact O-CB 3.42Å; N160-D164 PolarHBondContact O-N 3.21Å; I161-D164 PolarHBondContact O-N 2.91Å; D164-L167 PolarHBondContact O-N 2.97Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 PolarHBondContact O-N 3.11Å; D164-N193 WeakPolarHBondContact OD1-CB 3.24Å; D164-N193 PolarHBondContact OD1-ND2 3.25Å
165C95.4Very high94.2Very high43 Ų4350.6 Ų50.629%0.29128%0.281SS..Hα-helixtrans-61.4-44.3173-78.70000111.5I161 H162 R168 Q169I161-C165 WeakPolarHBondContact O-CB 3.34Å; I161-C165 PolarHBondContact O-N 2.92Å; I161-C165 PolarHBondContact O-SG 2.88Å; I161-C165 VanDerWaalsContact O-SG 3.37Å; H162-C165 WeakPolarHBondContact O-CB 3.29Å; H162-C165 PolarHBondContact O-N 3.49Å; C165-R168 WeakPolarHBondContact O-CB 3.32Å; C165-R168 PolarHBondContact O-N 3.29Å; C165-Q169 WeakPolarHBondContact O-CG 3.47Å; C165-Q169 PolarHBondContact O-N 3.12Å; C165-Q169 VanDerWaalsContact O-N 3.13Å
166M95.4Very high93.3Very high33 Ų3350.6 Ų50.616%0.16328%0.284CS..Hα-helixtrans-63-45.5175.6-65.6-179.371.500111.8H162 S163 R168 Q169 L170 Q182 G183 F186H162-M166 PolarHBondContact NE2-SD 3.2Å; H162-M166 WeakPolarHBondContact O-CG 3.37Å; H162-M166 PolarHBondContact O-N 3.4Å; S163-M166 PolarHBondContact O-N 2.97Å; M166-R168 VanDerWaalsContact C-N 3.26Å; M166-R168 PolarHBondContact O-N 3.09Å; M166-Q169 PolarHBondContact O-N 3.31Å; M166-Q169 VanDerWaalsContact O-N 3.16Å; M166-L170 PolarHBondContact O-N 3.15Å; M166-Q182 WeakPolarHBondContact CE-O 3.42Å; M166-G183 VanDerWaalsContact CE-C 3.43Å; M166-G183 WeakPolarHBondContact CE-O 3.03Å; M166-F186 HydrophobicContact CB-CE2 4.16Å; M166-F186 HydrophobicContact CE-CD2 4.36Å; M166-F186 HydrophobicContact SD-CD2 4.23Å; M166-F186 HydrophobicContact SD-CE2 4.49Å
167L94.8Very high92.8Very high48 Ų4855.2 Ų55.225%0.25131%0.307SS..Hα-helixtrans-60.2-37.1176.6-72.4174.9000112.2S163 D164 L170 P181 F186 N193S163-L167 WeakPolarHBondContact O-CG 3.46Å; S163-L167 PolarHBondContact O-N 2.91Å; D164-L167 PolarHBondContact O-N 2.97Å; L167-L170 HydrophobicContact CD2-CD1 4.02Å; L167-L170 WeakPolarHBondContact O-CB 3.25Å; L167-L170 PolarHBondContact O-N 2.97Å; L167-P181 HydrophobicContact CD2-CB 4.04Å; L167-P181 HydrophobicContact CD2-CG 4.47Å; L167-F186 HydrophobicContact CD1-CZ 3.85Å; L167-F186 HydrophobicContact CD2-CE1 4.19Å; L167-F186 HydrophobicContact CD2-CE2 4.38Å; L167-F186 HydrophobicContact CD2-CZ 3.76Å; L167-F186 HydrophobicContact CG-CE1 4.43Å; L167-F186 HydrophobicContact CG-CE2 4.13Å; L167-F186 HydrophobicContact CG-CZ 3.58Å; L167-N193 HydrophobicContact CD1-CB 4.49Å
168R92Very high92.4Very high43 Ų4355.5 Ų55.516%0.16231%0.307CS..Hα-helixtrans-65.6-38176.9-169.8-171.8-51.7163.56.5112.2L101 R103 D164 C165 M166 L170 R171L101-R168 VanDerWaalsContact CB-CZ 3.5Å; L101-R168 VanDerWaalsContact CB-NH1 3.31Å; L101-R168 WeakPolarHBondContact O-CD 3.47Å; R103-R168 HydrophobicContact CG-CG 4.25Å; R103-R168 PolarHBondContact NH1-O 2.68Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 PolarHBondContact O-N 3.11Å; C165-R168 WeakPolarHBondContact O-CB 3.32Å; C165-R168 PolarHBondContact O-N 3.29Å; M166-R168 VanDerWaalsContact C-N 3.26Å; M166-R168 PolarHBondContact O-N 3.09Å; R168-L170 PolarHBondContact O-N 2.67Å; R168-R171 PolarHBondContact O-N 3.44Å
169Q92.9Very high92.1Very high153 Ų15358.9 Ų58.972%0.71531%0.307SS*.Hα-helixtrans-68.9-19178.8-70.8173.7-2.500112.9C165 M166 R171C165-Q169 WeakPolarHBondContact O-CG 3.47Å; C165-Q169 PolarHBondContact O-N 3.12Å; C165-Q169 VanDerWaalsContact O-N 3.13Å; M166-Q169 PolarHBondContact O-N 3.31Å; M166-Q169 VanDerWaalsContact O-N 3.16Å; Q169-R171 PolarHBondContact O-N 2.96Å
170L92.8Very high91.9Very high37 Ų3759.1 Ų59.119%0.19431%0.308CS..THydrogen-bonded Turntrans-67.9-13.7177-64.3178.1000114.7M166 L167 R168 R179 P181M166-L170 PolarHBondContact O-N 3.15Å; L167-L170 HydrophobicContact CD2-CD1 4.02Å; L167-L170 WeakPolarHBondContact O-CB 3.25Å; L167-L170 PolarHBondContact O-N 2.97Å; R168-L170 PolarHBondContact O-N 2.67Å; L170-R179 HydrophobicContact CB-CB 4.43Å; L170-R179 HydrophobicContact CD2-CB 4.31Å; L170-R179 VanDerWaalsContact O-CD 3.25Å; L170-R179 WeakPolarHBondContact O-CD 3.48Å; L170-R179 PolarHBondContact O-NE 2.75Å; L170-R179 VanDerWaalsContact O-NE 3.14Å; L170-P181 HydrophobicContact CD1-CB 3.98Å
171R91.3Very high91.8Very high37 Ų3759.2 Ų59.214%0.1431%0.309CS..SBendtrans-129.7137.7-176.3-67179.1176.8161.82.5110.8R103 R168 Q169 E175 I177 Y178R103-R171 HydrophobicContact CB-CB 4.37Å; R103-R171 WeakPolarHBondContact CD-O 3.43Å; R103-R171 PolarHBondContact NH1-O 3.26Å; R103-R171 WeakPolarHBondContact O-CD 3.23Å; R103-R171 PolarHBondContact O-NH1 2.91Å; R168-R171 PolarHBondContact O-N 3.44Å; Q169-R171 PolarHBondContact O-N 2.96Å; R171-E175 HydrophobicContact CB-CB 4.31Å; R171-I177 PolarHBondContact NE-O 3.4Å; R171-Y178 VanDerWaalsContact NH2-CZ 3.34Å
172K89.3Confident91.5Very high140 Ų14064 Ų6461%0.60933%0.33SS*.  trans-72.2157.3162.3-61.6-178.9-178.8175.70110.5G174 E175K172-G174 PolarHBondContact O-N 3.07Å; K172-E175 HydrophobicContact CB-CG 3.94Å; K172-E175 WeakPolarHBondContact CD-OE1 3.39Å; K172-E175 PolarHBondContact N-OE2 3.1Å; K172-E175 WeakPolarHBondContact O-CB 3.37Å; K172-E175 PolarHBondContact O-N 3.34Å
173P84.8Confident91.4Very high87 Ų8760.9 Ų60.957%0.56532%0.324SS*.THydrogen-bonded Turntrans-52.8127.5171.7-24.734.8000110.9
174G82.9Confident91.2Very high77 Ų7762.6 Ų62.679%0.79434%0.341SS*.THydrogen-bonded Turntrans88-13.7-176.800000115.5K172K172-G174 PolarHBondContact O-N 3.07Å
175E86.4Confident91.2Very high49 Ų4964.9 Ų64.923%0.22935%0.354CS..  trans-74.1135.2175.9-76.8-178.7-176.800112R171 K172 R179R171-E175 HydrophobicContact CB-CB 4.31Å; K172-E175 HydrophobicContact CB-CG 3.94Å; K172-E175 WeakPolarHBondContact CD-OE1 3.39Å; K172-E175 PolarHBondContact N-OE2 3.1Å; K172-E175 WeakPolarHBondContact O-CB 3.37Å; K172-E175 PolarHBondContact O-N 3.34Å; E175-R179 IonicContact OE1-NH2 3.99Å; E175-R179 IonicContact OE2-CZ 2.69Å; E175-R179 IonicContact OE2-NH2 3.45Å; E175-R179 PolarHBondContact OE2-NH2 3.44Å
176V80.4Confident91.3Very high70 Ų7062.9 Ų62.942%0.42434%0.34SS..  trans-111.516.8-177.7-173.60000112R105R105-V176 HydrophobicContact CG-CG1 3.62Å; R105-V176 VanDerWaalsContact CZ-CG1 3.43Å; R105-V176 PolarHBondContact NH2-O 3.43Å; R105-V176 VanDerWaalsContact NH2-O 3.13Å
177I87Confident91.4Very high98 Ų9864.2 Ų64.250%0.50335%0.35SS..  trans-84.9146.6-175.5-58.7172.2000110.4R171 R179R171-I177 PolarHBondContact NE-O 3.4Å; I177-R179 HydrophobicContact CG2-CG 4.44Å
178Y89.8Confident91.5Very high39 Ų3967.6 Ų67.615%0.15336%0.36CS..  trans-99.9137.6168.7-69.1-80.3000109.8G34 K35 R171 F234 F239G34-Y178 PolarHBondContact O-OH 2.95Å; K35-Y178 WeakPolarHBondContact CA-OH 3.32Å; K35-Y178 HydrophobicContact CB-CE1 4.4Å; K35-Y178 HydrophobicContact CD-CD1 4.28Å; K35-Y178 HydrophobicContact CD-CE1 3.96Å; K35-Y178 HydrophobicContact CG-CD1 3.82Å; K35-Y178 HydrophobicContact CG-CE1 3.13Å; K35-Y178 HydrophobicContact CG-CE2 4.09Å; K35-Y178 PolarHBondContact N-OH 3.5Å; R171-Y178 VanDerWaalsContact NH2-CZ 3.34Å; Y178-F234 HydrophobicContact CD1-CE1 4.43Å; Y178-F234 HydrophobicContact CD2-CE1 4.38Å; Y178-F234 AromaticContact CD2-CZ 3.9Å; Y178-F234 HydrophobicContact CD2-CZ 3.9Å; Y178-F234 HydrophobicContact CE2-CZ 4.37Å; Y178-F234 HydrophobicContact CG-CE1 4.08Å; Y178-F234 HydrophobicContact CG-CZ 4.08Å; Y178-F239 WeakPolarHBondContact O-CZ 3.47Å
179R93.3Very high91.8Very high111 Ų11165.6 Ų65.642%0.41935%0.353SS..  trans-126.3160.6173.2-57.3-174.8-167177.47.7109L170 E175 I177 P181L170-R179 HydrophobicContact CB-CB 4.43Å; L170-R179 HydrophobicContact CD2-CB 4.31Å; L170-R179 VanDerWaalsContact O-CD 3.25Å; L170-R179 WeakPolarHBondContact O-CD 3.48Å; L170-R179 PolarHBondContact O-NE 2.75Å; L170-R179 VanDerWaalsContact O-NE 3.14Å; E175-R179 IonicContact OE1-NH2 3.99Å; E175-R179 IonicContact OE2-CZ 2.69Å; E175-R179 IonicContact OE2-NH2 3.45Å; E175-R179 PolarHBondContact OE2-NH2 3.44Å; I177-R179 HydrophobicContact CG2-CG 4.44Å; R179-P181 WeakPolarHBondContact O-CD 3.38Å
180I94.4Very high92Very high31 Ų3158.5 Ų58.516%0.15932%0.32CS..  trans-72.4121.2174.6-61.6168.1000107.9Q182 F239 Y242I180-Q182 HydrophobicContact CG2-CG 4.36Å; I180-Q182 PolarHBondContact O-N 3.33Å; I180-F239 HydrophobicContact CD1-CB 3.77Å; I180-F239 HydrophobicContact CD1-CD1 4.05Å; I180-F239 HydrophobicContact CD1-CG 3.92Å; I180-F239 HydrophobicContact CG1-CB 4.05Å; I180-F239 HydrophobicContact CG1-CD1 3.88Å; I180-F239 HydrophobicContact CG1-CD2 4.01Å; I180-F239 HydrophobicContact CG1-CE1 4.35Å; I180-F239 HydrophobicContact CG1-CE2 4.47Å; I180-F239 HydrophobicContact CG1-CG 3.7Å; I180-Y242 HydrophobicContact CD1-CD2 4.42Å; I180-Y242 HydrophobicContact CG1-CD2 4.17Å; I180-Y242 HydrophobicContact CG2-CD2 3.96Å; I180-Y242 HydrophobicContact CG2-CE2 4.09Å
181P94.5Very high92.1Very high2 Ų256.7 Ų56.71%0.01331%0.311CS..  trans-67.5131.8172.927.9-32.7000109.9L167 L170 R179 F186 Y235 R246L167-P181 HydrophobicContact CD2-CB 4.04Å; L167-P181 HydrophobicContact CD2-CG 4.47Å; L170-P181 HydrophobicContact CD1-CB 3.98Å; R179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-F186 HydrophobicContact CB-CB 4.08Å; P181-F186 HydrophobicContact CB-CD1 3.73Å; P181-F186 HydrophobicContact CB-CD2 3.93Å; P181-F186 HydrophobicContact CB-CE1 4.07Å; P181-F186 HydrophobicContact CB-CE2 4.25Å; P181-F186 HydrophobicContact CB-CG 3.65Å; P181-F186 HydrophobicContact CB-CZ 4.33Å; P181-F186 HydrophobicContact CG-CB 4.38Å; P181-F186 HydrophobicContact CG-CD1 3.69Å; P181-F186 HydrophobicContact CG-CE1 4.1Å; P181-F186 HydrophobicContact CG-CG 4.06Å; P181-Y235 HydrophobicContact CG-CE2 4.4Å; P181-R246 VanDerWaalsContact O-CZ 3.32Å; P181-R246 PolarHBondContact O-NH1 3.39Å; P181-R246 PolarHBondContact O-NH2 3.47Å
182Q93Very high92.4Very high143 Ų14355 Ų5567%0.66830%0.304SS*.  trans-129.8143.7-178.7-66-176.5-5.900110M166 I180M166-Q182 WeakPolarHBondContact CE-O 3.42Å; I180-Q182 HydrophobicContact CG2-CG 4.36Å; I180-Q182 PolarHBondContact O-N 3.33Å
183G94.2Very high92.8Very high30 Ų3048.9 Ų48.931%0.30928%0.278SS..SBendtrans92.8169.1-178.600000114M166 F186M166-G183 VanDerWaalsContact CE-C 3.43Å; M166-G183 WeakPolarHBondContact CE-O 3.03Å; G183-F186 WeakPolarHBondContact O-CB 3.43Å; G183-F186 PolarHBondContact O-N 2.9Å
184G95.1Very high93.4Very high36 Ų3645.5 Ų45.537%0.37126%0.255SS..G310 helixtrans54.4-144.9-177.800000112.5F186 T187G184-F186 PolarHBondContact O-N 3.42Å; G184-T187 PolarHBondContact O-N 3.21Å; G184-T187 PolarHBondContact O-OG1 2.86Å
185L95.9Very high94.2Very high56 Ų5642.8 Ų42.829%0.29322%0.222SC..G310 helixtrans-69.9-11.8177.3-89.569000113.5I159 T187 Y188 V189 A192 L195I159-L185 HydrophobicContact CD1-CD2 3.95Å; I159-L185 HydrophobicContact CG1-CD2 4.18Å; I159-L185 HydrophobicContact CG2-CD2 3.79Å; L185-T187 PolarHBondContact O-N 3.35Å; L185-T187 VanDerWaalsContact O-N 3.15Å; L185-Y188 PolarHBondContact O-N 3Å; L185-V189 WeakPolarHBondContact O-CG2 3.25Å; L185-V189 PolarHBondContact O-N 3.33Å; L185-V189 VanDerWaalsContact O-N 3.1Å; L185-A192 HydrophobicContact CB-CB 3.81Å; L185-L195 HydrophobicContact CD2-CD2 4.08Å
186F97.2Very high94.7Very high0 Ų040.4 Ų40.40%021%0.211CC..G310 helixtrans-65.4-15.5176-70.7-70.3000113.1M166 L167 P181 G183 G184 Y188 V189 S190 A192 R246M166-F186 HydrophobicContact CB-CE2 4.16Å; M166-F186 HydrophobicContact CE-CD2 4.36Å; M166-F186 HydrophobicContact SD-CD2 4.23Å; M166-F186 HydrophobicContact SD-CE2 4.49Å; L167-F186 HydrophobicContact CD1-CZ 3.85Å; L167-F186 HydrophobicContact CD2-CE1 4.19Å; L167-F186 HydrophobicContact CD2-CE2 4.38Å; L167-F186 HydrophobicContact CD2-CZ 3.76Å; L167-F186 HydrophobicContact CG-CE1 4.43Å; L167-F186 HydrophobicContact CG-CE2 4.13Å; L167-F186 HydrophobicContact CG-CZ 3.58Å; P181-F186 HydrophobicContact CB-CB 4.08Å; P181-F186 HydrophobicContact CB-CD1 3.73Å; P181-F186 HydrophobicContact CB-CD2 3.93Å; P181-F186 HydrophobicContact CB-CE1 4.07Å; P181-F186 HydrophobicContact CB-CE2 4.25Å; P181-F186 HydrophobicContact CB-CG 3.65Å; P181-F186 HydrophobicContact CB-CZ 4.33Å; P181-F186 HydrophobicContact CG-CB 4.38Å; P181-F186 HydrophobicContact CG-CD1 3.69Å; P181-F186 HydrophobicContact CG-CE1 4.1Å; P181-F186 HydrophobicContact CG-CG 4.06Å; G183-F186 WeakPolarHBondContact O-CB 3.43Å; G183-F186 PolarHBondContact O-N 2.9Å; G184-F186 PolarHBondContact O-N 3.42Å; F186-Y188 PolarHBondContact O-N 3.46Å; F186-V189 CarbonylContact C-O 3.22Å; F186-V189 VanDerWaalsContact CA-O 3.29Å; F186-V189 WeakPolarHBondContact CA-O 3.34Å; F186-S190 WeakPolarHBondContact CE1-O 3.29Å; F186-A192 HydrophobicContact CD1-CB 3.61Å; F186-A192 HydrophobicContact CD2-CB 4.13Å; F186-A192 HydrophobicContact CE1-CB 3.61Å; F186-A192 HydrophobicContact CE2-CB 4.12Å; F186-A192 HydrophobicContact CG-CB 3.88Å; F186-A192 HydrophobicContact CZ-CB 3.85Å; F186-R246 VanDerWaalsContact O-CD 3.3Å; F186-R246 WeakPolarHBondContact O-CD 3.33Å; F186-R246 PolarHBondContact O-NE 3.49Å; F186-R246 PolarHBondContact O-NH1 3.43Å; F186-R246 PolarHBondContact O-NH2 3.38Å
187T96.6Very high95.6Very high62 Ų6238.6 Ų38.638%0.3820%0.197SC..G310 helixtrans-66.5-26.8172.657.50000112.6G184 L185 R246G184-T187 PolarHBondContact O-N 3.21Å; G184-T187 PolarHBondContact O-OG1 2.86Å; L185-T187 PolarHBondContact O-N 3.35Å; L185-T187 VanDerWaalsContact O-N 3.15Å; T187-R246 VanDerWaalsContact O-CG 3.3Å; T187-R246 WeakPolarHBondContact O-CG 3.49Å
188Y97.4Very high96.1Very high119 Ų11934.6 Ų34.647%0.46718%0.177SC..THydrogen-bonded Turntrans-102.8-36.8-178.9-55.8-73.2000112.7L185 F186 R246 K247 F252L185-Y188 PolarHBondContact O-N 3Å; F186-Y188 PolarHBondContact O-N 3.46Å; Y188-R246 CarbonylContact O-C 3.56Å; Y188-R246 VanDerWaalsContact O-CA 3.31Å; Y188-R246 WeakPolarHBondContact O-CA 3.35Å; Y188-K247 PolarHBondContact O-N 3.16Å; Y188-F252 AromaticContact CD1-CE1 3.9Å; Y188-F252 HydrophobicContact CD1-CE1 3.9Å; Y188-F252 HydrophobicContact CD1-CE2 4.45Å; Y188-F252 AromaticContact CD1-CZ 3.56Å; Y188-F252 HydrophobicContact CD1-CZ 3.56Å; Y188-F252 HydrophobicContact CE1-CE1 4.25Å; Y188-F252 AromaticContact CE1-CZ 3.75Å; Y188-F252 HydrophobicContact CE1-CZ 3.75Å; Y188-F252 HydrophobicContact CG-CZ 4.5Å
189V97.8Very high96.6Very high1 Ų134.7 Ų34.71%0.00618%0.18CC..BIsolated β-bridgetrans-135.2155.4-172-62.20000112.8L185 F186 A192 L195 K247 L249 P251L185-V189 WeakPolarHBondContact O-CG2 3.25Å; L185-V189 PolarHBondContact O-N 3.33Å; L185-V189 VanDerWaalsContact O-N 3.1Å; F186-V189 CarbonylContact C-O 3.22Å; F186-V189 VanDerWaalsContact CA-O 3.29Å; F186-V189 WeakPolarHBondContact CA-O 3.34Å; V189-A192 HydrophobicContact CG2-CB 3.99Å; V189-L195 HydrophobicContact CG2-CD2 4.2Å; V189-K247 CarbonylContact C-O 3.6Å; V189-K247 VanDerWaalsContact CA-O 3.26Å; V189-K247 WeakPolarHBondContact CA-O 3.34Å; V189-K247 HydrophobicContact CG1-CB 4.35Å; V189-L249 VanDerWaalsContact CG1-O 3.32Å; V189-L249 WeakPolarHBondContact CG1-O 3.36Å; V189-P251 HydrophobicContact CG1-CB 4.3Å; V189-P251 HydrophobicContact CG1-CG 3.83Å
190S97Very high96.8Very high3 Ų329.4 Ų29.42%0.02116%0.16CC..SBendtrans-81.4-39.1-177.9-55.70000112.8F186 H232 Y242 K247 A248F186-S190 WeakPolarHBondContact CE1-O 3.29Å; S190-H232 PolarHBondContact OG-ND1 2.99Å; S190-Y242 PolarHBondContact OG-OH 3.13Å; S190-K247 PolarHBondContact N-O 3.33Å; S190-K247 PolarHBondContact OG-O 2.82Å; S190-A248 PolarHBondContact N-O 3.14Å
191G96.2Very high97Very high0 Ų028 Ų280%015%0.153CC..  trans-104.959179.100000111.7N193 F194 L195 A248G191-N193 VanDerWaalsContact C-N 3.27Å; G191-N193 PolarHBondContact O-N 3.49Å; G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 2.85Å; G191-F194 VanDerWaalsContact O-N 3.1Å; G191-L195 PolarHBondContact O-N 3.47Å; G191-A248 PolarHBondContact N-O 3.22Å
192A98Very high97.2Very high0 Ų032.4 Ų32.40%017%0.174CC..Hα-helixtrans-59.8-36.9-179.100000112.8I159 S163 L185 F186 V189 L195 G196I159-A192 WeakPolarHBondContact CG2-O 3.48Å; S163-A192 WeakPolarHBondContact OG-CB 3.25Å; L185-A192 HydrophobicContact CB-CB 3.81Å; F186-A192 HydrophobicContact CD1-CB 3.61Å; F186-A192 HydrophobicContact CD2-CB 4.13Å; F186-A192 HydrophobicContact CE1-CB 3.61Å; F186-A192 HydrophobicContact CE2-CB 4.12Å; F186-A192 HydrophobicContact CG-CB 3.88Å; F186-A192 HydrophobicContact CZ-CB 3.85Å; V189-A192 HydrophobicContact CG2-CB 3.99Å; A192-L195 PolarHBondContact O-N 2.88Å; A192-G196 PolarHBondContact O-N 3.38Å; A192-G196 VanDerWaalsContact O-N 3.07Å
193N97.6Very high97.5Very high13 Ų1325.6 Ų25.67%0.0714%0.143CC..Hα-helixtrans-64.6-41174.361.6-33.6000112N160 S163 D164 L167 G191 G196 E197N160-N193 PolarHBondContact ND2-O 3.36Å; S163-N193 VanDerWaalsContact CB-CA 3.49Å; S163-N193 VanDerWaalsContact CB-N 3.33Å; D164-N193 WeakPolarHBondContact OD1-CB 3.24Å; D164-N193 PolarHBondContact OD1-ND2 3.25Å; L167-N193 HydrophobicContact CD1-CB 4.49Å; G191-N193 VanDerWaalsContact C-N 3.27Å; G191-N193 PolarHBondContact O-N 3.49Å; N193-G196 PolarHBondContact O-N 3.04Å; N193-E197 PolarHBondContact O-N 2.83Å
194F97.7Very high97.7Very high16 Ų1624.2 Ų24.27%0.0713%0.128CC..Hα-helixtrans-65.3-40.3176.1-59.8-26.8000112.5G191 G196 E197 I198 L224 Q227 A228 H231 L249G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 2.85Å; G191-F194 VanDerWaalsContact O-N 3.1Å; F194-G196 VanDerWaalsContact C-N 3.34Å; F194-E197 PolarHBondContact O-N 2.99Å; F194-I198 VanDerWaalsContact O-CG1 3.32Å; F194-I198 WeakPolarHBondContact O-CG1 3.4Å; F194-I198 PolarHBondContact O-N 3.43Å; F194-L224 HydrophobicContact CB-CB 4.07Å; F194-L224 HydrophobicContact CB-CD1 4.48Å; F194-L224 HydrophobicContact CD1-CB 4.43Å; F194-L224 HydrophobicContact CD1-CD1 4.27Å; F194-L224 HydrophobicContact CD1-CD2 3.92Å; F194-L224 HydrophobicContact CD1-CG 4.45Å; F194-L224 HydrophobicContact CE1-CD2 4.09Å; F194-L224 HydrophobicContact CG-CB 4.25Å; F194-Q227 HydrophobicContact CD2-CB 4.42Å; F194-Q227 HydrophobicContact CE2-CB 3.76Å; F194-Q227 HydrophobicContact CZ-CB 4.09Å; F194-A228 HydrophobicContact CD2-CB 3.88Å; F194-H231 AromaticContact CE2-CE1 3.64Å; F194-H231 AromaticContact CE2-ND1 3.38Å; F194-H231 WeakPolarHBondContact CE2-ND1 3.47Å; F194-H231 AromaticContact CZ-CE1 3.6Å; F194-H231 AromaticContact CZ-ND1 3.82Å; F194-L249 HydrophobicContact CB-CD1 3.95Å
195L98.2Very high97.8Very high19 Ų1922.5 Ų22.510%0.09911%0.11CC..Hα-helixtrans-59.7-46.6173.817662.8000111L185 V189 G191 A192 E197 I198 I199 L249 P251L185-L195 HydrophobicContact CD2-CD2 4.08Å; V189-L195 HydrophobicContact CG2-CD2 4.2Å; G191-L195 PolarHBondContact O-N 3.47Å; A192-L195 PolarHBondContact O-N 2.88Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 3.33Å; L195-I199 HydrophobicContact CD1-CD1 3.86Å; L195-I199 HydrophobicContact CD1-CG1 4.21Å; L195-I199 HydrophobicContact CG-CD1 3.87Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 2.92Å; L195-L249 HydrophobicContact CB-CD1 3.99Å; L195-L249 WeakPolarHBondContact CD2-O 3.09Å; L195-P251 HydrophobicContact CD2-CG 4.18Å
196G98.3Very high97.9Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-56.6-47.9176.100000112.3G156 A192 N193 F194 I198 I199 E200G156-G196 CarbonylContact C-O 3.57Å; G156-G196 VanDerWaalsContact C-O 3.22Å; G156-G196 WeakPolarHBondContact CA-O 3.13Å; G156-G196 CarbonylContact O-C 3.58Å; G156-G196 VanDerWaalsContact O-C 3.26Å; G156-G196 VanDerWaalsContact O-CA 3.25Å; G156-G196 WeakPolarHBondContact O-CA 3.43Å; A192-G196 PolarHBondContact O-N 3.38Å; A192-G196 VanDerWaalsContact O-N 3.07Å; N193-G196 PolarHBondContact O-N 3.04Å; F194-G196 VanDerWaalsContact C-N 3.34Å; G196-I198 PolarHBondContact O-N 2.86Å; G196-I199 PolarHBondContact O-N 2.91Å; G196-E200 WeakPolarHBondContact O-CB 3.45Å; G196-E200 PolarHBondContact O-N 2.9Å
197E98.3Very high98Very high31 Ų3122 Ų2215%0.14511%0.108CC..Hα-helixtrans-66-37.2-178.9-156.5157.9153.200112.7R94 N160 N193 F194 L195 E200 W201 L224R94-E197 IonicContact CZ-OE2 2.96Å; R94-E197 IonicContact NH2-OE2 3.69Å; R94-E197 PolarHBondContact NH2-OE2 2.89Å; N160-E197 PolarHBondContact ND2-OE2 3.48Å; N193-E197 PolarHBondContact O-N 2.83Å; F194-E197 PolarHBondContact O-N 2.99Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.49Å; E197-E200 WeakPolarHBondContact O-CB 3.1Å; E197-E200 PolarHBondContact O-N 2.79Å; E197-W201 PolarHBondContact O-N 3.46Å; E197-L224 HydrophobicContact CB-CD1 3.77Å; E197-L224 HydrophobicContact CG-CD1 3.95Å
198I98.4Very high98Very high15 Ų1519.3 Ų19.38%0.0779%0.091CC..Hα-helixtrans-64.9-46.1174.4-70.6167.5000110.6F194 L195 G196 E200 W201 M202 T220 L221 L224 L249F194-I198 VanDerWaalsContact O-CG1 3.32Å; F194-I198 WeakPolarHBondContact O-CG1 3.4Å; F194-I198 PolarHBondContact O-N 3.43Å; L195-I198 PolarHBondContact O-N 3.33Å; G196-I198 PolarHBondContact O-N 2.86Å; I198-E200 VanDerWaalsContact C-N 3.25Å; I198-E200 PolarHBondContact O-N 2.85Å; I198-W201 PolarHBondContact O-N 3.26Å; I198-M202 HydrophobicContact CG2-CG 4.26Å; I198-M202 WeakPolarHBondContact O-CB 3.43Å; I198-M202 WeakPolarHBondContact O-CG 3.4Å; I198-M202 PolarHBondContact O-N 3.01Å; I198-T220 HydrophobicContact CG1-CG2 4.22Å; I198-L221 HydrophobicContact CD1-CD1 3.98Å; I198-L221 HydrophobicContact CG2-CB 4.49Å; I198-L221 HydrophobicContact CG2-CD1 4.06Å; I198-L224 HydrophobicContact CD1-CB 4.14Å; I198-L224 HydrophobicContact CG1-CB 4.36Å; I198-L249 HydrophobicContact CD1-CD1 3.97Å; I198-L249 HydrophobicContact CD1-CD2 3.57Å; I198-L249 HydrophobicContact CD1-CG 4.33Å
199I98.5Very high98Very high41 Ų4119.8 Ų19.821%0.219%0.092CC..Hα-helixtrans-60.4-40.6176.8-68168.6000110.4F152 I159 L195 G196 M202 G203F152-I199 HydrophobicContact CB-CG2 4.21Å; F152-I199 HydrophobicContact CD1-CG2 3.74Å; F152-I199 HydrophobicContact CG-CG2 4.42Å; I159-I199 HydrophobicContact CD1-CD1 4.36Å; L195-I199 HydrophobicContact CD1-CD1 3.86Å; L195-I199 HydrophobicContact CD1-CG1 4.21Å; L195-I199 HydrophobicContact CG-CD1 3.87Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 2.92Å; G196-I199 PolarHBondContact O-N 2.91Å; I199-M202 PolarHBondContact O-N 3.32Å; I199-G203 PolarHBondContact O-N 3.15Å
200E98.7Very high98Very high0 Ų019.8 Ų19.80%09%0.092CC..Hα-helixtrans-58.4-53.8178.4-179.4174.7-170.200111.4H90 F153 M157 G196 E197 I198 G203 Y204H90-E200 IonicContact CE1-OE1 3.62Å; H90-E200 IonicContact CE1-OE2 2.9Å; H90-E200 PolarHBondContact CE1-OE2 3.11Å; H90-E200 IonicContact CG-OE1 3.96Å; H90-E200 IonicContact ND1-OE1 2.79Å; H90-E200 PolarHBondContact ND1-OE1 3.14Å; H90-E200 IonicContact ND1-OE2 3.68Å; H90-E200 PolarHBondContact ND1-OE2 3.34Å; H90-E200 VanDerWaalsContact ND1-OE2 3.16Å; F153-E200 HydrophobicContact CD2-CG 3.55Å; F153-E200 WeakPolarHBondContact CD2-O 3.47Å; F153-E200 HydrophobicContact CE2-CG 3.55Å; F153-E200 HydrophobicContact CG-CG 4.2Å; F153-E200 HydrophobicContact CZ-CG 4.17Å; F153-E200 WeakPolarHBondContact CZ-OE1 3.47Å; M157-E200 HydrophobicContact CB-CG 4.25Å; M157-E200 WeakPolarHBondContact CB-OE1 3.37Å; M157-E200 WeakPolarHBondContact CG-OE1 3.19Å; G196-E200 WeakPolarHBondContact O-CB 3.45Å; G196-E200 PolarHBondContact O-N 2.9Å; E197-E200 WeakPolarHBondContact O-CB 3.1Å; E197-E200 PolarHBondContact O-N 2.79Å; I198-E200 VanDerWaalsContact C-N 3.25Å; I198-E200 PolarHBondContact O-N 2.85Å; E200-G203 PolarHBondContact O-N 2.81Å; E200-Y204 PolarHBondContact O-N 2.89Å
201W98.6Very high98Very high2 Ų223.4 Ų23.41%0.00811%0.114CC..Hα-helixtrans-72.8-29.6-177.8-65117.6000113.6F87 H90 Y91 F153 E197 I198 Y204 A205 F216 A217F87-W201 AromaticContact CD2-CH2 3.77Å; F87-W201 HydrophobicContact CD2-CH2 3.77Å; F87-W201 AromaticContact CD2-CZ3 3.67Å; F87-W201 HydrophobicContact CD2-CZ3 3.67Å; F87-W201 AromaticContact CE2-CH2 3.93Å; F87-W201 HydrophobicContact CE2-CH2 3.93Å; F87-W201 HydrophobicContact CE2-CZ3 4.03Å; H90-W201 HydrophobicContact CB-CH2 4.31Å; H90-W201 AromaticContact CD2-CH2 3.93Å; H90-W201 AromaticContact CD2-CZ2 3.53Å; H90-W201 AromaticContact CE1-CZ2 3.83Å; H90-W201 AromaticContact CG-CH2 3.98Å; H90-W201 AromaticContact CG-CZ2 3.81Å; H90-W201 AromaticContact ND1-CZ2 3.99Å; H90-W201 AromaticContact NE2-CZ2 3.59Å; Y91-W201 HydrophobicContact CD2-CH2 4.43Å; Y91-W201 AromaticContact CE2-CH2 3.83Å; Y91-W201 HydrophobicContact CE2-CH2 3.83Å; Y91-W201 HydrophobicContact CE2-CZ2 4.06Å; F153-W201 HydrophobicContact CE2-CZ3 4.37Å; E197-W201 PolarHBondContact O-N 3.46Å; I198-W201 PolarHBondContact O-N 3.26Å; W201-Y204 HydrophobicContact CE3-CD1 4.02Å; W201-Y204 AromaticContact CE3-CG 3.99Å; W201-Y204 HydrophobicContact CE3-CG 3.99Å; W201-Y204 HydrophobicContact CZ3-CD1 4.08Å; W201-Y204 HydrophobicContact CZ3-CG 4.1Å; W201-Y204 WeakPolarHBondContact O-CB 3.31Å; W201-Y204 PolarHBondContact O-N 3.4Å; W201-A205 WeakPolarHBondContact O-CB 3.29Å; W201-A205 PolarHBondContact O-N 3.02Å; W201-F216 AromaticContact CD2-CD1 3.95Å; W201-F216 HydrophobicContact CD2-CD1 3.95Å; W201-F216 AromaticContact CD2-CE1 3.36Å; W201-F216 HydrophobicContact CD2-CE1 3.36Å; W201-F216 HydrophobicContact CD2-CZ 4.04Å; W201-F216 AromaticContact CE2-CE1 3.38Å; W201-F216 AromaticContact CE2-CZ 3.69Å; W201-F216 AromaticContact CE3-CD1 3.84Å; W201-F216 HydrophobicContact CE3-CD1 3.84Å; W201-F216 AromaticContact CE3-CE1 3.48Å; W201-F216 HydrophobicContact CE3-CE1 3.48Å; W201-F216 VanDerWaalsContact CE3-CE1 3.48Å; W201-F216 HydrophobicContact CG-CD1 4.44Å; W201-F216 HydrophobicContact CG-CE1 4.06Å; W201-F216 HydrophobicContact CG-CZ 4.5Å; W201-F216 AromaticContact CH2-CE1 3.69Å; W201-F216 HydrophobicContact CH2-CE1 3.69Å; W201-F216 HydrophobicContact CH2-CZ 4.44Å; W201-F216 AromaticContact CZ2-CE1 3.54Å; W201-F216 HydrophobicContact CZ2-CE1 3.54Å; W201-F216 AromaticContact CZ2-CZ 3.89Å; W201-F216 HydrophobicContact CZ2-CZ 3.89Å; W201-F216 HydrophobicContact CZ3-CD1 4.23Å; W201-F216 AromaticContact CZ3-CE1 3.67Å; W201-F216 HydrophobicContact CZ3-CE1 3.67Å; W201-F216 AromaticContact NE1-CZ 3.94Å; W201-A217 HydrophobicContact CB-CB 4.09Å; W201-A217 WeakPolarHBondContact O-CB 3.36Å
202M98.3Very high98.1Very high93 Ų9323.4 Ų23.446%0.45811%0.114SC..Hα-helixtrans-65.6-41.8170.6-69.8-66.5-70.300111.2I198 I199 A205 L206 A217I198-M202 HydrophobicContact CG2-CG 4.26Å; I198-M202 WeakPolarHBondContact O-CB 3.43Å; I198-M202 WeakPolarHBondContact O-CG 3.4Å; I198-M202 PolarHBondContact O-N 3.01Å; I199-M202 PolarHBondContact O-N 3.32Å; M202-A205 PolarHBondContact O-N 2.83Å; M202-L206 PolarHBondContact O-N 2.72Å; M202-L206 VanDerWaalsContact O-N 3.07Å; M202-A217 HydrophobicContact SD-CB 3.86Å
203G98.5Very high98.1Very high1 Ų123.5 Ų23.51%0.0112%0.115CC..Hα-helixtrans-61.9-42.4171.500000112.2G149 I199 E200 A205 L206 A207G149-G203 CarbonylContact C-O 3.5Å; G149-G203 WeakPolarHBondContact CA-O 3.47Å; G149-G203 CarbonylContact O-C 3.41Å; G149-G203 VanDerWaalsContact O-C 3.28Å; G149-G203 VanDerWaalsContact O-CA 3.25Å; G149-G203 WeakPolarHBondContact O-CA 3.4Å; I199-G203 PolarHBondContact O-N 3.15Å; E200-G203 PolarHBondContact O-N 2.81Å; G203-A205 PolarHBondContact O-N 3.47Å; G203-L206 PolarHBondContact O-N 2.93Å; G203-A207 WeakPolarHBondContact O-CB 3.43Å; G203-A207 PolarHBondContact O-N 2.96Å
204Y98.6Very high98.1Very high1 Ų126.9 Ų26.90%0.00413%0.129CC..Hα-helixtrans-60.1-45.4175.4-164.8-107.4000112.9L83 L86 F87 L130 F153 E200 W201 L206 A207 T208 A213L83-Y204 HydrophobicContact CB-CE2 4.49Å; L83-Y204 WeakPolarHBondContact O-CE2 3.32Å; L83-Y204 PolarHBondContact O-OH 3.42Å; L86-Y204 HydrophobicContact CB-CE2 4.34Å; F87-Y204 HydrophobicContact CB-CE2 4.2Å; F87-Y204 WeakPolarHBondContact CB-OH 3.26Å; F87-Y204 HydrophobicContact CD2-CE1 4.18Å; L130-Y204 WeakPolarHBondContact CD1-OH 3.2Å; F153-Y204 AromaticContact CD2-CD2 3.78Å; F153-Y204 HydrophobicContact CD2-CD2 3.78Å; F153-Y204 HydrophobicContact CD2-CG 4.26Å; F153-Y204 AromaticContact CE2-CD2 3.74Å; F153-Y204 HydrophobicContact CE2-CD2 3.74Å; F153-Y204 HydrophobicContact CE2-CG 4.32Å; E200-Y204 PolarHBondContact O-N 2.89Å; W201-Y204 HydrophobicContact CE3-CD1 4.02Å; W201-Y204 AromaticContact CE3-CG 3.99Å; W201-Y204 HydrophobicContact CE3-CG 3.99Å; W201-Y204 HydrophobicContact CZ3-CD1 4.08Å; W201-Y204 HydrophobicContact CZ3-CG 4.1Å; W201-Y204 WeakPolarHBondContact O-CB 3.31Å; W201-Y204 PolarHBondContact O-N 3.4Å; Y204-L206 VanDerWaalsContact C-N 3.3Å; Y204-L206 PolarHBondContact O-N 3.46Å; Y204-A207 PolarHBondContact O-N 3.29Å; Y204-T208 HydrophobicContact CD1-CG2 4.02Å; Y204-T208 HydrophobicContact CD2-CG2 4.42Å; Y204-T208 HydrophobicContact CE1-CG2 3.62Å; Y204-T208 HydrophobicContact CE2-CG2 4.06Å; Y204-T208 HydrophobicContact CG-CG2 4.4Å; Y204-T208 WeakPolarHBondContact O-CB 3.47Å; Y204-T208 VanDerWaalsContact O-CG2 3.32Å; Y204-T208 WeakPolarHBondContact O-CG2 3.5Å; Y204-T208 PolarHBondContact O-N 3.5Å; Y204-T208 PolarHBondContact O-OG1 2.96Å; Y204-A213 HydrophobicContact CD1-CB 3.99Å; Y204-A213 HydrophobicContact CE1-CB 4.28Å
205A98.5Very high98.1Very high0 Ų026.7 Ų26.70%013%0.13CC..Hα-helixtrans-62.4-39.517700000111.6W201 M202 G203 T208 W209 A213 F214 A217W201-A205 WeakPolarHBondContact O-CB 3.29Å; W201-A205 PolarHBondContact O-N 3.02Å; M202-A205 PolarHBondContact O-N 2.83Å; G203-A205 PolarHBondContact O-N 3.47Å; A205-T208 PolarHBondContact O-OG1 2.73Å; A205-W209 VanDerWaalsContact O-CA 3.3Å; A205-W209 WeakPolarHBondContact O-CA 3.18Å; A205-W209 PolarHBondContact O-N 2.85Å; A205-A213 HydrophobicContact CB-CB 4.15Å; A205-F214 HydrophobicContact CB-CD1 3.72Å; A205-F214 HydrophobicContact CB-CD2 4.39Å; A205-F214 HydrophobicContact CB-CE1 3.92Å; A205-F214 HydrophobicContact CB-CG 3.96Å; A205-F214 HydrophobicContact CB-CZ 4.34Å; A205-A217 HydrophobicContact CB-CB 4.08Å
206L98.1Very high98.1Very high45 Ų4526 Ų2624%0.23613%0.127CC..Hα-helixtrans-65.6-44175.2-171.960.3000112.2R145 V148 M202 G203 Y204 W209R145-L206 HydrophobicContact CB-CD1 4.29Å; R145-L206 HydrophobicContact CB-CG 4.43Å; R145-L206 HydrophobicContact CG-CD1 4.23Å; V148-L206 HydrophobicContact CB-CD2 4.14Å; V148-L206 HydrophobicContact CG1-CD2 3.78Å; M202-L206 PolarHBondContact O-N 2.72Å; M202-L206 VanDerWaalsContact O-N 3.07Å; G203-L206 PolarHBondContact O-N 2.93Å; Y204-L206 VanDerWaalsContact C-N 3.3Å; Y204-L206 PolarHBondContact O-N 3.46Å; L206-W209 HydrophobicContact CD1-CE3 3.97Å; L206-W209 HydrophobicContact CD1-CZ3 3.63Å; L206-W209 PolarHBondContact O-N 2.83Å
207A98Very high98.1Very high1 Ų126.1 Ų26.11%0.00813%0.127CC..Hα-helixtrans-71.4-35.9-177.800000113.3L83 W140 V150 G203 Y204L83-A207 HydrophobicContact CD2-CB 3.59Å; W140-A207 PolarHBondContact NE1-O 2.9Å; V150-A207 HydrophobicContact CG2-CB 4.12Å; G203-A207 WeakPolarHBondContact O-CB 3.43Å; G203-A207 PolarHBondContact O-N 2.96Å; Y204-A207 PolarHBondContact O-N 3.29Å
208T97.7Very high98.1Very high4 Ų428.4 Ų28.43%0.02514%0.137CC..Hα-helixtrans-81.8-22.9174.959.60000113.1L83 L130 Y136 Y204 A205 S210 A213L83-T208 HydrophobicContact CB-CG2 4.02Å; L83-T208 HydrophobicContact CD1-CG2 3.98Å; L83-T208 HydrophobicContact CD2-CG2 4.13Å; L83-T208 HydrophobicContact CG-CG2 4.27Å; L130-T208 HydrophobicContact CD1-CG2 4.34Å; L130-T208 HydrophobicContact CD2-CG2 3.96Å; Y136-T208 WeakPolarHBondContact CE1-O 3.37Å; Y136-T208 PolarHBondContact OH-O 3.05Å; Y136-T208 VanDerWaalsContact OH-O 3.12Å; Y204-T208 HydrophobicContact CD1-CG2 4.02Å; Y204-T208 HydrophobicContact CD2-CG2 4.42Å; Y204-T208 HydrophobicContact CE1-CG2 3.62Å; Y204-T208 HydrophobicContact CE2-CG2 4.06Å; Y204-T208 HydrophobicContact CG-CG2 4.4Å; Y204-T208 WeakPolarHBondContact O-CB 3.47Å; Y204-T208 VanDerWaalsContact O-CG2 3.32Å; Y204-T208 WeakPolarHBondContact O-CG2 3.5Å; Y204-T208 PolarHBondContact O-N 3.5Å; Y204-T208 PolarHBondContact O-OG1 2.96Å; A205-T208 PolarHBondContact O-OG1 2.73Å; T208-S210 WeakPolarHBondContact CB-OG 3.16Å; T208-S210 PolarHBondContact O-N 2.92Å; T208-S210 VanDerWaalsContact O-N 3.09Å; T208-S210 PolarHBondContact OG1-OG 3.19Å; T208-A213 WeakPolarHBondContact OG1-CB 3.38Å
209W97.9Very high98Very high130 Ų13028.3 Ų28.349%0.49214%0.136SC..THydrogen-bonded Turntrans46.838.9-174.2-158.9-108.8000113.1W140 R145 A205 L206 F214W140-W209 HydrophobicContact CH2-CB 3.61Å; W140-W209 AromaticContact CH2-CG 3.99Å; W140-W209 HydrophobicContact CH2-CG 3.99Å; W140-W209 HydrophobicContact CZ2-CB 3.66Å; W140-W209 HydrophobicContact CZ2-CG 4.5Å; R145-W209 HydrophobicContact CG-CE3 4.34Å; R145-W209 HydrophobicContact CG-CZ3 4.47Å; A205-W209 VanDerWaalsContact O-CA 3.3Å; A205-W209 WeakPolarHBondContact O-CA 3.18Å; A205-W209 PolarHBondContact O-N 2.85Å; L206-W209 HydrophobicContact CD1-CE3 3.97Å; L206-W209 HydrophobicContact CD1-CZ3 3.63Å; L206-W209 PolarHBondContact O-N 2.83Å; W209-F214 HydrophobicContact CD2-CE2 4.48Å; W209-F214 HydrophobicContact CE3-CE2 4.1Å; W209-F214 AromaticContact CE3-CZ 3.99Å; W209-F214 HydrophobicContact CE3-CZ 3.99Å; W209-F214 HydrophobicContact CZ3-CE2 4.38Å; W209-F214 AromaticContact CZ3-CZ 3.92Å; W209-F214 HydrophobicContact CZ3-CZ 3.92Å
210S96.6Very high98Very high1 Ų126.7 Ų26.71%0.00713%0.128CC..  trans-115.8137.4-168.7690000112.6T208 A213 F214T208-S210 WeakPolarHBondContact CB-OG 3.16Å; T208-S210 PolarHBondContact O-N 2.92Å; T208-S210 VanDerWaalsContact O-N 3.09Å; T208-S210 PolarHBondContact OG1-OG 3.19Å; S210-A213 PolarHBondContact O-N 3Å; S210-A213 WeakPolarHBondContact OG-CB 3.06Å; S210-A213 PolarHBondContact OG-N 3.1Å; S210-F214 VanDerWaalsContact O-CD2 3.23Å; S210-F214 WeakPolarHBondContact O-CD2 3.33Å; S210-F214 PolarHBondContact O-N 2.68Å
211V96.9Very high97.9Very high79 Ų7930 Ų3048%0.47915%0.145SC..Hα-helixtrans-50.7-49.3175.2179.20000112.7L11 A213 F214 A215L11-V211 HydrophobicContact CD2-CG1 4.47Å; V211-A213 PolarHBondContact O-N 3.43Å; V211-F214 PolarHBondContact O-N 2.85Å; V211-A215 PolarHBondContact O-N 3.18Å
212P97.8Very high97.8Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-67.7-34-178.828.7-38.3000113.1V10 S14 L125 Q126 Y129 A215 F216V10-P212 HydrophobicContact CG1-CG 4.33Å; S14-P212 WeakPolarHBondContact OG-CA 3.39Å; S14-P212 WeakPolarHBondContact OG-CB 3.4Å; L125-P212 HydrophobicContact CD1-CB 4.06Å; L125-P212 HydrophobicContact CD2-CB 3.72Å; L125-P212 HydrophobicContact CG-CB 3.65Å; Q126-P212 VanDerWaalsContact OE1-CB 3.26Å; Q126-P212 PolarHBondContact OE1-O 3.18Å; Y129-P212 HydrophobicContact CD1-CG 3.94Å; Y129-P212 HydrophobicContact CD2-CG 3.84Å; Y129-P212 HydrophobicContact CE1-CG 4.5Å; Y129-P212 HydrophobicContact CE2-CG 4.37Å; Y129-P212 HydrophobicContact CG-CG 3.56Å; P212-A215 PolarHBondContact O-N 3.15Å; P212-F216 PolarHBondContact O-N 2.75Å
213A98Very high97.6Very high1 Ų128.2 Ų28.21%0.00814%0.135CC..Hα-helixtrans-68.9-38.5174.400000112.7Y204 A205 T208 S210 V211 A215 F216 A217Y204-A213 HydrophobicContact CD1-CB 3.99Å; Y204-A213 HydrophobicContact CE1-CB 4.28Å; A205-A213 HydrophobicContact CB-CB 4.15Å; T208-A213 WeakPolarHBondContact OG1-CB 3.38Å; S210-A213 PolarHBondContact O-N 3Å; S210-A213 WeakPolarHBondContact OG-CB 3.06Å; S210-A213 PolarHBondContact OG-N 3.1Å; V211-A213 PolarHBondContact O-N 3.43Å; A213-A215 VanDerWaalsContact C-N 3.33Å; A213-F216 PolarHBondContact O-N 3.45Å; A213-A217 WeakPolarHBondContact O-CB 3.37Å; A213-A217 PolarHBondContact O-N 2.91Å
214F98.2Very high97.5Very high85 Ų8528.7 Ų28.737%0.37314%0.137SC..Hα-helixtrans-61.8-42171.5-82.8-69.6000111.6A205 W209 S210 V211 F216 A217 F218A205-F214 HydrophobicContact CB-CD1 3.72Å; A205-F214 HydrophobicContact CB-CD2 4.39Å; A205-F214 HydrophobicContact CB-CE1 3.92Å; A205-F214 HydrophobicContact CB-CG 3.96Å; A205-F214 HydrophobicContact CB-CZ 4.34Å; W209-F214 HydrophobicContact CD2-CE2 4.48Å; W209-F214 HydrophobicContact CE3-CE2 4.1Å; W209-F214 AromaticContact CE3-CZ 3.99Å; W209-F214 HydrophobicContact CE3-CZ 3.99Å; W209-F214 HydrophobicContact CZ3-CE2 4.38Å; W209-F214 AromaticContact CZ3-CZ 3.92Å; W209-F214 HydrophobicContact CZ3-CZ 3.92Å; S210-F214 VanDerWaalsContact O-CD2 3.23Å; S210-F214 WeakPolarHBondContact O-CD2 3.33Å; S210-F214 PolarHBondContact O-N 2.68Å; V211-F214 PolarHBondContact O-N 2.85Å; F214-F216 VanDerWaalsContact C-N 3.35Å; F214-F216 PolarHBondContact O-N 3.06Å; F214-A217 PolarHBondContact O-N 2.78Å; F214-F218 WeakPolarHBondContact O-CB 3.36Å; F214-F218 PolarHBondContact O-N 2.73Å
215A98Very high97.3Very high11 Ų1129 Ų299%0.09114%0.142CC..Hα-helixtrans-63-41176.200000112.1S14 L17 V211 P212 A213 F218 F219S14-A215 WeakPolarHBondContact O-CB 3.34Å; L17-A215 HydrophobicContact CB-CB 4.1Å; L17-A215 HydrophobicContact CD1-CB 4.46Å; V211-A215 PolarHBondContact O-N 3.18Å; P212-A215 PolarHBondContact O-N 3.15Å; A213-A215 VanDerWaalsContact C-N 3.33Å; A215-F218 PolarHBondContact O-N 2.97Å; A215-F219 WeakPolarHBondContact O-CB 3.49Å; A215-F219 PolarHBondContact O-N 2.97Å
216F98.1Very high97.1Very high6 Ų630 Ų303%0.02615%0.146CC..Hα-helixtrans-67.3-44.2175.7179.8-139.7000112.2L17 F87 F118 N122 W201 P212 A213 F214 F218 F219 T220L17-F216 HydrophobicContact CD1-CB 4.18Å; F87-F216 HydrophobicContact CE2-CE1 4.31Å; F118-F216 AromaticContact CE1-CE2 3.97Å; F118-F216 HydrophobicContact CE1-CE2 3.97Å; F118-F216 HydrophobicContact CZ-CD2 4.01Å; F118-F216 AromaticContact CZ-CE2 3.82Å; F118-F216 HydrophobicContact CZ-CE2 3.82Å; N122-F216 WeakPolarHBondContact ND2-CE1 3.44Å; N122-F216 WeakPolarHBondContact ND2-CE2 3.49Å; N122-F216 VanDerWaalsContact ND2-CZ 3.31Å; N122-F216 WeakPolarHBondContact ND2-CZ 3.35Å; W201-F216 AromaticContact CD2-CD1 3.95Å; W201-F216 HydrophobicContact CD2-CD1 3.95Å; W201-F216 AromaticContact CD2-CE1 3.36Å; W201-F216 HydrophobicContact CD2-CE1 3.36Å; W201-F216 HydrophobicContact CD2-CZ 4.04Å; W201-F216 AromaticContact CE2-CE1 3.38Å; W201-F216 AromaticContact CE2-CZ 3.69Å; W201-F216 AromaticContact CE3-CD1 3.84Å; W201-F216 HydrophobicContact CE3-CD1 3.84Å; W201-F216 AromaticContact CE3-CE1 3.48Å; W201-F216 HydrophobicContact CE3-CE1 3.48Å; W201-F216 VanDerWaalsContact CE3-CE1 3.48Å; W201-F216 HydrophobicContact CG-CD1 4.44Å; W201-F216 HydrophobicContact CG-CE1 4.06Å; W201-F216 HydrophobicContact CG-CZ 4.5Å; W201-F216 AromaticContact CH2-CE1 3.69Å; W201-F216 HydrophobicContact CH2-CE1 3.69Å; W201-F216 HydrophobicContact CH2-CZ 4.44Å; W201-F216 AromaticContact CZ2-CE1 3.54Å; W201-F216 HydrophobicContact CZ2-CE1 3.54Å; W201-F216 AromaticContact CZ2-CZ 3.89Å; W201-F216 HydrophobicContact CZ2-CZ 3.89Å; W201-F216 HydrophobicContact CZ3-CD1 4.23Å; W201-F216 AromaticContact CZ3-CE1 3.67Å; W201-F216 HydrophobicContact CZ3-CE1 3.67Å; W201-F216 AromaticContact NE1-CZ 3.94Å; P212-F216 PolarHBondContact O-N 2.75Å; A213-F216 PolarHBondContact O-N 3.45Å; F214-F216 VanDerWaalsContact C-N 3.35Å; F214-F216 PolarHBondContact O-N 3.06Å; F216-F218 VanDerWaalsContact C-N 3.31Å; F216-F218 PolarHBondContact O-N 3.46Å; F216-F219 HydrophobicContact CD2-CD1 4.3Å; F216-F219 HydrophobicContact CE2-CD1 4.4Å; F216-F219 WeakPolarHBondContact O-CB 3.39Å; F216-F219 PolarHBondContact O-N 3.5Å; F216-T220 WeakPolarHBondContact CE2-OG1 3.29Å; F216-T220 WeakPolarHBondContact O-CB 3.46Å; F216-T220 PolarHBondContact O-N 2.98Å; F216-T220 PolarHBondContact O-OG1 2.7Å; F216-T220 VanDerWaalsContact O-OG1 3.1Å
217A98.3Very high96.8Very high1 Ų128.1 Ų28.11%0.00814%0.136CC..Hα-helixtrans-60-41.9175.700000111.8W201 M202 A205 A213 F214 T220 L221W201-A217 HydrophobicContact CB-CB 4.09Å; W201-A217 WeakPolarHBondContact O-CB 3.36Å; M202-A217 HydrophobicContact SD-CB 3.86Å; A205-A217 HydrophobicContact CB-CB 4.08Å; A213-A217 WeakPolarHBondContact O-CB 3.37Å; A213-A217 PolarHBondContact O-N 2.91Å; F214-A217 PolarHBondContact O-N 2.78Å; A217-T220 PolarHBondContact O-N 3.14Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 3.03Å
218F98.2Very high96.7Very high79 Ų7928 Ų2835%0.34614%0.136SC..Hα-helixtrans-63.4-46174.2176.9-98.7000112.3A18 F214 A215 F216 T220 L221 C222A18-F218 HydrophobicContact CB-CD1 4.4Å; F214-F218 WeakPolarHBondContact O-CB 3.36Å; F214-F218 PolarHBondContact O-N 2.73Å; A215-F218 PolarHBondContact O-N 2.97Å; F216-F218 VanDerWaalsContact C-N 3.31Å; F216-F218 PolarHBondContact O-N 3.46Å; F218-T220 VanDerWaalsContact C-N 3.31Å; F218-T220 PolarHBondContact O-N 3.02Å; F218-L221 PolarHBondContact O-N 3.35Å; F218-C222 WeakPolarHBondContact CZ-SG 3.29Å; F218-C222 PolarHBondContact O-N 3.28Å; F218-C222 PolarHBondContact O-SG 2.93Å
219F97.4Very high96.6Very high14 Ų1431.2 Ų31.26%0.06115%0.149CC..Hα-helixtrans-56.3-47.7174.1168.9-91.8000111M20 I24 F118 A215 F216 L221 C222 F223M20-F219 HydrophobicContact CB-CD2 3.87Å; M20-F219 HydrophobicContact CB-CE2 3.89Å; M20-F219 HydrophobicContact CE-CE2 4.09Å; I24-F219 HydrophobicContact CD1-CD2 4.25Å; I24-F219 HydrophobicContact CD1-CE2 3.57Å; I24-F219 HydrophobicContact CD1-CZ 4.19Å; F118-F219 HydrophobicContact CD2-CE1 4.25Å; F118-F219 HydrophobicContact CD2-CE2 4.5Å; F118-F219 HydrophobicContact CD2-CZ 4.04Å; F118-F219 HydrophobicContact CE1-CD1 4.41Å; F118-F219 AromaticContact CE1-CE1 3.91Å; F118-F219 HydrophobicContact CE1-CE1 3.91Å; F118-F219 AromaticContact CE2-CD1 3.66Å; F118-F219 HydrophobicContact CE2-CD1 3.66Å; F118-F219 HydrophobicContact CE2-CD2 4.16Å; F118-F219 AromaticContact CE2-CE1 3.34Å; F118-F219 HydrophobicContact CE2-CE1 3.34Å; F118-F219 AromaticContact CE2-CE2 3.87Å; F118-F219 HydrophobicContact CE2-CE2 3.87Å; F118-F219 HydrophobicContact CE2-CG 4.07Å; F118-F219 AromaticContact CE2-CZ 3.45Å; F118-F219 HydrophobicContact CE2-CZ 3.45Å; F118-F219 VanDerWaalsContact CE2-CZ 3.45Å; F118-F219 AromaticContact CZ-CD1 3.38Å; F118-F219 HydrophobicContact CZ-CD1 3.38Å; F118-F219 AromaticContact CZ-CE1 3.16Å; F118-F219 HydrophobicContact CZ-CE1 3.16Å; F118-F219 HydrophobicContact CZ-CG 4.18Å; F118-F219 AromaticContact CZ-CZ 3.79Å; F118-F219 HydrophobicContact CZ-CZ 3.79Å; A215-F219 WeakPolarHBondContact O-CB 3.49Å; A215-F219 PolarHBondContact O-N 2.97Å; F216-F219 HydrophobicContact CD2-CD1 4.3Å; F216-F219 HydrophobicContact CE2-CD1 4.4Å; F216-F219 WeakPolarHBondContact O-CB 3.39Å; F216-F219 PolarHBondContact O-N 3.5Å; F219-L221 PolarHBondContact O-N 2.87Å; F219-C222 PolarHBondContact O-N 2.91Å; F219-F223 HydrophobicContact CE1-CB 4.26Å; F219-F223 HydrophobicContact CE1-CG 4.5Å; F219-F223 HydrophobicContact CZ-CB 4.22Å; F219-F223 HydrophobicContact CZ-CG 4.3Å; F219-F223 WeakPolarHBondContact O-CB 3.17Å; F219-F223 PolarHBondContact O-N 3.18Å
220T97.2Very high96.4Very high6 Ų627.5 Ų27.54%0.03714%0.136CC..Hα-helixtrans-62.8-42.8-179.6-63.20000111.7I198 F216 A217 F218 C222 F223 L224I198-T220 HydrophobicContact CG1-CG2 4.22Å; F216-T220 WeakPolarHBondContact CE2-OG1 3.29Å; F216-T220 WeakPolarHBondContact O-CB 3.46Å; F216-T220 PolarHBondContact O-N 2.98Å; F216-T220 PolarHBondContact O-OG1 2.7Å; F216-T220 VanDerWaalsContact O-OG1 3.1Å; A217-T220 PolarHBondContact O-N 3.14Å; F218-T220 VanDerWaalsContact C-N 3.31Å; F218-T220 PolarHBondContact O-N 3.02Å; T220-C222 PolarHBondContact O-N 3.37Å; T220-F223 PolarHBondContact O-N 3.38Å; T220-L224 HydrophobicContact CG2-CD1 3.46Å; T220-L224 VanDerWaalsContact CG2-CD1 3.46Å; T220-L224 HydrophobicContact CG2-CG 3.9Å; T220-L224 VanDerWaalsContact O-CB 3.25Å; T220-L224 WeakPolarHBondContact O-CB 3.22Å; T220-L224 WeakPolarHBondContact O-CG 3.27Å; T220-L224 PolarHBondContact O-N 3.4Å
221L97.1Very high96.2Very high70 Ų7028.8 Ų28.837%0.36614%0.142SC..Hα-helixtrans-57.2-49172.7172.862000111.7I198 A217 F218 F219 G225I198-L221 HydrophobicContact CD1-CD1 3.98Å; I198-L221 HydrophobicContact CG2-CB 4.49Å; I198-L221 HydrophobicContact CG2-CD1 4.06Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 3.03Å; F218-L221 PolarHBondContact O-N 3.35Å; F219-L221 PolarHBondContact O-N 2.87Å; L221-G225 VanDerWaalsContact O-CA 3.23Å; L221-G225 WeakPolarHBondContact O-CA 3.41Å; L221-G225 PolarHBondContact O-N 3.43Å
222C96.1Very high96.2Very high5 Ų526.4 Ų26.43%0.03413%0.125CC..Hα-helixtrans-62.7-49-179.7-66.10000111.6G21 L25 F218 F219 T220 M226G21-C222 VanDerWaalsContact O-CB 3.31Å; G21-C222 WeakPolarHBondContact O-CB 3.32Å; L25-C222 HydrophobicContact CD1-CB 4.24Å; L25-C222 VanDerWaalsContact CD1-SG 3.53Å; L25-C222 HydrophobicContact CD2-CB 4.21Å; L25-C222 HydrophobicContact CG-CB 3.94Å; F218-C222 WeakPolarHBondContact CZ-SG 3.29Å; F218-C222 PolarHBondContact O-N 3.28Å; F218-C222 PolarHBondContact O-SG 2.93Å; F219-C222 PolarHBondContact O-N 2.91Å; T220-C222 PolarHBondContact O-N 3.37Å; C222-M226 WeakPolarHBondContact O-CB 3.42Å; C222-M226 PolarHBondContact O-N 3.49Å; C222-M226 VanDerWaalsContact O-N 3.11Å
223F94.7Very high96Very high53 Ų5333.2 Ų33.223%0.23215%0.151CC..Hα-helixtrans-69-54.2-175.9-176.7-119000112.3I24 A31 Y33 F219 T220 M226 Q227I24-F223 HydrophobicContact CD1-CB 3.96Å; I24-F223 HydrophobicContact CD1-CD2 3.68Å; I24-F223 HydrophobicContact CD1-CG 4.23Å; I24-F223 HydrophobicContact CG1-CD2 4.46Å; A31-F223 HydrophobicContact CB-CE2 3.87Å; A31-F223 HydrophobicContact CB-CZ 4.1Å; Y33-F223 HydrophobicContact CE1-CZ 4.04Å; F219-F223 HydrophobicContact CE1-CB 4.26Å; F219-F223 HydrophobicContact CE1-CG 4.5Å; F219-F223 HydrophobicContact CZ-CB 4.22Å; F219-F223 HydrophobicContact CZ-CG 4.3Å; F219-F223 WeakPolarHBondContact O-CB 3.17Å; F219-F223 PolarHBondContact O-N 3.18Å; T220-F223 PolarHBondContact O-N 3.38Å; F223-M226 PolarHBondContact O-N 3.2Å; F223-Q227 WeakPolarHBondContact O-CG 3.3Å; F223-Q227 PolarHBondContact O-N 3Å; F223-Q227 VanDerWaalsContact O-N 3.08Å
224L95.6Very high95.8Very high10 Ų1034.7 Ų34.75%0.05216%0.157CC..Hα-helixtrans-74.5-31.4-178-61.5-172.6000111.9F194 E197 I198 T220 Q227 A228F194-L224 HydrophobicContact CB-CB 4.07Å; F194-L224 HydrophobicContact CB-CD1 4.48Å; F194-L224 HydrophobicContact CD1-CB 4.43Å; F194-L224 HydrophobicContact CD1-CD1 4.27Å; F194-L224 HydrophobicContact CD1-CD2 3.92Å; F194-L224 HydrophobicContact CD1-CG 4.45Å; F194-L224 HydrophobicContact CE1-CD2 4.09Å; F194-L224 HydrophobicContact CG-CB 4.25Å; E197-L224 HydrophobicContact CB-CD1 3.77Å; E197-L224 HydrophobicContact CG-CD1 3.95Å; I198-L224 HydrophobicContact CD1-CB 4.14Å; I198-L224 HydrophobicContact CG1-CB 4.36Å; T220-L224 HydrophobicContact CG2-CD1 3.46Å; T220-L224 VanDerWaalsContact CG2-CD1 3.46Å; T220-L224 HydrophobicContact CG2-CG 3.9Å; T220-L224 VanDerWaalsContact O-CB 3.25Å; T220-L224 WeakPolarHBondContact O-CB 3.22Å; T220-L224 WeakPolarHBondContact O-CG 3.27Å; T220-L224 PolarHBondContact O-N 3.4Å; L224-Q227 PolarHBondContact O-N 3.11Å; L224-A228 WeakPolarHBondContact O-CB 3.34Å; L224-A228 PolarHBondContact O-N 3.17Å
225G95.5Very high95.7Very high9 Ų931.1 Ų31.19%0.09314%0.141CC..Hα-helixtrans-62.7-43.8172.700000112.2L221 Q227 A228 F229L221-G225 VanDerWaalsContact O-CA 3.23Å; L221-G225 WeakPolarHBondContact O-CA 3.41Å; L221-G225 PolarHBondContact O-N 3.43Å; G225-Q227 PolarHBondContact O-N 3.44Å; G225-A228 PolarHBondContact O-N 3.21Å; G225-F229 PolarHBondContact O-N 2.91Å; G225-F229 VanDerWaalsContact O-N 3.07Å
226M93.8Very high95.5Very high20 Ų2034.4 Ų34.410%0.09916%0.157CC..Hα-helixtrans-61.6-44.8172-177167.1-62.800111.6I24 L25 K29 C222 F223 A228 F229 Y230I24-M226 HydrophobicContact CG2-CB 4.25Å; I24-M226 HydrophobicContact CG2-CE 3.88Å; I24-M226 HydrophobicContact CG2-SD 3.72Å; I24-M226 WeakPolarHBondContact O-CE 3.45Å; L25-M226 HydrophobicContact CD2-CE 4.21Å; K29-M226 VanDerWaalsContact O-SD 3.36Å; C222-M226 WeakPolarHBondContact O-CB 3.42Å; C222-M226 PolarHBondContact O-N 3.49Å; C222-M226 VanDerWaalsContact O-N 3.11Å; F223-M226 PolarHBondContact O-N 3.2Å; M226-A228 VanDerWaalsContact C-N 3.35Å; M226-A228 PolarHBondContact O-N 3.39Å; M226-F229 WeakPolarHBondContact O-CB 3.36Å; M226-F229 PolarHBondContact O-N 2.85Å; M226-Y230 HydrophobicContact CG-CD2 3.78Å; M226-Y230 HydrophobicContact CG-CE2 3.68Å; M226-Y230 VanDerWaalsContact O-CD2 3.26Å; M226-Y230 WeakPolarHBondContact O-CD2 3.42Å; M226-Y230 PolarHBondContact O-N 3.18Å; M226-Y230 VanDerWaalsContact O-N 3.1Å; M226-Y230 HydrophobicContact SD-CE2 4.19Å
227Q92.7Very high95.3Very high5 Ų542.7 Ų42.72%0.02319%0.193CC..Hα-helixtrans-62.5-40.5177.6-74.1-168.857.700113.3Y33 F194 F223 L224 G225 F229 Y230 H231Y33-Q227 VanDerWaalsContact CZ-OE1 3.28Å; Y33-Q227 VanDerWaalsContact OH-CD 3.25Å; Y33-Q227 PolarHBondContact OH-NE2 3.31Å; Y33-Q227 PolarHBondContact OH-OE1 2.92Å; F194-Q227 HydrophobicContact CD2-CB 4.42Å; F194-Q227 HydrophobicContact CE2-CB 3.76Å; F194-Q227 HydrophobicContact CZ-CB 4.09Å; F223-Q227 WeakPolarHBondContact O-CG 3.3Å; F223-Q227 PolarHBondContact O-N 3Å; F223-Q227 VanDerWaalsContact O-N 3.08Å; L224-Q227 PolarHBondContact O-N 3.11Å; G225-Q227 PolarHBondContact O-N 3.44Å; Q227-F229 VanDerWaalsContact C-N 3.32Å; Q227-F229 PolarHBondContact O-N 2.99Å; Q227-Y230 PolarHBondContact O-N 2.94Å; Q227-H231 VanDerWaalsContact O-CB 3.29Å; Q227-H231 WeakPolarHBondContact O-CB 3.23Å; Q227-H231 PolarHBondContact O-CD2 3.39Å; Q227-H231 PolarHBondContact O-N 3.32Å
228A95Very high95.1Very high0 Ų047.9 Ų47.90%022%0.218CC..Hα-helixtrans-59.4-44.4176.200000111.1F194 L224 G225 M226 H231 H232 L249F194-A228 HydrophobicContact CD2-CB 3.88Å; L224-A228 WeakPolarHBondContact O-CB 3.34Å; L224-A228 PolarHBondContact O-N 3.17Å; G225-A228 PolarHBondContact O-N 3.21Å; M226-A228 VanDerWaalsContact C-N 3.35Å; M226-A228 PolarHBondContact O-N 3.39Å; A228-H231 PolarHBondContact O-N 3.48Å; A228-H232 WeakPolarHBondContact O-CB 3.45Å; A228-H232 PolarHBondContact O-N 3.32Å; A228-L249 HydrophobicContact CB-CB 3.89Å; A228-L249 HydrophobicContact CB-CD1 3.88Å; A228-L249 HydrophobicContact CB-CG 4.39Å
229F95.1Very high94.9Very high70 Ų7046.6 Ų46.631%0.30721%0.213SC..Hα-helixtrans-58.4-51.7175.9176.5-106.8000112.3G225 M226 Q227 H231 H232 R233 F254G225-F229 PolarHBondContact O-N 2.91Å; G225-F229 VanDerWaalsContact O-N 3.07Å; M226-F229 WeakPolarHBondContact O-CB 3.36Å; M226-F229 PolarHBondContact O-N 2.85Å; Q227-F229 VanDerWaalsContact C-N 3.32Å; Q227-F229 PolarHBondContact O-N 2.99Å; F229-H231 VanDerWaalsContact C-N 3.35Å; F229-H231 PolarHBondContact O-N 2.98Å; F229-H232 WeakPolarHBondContact O-CB 2.85Å; F229-H232 PolarHBondContact O-N 3.04Å; F229-R233 HydrophobicContact CE1-CG 4.44Å; F229-R233 HydrophobicContact CE2-CG 4.47Å; F229-R233 HydrophobicContact CZ-CG 4.3Å; F229-R233 PolarHBondContact O-N 3.25Å; F229-F254 HydrophobicContact CB-CZ 3.88Å; F229-F254 AromaticContact CD2-CE2 3.79Å; F229-F254 HydrophobicContact CD2-CE2 3.79Å; F229-F254 AromaticContact CD2-CZ 3.76Å; F229-F254 HydrophobicContact CD2-CZ 3.76Å; F229-F254 HydrophobicContact CE2-CE2 4.41Å; F229-F254 HydrophobicContact CG-CZ 4.16Å
230Y93.7Very high94.7Very high52 Ų5255.6 Ų55.620%0.20425%0.252CS..Hα-helixtrans-68.1-34.2178.7-76.7-79.3000112.6G28 P30 H36 M226 Q227 H232 R233 F234G28-Y230 PolarHBondContact O-OH 3.21Å; P30-Y230 HydrophobicContact CB-CD2 3.74Å; P30-Y230 HydrophobicContact CB-CE2 4.39Å; P30-Y230 HydrophobicContact CB-CG 3.87Å; P30-Y230 HydrophobicContact CG-CD1 4.01Å; P30-Y230 HydrophobicContact CG-CD2 4Å; P30-Y230 HydrophobicContact CG-CE1 4.37Å; P30-Y230 HydrophobicContact CG-CE2 4.4Å; P30-Y230 HydrophobicContact CG-CG 3.84Å; H36-Y230 WeakPolarHBondContact CE1-CB 3.3Å; M226-Y230 HydrophobicContact CG-CD2 3.78Å; M226-Y230 HydrophobicContact CG-CE2 3.68Å; M226-Y230 VanDerWaalsContact O-CD2 3.26Å; M226-Y230 WeakPolarHBondContact O-CD2 3.42Å; M226-Y230 PolarHBondContact O-N 3.18Å; M226-Y230 VanDerWaalsContact O-N 3.1Å; M226-Y230 HydrophobicContact SD-CE2 4.19Å; Q227-Y230 PolarHBondContact O-N 2.94Å; Y230-H232 VanDerWaalsContact C-N 3.34Å; Y230-H232 PolarHBondContact O-N 3Å; Y230-R233 PolarHBondContact O-N 3.42Å; Y230-F234 WeakPolarHBondContact O-CB 3.34Å; Y230-F234 PolarHBondContact O-N 3.25Å
231H93.2Very high94.6Very high29 Ų2962.3 Ų62.313%0.13429%0.288CS..Hα-helixtrans-60.7-43.1171.8-83.9-165.2000112.1H36 F194 Q227 A228 F229 F234 Y235H36-H231 AromaticContact CE1-CD2 3.63Å; F194-H231 AromaticContact CE2-CE1 3.64Å; F194-H231 AromaticContact CE2-ND1 3.38Å; F194-H231 WeakPolarHBondContact CE2-ND1 3.47Å; F194-H231 AromaticContact CZ-CE1 3.6Å; F194-H231 AromaticContact CZ-ND1 3.82Å; Q227-H231 VanDerWaalsContact O-CB 3.29Å; Q227-H231 WeakPolarHBondContact O-CB 3.23Å; Q227-H231 PolarHBondContact O-CD2 3.39Å; Q227-H231 PolarHBondContact O-N 3.32Å; A228-H231 PolarHBondContact O-N 3.48Å; F229-H231 VanDerWaalsContact C-N 3.35Å; F229-H231 PolarHBondContact O-N 2.98Å; H231-F234 PolarHBondContact O-N 3.18Å; H231-Y235 WeakPolarHBondContact O-CD2 3.41Å; H231-Y235 PolarHBondContact O-N 3.01Å
232H96Very high94.6Very high29 Ų2959.3 Ų59.313%0.13427%0.271CS..Hα-helixtrans-63-47.8176.4-173.856.5000111.2S190 A228 F229 Y230 F234 Y235 L236 Y242 R246 A248S190-H232 PolarHBondContact OG-ND1 2.99Å; A228-H232 WeakPolarHBondContact O-CB 3.45Å; A228-H232 PolarHBondContact O-N 3.32Å; F229-H232 WeakPolarHBondContact O-CB 2.85Å; F229-H232 PolarHBondContact O-N 3.04Å; Y230-H232 VanDerWaalsContact C-N 3.34Å; Y230-H232 PolarHBondContact O-N 3Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.32Å; H232-Y235 PolarHBondContact O-N 3.38Å; H232-Y235 VanDerWaalsContact O-N 3.14Å; H232-L236 WeakPolarHBondContact O-CG 3.36Å; H232-L236 PolarHBondContact O-N 3.37Å; H232-Y242 AromaticContact CE1-CE1 3.89Å; H232-Y242 AromaticContact ND1-CE1 3.82Å; H232-R246 PolarHBondContact CE1-O 2.86Å; H232-A248 HydrophobicContact CB-CB 3.7Å
233R94.5Very high94.6Very high142 Ų14261.3 Ų61.354%0.53628%0.284SS..Hα-helixtrans-58.7-42.1175.1-71.4-171.870178.14.6112.5F229 Y230 Y235 L236 K237F229-R233 HydrophobicContact CE1-CG 4.44Å; F229-R233 HydrophobicContact CE2-CG 4.47Å; F229-R233 HydrophobicContact CZ-CG 4.3Å; F229-R233 PolarHBondContact O-N 3.25Å; Y230-R233 PolarHBondContact O-N 3.42Å; R233-Y235 VanDerWaalsContact C-N 3.35Å; R233-L236 PolarHBondContact O-N 3.3Å; R233-K237 WeakPolarHBondContact O-CB 3.33Å; R233-K237 PolarHBondContact O-N 2.74Å
234F93.8Very high94.5Very high32 Ų3267.3 Ų67.314%0.1431%0.31CS..Hα-helixtrans-58.9-47.1175.3173.5-86.9000111.1K35 Y178 Y230 H231 H232 K237 M238 F239K35-F234 HydrophobicContact CB-CD2 4.17Å; K35-F234 HydrophobicContact CB-CE2 4.24Å; K35-F234 HydrophobicContact CB-CG 4.4Å; K35-F234 HydrophobicContact CD-CB 4.38Å; K35-F234 HydrophobicContact CD-CD1 3.57Å; K35-F234 HydrophobicContact CD-CD2 4.41Å; K35-F234 HydrophobicContact CD-CE1 3.85Å; K35-F234 HydrophobicContact CD-CG 3.87Å; K35-F234 HydrophobicContact CD-CZ 4.38Å; K35-F234 HydrophobicContact CG-CD1 4.22Å; K35-F234 HydrophobicContact CG-CD2 4.46Å; K35-F234 HydrophobicContact CG-CE1 4.1Å; K35-F234 HydrophobicContact CG-CE2 4.35Å; K35-F234 HydrophobicContact CG-CG 4.39Å; K35-F234 HydrophobicContact CG-CZ 4.16Å; Y178-F234 HydrophobicContact CD1-CE1 4.43Å; Y178-F234 HydrophobicContact CD2-CE1 4.38Å; Y178-F234 AromaticContact CD2-CZ 3.9Å; Y178-F234 HydrophobicContact CD2-CZ 3.9Å; Y178-F234 HydrophobicContact CE2-CZ 4.37Å; Y178-F234 HydrophobicContact CG-CE1 4.08Å; Y178-F234 HydrophobicContact CG-CZ 4.08Å; Y230-F234 WeakPolarHBondContact O-CB 3.34Å; Y230-F234 PolarHBondContact O-N 3.25Å; H231-F234 PolarHBondContact O-N 3.18Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.32Å; F234-K237 PolarHBondContact O-N 2.88Å; F234-M238 HydrophobicContact CD1-CG 4.21Å; F234-M238 HydrophobicContact CD2-CE 4.25Å; F234-M238 HydrophobicContact CD2-CG 3.96Å; F234-M238 HydrophobicContact CE1-CB 4.3Å; F234-M238 HydrophobicContact CE1-CG 3.96Å; F234-M238 HydrophobicContact CE2-CE 3.82Å; F234-M238 HydrophobicContact CE2-CG 3.69Å; F234-M238 HydrophobicContact CE2-SD 4.42Å; F234-M238 HydrophobicContact CG-CG 4.22Å; F234-M238 HydrophobicContact CZ-CB 4.42Å; F234-M238 HydrophobicContact CZ-CG 3.69Å; F234-M238 VanDerWaalsContact O-CB 3.3Å; F234-M238 WeakPolarHBondContact O-CB 3.24Å; F234-M238 VanDerWaalsContact O-CG 3.24Å; F234-M238 WeakPolarHBondContact O-CG 3.3Å; F234-M238 PolarHBondContact O-N 3.4Å; F234-F239 HydrophobicContact CE1-CE2 4.41Å
235Y94.9Very high94.5Very high10 Ų1071.5 Ų71.54%0.03934%0.34CS..Hα-helixtrans-64.8-44.3-179.3-74.9-53.1000112.7K35 P181 H231 H232 R233 K237 M238 F239 Y242K35-Y235 PolarHBondContact NZ-OH 2.92Å; P181-Y235 HydrophobicContact CG-CE2 4.4Å; H231-Y235 WeakPolarHBondContact O-CD2 3.41Å; H231-Y235 PolarHBondContact O-N 3.01Å; H232-Y235 PolarHBondContact O-N 3.38Å; H232-Y235 VanDerWaalsContact O-N 3.14Å; R233-Y235 VanDerWaalsContact C-N 3.35Å; Y235-K237 VanDerWaalsContact C-N 3.27Å; Y235-K237 PolarHBondContact O-N 2.94Å; Y235-M238 PolarHBondContact O-N 3.3Å; Y235-F239 AromaticContact CD1-CD2 3.83Å; Y235-F239 HydrophobicContact CD1-CD2 3.83Å; Y235-F239 AromaticContact CD1-CE2 3.71Å; Y235-F239 HydrophobicContact CD1-CE2 3.71Å; Y235-F239 HydrophobicContact CE1-CE2 4.12Å; Y235-F239 PolarHBondContact O-N 3.05Å; Y235-Y242 VanDerWaalsContact CB-CE2 3.5Å; Y235-Y242 HydrophobicContact CD1-CE2 4.35Å; Y235-Y242 HydrophobicContact CD2-CE2 4.07Å; Y235-Y242 HydrophobicContact CG-CD2 4.19Å; Y235-Y242 AromaticContact CG-CE2 3.76Å; Y235-Y242 HydrophobicContact CG-CE2 3.76Å
236L95Very high94.6Very high80 Ų8071.6 Ų71.642%0.41934%0.338SS..Hα-helixtrans-59.9-36.2175.3-72.9170.2000112.7H232 R233 Y242H232-L236 WeakPolarHBondContact O-CG 3.36Å; H232-L236 PolarHBondContact O-N 3.37Å; R233-L236 PolarHBondContact O-N 3.3Å; L236-Y242 HydrophobicContact CD2-CD1 3.8Å; L236-Y242 HydrophobicContact CD2-CE1 4.4Å; L236-Y242 HydrophobicContact CG-CD1 4.23Å
237K94.4Very high94.8Very high180 Ų18074.3 Ų74.378%0.78335%0.349SS*.Hα-helixtrans-77.6-38.8179.5-173.7176.2179.4-179.70112.7R233 F234 Y235R233-K237 WeakPolarHBondContact O-CB 3.33Å; R233-K237 PolarHBondContact O-N 2.74Å; F234-K237 PolarHBondContact O-N 2.88Å; Y235-K237 VanDerWaalsContact C-N 3.27Å; Y235-K237 PolarHBondContact O-N 2.94Å
238M92.5Very high95Very high110 Ų11074.1 Ų74.154%0.54235%0.348SS..Hα-helixtrans-88.6-29.3-170.4-68.7-67.7177.300113.8F234 Y235F234-M238 HydrophobicContact CD1-CG 4.21Å; F234-M238 HydrophobicContact CD2-CE 4.25Å; F234-M238 HydrophobicContact CD2-CG 3.96Å; F234-M238 HydrophobicContact CE1-CB 4.3Å; F234-M238 HydrophobicContact CE1-CG 3.96Å; F234-M238 HydrophobicContact CE2-CE 3.82Å; F234-M238 HydrophobicContact CE2-CG 3.69Å; F234-M238 HydrophobicContact CE2-SD 4.42Å; F234-M238 HydrophobicContact CG-CG 4.22Å; F234-M238 HydrophobicContact CZ-CB 4.42Å; F234-M238 HydrophobicContact CZ-CG 3.69Å; F234-M238 VanDerWaalsContact O-CB 3.3Å; F234-M238 WeakPolarHBondContact O-CB 3.24Å; F234-M238 VanDerWaalsContact O-CG 3.24Å; F234-M238 WeakPolarHBondContact O-CG 3.3Å; F234-M238 PolarHBondContact O-N 3.4Å; Y235-M238 PolarHBondContact O-N 3.3Å
239F94.5Very high95.1Very high52 Ų5274.4 Ų74.423%0.22835%0.35CS..  trans-120.9113.6-175.7-59.1-83.8000110.8Y178 I180 F234 Y235 D241 Y242Y178-F239 WeakPolarHBondContact O-CZ 3.47Å; I180-F239 HydrophobicContact CD1-CB 3.77Å; I180-F239 HydrophobicContact CD1-CD1 4.05Å; I180-F239 HydrophobicContact CD1-CG 3.92Å; I180-F239 HydrophobicContact CG1-CB 4.05Å; I180-F239 HydrophobicContact CG1-CD1 3.88Å; I180-F239 HydrophobicContact CG1-CD2 4.01Å; I180-F239 HydrophobicContact CG1-CE1 4.35Å; I180-F239 HydrophobicContact CG1-CE2 4.47Å; I180-F239 HydrophobicContact CG1-CG 3.7Å; F234-F239 HydrophobicContact CE1-CE2 4.41Å; Y235-F239 AromaticContact CD1-CD2 3.83Å; Y235-F239 HydrophobicContact CD1-CD2 3.83Å; Y235-F239 AromaticContact CD1-CE2 3.71Å; Y235-F239 HydrophobicContact CD1-CE2 3.71Å; Y235-F239 HydrophobicContact CE1-CE2 4.12Å; Y235-F239 PolarHBondContact O-N 3.05Å; F239-D241 PolarHBondContact O-N 3.31Å; F239-Y242 WeakPolarHBondContact O-CB 3.41Å; F239-Y242 PolarHBondContact O-N 3.3Å
240K93.9Very high95.1Very high203 Ų20374.4 Ų74.488%0.88335%0.352SS*.THydrogen-bonded Turntrans-60.2-34.7176-66.6-175.6178.9-179.40112.1Y242K240-Y242 VanDerWaalsContact C-N 3.3Å; K240-Y242 PolarHBondContact O-N 2.95Å
241D95.1Very high95.2Very high148 Ų14873.8 Ų73.879%0.79136%0.355SS*.THydrogen-bonded Turntrans-90.515.9-178.4-51.7-37.3000113.3F239F239-D241 PolarHBondContact O-N 3.31Å
242Y96.2Very high95.3Very high7 Ų779.9 Ų79.93%0.02738%0.381CS..  trans-67.3130.4177.3-170.7-101.7000111.2I180 S190 H232 Y235 L236 F239 K240 K244 R246I180-Y242 HydrophobicContact CD1-CD2 4.42Å; I180-Y242 HydrophobicContact CG1-CD2 4.17Å; I180-Y242 HydrophobicContact CG2-CD2 3.96Å; I180-Y242 HydrophobicContact CG2-CE2 4.09Å; S190-Y242 PolarHBondContact OG-OH 3.13Å; H232-Y242 AromaticContact CE1-CE1 3.89Å; H232-Y242 AromaticContact ND1-CE1 3.82Å; Y235-Y242 VanDerWaalsContact CB-CE2 3.5Å; Y235-Y242 HydrophobicContact CD1-CE2 4.35Å; Y235-Y242 HydrophobicContact CD2-CE2 4.07Å; Y235-Y242 HydrophobicContact CG-CD2 4.19Å; Y235-Y242 AromaticContact CG-CE2 3.76Å; Y235-Y242 HydrophobicContact CG-CE2 3.76Å; L236-Y242 HydrophobicContact CD2-CD1 3.8Å; L236-Y242 HydrophobicContact CD2-CE1 4.4Å; L236-Y242 HydrophobicContact CG-CD1 4.23Å; F239-Y242 WeakPolarHBondContact O-CB 3.41Å; F239-Y242 PolarHBondContact O-N 3.3Å; K240-Y242 VanDerWaalsContact C-N 3.3Å; K240-Y242 PolarHBondContact O-N 2.95Å; Y242-K244 PolarHBondContact O-N 3.33Å; Y242-R246 HydrophobicContact CE1-CB 4.15Å; Y242-R246 WeakPolarHBondContact OH-CD 3.44Å
243P95.8Very high95.4Very high46 Ų4684.6 Ų84.630%0.29941%0.406SS..  trans-62.4111.4-179-25.336000112.6S245 R246P243-S245 PolarHBondContact O-N 3.13Å; P243-R246 HydrophobicContact CB-CG 4.1Å; P243-R246 WeakPolarHBondContact O-CB 3.39Å; P243-R246 PolarHBondContact O-N 2.91Å
244K94Very high95.4Very high180 Ų18082.3 Ų82.378%0.78340%0.4SS*.THydrogen-bonded Turntrans-69.5-14.9-177.3-63.3-179.8-177.8175.90114.2Y242 R246Y242-K244 PolarHBondContact O-N 3.33Å; K244-R246 VanDerWaalsContact C-N 3.27Å
245S95.6Very high95.4Very high97 Ų9784.8 Ų84.868%0.67841%0.413SS*.THydrogen-bonded Turntrans-72.3-21.7173.953.50000112.9P243P243-S245 PolarHBondContact O-N 3.13Å
246R97.1Very high95.5Very high11 Ų1188.7 Ų88.74%0.04243%0.433CS..  trans-67.5147.6179.9-70.1174-173.1-159.74.6111.2P181 F186 T187 Y188 H232 Y242 P243 K244P181-R246 VanDerWaalsContact O-CZ 3.32Å; P181-R246 PolarHBondContact O-NH1 3.39Å; P181-R246 PolarHBondContact O-NH2 3.47Å; F186-R246 VanDerWaalsContact O-CD 3.3Å; F186-R246 WeakPolarHBondContact O-CD 3.33Å; F186-R246 PolarHBondContact O-NE 3.49Å; F186-R246 PolarHBondContact O-NH1 3.43Å; F186-R246 PolarHBondContact O-NH2 3.38Å; T187-R246 VanDerWaalsContact O-CG 3.3Å; T187-R246 WeakPolarHBondContact O-CG 3.49Å; Y188-R246 CarbonylContact O-C 3.56Å; Y188-R246 VanDerWaalsContact O-CA 3.31Å; Y188-R246 WeakPolarHBondContact O-CA 3.35Å; H232-R246 PolarHBondContact CE1-O 2.86Å; Y242-R246 HydrophobicContact CE1-CB 4.15Å; Y242-R246 WeakPolarHBondContact OH-CD 3.44Å; P243-R246 HydrophobicContact CB-CG 4.1Å; P243-R246 WeakPolarHBondContact O-CB 3.39Å; P243-R246 PolarHBondContact O-N 2.91Å; K244-R246 VanDerWaalsContact C-N 3.27Å
247K97.7Very high95.5Very high77 Ų7789.2 Ų89.234%0.33543%0.433SS..BIsolated β-bridgetrans-102.5173.9171.1-62.1-55.4-178.1178.60110.7Y188 V189 S190 F254Y188-K247 PolarHBondContact O-N 3.16Å; V189-K247 CarbonylContact C-O 3.6Å; V189-K247 VanDerWaalsContact CA-O 3.26Å; V189-K247 WeakPolarHBondContact CA-O 3.34Å; V189-K247 HydrophobicContact CG1-CB 4.35Å; S190-K247 PolarHBondContact N-O 3.33Å; S190-K247 PolarHBondContact OG-O 2.82Å; K247-F254 CarbonylContact C-O 3.28Å; K247-F254 WeakPolarHBondContact CB-O 3.25Å
248A96.6Very high95.6Very high1 Ų183.9 Ų83.91%0.00841%0.413CS..SBendtrans-74-51.2178.400000111.7S190 G191 H232 F254S190-A248 PolarHBondContact N-O 3.14Å; G191-A248 PolarHBondContact N-O 3.22Å; H232-A248 HydrophobicContact CB-CB 3.7Å; A248-F254 WeakPolarHBondContact CA-O 3.44Å; A248-F254 HydrophobicContact CB-CE1 4.46Å; A248-F254 VanDerWaalsContact CB-O 3.25Å; A248-F254 WeakPolarHBondContact CB-O 3.15Å; A248-F254 PolarHBondContact N-O 3.02Å; A248-F254 PolarHBondContact N-OXT 2.62Å
249L97Very high95.8Very high6 Ų682.3 Ų82.33%0.03141%0.405CS..SBendtrans-139.7-53.2-168.7-175.471000114.7V189 F194 L195 I198 A228 F254V189-L249 VanDerWaalsContact CG1-O 3.32Å; V189-L249 WeakPolarHBondContact CG1-O 3.36Å; F194-L249 HydrophobicContact CB-CD1 3.95Å; L195-L249 HydrophobicContact CB-CD1 3.99Å; L195-L249 WeakPolarHBondContact CD2-O 3.09Å; I198-L249 HydrophobicContact CD1-CD1 3.97Å; I198-L249 HydrophobicContact CD1-CD2 3.57Å; I198-L249 HydrophobicContact CD1-CG 4.33Å; A228-L249 HydrophobicContact CB-CB 3.89Å; A228-L249 HydrophobicContact CB-CD1 3.88Å; A228-L249 HydrophobicContact CB-CG 4.39Å; L249-F254 WeakPolarHBondContact CA-OXT 3.43Å; L249-F254 HydrophobicContact CB-CD1 4.16Å; L249-F254 HydrophobicContact CB-CE1 4.49Å; L249-F254 PolarHBondContact N-OXT 2.96Å
250I96Very high95.8Very high71 Ų7184.3 Ų84.336%0.36442%0.416SS..SBendtrans-96.7117.8-177.2-54.7177.6000108.5F252 I253 F254I250-F252 PolarHBondContact O-N 3.45Å; I250-I253 HydrophobicContact CB-CB 4.16Å; I250-I253 HydrophobicContact CG2-CB 3.86Å; I250-I253 HydrophobicContact CG2-CD1 3.81Å; I250-I253 HydrophobicContact CG2-CG1 4.24Å; I250-I253 PolarHBondContact O-N 3.35Å; I250-I253 VanDerWaalsContact O-N 3.11Å; I250-F254 HydrophobicContact CB-CB 4.45Å; I250-F254 PolarHBondContact N-OXT 3.05Å; I250-F254 PolarHBondContact O-N 3.25Å; I250-F254 VanDerWaalsContact O-N 3.12Å
251P95.6Very high96Very high39 Ų3975.8 Ų75.825%0.25338%0.383SS..THydrogen-bonded Turntrans-50.8132.1-179.7-27.335.1000111.7V189 L195 I253V189-P251 HydrophobicContact CG1-CB 4.3Å; V189-P251 HydrophobicContact CG1-CG 3.83Å; L195-P251 HydrophobicContact CD2-CG 4.18Å; P251-I253 PolarHBondContact O-N 3.32Å
252F96.3Very high96.1Very high157 Ų15770.2 Ų70.269%0.68935%0.352SS*.THydrogen-bonded Turntrans65.6-8.5178.4-40.6-71.8000116.6Y188 I250Y188-F252 AromaticContact CD1-CE1 3.9Å; Y188-F252 HydrophobicContact CD1-CE1 3.9Å; Y188-F252 HydrophobicContact CD1-CE2 4.45Å; Y188-F252 AromaticContact CD1-CZ 3.56Å; Y188-F252 HydrophobicContact CD1-CZ 3.56Å; Y188-F252 HydrophobicContact CE1-CE1 4.25Å; Y188-F252 AromaticContact CE1-CZ 3.75Å; Y188-F252 HydrophobicContact CE1-CZ 3.75Å; Y188-F252 HydrophobicContact CG-CZ 4.5Å; I250-F252 PolarHBondContact O-N 3.45Å
253I96.9Very high96Very high128 Ų12875.5 Ų75.566%0.65638%0.379SS*.THydrogen-bonded Turntrans-110.8-69.8-176-62.1168000111.2I250 P251I250-I253 HydrophobicContact CB-CB 4.16Å; I250-I253 HydrophobicContact CG2-CB 3.86Å; I250-I253 HydrophobicContact CG2-CD1 3.81Å; I250-I253 HydrophobicContact CG2-CG1 4.24Å; I250-I253 PolarHBondContact O-N 3.35Å; I250-I253 VanDerWaalsContact O-N 3.11Å; P251-I253 PolarHBondContact O-N 3.32Å
254F94.1Very high96.1Very high93 Ų9378.2 Ų78.241%0.40839%0.386SS..  trans-132.70-170172.6-113.1000111.9F229 K247 A248 L249 I250F229-F254 HydrophobicContact CB-CZ 3.88Å; F229-F254 AromaticContact CD2-CE2 3.79Å; F229-F254 HydrophobicContact CD2-CE2 3.79Å; F229-F254 AromaticContact CD2-CZ 3.76Å; F229-F254 HydrophobicContact CD2-CZ 3.76Å; F229-F254 HydrophobicContact CE2-CE2 4.41Å; F229-F254 HydrophobicContact CG-CZ 4.16Å; K247-F254 CarbonylContact C-O 3.28Å; K247-F254 WeakPolarHBondContact CB-O 3.25Å; A248-F254 WeakPolarHBondContact CA-O 3.44Å; A248-F254 HydrophobicContact CB-CE1 4.46Å; A248-F254 VanDerWaalsContact CB-O 3.25Å; A248-F254 WeakPolarHBondContact CB-O 3.15Å; A248-F254 PolarHBondContact N-O 3.02Å; A248-F254 PolarHBondContact N-OXT 2.62Å; L249-F254 WeakPolarHBondContact CA-OXT 3.43Å; L249-F254 HydrophobicContact CB-CD1 4.16Å; L249-F254 HydrophobicContact CB-CE1 4.49Å; L249-F254 PolarHBondContact N-OXT 2.96Å; I250-F254 HydrophobicContact CB-CB 4.45Å; I250-F254 PolarHBondContact N-OXT 3.05Å; I250-F254 PolarHBondContact O-N 3.25Å; I250-F254 VanDerWaalsContact O-N 3.12Å

Retrieved 254 of 254 residues in 707.6 ms (Link to these results)

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