A0A3Q0KN99_SCHMA Loading...

Putative tetraspanin-CD63 receptor

AlphaFold DB , UniProt , Accession A0A3Q0KN99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 278 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
1M48.1Very low75.4Confident210 Ų21079 Ų79100%1.03443%0.428SS*.  0-47.30-134.6175.5163.700114.1C3M1-C3 PolarHBondContact O-N 2.89Å
2L51.9Low76.7Confident162 Ų16276.3 Ų76.385%0.84841%0.412SS*.THydrogen-bonded Turntrans-66.2-28.8177.9-94.588.7000114.8N4 P6L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.3Å; L2-P6 VanDerWaalsContact O-CD 3.29Å; L2-P6 WeakPolarHBondContact O-CD 3.41Å
3C58.5Low77.9Confident87 Ų8776.9 Ų76.959%0.58842%0.42SS*.THydrogen-bonded Turntrans-70.3-21.8-178.3-151.40000113.4M1 P6M1-C3 PolarHBondContact O-N 2.89Å; C3-P6 WeakPolarHBondContact O-CD 3.32Å; C3-P6 WeakPolarHBondContact O-CG 3.39Å
4N70.1Confident78.8Confident17 Ų1776.3 Ų76.39%0.09141%0.414CS..Hα-helixtrans-84.7-26.2-175.2-50.927.5000111.1L2 C7 R8 I275 D276L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.3Å; N4-C7 PolarHBondContact O-N 2.6Å; N4-R8 WeakPolarHBondContact O-CG 3.33Å; N4-R8 PolarHBondContact O-N 2.87Å; N4-R8 VanDerWaalsContact O-N 3.08Å; N4-I275 PolarHBondContact ND2-O 2.7Å; N4-I275 WeakPolarHBondContact OD1-CG2 3.37Å; N4-D276 PolarHBondContact ND2-OD1 2.92Å
5L79.4Confident79.8Confident108 Ų10871.4 Ų71.457%0.56539%0.387SS*.Hα-helixtrans-58.4-49.4-178.2-169.866.3000112.8R8 I9L5-R8 PolarHBondContact O-N 2.81Å; L5-I9 HydrophobicContact CD1-CD1 4.12Å; L5-I9 HydrophobicContact CD1-CG1 4.44Å; L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 HydrophobicContact CG-CD1 3.79Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.19Å
6P84Confident80.7Confident70 Ų7069.8 Ų69.846%0.45538%0.381SS..Hα-helixtrans-63-44.9179.423.5-34.2000112.7L2 C3 R8 I9 V10L2-P6 VanDerWaalsContact O-CD 3.29Å; L2-P6 WeakPolarHBondContact O-CD 3.41Å; C3-P6 WeakPolarHBondContact O-CD 3.32Å; C3-P6 WeakPolarHBondContact O-CG 3.39Å; P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.11Å; P6-I9 PolarHBondContact O-N 3.46Å; P6-V10 VanDerWaalsContact O-CG2 3.29Å; P6-V10 WeakPolarHBondContact O-CG2 3.24Å; P6-V10 PolarHBondContact O-N 3.25Å
7C83.7Confident81.4Confident23 Ų2370.6 Ų70.616%0.15539%0.388CS..Hα-helixtrans-60.7-42.4179.6-64.20000112N4 V10 L11 T272N4-C7 PolarHBondContact O-N 2.6Å; C7-V10 PolarHBondContact O-N 2.91Å; C7-L11 WeakPolarHBondContact O-CG 3.49Å; C7-L11 PolarHBondContact O-N 2.92Å; C7-T272 WeakPolarHBondContact CB-OG1 3.36Å
8R85.9Confident82Confident47 Ų4769.8 Ų69.818%0.17739%0.388CS..Hα-helixtrans-66.6-43.4176.9-72.4179.6-177.1-155.66.8112.6N4 L5 P6 V10 L11 I12 N102 T272 D276N4-R8 WeakPolarHBondContact O-CG 3.33Å; N4-R8 PolarHBondContact O-N 2.87Å; N4-R8 VanDerWaalsContact O-N 3.08Å; L5-R8 PolarHBondContact O-N 2.81Å; P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.11Å; R8-V10 VanDerWaalsContact C-N 3.28Å; R8-V10 PolarHBondContact O-N 2.72Å; R8-L11 PolarHBondContact O-N 3.03Å; R8-I12 WeakPolarHBondContact O-CB 3.1Å; R8-I12 VanDerWaalsContact O-CG1 3.25Å; R8-I12 WeakPolarHBondContact O-CG1 3.49Å; R8-I12 PolarHBondContact O-N 3.12Å; R8-N102 VanDerWaalsContact NH1-CG 3.28Å; R8-N102 PolarHBondContact NH1-OD1 3.4Å; R8-N102 PolarHBondContact NH2-ND2 2.66Å; R8-N102 PolarHBondContact NH2-OD1 3.28Å; R8-T272 HydrophobicContact CG-CG2 3.71Å; R8-D276 IonicContact CZ-OD1 3.62Å; R8-D276 IonicContact CZ-OD2 2.61Å; R8-D276 IonicContact NE-OD1 3.7Å; R8-D276 IonicContact NE-OD2 2.68Å; R8-D276 IonicContact NH2-OD1 2.71Å; R8-D276 PolarHBondContact NH2-OD1 3.34Å; R8-D276 IonicContact NH2-OD2 2.8Å; R8-D276 PolarHBondContact NH2-OD2 2.75Å
9I88.5Confident82.7Confident90 Ų9068.7 Ų68.746%0.46238%0.38SS..Hα-helixtrans-58.3-45.7176.6-70.2167.7000109.7L5 P6 L11 I12 V13L5-I9 HydrophobicContact CD1-CD1 4.12Å; L5-I9 HydrophobicContact CD1-CG1 4.44Å; L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 HydrophobicContact CG-CD1 3.79Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.19Å; P6-I9 PolarHBondContact O-N 3.46Å; I9-L11 PolarHBondContact O-N 2.85Å; I9-I12 PolarHBondContact O-N 3.41Å; I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 WeakPolarHBondContact O-CB 3.36Å; I9-V13 VanDerWaalsContact O-CG2 3.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.06Å; I9-V13 PolarHBondContact O-N 2.8Å
10V88.9Confident83.4Confident54 Ų5470.2 Ų70.233%0.32739%0.386SS..Hα-helixtrans-60.2-46.8177.6173.20000111.3P6 C7 R8 V13 M14P6-V10 VanDerWaalsContact O-CG2 3.29Å; P6-V10 WeakPolarHBondContact O-CG2 3.24Å; P6-V10 PolarHBondContact O-N 3.25Å; C7-V10 PolarHBondContact O-N 2.91Å; R8-V10 VanDerWaalsContact C-N 3.28Å; R8-V10 PolarHBondContact O-N 2.72Å; V10-V13 PolarHBondContact O-N 3.4Å; V10-M14 HydrophobicContact CG1-CE 3.4Å; V10-M14 VanDerWaalsContact CG1-CE 3.4Å; V10-M14 HydrophobicContact CG1-CG 4.4Å; V10-M14 HydrophobicContact CG1-SD 3.85Å; V10-M14 WeakPolarHBondContact O-CB 3.04Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.29Å; V10-M14 PolarHBondContact O-N 3.03Å
11L90Very high83.9Confident1 Ų170.5 Ų70.51%0.00539%0.391CS..Hα-helixtrans-63.4-40.9177.5-74.5172.3000112.8C7 R8 I9 N15 A99 V265 F268 T272C7-L11 WeakPolarHBondContact O-CG 3.49Å; C7-L11 PolarHBondContact O-N 2.92Å; R8-L11 PolarHBondContact O-N 3.03Å; I9-L11 PolarHBondContact O-N 2.85Å; L11-N15 WeakPolarHBondContact O-CB 3Å; L11-N15 PolarHBondContact O-N 2.79Å; L11-N15 PolarHBondContact O-ND2 3.36Å; L11-A99 HydrophobicContact CB-CB 4.34Å; L11-V265 HydrophobicContact CD2-CG1 4.47Å; L11-F268 HydrophobicContact CD2-CB 4.16Å; L11-T272 HydrophobicContact CD1-CG2 4.29Å; L11-T272 VanDerWaalsContact CD1-OG1 3.3Å; L11-T272 WeakPolarHBondContact CD1-OG1 3.43Å
12I91.3Very high86.1Confident47 Ų4760.5 Ų60.524%0.24134%0.341CS..Hα-helixtrans-61.5-50.9176.3-70.1167000109R8 I9 M14 N15 T16 Y96 A99R8-I12 WeakPolarHBondContact O-CB 3.1Å; R8-I12 VanDerWaalsContact O-CG1 3.25Å; R8-I12 WeakPolarHBondContact O-CG1 3.49Å; R8-I12 PolarHBondContact O-N 3.12Å; I9-I12 PolarHBondContact O-N 3.41Å; I12-M14 PolarHBondContact O-N 3.04Å; I12-N15 PolarHBondContact O-N 2.87Å; I12-T16 WeakPolarHBondContact O-CB 3.32Å; I12-T16 PolarHBondContact O-N 2.03Å; I12-T16 PolarHBondContact O-OG1 3.11Å; I12-Y96 HydrophobicContact CG2-CD2 4.1Å; I12-Y96 HydrophobicContact CG2-CE2 3.87Å; I12-A99 HydrophobicContact CD1-CB 4.32Å; I12-A99 HydrophobicContact CG1-CB 3.63Å
13V92.2Very high88.3Confident84 Ų8456.2 Ų56.251%0.50932%0.319SS..Hα-helixtrans-58.8-48.8179.91720000111.3I9 V10 N15 T16 V17I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 WeakPolarHBondContact O-CB 3.36Å; I9-V13 VanDerWaalsContact O-CG2 3.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.06Å; I9-V13 PolarHBondContact O-N 2.8Å; V10-V13 PolarHBondContact O-N 3.4Å; V13-N15 PolarHBondContact O-N 3.44Å; V13-T16 PolarHBondContact O-N 2.89Å; V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.34Å
14M91Very high90.1Very high68 Ų6855.5 Ų55.534%0.33531%0.312SS..Hα-helixtrans-61.2-42.4179.4-72.8176.2178.800112.6V10 I12 S18 V265V10-M14 HydrophobicContact CG1-CE 3.4Å; V10-M14 VanDerWaalsContact CG1-CE 3.4Å; V10-M14 HydrophobicContact CG1-CG 4.4Å; V10-M14 HydrophobicContact CG1-SD 3.85Å; V10-M14 WeakPolarHBondContact O-CB 3.04Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.29Å; V10-M14 PolarHBondContact O-N 3.03Å; I12-M14 PolarHBondContact O-N 3.04Å; M14-S18 WeakPolarHBondContact O-CB 3.47Å; M14-S18 PolarHBondContact O-N 3.34Å; M14-S18 PolarHBondContact O-OG 3.21Å; M14-V265 HydrophobicContact SD-CG2 3.85Å
15N93.3Very high91.3Very high3 Ų357 Ų572%0.01632%0.319CS..Hα-helixtrans-73.9-33.4178.7-77.1-67.6000112.3L11 I12 V13 S18 M19 Y110L11-N15 WeakPolarHBondContact O-CB 3Å; L11-N15 PolarHBondContact O-N 2.79Å; L11-N15 PolarHBondContact O-ND2 3.36Å; I12-N15 PolarHBondContact O-N 2.87Å; V13-N15 PolarHBondContact O-N 3.44Å; N15-S18 PolarHBondContact O-N 3.08Å; N15-M19 WeakPolarHBondContact O-CB 3.47Å; N15-M19 PolarHBondContact O-N 2.81Å; N15-Y110 PolarHBondContact ND2-OH 3.45Å; N15-Y110 VanDerWaalsContact ND2-OH 3.09Å; N15-Y110 VanDerWaalsContact OD1-CE2 3.23Å; N15-Y110 WeakPolarHBondContact OD1-CE2 3.5Å; N15-Y110 VanDerWaalsContact OD1-CZ 3.27Å; N15-Y110 PolarHBondContact OD1-OH 3.24Å
16T93.8Very high92Very high46 Ų4654.1 Ų54.128%0.28230%0.304SS..Hα-helixtrans-64.3-45.1173-59.90000110.8I12 V13 M19 I20 Y96I12-T16 WeakPolarHBondContact O-CB 3.32Å; I12-T16 PolarHBondContact O-N 2.03Å; I12-T16 PolarHBondContact O-OG1 3.11Å; V13-T16 PolarHBondContact O-N 2.89Å; T16-M19 PolarHBondContact O-N 3.36Å; T16-I20 HydrophobicContact CG2-CD1 4.19Å; T16-I20 WeakPolarHBondContact O-CG1 3.46Å; T16-I20 PolarHBondContact O-N 2.91Å; T16-Y96 WeakPolarHBondContact OG1-CD2 3.39Å; T16-Y96 WeakPolarHBondContact OG1-CE2 3.12Å
17V93.9Very high92.5Very high84 Ų8455.6 Ų55.651%0.50931%0.307SS..Hα-helixtrans-61.1-48175.1173.40000110.7V13 M19 I20 V21V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.34Å; V17-M19 VanDerWaalsContact C-N 3.3Å; V17-M19 PolarHBondContact O-N 2.97Å; V17-I20 PolarHBondContact O-N 2.95Å; V17-V21 WeakPolarHBondContact O-CG2 3.33Å; V17-V21 PolarHBondContact O-N 2.89Å
18S92.5Very high92.8Very high55 Ų5558.6 Ų58.639%0.38532%0.321SS..Hα-helixtrans-62.7-35.5178.4-58.20000112.6M14 N15 V21 G22 S92M14-S18 WeakPolarHBondContact O-CB 3.47Å; M14-S18 PolarHBondContact O-N 3.34Å; M14-S18 PolarHBondContact O-OG 3.21Å; N15-S18 PolarHBondContact O-N 3.08Å; S18-V21 PolarHBondContact O-N 3.34Å; S18-G22 PolarHBondContact O-N 2.94Å; S18-S92 VanDerWaalsContact CB-OG 3.28Å; S18-S92 WeakPolarHBondContact CB-OG 3.26Å
19M94.9Very high93.1Very high49 Ų4956.4 Ų56.424%0.24131%0.313CS..Hα-helixtrans-66.7-43.6175.8-170.8179.489.200111.5N15 T16 V17 G22 L23 T89N15-M19 WeakPolarHBondContact O-CB 3.47Å; N15-M19 PolarHBondContact O-N 2.81Å; T16-M19 PolarHBondContact O-N 3.36Å; V17-M19 VanDerWaalsContact C-N 3.3Å; V17-M19 PolarHBondContact O-N 2.97Å; M19-G22 PolarHBondContact O-N 3.11Å; M19-L23 HydrophobicContact CE-CD1 4.43Å; M19-L23 HydrophobicContact CG-CD1 4.23Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 VanDerWaalsContact O-CG 3.3Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.81Å; M19-T89 HydrophobicContact CG-CG2 4.43Å
20I95.7Very high93.3Very high98 Ų9853.2 Ų53.250%0.50330%0.3SS..Hα-helixtrans-61.5-47.7176.1-67.5165000110T16 V17 G22 L23 V24T16-I20 HydrophobicContact CG2-CD1 4.19Å; T16-I20 WeakPolarHBondContact O-CG1 3.46Å; T16-I20 PolarHBondContact O-N 2.91Å; V17-I20 PolarHBondContact O-N 2.95Å; I20-G22 VanDerWaalsContact C-N 3.35Å; I20-G22 PolarHBondContact O-N 3.5Å; I20-L23 PolarHBondContact O-N 3.3Å; I20-V24 WeakPolarHBondContact O-CG2 3.28Å; I20-V24 PolarHBondContact O-N 2.97Å
21V94.1Very high93.3Very high78 Ų7853.7 Ų53.747%0.47330%0.301SS..Hα-helixtrans-60.1-45.5176.9174.20000110.9V17 S18 L23 V24 L25V17-V21 WeakPolarHBondContact O-CG2 3.33Å; V17-V21 PolarHBondContact O-N 2.89Å; S18-V21 PolarHBondContact O-N 3.34Å; V21-L23 PolarHBondContact O-N 3.42Å; V21-V24 PolarHBondContact O-N 3.2Å; V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CG 3.21Å; V21-L25 PolarHBondContact O-N 3.14Å
22G95.5Very high93.1Very high0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-59.1-44.317700000113S18 M19 I20 L25 L26 G85 T89S18-G22 PolarHBondContact O-N 2.94Å; M19-G22 PolarHBondContact O-N 3.11Å; I20-G22 VanDerWaalsContact C-N 3.35Å; I20-G22 PolarHBondContact O-N 3.5Å; G22-L25 PolarHBondContact O-N 3.09Å; G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.12Å; G22-G85 WeakPolarHBondContact O-CA 3.34Å; G22-T89 WeakPolarHBondContact CA-OG1 3.22Å; G22-T89 PolarHBondContact O-OG1 3.07Å
23L96.9Very high92.9Very high71 Ų7154.6 Ų54.637%0.37231%0.306SS..Hα-helixtrans-65.5-40.3177.1-74.1172.1000112M19 I20 V21 L26 I27 T89M19-L23 HydrophobicContact CE-CD1 4.43Å; M19-L23 HydrophobicContact CG-CD1 4.23Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 VanDerWaalsContact O-CG 3.3Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.81Å; I20-L23 PolarHBondContact O-N 3.3Å; V21-L23 PolarHBondContact O-N 3.42Å; L23-L26 PolarHBondContact O-N 2.88Å; L23-I27 VanDerWaalsContact O-CG1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.31Å; L23-I27 PolarHBondContact O-N 2.89Å; L23-T89 HydrophobicContact CD2-CG2 3.76Å; L23-T89 HydrophobicContact CG-CG2 4.06Å; L23-T89 PolarHBondContact N-OG1 2.99Å
24V96.4Very high92.5Very high73 Ų7358.4 Ų58.444%0.44231%0.311SS..Hα-helixtrans-61.2-47.8174.5170.10000110.4I20 V21 L26 I27 L28I20-V24 WeakPolarHBondContact O-CG2 3.28Å; I20-V24 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 3.2Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.28Å; V24-I27 PolarHBondContact O-N 2.94Å; V24-L28 HydrophobicContact CG1-CD1 3.77Å; V24-L28 HydrophobicContact CG1-CG 4.28Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 2.98Å
25L94.6Very high92.1Very high47 Ų4755.4 Ų55.425%0.24630%0.298CS..Hα-helixtrans-61.7-40.6176.5-67.4175.3000112V21 G22 L28 G29 V81 L84V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CG 3.21Å; V21-L25 PolarHBondContact O-N 3.14Å; G22-L25 PolarHBondContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 2.98Å; L25-G29 PolarHBondContact O-N 3.18Å; L25-V81 HydrophobicContact CB-CG1 4.24Å; L25-V81 HydrophobicContact CD2-CG1 4.12Å; L25-V81 WeakPolarHBondContact O-CG1 3.44Å; L25-L84 HydrophobicContact CD1-CD2 4.41Å
26L95Very high91.1Very high49 Ų4959 Ų5926%0.25732%0.315SS..Hα-helixtrans-60.9-48.9176.9-169165.2000110.8G22 L23 V24 G29 A30 F82 A86G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.12Å; L23-L26 PolarHBondContact O-N 2.88Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.28Å; L26-G29 PolarHBondContact O-N 2.7Å; L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 3.05Å; L26-F82 HydrophobicContact CD2-CD2 4.22Å; L26-F82 HydrophobicContact CD2-CE2 3.75Å; L26-F82 HydrophobicContact CG-CD2 4.15Å; L26-F82 HydrophobicContact CG-CE2 3.92Å; L26-A86 HydrophobicContact CD1-CB 4.41Å
27I93.8Very high90.2Very high100 Ų10060.9 Ų60.951%0.51333%0.33SS..Hα-helixtrans-62.8-47.7178.1-67.2165.1000110.6L23 V24 G29 A30 L31L23-I27 VanDerWaalsContact O-CG1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.31Å; L23-I27 PolarHBondContact O-N 2.89Å; V24-I27 PolarHBondContact O-N 2.94Å; I27-G29 PolarHBondContact O-N 3.01Å; I27-A30 PolarHBondContact O-N 3.04Å; I27-L31 HydrophobicContact CG2-CD1 3.96Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CB 3.29Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 3.14Å
28L91.4Very high89.3Confident87 Ų8760.3 Ų60.346%0.45533%0.326SS..Hα-helixtrans-61.4-45.7179.1-71.1175.5000111.8V24 L25 L31 M32V24-L28 HydrophobicContact CG1-CD1 3.77Å; V24-L28 HydrophobicContact CG1-CG 4.28Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 2.98Å; L25-L28 PolarHBondContact O-N 2.98Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-M32 VanDerWaalsContact O-CG 3.3Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.23Å
29G91.7Very high88.3Confident0 Ų059.2 Ų59.20%032%0.316CS..Hα-helixtrans-61.5-45.2176.400000112.3L25 L26 I27 L31 M32 V33 G78L25-G29 PolarHBondContact O-N 3.18Å; L26-G29 PolarHBondContact O-N 2.7Å; I27-G29 PolarHBondContact O-N 3.01Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 2.77Å; G29-M32 PolarHBondContact O-N 3.13Å; G29-V33 VanDerWaalsContact O-CG2 3.28Å; G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 2.99Å; G29-V33 VanDerWaalsContact O-N 3.11Å; G29-G78 WeakPolarHBondContact CA-O 3.37Å
30A91.9Very high87.2Confident24 Ų2460 Ų6020%0.19832%0.319CS..Hα-helixtrans-61.5-40.7176.700000112.3L26 I27 V33 W34 F82L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 3.05Å; I27-A30 PolarHBondContact O-N 3.04Å; A30-V33 PolarHBondContact O-N 3.14Å; A30-W34 HydrophobicContact CB-CE3 3.94Å; A30-W34 HydrophobicContact CB-CZ3 3.97Å; A30-W34 PolarHBondContact O-N 2.96Å; A30-F82 HydrophobicContact CB-CD2 3.97Å; A30-F82 HydrophobicContact CB-CE2 4.16Å
31L89.6Confident86.1Confident64 Ų6458.3 Ų58.334%0.33532%0.316SS..Hα-helixtrans-64.6-41.8175.5-72.6172.8000111.9I27 L28 G29 V33 G35 V38 I39I27-L31 HydrophobicContact CG2-CD1 3.96Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CB 3.29Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 3.14Å; L28-L31 PolarHBondContact O-N 3.45Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 2.77Å; L31-V33 VanDerWaalsContact C-N 3.3Å; L31-V33 PolarHBondContact O-N 3.31Å; L31-G35 CarbonylContact O-C 3.45Å; L31-G35 WeakPolarHBondContact O-CA 3.48Å; L31-G35 PolarHBondContact O-N 3.1Å; L31-V38 HydrophobicContact CD2-CG1 4.3Å; L31-I39 WeakPolarHBondContact O-CD1 3.23Å
32M85.1Confident85Confident46 Ų4660 Ų6023%0.22732%0.321CS..Hα-helixtrans-64.8-34178.3-71172.574.900112.9L28 G29 T74 V77L28-M32 VanDerWaalsContact O-CG 3.3Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.23Å; G29-M32 PolarHBondContact O-N 3.13Å; M32-T74 HydrophobicContact CE-CG2 4.39Å; M32-V77 HydrophobicContact CE-CB 4.31Å; M32-V77 HydrophobicContact CE-CG1 4.32Å
33V87.3Confident83.6Confident21 Ų2162.6 Ų62.613%0.12734%0.335CS..Hα-helixtrans-85.1-53.3-176.41770000111.8G29 A30 L31 G78 M79G29-V33 VanDerWaalsContact O-CG2 3.28Å; G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 2.99Å; G29-V33 VanDerWaalsContact O-N 3.11Å; A30-V33 PolarHBondContact O-N 3.14Å; L31-V33 VanDerWaalsContact C-N 3.3Å; L31-V33 PolarHBondContact O-N 3.31Å; V33-G78 VanDerWaalsContact CG2-C 3.4Å; V33-M79 HydrophobicContact CB-SD 4.06Å; V33-M79 HydrophobicContact CG1-CG 4.17Å; V33-M79 HydrophobicContact CG1-SD 3.45Å; V33-M79 WeakPolarHBondContact CG1-SD 3.36Å; V33-M79 HydrophobicContact CG2-CB 4.26Å; V33-M79 HydrophobicContact CG2-CG 3.62Å; V33-M79 VanDerWaalsContact CG2-N 3.27Å; V33-M79 HydrophobicContact CG2-SD 3.49Å; V33-M79 WeakPolarHBondContact CG2-SD 3.16Å
34W85.2Confident82.3Confident163 Ų16361.6 Ų61.662%0.61733%0.33SS*.Hα-helixtrans-108.2-16.2-171.7-58.7-59.5000113.3A30 Q36 F82A30-W34 HydrophobicContact CB-CE3 3.94Å; A30-W34 HydrophobicContact CB-CZ3 3.97Å; A30-W34 PolarHBondContact O-N 2.96Å; W34-Q36 VanDerWaalsContact C-N 3.28Å; W34-Q36 PolarHBondContact O-N 2.86Å; W34-F82 HydrophobicContact CH2-CD1 4.42Å; W34-F82 HydrophobicContact CH2-CE1 4.05Å; W34-F82 HydrophobicContact CH2-CE2 4.34Å; W34-F82 HydrophobicContact CH2-CZ 4Å; W34-F82 HydrophobicContact CZ3-CD2 4.28Å; W34-F82 HydrophobicContact CZ3-CE1 4.48Å; W34-F82 AromaticContact CZ3-CE2 3.96Å; W34-F82 HydrophobicContact CZ3-CE2 3.96Å; W34-F82 HydrophobicContact CZ3-CZ 4.07Å
35G81.5Confident81Confident6 Ų662.9 Ų62.96%0.06234%0.335CS..  trans-86.423.8-175.700000114.5L31 S37 V38 I39L31-G35 CarbonylContact O-C 3.45Å; L31-G35 WeakPolarHBondContact O-CA 3.48Å; L31-G35 PolarHBondContact O-N 3.1Å; G35-S37 PolarHBondContact O-N 2.69Å; G35-V38 CarbonylContact O-C 3.6Å; G35-V38 WeakPolarHBondContact O-CA 3.19Å; G35-V38 WeakPolarHBondContact O-CB 3.45Å; G35-V38 PolarHBondContact O-N 3.24Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 2.77Å
36Q72.6Confident79.6Confident79 Ų7967.2 Ų67.237%0.36935%0.352SS..Hα-helixtrans-52-42.5180-69.8-173.5-12.500112.2W34 Q40W34-Q36 VanDerWaalsContact C-N 3.28Å; W34-Q36 PolarHBondContact O-N 2.86Å; Q36-Q40 VanDerWaalsContact O-CB 3.24Å; Q36-Q40 WeakPolarHBondContact O-CB 3.05Å; Q36-Q40 WeakPolarHBondContact O-CG 3.36Å; Q36-Q40 PolarHBondContact O-N 3.19Å
37S74.8Confident78Confident85 Ų8566.7 Ų66.759%0.59435%0.349SS*.Hα-helixtrans-66.1-39.6176.255.60000113.1G35 S41G35-S37 PolarHBondContact O-N 2.69Å; S37-S41 WeakPolarHBondContact O-CB 3.22Å; S37-S41 PolarHBondContact O-N 2.02Å
38V75Confident76.5Confident71 Ų7165.3 Ų65.343%0.4335%0.345SS..Hα-helixtrans-66.8-46.9176.8-179.70000110.1L31 G35 S41 L42L31-V38 HydrophobicContact CD2-CG1 4.3Å; G35-V38 CarbonylContact O-C 3.6Å; G35-V38 WeakPolarHBondContact O-CA 3.19Å; G35-V38 WeakPolarHBondContact O-CB 3.45Å; G35-V38 PolarHBondContact O-N 3.24Å; V38-S41 PolarHBondContact O-N 3.42Å; V38-L42 HydrophobicContact CG1-CD1 4.2Å; V38-L42 HydrophobicContact CG1-CG 4.49Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 3.2Å
39I71.4Confident75.2Confident32 Ų3266.6 Ų66.616%0.16435%0.352CS..Hα-helixtrans-66.7-42.4179.7-61.8167000110.5L31 G35 S41 L42 L43 L71L31-I39 WeakPolarHBondContact O-CD1 3.23Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 2.77Å; I39-S41 VanDerWaalsContact C-N 3.32Å; I39-S41 PolarHBondContact O-N 3.22Å; I39-L42 PolarHBondContact O-N 2.69Å; I39-L43 HydrophobicContact CG2-CD1 3.4Å; I39-L43 VanDerWaalsContact CG2-CD1 3.4Å; I39-L43 HydrophobicContact CG2-CG 4.06Å; I39-L43 VanDerWaalsContact O-CB 3.24Å; I39-L43 WeakPolarHBondContact O-CB 3.09Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.08Å; I39-L71 HydrophobicContact CB-CD1 4.42Å; I39-L71 HydrophobicContact CB-CD2 4.09Å; I39-L71 HydrophobicContact CD1-CD2 3.78Å; I39-L71 HydrophobicContact CG2-CD1 4.24Å; I39-L71 HydrophobicContact CG2-CD2 3.59Å; I39-L71 HydrophobicContact CG2-CG 4.47Å
40Q71Confident73.7Confident65 Ų6570.2 Ų70.230%0.30437%0.371SS..Hα-helixtrans-59.6-42.2172.6-78.1176.41.200111.5Q36 N44 V67 L71Q36-Q40 VanDerWaalsContact O-CB 3.24Å; Q36-Q40 WeakPolarHBondContact O-CB 3.05Å; Q36-Q40 WeakPolarHBondContact O-CG 3.36Å; Q36-Q40 PolarHBondContact O-N 3.19Å; Q40-N44 WeakPolarHBondContact O-CB 3.17Å; Q40-N44 PolarHBondContact O-N 3.35Å; Q40-N44 PolarHBondContact O-OD1 2.79Å; Q40-V67 HydrophobicContact CG-CG1 4.11Å; Q40-L71 HydrophobicContact CG-CD1 4.01Å
41S73.2Confident72.1Confident64 Ų6470.2 Ų70.245%0.44837%0.368SS..Hα-helixtrans-63.8-45.6176.2-175.40000112.1S37 V38 I39 N45S37-S41 WeakPolarHBondContact O-CB 3.22Å; S37-S41 PolarHBondContact O-N 2.02Å; V38-S41 PolarHBondContact O-N 3.42Å; I39-S41 VanDerWaalsContact C-N 3.32Å; I39-S41 PolarHBondContact O-N 3.22Å; S41-N45 WeakPolarHBondContact O-CB 3.01Å; S41-N45 PolarHBondContact O-N 3.45Å; S41-N45 PolarHBondContact O-ND2 3.16Å
42L70.1Confident70.6Confident112 Ų11273.6 Ų73.659%0.58639%0.386SS*.Hα-helixtrans-64.5-46.2177.2-69.4177.4000112.3V38 I39 N45 F46V38-L42 HydrophobicContact CG1-CD1 4.2Å; V38-L42 HydrophobicContact CG1-CG 4.49Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 3.2Å; I39-L42 PolarHBondContact O-N 2.69Å; L42-N45 PolarHBondContact O-N 3.13Å; L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 3.2Å
43L67.1Low69.3Low56 Ų5678.1 Ų78.129%0.29341%0.407SS..Hα-helixtrans-65.8-44.1177-77.9164.7000110.7I39 N45 F46 I47 V67I39-L43 HydrophobicContact CG2-CD1 3.4Å; I39-L43 VanDerWaalsContact CG2-CD1 3.4Å; I39-L43 HydrophobicContact CG2-CG 4.06Å; I39-L43 VanDerWaalsContact O-CB 3.24Å; I39-L43 WeakPolarHBondContact O-CB 3.09Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.08Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 3.12Å; L43-F46 PolarHBondContact O-N 3.23Å; L43-I47 HydrophobicContact CB-CD1 4.03Å; L43-I47 HydrophobicContact CD2-CD1 3.87Å; L43-I47 HydrophobicContact CD2-CG1 4.32Å; L43-I47 WeakPolarHBondContact O-CA 3.5Å; L43-I47 WeakPolarHBondContact O-CB 3.36Å; L43-I47 WeakPolarHBondContact O-CG1 3.27Å; L43-I47 PolarHBondContact O-N 2.89Å; L43-V67 HydrophobicContact CB-CG2 4.49Å; L43-V67 HydrophobicContact CD1-CG1 3.62Å; L43-V67 HydrophobicContact CD1-CG2 4.16Å
44N68.8Low67.5Low50 Ų5085.8 Ų85.827%0.26744%0.435SS..Hα-helixtrans-62.3-42177.9-74.4-4.5000110.8Q40 F46 T48Q40-N44 WeakPolarHBondContact O-CB 3.17Å; Q40-N44 PolarHBondContact O-N 3.35Å; Q40-N44 PolarHBondContact O-OD1 2.79Å; N44-F46 PolarHBondContact O-N 2.85Å; N44-T48 WeakPolarHBondContact O-CB 3.23Å; N44-T48 PolarHBondContact O-N 3.21Å; N44-T48 PolarHBondContact O-OG1 3.34Å
45N70Confident66Low100 Ų10082.3 Ų82.354%0.53543%0.427SS..Hα-helixtrans-63.9-41.4175.6-69.2-27.3000112S41 L42 L43 N49S41-N45 WeakPolarHBondContact O-CB 3.01Å; S41-N45 PolarHBondContact O-N 3.45Å; S41-N45 PolarHBondContact O-ND2 3.16Å; L42-N45 PolarHBondContact O-N 3.13Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 3.12Å; N45-N49 WeakPolarHBondContact O-CB 3.21Å; N45-N49 PolarHBondContact O-ND2 3.47Å
46F65.8Low64.2Low138 Ų13892.4 Ų92.461%0.60547%0.469SS*.Hα-helixtrans-76.7-46.8-178.4-164.4-103.4000113L42 L43 N44 N49 L50L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 3.2Å; L43-F46 PolarHBondContact O-N 3.23Å; N44-F46 PolarHBondContact O-N 2.85Å; F46-N49 PolarHBondContact O-N 2.99Å; F46-L50 HydrophobicContact CD1-CD1 3.58Å; F46-L50 HydrophobicContact CD1-CG 4.48Å; F46-L50 HydrophobicContact CE1-CD1 3.37Å; F46-L50 HydrophobicContact CE1-CG 4.35Å; F46-L50 HydrophobicContact CZ-CD1 4.18Å; F46-L50 WeakPolarHBondContact O-CG 3.14Å; F46-L50 PolarHBondContact O-N 3Å
47I60.8Low63.3Low37 Ų3792.4 Ų92.419%0.1949%0.491CS..Hα-helixtrans-69.4-43.1-179.6-64.9178.6000110.8L43 N49 L50 I51 I63 V67L43-I47 HydrophobicContact CB-CD1 4.03Å; L43-I47 HydrophobicContact CD2-CD1 3.87Å; L43-I47 HydrophobicContact CD2-CG1 4.32Å; L43-I47 WeakPolarHBondContact O-CA 3.5Å; L43-I47 WeakPolarHBondContact O-CB 3.36Å; L43-I47 WeakPolarHBondContact O-CG1 3.27Å; L43-I47 PolarHBondContact O-N 2.89Å; I47-N49 PolarHBondContact O-N 3.19Å; I47-L50 PolarHBondContact O-N 3.48Å; I47-L50 VanDerWaalsContact O-N 3.14Å; I47-I51 HydrophobicContact CG2-CD1 3.24Å; I47-I51 HydrophobicContact CG2-CG1 3.72Å; I47-I51 WeakPolarHBondContact O-CB 3.28Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 2.69Å; I47-I63 HydrophobicContact CD1-CG2 4.27Å; I47-I63 HydrophobicContact CG2-CG2 3.77Å; I47-V67 HydrophobicContact CD1-CG2 3.99Å
48T62Low62.2Low71 Ų7190.7 Ų90.744%0.43648%0.477SS..Hα-helixtrans-60.1-38.9177.3-56.10000110.7N44 N52N44-T48 WeakPolarHBondContact O-CB 3.23Å; N44-T48 PolarHBondContact O-N 3.21Å; N44-T48 PolarHBondContact O-OG1 3.34Å; T48-N52 VanDerWaalsContact O-CB 3.32Å; T48-N52 WeakPolarHBondContact O-CB 3.44Å; T48-N52 PolarHBondContact O-N 3.45Å; T48-N52 VanDerWaalsContact O-N 3.1Å; T48-N52 PolarHBondContact O-ND2 3.32Å
49N65Low61.3Low114 Ų11492.5 Ų92.561%0.6148%0.484SS*.Hα-helixtrans-66.7-41.7175.3-71.9-19.2000112.5N45 F46 I47 Q53N45-N49 WeakPolarHBondContact O-CB 3.21Å; N45-N49 PolarHBondContact O-ND2 3.47Å; F46-N49 PolarHBondContact O-N 2.99Å; I47-N49 PolarHBondContact O-N 3.19Å; N49-Q53 PolarHBondContact O-N 3.3Å
50L60.4Low60.6Low76 Ų7694.9 Ų94.940%0.39850%0.503SS..Hα-helixtrans-69.4-42.5176.8-77.4170.9000113.3F46 I47 Q53 Y54F46-L50 HydrophobicContact CD1-CD1 3.58Å; F46-L50 HydrophobicContact CD1-CG 4.48Å; F46-L50 HydrophobicContact CE1-CD1 3.37Å; F46-L50 HydrophobicContact CE1-CG 4.35Å; F46-L50 HydrophobicContact CZ-CD1 4.18Å; F46-L50 WeakPolarHBondContact O-CG 3.14Å; F46-L50 PolarHBondContact O-N 3Å; I47-L50 PolarHBondContact O-N 3.48Å; I47-L50 VanDerWaalsContact O-N 3.14Å; L50-Q53 PolarHBondContact O-N 3.49Å; L50-Q53 VanDerWaalsContact O-N 3.13Å; L50-Y54 PolarHBondContact O-N 3.47Å
51I57.2Low59.9Low25 Ų2593.7 Ų93.713%0.12851%0.509CS..Hα-helixtrans-67.8-43.9-177.5-72.1-177.4000110.8I47 Q53 Y54 I55 I63I47-I51 HydrophobicContact CG2-CD1 3.24Å; I47-I51 HydrophobicContact CG2-CG1 3.72Å; I47-I51 WeakPolarHBondContact O-CB 3.28Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 2.69Å; I51-Q53 PolarHBondContact O-N 3.23Å; I51-Q53 VanDerWaalsContact O-N 3.11Å; I51-Y54 PolarHBondContact O-N 3.04Å; I51-I55 HydrophobicContact CG2-CB 4.48Å; I51-I55 CarbonylContact O-C 3.3Å; I51-I55 PolarHBondContact O-N 2.68Å; I51-I63 HydrophobicContact CD1-CD1 3.18Å; I51-I63 HydrophobicContact CD1-CG1 3.59Å
52N58.3Low59.2Low134 Ų13496.5 Ų96.572%0.71752%0.515SS*.Hα-helixtrans-58.5-25.8173.5-75.5-20.2000112.4T48T48-N52 VanDerWaalsContact O-CB 3.32Å; T48-N52 WeakPolarHBondContact O-CB 3.44Å; T48-N52 PolarHBondContact O-N 3.45Å; T48-N52 VanDerWaalsContact O-N 3.1Å; T48-N52 PolarHBondContact O-ND2 3.32Å
53Q57.1Low58.7Low141 Ų14192.6 Ų92.666%0.65949%0.494SS*.Hα-helixtrans-90.6-33.2-177.8-161.9176.214.600113.7N49 L50 I51N49-Q53 PolarHBondContact O-N 3.3Å; L50-Q53 PolarHBondContact O-N 3.49Å; L50-Q53 VanDerWaalsContact O-N 3.13Å; I51-Q53 PolarHBondContact O-N 3.23Å; I51-Q53 VanDerWaalsContact O-N 3.11Å
54Y50.7Low58.5Low182 Ų18293.3 Ų93.371%0.71450%0.498SS*.Hα-helixtrans-123.4-23.6-171-78-85.6000116.2L50 I51L50-Y54 PolarHBondContact O-N 3.47Å; I51-Y54 PolarHBondContact O-N 3.04Å
55I52.4Low58.3Low91 Ų9195.1 Ų95.147%0.46751%0.505SS..  trans-13188.7-167.9-50179.3000109.8I51 G57 T58I51-I55 HydrophobicContact CG2-CB 4.48Å; I51-I55 CarbonylContact O-C 3.3Å; I51-I55 PolarHBondContact O-N 2.68Å; I55-G57 PolarHBondContact O-N 2.96Å; I55-T58 VanDerWaalsContact CG2-OG1 3.26Å; I55-T58 WeakPolarHBondContact CG2-OG1 3.45Å
56K45.2Very low57.7Low217 Ų21796 Ų9694%0.94351%0.507SS*.THydrogen-bonded Turntrans-62.8117168.8-73.8-176.1176.9-179.10109.3
57G53.8Low57.8Low79 Ų7989.7 Ų89.781%0.81448%0.481SS*.THydrogen-bonded Turntrans10513161.500000117.6I55I55-G57 PolarHBondContact O-N 2.96Å
58T51.6Low58.1Low50 Ų5090.7 Ų90.731%0.30749%0.488SS..  trans-79.4123.2167.8-52.60000110.1I55 Q62 I63I55-T58 VanDerWaalsContact CG2-OG1 3.26Å; I55-T58 WeakPolarHBondContact CG2-OG1 3.45Å; T58-Q62 HydrophobicContact CG2-CB 4.42Å; T58-I63 HydrophobicContact CG2-CD1 3.92Å; T58-I63 HydrophobicContact CG2-CG1 3.71Å
59D56.2Low58.2Low109 Ų10992.6 Ų92.658%0.58349%0.487SS*.  trans-71.5138.3-179.6-153.2-17.7000110.8G61 Q62D59-G61 PolarHBondContact O-N 3.2Å; D59-Q62 PolarHBondContact O-N 3.49Å
60S56.7Low58.5Low81 Ų8191.8 Ų91.857%0.56648%0.482SS*.Hα-helixtrans-52.5-30.9179.960.40000112.9N64S60-N64 PolarHBondContact O-N 3.24Å; S60-N64 PolarHBondContact O-ND2 2.97Å
61G56Low58.9Low41 Ų4188.6 Ų88.642%0.42347%0.465SS..Hα-helixtrans-64.3-42.9175.700000114.1D59 I63 N64 E65D59-G61 PolarHBondContact O-N 3.2Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 3.47Å; G61-N64 PolarHBondContact O-N 2.82Å; G61-E65 PolarHBondContact O-N 2.61Å
62Q58.3Low59.6Low123 Ų12391.5 Ų91.558%0.57548%0.484SS*.Hα-helixtrans-68.5-35.4-177.8-68.1-176.5-46.200112.1T58 D59 E65 M66T58-Q62 HydrophobicContact CG2-CB 4.42Å; D59-Q62 PolarHBondContact O-N 3.49Å; Q62-E65 PolarHBondContact O-N 2.89Å; Q62-M66 PolarHBondContact O-N 3.42Å
63I60.1Low60.1Low29 Ų2988.7 Ų88.715%0.14948%0.476CS..Hα-helixtrans-67.6-49.1177.5-62.4148.9000110I47 I51 T58 G61 E65 M66 V67I47-I63 HydrophobicContact CD1-CG2 4.27Å; I47-I63 HydrophobicContact CG2-CG2 3.77Å; I51-I63 HydrophobicContact CD1-CD1 3.18Å; I51-I63 HydrophobicContact CD1-CG1 3.59Å; T58-I63 HydrophobicContact CG2-CD1 3.92Å; T58-I63 HydrophobicContact CG2-CG1 3.71Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 3.47Å; I63-E65 PolarHBondContact O-N 2.74Å; I63-M66 PolarHBondContact O-N 2.87Å; I63-V67 HydrophobicContact CG2-CG2 4.33Å; I63-V67 WeakPolarHBondContact O-CB 3.28Å; I63-V67 WeakPolarHBondContact O-CG2 3.2Å; I63-V67 PolarHBondContact O-N 3.19Å
64N62.7Low61.1Low71 Ų7183.8 Ų83.838%0.3846%0.455SS..Hα-helixtrans-59.7-36.9178.1-74.9-17.8000111.4S60 G61 T68S60-N64 PolarHBondContact O-N 3.24Å; S60-N64 PolarHBondContact O-ND2 2.97Å; G61-N64 PolarHBondContact O-N 2.82Å; N64-T68 VanDerWaalsContact O-CB 3.28Å; N64-T68 WeakPolarHBondContact O-CB 3.08Å; N64-T68 PolarHBondContact O-N 3.27Å; N64-T68 PolarHBondContact O-OG1 2.95Å
65E63.1Low62.5Low88 Ų8876.7 Ų76.741%0.41143%0.432SS..Hα-helixtrans-66.3-49.1175.2-158.2-171.7160.500111.6G61 Q62 I63 V67 T68 R69G61-E65 PolarHBondContact O-N 2.61Å; Q62-E65 PolarHBondContact O-N 2.89Å; I63-E65 PolarHBondContact O-N 2.74Å; E65-V67 PolarHBondContact O-N 3.16Å; E65-T68 PolarHBondContact O-N 2.92Å; E65-R69 WeakPolarHBondContact O-CG 3.5Å; E65-R69 PolarHBondContact O-N 3.07Å; E65-R69 IonicContact OE1-CZ 3.4Å; E65-R69 IonicContact OE1-NE 3.49Å; E65-R69 PolarHBondContact OE1-NE 3.29Å; E65-R69 IonicContact OE1-NH2 3.42Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-NH2 2.66Å; E65-R69 PolarHBondContact OE2-NH2 3.06Å
66M58.9Low63.9Low118 Ų11876.6 Ų76.658%0.58144%0.438SS*.Hα-helixtrans-59.5-43.6176.9-174.7-176.5-73.400112.4Q62 I63 R69 I70Q62-M66 PolarHBondContact O-N 3.42Å; I63-M66 PolarHBondContact O-N 2.87Å; M66-R69 WeakPolarHBondContact O-CB 3.41Å; M66-R69 PolarHBondContact O-N 2.03Å; M66-I70 HydrophobicContact CG-CD1 4.33Å; M66-I70 WeakPolarHBondContact O-CG1 3.11Å; M66-I70 PolarHBondContact O-N 2.74Å
67V66.8Low65.8Low7 Ų770.2 Ų70.24%0.04242%0.417CS..Hα-helixtrans-61.7-46.2175.9170.10000110.2Q40 L43 I47 I63 E65 R69 I70 L71Q40-V67 HydrophobicContact CG-CG1 4.11Å; L43-V67 HydrophobicContact CB-CG2 4.49Å; L43-V67 HydrophobicContact CD1-CG1 3.62Å; L43-V67 HydrophobicContact CD1-CG2 4.16Å; I47-V67 HydrophobicContact CD1-CG2 3.99Å; I63-V67 HydrophobicContact CG2-CG2 4.33Å; I63-V67 WeakPolarHBondContact O-CB 3.28Å; I63-V67 WeakPolarHBondContact O-CG2 3.2Å; I63-V67 PolarHBondContact O-N 3.19Å; E65-V67 PolarHBondContact O-N 3.16Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.97Å; V67-I70 PolarHBondContact O-N 2.69Å; V67-L71 HydrophobicContact CG1-CD1 3.73Å; V67-L71 HydrophobicContact CG1-CG 4.25Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.32Å; V67-L71 PolarHBondContact O-N 3.39Å
68T67.9Low67.5Low57 Ų5766.5 Ų66.535%0.3538%0.378SS..Hα-helixtrans-64.1-35.5177.8-55.20000112N64 E65 L71 T72N64-T68 VanDerWaalsContact O-CB 3.28Å; N64-T68 WeakPolarHBondContact O-CB 3.08Å; N64-T68 PolarHBondContact O-N 3.27Å; N64-T68 PolarHBondContact O-OG1 2.95Å; E65-T68 PolarHBondContact O-N 2.92Å; T68-L71 PolarHBondContact O-N 3.33Å; T68-T72 WeakPolarHBondContact O-CB 3.48Å; T68-T72 PolarHBondContact O-N 3.05Å; T68-T72 PolarHBondContact O-OG1 3.06Å
69R64.9Low69.4Low111 Ų11167.4 Ų67.442%0.41938%0.38SS..Hα-helixtrans-60.7-46.9173.5-71170.5-168.8-171.40.5111.6E65 M66 V67 S73E65-R69 WeakPolarHBondContact O-CG 3.5Å; E65-R69 PolarHBondContact O-N 3.07Å; E65-R69 IonicContact OE1-CZ 3.4Å; E65-R69 IonicContact OE1-NE 3.49Å; E65-R69 PolarHBondContact OE1-NE 3.29Å; E65-R69 IonicContact OE1-NH2 3.42Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-NH2 2.66Å; E65-R69 PolarHBondContact OE2-NH2 3.06Å; M66-R69 WeakPolarHBondContact O-CB 3.41Å; M66-R69 PolarHBondContact O-N 2.03Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.97Å; R69-S73 WeakPolarHBondContact O-CB 2.98Å; R69-S73 PolarHBondContact O-N 3.46Å
70I70.4Confident71.1Confident98 Ų9865.1 Ų65.150%0.50338%0.375SS..Hα-helixtrans-65.2-48.7177.4-65.4167.2000110.1M66 V67 T72 S73 T74M66-I70 HydrophobicContact CG-CD1 4.33Å; M66-I70 WeakPolarHBondContact O-CG1 3.11Å; M66-I70 PolarHBondContact O-N 2.74Å; V67-I70 PolarHBondContact O-N 2.69Å; I70-T72 PolarHBondContact O-N 3.36Å; I70-S73 PolarHBondContact O-N 2.91Å; I70-T74 HydrophobicContact CG2-CG2 4.14Å; I70-T74 WeakPolarHBondContact O-CB 3.02Å; I70-T74 VanDerWaalsContact O-CG2 3.22Å; I70-T74 WeakPolarHBondContact O-CG2 3.02Å; I70-T74 PolarHBondContact O-N 3.48Å; I70-T74 PolarHBondContact O-OG1 3.48Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å
71L69.5Low72.7Confident8 Ų862.9 Ų62.94%0.04236%0.359CS..Hα-helixtrans-63.9-46-175.4-67.6175.7000112.7I39 Q40 V67 T68 S73 T74 S75I39-L71 HydrophobicContact CB-CD1 4.42Å; I39-L71 HydrophobicContact CB-CD2 4.09Å; I39-L71 HydrophobicContact CD1-CD2 3.78Å; I39-L71 HydrophobicContact CG2-CD1 4.24Å; I39-L71 HydrophobicContact CG2-CD2 3.59Å; I39-L71 HydrophobicContact CG2-CG 4.47Å; Q40-L71 HydrophobicContact CG-CD1 4.01Å; V67-L71 HydrophobicContact CG1-CD1 3.73Å; V67-L71 HydrophobicContact CG1-CG 4.25Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.32Å; V67-L71 PolarHBondContact O-N 3.39Å; T68-L71 PolarHBondContact O-N 3.33Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.47Å; L71-T74 WeakPolarHBondContact CA-OG1 3.26Å; L71-T74 PolarHBondContact O-N 2.95Å; L71-T74 PolarHBondContact O-OG1 3.47Å; L71-S75 PolarHBondContact O-N 3.39Å
72T70.3Confident74.5Confident86 Ų8663.3 Ų63.353%0.52835%0.349SS..Hα-helixtrans-62.8-38.9178.7-51.20000111.3T68 I70T68-T72 WeakPolarHBondContact O-CB 3.48Å; T68-T72 PolarHBondContact O-N 3.05Å; T68-T72 PolarHBondContact O-OG1 3.06Å; I70-T72 PolarHBondContact O-N 3.36Å
73S70.7Confident76.3Confident76 Ų7662 Ų6253%0.53135%0.345SS..Hα-helixtrans-68-35.8175.5-176.60000112.7R69 I70 L71R69-S73 WeakPolarHBondContact O-CB 2.98Å; R69-S73 PolarHBondContact O-N 3.46Å; I70-S73 PolarHBondContact O-N 2.91Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.47Å
74T77.6Confident77.8Confident38 Ų3865.1 Ų65.123%0.23336%0.361CS..Hα-helixtrans-81.4-15.2-179.3610000114.6M32 I70 L71 V77 G78M32-T74 HydrophobicContact CE-CG2 4.39Å; I70-T74 HydrophobicContact CG2-CG2 4.14Å; I70-T74 WeakPolarHBondContact O-CB 3.02Å; I70-T74 VanDerWaalsContact O-CG2 3.22Å; I70-T74 WeakPolarHBondContact O-CG2 3.02Å; I70-T74 PolarHBondContact O-N 3.48Å; I70-T74 PolarHBondContact O-OG1 3.48Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å; L71-T74 WeakPolarHBondContact CA-OG1 3.26Å; L71-T74 PolarHBondContact O-N 2.95Å; L71-T74 PolarHBondContact O-OG1 3.47Å; T74-V77 WeakPolarHBondContact O-CA 3.47Å; T74-V77 WeakPolarHBondContact O-CB 3.18Å; T74-V77 PolarHBondContact O-N 3.26Å; T74-V77 VanDerWaalsContact O-N 3.07Å; T74-G78 PolarHBondContact O-N 3.07Å
75S78.5Confident79.3Confident32 Ų3261.7 Ų61.722%0.22434%0.343CS..Hα-helixtrans-56.9-46.2-175.9174.10000114.1L71 V77 G78 M79L71-S75 PolarHBondContact O-N 3.39Å; S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.32Å; S75-G78 WeakPolarHBondContact O-CA 3.38Å; S75-G78 PolarHBondContact O-N 2.79Å; S75-G78 VanDerWaalsContact O-N 3.12Å; S75-M79 PolarHBondContact O-N 3.32Å
76P83.6Confident80.8Confident90 Ų9059.4 Ų59.458%0.58434%0.339SS*.Hα-helixtrans-62-36.2174.5-2334.2000113.5G78 M79 A80P76-G78 VanDerWaalsContact C-N 3.33Å; P76-M79 PolarHBondContact O-N 3.21Å; P76-A80 PolarHBondContact O-N 3.37Å
77V84.9Confident82.5Confident83 Ų8357.2 Ų57.250%0.50333%0.332SS..Hα-helixtrans-65.4-41.7174.8-177.50000109.9M32 T74 S75 M79 A80 V81M32-V77 HydrophobicContact CE-CB 4.31Å; M32-V77 HydrophobicContact CE-CG1 4.32Å; T74-V77 WeakPolarHBondContact O-CA 3.47Å; T74-V77 WeakPolarHBondContact O-CB 3.18Å; T74-V77 PolarHBondContact O-N 3.26Å; T74-V77 VanDerWaalsContact O-N 3.07Å; S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.32Å; V77-M79 VanDerWaalsContact C-N 3.31Å; V77-M79 PolarHBondContact O-N 3.03Å; V77-A80 PolarHBondContact O-N 3.2Å; V77-V81 HydrophobicContact CG1-CG2 4.34Å; V77-V81 WeakPolarHBondContact O-CG2 3.43Å; V77-V81 PolarHBondContact O-N 3.04Å
78G89.4Confident83.8Confident0 Ų058.9 Ų58.90%034%0.343CS..Hα-helixtrans-56.7-42.7174.500000112.8G29 V33 T74 S75 P76 V81 F82G29-G78 WeakPolarHBondContact CA-O 3.37Å; V33-G78 VanDerWaalsContact CG2-C 3.4Å; T74-G78 PolarHBondContact O-N 3.07Å; S75-G78 WeakPolarHBondContact O-CA 3.38Å; S75-G78 PolarHBondContact O-N 2.79Å; S75-G78 VanDerWaalsContact O-N 3.12Å; P76-G78 VanDerWaalsContact C-N 3.33Å; G78-V81 PolarHBondContact O-N 3.28Å; G78-F82 WeakPolarHBondContact O-CB 3.34Å; G78-F82 PolarHBondContact O-N 3.15Å
79M91.1Very high85.1Confident70 Ų7057.2 Ų57.235%0.34533%0.333SS..Hα-helixtrans-62.1-44175.5-77.9-57.1-56.300112.2V33 S75 P76 V77 F82 I83V33-M79 HydrophobicContact CB-SD 4.06Å; V33-M79 HydrophobicContact CG1-CG 4.17Å; V33-M79 HydrophobicContact CG1-SD 3.45Å; V33-M79 WeakPolarHBondContact CG1-SD 3.36Å; V33-M79 HydrophobicContact CG2-CB 4.26Å; V33-M79 HydrophobicContact CG2-CG 3.62Å; V33-M79 VanDerWaalsContact CG2-N 3.27Å; V33-M79 HydrophobicContact CG2-SD 3.49Å; V33-M79 WeakPolarHBondContact CG2-SD 3.16Å; S75-M79 PolarHBondContact O-N 3.32Å; P76-M79 PolarHBondContact O-N 3.21Å; V77-M79 VanDerWaalsContact C-N 3.31Å; V77-M79 PolarHBondContact O-N 3.03Å; M79-F82 PolarHBondContact O-N 3.19Å; M79-I83 VanDerWaalsContact O-CG1 3.31Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 2.83Å
80A91.3Very high86.5Confident60 Ų6053.3 Ų53.350%0.49633%0.328SS..Hα-helixtrans-63.4-44177.300000111.7P76 V77 F82 I83 L84P76-A80 PolarHBondContact O-N 3.37Å; V77-A80 PolarHBondContact O-N 3.2Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 2.87Å; A80-I83 PolarHBondContact O-N 3.42Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.2Å
81V91.4Very high87.6Confident35 Ų3549.9 Ų49.921%0.21231%0.31CS..Hα-helixtrans-63.4-40.2176.7172.60000111.4L25 V77 G78 L84 G85L25-V81 HydrophobicContact CB-CG1 4.24Å; L25-V81 HydrophobicContact CD2-CG1 4.12Å; L25-V81 WeakPolarHBondContact O-CG1 3.44Å; V77-V81 HydrophobicContact CG1-CG2 4.34Å; V77-V81 WeakPolarHBondContact O-CG2 3.43Å; V77-V81 PolarHBondContact O-N 3.04Å; G78-V81 PolarHBondContact O-N 3.28Å; V81-L84 PolarHBondContact O-N 2.94Å; V81-G85 PolarHBondContact O-N 2.76Å
82F93.7Very high88.8Confident49 Ų4949.8 Ų49.822%0.21531%0.31CS..Hα-helixtrans-62.3-49.6176.2175.7-101000112L26 A30 W34 G78 M79 A80 L84 G85 A86L26-F82 HydrophobicContact CD2-CD2 4.22Å; L26-F82 HydrophobicContact CD2-CE2 3.75Å; L26-F82 HydrophobicContact CG-CD2 4.15Å; L26-F82 HydrophobicContact CG-CE2 3.92Å; A30-F82 HydrophobicContact CB-CD2 3.97Å; A30-F82 HydrophobicContact CB-CE2 4.16Å; W34-F82 HydrophobicContact CH2-CD1 4.42Å; W34-F82 HydrophobicContact CH2-CE1 4.05Å; W34-F82 HydrophobicContact CH2-CE2 4.34Å; W34-F82 HydrophobicContact CH2-CZ 4Å; W34-F82 HydrophobicContact CZ3-CD2 4.28Å; W34-F82 HydrophobicContact CZ3-CE1 4.48Å; W34-F82 AromaticContact CZ3-CE2 3.96Å; W34-F82 HydrophobicContact CZ3-CE2 3.96Å; W34-F82 HydrophobicContact CZ3-CZ 4.07Å; G78-F82 WeakPolarHBondContact O-CB 3.34Å; G78-F82 PolarHBondContact O-N 3.15Å; M79-F82 PolarHBondContact O-N 3.19Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 2.87Å; F82-L84 VanDerWaalsContact C-N 3.32Å; F82-L84 PolarHBondContact O-N 2.69Å; F82-G85 PolarHBondContact O-N 2.78Å; F82-A86 WeakPolarHBondContact O-CB 3.46Å; F82-A86 PolarHBondContact O-N 3.35Å
83I94.7Very high89.9Confident97 Ų9749.9 Ų49.950%0.49731%0.307SS..Hα-helixtrans-60.9-44.7178.3-67.2167000110.1M79 A80 G85 A86 V87M79-I83 VanDerWaalsContact O-CG1 3.31Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 2.83Å; A80-I83 PolarHBondContact O-N 3.42Å; I83-G85 PolarHBondContact O-N 3.05Å; I83-A86 PolarHBondContact O-N 3.43Å; I83-V87 WeakPolarHBondContact O-CG2 3.46Å; I83-V87 PolarHBondContact O-N 3.21Å
84L92.3Very high91Very high93 Ų9350.1 Ų50.149%0.48730%0.298SS..Hα-helixtrans-59.4-47.8176.4-176.966.6000111.4L25 A80 V81 F82 A86 V87 C88L25-L84 HydrophobicContact CD1-CD2 4.41Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.2Å; V81-L84 PolarHBondContact O-N 2.94Å; F82-L84 VanDerWaalsContact C-N 3.32Å; F82-L84 PolarHBondContact O-N 2.69Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 3.45Å; L84-V87 PolarHBondContact O-N 3.4Å; L84-C88 WeakPolarHBondContact O-CB 3.42Å; L84-C88 PolarHBondContact O-N 2.98Å; L84-C88 PolarHBondContact O-SG 3.47Å
85G94.4Very high91.6Very high0 Ų048.3 Ų48.30%029%0.287CS..Hα-helixtrans-60.1-41.6177.300000113G22 V81 F82 I83 T89G22-G85 WeakPolarHBondContact O-CA 3.34Å; V81-G85 PolarHBondContact O-N 2.76Å; F82-G85 PolarHBondContact O-N 2.78Å; I83-G85 PolarHBondContact O-N 3.05Å; G85-T89 VanDerWaalsContact O-CB 3.3Å; G85-T89 WeakPolarHBondContact O-CB 3.38Å; G85-T89 PolarHBondContact O-N 2.92Å; G85-T89 PolarHBondContact O-OG1 2.92Å
86A95.6Very high92.3Very high40 Ų4050.8 Ų50.833%0.33129%0.293SS..Hα-helixtrans-64.1-45.6176.500000112.3L26 F82 I83 L84 T89 G90L26-A86 HydrophobicContact CD1-CB 4.41Å; F82-A86 WeakPolarHBondContact O-CB 3.46Å; F82-A86 PolarHBondContact O-N 3.35Å; I83-A86 PolarHBondContact O-N 3.43Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 3.45Å; A86-T89 PolarHBondContact O-N 3.41Å; A86-G90 PolarHBondContact O-N 3.49Å
87V94Very high92.7Very high72 Ų7248.5 Ų48.544%0.43628%0.278SS..Hα-helixtrans-63.1-48176.71720000110.9I83 L84 T89 G90 I91I83-V87 WeakPolarHBondContact O-CG2 3.46Å; I83-V87 PolarHBondContact O-N 3.21Å; L84-V87 PolarHBondContact O-N 3.4Å; V87-T89 PolarHBondContact O-N 3.47Å; V87-G90 PolarHBondContact O-N 3.16Å; V87-I91 HydrophobicContact CG1-CD1 3.73Å; V87-I91 HydrophobicContact CG1-CG1 4.45Å; V87-I91 WeakPolarHBondContact O-CG1 3.48Å; V87-I91 PolarHBondContact O-N 3.38Å
88C93.2Very high92.9Very high41 Ų4144.6 Ų44.628%0.27726%0.255SS..Hα-helixtrans-59.9-44.3177.9-730000112.1L84 S92L84-C88 WeakPolarHBondContact O-CB 3.42Å; L84-C88 PolarHBondContact O-N 2.98Å; L84-C88 PolarHBondContact O-SG 3.47Å; C88-S92 VanDerWaalsContact O-CB 3.27Å; C88-S92 WeakPolarHBondContact O-CB 3.45Å; C88-S92 PolarHBondContact O-N 3.3Å; C88-S92 PolarHBondContact O-OG 2.88Å
89T95.3Very high92.9Very high22 Ų2244.9 Ų44.914%0.13526%0.257CS..Hα-helixtrans-64.4-46.4178.1-56.80000111.1M19 G22 L23 G85 A86 V87 S92 L93M19-T89 HydrophobicContact CG-CG2 4.43Å; G22-T89 WeakPolarHBondContact CA-OG1 3.22Å; G22-T89 PolarHBondContact O-OG1 3.07Å; L23-T89 HydrophobicContact CD2-CG2 3.76Å; L23-T89 HydrophobicContact CG-CG2 4.06Å; L23-T89 PolarHBondContact N-OG1 2.99Å; G85-T89 VanDerWaalsContact O-CB 3.3Å; G85-T89 WeakPolarHBondContact O-CB 3.38Å; G85-T89 PolarHBondContact O-N 2.92Å; G85-T89 PolarHBondContact O-OG1 2.92Å; A86-T89 PolarHBondContact O-N 3.41Å; V87-T89 PolarHBondContact O-N 3.47Å; T89-S92 PolarHBondContact O-N 3.49Å; T89-L93 WeakPolarHBondContact O-CB 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å
90G94.2Very high92.8Very high29 Ų2944.9 Ų44.930%0.29926%0.263SS..Hα-helixtrans-60.2-49.3179.500000112.5A86 V87 S92 L93 F94A86-G90 PolarHBondContact O-N 3.49Å; V87-G90 PolarHBondContact O-N 3.16Å; G90-S92 PolarHBondContact O-N 3.25Å; G90-L93 PolarHBondContact O-N 3.12Å; G90-F94 WeakPolarHBondContact O-CD2 3.34Å; G90-F94 PolarHBondContact O-N 3.39Å
91I94.4Very high92.6Very high26 Ų2645.9 Ų45.913%0.13327%0.265CS..Hα-helixtrans-61.7-44.4177.4-65.8172.3000110.7V87 L93 F94 G95 Y110 L113 V114V87-I91 HydrophobicContact CG1-CD1 3.73Å; V87-I91 HydrophobicContact CG1-CG1 4.45Å; V87-I91 WeakPolarHBondContact O-CG1 3.48Å; V87-I91 PolarHBondContact O-N 3.38Å; I91-L93 VanDerWaalsContact C-N 3.29Å; I91-L93 PolarHBondContact O-N 3.43Å; I91-F94 PolarHBondContact O-N 2.84Å; I91-G95 PolarHBondContact O-N 3.1Å; I91-Y110 HydrophobicContact CG2-CD2 3.94Å; I91-Y110 HydrophobicContact CG2-CE2 3.86Å; I91-Y110 VanDerWaalsContact O-CD2 3.3Å; I91-Y110 WeakPolarHBondContact O-CD2 3.33Å; I91-L113 HydrophobicContact CG1-CB 4.31Å; I91-L113 HydrophobicContact CG1-CD1 4.3Å; I91-V114 HydrophobicContact CG2-CG2 3.69Å
92S94.4Very high92.3Very high6 Ų647.9 Ų47.94%0.04228%0.275CS..Hα-helixtrans-64.3-33.7-179.3-57.20000112.5S18 C88 T89 G90 G95 Y96S18-S92 VanDerWaalsContact CB-OG 3.28Å; S18-S92 WeakPolarHBondContact CB-OG 3.26Å; C88-S92 VanDerWaalsContact O-CB 3.27Å; C88-S92 WeakPolarHBondContact O-CB 3.45Å; C88-S92 PolarHBondContact O-N 3.3Å; C88-S92 PolarHBondContact O-OG 2.88Å; T89-S92 PolarHBondContact O-N 3.49Å; G90-S92 PolarHBondContact O-N 3.25Å; S92-G95 PolarHBondContact O-N 2.98Å; S92-Y96 WeakPolarHBondContact O-CB 3.38Å; S92-Y96 PolarHBondContact O-N 2.95Å
93L93.8Very high92.1Very high89 Ų8950.8 Ų50.847%0.46629%0.291SS..Hα-helixtrans-64.7-42.1176.4-174.665.4000111.8T89 G90 I91 G95 Y96 C97T89-L93 WeakPolarHBondContact O-CB 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å; G90-L93 PolarHBondContact O-N 3.12Å; I91-L93 VanDerWaalsContact C-N 3.29Å; I91-L93 PolarHBondContact O-N 3.43Å; L93-G95 VanDerWaalsContact C-N 3.35Å; L93-Y96 PolarHBondContact O-N 3.31Å; L93-C97 VanDerWaalsContact O-CB 3.3Å; L93-C97 WeakPolarHBondContact O-CB 3.32Å; L93-C97 PolarHBondContact O-N 3.39Å; L93-C97 PolarHBondContact O-SG 2.63Å
94F92.8Very high91.7Very high80 Ų8050.3 Ų50.335%0.35129%0.285SS..Hα-helixtrans-62.2-42.7174.6-69.9-65.8000111.8G90 I91 G98 L106 L113G90-F94 WeakPolarHBondContact O-CD2 3.34Å; G90-F94 PolarHBondContact O-N 3.39Å; I91-F94 PolarHBondContact O-N 2.84Å; F94-G98 PolarHBondContact O-N 3.1Å; F94-L106 HydrophobicContact CB-CG 4.39Å; F94-L106 HydrophobicContact CD1-CD1 3.58Å; F94-L106 HydrophobicContact CD1-CD2 4.34Å; F94-L106 HydrophobicContact CD1-CG 3.81Å; F94-L106 HydrophobicContact CE1-CD1 4.04Å; F94-L106 WeakPolarHBondContact O-CD2 3.42Å; F94-L113 HydrophobicContact CD2-CD1 4.04Å; F94-L113 HydrophobicContact CE2-CD1 4.4Å
95G91.4Very high91.7Very high0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-63.6-47176.200000112.7I91 S92 L93 G98 A99 Y110I91-G95 PolarHBondContact O-N 3.1Å; S92-G95 PolarHBondContact O-N 2.98Å; L93-G95 VanDerWaalsContact C-N 3.35Å; G95-G98 PolarHBondContact O-N 3.42Å; G95-A99 WeakPolarHBondContact O-CB 3.43Å; G95-A99 PolarHBondContact O-N 3.28Å; G95-Y110 VanDerWaalsContact CA-CD2 3.43Å
96Y92.1Very high91.6Very high85 Ų8554 Ų5433%0.33330%0.304SS..Hα-helixtrans-62.3-53.7178.6179.8-92.7000112.1I12 T16 S92 L93 G98 A99 C100I12-Y96 HydrophobicContact CG2-CD2 4.1Å; I12-Y96 HydrophobicContact CG2-CE2 3.87Å; T16-Y96 WeakPolarHBondContact OG1-CD2 3.39Å; T16-Y96 WeakPolarHBondContact OG1-CE2 3.12Å; S92-Y96 WeakPolarHBondContact O-CB 3.38Å; S92-Y96 PolarHBondContact O-N 2.95Å; L93-Y96 PolarHBondContact O-N 3.31Å; Y96-G98 VanDerWaalsContact C-N 3.28Å; Y96-G98 PolarHBondContact O-N 3.01Å; Y96-A99 PolarHBondContact O-N 2.9Å; Y96-C100 HydrophobicContact CE1-CB 4.37Å; Y96-C100 WeakPolarHBondContact O-CB 3.41Å; Y96-C100 PolarHBondContact O-N 3.12Å
97C91.8Very high91.4Very high41 Ų4152.3 Ų52.328%0.27729%0.289SS..Hα-helixtrans-64.3-34.8179.6-71.10000111.8L93 C101 L106L93-C97 VanDerWaalsContact O-CB 3.3Å; L93-C97 WeakPolarHBondContact O-CB 3.32Å; L93-C97 PolarHBondContact O-N 3.39Å; L93-C97 PolarHBondContact O-SG 2.63Å; C97-C101 VanDerWaalsContact O-CB 3.24Å; C97-C101 WeakPolarHBondContact O-CB 3.21Å; C97-C101 PolarHBondContact O-N 2.89Å; C97-L106 HydrophobicContact CB-CD2 3.32Å
98G90.3Very high91.3Very high2 Ų254.2 Ų54.22%0.02129%0.289CS..Hα-helixtrans-65.3-46.4178.100000111.7F94 G95 Y96 N102 M103F94-G98 PolarHBondContact O-N 3.1Å; G95-G98 PolarHBondContact O-N 3.42Å; Y96-G98 VanDerWaalsContact C-N 3.28Å; Y96-G98 PolarHBondContact O-N 3.01Å; G98-N102 WeakPolarHBondContact O-CA 3.46Å; G98-N102 PolarHBondContact O-N 3.4Å; G98-M103 PolarHBondContact O-N 3.47Å
99A89.3Confident91.4Very high5 Ų555.6 Ų55.64%0.04129%0.293CS..Hα-helixtrans-74.9-40.7-179.700000113.1L11 I12 G95 Y96L11-A99 HydrophobicContact CB-CB 4.34Å; I12-A99 HydrophobicContact CD1-CB 4.32Å; I12-A99 HydrophobicContact CG1-CB 3.63Å; G95-A99 WeakPolarHBondContact O-CB 3.43Å; G95-A99 PolarHBondContact O-N 3.28Å; Y96-A99 PolarHBondContact O-N 2.9Å
100C88.1Confident91.3Very high70 Ų7054.9 Ų54.947%0.47329%0.288SS..Hα-helixtrans-71-49.2-179-174.90000112Y96 N102Y96-C100 HydrophobicContact CE1-CB 4.37Å; Y96-C100 WeakPolarHBondContact O-CB 3.41Å; Y96-C100 PolarHBondContact O-N 3.12Å; C100-N102 VanDerWaalsContact C-N 3.34Å; C100-N102 PolarHBondContact O-N 2.94Å
101C87.7Confident91.4Very high81 Ų8154 Ų5455%0.54728%0.278SS..THydrogen-bonded Turntrans-88.91.9-176.6-570000113.5C97 M103C97-C101 VanDerWaalsContact O-CB 3.24Å; C97-C101 WeakPolarHBondContact O-CB 3.21Å; C97-C101 PolarHBondContact O-N 2.89Å; C101-M103 VanDerWaalsContact C-N 3.27Å; C101-M103 HydrophobicContact CB-CG 3.73Å; C101-M103 PolarHBondContact O-N 3.15Å
102N85.6Confident91.4Very high77 Ų7758.6 Ų58.641%0.41230%0.301SS..THydrogen-bonded Turntrans57.137-176.5-167.118.6000113.7R8 G98 C100 K104R8-N102 VanDerWaalsContact NH1-CG 3.28Å; R8-N102 PolarHBondContact NH1-OD1 3.4Å; R8-N102 PolarHBondContact NH2-ND2 2.66Å; R8-N102 PolarHBondContact NH2-OD1 3.28Å; G98-N102 WeakPolarHBondContact O-CA 3.46Å; G98-N102 PolarHBondContact O-N 3.4Å; C100-N102 VanDerWaalsContact C-N 3.34Å; C100-N102 PolarHBondContact O-N 2.94Å; N102-K104 PolarHBondContact O-N 3.22Å
103M88.5Confident91.5Very high111 Ų11161.4 Ų61.455%0.54732%0.315SS..  trans-92.494.7-176.3-63.7-61.2-77.700110.3G98 C101 I105 L106 L107G98-M103 PolarHBondContact O-N 3.47Å; C101-M103 VanDerWaalsContact C-N 3.27Å; C101-M103 HydrophobicContact CB-CG 3.73Å; C101-M103 PolarHBondContact O-N 3.15Å; M103-I105 VanDerWaalsContact C-N 3.3Å; M103-I105 PolarHBondContact O-N 2.97Å; M103-L106 HydrophobicContact CB-CB 4.01Å; M103-L106 WeakPolarHBondContact O-CB 3.4Å; M103-L106 PolarHBondContact O-N 3.48Å; M103-L107 PolarHBondContact O-N 2.92Å; M103-L107 VanDerWaalsContact O-N 3.13Å
104K87Confident91.5Very high86 Ų8657.3 Ų57.337%0.37429%0.294SS..Hα-helixtrans-52.4-43.5-176.7-66.8-174.7176.4-174.60113.5N102 L106 L107 Y108 D276N102-K104 PolarHBondContact O-N 3.22Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 3.27Å; K104-L107 PolarHBondContact O-N 3.49Å; K104-L107 VanDerWaalsContact O-N 3.15Å; K104-Y108 WeakPolarHBondContact O-CD2 3.24Å; K104-Y108 PolarHBondContact O-N 3.11Å; K104-D276 PolarHBondContact NZ-O 3.23Å
105I91.3Very high91.7Very high130 Ų13054.8 Ų54.867%0.66729%0.29SS*.Hα-helixtrans-58.1-42.2178.9-63.2172.7000110.7M103 L107 Y108 I109M103-I105 VanDerWaalsContact C-N 3.3Å; M103-I105 PolarHBondContact O-N 2.97Å; I105-L107 VanDerWaalsContact C-N 3.34Å; I105-Y108 PolarHBondContact O-N 3.27Å; I105-I109 HydrophobicContact CG2-CD1 4.12Å; I105-I109 WeakPolarHBondContact O-CG1 3.12Å; I105-I109 PolarHBondContact O-N 3.4Å
106L91.9Very high91.9Very high42 Ų4257.6 Ų57.622%0.2231%0.314CS..Hα-helixtrans-68-37.4179.6-142.271.3000111.7F94 C97 M103 K104 I109 Y110F94-L106 HydrophobicContact CB-CG 4.39Å; F94-L106 HydrophobicContact CD1-CD1 3.58Å; F94-L106 HydrophobicContact CD1-CD2 4.34Å; F94-L106 HydrophobicContact CD1-CG 3.81Å; F94-L106 HydrophobicContact CE1-CD1 4.04Å; F94-L106 WeakPolarHBondContact O-CD2 3.42Å; C97-L106 HydrophobicContact CB-CD2 3.32Å; M103-L106 HydrophobicContact CB-CB 4.01Å; M103-L106 WeakPolarHBondContact O-CB 3.4Å; M103-L106 PolarHBondContact O-N 3.48Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 3.27Å; L106-I109 PolarHBondContact O-N 2.81Å; L106-Y110 WeakPolarHBondContact O-CB 3.38Å; L106-Y110 PolarHBondContact O-N 3.32Å
107L91.8Very high92Very high4 Ų456.3 Ų56.32%0.02131%0.312CS..Hα-helixtrans-68.3-36.3177.2-160.162.1000112M103 K104 I105 Y110 A111 T269 T272 I273M103-L107 PolarHBondContact O-N 2.92Å; M103-L107 VanDerWaalsContact O-N 3.13Å; K104-L107 PolarHBondContact O-N 3.49Å; K104-L107 VanDerWaalsContact O-N 3.15Å; I105-L107 VanDerWaalsContact C-N 3.34Å; L107-Y110 HydrophobicContact CD1-CD1 4.24Å; L107-A111 WeakPolarHBondContact O-CB 3.32Å; L107-A111 PolarHBondContact O-N 2.94Å; L107-T269 HydrophobicContact CD1-CG2 3.68Å; L107-T269 HydrophobicContact CG-CG2 3.72Å; L107-T272 HydrophobicContact CD2-CG2 3.96Å; L107-I273 HydrophobicContact CB-CD1 4.32Å; L107-I273 HydrophobicContact CB-CG1 4.19Å; L107-I273 HydrophobicContact CD2-CD1 4.26Å; L107-I273 HydrophobicContact CD2-CG1 3.44Å; L107-I273 VanDerWaalsContact CD2-CG1 3.44Å; L107-I273 HydrophobicContact CG-CD1 3.99Å; L107-I273 HydrophobicContact CG-CG1 3.73Å
108Y93.1Very high92.2Very high112 Ų11254.8 Ų54.844%0.43930%0.302SS..Hα-helixtrans-64.5-46.2171-82.2-67.8000112.2K104 I105 Y110 A111 I112 I273K104-Y108 WeakPolarHBondContact O-CD2 3.24Å; K104-Y108 PolarHBondContact O-N 3.11Å; I105-Y108 PolarHBondContact O-N 3.27Å; Y108-Y110 VanDerWaalsContact C-N 3.32Å; Y108-Y110 PolarHBondContact O-N 2.89Å; Y108-A111 PolarHBondContact O-N 2.84Å; Y108-I112 WeakPolarHBondContact O-CG1 3.33Å; Y108-I112 PolarHBondContact O-N 2.82Å; Y108-I273 HydrophobicContact CD1-CD1 3.92Å; Y108-I273 HydrophobicContact CE1-CD1 4.06Å; Y108-I273 HydrophobicContact CE1-CG2 3.8Å; Y108-I273 HydrophobicContact CE2-CG2 3.92Å; Y108-I273 HydrophobicContact CG-CD1 4.23Å; Y108-I273 VanDerWaalsContact OH-CG2 3.24Å; Y108-I273 WeakPolarHBondContact OH-CG2 3.28Å
109I94.1Very high92.5Very high69 Ų6959.6 Ų59.635%0.35433%0.326SS..Hα-helixtrans-58.9-47.1175.9-68.1167.4000110I105 L106 A111 I112 L113I105-I109 HydrophobicContact CG2-CD1 4.12Å; I105-I109 WeakPolarHBondContact O-CG1 3.12Å; I105-I109 PolarHBondContact O-N 3.4Å; L106-I109 PolarHBondContact O-N 2.81Å; I109-A111 PolarHBondContact O-N 2.79Å; I109-I112 PolarHBondContact O-N 2.93Å; I109-L113 HydrophobicContact CG2-CD1 3.9Å; I109-L113 HydrophobicContact CG2-CG 4.36Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.35Å; I109-L113 PolarHBondContact O-N 2.61Å
110Y94.7Very high92.8Very high8 Ų861.4 Ų61.43%0.03134%0.342CS..Hα-helixtrans-57.4-47.8175.7173-106.4000112.4N15 I91 G95 L106 L107 Y108 I112 L113 V114 V265 T269N15-Y110 PolarHBondContact ND2-OH 3.45Å; N15-Y110 VanDerWaalsContact ND2-OH 3.09Å; N15-Y110 VanDerWaalsContact OD1-CE2 3.23Å; N15-Y110 WeakPolarHBondContact OD1-CE2 3.5Å; N15-Y110 VanDerWaalsContact OD1-CZ 3.27Å; N15-Y110 PolarHBondContact OD1-OH 3.24Å; I91-Y110 HydrophobicContact CG2-CD2 3.94Å; I91-Y110 HydrophobicContact CG2-CE2 3.86Å; I91-Y110 VanDerWaalsContact O-CD2 3.3Å; I91-Y110 WeakPolarHBondContact O-CD2 3.33Å; G95-Y110 VanDerWaalsContact CA-CD2 3.43Å; L106-Y110 WeakPolarHBondContact O-CB 3.38Å; L106-Y110 PolarHBondContact O-N 3.32Å; L107-Y110 HydrophobicContact CD1-CD1 4.24Å; Y108-Y110 VanDerWaalsContact C-N 3.32Å; Y108-Y110 PolarHBondContact O-N 2.89Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.39Å; Y110-L113 PolarHBondContact O-N 2.68Å; Y110-V114 HydrophobicContact CD2-CG2 3.83Å; Y110-V114 HydrophobicContact CE1-CG2 4.17Å; Y110-V114 HydrophobicContact CE2-CG2 3.46Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.46Å; Y110-V114 HydrophobicContact CG-CG2 4.37Å; Y110-V114 WeakPolarHBondContact O-CG2 3.23Å; Y110-V114 PolarHBondContact O-N 3.34Å; Y110-V265 HydrophobicContact CE1-CG1 4.1Å; Y110-V265 WeakPolarHBondContact OH-CG1 3.39Å; Y110-T269 HydrophobicContact CD1-CG2 3.75Å; Y110-T269 HydrophobicContact CE1-CG2 4.15Å; Y110-T269 WeakPolarHBondContact CE1-OG1 3.24Å
111A94.5Very high93Very high10 Ų1060.3 Ų60.38%0.08333%0.329CS..Hα-helixtrans-58.9-41.317800000112.4L107 Y108 I109 G115 T269 L270L107-A111 WeakPolarHBondContact O-CB 3.32Å; L107-A111 PolarHBondContact O-N 2.94Å; Y108-A111 PolarHBondContact O-N 2.84Å; I109-A111 PolarHBondContact O-N 2.79Å; A111-G115 WeakPolarHBondContact O-CA 3.12Å; A111-G115 PolarHBondContact O-N 3.26Å; A111-T269 HydrophobicContact CB-CG2 3.79Å; A111-L270 HydrophobicContact CB-CD2 4.4Å
112I95.7Very high93.5Very high122 Ų12259.7 Ų59.763%0.62632%0.32SS*.Hα-helixtrans-65.2-46.4177.1-67.9165.7000110.6Y108 I109 Y110 G115 A116Y108-I112 WeakPolarHBondContact O-CG1 3.33Å; Y108-I112 PolarHBondContact O-N 2.82Å; I109-I112 PolarHBondContact O-N 2.93Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.39Å; I112-G115 PolarHBondContact O-N 3.45Å; I112-A116 WeakPolarHBondContact O-CB 3.23Å; I112-A116 PolarHBondContact O-N 3.03Å
113L95.4Very high94Very high65 Ų6560.4 Ų60.434%0.3432%0.322SS..Hα-helixtrans-63.8-48-179.6-69.2173.8000112I91 F94 I109 Y110 G115 A116 L117I91-L113 HydrophobicContact CG1-CB 4.31Å; I91-L113 HydrophobicContact CG1-CD1 4.3Å; F94-L113 HydrophobicContact CD2-CD1 4.04Å; F94-L113 HydrophobicContact CE2-CD1 4.4Å; I109-L113 HydrophobicContact CG2-CD1 3.9Å; I109-L113 HydrophobicContact CG2-CG 4.36Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.35Å; I109-L113 PolarHBondContact O-N 2.61Å; Y110-L113 PolarHBondContact O-N 2.68Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-A116 PolarHBondContact O-N 3.07Å; L113-L117 PolarHBondContact O-N 3.45Å
114V95.1Very high94.3Very high4 Ų458.9 Ų58.92%0.02432%0.32CS..Hα-helixtrans-67.3-37.1177.2-178.70000110.8I91 Y110 L117 T118 L262 V265 V266I91-V114 HydrophobicContact CG2-CG2 3.69Å; Y110-V114 HydrophobicContact CD2-CG2 3.83Å; Y110-V114 HydrophobicContact CE1-CG2 4.17Å; Y110-V114 HydrophobicContact CE2-CG2 3.46Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.46Å; Y110-V114 HydrophobicContact CG-CG2 4.37Å; Y110-V114 WeakPolarHBondContact O-CG2 3.23Å; Y110-V114 PolarHBondContact O-N 3.34Å; V114-L117 PolarHBondContact O-N 3.42Å; V114-T118 WeakPolarHBondContact O-CB 3.45Å; V114-T118 PolarHBondContact O-N 2.9Å; V114-T118 PolarHBondContact O-OG1 3.47Å; V114-L262 HydrophobicContact CG1-CB 4.49Å; V114-L262 HydrophobicContact CG1-CD2 4.09Å; V114-V265 HydrophobicContact CG1-CG1 4.26Å; V114-V266 HydrophobicContact CB-CG2 4.06Å; V114-V266 HydrophobicContact CG1-CG2 3.61Å
115G95.9Very high94.7Very high26 Ų2656.2 Ų56.227%0.26831%0.308SS..Hα-helixtrans-61.2-44.8174.100000112.5A111 I112 L113 L117 T118 L119A111-G115 WeakPolarHBondContact O-CA 3.12Å; A111-G115 PolarHBondContact O-N 3.26Å; I112-G115 PolarHBondContact O-N 3.45Å; L113-G115 VanDerWaalsContact C-N 3.34Å; G115-L117 VanDerWaalsContact C-N 3.35Å; G115-L117 PolarHBondContact O-N 2.82Å; G115-T118 WeakPolarHBondContact O-CB 3.27Å; G115-T118 PolarHBondContact O-N 3.26Å; G115-L119 PolarHBondContact O-N 3.28Å
116A96.1Very high94.9Very high59 Ų5952.6 Ų52.649%0.48830%0.295SS..Hα-helixtrans-62-42174.600000111.9I112 L113 L119 A120I112-A116 WeakPolarHBondContact O-CB 3.23Å; I112-A116 PolarHBondContact O-N 3.03Å; L113-A116 PolarHBondContact O-N 3.07Å; A116-L119 PolarHBondContact O-N 3.33Å; A116-A120 PolarHBondContact O-N 3.38Å
117L94.2Very high95.1Very high59 Ų5954.5 Ų54.531%0.30931%0.307SS..Hα-helixtrans-63.1-43.7174.9-171.264.2000111.6L113 V114 G115 L119 A120 F121 L262L113-L117 PolarHBondContact O-N 3.45Å; V114-L117 PolarHBondContact O-N 3.42Å; G115-L117 VanDerWaalsContact C-N 3.35Å; G115-L117 PolarHBondContact O-N 2.82Å; L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 3.26Å; L117-A120 WeakPolarHBondContact O-CB 3.39Å; L117-A120 PolarHBondContact O-N 3.38Å; L117-A120 VanDerWaalsContact O-N 3.15Å; L117-F121 HydrophobicContact CD1-CD2 4.08Å; L117-F121 HydrophobicContact CD1-CE2 3.72Å; L117-F121 HydrophobicContact CD2-CE2 4.47Å; L117-F121 HydrophobicContact CG-CD2 4.07Å; L117-F121 HydrophobicContact CG-CE2 3.88Å; L117-F121 VanDerWaalsContact O-CD2 3.26Å; L117-F121 WeakPolarHBondContact O-CD2 3.3Å; L117-F121 PolarHBondContact O-N 2.68Å; L117-L262 HydrophobicContact CD2-CD1 4.15Å; L117-L262 HydrophobicContact CD2-CD2 4.42Å; L117-L262 HydrophobicContact CG-CD1 4.18Å
118T96Very high95.3Very high9 Ų954.9 Ų54.96%0.05531%0.309CS..Hα-helixtrans-58.3-43.6177-560000111V114 G115 F121 L122 F259 L262 L263V114-T118 WeakPolarHBondContact O-CB 3.45Å; V114-T118 PolarHBondContact O-N 2.9Å; V114-T118 PolarHBondContact O-OG1 3.47Å; G115-T118 WeakPolarHBondContact O-CB 3.27Å; G115-T118 PolarHBondContact O-N 3.26Å; T118-F121 PolarHBondContact O-N 3.46Å; T118-L122 PolarHBondContact O-N 3.05Å; T118-F259 HydrophobicContact CG2-CD2 3.64Å; T118-F259 HydrophobicContact CG2-CE2 3.5Å; T118-F259 WeakPolarHBondContact O-CD2 3.43Å; T118-L262 HydrophobicContact CG2-CB 4.48Å; T118-L262 WeakPolarHBondContact OG1-CB 3.12Å; T118-L263 HydrophobicContact CG2-CB 4.29Å; T118-L263 HydrophobicContact CG2-CD1 4.41Å
119L96.3Very high95.4Very high102 Ų10253.3 Ų53.353%0.53430%0.304SS..Hα-helixtrans-65.2-41.9175.8-17762000112G115 A116 L117 F121 L122 I123G115-L119 PolarHBondContact O-N 3.28Å; A116-L119 PolarHBondContact O-N 3.33Å; L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 3.26Å; L119-F121 VanDerWaalsContact C-N 3.31Å; L119-F121 PolarHBondContact O-N 3.15Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.06Å; L119-I123 HydrophobicContact CD1-CD1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.03Å; L119-I123 WeakPolarHBondContact O-CG1 3.5Å; L119-I123 PolarHBondContact O-N 3.41Å
120A95.3Very high95.6Very high44 Ų4454.6 Ų54.636%0.36432%0.32SS..Hα-helixtrans-60.6-40.8176.500000112A116 L117 I123 T124A116-A120 PolarHBondContact O-N 3.38Å; L117-A120 WeakPolarHBondContact O-CB 3.39Å; L117-A120 PolarHBondContact O-N 3.38Å; L117-A120 VanDerWaalsContact O-N 3.15Å; A120-I123 PolarHBondContact O-N 3.32Å; A120-T124 WeakPolarHBondContact O-CB 3.29Å; A120-T124 PolarHBondContact O-N 3.3Å; A120-T124 PolarHBondContact O-OG1 2.78Å
121F93.7Very high95.7Very high47 Ų4760 Ų6021%0.20634%0.34CS..Hα-helixtrans-62.9-46.6174.6-88.4-116000111.6L117 T118 L119 I123 T124 F125 L255 A258 F259 L262L117-F121 HydrophobicContact CD1-CD2 4.08Å; L117-F121 HydrophobicContact CD1-CE2 3.72Å; L117-F121 HydrophobicContact CD2-CE2 4.47Å; L117-F121 HydrophobicContact CG-CD2 4.07Å; L117-F121 HydrophobicContact CG-CE2 3.88Å; L117-F121 VanDerWaalsContact O-CD2 3.26Å; L117-F121 WeakPolarHBondContact O-CD2 3.3Å; L117-F121 PolarHBondContact O-N 2.68Å; T118-F121 PolarHBondContact O-N 3.46Å; L119-F121 VanDerWaalsContact C-N 3.31Å; L119-F121 PolarHBondContact O-N 3.15Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.25Å; F121-T124 PolarHBondContact O-N 3.43Å; F121-T124 VanDerWaalsContact O-N 3.14Å; F121-F125 WeakPolarHBondContact O-CD1 3.47Å; F121-F125 PolarHBondContact O-N 3.48Å; F121-F125 VanDerWaalsContact O-N 3.07Å; F121-L255 HydrophobicContact CD1-CB 4.2Å; F121-L255 HydrophobicContact CD1-CD2 3.78Å; F121-L255 HydrophobicContact CE1-CD2 3.37Å; F121-L255 HydrophobicContact CZ-CD2 4.14Å; F121-A258 HydrophobicContact CD1-CB 4.16Å; F121-A258 HydrophobicContact CE1-CB 3.76Å; F121-F259 HydrophobicContact CB-CB 4.33Å; F121-L262 HydrophobicContact CD2-CD1 4.26Å; F121-L262 HydrophobicContact CE2-CD1 4.34Å; F121-L262 HydrophobicContact CG-CD1 4.37Å
122L96.6Very high95.7Very high68 Ų6862.3 Ų62.336%0.35635%0.348SS..Hα-helixtrans-54.5-48.6176.8-174.9149.1000111.7T118 L119 F125 S126 F259T118-L122 PolarHBondContact O-N 3.05Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.06Å; L122-F125 VanDerWaalsContact CA-CE1 3.44Å; L122-F125 HydrophobicContact CB-CE1 4.35Å; L122-F125 HydrophobicContact CG-CZ 4.32Å; L122-S126 WeakPolarHBondContact O-CB 3.31Å; L122-S126 PolarHBondContact O-N 3.07Å; L122-S126 PolarHBondContact O-OG 3Å; L122-F259 HydrophobicContact CB-CD2 4.11Å; L122-F259 HydrophobicContact CB-CE2 3.82Å; L122-F259 HydrophobicContact CD1-CE2 3.77Å; L122-F259 HydrophobicContact CD1-CZ 3.81Å; L122-F259 HydrophobicContact CG-CE2 4.31Å
123I97.1Very high95.7Very high91 Ų9161.3 Ų61.347%0.46734%0.344SS..Hα-helixtrans-63.3-45.9177.9-64.8165.8000110.3L119 A120 F121 S126 V127L119-I123 HydrophobicContact CD1-CD1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.03Å; L119-I123 WeakPolarHBondContact O-CG1 3.5Å; L119-I123 PolarHBondContact O-N 3.41Å; A120-I123 PolarHBondContact O-N 3.32Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.25Å; I123-S126 PolarHBondContact O-N 3.07Å; I123-V127 HydrophobicContact CG2-CG2 4.09Å; I123-V127 WeakPolarHBondContact O-CB 3.27Å; I123-V127 VanDerWaalsContact O-CG2 3.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.41Å; I123-V127 PolarHBondContact O-N 2.85Å
124T94.6Very high95.7Very high79 Ų7963.2 Ų63.249%0.48535%0.351SS..Hα-helixtrans-59.9-54.3-174.7-59.60000112.4A120 F121 S126 Y128 L255A120-T124 WeakPolarHBondContact O-CB 3.29Å; A120-T124 PolarHBondContact O-N 3.3Å; A120-T124 PolarHBondContact O-OG1 2.78Å; F121-T124 PolarHBondContact O-N 3.43Å; F121-T124 VanDerWaalsContact O-N 3.14Å; T124-S126 VanDerWaalsContact C-N 3.33Å; T124-S126 PolarHBondContact O-N 3.25Å; T124-Y128 WeakPolarHBondContact O-CB 3.48Å; T124-Y128 PolarHBondContact O-N 3.07Å; T124-L255 HydrophobicContact CG2-CD1 4.13Å
125F94.7Very high95.7Very high30 Ų3065.6 Ų65.613%0.13236%0.363CS..Hα-helixtrans-69.9-32.8-179.373-109.6000111.7F121 L122 Y128 F129 I256 F259F121-F125 WeakPolarHBondContact O-CD1 3.47Å; F121-F125 PolarHBondContact O-N 3.48Å; F121-F125 VanDerWaalsContact O-N 3.07Å; L122-F125 VanDerWaalsContact CA-CE1 3.44Å; L122-F125 HydrophobicContact CB-CE1 4.35Å; L122-F125 HydrophobicContact CG-CZ 4.32Å; F125-Y128 PolarHBondContact O-N 2.97Å; F125-F129 HydrophobicContact CB-CE2 4.5Å; F125-F129 HydrophobicContact CD2-CD2 4.38Å; F125-F129 WeakPolarHBondContact O-CD2 3.28Å; F125-F129 PolarHBondContact O-N 3.36Å; F125-I256 HydrophobicContact CB-CG1 4.36Å; F125-I256 HydrophobicContact CD1-CG1 3.98Å; F125-I256 HydrophobicContact CD2-CD1 4.3Å; F125-I256 HydrophobicContact CD2-CG1 3.93Å; F125-I256 HydrophobicContact CE1-CG1 4.22Å; F125-I256 HydrophobicContact CE2-CG1 4.23Å; F125-I256 HydrophobicContact CG-CG1 3.84Å; F125-I256 HydrophobicContact CZ-CG1 4.38Å; F125-F259 HydrophobicContact CE1-CB 4.1Å; F125-F259 HydrophobicContact CE1-CD1 4.3Å; F125-F259 HydrophobicContact CE1-CD2 4.35Å; F125-F259 AromaticContact CE1-CG 3.99Å; F125-F259 HydrophobicContact CE1-CG 3.99Å
126S95.6Very high95.7Very high55 Ų5564.3 Ų64.339%0.38535%0.35SS..Hα-helixtrans-64.7-45.7177.7-60.90000111.5L122 I123 T124 Y128 F129 S130L122-S126 WeakPolarHBondContact O-CB 3.31Å; L122-S126 PolarHBondContact O-N 3.07Å; L122-S126 PolarHBondContact O-OG 3Å; I123-S126 PolarHBondContact O-N 3.07Å; T124-S126 VanDerWaalsContact C-N 3.33Å; T124-S126 PolarHBondContact O-N 3.25Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; S126-F129 PolarHBondContact O-N 2.89Å; S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 2.91Å
127V96.8Very high95.8Very high81 Ų8164.9 Ų64.949%0.49135%0.345SS..Hα-helixtrans-63-42.6175.1171.30000110.5I123 S130 R131I123-V127 HydrophobicContact CG2-CG2 4.09Å; I123-V127 WeakPolarHBondContact O-CB 3.27Å; I123-V127 VanDerWaalsContact O-CG2 3.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.41Å; I123-V127 PolarHBondContact O-N 2.85Å; V127-S130 PolarHBondContact O-N 3.4Å; V127-R131 HydrophobicContact CG1-CG 4.41Å; V127-R131 WeakPolarHBondContact O-CB 3.22Å; V127-R131 WeakPolarHBondContact O-CG 3.38Å; V127-R131 PolarHBondContact O-N 2.97Å
128Y96.3Very high95.9Very high13 Ų1369.4 Ų69.45%0.05136%0.358CS..Hα-helixtrans-56.4-53.9176.8169.7-100.3000112.1T124 F125 S126 S130 R131 K132 I135 L245 M248 D249 A252T124-Y128 WeakPolarHBondContact O-CB 3.48Å; T124-Y128 PolarHBondContact O-N 3.07Å; F125-Y128 PolarHBondContact O-N 2.97Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; Y128-S130 VanDerWaalsContact C-N 3.29Å; Y128-S130 PolarHBondContact O-N 3.3Å; Y128-R131 CarbonylContact O-C 3.02Å; Y128-R131 PolarHBondContact O-N 3.01Å; Y128-K132 VanDerWaalsContact O-CA 3.3Å; Y128-K132 WeakPolarHBondContact O-CA 3.33Å; Y128-K132 PolarHBondContact O-N 2.87Å; Y128-I135 HydrophobicContact CD2-CD1 3.76Å; Y128-I135 HydrophobicContact CE2-CD1 4.48Å; Y128-L245 PolarHBondContact OH-O 2.85Å; Y128-M248 HydrophobicContact CD2-CE 4.07Å; Y128-M248 HydrophobicContact CE2-CB 3.59Å; Y128-M248 HydrophobicContact CE2-CE 3.95Å; Y128-M248 HydrophobicContact CE2-CG 4.39Å; Y128-M248 VanDerWaalsContact OH-CB 3.23Å; Y128-M248 WeakPolarHBondContact OH-CB 3.38Å; Y128-D249 PolarHBondContact OH-N 3.17Å; Y128-D249 PolarHBondContact OH-OD1 3.29Å; Y128-D249 VanDerWaalsContact OH-OD1 3.07Å; Y128-A252 HydrophobicContact CD1-CB 3.49Å; Y128-A252 VanDerWaalsContact CD1-CB 3.49Å; Y128-A252 HydrophobicContact CE1-CB 3.56Å; Y128-A252 HydrophobicContact CG-CB 4.41Å
129F95.6Very high95.8Very high79 Ų7969.7 Ų69.735%0.34636%0.361SS..Hα-helixtrans-65.9-33-179.2-77.3-65.6000112.4F125 S126 A252 Y253 I256F125-F129 HydrophobicContact CB-CE2 4.5Å; F125-F129 HydrophobicContact CD2-CD2 4.38Å; F125-F129 WeakPolarHBondContact O-CD2 3.28Å; F125-F129 PolarHBondContact O-N 3.36Å; S126-F129 PolarHBondContact O-N 2.89Å; F129-A252 HydrophobicContact CE2-CB 3.76Å; F129-A252 HydrophobicContact CZ-CB 3.66Å; F129-Y253 HydrophobicContact CZ-CD1 4.32Å; F129-Y253 AromaticContact CZ-CE1 4Å; F129-Y253 HydrophobicContact CZ-CE1 4Å; F129-I256 HydrophobicContact CE2-CD1 3.79Å; F129-I256 HydrophobicContact CZ-CD1 4.41Å
130S97.5Very high95.9Very high96 Ų9665 Ų6567%0.67134%0.336SS*.Hα-helixtrans-70.5-30176.1177.40000113.4S126 V127 Y128S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 2.91Å; V127-S130 PolarHBondContact O-N 3.4Å; Y128-S130 VanDerWaalsContact C-N 3.29Å; Y128-S130 PolarHBondContact O-N 3.3Å
131R96Very high96Very high120 Ų12066 Ų6645%0.45334%0.336SS..THydrogen-bonded Turntrans-120.823.6-172.3-53.7-68-81.3-85.7-6.2112.6V127 Y128 D133 E134 I135V127-R131 HydrophobicContact CG1-CG 4.41Å; V127-R131 WeakPolarHBondContact O-CB 3.22Å; V127-R131 WeakPolarHBondContact O-CG 3.38Å; V127-R131 PolarHBondContact O-N 2.97Å; Y128-R131 CarbonylContact O-C 3.02Å; Y128-R131 PolarHBondContact O-N 3.01Å; R131-D133 VanDerWaalsContact C-N 3.34Å; R131-D133 PolarHBondContact O-N 3.42Å; R131-E134 IonicContact CZ-OE1 3.22Å; R131-E134 IonicContact CZ-OE2 3.59Å; R131-E134 VanDerWaalsContact CZ-OE2 3.22Å; R131-E134 IonicContact NE-OE1 2.85Å; R131-E134 PolarHBondContact NE-OE1 3.12Å; R131-E134 IonicContact NE-OE2 2.82Å; R131-E134 PolarHBondContact NE-OE2 2.97Å; R131-E134 IonicContact NH2-OE1 2.74Å; R131-E134 IonicContact NH2-OE2 3.71Å; R131-E134 PolarHBondContact NH2-OE2 3.37Å; R131-E134 PolarHBondContact O-N 2.93Å; R131-E134 VanDerWaalsContact O-N 3.12Å; R131-I135 HydrophobicContact CB-CD1 4.48Å; R131-I135 WeakPolarHBondContact O-CG1 3.43Å; R131-I135 PolarHBondContact O-N 2.87Å
132K95.2Very high96.1Very high59 Ų5968.7 Ų68.726%0.25735%0.352SS..Hα-helixtrans-53.6-48.2-172.1-175.3175.6174.5173.50112.5Y128 E134 I135 G136 L245 D249Y128-K132 VanDerWaalsContact O-CA 3.3Å; Y128-K132 WeakPolarHBondContact O-CA 3.33Å; Y128-K132 PolarHBondContact O-N 2.87Å; K132-E134 PolarHBondContact O-N 3.47Å; K132-I135 PolarHBondContact O-N 3.41Å; K132-G136 PolarHBondContact O-N 2.96Å; K132-L245 HydrophobicContact CG-CD1 4.34Å; K132-L245 HydrophobicContact CG-CD2 3.64Å; K132-L245 WeakPolarHBondContact O-CD2 3.14Å; K132-D249 WeakPolarHBondContact CE-OD1 3.36Å; K132-D249 WeakPolarHBondContact CE-OD2 3.23Å; K132-D249 IonicContact NZ-OD1 3.63Å; K132-D249 PolarHBondContact NZ-OD1 3.25Å; K132-D249 IonicContact NZ-OD2 2.87Å; K132-D249 PolarHBondContact NZ-OD2 3.48Å
133D95.2Very high96.1Very high102 Ų10265.7 Ų65.755%0.54534%0.336SS..Hα-helixtrans-63.2-40.3179.5-85.5-60.9000113.7R131 G136 N137 K241R131-D133 VanDerWaalsContact C-N 3.34Å; R131-D133 PolarHBondContact O-N 3.42Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-N137 WeakPolarHBondContact O-CB 3.18Å; D133-N137 PolarHBondContact O-N 2.98Å; D133-N137 PolarHBondContact O-ND2 3.19Å; D133-N137 PolarHBondContact O-OD1 3.28Å; D133-K241 WeakPolarHBondContact OD1-CE 3.4Å; D133-K241 IonicContact OD1-NZ 2.69Å; D133-K241 PolarHBondContact OD1-NZ 3.43Å
134E96.6Very high96.1Very high105 Ų10563.8 Ų63.849%0.49133%0.325SS..Hα-helixtrans-65.7-42.6177.8-70176.6-142.700111.4R131 K132 G136 N137 R138R131-E134 IonicContact CZ-OE1 3.22Å; R131-E134 IonicContact CZ-OE2 3.59Å; R131-E134 VanDerWaalsContact CZ-OE2 3.22Å; R131-E134 IonicContact NE-OE1 2.85Å; R131-E134 PolarHBondContact NE-OE1 3.12Å; R131-E134 IonicContact NE-OE2 2.82Å; R131-E134 PolarHBondContact NE-OE2 2.97Å; R131-E134 IonicContact NH2-OE1 2.74Å; R131-E134 IonicContact NH2-OE2 3.71Å; R131-E134 PolarHBondContact NH2-OE2 3.37Å; R131-E134 PolarHBondContact O-N 2.93Å; R131-E134 VanDerWaalsContact O-N 3.12Å; K132-E134 PolarHBondContact O-N 3.47Å; E134-G136 VanDerWaalsContact C-N 3.33Å; E134-N137 PolarHBondContact O-N 3.38Å; E134-R138 WeakPolarHBondContact O-CB 3.2Å; E134-R138 PolarHBondContact O-N 3.49Å
135I94.5Very high96.2Very high53 Ų5363.4 Ų63.427%0.27232%0.323SS..Hα-helixtrans-64.2-41.9176.5-60.6170000110Y128 R131 K132 R138 A139 F244Y128-I135 HydrophobicContact CD2-CD1 3.76Å; Y128-I135 HydrophobicContact CE2-CD1 4.48Å; R131-I135 HydrophobicContact CB-CD1 4.48Å; R131-I135 WeakPolarHBondContact O-CG1 3.43Å; R131-I135 PolarHBondContact O-N 2.87Å; K132-I135 PolarHBondContact O-N 3.41Å; I135-R138 WeakPolarHBondContact O-CB 3.24Å; I135-R138 PolarHBondContact O-N 3.28Å; I135-A139 PolarHBondContact O-N 3.19Å; I135-A139 VanDerWaalsContact O-N 3.1Å; I135-F244 HydrophobicContact CG2-CE1 3.95Å; I135-F244 HydrophobicContact CG2-CZ 4.29Å
136G96.6Very high96.2Very high0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-60.2-44173.600000112.5K132 D133 E134 R138 A139 I140K132-G136 PolarHBondContact O-N 2.96Å; D133-G136 PolarHBondContact O-N 3.28Å; E134-G136 VanDerWaalsContact C-N 3.33Å; G136-R138 VanDerWaalsContact C-N 3.32Å; G136-R138 PolarHBondContact O-N 3.1Å; G136-A139 WeakPolarHBondContact O-CB 3.43Å; G136-A139 PolarHBondContact O-N 3.23Å; G136-I140 PolarHBondContact O-N 2.88Å
137N97.4Very high96.3Very high71 Ų7160 Ų6038%0.3830%0.303SS..Hα-helixtrans-65.3-36.1175.6-66.8-14.8000111.7D133 E134 A139 I140 D141 K241D133-N137 WeakPolarHBondContact O-CB 3.18Å; D133-N137 PolarHBondContact O-N 2.98Å; D133-N137 PolarHBondContact O-ND2 3.19Å; D133-N137 PolarHBondContact O-OD1 3.28Å; E134-N137 PolarHBondContact O-N 3.38Å; N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.03Å; N137-I140 CarbonylContact O-C 3.55Å; N137-I140 WeakPolarHBondContact O-CA 3.47Å; N137-I140 WeakPolarHBondContact O-CB 3.42Å; N137-I140 PolarHBondContact O-N 2.99Å; N137-D141 PolarHBondContact O-N 2.84Å; N137-K241 PolarHBondContact OD1-NZ 2.85Å
138R95.7Very high96.3Very high154 Ų15461.2 Ų61.258%0.58130%0.301SS*.Hα-helixtrans-62.3-37175.7-169.961.7175.1164.11.7112.2E134 I135 G136 I140 D141 L142E134-R138 WeakPolarHBondContact O-CB 3.2Å; E134-R138 PolarHBondContact O-N 3.49Å; I135-R138 WeakPolarHBondContact O-CB 3.24Å; I135-R138 PolarHBondContact O-N 3.28Å; G136-R138 VanDerWaalsContact C-N 3.32Å; G136-R138 PolarHBondContact O-N 3.1Å; R138-I140 VanDerWaalsContact C-N 3.3Å; R138-D141 IonicContact NH1-OD2 3.66Å; R138-D141 PolarHBondContact O-N 2.85Å; R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.06Å
139A95.5Very high96.3Very high15 Ų1563.6 Ų63.612%0.12432%0.315CS..Hα-helixtrans-63.2-38.1172.600000111.7I135 G136 N137 F143 F244I135-A139 PolarHBondContact O-N 3.19Å; I135-A139 VanDerWaalsContact O-N 3.1Å; G136-A139 WeakPolarHBondContact O-CB 3.43Å; G136-A139 PolarHBondContact O-N 3.23Å; N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.03Å; A139-F143 PolarHBondContact O-N 3.44Å; A139-F244 HydrophobicContact CB-CD1 3.78Å; A139-F244 HydrophobicContact CB-CD2 3.92Å; A139-F244 HydrophobicContact CB-CE1 3.86Å; A139-F244 HydrophobicContact CB-CE2 3.99Å; A139-F244 HydrophobicContact CB-CG 3.82Å; A139-F244 HydrophobicContact CB-CZ 3.96Å
140I97.9Very high96.2Very high2 Ų259.8 Ų59.81%0.0130%0.298CS..Hα-helixtrans-64.9-44173.2-58.5-49.1000111.5G136 N137 R138 L142 F143 E144 V175 R237 L240 K241G136-I140 PolarHBondContact O-N 2.88Å; N137-I140 CarbonylContact O-C 3.55Å; N137-I140 WeakPolarHBondContact O-CA 3.47Å; N137-I140 WeakPolarHBondContact O-CB 3.42Å; N137-I140 PolarHBondContact O-N 2.99Å; R138-I140 VanDerWaalsContact C-N 3.3Å; I140-L142 VanDerWaalsContact C-N 3.3Å; I140-L142 PolarHBondContact O-N 3.2Å; I140-F143 CarbonylContact O-C 3.57Å; I140-F143 PolarHBondContact O-N 3.49Å; I140-F143 VanDerWaalsContact O-N 3.15Å; I140-E144 WeakPolarHBondContact O-CB 3.45Å; I140-E144 PolarHBondContact O-N 3.15Å; I140-V175 HydrophobicContact CG2-CG1 3.9Å; I140-R237 WeakPolarHBondContact CD1-O 3.31Å; I140-R237 HydrophobicContact CG2-CG 4.2Å; I140-L240 HydrophobicContact CD1-CB 3.78Å; I140-L240 HydrophobicContact CD1-CD2 3.69Å; I140-L240 HydrophobicContact CD1-CG 3.71Å; I140-K241 HydrophobicContact CD1-CB 4.02Å; I140-K241 HydrophobicContact CG1-CB 4.15Å
141D97.6Very high96.1Very high67 Ų6757.6 Ų57.636%0.35828%0.277SS..Hα-helixtrans-62-38.1179-63.4-19.9000112.3N137 R138 E144 T145N137-D141 PolarHBondContact O-N 2.84Å; R138-D141 IonicContact NH1-OD2 3.66Å; R138-D141 PolarHBondContact O-N 2.85Å; D141-E144 PolarHBondContact O-N 3.12Å; D141-T145 PolarHBondContact O-N 2.89Å; D141-T145 PolarHBondContact O-OG1 2.94Å
142L95.7Very high95.9Very high102 Ų10251.9 Ų51.953%0.53426%0.256SS..Hα-helixtrans-65.1-44.2174.7-70.6173.5000110.8R138 I140 E144 T145 S146R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.06Å; I140-L142 VanDerWaalsContact C-N 3.3Å; I140-L142 PolarHBondContact O-N 3.2Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-T145 WeakPolarHBondContact O-CB 3.35Å; L142-T145 PolarHBondContact O-N 3.31Å; L142-S146 PolarHBondContact O-N 3.4Å; L142-S146 VanDerWaalsContact O-N 3.12Å
143F96.8Very high95.4Very high6 Ų651.8 Ų51.83%0.02626%0.257CS..Hα-helixtrans-64.3-39.5175.2-174.9-109.3000112.3A139 I140 T145 S146 V147 V162 V163 I166 V175 C236 L240A139-F143 PolarHBondContact O-N 3.44Å; I140-F143 CarbonylContact O-C 3.57Å; I140-F143 PolarHBondContact O-N 3.49Å; I140-F143 VanDerWaalsContact O-N 3.15Å; F143-T145 VanDerWaalsContact C-N 3.27Å; F143-T145 PolarHBondContact O-N 3.11Å; F143-S146 CarbonylContact O-C 3.49Å; F143-S146 PolarHBondContact O-N 3.37Å; F143-S146 VanDerWaalsContact O-N 3.1Å; F143-V147 HydrophobicContact CD1-CG2 4.06Å; F143-V147 HydrophobicContact CE1-CG2 3.67Å; F143-V147 HydrophobicContact CZ-CG2 3.93Å; F143-V147 WeakPolarHBondContact O-CG2 3.44Å; F143-V147 PolarHBondContact O-N 2.94Å; F143-V162 HydrophobicContact CD2-CG1 4.06Å; F143-V162 HydrophobicContact CE2-CG1 4.44Å; F143-V163 HydrophobicContact CE2-CG2 4.18Å; F143-I166 HydrophobicContact CD2-CB 4.42Å; F143-I166 HydrophobicContact CD2-CD1 3.73Å; F143-I166 HydrophobicContact CD2-CG2 4.21Å; F143-I166 HydrophobicContact CE2-CB 3.78Å; F143-I166 HydrophobicContact CE2-CD1 3.95Å; F143-I166 HydrophobicContact CE2-CG1 4.44Å; F143-I166 HydrophobicContact CE2-CG2 3.69Å; F143-I166 HydrophobicContact CZ-CB 4.44Å; F143-I166 HydrophobicContact CZ-CG2 4.04Å; F143-V175 HydrophobicContact CD1-CG2 4.1Å; F143-C236 HydrophobicContact CD1-CB 4.28Å; F143-C236 HydrophobicContact CE1-CB 3.62Å; F143-C236 HydrophobicContact CZ-CB 4.25Å; F143-L240 HydrophobicContact CB-CD2 3.53Å; F143-L240 HydrophobicContact CD1-CD2 3.68Å; F143-L240 HydrophobicContact CD2-CD2 4.05Å; F143-L240 HydrophobicContact CE1-CD2 4.42Å; F143-L240 HydrophobicContact CG-CD2 3.47Å; F143-L240 VanDerWaalsContact CG-CD2 3.47Å
144E97.3Very high94.9Very high50 Ų5049.7 Ų49.723%0.23425%0.254CS..Hα-helixtrans-59.8-39.3174.3-175.4173.4152.800111.8I140 D141 L142 S146 V147 K148 V175I140-E144 WeakPolarHBondContact O-CB 3.45Å; I140-E144 PolarHBondContact O-N 3.15Å; D141-E144 PolarHBondContact O-N 3.12Å; L142-E144 VanDerWaalsContact C-N 3.35Å; E144-S146 VanDerWaalsContact C-N 3.34Å; E144-V147 PolarHBondContact O-N 3.22Å; E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 WeakPolarHBondContact O-CG 3.35Å; E144-K148 PolarHBondContact O-N 2.95Å; E144-K148 VanDerWaalsContact OE1-CE 3.27Å; E144-K148 WeakPolarHBondContact OE1-CE 3.38Å; E144-K148 IonicContact OE1-NZ 3.35Å; E144-K148 PolarHBondContact OE1-NZ 3.5Å; E144-V175 VanDerWaalsContact CA-CG2 3.49Å; E144-V175 HydrophobicContact CB-CG2 3.64Å; E144-V175 HydrophobicContact CG-CG2 3.9Å
145T96.3Very high94.3Very high72 Ų7245.9 Ų45.944%0.44224%0.24SC..Hα-helixtrans-61.9-43.8174.1-56.30000110.8D141 L142 F143 K148 N149D141-T145 PolarHBondContact O-N 2.89Å; D141-T145 PolarHBondContact O-OG1 2.94Å; L142-T145 WeakPolarHBondContact O-CB 3.35Å; L142-T145 PolarHBondContact O-N 3.31Å; F143-T145 VanDerWaalsContact C-N 3.27Å; F143-T145 PolarHBondContact O-N 3.11Å; T145-K148 PolarHBondContact O-N 2.82Å; T145-N149 WeakPolarHBondContact O-CB 3.08Å; T145-N149 PolarHBondContact O-N 3.45Å; T145-N149 PolarHBondContact O-ND2 3.18Å
146S95.1Very high93.4Very high12 Ų1247.4 Ų47.48%0.08425%0.249CC..Hα-helixtrans-67.7-34176-640000113.4L142 F143 E144 N149 Y150 D159L142-S146 PolarHBondContact O-N 3.4Å; L142-S146 VanDerWaalsContact O-N 3.12Å; F143-S146 CarbonylContact O-C 3.49Å; F143-S146 PolarHBondContact O-N 3.37Å; F143-S146 VanDerWaalsContact O-N 3.1Å; E144-S146 VanDerWaalsContact C-N 3.34Å; S146-N149 CarbonylContact O-C 3.41Å; S146-N149 PolarHBondContact O-N 3.04Å; S146-Y150 WeakPolarHBondContact O-CB 3.36Å; S146-Y150 PolarHBondContact O-N 2.85Å; S146-D159 VanDerWaalsContact CA-OD1 3.27Å; S146-D159 WeakPolarHBondContact CA-OD1 3.25Å; S146-D159 WeakPolarHBondContact CB-OD1 3.45Å; S146-D159 PolarHBondContact OG-OD1 3.37Å
147V96.6Very high92.8Very high1 Ų149 Ų491%0.00626%0.259CS..Hα-helixtrans-63.7-42.9171.9168.30000110.9F143 E144 N149 Y150 V163 V175 D180 F181F143-V147 HydrophobicContact CD1-CG2 4.06Å; F143-V147 HydrophobicContact CE1-CG2 3.67Å; F143-V147 HydrophobicContact CZ-CG2 3.93Å; F143-V147 WeakPolarHBondContact O-CG2 3.44Å; F143-V147 PolarHBondContact O-N 2.94Å; E144-V147 PolarHBondContact O-N 3.22Å; V147-N149 PolarHBondContact O-N 3.36Å; V147-Y150 WeakPolarHBondContact O-CB 3.31Å; V147-Y150 PolarHBondContact O-N 3.36Å; V147-V163 HydrophobicContact CG2-CG2 4Å; V147-V175 HydrophobicContact CB-CG2 4.34Å; V147-V175 HydrophobicContact CG2-CG2 4.11Å; V147-D180 HydrophobicContact CG1-CB 3.84Å; V147-F181 HydrophobicContact CB-CE1 4.23Å; V147-F181 HydrophobicContact CB-CZ 4.49Å; V147-F181 HydrophobicContact CG1-CD1 3.99Å; V147-F181 HydrophobicContact CG1-CE1 3.71Å; V147-F181 HydrophobicContact CG1-CE2 4.42Å; V147-F181 HydrophobicContact CG1-CG 4.46Å; V147-F181 HydrophobicContact CG1-CZ 3.94Å; V147-F181 HydrophobicContact CG2-CE1 4.28Å; V147-F181 HydrophobicContact CG2-CZ 4.13Å
148K96.5Very high92.3Very high107 Ų10752.2 Ų52.247%0.46527%0.274SS..Hα-helixtrans-67.3-33.2177.2-73.1174.2-174.8167.10113.2E144 T145 S184 N186E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 WeakPolarHBondContact O-CG 3.35Å; E144-K148 PolarHBondContact O-N 2.95Å; E144-K148 VanDerWaalsContact OE1-CE 3.27Å; E144-K148 WeakPolarHBondContact OE1-CE 3.38Å; E144-K148 IonicContact OE1-NZ 3.35Å; E144-K148 PolarHBondContact OE1-NZ 3.5Å; T145-K148 PolarHBondContact O-N 2.82Å; K148-S184 PolarHBondContact O-OG 3.46Å; K148-N186 PolarHBondContact O-ND2 3.48Å
149N95.9Very high92Very high62 Ų6246.7 Ų46.733%0.33226%0.257SS..Hα-helixtrans-95.42.4179.6-67.4-30000113.7T145 S146 V147 Q151 D159T145-N149 WeakPolarHBondContact O-CB 3.08Å; T145-N149 PolarHBondContact O-N 3.45Å; T145-N149 PolarHBondContact O-ND2 3.18Å; S146-N149 CarbonylContact O-C 3.41Å; S146-N149 PolarHBondContact O-N 3.04Å; V147-N149 PolarHBondContact O-N 3.36Å; N149-Q151 PolarHBondContact O-N 3.24Å; N149-D159 HydrophobicContact CB-CB 3.88Å; N149-D159 VanDerWaalsContact CB-CG 3.48Å; N149-D159 VanDerWaalsContact CB-OD2 3.31Å; N149-D159 WeakPolarHBondContact CB-OD2 3.3Å
150Y95Very high91.8Very high0 Ų046.1 Ų46.10%025%0.252CS..  trans-58.6132.3175.8-178.1-88.2000110.3S146 V147 M153 V163 F181 N186 F187 P204S146-Y150 WeakPolarHBondContact O-CB 3.36Å; S146-Y150 PolarHBondContact O-N 2.85Å; V147-Y150 WeakPolarHBondContact O-CB 3.31Å; V147-Y150 PolarHBondContact O-N 3.36Å; Y150-M153 PolarHBondContact OH-N 3.11Å; Y150-V163 HydrophobicContact CD2-CB 3.65Å; Y150-V163 HydrophobicContact CD2-CG1 3.64Å; Y150-V163 HydrophobicContact CD2-CG2 4.03Å; Y150-V163 HydrophobicContact CE2-CB 4.1Å; Y150-V163 HydrophobicContact CE2-CG1 3.89Å; Y150-V163 HydrophobicContact CG-CG1 4.48Å; Y150-F181 HydrophobicContact CD1-CD1 4.09Å; Y150-F181 HydrophobicContact CD1-CE1 4.13Å; Y150-F181 HydrophobicContact CD2-CE1 4.34Å; Y150-F181 HydrophobicContact CG-CD1 4.15Å; Y150-F181 AromaticContact CG-CE1 3.82Å; Y150-F181 HydrophobicContact CG-CE1 3.82Å; Y150-N186 CarbonylContact O-C 3.58Å; Y150-N186 VanDerWaalsContact O-C 3.3Å; Y150-F187 AromaticContact CD1-CD2 3.84Å; Y150-F187 HydrophobicContact CD1-CD2 3.84Å; Y150-F187 HydrophobicContact CD1-CE2 4.44Å; Y150-F187 AromaticContact CE1-CD2 3.89Å; Y150-F187 HydrophobicContact CE1-CD2 3.89Å; Y150-F187 HydrophobicContact CE1-CE2 4.08Å; Y150-F187 WeakPolarHBondContact O-CA 3.41Å; Y150-F187 PolarHBondContact O-N 2.84Å; Y150-P204 HydrophobicContact CD1-CB 4.47Å; Y150-P204 HydrophobicContact CD1-CG 4.03Å; Y150-P204 HydrophobicContact CE1-CB 3.73Å; Y150-P204 HydrophobicContact CE1-CG 3.74Å
151Q94Very high91.3Very high50 Ų5049.4 Ų49.423%0.23427%0.269CS..  trans-109.2-67.3176.1-66.9178.420.800110.2N149 A155 S160 N186 W188N149-Q151 PolarHBondContact O-N 3.24Å; Q151-A155 HydrophobicContact CB-CB 3.59Å; Q151-S160 PolarHBondContact N-OG 3.42Å; Q151-N186 WeakPolarHBondContact CA-O 3.49Å; Q151-N186 HydrophobicContact CG-CB 4.35Å; Q151-W188 HydrophobicContact CB-CD2 4.24Å; Q151-W188 HydrophobicContact CB-CG 4.42Å; Q151-W188 WeakPolarHBondContact O-CB 3.41Å; Q151-W188 PolarHBondContact O-N 3.28Å; Q151-W188 VanDerWaalsContact OE1-CZ2 3.27Å
152S91.7Very high90.9Very high0 Ų048.2 Ų48.20%026%0.264CS..  trans-168.4164.8-178.759.10000109.5A154 A155 S160 W188 D191S152-A154 PolarHBondContact O-N 2.92Å; S152-A155 PolarHBondContact O-N 3.32Å; S152-A155 VanDerWaalsContact OG-CB 3.28Å; S152-A155 WeakPolarHBondContact OG-CB 3.49Å; S152-A155 PolarHBondContact OG-N 3.34Å; S152-S160 WeakPolarHBondContact O-CB 3.28Å; S152-S160 PolarHBondContact O-OG 2.93Å; S152-W188 VanDerWaalsContact OG-CE3 3.25Å; S152-D191 VanDerWaalsContact CB-CG 3.49Å; S152-D191 WeakPolarHBondContact CB-OD1 3.45Å
153M84.7Confident90.7Very high56 Ų5643.4 Ų43.428%0.27624%0.239SC..SBendtrans-64.9-27.8171.9-74.5-61.5-75.600111.7Y150 D191 Y193 V206Y150-M153 PolarHBondContact OH-N 3.11Å; M153-D191 PolarHBondContact N-OD1 3.26Å; M153-D191 PolarHBondContact N-OD2 2.86Å; M153-Y193 HydrophobicContact CB-CD2 3.89Å; M153-Y193 HydrophobicContact CB-CE2 4.41Å; M153-Y193 HydrophobicContact CE-CD2 4.37Å; M153-Y193 HydrophobicContact CE-CE2 3.72Å; M153-Y193 HydrophobicContact CG-CD2 4.01Å; M153-Y193 HydrophobicContact CG-CE2 4.21Å; M153-V206 HydrophobicContact CE-CG1 4.32Å; M153-V206 HydrophobicContact CG-CG1 3.8Å; M153-V206 HydrophobicContact SD-CG1 3.43Å; M153-V206 WeakPolarHBondContact SD-CG1 3.43Å
154A86Confident90.3Very high58 Ų5843.3 Ų43.348%0.47924%0.24SC..SBendtrans-75.8-28.6176.600000114.5S152 N156 D191S152-A154 PolarHBondContact O-N 2.92Å; A154-N156 PolarHBondContact O-N 2.89Å; A154-D191 PolarHBondContact N-OD1 2.86Å
155A83.6Confident89.9Confident25 Ų2545.2 Ų45.221%0.20725%0.251CS..SBendtrans-66.4-18.1-174.200000114.5Q151 S152 T157 W188Q151-A155 HydrophobicContact CB-CB 3.59Å; S152-A155 PolarHBondContact O-N 3.32Å; S152-A155 VanDerWaalsContact OG-CB 3.28Å; S152-A155 WeakPolarHBondContact OG-CB 3.49Å; S152-A155 PolarHBondContact OG-N 3.34Å; A155-T157 HydrophobicContact CB-CG2 4.31Å; A155-T157 PolarHBondContact O-N 2.93Å; A155-T157 VanDerWaalsContact O-N 3.15Å; A155-W188 HydrophobicContact CB-CE3 4.36Å; A155-W188 HydrophobicContact CB-CH2 4.03Å; A155-W188 HydrophobicContact CB-CZ3 3.9Å
156N74.9Confident89.6Confident85 Ų8543.8 Ų43.846%0.45524%0.24SC..  trans54.633.2176-164.126.3000114.1A154A154-N156 PolarHBondContact O-N 2.89Å
157T85.2Confident89.5Confident35 Ų3543.2 Ų43.222%0.21524%0.236CC..  trans-83.2154.8171.466.30000110.6A155 D159 S160 L161A155-T157 HydrophobicContact CB-CG2 4.31Å; A155-T157 PolarHBondContact O-N 2.93Å; A155-T157 VanDerWaalsContact O-N 3.15Å; T157-D159 PolarHBondContact O-N 2.92Å; T157-S160 PolarHBondContact O-N 3.35Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 WeakPolarHBondContact OG1-CB 3.47Å; T157-S160 PolarHBondContact OG1-N 3.22Å; T157-S160 PolarHBondContact OG1-OG 3.38Å; T157-L161 PolarHBondContact O-N 3.32Å
158I85.6Confident89.3Confident137 Ų13744.1 Ų44.170%0.70324%0.242SC*.Hα-helixtrans-55-42.2176-64.5173.1000110.2L161 V162I158-L161 PolarHBondContact O-N 3.01Å; I158-V162 HydrophobicContact CG2-CG2 4.35Å; I158-V162 VanDerWaalsContact O-CG2 3.29Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 2.87Å
159D90.8Very high89Confident39 Ų3943.2 Ų43.221%0.20925%0.247CC..Hα-helixtrans-63.6-42.4179.1-62.2-60.5000112.8S146 N149 T157 L161 V162 V163S146-D159 VanDerWaalsContact CA-OD1 3.27Å; S146-D159 WeakPolarHBondContact CA-OD1 3.25Å; S146-D159 WeakPolarHBondContact CB-OD1 3.45Å; S146-D159 PolarHBondContact OG-OD1 3.37Å; N149-D159 HydrophobicContact CB-CB 3.88Å; N149-D159 VanDerWaalsContact CB-CG 3.48Å; N149-D159 VanDerWaalsContact CB-OD2 3.31Å; N149-D159 WeakPolarHBondContact CB-OD2 3.3Å; T157-D159 PolarHBondContact O-N 2.92Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 2.94Å; D159-V162 PolarHBondContact O-N 3.43Å; D159-V163 WeakPolarHBondContact O-CG2 3.02Å; D159-V163 PolarHBondContact O-N 2.74Å; D159-V163 VanDerWaalsContact O-N 3.07Å
160S90.7Very high88.9Confident3 Ų341.7 Ų41.72%0.02124%0.239CC..Hα-helixtrans-66.4-37.1177.9-530000111.9Q151 S152 T157 G164Q151-S160 PolarHBondContact N-OG 3.42Å; S152-S160 WeakPolarHBondContact O-CB 3.28Å; S152-S160 PolarHBondContact O-OG 2.93Å; T157-S160 PolarHBondContact O-N 3.35Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 WeakPolarHBondContact OG1-CB 3.47Å; T157-S160 PolarHBondContact OG1-N 3.22Å; T157-S160 PolarHBondContact OG1-OG 3.38Å; S160-G164 PolarHBondContact O-N 2.98Å
161L87.6Confident88.9Confident70 Ų7048.1 Ų48.137%0.36627%0.269SS..Hα-helixtrans-66.5-45.9175.3-178.662.9000112.1T157 I158 D159 V163 G164 L165T157-L161 PolarHBondContact O-N 3.32Å; I158-L161 PolarHBondContact O-N 3.01Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 2.94Å; L161-V163 VanDerWaalsContact C-N 3.35Å; L161-V163 PolarHBondContact O-N 3.49Å; L161-G164 PolarHBondContact O-N 3.34Å; L161-L165 HydrophobicContact CD1-CD1 3.74Å; L161-L165 HydrophobicContact CD1-CG 3.95Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 3.8Å; L161-L165 HydrophobicContact CG-CG 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3Å
162V88.7Confident89.1Confident43 Ų4345.7 Ų45.726%0.26126%0.258SS..Hα-helixtrans-58.2-49.2178.2167.40000110.4F143 I158 D159 G164 L165 I166F143-V162 HydrophobicContact CD2-CG1 4.06Å; F143-V162 HydrophobicContact CE2-CG1 4.44Å; I158-V162 HydrophobicContact CG2-CG2 4.35Å; I158-V162 VanDerWaalsContact O-CG2 3.29Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 2.87Å; D159-V162 PolarHBondContact O-N 3.43Å; V162-G164 PolarHBondContact O-N 2.85Å; V162-L165 PolarHBondContact O-N 3.06Å; V162-I166 HydrophobicContact CG1-CD1 3.71Å; V162-I166 WeakPolarHBondContact O-CB 3.48Å; V162-I166 WeakPolarHBondContact O-CG1 3.22Å; V162-I166 PolarHBondContact O-N 3.48Å
163V91.7Very high89.3Confident0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-62.7-42.3178171.30000111.5F143 V147 Y150 D159 L161 L165 S167 F181 V206F143-V163 HydrophobicContact CE2-CG2 4.18Å; V147-V163 HydrophobicContact CG2-CG2 4Å; Y150-V163 HydrophobicContact CD2-CB 3.65Å; Y150-V163 HydrophobicContact CD2-CG1 3.64Å; Y150-V163 HydrophobicContact CD2-CG2 4.03Å; Y150-V163 HydrophobicContact CE2-CB 4.1Å; Y150-V163 HydrophobicContact CE2-CG1 3.89Å; Y150-V163 HydrophobicContact CG-CG1 4.48Å; D159-V163 WeakPolarHBondContact O-CG2 3.02Å; D159-V163 PolarHBondContact O-N 2.74Å; D159-V163 VanDerWaalsContact O-N 3.07Å; L161-V163 VanDerWaalsContact C-N 3.35Å; L161-V163 PolarHBondContact O-N 3.49Å; V163-L165 PolarHBondContact O-N 3.24Å; V163-S167 VanDerWaalsContact O-CB 3.27Å; V163-S167 WeakPolarHBondContact O-CB 3.23Å; V163-S167 PolarHBondContact O-N 3.48Å; V163-S167 PolarHBondContact O-OG 3.07Å; V163-F181 HydrophobicContact CG1-CE1 4.05Å; V163-F181 HydrophobicContact CG1-CZ 3.79Å; V163-V206 HydrophobicContact CG1-CG2 3.87Å
164G89.3Confident89.9Confident5 Ų543 Ų435%0.05225%0.245CC..Hα-helixtrans-70.3-24.1178.900000115.5S160 L161 V162 P168S160-G164 PolarHBondContact O-N 2.98Å; L161-G164 PolarHBondContact O-N 3.34Å; V162-G164 PolarHBondContact O-N 2.85Å; G164-P168 WeakPolarHBondContact O-CD 3.44Å; G164-P168 VanDerWaalsContact O-CG 3.28Å; G164-P168 WeakPolarHBondContact O-CG 3.37Å
165L87.6Confident90.4Very high90 Ų9040.4 Ų40.447%0.47122%0.222SC..Hα-helixtrans-88.8-29.8176.4-71.7174.1000113.1L161 V162 V163 P169L161-L165 HydrophobicContact CD1-CD1 3.74Å; L161-L165 HydrophobicContact CD1-CG 3.95Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 3.8Å; L161-L165 HydrophobicContact CG-CG 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3Å; V162-L165 PolarHBondContact O-N 3.06Å; V163-L165 PolarHBondContact O-N 3.24Å; L165-P169 VanDerWaalsContact O-CD 3.23Å; L165-P169 WeakPolarHBondContact O-CD 3.44Å; L165-P169 WeakPolarHBondContact O-CG 3.46Å
166I91Very high91.1Very high42 Ų4243 Ų4322%0.21523%0.233CC..Hα-helixtrans-89.4-42.8-175.5-68.9176000112F143 V162 P169 L170 L240F143-I166 HydrophobicContact CD2-CB 4.42Å; F143-I166 HydrophobicContact CD2-CD1 3.73Å; F143-I166 HydrophobicContact CD2-CG2 4.21Å; F143-I166 HydrophobicContact CE2-CB 3.78Å; F143-I166 HydrophobicContact CE2-CD1 3.95Å; F143-I166 HydrophobicContact CE2-CG1 4.44Å; F143-I166 HydrophobicContact CE2-CG2 3.69Å; F143-I166 HydrophobicContact CZ-CB 4.44Å; F143-I166 HydrophobicContact CZ-CG2 4.04Å; V162-I166 HydrophobicContact CG1-CD1 3.71Å; V162-I166 WeakPolarHBondContact O-CB 3.48Å; V162-I166 WeakPolarHBondContact O-CG1 3.22Å; V162-I166 PolarHBondContact O-N 3.48Å; I166-P169 WeakPolarHBondContact O-CD 3.3Å; I166-L170 HydrophobicContact CG2-CD1 3.71Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 PolarHBondContact O-N 3.13Å; I166-L240 HydrophobicContact CD1-CD1 4.44Å; I166-L240 HydrophobicContact CG2-CD1 3.84Å; I166-L240 HydrophobicContact CG2-CD2 4.35Å
167S93.2Very high92.2Very high0 Ų041.2 Ų41.20%022%0.223CC..THydrogen-bonded Turntrans-65.1-45.8-170.8-48.50000113.3V163 Q171 C172V163-S167 VanDerWaalsContact O-CB 3.27Å; V163-S167 WeakPolarHBondContact O-CB 3.23Å; V163-S167 PolarHBondContact O-N 3.48Å; V163-S167 PolarHBondContact O-OG 3.07Å; S167-Q171 PolarHBondContact O-N 2.84Å; S167-Q171 VanDerWaalsContact O-N 3.08Å; S167-C172 WeakPolarHBondContact CB-O 3.47Å; S167-C172 PolarHBondContact O-N 3.31Å
168P90.9Very high92.7Very high20 Ų2039.6 Ų39.613%0.1321%0.213CC..THydrogen-bonded Turntrans-63.1-51.2-178.2-22.935.2000115.5G164 L170 Q171 L210 Y214G164-P168 WeakPolarHBondContact O-CD 3.44Å; G164-P168 VanDerWaalsContact O-CG 3.28Å; G164-P168 WeakPolarHBondContact O-CG 3.37Å; P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 PolarHBondContact O-N 3.3Å; P168-Q171 PolarHBondContact O-N 3.45Å; P168-Q171 VanDerWaalsContact O-N 3.13Å; P168-L210 HydrophobicContact CB-CB 4.46Å; P168-L210 HydrophobicContact CB-CD1 3.93Å; P168-L210 HydrophobicContact CB-CG 4.42Å; P168-L210 HydrophobicContact CG-CD1 3.69Å; P168-Y214 HydrophobicContact CB-CE1 4.37Å; P168-Y214 HydrophobicContact CG-CD1 4.46Å; P168-Y214 HydrophobicContact CG-CE1 4.39Å
169P90.3Very high93.2Very high87 Ų8736.6 Ų36.657%0.56520%0.199SC*.THydrogen-bonded Turntrans-68.6-26.2-178.127.1-35.1000113.2L165 I166 Q171L165-P169 VanDerWaalsContact O-CD 3.23Å; L165-P169 WeakPolarHBondContact O-CD 3.44Å; L165-P169 WeakPolarHBondContact O-CG 3.46Å; I166-P169 WeakPolarHBondContact O-CD 3.3Å; P169-Q171 VanDerWaalsContact C-N 3.34Å
170L94.1Very high93.4Very high31 Ų3136.4 Ų36.416%0.16220%0.198CC..THydrogen-bonded Turntrans-87.1-2.5175.3-70.4-177.7000113.7I166 P168 C172 P239 L240 L243I166-L170 HydrophobicContact CG2-CD1 3.71Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 PolarHBondContact O-N 3.13Å; P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 PolarHBondContact O-N 3.3Å; L170-C172 WeakPolarHBondContact CB-SG 3.44Å; L170-C172 PolarHBondContact O-N 3.48Å; L170-P239 HydrophobicContact CB-CB 4.38Å; L170-P239 HydrophobicContact CD1-CB 4.5Å; L170-P239 HydrophobicContact CD2-CB 4.09Å; L170-L240 HydrophobicContact CD1-CB 3.83Å; L170-L240 HydrophobicContact CD1-CD1 3.93Å; L170-L240 HydrophobicContact CD1-CG 4.48Å; L170-L243 HydrophobicContact CD2-CB 4.2Å; L170-L243 HydrophobicContact CD2-CD2 3.64Å; L170-L243 HydrophobicContact CD2-CG 4.46Å; L170-L243 HydrophobicContact CG-CD2 4.36Å
171Q95.1Very high93.7Very high134 Ų13436.2 Ų36.263%0.62620%0.197SC*.THydrogen-bonded Turntrans51.442.5-179.7-56.4-177.6-42.500112.9S167 P168 P169 N231S167-Q171 PolarHBondContact O-N 2.84Å; S167-Q171 VanDerWaalsContact O-N 3.08Å; P168-Q171 PolarHBondContact O-N 3.45Å; P168-Q171 VanDerWaalsContact O-N 3.13Å; P169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-N231 WeakPolarHBondContact O-CB 3.27Å; Q171-N231 VanDerWaalsContact O-CG 3.32Å
172C97.4Very high93.8Very high0 Ų035.6 Ų35.60%020%0.196CC..  trans-131.3170-177.562.10000110.5S167 L170 T234 C236S167-C172 WeakPolarHBondContact CB-O 3.47Å; S167-C172 PolarHBondContact O-N 3.31Å; L170-C172 WeakPolarHBondContact CB-SG 3.44Å; L170-C172 PolarHBondContact O-N 3.48Å; C172-T234 CarbonylContact C-O 3.57Å; C172-T234 VanDerWaalsContact CA-O 3.23Å; C172-T234 WeakPolarHBondContact CA-O 3.39Å; C172-T234 HydrophobicContact CB-CG2 4.33Å; C172-T234 WeakPolarHBondContact CB-O 3.35Å; C172-C236 HydrophobicContact CB-CB 3.89Å; C172-C236 WeakPolarHBondContact CB-SG 3.39Å; C172-C236 WeakPolarHBondContact SG-CA 3.27Å; C172-C236 WeakPolarHBondContact SG-CB 3.47Å; C172-C236 CovalentContact SG-SG 2.03Å; C172-C236 PolarHBondContact SG-SG 2.9Å
173C97Very high93.8Very high0 Ų039.1 Ų39.10%022%0.217CC..  trans-146.6122.9179.91730000108.6N177 G178 C207 N231 T234C173-N177 CarbonylContact O-C 3.59Å; C173-N177 WeakPolarHBondContact O-CA 3.34Å; C173-G178 PolarHBondContact O-N 3.33Å; C173-G178 WeakPolarHBondContact SG-CA 3.32Å; C173-C207 HydrophobicContact CB-CB 3.64Å; C173-C207 WeakPolarHBondContact CB-SG 3.41Å; C173-C207 WeakPolarHBondContact SG-CB 3.42Å; C173-C207 CovalentContact SG-SG 2.02Å; C173-C207 PolarHBondContact SG-SG 3.44Å; C173-N231 WeakPolarHBondContact CB-O 3.5Å; C173-T234 PolarHBondContact N-O 2.98Å
174G97Very high93.8Very high0 Ų039.8 Ų39.80%022%0.222CC..SBendtrans69-175.1-175.800000112.8C236G174-C236 WeakPolarHBondContact O-CB 3.3Å; G174-C236 PolarHBondContact O-N 3.33Å; G174-C236 PolarHBondContact O-SG 2.96Å
175V97.7Very high93.8Very high2 Ų245.4 Ų45.41%0.01226%0.258CS..SBendtrans-77.8-50.1178-179.40000110I140 F143 E144 V147 D180 G235 C236 R237I140-V175 HydrophobicContact CG2-CG1 3.9Å; F143-V175 HydrophobicContact CD1-CG2 4.1Å; E144-V175 VanDerWaalsContact CA-CG2 3.49Å; E144-V175 HydrophobicContact CB-CG2 3.64Å; E144-V175 HydrophobicContact CG-CG2 3.9Å; V147-V175 HydrophobicContact CB-CG2 4.34Å; V147-V175 HydrophobicContact CG2-CG2 4.11Å; V175-D180 WeakPolarHBondContact CA-OD2 3.35Å; V175-D180 WeakPolarHBondContact CB-OD2 3.31Å; V175-D180 PolarHBondContact N-OD2 3.45Å; V175-G235 CarbonylContact O-C 3.58Å; V175-G235 WeakPolarHBondContact O-CA 3.17Å; V175-C236 PolarHBondContact O-N 3.42Å; V175-R237 HydrophobicContact CG1-CB 4.16Å; V175-R237 WeakPolarHBondContact O-CB 3.35Å; V175-R237 PolarHBondContact O-N 3.21Å
176N97.8Very high94.2Very high80 Ų8043.9 Ų43.943%0.42825%0.25SS..SBendtrans-104.5-39.1-179.5-51.2-57.1000111.2D180 G235 R237N176-D180 PolarHBondContact N-OD2 3.45Å; N176-D180 PolarHBondContact ND2-OD1 3.43Å; N176-G235 WeakPolarHBondContact O-CA 3.43Å; N176-G235 PolarHBondContact O-N 2.99Å; N176-G235 VanDerWaalsContact O-N 3.14Å; N176-R237 PolarHBondContact OD1-NE 2.98Å
177N96.7Very high94.4Very high48 Ų4842.7 Ų42.726%0.25724%0.243SC..SBendtrans-174.6-176.4173.156.649.6000109.5C173 D179 D180 Y232C173-N177 CarbonylContact O-C 3.59Å; C173-N177 WeakPolarHBondContact O-CA 3.34Å; N177-D179 PolarHBondContact O-N 3.37Å; N177-D179 WeakPolarHBondContact OD1-CA 3.33Å; N177-D179 WeakPolarHBondContact OD1-CB 3.28Å; N177-D179 PolarHBondContact OD1-N 3.32Å; N177-D180 PolarHBondContact N-OD2 3.5Å; N177-D180 WeakPolarHBondContact O-CB 3.27Å; N177-D180 PolarHBondContact O-N 2.79Å; N177-Y232 WeakPolarHBondContact CB-O 3.39Å
178G95.7Very high94.4Very high0 Ų048.7 Ų48.70%027%0.266CS..THydrogen-bonded Turntrans-62.7-21.4179.100000115.2C173 D180 F181 Y203 Y232C173-G178 PolarHBondContact O-N 3.33Å; C173-G178 WeakPolarHBondContact SG-CA 3.32Å; G178-D180 PolarHBondContact O-N 3.43Å; G178-F181 WeakPolarHBondContact O-CD2 3.48Å; G178-F181 PolarHBondContact O-N 2.97Å; G178-F181 VanDerWaalsContact O-N 3.16Å; G178-Y203 VanDerWaalsContact C-CD1 3.43Å; G178-Y203 WeakPolarHBondContact O-CD1 3.32Å; G178-Y203 WeakPolarHBondContact O-CE1 3.3Å; G178-Y232 PolarHBondContact N-O 3.44Å
179D96.2Very high94.5Very high75 Ų7552.4 Ų52.440%0.40128%0.278SS..Hα-helixtrans-66.7-20.2179.4-59.4-31.6000111.9N177 F181 T182 T183 Y203N177-D179 PolarHBondContact O-N 3.37Å; N177-D179 WeakPolarHBondContact OD1-CA 3.33Å; N177-D179 WeakPolarHBondContact OD1-CB 3.28Å; N177-D179 PolarHBondContact OD1-N 3.32Å; D179-F181 PolarHBondContact O-N 3.44Å; D179-F181 VanDerWaalsContact O-N 3.16Å; D179-T182 WeakPolarHBondContact O-CB 3.31Å; D179-T182 PolarHBondContact O-N 3.02Å; D179-T182 PolarHBondContact O-OG1 3.25Å; D179-T183 PolarHBondContact O-N 3Å; D179-Y203 VanDerWaalsContact OD1-CE1 3.22Å; D179-Y203 WeakPolarHBondContact OD1-CE1 3.49Å; D179-Y203 PolarHBondContact OD1-OH 3.33Å
180D96.4Very high94.7Very high34 Ų3452.8 Ų52.818%0.18228%0.275CS..Hα-helixtrans-54.3-35.5173.3-66.8-28.1000111.7V147 V175 N176 N177 G178 T183V147-D180 HydrophobicContact CG1-CB 3.84Å; V175-D180 WeakPolarHBondContact CA-OD2 3.35Å; V175-D180 WeakPolarHBondContact CB-OD2 3.31Å; V175-D180 PolarHBondContact N-OD2 3.45Å; N176-D180 PolarHBondContact N-OD2 3.45Å; N176-D180 PolarHBondContact ND2-OD1 3.43Å; N177-D180 PolarHBondContact N-OD2 3.5Å; N177-D180 WeakPolarHBondContact O-CB 3.27Å; N177-D180 PolarHBondContact O-N 2.79Å; G178-D180 PolarHBondContact O-N 3.43Å; D180-T183 PolarHBondContact O-OG1 3.31Å
181F95.8Very high94.6Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-74.7-30.8176.4-61.7-77.8000113.3V147 Y150 V163 G178 D179 T183 S184 F187 P204V147-F181 HydrophobicContact CB-CE1 4.23Å; V147-F181 HydrophobicContact CB-CZ 4.49Å; V147-F181 HydrophobicContact CG1-CD1 3.99Å; V147-F181 HydrophobicContact CG1-CE1 3.71Å; V147-F181 HydrophobicContact CG1-CE2 4.42Å; V147-F181 HydrophobicContact CG1-CG 4.46Å; V147-F181 HydrophobicContact CG1-CZ 3.94Å; V147-F181 HydrophobicContact CG2-CE1 4.28Å; V147-F181 HydrophobicContact CG2-CZ 4.13Å; Y150-F181 HydrophobicContact CD1-CD1 4.09Å; Y150-F181 HydrophobicContact CD1-CE1 4.13Å; Y150-F181 HydrophobicContact CD2-CE1 4.34Å; Y150-F181 HydrophobicContact CG-CD1 4.15Å; Y150-F181 AromaticContact CG-CE1 3.82Å; Y150-F181 HydrophobicContact CG-CE1 3.82Å; V163-F181 HydrophobicContact CG1-CE1 4.05Å; V163-F181 HydrophobicContact CG1-CZ 3.79Å; G178-F181 WeakPolarHBondContact O-CD2 3.48Å; G178-F181 PolarHBondContact O-N 2.97Å; G178-F181 VanDerWaalsContact O-N 3.16Å; D179-F181 PolarHBondContact O-N 3.44Å; D179-F181 VanDerWaalsContact O-N 3.16Å; F181-T183 PolarHBondContact O-N 3.46Å; F181-S184 WeakPolarHBondContact O-CB 3.17Å; F181-S184 PolarHBondContact O-N 2.88Å; F181-F187 HydrophobicContact CB-CD1 4.19Å; F181-F187 HydrophobicContact CB-CG 4.3Å; F181-P204 HydrophobicContact CB-CG 4.07Å; F181-P204 HydrophobicContact CD1-CG 3.57Å; F181-P204 VanDerWaalsContact CD2-CD 3.49Å; F181-P204 HydrophobicContact CD2-CG 3.61Å; F181-P204 HydrophobicContact CE1-CG 3.8Å; F181-P204 HydrophobicContact CE2-CG 3.83Å; F181-P204 HydrophobicContact CG-CG 3.47Å; F181-P204 VanDerWaalsContact CG-CG 3.47Å; F181-P204 HydrophobicContact CZ-CG 3.93Å
182T90.9Very high94.2Very high57 Ų5748 Ų4835%0.3526%0.256SS..Hα-helixtrans-67.6-25.8-176.969.70000112.5D179 Y203D179-T182 WeakPolarHBondContact O-CB 3.31Å; D179-T182 PolarHBondContact O-N 3.02Å; D179-T182 PolarHBondContact O-OG1 3.25Å; T182-Y203 HydrophobicContact CG2-CD1 4.07Å; T182-Y203 HydrophobicContact CG2-CE1 3.76Å
183T88.2Confident93.6Very high116 Ų11649.9 Ų49.971%0.71226%0.263SS*.THydrogen-bonded Turntrans-83.2-12.9175.768.30000113.2D179 D180 F181D179-T183 PolarHBondContact O-N 3Å; D180-T183 PolarHBondContact O-OG1 3.31Å; F181-T183 PolarHBondContact O-N 3.46Å
184S90.9Very high92.8Very high14 Ų1453.7 Ų53.710%0.09830%0.303CS..  trans-82.8127.6180175.50000111.4K148 F181 N186K148-S184 PolarHBondContact O-OG 3.46Å; F181-S184 WeakPolarHBondContact O-CB 3.17Å; F181-S184 PolarHBondContact O-N 2.88Å; S184-N186 PolarHBondContact O-N 3.31Å; S184-N186 PolarHBondContact OG-N 3.34Å; S184-N186 VanDerWaalsContact OG-N 3.1Å
185P90.5Very high92.1Very high124 Ų12457.5 Ų57.581%0.80534%0.342SS*.THydrogen-bonded Turntrans-71.5-13.9172.431.2-35.4000113
186N94.5Very high91.4Very high58 Ų5861.8 Ų61.831%0.3136%0.36SS..THydrogen-bonded Turntrans-84.2-20.9-177.6-62.4-50.3000112.6K148 Y150 Q151 S184 W188K148-N186 PolarHBondContact O-ND2 3.48Å; Y150-N186 CarbonylContact O-C 3.58Å; Y150-N186 VanDerWaalsContact O-C 3.3Å; Q151-N186 WeakPolarHBondContact CA-O 3.49Å; Q151-N186 HydrophobicContact CG-CB 4.35Å; S184-N186 PolarHBondContact O-N 3.31Å; S184-N186 PolarHBondContact OG-N 3.34Å; S184-N186 VanDerWaalsContact OG-N 3.1Å; N186-W188 PolarHBondContact O-N 3.49Å
187F95.5Very high91.1Very high16 Ų1661.6 Ų61.67%0.0736%0.362CS..  trans-68.3117.1-175172.3-133.3000111.7Y150 F181 R189 I201 P204Y150-F187 AromaticContact CD1-CD2 3.84Å; Y150-F187 HydrophobicContact CD1-CD2 3.84Å; Y150-F187 HydrophobicContact CD1-CE2 4.44Å; Y150-F187 AromaticContact CE1-CD2 3.89Å; Y150-F187 HydrophobicContact CE1-CD2 3.89Å; Y150-F187 HydrophobicContact CE1-CE2 4.08Å; Y150-F187 WeakPolarHBondContact O-CA 3.41Å; Y150-F187 PolarHBondContact O-N 2.84Å; F181-F187 HydrophobicContact CB-CD1 4.19Å; F181-F187 HydrophobicContact CB-CG 4.3Å; F187-R189 HydrophobicContact CE1-CG 4.27Å; F187-I201 HydrophobicContact CE2-CD1 4.37Å; F187-I201 HydrophobicContact CZ-CD1 4.19Å; F187-I201 HydrophobicContact CZ-CG1 3.9Å; F187-P204 HydrophobicContact CD2-CG 4.17Å; F187-P204 HydrophobicContact CE2-CB 4.23Å; F187-P204 HydrophobicContact CE2-CG 3.7Å; F187-P204 HydrophobicContact CZ-CG 4.07Å
188W93.6Very high90.8Very high126 Ų12660.3 Ų60.348%0.47735%0.354SS..  trans-84.3118.1176-62.7-1.4000110Q151 S152 A155 N186 N190Q151-W188 HydrophobicContact CB-CD2 4.24Å; Q151-W188 HydrophobicContact CB-CG 4.42Å; Q151-W188 WeakPolarHBondContact O-CB 3.41Å; Q151-W188 PolarHBondContact O-N 3.28Å; Q151-W188 VanDerWaalsContact OE1-CZ2 3.27Å; S152-W188 VanDerWaalsContact OG-CE3 3.25Å; A155-W188 HydrophobicContact CB-CE3 4.36Å; A155-W188 HydrophobicContact CB-CH2 4.03Å; A155-W188 HydrophobicContact CB-CZ3 3.9Å; N186-W188 PolarHBondContact O-N 3.49Å; W188-N190 PolarHBondContact O-N 3.5Å
189R93.8Very high90.7Very high99 Ų9965.2 Ų65.237%0.37438%0.38SS..SBendtrans-74.6-6.2176.5-59.2-173.2175.4-79-0.6113.7F187 N199 N200 I201 A202F187-R189 HydrophobicContact CE1-CG 4.27Å; R189-N199 CarbonylContact O-C 3.38Å; R189-N200 CarbonylContact O-C 3.59Å; R189-N200 WeakPolarHBondContact O-CA 3.03Å; R189-N200 PolarHBondContact O-N 2.96Å; R189-I201 PolarHBondContact NH1-O 2.89Å; R189-I201 VanDerWaalsContact NH1-O 3.09Å; R189-I201 WeakPolarHBondContact O-CG1 3.34Å; R189-I201 PolarHBondContact O-N 3.47Å; R189-A202 PolarHBondContact NH1-O 3.14Å
190N93.8Very high90.6Very high94 Ų9467.7 Ų67.750%0.50339%0.393SS..  trans-113.1119172.1-61.4-15.2000107.8W188 Y198 N199 N200W188-N190 PolarHBondContact O-N 3.5Å; N190-Y198 VanDerWaalsContact CA-O 3.29Å; N190-Y198 WeakPolarHBondContact CA-O 3.39Å; N190-N199 WeakPolarHBondContact OD1-CA 3.34Å; N190-N200 PolarHBondContact OD1-N 3.34Å
191D91.6Very high90.5Very high2 Ų266.2 Ų66.21%0.01139%0.386CS..EExtended strand (participates in β ladder)trans-134.2151.8-176.6-160.6-6.6000109.9S152 M153 A154 T197 Y198 I201 V205S152-D191 VanDerWaalsContact CB-CG 3.49Å; S152-D191 WeakPolarHBondContact CB-OD1 3.45Å; M153-D191 PolarHBondContact N-OD1 3.26Å; M153-D191 PolarHBondContact N-OD2 2.86Å; A154-D191 PolarHBondContact N-OD1 2.86Å; D191-T197 WeakPolarHBondContact O-CA 3.35Å; D191-Y198 PolarHBondContact N-O 2.66Å; D191-Y198 PolarHBondContact O-N 3.37Å; D191-I201 HydrophobicContact CB-CD1 4.1Å; D191-V205 HydrophobicContact CB-CG2 4.07Å
192T88.3Confident90.5Very high64 Ų6468.2 Ų68.239%0.39340%0.402SS..EExtended strand (participates in β ladder)trans-119.8118.1175.3-63.20000109.1K196 T197T192-K196 WeakPolarHBondContact CA-O 3.43Å; T192-T197 PolarHBondContact OG1-OG1 2.9Å
193Y84.3Confident90.7Very high38 Ų3867 Ų6715%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-139.6133.4-176-168.8-103.5000111.1M153 G195 K196 V205 Y214 I216M153-Y193 HydrophobicContact CB-CD2 3.89Å; M153-Y193 HydrophobicContact CB-CE2 4.41Å; M153-Y193 HydrophobicContact CE-CD2 4.37Å; M153-Y193 HydrophobicContact CE-CE2 3.72Å; M153-Y193 HydrophobicContact CG-CD2 4.01Å; M153-Y193 HydrophobicContact CG-CE2 4.21Å; Y193-G195 PolarHBondContact O-N 3.33Å; Y193-K196 PolarHBondContact N-O 3.01Å; Y193-K196 PolarHBondContact O-N 3.44Å; Y193-K196 VanDerWaalsContact O-N 3.08Å; Y193-V205 HydrophobicContact CD1-CG1 3.67Å; Y193-V205 HydrophobicContact CE1-CG1 4.28Å; Y193-V205 HydrophobicContact CG-CG1 3.81Å; Y193-Y214 WeakPolarHBondContact CE1-O 3.45Å; Y193-Y214 PolarHBondContact OH-O 2.87Å; Y193-I216 HydrophobicContact CD1-CD1 4.04Å; Y193-I216 HydrophobicContact CD1-CG1 4.14Å; Y193-I216 HydrophobicContact CE1-CG1 4.14Å
194G80.1Confident91Very high80 Ų8061.5 Ų61.583%0.82536%0.358SS*.THydrogen-bonded Turntrans59.327.7-177.700000114K196G194-K196 VanDerWaalsContact C-N 3.25Å; G194-K196 PolarHBondContact O-N 3.43Å
195G81.6Confident91.2Very high80 Ų8060.9 Ų60.983%0.82535%0.353SS*.THydrogen-bonded Turntrans78-0.4-176.600000115.2Y193Y193-G195 PolarHBondContact O-N 3.33Å
196K83.3Confident91.3Very high92 Ų9255 Ų5540%0.432%0.316SS..EExtended strand (participates in β ladder)trans-103135.9172.3-177.6172.7166.4-163.30110T192 Y193 G194 Y198 D223T192-K196 WeakPolarHBondContact CA-O 3.43Å; Y193-K196 PolarHBondContact N-O 3.01Å; Y193-K196 PolarHBondContact O-N 3.44Å; Y193-K196 VanDerWaalsContact O-N 3.08Å; G194-K196 VanDerWaalsContact C-N 3.25Å; G194-K196 PolarHBondContact O-N 3.43Å; K196-Y198 HydrophobicContact CB-CE2 4.07Å; K196-Y198 HydrophobicContact CD-CD1 4.37Å; K196-Y198 HydrophobicContact CD-CE1 3.54Å; K196-Y198 HydrophobicContact CD-CE2 4.5Å; K196-Y198 HydrophobicContact CG-CD1 4.46Å; K196-Y198 HydrophobicContact CG-CE1 3.92Å; K196-Y198 HydrophobicContact CG-CE2 4.15Å; K196-D223 IonicContact NZ-OD2 2.68Å; K196-D223 PolarHBondContact NZ-OD2 3.41Å
197T90.7Very high91.3Very high77 Ų7752.3 Ų52.347%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-93.6130.1171.9-56.70000109.5D191 T192D191-T197 WeakPolarHBondContact O-CA 3.35Å; T192-T197 PolarHBondContact OG1-OG1 2.9Å
198Y91.7Very high91.4Very high20 Ų2051.5 Ų51.58%0.07830%0.297CS..EExtended strand (participates in β ladder)trans-111.8134.6176.1-55.6-84.1000108.6N190 D191 K196 V205 I216 P222N190-Y198 VanDerWaalsContact CA-O 3.29Å; N190-Y198 WeakPolarHBondContact CA-O 3.39Å; D191-Y198 PolarHBondContact N-O 2.66Å; D191-Y198 PolarHBondContact O-N 3.37Å; K196-Y198 HydrophobicContact CB-CE2 4.07Å; K196-Y198 HydrophobicContact CD-CD1 4.37Å; K196-Y198 HydrophobicContact CD-CE1 3.54Å; K196-Y198 HydrophobicContact CD-CE2 4.5Å; K196-Y198 HydrophobicContact CG-CD1 4.46Å; K196-Y198 HydrophobicContact CG-CE1 3.92Å; K196-Y198 HydrophobicContact CG-CE2 4.15Å; Y198-V205 HydrophobicContact CD2-CG2 4.43Å; Y198-I216 HydrophobicContact CE2-CD1 4.41Å; Y198-I216 WeakPolarHBondContact OH-CD1 3.27Å; Y198-P222 VanDerWaalsContact CD1-CD 3.48Å; Y198-P222 HydrophobicContact CD1-CG 3.55Å; Y198-P222 HydrophobicContact CD2-CG 4.02Å; Y198-P222 VanDerWaalsContact CE1-CD 3.41Å; Y198-P222 HydrophobicContact CE1-CG 4.02Å; Y198-P222 HydrophobicContact CE2-CG 4.46Å; Y198-P222 HydrophobicContact CG-CG 3.53Å
199N93.5Very high91.4Very high104 Ų10448.7 Ų48.756%0.55629%0.289SS*.  trans-116.8142.5-176.2-63.4-53.1000110.5R189 N190 I201R189-N199 CarbonylContact O-C 3.38Å; N190-N199 WeakPolarHBondContact OD1-CA 3.34Å; N199-I201 VanDerWaalsContact C-N 3.3Å; N199-I201 PolarHBondContact O-N 3.2Å
200N93.3Very high91.2Very high126 Ų12645.3 Ų45.367%0.67428%0.278SS*.SBendtrans53.340.9177.8-164.145.6000114.5R189 N190R189-N200 CarbonylContact O-C 3.59Å; R189-N200 WeakPolarHBondContact O-CA 3.03Å; R189-N200 PolarHBondContact O-N 2.96Å; N190-N200 PolarHBondContact OD1-N 3.34Å
201I94.9Very high90.7Very high3 Ų344.1 Ų44.12%0.01527%0.271CS..  trans-67.3142.317966.1-177.2000111F187 R189 D191 N199 Y203 V205 P222F187-I201 HydrophobicContact CE2-CD1 4.37Å; F187-I201 HydrophobicContact CZ-CD1 4.19Å; F187-I201 HydrophobicContact CZ-CG1 3.9Å; R189-I201 PolarHBondContact NH1-O 2.89Å; R189-I201 VanDerWaalsContact NH1-O 3.09Å; R189-I201 WeakPolarHBondContact O-CG1 3.34Å; R189-I201 PolarHBondContact O-N 3.47Å; D191-I201 HydrophobicContact CB-CD1 4.1Å; N199-I201 VanDerWaalsContact C-N 3.3Å; N199-I201 PolarHBondContact O-N 3.2Å; I201-Y203 VanDerWaalsContact CD1-O 3.31Å; I201-Y203 WeakPolarHBondContact CD1-O 3.48Å; I201-Y203 WeakPolarHBondContact CG1-O 3.32Å; I201-V205 HydrophobicContact CD1-CG2 4.1Å; I201-P222 HydrophobicContact CB-CB 4.3Å; I201-P222 HydrophobicContact CG2-CB 3.91Å; I201-P222 HydrophobicContact CG2-CG 3.71Å
202A94.7Very high90Very high43 Ų4353 Ų5336%0.35531%0.313SS..SBendtrans-72.4-42179.500000111.9R189 F225R189-A202 PolarHBondContact NH1-O 3.14Å; A202-F225 HydrophobicContact CB-CD2 4.1Å; A202-F225 HydrophobicContact CB-CE2 4.17Å
203Y96.2Very high89.5Confident31 Ų3156.5 Ų56.512%0.12233%0.329CS..SBendtrans-132162.9-179.6-52.5-67.4000110.4G178 D179 T182 I201 F225 Y232G178-Y203 VanDerWaalsContact C-CD1 3.43Å; G178-Y203 WeakPolarHBondContact O-CD1 3.32Å; G178-Y203 WeakPolarHBondContact O-CE1 3.3Å; D179-Y203 VanDerWaalsContact OD1-CE1 3.22Å; D179-Y203 WeakPolarHBondContact OD1-CE1 3.49Å; D179-Y203 PolarHBondContact OD1-OH 3.33Å; T182-Y203 HydrophobicContact CG2-CD1 4.07Å; T182-Y203 HydrophobicContact CG2-CE1 3.76Å; I201-Y203 VanDerWaalsContact CD1-O 3.31Å; I201-Y203 WeakPolarHBondContact CD1-O 3.48Å; I201-Y203 WeakPolarHBondContact CG1-O 3.32Å; Y203-F225 HydrophobicContact CD2-CB 4.06Å; Y203-F225 AromaticContact CD2-CD1 3.85Å; Y203-F225 HydrophobicContact CD2-CD1 3.85Å; Y203-F225 AromaticContact CD2-CD2 3.72Å; Y203-F225 HydrophobicContact CD2-CD2 3.72Å; Y203-F225 HydrophobicContact CD2-CE1 4.22Å; Y203-F225 HydrophobicContact CD2-CE2 4.08Å; Y203-F225 AromaticContact CD2-CG 3.6Å; Y203-F225 HydrophobicContact CD2-CG 3.6Å; Y203-F225 HydrophobicContact CD2-CZ 4.32Å; Y203-F225 HydrophobicContact CE2-CB 4.32Å; Y203-F225 HydrophobicContact CE2-CG 4.34Å; Y203-F225 WeakPolarHBondContact O-CZ 3.26Å; Y203-Y232 HydrophobicContact CD2-CD2 4.12Å; Y203-Y232 HydrophobicContact CD2-CG 4.25Å; Y203-Y232 AromaticContact CE2-CD2 3.41Å; Y203-Y232 HydrophobicContact CE2-CD2 3.41Å; Y203-Y232 VanDerWaalsContact CE2-CD2 3.41Å; Y203-Y232 HydrophobicContact CE2-CE2 4.04Å; Y203-Y232 AromaticContact CE2-CG 3.99Å; Y203-Y232 HydrophobicContact CE2-CG 3.99Å; Y203-Y232 AromaticContact CZ-CD2 3.74Å
204P95.3Very high89.3Confident0 Ų059.6 Ų59.60%034%0.341CS..  trans-58.3151.3177.4-27.636000114.2Y150 F181 F187 V206 C207Y150-P204 HydrophobicContact CD1-CB 4.47Å; Y150-P204 HydrophobicContact CD1-CG 4.03Å; Y150-P204 HydrophobicContact CE1-CB 3.73Å; Y150-P204 HydrophobicContact CE1-CG 3.74Å; F181-P204 HydrophobicContact CB-CG 4.07Å; F181-P204 HydrophobicContact CD1-CG 3.57Å; F181-P204 VanDerWaalsContact CD2-CD 3.49Å; F181-P204 HydrophobicContact CD2-CG 3.61Å; F181-P204 HydrophobicContact CE1-CG 3.8Å; F181-P204 HydrophobicContact CE2-CG 3.83Å; F181-P204 HydrophobicContact CG-CG 3.47Å; F181-P204 VanDerWaalsContact CG-CG 3.47Å; F181-P204 HydrophobicContact CZ-CG 3.93Å; F187-P204 HydrophobicContact CD2-CG 4.17Å; F187-P204 HydrophobicContact CE2-CB 4.23Å; F187-P204 HydrophobicContact CE2-CG 3.7Å; F187-P204 HydrophobicContact CZ-CG 4.07Å; P204-V206 HydrophobicContact CB-CG2 3.72Å; P204-V206 PolarHBondContact O-N 2.93Å; P204-V206 VanDerWaalsContact O-N 3.14Å; P204-C207 VanDerWaalsContact O-CB 3.28Å; P204-C207 WeakPolarHBondContact O-CB 3.39Å; P204-C207 PolarHBondContact O-N 3.39Å
205V93.4Very high89.4Confident1 Ų157.9 Ų57.91%0.00632%0.319CS..G310 helixtrans-56.2-32.5176.5-172.20000112.1D191 Y193 Y198 I201 C207 C208 I216 P222D191-V205 HydrophobicContact CB-CG2 4.07Å; Y193-V205 HydrophobicContact CD1-CG1 3.67Å; Y193-V205 HydrophobicContact CE1-CG1 4.28Å; Y193-V205 HydrophobicContact CG-CG1 3.81Å; Y198-V205 HydrophobicContact CD2-CG2 4.43Å; I201-V205 HydrophobicContact CD1-CG2 4.1Å; V205-C207 PolarHBondContact O-N 2.99Å; V205-C207 VanDerWaalsContact O-N 3.12Å; V205-C208 WeakPolarHBondContact O-CB 3.33Å; V205-C208 PolarHBondContact O-N 3.46Å; V205-C208 PolarHBondContact O-SG 3.05Å; V205-I216 HydrophobicContact CG1-CD1 3.73Å; V205-I216 HydrophobicContact CG1-CG1 4.29Å; V205-P222 HydrophobicContact CG2-CG 4.18Å
206V92.5Very high89.7Confident2 Ų255.7 Ų55.71%0.01229%0.288CS..G310 helixtrans-65.8-13.7179.5-58.60000113.7M153 V163 P204 C208M153-V206 HydrophobicContact CE-CG1 4.32Å; M153-V206 HydrophobicContact CG-CG1 3.8Å; M153-V206 HydrophobicContact SD-CG1 3.43Å; M153-V206 WeakPolarHBondContact SD-CG1 3.43Å; V163-V206 HydrophobicContact CG1-CG2 3.87Å; P204-V206 HydrophobicContact CB-CG2 3.72Å; P204-V206 PolarHBondContact O-N 2.93Å; P204-V206 VanDerWaalsContact O-N 3.14Å; V206-C208 VanDerWaalsContact C-N 3.32Å
207C96.3Very high89.9Confident0 Ų056.5 Ų56.50%030%0.296CS..G310 helixtrans-81.8-14174.5-61.80000112.4C173 P204 V205 F225 S230 N231C173-C207 HydrophobicContact CB-CB 3.64Å; C173-C207 WeakPolarHBondContact CB-SG 3.41Å; C173-C207 WeakPolarHBondContact SG-CB 3.42Å; C173-C207 CovalentContact SG-SG 2.02Å; C173-C207 PolarHBondContact SG-SG 3.44Å; P204-C207 VanDerWaalsContact O-CB 3.28Å; P204-C207 WeakPolarHBondContact O-CB 3.39Å; P204-C207 PolarHBondContact O-N 3.39Å; V205-C207 PolarHBondContact O-N 2.99Å; V205-C207 VanDerWaalsContact O-N 3.12Å; C207-F225 HydrophobicContact CB-CE1 4.15Å; C207-S230 CarbonylContact O-C 3.58Å; C207-S230 WeakPolarHBondContact O-CA 3.37Å; C207-S230 VanDerWaalsContact O-CB 3.28Å; C207-S230 WeakPolarHBondContact O-CB 3.28Å; C207-N231 PolarHBondContact O-N 2.73Å
208C95.8Very high89.8Confident0 Ų055.3 Ų55.30%029%0.287CS..BIsolated β-bridgetrans-67.1153.5168.4-59.80000110.8V205 V206 L210 I216 C221V205-C208 WeakPolarHBondContact O-CB 3.33Å; V205-C208 PolarHBondContact O-N 3.46Å; V205-C208 PolarHBondContact O-SG 3.05Å; V206-C208 VanDerWaalsContact C-N 3.32Å; C208-L210 HydrophobicContact CB-CD2 4.46Å; C208-L210 PolarHBondContact O-N 3.24Å; C208-I216 HydrophobicContact CB-CG2 4.32Å; C208-C221 WeakPolarHBondContact CA-SG 3.5Å; C208-C221 HydrophobicContact CB-CB 3.8Å; C208-C221 WeakPolarHBondContact CB-SG 3.32Å; C208-C221 WeakPolarHBondContact SG-CB 3.35Å; C208-C221 CovalentContact SG-SG 2.03Å; C208-C221 PolarHBondContact SG-SG 2.98Å
209K94.8Very high89.6Confident67 Ų6759.2 Ų59.229%0.29132%0.317SS..  trans-71.9120.1171.1-68.2-179.7-171.6169.40109.3I217 E227 N228 N229K209-I217 HydrophobicContact CB-CD1 4.16Å; K209-I217 PolarHBondContact O-N 3.46Å; K209-E227 PolarHBondContact NZ-O 2.93Å; K209-N228 WeakPolarHBondContact CD-O 3.31Å; K209-N228 WeakPolarHBondContact CE-O 3.46Å; K209-N228 PolarHBondContact NZ-O 2.81Å; K209-N229 PolarHBondContact N-O 2.98Å
210L89.5Confident89.6Confident28 Ų2856.9 Ų56.915%0.14731%0.306CS..BIsolated β-bridgetrans-104.8150.2177.5-52.4-175.2000110.7P168 C208 Y214 A215 I216P168-L210 HydrophobicContact CB-CB 4.46Å; P168-L210 HydrophobicContact CB-CD1 3.93Å; P168-L210 HydrophobicContact CB-CG 4.42Å; P168-L210 HydrophobicContact CG-CD1 3.69Å; C208-L210 HydrophobicContact CB-CD2 4.46Å; C208-L210 PolarHBondContact O-N 3.24Å; L210-Y214 HydrophobicContact CD1-CD1 4.23Å; L210-A215 CarbonylContact C-O 3.55Å; L210-A215 VanDerWaalsContact CA-O 3.29Å; L210-A215 WeakPolarHBondContact CA-O 3.19Å; L210-I216 HydrophobicContact CD2-CB 4.3Å; L210-I216 HydrophobicContact CD2-CG1 3.75Å
211N82.9Confident89.7Confident69 Ų6950.9 Ų50.937%0.36927%0.274SS..  trans-84-176.9171.570.816.7000111.6N213 Y214 A215 I217N211-N213 PolarHBondContact O-N 3.23Å; N211-N213 VanDerWaalsContact O-N 3.12Å; N211-N213 WeakPolarHBondContact OD1-CA 3.47Å; N211-N213 WeakPolarHBondContact OD1-CB 3.31Å; N211-N213 PolarHBondContact OD1-N 3.4Å; N211-Y214 PolarHBondContact O-N 2.99Å; N211-Y214 PolarHBondContact OD1-N 2.86Å; N211-A215 PolarHBondContact N-O 3.48Å; N211-A215 PolarHBondContact OD1-N 3.44Å; N211-I217 HydrophobicContact CB-CD1 4.32Å; N211-I217 HydrophobicContact CB-CG1 3.94Å
212Q77.6Confident89.6Confident187 Ų18750.8 Ų50.887%0.87427%0.274SS*.THydrogen-bonded Turntrans-61.2-20.6-180-65-177-13.800114.2Y214Q212-Y214 VanDerWaalsContact C-N 3.32Å
213N77Confident89.5Confident139 Ų13953.1 Ų53.174%0.74328%0.28SS*.THydrogen-bonded Turntrans-95.614177.5-60.5-19.3000112.2N211 A215N211-N213 PolarHBondContact O-N 3.23Å; N211-N213 VanDerWaalsContact O-N 3.12Å; N211-N213 WeakPolarHBondContact OD1-CA 3.47Å; N211-N213 WeakPolarHBondContact OD1-CB 3.31Å; N211-N213 PolarHBondContact OD1-N 3.4Å; N213-A215 PolarHBondContact O-N 3.33Å
214Y80.5Confident89.4Confident103 Ų10357.9 Ų57.940%0.40430%0.304SS..SBendtrans57.823.3-173.6-64.7-98000113.4P168 Y193 L210 N211 Q212P168-Y214 HydrophobicContact CB-CE1 4.37Å; P168-Y214 HydrophobicContact CG-CD1 4.46Å; P168-Y214 HydrophobicContact CG-CE1 4.39Å; Y193-Y214 WeakPolarHBondContact CE1-O 3.45Å; Y193-Y214 PolarHBondContact OH-O 2.87Å; L210-Y214 HydrophobicContact CD1-CD1 4.23Å; N211-Y214 PolarHBondContact O-N 2.99Å; N211-Y214 PolarHBondContact OD1-N 2.86Å; Q212-Y214 VanDerWaalsContact C-N 3.32Å
215A83.1Confident89.4Confident43 Ų4359.4 Ų59.436%0.35531%0.31SS..  trans-89.6143.7172.900000110.5L210 N211 N213 I217L210-A215 CarbonylContact C-O 3.55Å; L210-A215 VanDerWaalsContact CA-O 3.29Å; L210-A215 WeakPolarHBondContact CA-O 3.19Å; N211-A215 PolarHBondContact N-O 3.48Å; N211-A215 PolarHBondContact OD1-N 3.44Å; N213-A215 PolarHBondContact O-N 3.33Å; A215-I217 PolarHBondContact O-N 3.23Å
216I86.8Confident89.6Confident35 Ų3562 Ų6218%0.17932%0.324CS..BIsolated β-bridgetrans-61.7127.2174.8-58173.1000108.7Y193 Y198 V205 C208 L210 D218 C221Y193-I216 HydrophobicContact CD1-CD1 4.04Å; Y193-I216 HydrophobicContact CD1-CG1 4.14Å; Y193-I216 HydrophobicContact CE1-CG1 4.14Å; Y198-I216 HydrophobicContact CE2-CD1 4.41Å; Y198-I216 WeakPolarHBondContact OH-CD1 3.27Å; V205-I216 HydrophobicContact CG1-CD1 3.73Å; V205-I216 HydrophobicContact CG1-CG1 4.29Å; C208-I216 HydrophobicContact CB-CG2 4.32Å; L210-I216 HydrophobicContact CD2-CB 4.3Å; L210-I216 HydrophobicContact CD2-CG1 3.75Å; I216-D218 WeakPolarHBondContact CG2-O 3.42Å; I216-C221 HydrophobicContact CG2-CB 4.47Å
217I87Confident89.6Confident109 Ų10967.7 Ų67.756%0.55935%0.351SS*.SBendtrans-74.4-42.9-178.9-66.3170.4000111.1K209 N211 A215K209-I217 HydrophobicContact CB-CD1 4.16Å; K209-I217 PolarHBondContact O-N 3.46Å; N211-I217 HydrophobicContact CB-CD1 4.32Å; N211-I217 HydrophobicContact CB-CG1 3.94Å; A215-I217 PolarHBondContact O-N 3.23Å
218D89.5Confident89.5Confident52 Ų5274.1 Ų74.128%0.27839%0.385SS..  trans-113.3119.3-174.3-173.3-32.7000110.3I216 T220 C221 N229I216-D218 WeakPolarHBondContact CG2-O 3.42Å; D218-T220 PolarHBondContact O-N 2.96Å; D218-T220 VanDerWaalsContact O-N 3.12Å; D218-T220 VanDerWaalsContact OD1-CB 3.32Å; D218-T220 WeakPolarHBondContact OD1-CB 3.49Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.36Å; D218-T220 PolarHBondContact OD1-N 3.44Å; D218-T220 PolarHBondContact OD1-OG1 3.15Å; D218-T220 PolarHBondContact OD2-OG1 3.38Å; D218-C221 PolarHBondContact O-N 3.41Å; D218-C221 VanDerWaalsContact O-N 3.11Å; D218-N229 HydrophobicContact CB-CB 3.75Å; D218-N229 WeakPolarHBondContact OD2-CB 3.48Å
219S87.8Confident89.5Confident102 Ų10274.2 Ų74.271%0.71339%0.386SS*.THydrogen-bonded Turntrans-65.3-13-176.758.10000114.5C221S219-C221 VanDerWaalsContact C-N 3.34Å
220T93.5Very high89.6Confident54 Ų5471.2 Ų71.233%0.33137%0.373SS..THydrogen-bonded Turntrans-75.6-21.1174.663.40000112.9D218 D223 Q224 N229D218-T220 PolarHBondContact O-N 2.96Å; D218-T220 VanDerWaalsContact O-N 3.12Å; D218-T220 VanDerWaalsContact OD1-CB 3.32Å; D218-T220 WeakPolarHBondContact OD1-CB 3.49Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.36Å; D218-T220 PolarHBondContact OD1-N 3.44Å; D218-T220 PolarHBondContact OD1-OG1 3.15Å; D218-T220 PolarHBondContact OD2-OG1 3.38Å; T220-D223 CarbonylContact O-C 3.57Å; T220-D223 WeakPolarHBondContact O-CB 3.49Å; T220-D223 PolarHBondContact O-N 3.39Å; T220-D223 VanDerWaalsContact O-N 3.11Å; T220-Q224 PolarHBondContact O-N 2.71Å; T220-N229 PolarHBondContact OG1-ND2 2.93Å
221C94Very high89.9Confident0 Ų070.9 Ų70.90%037%0.371CS..THydrogen-bonded Turntrans-94.5140.9176.3-162.30000110C208 I216 D218 S219 N229C208-C221 WeakPolarHBondContact CA-SG 3.5Å; C208-C221 HydrophobicContact CB-CB 3.8Å; C208-C221 WeakPolarHBondContact CB-SG 3.32Å; C208-C221 WeakPolarHBondContact SG-CB 3.35Å; C208-C221 CovalentContact SG-SG 2.03Å; C208-C221 PolarHBondContact SG-SG 2.98Å; I216-C221 HydrophobicContact CG2-CB 4.47Å; D218-C221 PolarHBondContact O-N 3.41Å; D218-C221 VanDerWaalsContact O-N 3.11Å; S219-C221 VanDerWaalsContact C-N 3.34Å; C221-N229 HydrophobicContact CB-CB 4.33Å
222P94.1Very high90.6Very high1 Ų169.9 Ų69.91%0.00636%0.363CS..THydrogen-bonded Turncis-88.112.62.138.8-42.1000115.6Y198 I201 V205 Q224 F225Y198-P222 VanDerWaalsContact CD1-CD 3.48Å; Y198-P222 HydrophobicContact CD1-CG 3.55Å; Y198-P222 HydrophobicContact CD2-CG 4.02Å; Y198-P222 VanDerWaalsContact CE1-CD 3.41Å; Y198-P222 HydrophobicContact CE1-CG 4.02Å; Y198-P222 HydrophobicContact CE2-CG 4.46Å; Y198-P222 HydrophobicContact CG-CG 3.53Å; I201-P222 HydrophobicContact CB-CB 4.3Å; I201-P222 HydrophobicContact CG2-CB 3.91Å; I201-P222 HydrophobicContact CG2-CG 3.71Å; V205-P222 HydrophobicContact CG2-CG 4.18Å; P222-Q224 VanDerWaalsContact C-N 3.28Å; P222-Q224 PolarHBondContact O-N 2.92Å; P222-F225 HydrophobicContact CB-CE1 4.31Å; P222-F225 HydrophobicContact CB-CE2 3.89Å; P222-F225 HydrophobicContact CB-CZ 3.45Å; P222-F225 VanDerWaalsContact CB-CZ 3.45Å; P222-F225 WeakPolarHBondContact O-CE2 3.27Å
223D93.1Very high91.5Very high93 Ų9366.3 Ų66.350%0.49734%0.344SS..THydrogen-bonded Turntrans-66-33.9179.6-62.7-39.6000111.2K196 T220K196-D223 IonicContact NZ-OD2 2.68Å; K196-D223 PolarHBondContact NZ-OD2 3.41Å; T220-D223 CarbonylContact O-C 3.57Å; T220-D223 WeakPolarHBondContact O-CB 3.49Å; T220-D223 PolarHBondContact O-N 3.39Å; T220-D223 VanDerWaalsContact O-N 3.11Å
224Q94Very high92.4Very high131 Ų13163 Ų6361%0.61233%0.329SS*.SBendtrans-136.5133.9172-65.5-173.4-1300110.8T220 P222 N229T220-Q224 PolarHBondContact O-N 2.71Å; P222-Q224 VanDerWaalsContact C-N 3.28Å; P222-Q224 PolarHBondContact O-N 2.92Å; Q224-N229 PolarHBondContact O-ND2 2.68Å
225F95.5Very high93.3Very high32 Ų3259 Ų5914%0.1432%0.319CS..  trans-105.8127.1176.7-68.3-94.1000110.7A202 Y203 C207 P222 Y232A202-F225 HydrophobicContact CB-CD2 4.1Å; A202-F225 HydrophobicContact CB-CE2 4.17Å; Y203-F225 HydrophobicContact CD2-CB 4.06Å; Y203-F225 AromaticContact CD2-CD1 3.85Å; Y203-F225 HydrophobicContact CD2-CD1 3.85Å; Y203-F225 AromaticContact CD2-CD2 3.72Å; Y203-F225 HydrophobicContact CD2-CD2 3.72Å; Y203-F225 HydrophobicContact CD2-CE1 4.22Å; Y203-F225 HydrophobicContact CD2-CE2 4.08Å; Y203-F225 AromaticContact CD2-CG 3.6Å; Y203-F225 HydrophobicContact CD2-CG 3.6Å; Y203-F225 HydrophobicContact CD2-CZ 4.32Å; Y203-F225 HydrophobicContact CE2-CB 4.32Å; Y203-F225 HydrophobicContact CE2-CG 4.34Å; Y203-F225 WeakPolarHBondContact O-CZ 3.26Å; C207-F225 HydrophobicContact CB-CE1 4.15Å; P222-F225 HydrophobicContact CB-CE1 4.31Å; P222-F225 HydrophobicContact CB-CE2 3.89Å; P222-F225 HydrophobicContact CB-CZ 3.45Å; P222-F225 VanDerWaalsContact CB-CZ 3.45Å; P222-F225 WeakPolarHBondContact O-CE2 3.27Å; F225-Y232 HydrophobicContact CB-CD1 4.23Å; F225-Y232 HydrophobicContact CB-CG 4.38Å
226N95.7Very high94Very high54 Ų5456.9 Ų56.929%0.28930%0.302SS..  trans-145.4171.6173.264.959.2000110.8N228 N229 S230N226-N228 PolarHBondContact O-N 2.92Å; N226-N228 WeakPolarHBondContact OD1-CA 3.46Å; N226-N228 WeakPolarHBondContact OD1-CB 3.29Å; N226-N228 PolarHBondContact OD1-N 2.82Å; N226-N229 PolarHBondContact N-OD1 2.95Å; N226-N229 PolarHBondContact ND2-ND2 3.37Å; N226-N229 VanDerWaalsContact ND2-ND2 3.19Å; N226-N229 PolarHBondContact O-N 3.3Å; N226-N229 PolarHBondContact O-OD1 3.33Å; N226-N229 PolarHBondContact OD1-N 2.96Å; N226-N229 PolarHBondContact OD1-OD1 3.32Å; N226-S230 PolarHBondContact N-OG 3.34Å; N226-S230 PolarHBondContact O-N 3Å; N226-S230 PolarHBondContact O-OG 2.92Å
227E93.2Very high94.5Very high123 Ų12360.8 Ų60.858%0.57531%0.314SS*.THydrogen-bonded Turntrans-65.7-22.1-176.6-62.4178.4-17900113.5K209 K233K209-E227 PolarHBondContact NZ-O 2.93Å; E227-K233 HydrophobicContact CG-CD 4.2Å; E227-K233 WeakPolarHBondContact OE1-CE 3.33Å; E227-K233 IonicContact OE1-NZ 3.98Å; E227-K233 PolarHBondContact OE1-NZ 3.44Å
228N94.6Very high94.9Very high135 Ų13557.6 Ų57.672%0.72231%0.308SS*.THydrogen-bonded Turntrans-83.1-38.7-179.6-64.1-34.2000111.7K209 N226K209-N228 WeakPolarHBondContact CD-O 3.31Å; K209-N228 WeakPolarHBondContact CE-O 3.46Å; K209-N228 PolarHBondContact NZ-O 2.81Å; N226-N228 PolarHBondContact O-N 2.92Å; N226-N228 WeakPolarHBondContact OD1-CA 3.46Å; N226-N228 WeakPolarHBondContact OD1-CB 3.29Å; N226-N228 PolarHBondContact OD1-N 2.82Å
229N96.1Very high95.3Very high2 Ų257.4 Ų57.41%0.01131%0.31CS..THydrogen-bonded Turntrans-101-12.5-17374.61.6000114.8K209 D218 T220 C221 Q224 N226K209-N229 PolarHBondContact N-O 2.98Å; D218-N229 HydrophobicContact CB-CB 3.75Å; D218-N229 WeakPolarHBondContact OD2-CB 3.48Å; T220-N229 PolarHBondContact OG1-ND2 2.93Å; C221-N229 HydrophobicContact CB-CB 4.33Å; Q224-N229 PolarHBondContact O-ND2 2.68Å; N226-N229 PolarHBondContact N-OD1 2.95Å; N226-N229 PolarHBondContact ND2-ND2 3.37Å; N226-N229 VanDerWaalsContact ND2-ND2 3.19Å; N226-N229 PolarHBondContact O-N 3.3Å; N226-N229 PolarHBondContact O-OD1 3.33Å; N226-N229 PolarHBondContact OD1-N 2.96Å; N226-N229 PolarHBondContact OD1-OD1 3.32Å
230S96.7Very high95.7Very high4 Ų453.3 Ų53.33%0.02828%0.28CS..BIsolated β-bridgetrans-146165.8-172.570.70000113C207 N226 Y232C207-S230 CarbonylContact O-C 3.58Å; C207-S230 WeakPolarHBondContact O-CA 3.37Å; C207-S230 VanDerWaalsContact O-CB 3.28Å; C207-S230 WeakPolarHBondContact O-CB 3.28Å; N226-S230 PolarHBondContact N-OG 3.34Å; N226-S230 PolarHBondContact O-N 3Å; N226-S230 PolarHBondContact O-OG 2.92Å; S230-Y232 VanDerWaalsContact OG-CD1 3.24Å; S230-Y232 WeakPolarHBondContact OG-CD1 3.37Å
231N96.6Very high95.9Very high21 Ų2152.8 Ų52.811%0.11227%0.273CS..  trans-109.821.7178.3-58.5-48.9000111.9Q171 C173 C207 K233 T234Q171-N231 WeakPolarHBondContact O-CB 3.27Å; Q171-N231 VanDerWaalsContact O-CG 3.32Å; C173-N231 WeakPolarHBondContact CB-O 3.5Å; C207-N231 PolarHBondContact O-N 2.73Å; N231-K233 PolarHBondContact O-N 3.46Å; N231-T234 PolarHBondContact O-N 2.91Å
232Y96.4Very high96Very high47 Ų4759.7 Ų59.718%0.18431%0.305CS..THydrogen-bonded Turntrans-60.3-23-171.182.7-75.3000114.5N177 G178 Y203 F225 S230N177-Y232 WeakPolarHBondContact CB-O 3.39Å; G178-Y232 PolarHBondContact N-O 3.44Å; Y203-Y232 HydrophobicContact CD2-CD2 4.12Å; Y203-Y232 HydrophobicContact CD2-CG 4.25Å; Y203-Y232 AromaticContact CE2-CD2 3.41Å; Y203-Y232 HydrophobicContact CE2-CD2 3.41Å; Y203-Y232 VanDerWaalsContact CE2-CD2 3.41Å; Y203-Y232 HydrophobicContact CE2-CE2 4.04Å; Y203-Y232 AromaticContact CE2-CG 3.99Å; Y203-Y232 HydrophobicContact CE2-CG 3.99Å; Y203-Y232 AromaticContact CZ-CD2 3.74Å; F225-Y232 HydrophobicContact CB-CD1 4.23Å; F225-Y232 HydrophobicContact CB-CG 4.38Å; S230-Y232 VanDerWaalsContact OG-CD1 3.24Å; S230-Y232 WeakPolarHBondContact OG-CD1 3.37Å
233K96.5Very high96.1Very high113 Ų11362.8 Ų62.849%0.49132%0.321SS..THydrogen-bonded Turntrans-85.8-12.5176.6-63.2-170.4-177.7-176.80114.1E227 N231E227-K233 HydrophobicContact CG-CD 4.2Å; E227-K233 WeakPolarHBondContact OE1-CE 3.33Å; E227-K233 IonicContact OE1-NZ 3.98Å; E227-K233 PolarHBondContact OE1-NZ 3.44Å; N231-K233 PolarHBondContact O-N 3.46Å
234T97Very high96.2Very high70 Ų7061.5 Ų61.543%0.42931%0.312SS..  trans-103.8111-172.4-560000110.2C172 C173 N231C172-T234 CarbonylContact C-O 3.57Å; C172-T234 VanDerWaalsContact CA-O 3.23Å; C172-T234 WeakPolarHBondContact CA-O 3.39Å; C172-T234 HydrophobicContact CB-CG2 4.33Å; C172-T234 WeakPolarHBondContact CB-O 3.35Å; C173-T234 PolarHBondContact N-O 2.98Å; N231-T234 PolarHBondContact O-N 2.91Å
235G97.6Very high96.3Very high17 Ų1756.2 Ų56.218%0.17529%0.287CS..  trans-75.5150.5176.300000114.4V175 N176V175-G235 CarbonylContact O-C 3.58Å; V175-G235 WeakPolarHBondContact O-CA 3.17Å; N176-G235 WeakPolarHBondContact O-CA 3.43Å; N176-G235 PolarHBondContact O-N 2.99Å; N176-G235 VanDerWaalsContact O-N 3.14Å
236C97.9Very high96.3Very high0 Ų060.3 Ų60.30%031%0.305CS..SBendtrans-79.2-14.2179.3-61.80000114.3F143 C172 G174 V175 G238 L240F143-C236 HydrophobicContact CD1-CB 4.28Å; F143-C236 HydrophobicContact CE1-CB 3.62Å; F143-C236 HydrophobicContact CZ-CB 4.25Å; C172-C236 HydrophobicContact CB-CB 3.89Å; C172-C236 WeakPolarHBondContact CB-SG 3.39Å; C172-C236 WeakPolarHBondContact SG-CA 3.27Å; C172-C236 WeakPolarHBondContact SG-CB 3.47Å; C172-C236 CovalentContact SG-SG 2.03Å; C172-C236 PolarHBondContact SG-SG 2.9Å; G174-C236 WeakPolarHBondContact O-CB 3.3Å; G174-C236 PolarHBondContact O-N 3.33Å; G174-C236 PolarHBondContact O-SG 2.96Å; V175-C236 PolarHBondContact O-N 3.42Å; C236-G238 PolarHBondContact O-N 3.28Å; C236-L240 HydrophobicContact CB-CB 4.38Å; C236-L240 WeakPolarHBondContact O-CA 3.48Å; C236-L240 WeakPolarHBondContact O-CB 3.43Å; C236-L240 PolarHBondContact O-N 2.97Å
237R98Very high96.2Very high116 Ų11664.9 Ų64.944%0.43832%0.319SS..Hα-helixtrans-49.1-49.9-173.3178.4-179.9-70.8-106.5-6.6114I140 V175 N176 K241I140-R237 WeakPolarHBondContact CD1-O 3.31Å; I140-R237 HydrophobicContact CG2-CG 4.2Å; V175-R237 HydrophobicContact CG1-CB 4.16Å; V175-R237 WeakPolarHBondContact O-CB 3.35Å; V175-R237 PolarHBondContact O-N 3.21Å; N176-R237 PolarHBondContact OD1-NE 2.98Å; R237-K241 VanDerWaalsContact O-CB 3.23Å; R237-K241 WeakPolarHBondContact O-CB 3.4Å; R237-K241 PolarHBondContact O-N 3.27Å
238G96.3Very high96.3Very high43 Ų4361.8 Ų61.844%0.44331%0.306SS..Hα-helixtrans-69.5-64179.600000112.2C236 L240 K241 E242C236-G238 PolarHBondContact O-N 3.28Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 3.36Å; G238-K241 PolarHBondContact O-N 2.82Å; G238-K241 VanDerWaalsContact O-N 3.16Å; G238-E242 PolarHBondContact O-N 3.5Å
239P97Very high96.4Very high47 Ų4756.6 Ų56.631%0.30528%0.278SS..Hα-helixtrans-55.7-39.1-178.2-27.335000113.8L170 L243L170-P239 HydrophobicContact CB-CB 4.38Å; L170-P239 HydrophobicContact CD1-CB 4.5Å; L170-P239 HydrophobicContact CD2-CB 4.09Å; P239-L243 VanDerWaalsContact O-CB 3.26Å; P239-L243 WeakPolarHBondContact O-CB 3.39Å; P239-L243 PolarHBondContact O-N 3.47Å
240L96.8Very high96.3Very high17 Ų1762.8 Ų62.89%0.08931%0.305CS..Hα-helixtrans-67.9-46.2178.6-179.858.1000111.5I140 F143 I166 L170 C236 G238 E242 L243 F244I140-L240 HydrophobicContact CD1-CB 3.78Å; I140-L240 HydrophobicContact CD1-CD2 3.69Å; I140-L240 HydrophobicContact CD1-CG 3.71Å; F143-L240 HydrophobicContact CB-CD2 3.53Å; F143-L240 HydrophobicContact CD1-CD2 3.68Å; F143-L240 HydrophobicContact CD2-CD2 4.05Å; F143-L240 HydrophobicContact CE1-CD2 4.42Å; F143-L240 HydrophobicContact CG-CD2 3.47Å; F143-L240 VanDerWaalsContact CG-CD2 3.47Å; I166-L240 HydrophobicContact CD1-CD1 4.44Å; I166-L240 HydrophobicContact CG2-CD1 3.84Å; I166-L240 HydrophobicContact CG2-CD2 4.35Å; L170-L240 HydrophobicContact CD1-CB 3.83Å; L170-L240 HydrophobicContact CD1-CD1 3.93Å; L170-L240 HydrophobicContact CD1-CG 4.48Å; C236-L240 HydrophobicContact CB-CB 4.38Å; C236-L240 WeakPolarHBondContact O-CA 3.48Å; C236-L240 WeakPolarHBondContact O-CB 3.43Å; C236-L240 PolarHBondContact O-N 2.97Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 3.36Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 2.9Å; L240-L243 PolarHBondContact O-N 2.93Å; L240-F244 WeakPolarHBondContact O-CB 3.45Å; L240-F244 PolarHBondContact O-N 2.72Å
241K97.3Very high96.2Very high43 Ų4366.4 Ų66.419%0.18733%0.327CS..Hα-helixtrans-62.4-45.2178.6-178173.8174.6178.30110.4D133 N137 I140 R237 G238 F244 L245D133-K241 WeakPolarHBondContact OD1-CE 3.4Å; D133-K241 IonicContact OD1-NZ 2.69Å; D133-K241 PolarHBondContact OD1-NZ 3.43Å; N137-K241 PolarHBondContact OD1-NZ 2.85Å; I140-K241 HydrophobicContact CD1-CB 4.02Å; I140-K241 HydrophobicContact CG1-CB 4.15Å; R237-K241 VanDerWaalsContact O-CB 3.23Å; R237-K241 WeakPolarHBondContact O-CB 3.4Å; R237-K241 PolarHBondContact O-N 3.27Å; G238-K241 PolarHBondContact O-N 2.82Å; G238-K241 VanDerWaalsContact O-N 3.16Å; K241-F244 PolarHBondContact O-N 3.48Å; K241-L245 HydrophobicContact CG-CD1 3.95Å; K241-L245 HydrophobicContact CG-CG 4.3Å; K241-L245 WeakPolarHBondContact O-CB 3.08Å; K241-L245 VanDerWaalsContact O-CG 3.23Å; K241-L245 WeakPolarHBondContact O-CG 3.3Å; K241-L245 PolarHBondContact O-N 2.97Å
242E96.7Very high96.1Very high144 Ų14465.5 Ų65.567%0.67332%0.322SS*.Hα-helixtrans-61.8-49.7178.9-172.8-176.6160.600111.7G238 L240 F244 L245 K246G238-E242 PolarHBondContact O-N 3.5Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 2.9Å; E242-F244 PolarHBondContact O-N 2.67Å; E242-L245 PolarHBondContact O-N 3.21Å; E242-K246 VanDerWaalsContact O-CB 3.32Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.45Å
243L95.5Very high96.1Very high66 Ų6669.8 Ų69.835%0.34634%0.339SS..Hα-helixtrans-61.7-46179.1-173.168.3000111.4L170 P239 L240 K246 Y247L170-L243 HydrophobicContact CD2-CB 4.2Å; L170-L243 HydrophobicContact CD2-CD2 3.64Å; L170-L243 HydrophobicContact CD2-CG 4.46Å; L170-L243 HydrophobicContact CG-CD2 4.36Å; P239-L243 VanDerWaalsContact O-CB 3.26Å; P239-L243 WeakPolarHBondContact O-CB 3.39Å; P239-L243 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 2.93Å; L243-K246 WeakPolarHBondContact O-CB 3.36Å; L243-K246 PolarHBondContact O-N 3.02Å; L243-Y247 HydrophobicContact CD1-CD2 4.04Å; L243-Y247 HydrophobicContact CD1-CE2 3.54Å; L243-Y247 HydrophobicContact CD2-CE2 4.38Å; L243-Y247 HydrophobicContact CG-CD2 4Å; L243-Y247 HydrophobicContact CG-CE2 3.83Å; L243-Y247 VanDerWaalsContact O-CD2 3.3Å; L243-Y247 WeakPolarHBondContact O-CD2 3.37Å; L243-Y247 PolarHBondContact O-N 3.38Å; L243-Y247 VanDerWaalsContact O-N 3.12Å
244F95.4Very high96Very high67 Ų6766.4 Ų66.429%0.29434%0.336SS..Hα-helixtrans-60.8-48179.3177.2-94.5000111.4I135 A139 L240 K241 E242 K246 Y247 M248I135-F244 HydrophobicContact CG2-CE1 3.95Å; I135-F244 HydrophobicContact CG2-CZ 4.29Å; A139-F244 HydrophobicContact CB-CD1 3.78Å; A139-F244 HydrophobicContact CB-CD2 3.92Å; A139-F244 HydrophobicContact CB-CE1 3.86Å; A139-F244 HydrophobicContact CB-CE2 3.99Å; A139-F244 HydrophobicContact CB-CG 3.82Å; A139-F244 HydrophobicContact CB-CZ 3.96Å; L240-F244 WeakPolarHBondContact O-CB 3.45Å; L240-F244 PolarHBondContact O-N 2.72Å; K241-F244 PolarHBondContact O-N 3.48Å; E242-F244 PolarHBondContact O-N 2.67Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 3.39Å; F244-Y247 PolarHBondContact O-N 3.08Å; F244-M248 HydrophobicContact CD1-CG 4.16Å; F244-M248 HydrophobicContact CE1-CG 3.7Å; F244-M248 HydrophobicContact CE2-CG 4.1Å; F244-M248 HydrophobicContact CZ-CG 3.67Å; F244-M248 HydrophobicContact CZ-SD 4.17Å; F244-M248 WeakPolarHBondContact O-CB 3.42Å; F244-M248 VanDerWaalsContact O-CG 3.31Å; F244-M248 WeakPolarHBondContact O-CG 3.46Å; F244-M248 PolarHBondContact O-N 3.42Å
245L96.1Very high95.8Very high20 Ų2065.1 Ų65.111%0.10533%0.326CS..Hα-helixtrans-63.4-40.2178.1-71.6-177.4000112.1Y128 K132 K241 E242 Y247 M248 D249Y128-L245 PolarHBondContact OH-O 2.85Å; K132-L245 HydrophobicContact CG-CD1 4.34Å; K132-L245 HydrophobicContact CG-CD2 3.64Å; K132-L245 WeakPolarHBondContact O-CD2 3.14Å; K241-L245 HydrophobicContact CG-CD1 3.95Å; K241-L245 HydrophobicContact CG-CG 4.3Å; K241-L245 WeakPolarHBondContact O-CB 3.08Å; K241-L245 VanDerWaalsContact O-CG 3.23Å; K241-L245 WeakPolarHBondContact O-CG 3.3Å; K241-L245 PolarHBondContact O-N 2.97Å; E242-L245 PolarHBondContact O-N 3.21Å; L245-Y247 PolarHBondContact O-N 3.3Å; L245-M248 PolarHBondContact O-N 2.9Å; L245-D249 WeakPolarHBondContact O-CB 3.3Å; L245-D249 VanDerWaalsContact O-CG 3.24Å; L245-D249 PolarHBondContact O-N 3.38Å
246K95.8Very high95.8Very high118 Ų11867.1 Ų67.151%0.51333%0.332SS..Hα-helixtrans-57.5-47.2176.2179.1-179.6179.7178.90112.3E242 L243 F244 D249 F250E242-K246 VanDerWaalsContact O-CB 3.32Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.45Å; L243-K246 WeakPolarHBondContact O-CB 3.36Å; L243-K246 PolarHBondContact O-N 3.02Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 3.39Å; K246-D249 PolarHBondContact O-N 2.99Å; K246-F250 HydrophobicContact CG-CD2 4.4Å; K246-F250 HydrophobicContact CG-CE2 3.96Å; K246-F250 WeakPolarHBondContact O-CD2 3.3Å; K246-F250 PolarHBondContact O-N 2.82Å
247Y93.6Very high95.7Very high150 Ų15069.7 Ų69.759%0.58835%0.354SS*.Hα-helixtrans-68.8-39.7177-79.3-69.3000112.4L243 F244 L245 D249 F250 V251L243-Y247 HydrophobicContact CD1-CD2 4.04Å; L243-Y247 HydrophobicContact CD1-CE2 3.54Å; L243-Y247 HydrophobicContact CD2-CE2 4.38Å; L243-Y247 HydrophobicContact CG-CD2 4Å; L243-Y247 HydrophobicContact CG-CE2 3.83Å; L243-Y247 VanDerWaalsContact O-CD2 3.3Å; L243-Y247 WeakPolarHBondContact O-CD2 3.37Å; L243-Y247 PolarHBondContact O-N 3.38Å; L243-Y247 VanDerWaalsContact O-N 3.12Å; F244-Y247 PolarHBondContact O-N 3.08Å; L245-Y247 PolarHBondContact O-N 3.3Å; Y247-D249 VanDerWaalsContact C-N 3.29Å; Y247-D249 PolarHBondContact O-N 3.47Å; Y247-F250 PolarHBondContact O-N 3.09Å; Y247-V251 WeakPolarHBondContact O-CG2 3.29Å; Y247-V251 PolarHBondContact O-N 2.84Å
248M94.6Very high95.4Very high58 Ų5865.7 Ų65.729%0.28635%0.345SS..Hα-helixtrans-64.6-33.6176.5-73.3-62.7-62.300112.6Y128 F244 L245 V251 A252Y128-M248 HydrophobicContact CD2-CE 4.07Å; Y128-M248 HydrophobicContact CE2-CB 3.59Å; Y128-M248 HydrophobicContact CE2-CE 3.95Å; Y128-M248 HydrophobicContact CE2-CG 4.39Å; Y128-M248 VanDerWaalsContact OH-CB 3.23Å; Y128-M248 WeakPolarHBondContact OH-CB 3.38Å; F244-M248 HydrophobicContact CD1-CG 4.16Å; F244-M248 HydrophobicContact CE1-CG 3.7Å; F244-M248 HydrophobicContact CE2-CG 4.1Å; F244-M248 HydrophobicContact CZ-CG 3.67Å; F244-M248 HydrophobicContact CZ-SD 4.17Å; F244-M248 WeakPolarHBondContact O-CB 3.42Å; F244-M248 VanDerWaalsContact O-CG 3.31Å; F244-M248 WeakPolarHBondContact O-CG 3.46Å; F244-M248 PolarHBondContact O-N 3.42Å; L245-M248 PolarHBondContact O-N 2.9Å; M248-V251 PolarHBondContact O-N 2.86Å; M248-A252 WeakPolarHBondContact O-CB 3.34Å; M248-A252 PolarHBondContact O-N 3.45Å
249D95.7Very high95.4Very high25 Ų2565.3 Ų65.313%0.13433%0.331CS..Hα-helixtrans-63.1-45.2173.3-75.7-38.7000111.1Y128 K132 L245 K246 Y247 V251 A252 Y253Y128-D249 PolarHBondContact OH-N 3.17Å; Y128-D249 PolarHBondContact OH-OD1 3.29Å; Y128-D249 VanDerWaalsContact OH-OD1 3.07Å; K132-D249 WeakPolarHBondContact CE-OD1 3.36Å; K132-D249 WeakPolarHBondContact CE-OD2 3.23Å; K132-D249 IonicContact NZ-OD1 3.63Å; K132-D249 PolarHBondContact NZ-OD1 3.25Å; K132-D249 IonicContact NZ-OD2 2.87Å; K132-D249 PolarHBondContact NZ-OD2 3.48Å; L245-D249 WeakPolarHBondContact O-CB 3.3Å; L245-D249 VanDerWaalsContact O-CG 3.24Å; L245-D249 PolarHBondContact O-N 3.38Å; K246-D249 PolarHBondContact O-N 2.99Å; Y247-D249 VanDerWaalsContact C-N 3.29Å; Y247-D249 PolarHBondContact O-N 3.47Å; D249-V251 VanDerWaalsContact C-N 3.31Å; D249-V251 PolarHBondContact O-N 3.45Å; D249-A252 PolarHBondContact O-N 3.01Å; D249-A252 VanDerWaalsContact O-N 3.15Å; D249-Y253 HydrophobicContact CB-CE2 4.12Å; D249-Y253 WeakPolarHBondContact O-CD2 3.47Å; D249-Y253 PolarHBondContact O-N 3.34Å
250F95.8Very high95.4Very high132 Ų13266.5 Ų66.558%0.57934%0.338SS*.Hα-helixtrans-59.2-42.6175-76.5-62.3000112K246 Y247 Y253 G254K246-F250 HydrophobicContact CG-CD2 4.4Å; K246-F250 HydrophobicContact CG-CE2 3.96Å; K246-F250 WeakPolarHBondContact O-CD2 3.3Å; K246-F250 PolarHBondContact O-N 2.82Å; Y247-F250 PolarHBondContact O-N 3.09Å; F250-Y253 PolarHBondContact O-N 2.83Å; F250-G254 PolarHBondContact O-N 2.98Å
251V93Very high95.2Very high81 Ų8170.7 Ų70.749%0.49136%0.359SS..Hα-helixtrans-61.5-46174.4174.40000110.4Y247 M248 D249 Y253 G254 L255Y247-V251 WeakPolarHBondContact O-CG2 3.29Å; Y247-V251 PolarHBondContact O-N 2.84Å; M248-V251 PolarHBondContact O-N 2.86Å; D249-V251 VanDerWaalsContact C-N 3.31Å; D249-V251 PolarHBondContact O-N 3.45Å; V251-Y253 PolarHBondContact O-N 3.37Å; V251-G254 CarbonylContact O-C 3.48Å; V251-G254 WeakPolarHBondContact O-CA 3.38Å; V251-G254 PolarHBondContact O-N 3.44Å; V251-G254 VanDerWaalsContact O-N 3.11Å; V251-L255 HydrophobicContact CG1-CD1 4.4Å; V251-L255 HydrophobicContact CG1-CG 4.45Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 2.91Å
252A95.4Very high95.1Very high2 Ų270.2 Ų70.22%0.01736%0.358CS..Hα-helixtrans-62.2-40.6179.800000112.8Y128 F129 M248 D249 G254 L255 I256Y128-A252 HydrophobicContact CD1-CB 3.49Å; Y128-A252 VanDerWaalsContact CD1-CB 3.49Å; Y128-A252 HydrophobicContact CE1-CB 3.56Å; Y128-A252 HydrophobicContact CG-CB 4.41Å; F129-A252 HydrophobicContact CE2-CB 3.76Å; F129-A252 HydrophobicContact CZ-CB 3.66Å; M248-A252 WeakPolarHBondContact O-CB 3.34Å; M248-A252 PolarHBondContact O-N 3.45Å; D249-A252 PolarHBondContact O-N 3.01Å; D249-A252 VanDerWaalsContact O-N 3.15Å; A252-G254 VanDerWaalsContact C-N 3.33Å; A252-G254 PolarHBondContact O-N 3.34Å; A252-L255 WeakPolarHBondContact O-CB 3.23Å; A252-L255 PolarHBondContact O-N 3.18Å; A252-I256 WeakPolarHBondContact O-CG1 3.25Å; A252-I256 PolarHBondContact O-N 3.25Å
253Y95.5Very high95Very high137 Ų13766.9 Ų66.954%0.53734%0.344SS..Hα-helixtrans-63.4-39.1172.7-63.9-46000112.3F129 D249 F250 V251 L255 I256 A257F129-Y253 HydrophobicContact CZ-CD1 4.32Å; F129-Y253 AromaticContact CZ-CE1 4Å; F129-Y253 HydrophobicContact CZ-CE1 4Å; D249-Y253 HydrophobicContact CB-CE2 4.12Å; D249-Y253 WeakPolarHBondContact O-CD2 3.47Å; D249-Y253 PolarHBondContact O-N 3.34Å; F250-Y253 PolarHBondContact O-N 2.83Å; V251-Y253 PolarHBondContact O-N 3.37Å; Y253-L255 VanDerWaalsContact C-N 3.34Å; Y253-L255 PolarHBondContact O-N 3.32Å; Y253-I256 HydrophobicContact CD1-CD1 4.4Å; Y253-I256 PolarHBondContact O-N 3.47Å; Y253-A257 PolarHBondContact O-N 2.85Å
254G94Very high94.9Very high41 Ų4167.7 Ų67.742%0.42335%0.349SS..Hα-helixtrans-59.6-42.6171.300000112.6F250 V251 A252 I256 A257 A258F250-G254 PolarHBondContact O-N 2.98Å; V251-G254 CarbonylContact O-C 3.48Å; V251-G254 WeakPolarHBondContact O-CA 3.38Å; V251-G254 PolarHBondContact O-N 3.44Å; V251-G254 VanDerWaalsContact O-N 3.11Å; A252-G254 VanDerWaalsContact C-N 3.33Å; A252-G254 PolarHBondContact O-N 3.34Å; G254-I256 VanDerWaalsContact C-N 3.35Å; G254-I256 PolarHBondContact O-N 2.9Å; G254-A257 PolarHBondContact O-N 2.91Å; G254-A258 WeakPolarHBondContact O-CB 3.36Å; G254-A258 PolarHBondContact O-N 3.21Å
255L94.5Very high94.8Very high44 Ų4465 Ų6523%0.2334%0.338CS..Hα-helixtrans-64.3-36.9176.1-65.9176.8000112.4F121 T124 V251 A252 Y253 A258 F259F121-L255 HydrophobicContact CD1-CB 4.2Å; F121-L255 HydrophobicContact CD1-CD2 3.78Å; F121-L255 HydrophobicContact CE1-CD2 3.37Å; F121-L255 HydrophobicContact CZ-CD2 4.14Å; T124-L255 HydrophobicContact CG2-CD1 4.13Å; V251-L255 HydrophobicContact CG1-CD1 4.4Å; V251-L255 HydrophobicContact CG1-CG 4.45Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 2.91Å; A252-L255 WeakPolarHBondContact O-CB 3.23Å; A252-L255 PolarHBondContact O-N 3.18Å; Y253-L255 VanDerWaalsContact C-N 3.34Å; Y253-L255 PolarHBondContact O-N 3.32Å; L255-A258 PolarHBondContact O-N 2.95Å; L255-F259 WeakPolarHBondContact O-CB 3.06Å; L255-F259 PolarHBondContact O-N 3.36Å
256I96.4Very high94.7Very high59 Ų5965 Ų6530%0.30334%0.339SS..Hα-helixtrans-64.6-45.2174.7-68.4167.5000110.7F125 F129 A252 Y253 G254 A258 F259 V260F125-I256 HydrophobicContact CB-CG1 4.36Å; F125-I256 HydrophobicContact CD1-CG1 3.98Å; F125-I256 HydrophobicContact CD2-CD1 4.3Å; F125-I256 HydrophobicContact CD2-CG1 3.93Å; F125-I256 HydrophobicContact CE1-CG1 4.22Å; F125-I256 HydrophobicContact CE2-CG1 4.23Å; F125-I256 HydrophobicContact CG-CG1 3.84Å; F125-I256 HydrophobicContact CZ-CG1 4.38Å; F129-I256 HydrophobicContact CE2-CD1 3.79Å; F129-I256 HydrophobicContact CZ-CD1 4.41Å; A252-I256 WeakPolarHBondContact O-CG1 3.25Å; A252-I256 PolarHBondContact O-N 3.25Å; Y253-I256 HydrophobicContact CD1-CD1 4.4Å; Y253-I256 PolarHBondContact O-N 3.47Å; G254-I256 VanDerWaalsContact C-N 3.35Å; G254-I256 PolarHBondContact O-N 2.9Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 3.23Å; I256-F259 WeakPolarHBondContact O-CB 3.14Å; I256-F259 PolarHBondContact O-N 3.46Å; I256-V260 PolarHBondContact O-N 3.49Å
257A95.6Very high94.5Very high54 Ų5463.1 Ų63.145%0.44633%0.334SS..Hα-helixtrans-61.6-43.8176.500000111.6Y253 G254 F259 V260 I261Y253-A257 PolarHBondContact O-N 2.85Å; G254-A257 PolarHBondContact O-N 2.91Å; A257-F259 VanDerWaalsContact C-N 3.35Å; A257-F259 PolarHBondContact O-N 2.85Å; A257-V260 PolarHBondContact O-N 3.27Å; A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 2.89Å; A257-I261 VanDerWaalsContact O-N 3.13Å
258A93Very high94.3Very high31 Ų3159.2 Ų59.226%0.25632%0.32SS..Hα-helixtrans-61.2-42174.500000111.9F121 G254 L255 I256 V260 I261 L262F121-A258 HydrophobicContact CD1-CB 4.16Å; F121-A258 HydrophobicContact CE1-CB 3.76Å; G254-A258 WeakPolarHBondContact O-CB 3.36Å; G254-A258 PolarHBondContact O-N 3.21Å; L255-A258 PolarHBondContact O-N 2.95Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 3.23Å; A258-V260 PolarHBondContact O-N 3.23Å; A258-I261 PolarHBondContact O-N 2.75Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 VanDerWaalsContact O-CG 3.27Å; A258-L262 WeakPolarHBondContact O-CG 3.28Å; A258-L262 PolarHBondContact O-N 2.97Å
259F96.3Very high94.2Very high36 Ų3656.5 Ų56.516%0.15831%0.306CS..Hα-helixtrans-57.1-46.1175.1164.6-96.1000112.1T118 F121 L122 F125 L255 I256 A257 I261 L262 L263T118-F259 HydrophobicContact CG2-CD2 3.64Å; T118-F259 HydrophobicContact CG2-CE2 3.5Å; T118-F259 WeakPolarHBondContact O-CD2 3.43Å; F121-F259 HydrophobicContact CB-CB 4.33Å; L122-F259 HydrophobicContact CB-CD2 4.11Å; L122-F259 HydrophobicContact CB-CE2 3.82Å; L122-F259 HydrophobicContact CD1-CE2 3.77Å; L122-F259 HydrophobicContact CD1-CZ 3.81Å; L122-F259 HydrophobicContact CG-CE2 4.31Å; F125-F259 HydrophobicContact CE1-CB 4.1Å; F125-F259 HydrophobicContact CE1-CD1 4.3Å; F125-F259 HydrophobicContact CE1-CD2 4.35Å; F125-F259 AromaticContact CE1-CG 3.99Å; F125-F259 HydrophobicContact CE1-CG 3.99Å; L255-F259 WeakPolarHBondContact O-CB 3.06Å; L255-F259 PolarHBondContact O-N 3.36Å; I256-F259 WeakPolarHBondContact O-CB 3.14Å; I256-F259 PolarHBondContact O-N 3.46Å; A257-F259 VanDerWaalsContact C-N 3.35Å; A257-F259 PolarHBondContact O-N 2.85Å; F259-I261 VanDerWaalsContact C-N 3.34Å; F259-I261 PolarHBondContact O-N 2.87Å; F259-L262 PolarHBondContact O-N 3Å; F259-L263 HydrophobicContact CE1-CD2 4.37Å; F259-L263 HydrophobicContact CZ-CD2 4.29Å; F259-L263 WeakPolarHBondContact O-CB 3.2Å; F259-L263 PolarHBondContact O-N 3.36Å
260V96.3Very high94Very high72 Ų7259.5 Ų59.544%0.43632%0.322SS..Hα-helixtrans-62-43.1178175.10000111I256 A257 A258 L263 L264I256-V260 PolarHBondContact O-N 3.49Å; A257-V260 PolarHBondContact O-N 3.27Å; A258-V260 PolarHBondContact O-N 3.23Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-L264 HydrophobicContact CG1-CD1 4.39Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.27Å
261I93.1Very high93.7Very high104 Ų10456.9 Ų56.953%0.53331%0.314SS..Hα-helixtrans-62.7-47.5177.2-66.1168000110.7A257 A258 F259 L263 L264 V265A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 2.89Å; A257-I261 VanDerWaalsContact O-N 3.13Å; A258-I261 PolarHBondContact O-N 2.75Å; F259-I261 VanDerWaalsContact C-N 3.34Å; F259-I261 PolarHBondContact O-N 2.87Å; I261-L263 VanDerWaalsContact C-N 3.32Å; I261-L263 PolarHBondContact O-N 3.43Å; I261-L264 WeakPolarHBondContact O-CB 3.32Å; I261-L264 PolarHBondContact O-N 3.48Å; I261-V265 WeakPolarHBondContact O-CG2 3.47Å; I261-V265 PolarHBondContact O-N 3.22Å
262L94Very high93.5Very high34 Ų3453.1 Ų53.118%0.17829%0.291CS..Hα-helixtrans-62.2-40.7178.6-68.1173.7000111.6V114 L117 T118 F121 A258 F259 L264 V265 V266V114-L262 HydrophobicContact CG1-CB 4.49Å; V114-L262 HydrophobicContact CG1-CD2 4.09Å; L117-L262 HydrophobicContact CD2-CD1 4.15Å; L117-L262 HydrophobicContact CD2-CD2 4.42Å; L117-L262 HydrophobicContact CG-CD1 4.18Å; T118-L262 HydrophobicContact CG2-CB 4.48Å; T118-L262 WeakPolarHBondContact OG1-CB 3.12Å; F121-L262 HydrophobicContact CD2-CD1 4.26Å; F121-L262 HydrophobicContact CE2-CD1 4.34Å; F121-L262 HydrophobicContact CG-CD1 4.37Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 VanDerWaalsContact O-CG 3.27Å; A258-L262 WeakPolarHBondContact O-CG 3.28Å; A258-L262 PolarHBondContact O-N 2.97Å; F259-L262 PolarHBondContact O-N 3Å; L262-L264 PolarHBondContact O-N 3.46Å; L262-V265 WeakPolarHBondContact O-CB 3.44Å; L262-V265 PolarHBondContact O-N 3.36Å; L262-V266 WeakPolarHBondContact O-CG2 3.41Å; L262-V266 PolarHBondContact O-N 3.19Å
263L95.5Very high93.1Very high73 Ų7353.3 Ų53.338%0.38229%0.291SS..Hα-helixtrans-60.5-45.3175.2-175.867000111.4T118 F259 V260 I261 V265 V266 I267T118-L263 HydrophobicContact CG2-CB 4.29Å; T118-L263 HydrophobicContact CG2-CD1 4.41Å; F259-L263 HydrophobicContact CE1-CD2 4.37Å; F259-L263 HydrophobicContact CZ-CD2 4.29Å; F259-L263 WeakPolarHBondContact O-CB 3.2Å; F259-L263 PolarHBondContact O-N 3.36Å; V260-L263 PolarHBondContact O-N 3.28Å; I261-L263 VanDerWaalsContact C-N 3.32Å; I261-L263 PolarHBondContact O-N 3.43Å; L263-V265 VanDerWaalsContact C-N 3.33Å; L263-V265 PolarHBondContact O-N 3.37Å; L263-V266 PolarHBondContact O-N 2.89Å; L263-I267 HydrophobicContact CG-CD1 4.2Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 3.13Å
264L93.1Very high92.7Very high83 Ų8353.9 Ų53.944%0.43529%0.294SS..Hα-helixtrans-60.5-43.1174.7-71174.1000111.5V260 I261 L262 V266 I267 F268V260-L264 HydrophobicContact CG1-CD1 4.39Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.27Å; I261-L264 WeakPolarHBondContact O-CB 3.32Å; I261-L264 PolarHBondContact O-N 3.48Å; L262-L264 PolarHBondContact O-N 3.46Å; L264-V266 VanDerWaalsContact C-N 3.34Å; L264-V266 PolarHBondContact O-N 2.89Å; L264-I267 PolarHBondContact O-N 2.92Å; L264-F268 HydrophobicContact CB-CD2 4.38Å; L264-F268 HydrophobicContact CB-CE2 4.31Å; L264-F268 WeakPolarHBondContact O-CD2 3.32Å; L264-F268 PolarHBondContact O-N 3.38Å
265V92.8Very high92.3Very high10 Ų1053.9 Ų53.96%0.06128%0.283CS..Hα-helixtrans-59.6-43.8176.5170.20000111.2L11 M14 Y110 V114 I261 L262 L263 F268 T269L11-V265 HydrophobicContact CD2-CG1 4.47Å; M14-V265 HydrophobicContact SD-CG2 3.85Å; Y110-V265 HydrophobicContact CE1-CG1 4.1Å; Y110-V265 WeakPolarHBondContact OH-CG1 3.39Å; V114-V265 HydrophobicContact CG1-CG1 4.26Å; I261-V265 WeakPolarHBondContact O-CG2 3.47Å; I261-V265 PolarHBondContact O-N 3.22Å; L262-V265 WeakPolarHBondContact O-CB 3.44Å; L262-V265 PolarHBondContact O-N 3.36Å; L263-V265 VanDerWaalsContact C-N 3.33Å; L263-V265 PolarHBondContact O-N 3.37Å; V265-F268 PolarHBondContact O-N 3.5Å; V265-T269 VanDerWaalsContact O-CB 3.3Å; V265-T269 WeakPolarHBondContact O-CB 3.4Å; V265-T269 PolarHBondContact O-N 3.37Å; V265-T269 PolarHBondContact O-OG1 3.07Å
266V93.8Very high91.4Very high21 Ų2152.8 Ų52.813%0.12728%0.278CS..Hα-helixtrans-60.9-46.7175.1173.90000110.5V114 L262 L263 L264 F268 T269 L270V114-V266 HydrophobicContact CB-CG2 4.06Å; V114-V266 HydrophobicContact CG1-CG2 3.61Å; L262-V266 WeakPolarHBondContact O-CG2 3.41Å; L262-V266 PolarHBondContact O-N 3.19Å; L263-V266 PolarHBondContact O-N 2.89Å; L264-V266 VanDerWaalsContact C-N 3.34Å; L264-V266 PolarHBondContact O-N 2.89Å; V266-F268 PolarHBondContact O-N 2.99Å; V266-T269 WeakPolarHBondContact O-CB 3.38Å; V266-T269 PolarHBondContact O-N 3.37Å; V266-L270 HydrophobicContact CG1-CD1 3.96Å; V266-L270 HydrophobicContact CG1-CG 4.33Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.33Å
267I92.4Very high89.8Confident79 Ų7954.6 Ų54.641%0.40529%0.291SS..Hα-helixtrans-59.7-49.3178.2-66.7167.3000110.8L263 L264 T269 L270 L271L263-I267 HydrophobicContact CG-CD1 4.2Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 3.13Å; L264-I267 PolarHBondContact O-N 2.92Å; I267-T269 VanDerWaalsContact C-N 3.28Å; I267-T269 PolarHBondContact O-N 3.46Å; I267-L270 PolarHBondContact O-N 3.29Å; I267-L271 HydrophobicContact CG2-CD1 3.9Å; I267-L271 HydrophobicContact CG2-CG 4.29Å; I267-L271 WeakPolarHBondContact O-CB 3.39Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 2.93Å; I267-L271 PolarHBondContact O-N 2.71Å
268F90.3Very high87.8Confident68 Ų6859.9 Ų59.930%0.29831%0.311SS..Hα-helixtrans-61.9-36.3177.7-78.2-61.7000112.7L11 L264 V265 V266 T272L11-F268 HydrophobicContact CD2-CB 4.16Å; L264-F268 HydrophobicContact CB-CD2 4.38Å; L264-F268 HydrophobicContact CB-CE2 4.31Å; L264-F268 WeakPolarHBondContact O-CD2 3.32Å; L264-F268 PolarHBondContact O-N 3.38Å; V265-F268 PolarHBondContact O-N 3.5Å; V266-F268 PolarHBondContact O-N 2.99Å; F268-T272 WeakPolarHBondContact O-CB 3.33Å; F268-T272 PolarHBondContact O-N 2.94Å; F268-T272 PolarHBondContact O-OG1 3.05Å
269T91.8Very high87.5Confident0 Ų061.4 Ų61.40%031%0.313CS..Hα-helixtrans-64.5-49.3175.6-58.30000110.8L107 Y110 A111 V265 V266 I267 L271 T272 I273L107-T269 HydrophobicContact CD1-CG2 3.68Å; L107-T269 HydrophobicContact CG-CG2 3.72Å; Y110-T269 HydrophobicContact CD1-CG2 3.75Å; Y110-T269 HydrophobicContact CE1-CG2 4.15Å; Y110-T269 WeakPolarHBondContact CE1-OG1 3.24Å; A111-T269 HydrophobicContact CB-CG2 3.79Å; V265-T269 VanDerWaalsContact O-CB 3.3Å; V265-T269 WeakPolarHBondContact O-CB 3.4Å; V265-T269 PolarHBondContact O-N 3.37Å; V265-T269 PolarHBondContact O-OG1 3.07Å; V266-T269 WeakPolarHBondContact O-CB 3.38Å; V266-T269 PolarHBondContact O-N 3.37Å; I267-T269 VanDerWaalsContact C-N 3.28Å; I267-T269 PolarHBondContact O-N 3.46Å; T269-L271 PolarHBondContact O-N 2.71Å; T269-T272 WeakPolarHBondContact O-CB 3.36Å; T269-T272 PolarHBondContact O-N 3.38Å; T269-I273 HydrophobicContact CG2-CD1 4.23Å; T269-I273 WeakPolarHBondContact O-CG1 3.5Å; T269-I273 PolarHBondContact O-N 2.86Å
270L91.5Very high87.1Confident89 Ų8962.7 Ų62.747%0.46632%0.321SS..Hα-helixtrans-64.3-39.8178-67.9176000112.2A111 V266 I267 I273 Y274A111-L270 HydrophobicContact CB-CD2 4.4Å; V266-L270 HydrophobicContact CG1-CD1 3.96Å; V266-L270 HydrophobicContact CG1-CG 4.33Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.33Å; I267-L270 PolarHBondContact O-N 3.29Å; L270-I273 HydrophobicContact CD2-CD1 4.45Å; L270-I273 PolarHBondContact O-N 3.41Å; L270-Y274 WeakPolarHBondContact O-CB 3.4Å; L270-Y274 PolarHBondContact O-N 3.15Å
271L89.3Confident86.5Confident77 Ų7762.2 Ų62.240%0.40332%0.315SS..Hα-helixtrans-61.5-43.6173-72.7174.1000111.2I267 T269 I273 Y274 I275I267-L271 HydrophobicContact CG2-CD1 3.9Å; I267-L271 HydrophobicContact CG2-CG 4.29Å; I267-L271 WeakPolarHBondContact O-CB 3.39Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 2.93Å; I267-L271 PolarHBondContact O-N 2.71Å; T269-L271 PolarHBondContact O-N 2.71Å; L271-I273 VanDerWaalsContact C-N 3.34Å; L271-I273 PolarHBondContact O-N 3.35Å; L271-Y274 PolarHBondContact O-N 3.05Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.39Å
272T88Confident86.2Confident1 Ų159.7 Ų59.71%0.00630%0.302CS..Hα-helixtrans-60.6-45.3176.3-57.60000110.9C7 R8 L11 L107 F268 T269 Y274 D276C7-T272 WeakPolarHBondContact CB-OG1 3.36Å; R8-T272 HydrophobicContact CG-CG2 3.71Å; L11-T272 HydrophobicContact CD1-CG2 4.29Å; L11-T272 VanDerWaalsContact CD1-OG1 3.3Å; L11-T272 WeakPolarHBondContact CD1-OG1 3.43Å; L107-T272 HydrophobicContact CD2-CG2 3.96Å; F268-T272 WeakPolarHBondContact O-CB 3.33Å; F268-T272 PolarHBondContact O-N 2.94Å; F268-T272 PolarHBondContact O-OG1 3.05Å; T269-T272 WeakPolarHBondContact O-CB 3.36Å; T269-T272 PolarHBondContact O-N 3.38Å; T272-Y274 PolarHBondContact O-N 3.05Å; T272-D276 WeakPolarHBondContact O-CB 3.24Å; T272-D276 PolarHBondContact O-N 3.36Å
273I88.8Confident85.7Confident7 Ų761.3 Ų61.34%0.03631%0.31CS..Hα-helixtrans-59-46.6175-67.2168.2000111L107 Y108 T269 L270 L271 D276 V277L107-I273 HydrophobicContact CB-CD1 4.32Å; L107-I273 HydrophobicContact CB-CG1 4.19Å; L107-I273 HydrophobicContact CD2-CD1 4.26Å; L107-I273 HydrophobicContact CD2-CG1 3.44Å; L107-I273 VanDerWaalsContact CD2-CG1 3.44Å; L107-I273 HydrophobicContact CG-CD1 3.99Å; L107-I273 HydrophobicContact CG-CG1 3.73Å; Y108-I273 HydrophobicContact CD1-CD1 3.92Å; Y108-I273 HydrophobicContact CE1-CD1 4.06Å; Y108-I273 HydrophobicContact CE1-CG2 3.8Å; Y108-I273 HydrophobicContact CE2-CG2 3.92Å; Y108-I273 HydrophobicContact CG-CD1 4.23Å; Y108-I273 VanDerWaalsContact OH-CG2 3.24Å; Y108-I273 WeakPolarHBondContact OH-CG2 3.28Å; T269-I273 HydrophobicContact CG2-CD1 4.23Å; T269-I273 WeakPolarHBondContact O-CG1 3.5Å; T269-I273 PolarHBondContact O-N 2.86Å; L270-I273 HydrophobicContact CD2-CD1 4.45Å; L270-I273 PolarHBondContact O-N 3.41Å; L271-I273 VanDerWaalsContact C-N 3.34Å; L271-I273 PolarHBondContact O-N 3.35Å; I273-D276 PolarHBondContact O-N 2.99Å; I273-V277 WeakPolarHBondContact O-CG2 3.36Å; I273-V277 PolarHBondContact O-N 3.34Å
274Y87.1Confident85Confident149 Ų14960.5 Ų60.558%0.58431%0.305SS*.Hα-helixtrans-66-45.6-177.1-178.5-99000112.5L270 L271 T272 D276 V277 I278L270-Y274 WeakPolarHBondContact O-CB 3.4Å; L270-Y274 PolarHBondContact O-N 3.15Å; L271-Y274 PolarHBondContact O-N 3.05Å; T272-Y274 PolarHBondContact O-N 3.05Å; Y274-D276 PolarHBondContact O-N 3.38Å; Y274-V277 WeakPolarHBondContact O-CB 3.2Å; Y274-V277 PolarHBondContact O-N 2.8Å; Y274-I278 HydrophobicContact CD1-CD1 4.4Å; Y274-I278 HydrophobicContact CE1-CD1 3.74Å
275I84.2Confident84.4Confident40 Ų4058.9 Ų58.921%0.20530%0.296CS..Hα-helixtrans-70.7-24.2179.2-49.4160.1000110.8N4 L271 V277N4-I275 PolarHBondContact ND2-O 2.7Å; N4-I275 WeakPolarHBondContact OD1-CG2 3.37Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.39Å; I275-V277 PolarHBondContact O-N 3.5Å
276D76.8Confident83.8Confident22 Ų2262.7 Ų62.712%0.11831%0.314CS..THydrogen-bonded Turntrans-74.2-9.9171.6-70.9-22.7000113.6N4 R8 K104 T272 I273 Y274N4-D276 PolarHBondContact ND2-OD1 2.92Å; R8-D276 IonicContact CZ-OD1 3.62Å; R8-D276 IonicContact CZ-OD2 2.61Å; R8-D276 IonicContact NE-OD1 3.7Å; R8-D276 IonicContact NE-OD2 2.68Å; R8-D276 IonicContact NH2-OD1 2.71Å; R8-D276 PolarHBondContact NH2-OD1 3.34Å; R8-D276 IonicContact NH2-OD2 2.8Å; R8-D276 PolarHBondContact NH2-OD2 2.75Å; K104-D276 PolarHBondContact NZ-O 3.23Å; T272-D276 WeakPolarHBondContact O-CB 3.24Å; T272-D276 PolarHBondContact O-N 3.36Å; I273-D276 PolarHBondContact O-N 2.99Å; Y274-D276 PolarHBondContact O-N 3.38Å
277V62.5Low83Confident96 Ų9666.2 Ų66.258%0.58233%0.33SS*.THydrogen-bonded Turntrans-88.6-23175.7172.20000112.2I273 Y274 I275I273-V277 WeakPolarHBondContact O-CG2 3.36Å; I273-V277 PolarHBondContact O-N 3.34Å; Y274-V277 WeakPolarHBondContact O-CB 3.2Å; Y274-V277 PolarHBondContact O-N 2.8Å; I275-V277 PolarHBondContact O-N 3.5Å
278I52.8Low82.1Confident166 Ų16665 Ų6585%0.85132%0.323SS*.  trans-91.60177.7-57175.2000110.1Y274Y274-I278 HydrophobicContact CD1-CD1 4.4Å; Y274-I278 HydrophobicContact CE1-CD1 3.74Å

Retrieved 278 of 278 residues in 95.6 ms (Link to these results)

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