A0A077Z8A8_TRITR Loading...

Two pore potassium channel protein sup-9

AlphaFold DB , UniProt , Accession A0A077Z8A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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
1M68Low85.3Confident170 Ų17093.9 Ų93.984%0.83748%0.481SS*.  0141.80-75.3170.86800108.5N5 V6 L9M1-N5 HydrophobicContact CE-CB 4.17Å; M1-V6 HydrophobicContact CB-CG2 3.7Å; M1-V6 HydrophobicContact CE-CG2 4.15Å; M1-V6 HydrophobicContact SD-CG2 4.42Å; M1-L9 HydrophobicContact CE-CD2 4.31Å
2K80.6Confident86.1Confident151 Ų15192.8 Ų92.866%0.65748%0.475SS*.  trans-58141.3172.5-66.4-174.5176.8-174.70109.6Q4 N5 V6K2-Q4 PolarHBondContact O-N 3.34Å; K2-Q4 VanDerWaalsContact O-N 3.13Å; K2-N5 PolarHBondContact O-N 3.48Å; K2-V6 PolarHBondContact O-N 3.02Å
3K82.1Confident87Confident110 Ų11091.8 Ų91.848%0.47848%0.476SS..Hα-helixtrans-52.1-37179.1-68.5175.2-169.41480111.6V6 R7 D257K3-V6 PolarHBondContact O-N 3.37Å; K3-R7 WeakPolarHBondContact O-CB 3.07Å; K3-R7 PolarHBondContact O-N 3.23Å; K3-D257 IonicContact NZ-OD1 2.7Å; K3-D257 PolarHBondContact NZ-OD1 2.69Å
4Q77.1Confident87.7Confident77 Ų7790.8 Ų90.836%0.3648%0.479SS..Hα-helixtrans-59-48174.7-175.5174.723.800113.5K2 V6 R7 T8 E254K2-Q4 PolarHBondContact O-N 3.34Å; K2-Q4 VanDerWaalsContact O-N 3.13Å; Q4-V6 VanDerWaalsContact C-N 3.28Å; Q4-V6 PolarHBondContact O-N 3.17Å; Q4-R7 PolarHBondContact O-N 3.06Å; Q4-T8 PolarHBondContact O-N 2.63Å; Q4-T8 PolarHBondContact O-OG1 3.42Å; Q4-T8 VanDerWaalsContact O-OG1 3.07Å; Q4-E254 PolarHBondContact NE2-OE1 3.16Å
5N87.8Confident88.3Confident86 Ų8690.3 Ų90.346%0.4648%0.481SS..Hα-helixtrans-64.7-37.3179.1-67.1-2.7000111.1M1 K2 T8 L9M1-N5 HydrophobicContact CE-CB 4.17Å; K2-N5 PolarHBondContact O-N 3.48Å; N5-T8 PolarHBondContact O-N 3.28Å; N5-L9 WeakPolarHBondContact O-CB 3.39Å; N5-L9 PolarHBondContact O-N 3.39Å
6V90.5Very high88.8Confident73 Ų7392.9 Ų92.944%0.44249%0.487SS..Hα-helixtrans-64.4-45.1174.8179.50000110.4M1 K2 K3 Q4 L9 A10M1-V6 HydrophobicContact CB-CG2 3.7Å; M1-V6 HydrophobicContact CE-CG2 4.15Å; M1-V6 HydrophobicContact SD-CG2 4.42Å; K2-V6 PolarHBondContact O-N 3.02Å; K3-V6 PolarHBondContact O-N 3.37Å; Q4-V6 VanDerWaalsContact C-N 3.28Å; Q4-V6 PolarHBondContact O-N 3.17Å; V6-L9 PolarHBondContact O-N 3.08Å; V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 3.29Å
7R87.2Confident89.4Confident47 Ų4791.6 Ų91.618%0.17748%0.484CS..Hα-helixtrans-61.1-45.2175.9-179174.862.1-148.31.4112K3 Q4 A10 L11 N250 D253K3-R7 WeakPolarHBondContact O-CB 3.07Å; K3-R7 PolarHBondContact O-N 3.23Å; Q4-R7 PolarHBondContact O-N 3.06Å; R7-A10 PolarHBondContact O-N 3.21Å; R7-L11 HydrophobicContact CG-CD1 4.37Å; R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 3.34Å; R7-N250 WeakPolarHBondContact CD-OD1 3.45Å; R7-N250 PolarHBondContact NE-OD1 3.14Å; R7-N250 VanDerWaalsContact NE-OD1 3.07Å; R7-N250 PolarHBondContact NH1-OD1 3.21Å; R7-N250 VanDerWaalsContact NH2-CG 3.27Å; R7-N250 PolarHBondContact NH2-OD1 3.05Å; R7-D253 IonicContact NH1-OD2 2.59Å; R7-D253 PolarHBondContact NH1-OD2 3.49Å; R7-D253 VanDerWaalsContact NH1-OD2 3.08Å
8T87.4Confident89.9Confident70 Ų7096.6 Ų96.643%0.42950%0.497SS..Hα-helixtrans-63.4-46.5177.6-58.40000111.4Q4 N5 A10 L11 I12Q4-T8 PolarHBondContact O-N 2.63Å; Q4-T8 PolarHBondContact O-OG1 3.42Å; Q4-T8 VanDerWaalsContact O-OG1 3.07Å; N5-T8 PolarHBondContact O-N 3.28Å; T8-A10 VanDerWaalsContact C-N 3.34Å; T8-A10 PolarHBondContact O-N 2.99Å; T8-L11 PolarHBondContact O-N 3.09Å; T8-I12 HydrophobicContact CG2-CD1 4.13Å; T8-I12 WeakPolarHBondContact O-CG1 3.29Å; T8-I12 PolarHBondContact O-N 3.05Å
9L92.7Very high90.3Very high93 Ų9397.1 Ų97.149%0.48750%0.5SS..Hα-helixtrans-63-42.1176.7-175.866.5000111.4M1 N5 V6 L11 I12 V13M1-L9 HydrophobicContact CE-CD2 4.31Å; N5-L9 WeakPolarHBondContact O-CB 3.39Å; N5-L9 PolarHBondContact O-N 3.39Å; V6-L9 PolarHBondContact O-N 3.08Å; L9-L11 PolarHBondContact O-N 3.34Å; L9-I12 PolarHBondContact O-N 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.43Å
10A93.6Very high90.7Very high48 Ų4898.4 Ų98.440%0.39751%0.507SS..Hα-helixtrans-61-43.8176.100000111.6V6 R7 T8 V13 C14V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 3.29Å; R7-A10 PolarHBondContact O-N 3.21Å; T8-A10 VanDerWaalsContact C-N 3.34Å; T8-A10 PolarHBondContact O-N 2.99Å; A10-V13 PolarHBondContact O-N 2.94Å; A10-C14 VanDerWaalsContact O-CB 3.3Å; A10-C14 WeakPolarHBondContact O-CB 3.5Å; A10-C14 PolarHBondContact O-N 3.06Å; A10-C14 PolarHBondContact O-SG 2.59Å
11L91.6Very high91.1Very high108 Ų10898.2 Ų98.257%0.56551%0.511SS*.Hα-helixtrans-60.7-44.9174.8-75.5171.7000111.8R7 T8 L9 C14 T15R7-L11 HydrophobicContact CG-CD1 4.37Å; R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 3.34Å; T8-L11 PolarHBondContact O-N 3.09Å; L9-L11 PolarHBondContact O-N 3.34Å; L11-C14 PolarHBondContact O-N 3.41Å; L11-T15 WeakPolarHBondContact O-CB 3.44Å; L11-T15 PolarHBondContact O-N 2.98Å; L11-T15 PolarHBondContact O-OG1 3.04Å
12I95Very high92.5Very high81 Ų8191.2 Ų91.242%0.41548%0.482SS..Hα-helixtrans-59.3-50.2176.7-68.3166.7000110.5T8 L9 C14 T15 F16T8-I12 HydrophobicContact CG2-CD1 4.13Å; T8-I12 WeakPolarHBondContact O-CG1 3.29Å; T8-I12 PolarHBondContact O-N 3.05Å; L9-I12 PolarHBondContact O-N 3.34Å; I12-C14 PolarHBondContact O-N 3.21Å; I12-T15 PolarHBondContact O-N 3.2Å; I12-F16 HydrophobicContact CG2-CD2 3.66Å; I12-F16 HydrophobicContact CG2-CE2 3.63Å; I12-F16 VanDerWaalsContact O-CD2 3.27Å; I12-F16 WeakPolarHBondContact O-CD2 3.36Å; I12-F16 PolarHBondContact O-N 3.48Å
13V97.3Very high93.4Very high79 Ų7986.9 Ų86.948%0.47947%0.474SS..Hα-helixtrans-60.5-46.3178.8172.70000110.8L9 A10 T15 F16 T17L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.43Å; A10-V13 PolarHBondContact O-N 2.94Å; V13-T15 VanDerWaalsContact C-N 3.34Å; V13-T15 PolarHBondContact O-N 3.42Å; V13-F16 PolarHBondContact O-N 2.99Å; V13-T17 HydrophobicContact CG1-CG2 4.39Å; V13-T17 WeakPolarHBondContact O-CG2 3.47Å; V13-T17 PolarHBondContact O-N 3.04Å; V13-T17 PolarHBondContact O-OG1 3.21Å; V13-T17 VanDerWaalsContact O-OG1 3.12Å
14C96.8Very high94.2Very high78 Ų7884.6 Ų84.653%0.52748%0.476SS..Hα-helixtrans-60.6-39.7176.4-740000112.7A10 L11 I12 T17 Y18A10-C14 VanDerWaalsContact O-CB 3.3Å; A10-C14 WeakPolarHBondContact O-CB 3.5Å; A10-C14 PolarHBondContact O-N 3.06Å; A10-C14 PolarHBondContact O-SG 2.59Å; L11-C14 PolarHBondContact O-N 3.41Å; I12-C14 PolarHBondContact O-N 3.21Å; C14-T17 WeakPolarHBondContact CA-OG1 3.48Å; C14-T17 PolarHBondContact O-OG1 3.19Å; C14-Y18 WeakPolarHBondContact O-CB 3.23Å; C14-Y18 PolarHBondContact O-N 3.02Å
15T96.1Very high95.2Very high83 Ų8384.5 Ų84.551%0.50948%0.481SS..Hα-helixtrans-67-44.1176.7-59.90000111.3L11 I12 V13 Y18 L19L11-T15 WeakPolarHBondContact O-CB 3.44Å; L11-T15 PolarHBondContact O-N 2.98Å; L11-T15 PolarHBondContact O-OG1 3.04Å; I12-T15 PolarHBondContact O-N 3.2Å; V13-T15 VanDerWaalsContact C-N 3.34Å; V13-T15 PolarHBondContact O-N 3.42Å; T15-Y18 PolarHBondContact O-N 2.89Å; T15-L19 HydrophobicContact CG2-CD1 4.43Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.95Å
16F97.8Very high95.7Very high132 Ų13287.1 Ų87.158%0.57949%0.488SS*.Hα-helixtrans-64.2-42.4176.7-83.8-68.4000112.4I12 V13 Y18 L19 L20I12-F16 HydrophobicContact CG2-CD2 3.66Å; I12-F16 HydrophobicContact CG2-CE2 3.63Å; I12-F16 VanDerWaalsContact O-CD2 3.27Å; I12-F16 WeakPolarHBondContact O-CD2 3.36Å; I12-F16 PolarHBondContact O-N 3.48Å; V13-F16 PolarHBondContact O-N 2.99Å; F16-Y18 VanDerWaalsContact C-N 3.34Å; F16-L19 PolarHBondContact O-N 3.39Å; F16-L20 WeakPolarHBondContact O-CG 3.38Å; F16-L20 PolarHBondContact O-N 3.36Å
17T98.1Very high96Very high71 Ų7188.6 Ų88.644%0.43649%0.493SS..Hα-helixtrans-65.7-38.4175.5560000111.7V13 C14 L19 L20 V21V13-T17 HydrophobicContact CG1-CG2 4.39Å; V13-T17 WeakPolarHBondContact O-CG2 3.47Å; V13-T17 PolarHBondContact O-N 3.04Å; V13-T17 PolarHBondContact O-OG1 3.21Å; V13-T17 VanDerWaalsContact O-OG1 3.12Å; C14-T17 WeakPolarHBondContact CA-OG1 3.48Å; C14-T17 PolarHBondContact O-OG1 3.19Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 3.19Å; T17-L20 PolarHBondContact O-N 3.5Å; T17-V21 WeakPolarHBondContact O-CG2 3.35Å; T17-V21 PolarHBondContact O-N 2.94Å
18Y98Very high96.6Very high181 Ų18190.2 Ų90.271%0.7152%0.517SS*.Hα-helixtrans-60.9-41.3174-172.6-97.5000112.1C14 T15 F16 G22C14-Y18 WeakPolarHBondContact O-CB 3.23Å; C14-Y18 PolarHBondContact O-N 3.02Å; T15-Y18 PolarHBondContact O-N 2.89Å; F16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-G22 PolarHBondContact O-N 3.22Å
19L98.3Very high97Very high107 Ų10792.4 Ų92.456%0.5653%0.525SS*.Hα-helixtrans-64.3-42.6174.4-72.5171.8000112.4T15 F16 T17 G22 A23T15-L19 HydrophobicContact CG2-CD1 4.43Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.95Å; F16-L19 PolarHBondContact O-N 3.39Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 3.19Å; L19-G22 PolarHBondContact O-N 3.19Å; L19-A23 WeakPolarHBondContact O-CB 3.28Å; L19-A23 PolarHBondContact O-N 2.98Å
20L98.4Very high97.3Very high123 Ų12392.8 Ų92.864%0.64452%0.524SS*.Hα-helixtrans-64.2-44.1177.8-71.7172.2000112F16 T17 A23 A24F16-L20 WeakPolarHBondContact O-CG 3.38Å; F16-L20 PolarHBondContact O-N 3.36Å; T17-L20 PolarHBondContact O-N 3.5Å; L20-A23 PolarHBondContact O-N 3.45Å; L20-A24 PolarHBondContact O-N 2.82Å
21V98.5Very high97.4Very high95 Ų9592.2 Ų92.258%0.57652%0.518SS*.Hα-helixtrans-62.2-45.4174.8172.80000110.3T17 A23 A24 V25T17-V21 WeakPolarHBondContact O-CG2 3.35Å; T17-V21 PolarHBondContact O-N 2.94Å; V21-A23 PolarHBondContact O-N 2.96Å; V21-A24 PolarHBondContact O-N 3.42Å; V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 WeakPolarHBondContact O-CG2 3.23Å; V21-V25 PolarHBondContact O-N 3.29Å
22G98.2Very high97.7Very high22 Ų2291.7 Ų91.723%0.22752%0.515CS..Hα-helixtrans-57.9-47.8175.800000112.5Y18 L19 A24 V25 F26Y18-G22 PolarHBondContact O-N 3.22Å; L19-G22 PolarHBondContact O-N 3.19Å; G22-A24 PolarHBondContact O-N 2.9Å; G22-V25 PolarHBondContact O-N 3.39Å; G22-F26 WeakPolarHBondContact O-CD2 3.4Å; G22-F26 PolarHBondContact O-N 3.47Å
23A98.4Very high97.7Very high61 Ų6190.8 Ų90.850%0.50451%0.511SS..Hα-helixtrans-59.4-44.7177.800000112.2L19 L20 V21 F26 D27L19-A23 WeakPolarHBondContact O-CB 3.28Å; L19-A23 PolarHBondContact O-N 2.98Å; L20-A23 PolarHBondContact O-N 3.45Å; V21-A23 PolarHBondContact O-N 2.96Å; A23-F26 PolarHBondContact O-N 3.43Å; A23-D27 VanDerWaalsContact O-CB 3.27Å; A23-D27 WeakPolarHBondContact O-CB 3.32Å; A23-D27 PolarHBondContact O-N 3.37Å
24A98.5Very high97.7Very high62 Ų6292.9 Ų92.951%0.51252%0.516SS..Hα-helixtrans-64.4-40.3177.900000112.6L20 V21 G22 A28L20-A24 PolarHBondContact O-N 2.82Å; V21-A24 PolarHBondContact O-N 3.42Å; G22-A24 PolarHBondContact O-N 2.9Å; A24-A28 WeakPolarHBondContact O-CB 3.23Å; A24-A28 PolarHBondContact O-N 2.72Å; A24-A28 VanDerWaalsContact O-N 3.08Å
25V98.4Very high97.7Very high75 Ų7594.2 Ų94.246%0.45552%0.517SS..Hα-helixtrans-69.2-44.7178172.80000111.2V21 G22 A28 L29V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 WeakPolarHBondContact O-CG2 3.23Å; V21-V25 PolarHBondContact O-N 3.29Å; G22-V25 PolarHBondContact O-N 3.39Å; V25-A28 PolarHBondContact O-N 3.44Å; V25-L29 HydrophobicContact CG1-CD1 3.7Å; V25-L29 HydrophobicContact CG1-CG 4.36Å; V25-L29 WeakPolarHBondContact O-CB 3.39Å; V25-L29 VanDerWaalsContact O-CG 3.25Å; V25-L29 WeakPolarHBondContact O-CG 3.31Å; V25-L29 PolarHBondContact O-N 3.49Å
26F98.3Very high97.7Very high141 Ų14197.7 Ų97.762%0.61852%0.521SS*.Hα-helixtrans-66.3-39.6177.9-74.8-58.7000112.5G22 A23 A28 L29 E30G22-F26 WeakPolarHBondContact O-CD2 3.4Å; G22-F26 PolarHBondContact O-N 3.47Å; A23-F26 PolarHBondContact O-N 3.43Å; F26-A28 PolarHBondContact O-N 2.85Å; F26-L29 PolarHBondContact O-N 3.31Å; F26-E30 WeakPolarHBondContact O-CB 3.42Å; F26-E30 PolarHBondContact O-N 3.1Å
27D98.3Very high97.6Very high104 Ų10496.7 Ų96.756%0.55652%0.518SS*.Hα-helixtrans-59.1-46.5172.9-178.749.8000111.1A23 L29 S31A23-D27 VanDerWaalsContact O-CB 3.27Å; A23-D27 WeakPolarHBondContact O-CB 3.32Å; A23-D27 PolarHBondContact O-N 3.37Å; D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 2.91Å; D27-S31 WeakPolarHBondContact CA-OG 3.45Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 2.89Å; D27-S31 VanDerWaalsContact O-N 3.15Å; D27-S31 PolarHBondContact O-OG 3.13Å; D27-S31 WeakPolarHBondContact OD1-CB 3.4Å; D27-S31 PolarHBondContact OD1-OG 2.85Å
28A98.1Very high97.5Very high80 Ų80101.2 Ų101.266%0.66153%0.527SS*.Hα-helixtrans-64.9-29178.500000114.1A24 V25 F26A24-A28 WeakPolarHBondContact O-CB 3.23Å; A24-A28 PolarHBondContact O-N 2.72Å; A24-A28 VanDerWaalsContact O-N 3.08Å; V25-A28 PolarHBondContact O-N 3.44Å; F26-A28 PolarHBondContact O-N 2.85Å
29L97.6Very high97.5Very high116 Ų11698.6 Ų98.661%0.60752%0.521SS*.Hα-helixtrans-91.6-38.5-177.4-68174.7000113.3V25 F26 D27V25-L29 HydrophobicContact CG1-CD1 3.7Å; V25-L29 HydrophobicContact CG1-CG 4.36Å; V25-L29 WeakPolarHBondContact O-CB 3.39Å; V25-L29 VanDerWaalsContact O-CG 3.25Å; V25-L29 WeakPolarHBondContact O-CG 3.31Å; V25-L29 PolarHBondContact O-N 3.49Å; F26-L29 PolarHBondContact O-N 3.31Å; D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 2.91Å
30E97.2Very high97.4Very high102 Ų10298.2 Ų98.248%0.47752%0.519SS..Hα-helixtrans-106.6-25.2-168.3-63.9-61.4156.200114.2F26 D32 N33 E34F26-E30 WeakPolarHBondContact O-CB 3.42Å; F26-E30 PolarHBondContact O-N 3.1Å; E30-D32 PolarHBondContact O-N 3.5Å; E30-N33 WeakPolarHBondContact O-CB 3.48Å; E30-N33 PolarHBondContact O-N 3.42Å; E30-N33 VanDerWaalsContact O-N 3.08Å; E30-N33 PolarHBondContact OE2-ND2 2.98Å; E30-E34 PolarHBondContact O-N 2.98Å
31S96.9Very high97.2Very high36 Ų3696.3 Ų96.325%0.25251%0.513SS..Hα-helixtrans-64.1-43.1-171.3-65.70000113.2D27 N33 E34 L35D27-S31 WeakPolarHBondContact CA-OG 3.45Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 2.89Å; D27-S31 VanDerWaalsContact O-N 3.15Å; D27-S31 PolarHBondContact O-OG 3.13Å; D27-S31 WeakPolarHBondContact OD1-CB 3.4Å; D27-S31 PolarHBondContact OD1-OG 2.85Å; S31-N33 VanDerWaalsContact C-N 3.29Å; S31-N33 PolarHBondContact O-N 3.45Å; S31-E34 PolarHBondContact O-N 3.45Å; S31-L35 WeakPolarHBondContact O-CG 3.26Å; S31-L35 PolarHBondContact O-N 2.88Å; S31-L35 VanDerWaalsContact O-N 3.09Å
32D96.7Very high97Very high97 Ų9796.5 Ų96.552%0.51951%0.508SS..Hα-helixtrans-64.2-36.1174.3-86.5-2.9000112.2E30 R36E30-D32 PolarHBondContact O-N 3.5Å; D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 2.92Å; D32-R36 IonicContact OD2-NH2 3.43Å
33N96.2Very high96.9Very high62 Ų62100.4 Ų100.433%0.33252%0.523SS..Hα-helixtrans-69.7-44.9179.4-177.550000110.9E30 S31 L35 R36 Q37E30-N33 WeakPolarHBondContact O-CB 3.48Å; E30-N33 PolarHBondContact O-N 3.42Å; E30-N33 VanDerWaalsContact O-N 3.08Å; E30-N33 PolarHBondContact OE2-ND2 2.98Å; S31-N33 VanDerWaalsContact C-N 3.29Å; S31-N33 PolarHBondContact O-N 3.45Å; N33-L35 PolarHBondContact O-N 3.26Å; N33-R36 PolarHBondContact O-N 3.2Å; N33-Q37 WeakPolarHBondContact O-CB 3.29Å; N33-Q37 WeakPolarHBondContact O-CG 3.22Å; N33-Q37 PolarHBondContact O-N 3.06Å
34E96.6Very high96.7Very high122 Ų122101.4 Ų101.457%0.5752%0.519SS*.Hα-helixtrans-58.2-46.6175.2-170.7-162.9-172.300111.2E30 S31 R36 Q37 R38E30-E34 PolarHBondContact O-N 2.98Å; S31-E34 PolarHBondContact O-N 3.45Å; E34-R36 PolarHBondContact O-N 2.84Å; E34-Q37 PolarHBondContact O-N 3.42Å; E34-R38 VanDerWaalsContact O-CB 3.31Å; E34-R38 WeakPolarHBondContact O-CB 3.32Å; E34-R38 PolarHBondContact O-N 3.48Å
35L97.2Very high96.5Very high107 Ų107100.3 Ų100.356%0.5650%0.502SS*.Hα-helixtrans-59.2-45.7178.6-73.9172.5000111.9S31 N33 R38 E39S31-L35 WeakPolarHBondContact O-CG 3.26Å; S31-L35 PolarHBondContact O-N 2.88Å; S31-L35 VanDerWaalsContact O-N 3.09Å; N33-L35 PolarHBondContact O-N 3.26Å; L35-R38 PolarHBondContact O-N 2.8Å; L35-E39 WeakPolarHBondContact O-CB 3.33Å; L35-E39 PolarHBondContact O-N 3.29Å
36R96.9Very high96.3Very high155 Ų155102.6 Ų102.659%0.58551%0.507SS*.Hα-helixtrans-64.6-42.9176.8-70.7176.6-163.4130.910112D32 N33 E34 R38 E39 L40D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 2.92Å; D32-R36 IonicContact OD2-NH2 3.43Å; N33-R36 PolarHBondContact O-N 3.2Å; E34-R36 PolarHBondContact O-N 2.84Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R36-E39 PolarHBondContact O-N 2.96Å; R36-L40 WeakPolarHBondContact O-CB 3.41Å; R36-L40 PolarHBondContact O-N 3.07Å
37Q95.3Very high96.2Very high111 Ų111104.5 Ų104.552%0.51951%0.511SS..Hα-helixtrans-63.8-40177.5-75.5-174.8-19.800111.7N33 E34 T41N33-Q37 WeakPolarHBondContact O-CB 3.29Å; N33-Q37 WeakPolarHBondContact O-CG 3.22Å; N33-Q37 PolarHBondContact O-N 3.06Å; E34-Q37 PolarHBondContact O-N 3.42Å; Q37-T41 VanDerWaalsContact O-CB 3.3Å; Q37-T41 WeakPolarHBondContact O-CB 3.47Å; Q37-T41 PolarHBondContact O-N 3.21Å; Q37-T41 PolarHBondContact O-OG1 3.13Å
38R96Very high96.1Very high166 Ų166102.9 Ų102.963%0.62650%0.501SS*.Hα-helixtrans-64.8-47.6176-175.7175.2179.9174.4-1.2111.6E34 L35 R36 L40 T41 E42E34-R38 VanDerWaalsContact O-CB 3.31Å; E34-R38 WeakPolarHBondContact O-CB 3.32Å; E34-R38 PolarHBondContact O-N 3.48Å; L35-R38 PolarHBondContact O-N 2.8Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R38-L40 PolarHBondContact O-N 2.86Å; R38-T41 PolarHBondContact O-N 3.35Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.84Å
39E96.9Very high96Very high126 Ų126100.7 Ų100.759%0.58948%0.477SS*.Hα-helixtrans-59.4-47.9176.4-174.7178.7-166.800111.1L35 R36 T41 E42 L43L35-E39 WeakPolarHBondContact O-CB 3.33Å; L35-E39 PolarHBondContact O-N 3.29Å; R36-E39 PolarHBondContact O-N 2.96Å; E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 2.86Å; E39-E42 PolarHBondContact O-N 3.42Å; E39-L43 HydrophobicContact CG-CD1 4.13Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CB 3.49Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.2Å; E39-L43 PolarHBondContact O-N 2.92Å
40L96.2Very high95.9Very high99 Ų9999.8 Ų99.852%0.51848%0.477SS..Hα-helixtrans-59.5-42.2176.5179.361.3000112R36 R38 L43 L44R36-L40 WeakPolarHBondContact O-CB 3.41Å; R36-L40 PolarHBondContact O-N 3.07Å; R38-L40 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 3.5Å; L40-L44 HydrophobicContact CD1-CD1 4.11Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 4.03Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.41Å
41T94.5Very high95.9Very high83 Ų83102 Ų10251%0.50949%0.485SS..Hα-helixtrans-64.5-43.9179.2-60.20000111.3Q37 R38 E39 L44 R45Q37-T41 VanDerWaalsContact O-CB 3.3Å; Q37-T41 WeakPolarHBondContact O-CB 3.47Å; Q37-T41 PolarHBondContact O-N 3.21Å; Q37-T41 PolarHBondContact O-OG1 3.13Å; R38-T41 PolarHBondContact O-N 3.35Å; E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 2.86Å; T41-L44 PolarHBondContact O-N 3.08Å; T41-R45 VanDerWaalsContact O-CB 3.24Å; T41-R45 WeakPolarHBondContact O-CB 3.31Å; T41-R45 PolarHBondContact O-N 3.09Å
42E94.8Very high95.8Very high100 Ų100107.2 Ų107.247%0.46750%0.5SS..Hα-helixtrans-65.6-40.9176.1-71.7-57.814700112.2R38 E39 R45 H46R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.84Å; E39-E42 PolarHBondContact O-N 3.42Å; E42-R45 WeakPolarHBondContact O-CB 3.11Å; E42-R45 PolarHBondContact O-N 3.1Å; E42-H46 WeakPolarHBondContact O-CB 3.47Å; E42-H46 PolarHBondContact O-N 3.31Å
43L96.1Very high95.8Very high104 Ų104110 Ų11055%0.54552%0.515SS..Hα-helixtrans-61.9-45.4174.5-72.6175.1000111.8E39 L40 H46 R47E39-L43 HydrophobicContact CG-CD1 4.13Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CB 3.49Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.2Å; E39-L43 PolarHBondContact O-N 2.92Å; L40-L43 PolarHBondContact O-N 3.5Å; L43-H46 PolarHBondContact O-N 3.33Å; L43-R47 VanDerWaalsContact O-CB 3.31Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 PolarHBondContact O-N 3.07Å
44L94.7Very high95.8Very high82 Ų82108.5 Ų108.543%0.42951%0.507SS..Hα-helixtrans-66.2-41.9177.1-73175000111.8L40 T41 R47 I48L40-L44 HydrophobicContact CD1-CD1 4.11Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 4.03Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.41Å; T41-L44 PolarHBondContact O-N 3.08Å; L44-R47 PolarHBondContact O-N 2.88Å; L44-I48 WeakPolarHBondContact O-CB 3.34Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 3.41Å
45R94.1Very high95.7Very high38 Ų38105.2 Ų105.214%0.14350%0.497CS..Hα-helixtrans-54.2-54172.9169.8179.5179.7117.65.5110.4T41 E42 R47 I48 M49 Y59 E63T41-R45 VanDerWaalsContact O-CB 3.24Å; T41-R45 WeakPolarHBondContact O-CB 3.31Å; T41-R45 PolarHBondContact O-N 3.09Å; E42-R45 WeakPolarHBondContact O-CB 3.11Å; E42-R45 PolarHBondContact O-N 3.1Å; R45-R47 PolarHBondContact O-N 3.37Å; R45-I48 PolarHBondContact O-N 3.41Å; R45-M49 HydrophobicContact CG-SD 4.06Å; R45-M49 WeakPolarHBondContact O-CG 3.46Å; R45-M49 PolarHBondContact O-N 3.37Å; R45-Y59 HydrophobicContact CG-CD1 4.42Å; R45-Y59 HydrophobicContact CG-CE1 3.86Å; R45-Y59 HydrophobicContact CG-CE2 4.12Å; R45-Y59 VanDerWaalsContact CZ-CE1 3.48Å; R45-E63 IonicContact NH1-OE1 3.95Å; R45-E63 IonicContact NH1-OE2 3.34Å; R45-E63 PolarHBondContact NH1-OE2 3.32Å
46H94.7Very high95.6Very high123 Ų123105 Ų10557%0.56949%0.493SS*.Hα-helixtrans-60.4-45.1179.3-175.869000111.8E42 L43 I48 M49 V50E42-H46 WeakPolarHBondContact O-CB 3.47Å; E42-H46 PolarHBondContact O-N 3.31Å; L43-H46 PolarHBondContact O-N 3.33Å; H46-I48 VanDerWaalsContact C-N 3.34Å; H46-I48 PolarHBondContact O-N 3.3Å; H46-M49 PolarHBondContact O-N 3.39Å; H46-V50 WeakPolarHBondContact O-CG2 3.14Å; H46-V50 PolarHBondContact O-N 3.19Å
47R95.7Very high95.5Very high182 Ų182107.5 Ų107.569%0.68750%0.503SS*.Hα-helixtrans-59.7-42.6178.6-169178.3-162.6175.56.2112.5L43 L44 R45 K51L43-R47 VanDerWaalsContact O-CB 3.31Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 PolarHBondContact O-N 3.07Å; L44-R47 PolarHBondContact O-N 2.88Å; R45-R47 PolarHBondContact O-N 3.37Å; R47-K51 WeakPolarHBondContact O-CB 3.49Å; R47-K51 PolarHBondContact O-N 3Å
48I95.2Very high95.5Very high70 Ų70106.7 Ų106.736%0.35950%0.502SS..Hα-helixtrans-66.7-46.1177.2-71.7170.2000110.2L44 R45 H46 V50 K51 Y52 I54 Y59L44-I48 WeakPolarHBondContact O-CB 3.34Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 3.41Å; R45-I48 PolarHBondContact O-N 3.41Å; H46-I48 VanDerWaalsContact C-N 3.34Å; H46-I48 PolarHBondContact O-N 3.3Å; I48-V50 VanDerWaalsContact C-N 3.35Å; I48-V50 PolarHBondContact O-N 2.9Å; I48-K51 PolarHBondContact O-N 3.49Å; I48-Y52 HydrophobicContact CG2-CD2 3.97Å; I48-Y52 HydrophobicContact CG2-CE2 4.47Å; I48-Y52 WeakPolarHBondContact O-CD2 3.27Å; I48-Y52 PolarHBondContact O-N 3.48Å; I48-I54 HydrophobicContact CG2-CD1 4.32Å; I48-Y59 HydrophobicContact CG2-CE2 4.48Å
49M95.6Very high95.4Very high33 Ų33100.6 Ų100.616%0.16348%0.479CS..Hα-helixtrans-58.7-45.3179.3-73.3179.363.200112R45 H46 N53 I54 E56 Y59R45-M49 HydrophobicContact CG-SD 4.06Å; R45-M49 WeakPolarHBondContact O-CG 3.46Å; R45-M49 PolarHBondContact O-N 3.37Å; H46-M49 PolarHBondContact O-N 3.39Å; M49-N53 CarbonylContact O-C 3.57Å; M49-N53 VanDerWaalsContact O-CA 3.31Å; M49-N53 WeakPolarHBondContact O-CA 3.3Å; M49-N53 PolarHBondContact O-N 3.35Å; M49-I54 PolarHBondContact O-N 2.86Å; M49-E56 HydrophobicContact CE-CB 3.99Å; M49-E56 HydrophobicContact CE-CG 4.34Å; M49-Y59 HydrophobicContact CG-CD2 3.62Å; M49-Y59 HydrophobicContact CG-CE2 4.27Å; M49-Y59 HydrophobicContact CG-CG 4.06Å; M49-Y59 HydrophobicContact SD-CD2 4.18Å; M49-Y59 HydrophobicContact SD-CG 4.06Å
50V96.1Very high95.3Very high98 Ų98101.7 Ų101.759%0.59448%0.478SS*.Hα-helixtrans-68.9-47.3177.7174.80000111.4H46 I48 Y52 N53H46-V50 WeakPolarHBondContact O-CG2 3.14Å; H46-V50 PolarHBondContact O-N 3.19Å; I48-V50 VanDerWaalsContact C-N 3.35Å; I48-V50 PolarHBondContact O-N 2.9Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 2.91Å; V50-N53 PolarHBondContact O-N 3.35Å
51K97Very high95.2Very high148 Ų148101.2 Ų101.264%0.64348%0.479SS*.Hα-helixtrans-59.3-38-177.3-179.4178.8179.1-171.50112.8R47 I48R47-K51 WeakPolarHBondContact O-CB 3.49Å; R47-K51 PolarHBondContact O-N 3Å; I48-K51 PolarHBondContact O-N 3.49Å
52Y96.1Very high95.2Very high145 Ų145101.2 Ų101.257%0.56947%0.474SS*.THydrogen-bonded Turntrans-106.78-176.5-63.5-74000113.5I48 V50 I54I48-Y52 HydrophobicContact CG2-CD2 3.97Å; I48-Y52 HydrophobicContact CG2-CE2 4.47Å; I48-Y52 WeakPolarHBondContact O-CD2 3.27Å; I48-Y52 PolarHBondContact O-N 3.48Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 2.91Å; Y52-I54 VanDerWaalsContact C-N 3.29Å; Y52-I54 PolarHBondContact O-N 2.99Å
53N96.7Very high95.1Very high156 Ų156100.6 Ų100.683%0.83447%0.471SS*.THydrogen-bonded Turntrans50.845.3-178.8-16535.4000113.2M49 V50M49-N53 CarbonylContact O-C 3.57Å; M49-N53 VanDerWaalsContact O-CA 3.31Å; M49-N53 WeakPolarHBondContact O-CA 3.3Å; M49-N53 PolarHBondContact O-N 3.35Å; V50-N53 PolarHBondContact O-N 3.35Å
54I95.5Very high95Very high31 Ų3198 Ų9816%0.15946%0.461CS..  trans-91.6126.9-177.2-58.9171.1000109.1I48 M49 Y52 D58 M62I48-I54 HydrophobicContact CG2-CD1 4.32Å; M49-I54 PolarHBondContact O-N 2.86Å; Y52-I54 VanDerWaalsContact C-N 3.29Å; Y52-I54 PolarHBondContact O-N 2.99Å; I54-D58 HydrophobicContact CG2-CB 3.78Å; I54-M62 HydrophobicContact CD1-CE 3.93Å
55S95.6Very high94.9Very high53 Ų5398.2 Ų98.237%0.37147%0.466SS..  trans-68.4156.1174.782.60000111.5R57 D58 Y59S55-R57 PolarHBondContact O-N 2.86Å; S55-D58 WeakPolarHBondContact CB-OD2 3.38Å; S55-D58 PolarHBondContact O-N 3.03Å; S55-D58 VanDerWaalsContact O-N 3.14Å; S55-D58 PolarHBondContact OG-N 3.29Å; S55-D58 PolarHBondContact OG-OD2 3.26Å; S55-Y59 PolarHBondContact O-N 3.27Å
56E94.2Very high94.8Very high101 Ų101100.4 Ų100.447%0.47248%0.48SS..Hα-helixtrans-60-32.9178.8-162.8-170.3159.600112.6M49 R60M49-E56 HydrophobicContact CE-CB 3.99Å; M49-E56 HydrophobicContact CE-CG 4.34Å; E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 3.41Å; E56-R60 VanDerWaalsContact O-N 3.12Å; E56-R60 IonicContact OE1-CZ 3.34Å; E56-R60 IonicContact OE1-NE 2.85Å; E56-R60 PolarHBondContact OE1-NE 3Å; E56-R60 IonicContact OE1-NH2 3.21Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å
57R94.6Very high94.5Very high209 Ų20998.8 Ų98.879%0.78948%0.479SS*.Hα-helixtrans-66.8-45.9176.1-66.2-177.7-177.2178.31.5111.1S55 Y59 R60 V61S55-R57 PolarHBondContact O-N 2.86Å; R57-Y59 VanDerWaalsContact C-N 3.33Å; R57-Y59 PolarHBondContact O-N 2.83Å; R57-R60 PolarHBondContact O-N 3.28Å; R57-V61 WeakPolarHBondContact O-CG2 3.38Å; R57-V61 PolarHBondContact O-N 3.37Å; R57-V61 VanDerWaalsContact O-N 3.07Å
58D95.3Very high94.1Very high93 Ų9397.6 Ų97.650%0.49748%0.478SS..Hα-helixtrans-66.5-38.5-179.9-60.3-37000111.2I54 S55 V61 M62I54-D58 HydrophobicContact CG2-CB 3.78Å; S55-D58 WeakPolarHBondContact CB-OD2 3.38Å; S55-D58 PolarHBondContact O-N 3.03Å; S55-D58 VanDerWaalsContact O-N 3.14Å; S55-D58 PolarHBondContact OG-N 3.29Å; S55-D58 PolarHBondContact OG-OD2 3.26Å; D58-V61 PolarHBondContact O-N 2.98Å; D58-M62 WeakPolarHBondContact O-CB 3.41Å; D58-M62 PolarHBondContact O-N 3.44Å
59Y94.6Very high93.7Very high39 Ų3996.1 Ų96.115%0.15347%0.474CS..Hα-helixtrans-60.9-46174.6-171.3-83.2000111.5R45 I48 M49 S55 R57 V61 M62 E63R45-Y59 HydrophobicContact CG-CD1 4.42Å; R45-Y59 HydrophobicContact CG-CE1 3.86Å; R45-Y59 HydrophobicContact CG-CE2 4.12Å; R45-Y59 VanDerWaalsContact CZ-CE1 3.48Å; I48-Y59 HydrophobicContact CG2-CE2 4.48Å; M49-Y59 HydrophobicContact CG-CD2 3.62Å; M49-Y59 HydrophobicContact CG-CE2 4.27Å; M49-Y59 HydrophobicContact CG-CG 4.06Å; M49-Y59 HydrophobicContact SD-CD2 4.18Å; M49-Y59 HydrophobicContact SD-CG 4.06Å; S55-Y59 PolarHBondContact O-N 3.27Å; R57-Y59 VanDerWaalsContact C-N 3.33Å; R57-Y59 PolarHBondContact O-N 2.83Å; Y59-V61 VanDerWaalsContact C-N 3.32Å; Y59-V61 PolarHBondContact O-N 3.24Å; Y59-M62 WeakPolarHBondContact O-CB 3.18Å; Y59-M62 PolarHBondContact O-N 2.84Å; Y59-E63 HydrophobicContact CD1-CB 4.49Å; Y59-E63 HydrophobicContact CE1-CB 4.34Å; Y59-E63 VanDerWaalsContact O-CB 3.29Å; Y59-E63 WeakPolarHBondContact O-CB 3.2Å; Y59-E63 PolarHBondContact O-N 3.12Å
60R94.1Very high93.2Very high148 Ų14899.1 Ų99.156%0.55849%0.49SS*.Hα-helixtrans-62.1-38.2177.3-71.5178.3-169-152.75.1112.4E56 R57 S64E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 3.41Å; E56-R60 VanDerWaalsContact O-N 3.12Å; E56-R60 IonicContact OE1-CZ 3.34Å; E56-R60 IonicContact OE1-NE 2.85Å; E56-R60 PolarHBondContact OE1-NE 3Å; E56-R60 IonicContact OE1-NH2 3.21Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å; R57-R60 PolarHBondContact O-N 3.28Å; R60-S64 WeakPolarHBondContact O-CB 3.4Å; R60-S64 PolarHBondContact O-N 3.37Å
61V95Very high92.5Very high89 Ų8996.9 Ų96.954%0.53948%0.477SS..Hα-helixtrans-64.3-48174.1173.40000110.1R57 D58 Y59 E63 S64 V65R57-V61 WeakPolarHBondContact O-CG2 3.38Å; R57-V61 PolarHBondContact O-N 3.37Å; R57-V61 VanDerWaalsContact O-N 3.07Å; D58-V61 PolarHBondContact O-N 2.98Å; Y59-V61 VanDerWaalsContact C-N 3.32Å; Y59-V61 PolarHBondContact O-N 3.24Å; V61-E63 PolarHBondContact O-N 3.48Å; V61-S64 WeakPolarHBondContact O-CB 3.31Å; V61-S64 PolarHBondContact O-N 3.25Å; V61-S64 VanDerWaalsContact O-N 3.16Å; V61-S64 PolarHBondContact O-OG 3.02Å; V61-V65 WeakPolarHBondContact O-CG2 3.28Å; V61-V65 PolarHBondContact O-N 3.39Å
62M93.7Very high91.7Very high84 Ų8496.9 Ų96.941%0.41448%0.479SS..Hα-helixtrans-58.8-47.7178.1-172.4-179.4-55.800112I54 D58 Y59 S64 V65 I66I54-M62 HydrophobicContact CD1-CE 3.93Å; D58-M62 WeakPolarHBondContact O-CB 3.41Å; D58-M62 PolarHBondContact O-N 3.44Å; Y59-M62 WeakPolarHBondContact O-CB 3.18Å; Y59-M62 PolarHBondContact O-N 2.84Å; M62-S64 VanDerWaalsContact C-N 3.32Å; M62-S64 PolarHBondContact O-N 3.39Å; M62-V65 PolarHBondContact O-N 2.81Å; M62-V65 VanDerWaalsContact O-N 3.13Å; M62-I66 HydrophobicContact CG-CD1 3.96Å; M62-I66 VanDerWaalsContact O-CG1 3.31Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 3.22Å
63E92.8Very high90.8Very high86 Ų8697.7 Ų97.740%0.40249%0.486SS..Hα-helixtrans-54.5-47.4173.7-179.5172.3-144.600111R45 Y59 V61 V65 I66 V67R45-E63 IonicContact NH1-OE1 3.95Å; R45-E63 IonicContact NH1-OE2 3.34Å; R45-E63 PolarHBondContact NH1-OE2 3.32Å; Y59-E63 HydrophobicContact CD1-CB 4.49Å; Y59-E63 HydrophobicContact CE1-CB 4.34Å; Y59-E63 VanDerWaalsContact O-CB 3.29Å; Y59-E63 WeakPolarHBondContact O-CB 3.2Å; Y59-E63 PolarHBondContact O-N 3.12Å; V61-E63 PolarHBondContact O-N 3.48Å; E63-V65 VanDerWaalsContact C-N 3.32Å; E63-V65 PolarHBondContact O-N 2.9Å; E63-I66 PolarHBondContact O-N 3.35Å; E63-V67 WeakPolarHBondContact O-CG2 3.27Å; E63-V67 PolarHBondContact O-N 2.91Å
64S92.8Very high90Very high49 Ų4990.6 Ų90.634%0.34345%0.449SS..Hα-helixtrans-63.1-35.5177.683.40000113.5R60 V61 M62 K68R60-S64 WeakPolarHBondContact O-CB 3.4Å; R60-S64 PolarHBondContact O-N 3.37Å; V61-S64 WeakPolarHBondContact O-CB 3.31Å; V61-S64 PolarHBondContact O-N 3.25Å; V61-S64 VanDerWaalsContact O-N 3.16Å; V61-S64 PolarHBondContact O-OG 3.02Å; M62-S64 VanDerWaalsContact C-N 3.32Å; M62-S64 PolarHBondContact O-N 3.39Å; S64-K68 WeakPolarHBondContact O-CB 3.31Å; S64-K68 VanDerWaalsContact O-CG 3.27Å; S64-K68 WeakPolarHBondContact O-CG 3.46Å; S64-K68 PolarHBondContact O-N 3.28Å; S64-K68 VanDerWaalsContact O-N 3.16Å
65V93.2Very high89.4Confident88 Ų8890.4 Ų90.453%0.53346%0.455SS..Hα-helixtrans-71.1-43.4176.6172.40000110.1V61 M62 E63 K68 S69V61-V65 WeakPolarHBondContact O-CG2 3.28Å; V61-V65 PolarHBondContact O-N 3.39Å; M62-V65 PolarHBondContact O-N 2.81Å; M62-V65 VanDerWaalsContact O-N 3.13Å; E63-V65 VanDerWaalsContact C-N 3.32Å; E63-V65 PolarHBondContact O-N 2.9Å; V65-K68 PolarHBondContact O-N 3.28Å; V65-S69 WeakPolarHBondContact O-CB 3.47Å; V65-S69 PolarHBondContact O-N 3.31Å; V65-S69 PolarHBondContact O-OG 3.25Å
66I92Very high88.8Confident84 Ų8496 Ų9643%0.43147%0.469SS..Hα-helixtrans-59-53.3177.2-70.7166.8000109.6M62 E63 K68 S69 I70M62-I66 HydrophobicContact CG-CD1 3.96Å; M62-I66 VanDerWaalsContact O-CG1 3.31Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 3.22Å; E63-I66 PolarHBondContact O-N 3.35Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.43Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 2.8Å; I66-S69 PolarHBondContact O-OG 3.48Å; I66-I70 WeakPolarHBondContact O-CG1 3.31Å; I66-I70 PolarHBondContact O-N 2.79Å
67V89.4Confident88.4Confident89 Ų8991.8 Ų91.854%0.53945%0.449SS..Hα-helixtrans-57.8-44.2-179.6172.80000111.3E63 S69 I70E63-V67 WeakPolarHBondContact O-CG2 3.27Å; E63-V67 PolarHBondContact O-N 2.91Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.34Å; V67-I70 PolarHBondContact O-N 3.4Å
68K87.4Confident88.2Confident156 Ų15688.3 Ų88.368%0.67844%0.436SS*.Hα-helixtrans-66.7-26.3176.3-74.1175.2-178.6173.60113.5S64 V65 I66 H72S64-K68 WeakPolarHBondContact O-CB 3.31Å; S64-K68 VanDerWaalsContact O-CG 3.27Å; S64-K68 WeakPolarHBondContact O-CG 3.46Å; S64-K68 PolarHBondContact O-N 3.28Å; S64-K68 VanDerWaalsContact O-N 3.16Å; V65-K68 PolarHBondContact O-N 3.28Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.43Å; K68-H72 PolarHBondContact O-CD2 2.96Å
69S87.1Confident88.1Confident39 Ų3990 Ų9027%0.27344%0.439SS..Hα-helixtrans-81.1-20.6-179.876.50000114V65 I66 V67 H72 K73V65-S69 WeakPolarHBondContact O-CB 3.47Å; V65-S69 PolarHBondContact O-N 3.31Å; V65-S69 PolarHBondContact O-OG 3.25Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 2.8Å; I66-S69 PolarHBondContact O-OG 3.48Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.34Å; S69-H72 WeakPolarHBondContact O-CB 3.45Å; S69-H72 PolarHBondContact O-N 3.15Å; S69-K73 PolarHBondContact O-N 3.2Å
70I84.5Confident87.9Confident97 Ų9796.5 Ų96.550%0.49747%0.468SS..Hα-helixtrans-47.8-54.8-177.2-65.4172.3000112.9I66 V67 H72 K73I66-I70 WeakPolarHBondContact O-CG1 3.31Å; I66-I70 PolarHBondContact O-N 2.79Å; V67-I70 PolarHBondContact O-N 3.4Å; I70-H72 PolarHBondContact O-N 3.09Å; I70-K73 WeakPolarHBondContact O-CB 3.22Å; I70-K73 PolarHBondContact O-N 2.85Å; I70-K73 VanDerWaalsContact O-N 3.1Å
71P80.3Confident87.8Confident51 Ų5190.9 Ų90.933%0.33145%0.454SS..Hα-helixtrans-65.8-22.4-17826-36.1000113.4
72H80.1Confident87.6Confident148 Ų14886.9 Ų86.969%0.68543%0.431SS*.Hα-helixtrans-79.9-21.8177.7-62.7-65.7000112.8K68 S69 I70 A74 G75K68-H72 PolarHBondContact O-CD2 2.96Å; S69-H72 WeakPolarHBondContact O-CB 3.45Å; S69-H72 PolarHBondContact O-N 3.15Å; I70-H72 PolarHBondContact O-N 3.09Å; H72-A74 PolarHBondContact O-N 3.18Å; H72-G75 PolarHBondContact O-N 2.77Å; H72-G75 VanDerWaalsContact O-N 3.17Å
73K78.8Confident87.6Confident162 Ų16284.6 Ų84.670%0.70443%0.425SS*.Hα-helixtrans-64.3-29.3176.8-69.4-174.4176.6-178.20112.6S69 I70 G75S69-K73 PolarHBondContact O-N 3.2Å; I70-K73 WeakPolarHBondContact O-CB 3.22Å; I70-K73 PolarHBondContact O-N 2.85Å; I70-K73 VanDerWaalsContact O-N 3.1Å; K73-G75 PolarHBondContact O-N 3.33Å
74A78.2Confident87.7Confident7 Ų784.9 Ų84.96%0.05843%0.425CS..THydrogen-bonded Turntrans-771.6177.700000113.9H72 Q77 Q209H72-A74 PolarHBondContact O-N 3.18Å; A74-Q77 PolarHBondContact O-NE2 3Å; A74-Q77 VanDerWaalsContact O-NE2 3.14Å; A74-Q209 VanDerWaalsContact CA-O 3.27Å; A74-Q209 WeakPolarHBondContact CA-O 3.44Å; A74-Q209 HydrophobicContact CB-CB 4.12Å; A74-Q209 VanDerWaalsContact CB-O 3.23Å; A74-Q209 WeakPolarHBondContact CB-O 3.5Å
75G83.2Confident87.7Confident27 Ų2782.6 Ų82.628%0.27841%0.409SS..  trans87.5-161.7-177.600000113.7H72 K73 Q77H72-G75 PolarHBondContact O-N 2.77Å; H72-G75 VanDerWaalsContact O-N 3.17Å; K73-G75 PolarHBondContact O-N 3.33Å; G75-Q77 PolarHBondContact O-N 2.89Å
76Y83.2Confident87.8Confident170 Ų17079.9 Ų79.967%0.66739%0.39SS*.  trans-77.589.3-171.6-63.6-75.2000113.5W78 Q215Y76-W78 VanDerWaalsContact C-N 3.34Å; Y76-W78 PolarHBondContact O-N 3.31Å; Y76-Q215 PolarHBondContact O-NE2 3.46Å
77Q86.9Confident88.1Confident12 Ų1277 Ų776%0.05638%0.377CS..THydrogen-bonded Turntrans-67.9-23.8-177.4-59.8-59-47.700115.2A74 G75 G82 S99A74-Q77 PolarHBondContact O-NE2 3Å; A74-Q77 VanDerWaalsContact O-NE2 3.14Å; G75-Q77 PolarHBondContact O-N 2.89Å; Q77-G82 CarbonylContact O-C 3.33Å; Q77-G82 VanDerWaalsContact O-CA 3.23Å; Q77-G82 WeakPolarHBondContact O-CA 3.35Å; Q77-S99 WeakPolarHBondContact CB-OG 3.4Å; Q77-S99 WeakPolarHBondContact CG-OG 3.37Å
78W90.5Very high88.4Confident137 Ų13773.1 Ų73.152%0.51935%0.354SS..THydrogen-bonded Turntrans-103.925-173.9-67.7104.3000114.7Y76 F86Y76-W78 VanDerWaalsContact C-N 3.34Å; Y76-W78 PolarHBondContact O-N 3.31Å; W78-F86 AromaticContact CH2-CD1 3.69Å; W78-F86 HydrophobicContact CH2-CD1 3.69Å; W78-F86 AromaticContact CH2-CD2 3.99Å; W78-F86 HydrophobicContact CH2-CD2 3.99Å; W78-F86 AromaticContact CH2-CE1 3.83Å; W78-F86 HydrophobicContact CH2-CE1 3.83Å; W78-F86 HydrophobicContact CH2-CE2 4.12Å; W78-F86 AromaticContact CH2-CG 3.78Å; W78-F86 HydrophobicContact CH2-CG 3.78Å; W78-F86 HydrophobicContact CH2-CZ 4.05Å; W78-F86 HydrophobicContact CZ3-CB 4.48Å; W78-F86 AromaticContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CE1 4.17Å; W78-F86 HydrophobicContact CZ3-CG 4.04Å
79K91.3Very high88.8Confident129 Ų12966 Ų6656%0.56132%0.323SS*.SBendtrans-83.6169.4162.4-62.7-61.7-175.5179.30109.8A81 G82 A83K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 2.95Å; K79-A81 VanDerWaalsContact O-N 3.16Å; K79-G82 PolarHBondContact O-N 3.33Å; K79-A83 WeakPolarHBondContact O-CB 3.2Å; K79-A83 PolarHBondContact O-N 3.02Å
80F91.4Very high89.3Confident174 Ų17465.2 Ų65.276%0.76332%0.317SS*.Hα-helixtrans-49.6-46.4-172.4-176.6-96.6000114G82 A83 F84F80-G82 PolarHBondContact O-N 2.92Å; F80-A83 PolarHBondContact O-N 2.95Å; F80-F84 VanDerWaalsContact O-CB 3.29Å; F80-F84 WeakPolarHBondContact O-CB 3.41Å; F80-F84 PolarHBondContact O-N 3.45Å
81A91.1Very high89.9Confident31 Ų3162.1 Ų62.126%0.25630%0.301SS..Hα-helixtrans-60.2-45.217900000113K79 F84 Y85K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 2.95Å; K79-A81 VanDerWaalsContact O-N 3.16Å; A81-F84 PolarHBondContact O-N 3.42Å; A81-Y85 WeakPolarHBondContact O-CB 3.21Å; A81-Y85 PolarHBondContact O-N 2.84Å
82G91.6Very high90.6Very high5 Ų560 Ų605%0.05229%0.287CS..Hα-helixtrans-73.8-35.3177.800000113.2Q77 K79 F80 F84 Y85 F86Q77-G82 CarbonylContact O-C 3.33Å; Q77-G82 VanDerWaalsContact O-CA 3.23Å; Q77-G82 WeakPolarHBondContact O-CA 3.35Å; K79-G82 PolarHBondContact O-N 3.33Å; F80-G82 PolarHBondContact O-N 2.92Å; G82-F84 VanDerWaalsContact C-N 3.32Å; G82-F84 PolarHBondContact O-N 3.28Å; G82-Y85 PolarHBondContact O-N 3.39Å; G82-F86 WeakPolarHBondContact O-CB 3.38Å; G82-F86 PolarHBondContact O-N 3.35Å
83A94.2Very high91.4Very high35 Ų3556 Ų5629%0.28927%0.273SS..Hα-helixtrans-63.5-38.6171.500000111.7K79 F80 S87K79-A83 WeakPolarHBondContact O-CB 3.2Å; K79-A83 PolarHBondContact O-N 3.02Å; F80-A83 PolarHBondContact O-N 2.95Å; A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 2.94Å
84F94.2Very high92.3Very high92 Ų9248.5 Ų48.540%0.40424%0.241SC..Hα-helixtrans-66.7-45.2174.4-173-90.5000111.4F80 A81 G82 S87 T88 L225F80-F84 VanDerWaalsContact O-CB 3.29Å; F80-F84 WeakPolarHBondContact O-CB 3.41Å; F80-F84 PolarHBondContact O-N 3.45Å; A81-F84 PolarHBondContact O-N 3.42Å; G82-F84 VanDerWaalsContact C-N 3.32Å; G82-F84 PolarHBondContact O-N 3.28Å; F84-S87 WeakPolarHBondContact CA-OG 3.29Å; F84-S87 PolarHBondContact O-N 3.44Å; F84-S87 PolarHBondContact O-OG 3.42Å; F84-T88 PolarHBondContact O-N 3.27Å; F84-T88 PolarHBondContact O-OG1 3.44Å; F84-L225 HydrophobicContact CD1-CD1 3.57Å; F84-L225 HydrophobicContact CD1-CD2 4.01Å; F84-L225 HydrophobicContact CD1-CG 4.44Å; F84-L225 HydrophobicContact CE1-CD1 3.66Å; F84-L225 HydrophobicContact CE1-CD2 3.98Å; F84-L225 HydrophobicContact CE1-CG 4.37Å
85Y93.8Very high93.1Very high1 Ų150.5 Ų50.50%0.00426%0.262CS..Hα-helixtrans-58.7-48.9174.2-173.6-112.3000111.5A81 G82 S87 T88 T89 Y96 H98 V206 L208 L225 I228A81-Y85 WeakPolarHBondContact O-CB 3.21Å; A81-Y85 PolarHBondContact O-N 2.84Å; G82-Y85 PolarHBondContact O-N 3.39Å; Y85-S87 PolarHBondContact O-N 3.37Å; Y85-T88 WeakPolarHBondContact O-CB 3.3Å; Y85-T88 PolarHBondContact O-N 3.35Å; Y85-T88 VanDerWaalsContact O-N 3.15Å; Y85-T89 HydrophobicContact CE1-CG2 4.44Å; Y85-T89 WeakPolarHBondContact O-CG2 3.43Å; Y85-T89 PolarHBondContact O-N 3.29Å; Y85-Y96 HydrophobicContact CE1-CD2 4.36Å; Y85-Y96 HydrophobicContact CE1-CE2 4.36Å; Y85-Y96 AromaticContact CZ-CE2 3.88Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.34Å; Y85-H98 AromaticContact CD1-CE1 3.89Å; Y85-H98 AromaticContact CD1-NE2 3.76Å; Y85-H98 AromaticContact CE1-CE1 3.5Å; Y85-H98 VanDerWaalsContact CE1-CE1 3.5Å; Y85-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y85-H98 AromaticContact CE1-NE2 3.66Å; Y85-V206 HydrophobicContact CE1-CG1 4.13Å; Y85-L208 HydrophobicContact CD2-CD1 4.09Å; Y85-L208 HydrophobicContact CE2-CD1 4.07Å; Y85-L225 HydrophobicContact CD2-CD2 3.83Å; Y85-I228 HydrophobicContact CE2-CD1 3.9Å
86F95.2Very high93.7Very high31 Ų3149.6 Ų49.614%0.13625%0.25CC..Hα-helixtrans-57.6-44.7173.2173.2-97.6000112.4W78 G82 T88 T89 V90 S99 P101W78-F86 AromaticContact CH2-CD1 3.69Å; W78-F86 HydrophobicContact CH2-CD1 3.69Å; W78-F86 AromaticContact CH2-CD2 3.99Å; W78-F86 HydrophobicContact CH2-CD2 3.99Å; W78-F86 AromaticContact CH2-CE1 3.83Å; W78-F86 HydrophobicContact CH2-CE1 3.83Å; W78-F86 HydrophobicContact CH2-CE2 4.12Å; W78-F86 AromaticContact CH2-CG 3.78Å; W78-F86 HydrophobicContact CH2-CG 3.78Å; W78-F86 HydrophobicContact CH2-CZ 4.05Å; W78-F86 HydrophobicContact CZ3-CB 4.48Å; W78-F86 AromaticContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CE1 4.17Å; W78-F86 HydrophobicContact CZ3-CG 4.04Å; G82-F86 WeakPolarHBondContact O-CB 3.38Å; G82-F86 PolarHBondContact O-N 3.35Å; F86-T88 PolarHBondContact O-N 2.88Å; F86-T89 PolarHBondContact O-N 3.27Å; F86-T89 PolarHBondContact O-OG1 2.92Å; F86-V90 HydrophobicContact CD1-CG2 4.36Å; F86-V90 HydrophobicContact CD2-CG2 4.49Å; F86-V90 HydrophobicContact CE1-CG2 3.84Å; F86-V90 HydrophobicContact CE2-CG2 3.99Å; F86-V90 HydrophobicContact CZ-CG2 3.62Å; F86-V90 WeakPolarHBondContact O-CG2 3.48Å; F86-V90 PolarHBondContact O-N 3.31Å; F86-V90 VanDerWaalsContact O-N 3.08Å; F86-S99 WeakPolarHBondContact CD2-O 3.37Å; F86-S99 WeakPolarHBondContact CE2-O 3.49Å; F86-P101 HydrophobicContact CZ-CG 4.38Å
87S96.9Very high94.2Very high25 Ų2543.9 Ų43.918%0.17524%0.243CC..Hα-helixtrans-62.6-34.6178.475.40000112.3A83 F84 Y85 I91A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 2.94Å; F84-S87 WeakPolarHBondContact CA-OG 3.29Å; F84-S87 PolarHBondContact O-N 3.44Å; F84-S87 PolarHBondContact O-OG 3.42Å; Y85-S87 PolarHBondContact O-N 3.37Å; S87-I91 WeakPolarHBondContact O-CG1 3.35Å; S87-I91 PolarHBondContact O-N 3.1Å
88T95.8Very high94.3Very high7 Ų744.8 Ų44.84%0.04325%0.247CC..Hα-helixtrans-66.6-46.6175.6-56.90000110.3F84 Y85 F86 V90 I91 T92 L225 L229F84-T88 PolarHBondContact O-N 3.27Å; F84-T88 PolarHBondContact O-OG1 3.44Å; Y85-T88 WeakPolarHBondContact O-CB 3.3Å; Y85-T88 PolarHBondContact O-N 3.35Å; Y85-T88 VanDerWaalsContact O-N 3.15Å; F86-T88 PolarHBondContact O-N 2.88Å; T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 2.9Å; T88-I91 WeakPolarHBondContact O-CG1 3.48Å; T88-I91 PolarHBondContact O-N 3.44Å; T88-T92 HydrophobicContact CG2-CG2 4.09Å; T88-T92 VanDerWaalsContact O-CB 3.32Å; T88-T92 WeakPolarHBondContact O-CB 3.43Å; T88-T92 VanDerWaalsContact O-CG2 3.26Å; T88-T92 WeakPolarHBondContact O-CG2 3.41Å; T88-T92 PolarHBondContact O-N 3.2Å; T88-T92 PolarHBondContact O-OG1 3.31Å; T88-L225 HydrophobicContact CG2-CD2 4.37Å; T88-L229 HydrophobicContact CG2-CD2 4.16Å
89T96Very high94.2Very high6 Ų638.8 Ų38.84%0.03723%0.226CC..Hα-helixtrans-65.9-28.2-179.462.80000113Y85 F86 T92 T93 I94 G95 Y96Y85-T89 HydrophobicContact CE1-CG2 4.44Å; Y85-T89 WeakPolarHBondContact O-CG2 3.43Å; Y85-T89 PolarHBondContact O-N 3.29Å; F86-T89 PolarHBondContact O-N 3.27Å; F86-T89 PolarHBondContact O-OG1 2.92Å; T89-T92 WeakPolarHBondContact CA-OG1 3.31Å; T89-T93 PolarHBondContact O-N 3.43Å; T89-I94 PolarHBondContact O-N 2.86Å; T89-I94 VanDerWaalsContact O-N 3.09Å; T89-G95 PolarHBondContact O-N 3.37Å; T89-G95 VanDerWaalsContact O-N 3.14Å; T89-Y96 HydrophobicContact CG2-CD2 3.61Å; T89-Y96 HydrophobicContact CG2-CE2 3.75Å
90V97.5Very high94.3Very high22 Ų2236.9 Ų36.913%0.13323%0.225CC..Hα-helixtrans-70.5-53.2174.2172.80000111.5F86 T88 T92 T93 Y113 A114F86-V90 HydrophobicContact CD1-CG2 4.36Å; F86-V90 HydrophobicContact CD2-CG2 4.49Å; F86-V90 HydrophobicContact CE1-CG2 3.84Å; F86-V90 HydrophobicContact CE2-CG2 3.99Å; F86-V90 HydrophobicContact CZ-CG2 3.62Å; F86-V90 WeakPolarHBondContact O-CG2 3.48Å; F86-V90 PolarHBondContact O-N 3.31Å; F86-V90 VanDerWaalsContact O-N 3.08Å; T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 2.9Å; V90-T92 VanDerWaalsContact C-N 3.32Å; V90-T92 PolarHBondContact O-N 3.41Å; V90-T93 PolarHBondContact O-N 2.91Å; V90-Y113 HydrophobicContact CB-CD1 4.48Å; V90-Y113 HydrophobicContact CB-CE1 4.42Å; V90-Y113 HydrophobicContact CG1-CD1 3.92Å; V90-Y113 HydrophobicContact CG1-CE1 4.27Å; V90-A114 HydrophobicContact CG1-CB 3.89Å
91I97.3Very high94.5Very high33 Ų3329.8 Ų29.817%0.16920%0.196CC..Hα-helixtrans-72.2-26.9-175.766.3-176.5000113.1S87 T88 T93 Y113 T121S87-I91 WeakPolarHBondContact O-CG1 3.35Å; S87-I91 PolarHBondContact O-N 3.1Å; T88-I91 WeakPolarHBondContact O-CG1 3.48Å; T88-I91 PolarHBondContact O-N 3.44Å; I91-T93 VanDerWaalsContact C-N 3.28Å; I91-Y113 HydrophobicContact CG2-CD1 4.22Å; I91-Y113 HydrophobicContact CG2-CE1 3.39Å; I91-T121 WeakPolarHBondContact CB-OG1 3.47Å; I91-T121 HydrophobicContact CG1-CG2 4.49Å; I91-T121 WeakPolarHBondContact O-CG2 3.39Å
92T96Very high94.6Very high5 Ų532.7 Ų32.73%0.03122%0.22CC..THydrogen-bonded Turntrans-86.41.6175.557.90000113.3T88 T89 V90 I94 T121 F125 T199 L232T88-T92 HydrophobicContact CG2-CG2 4.09Å; T88-T92 VanDerWaalsContact O-CB 3.32Å; T88-T92 WeakPolarHBondContact O-CB 3.43Å; T88-T92 VanDerWaalsContact O-CG2 3.26Å; T88-T92 WeakPolarHBondContact O-CG2 3.41Å; T88-T92 PolarHBondContact O-N 3.2Å; T88-T92 PolarHBondContact O-OG1 3.31Å; T89-T92 WeakPolarHBondContact CA-OG1 3.31Å; V90-T92 VanDerWaalsContact C-N 3.32Å; V90-T92 PolarHBondContact O-N 3.41Å; T92-I94 PolarHBondContact O-N 3.41Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.3Å; T92-T121 HydrophobicContact CG2-CG2 4.35Å; T92-F125 HydrophobicContact CG2-CE2 4.1Å; T92-F125 HydrophobicContact CG2-CZ 4.13Å; T92-T199 VanDerWaalsContact O-CG2 3.29Å; T92-T199 WeakPolarHBondContact O-CG2 3.47Å; T92-L232 HydrophobicContact CG2-CD1 3.49Å; T92-L232 VanDerWaalsContact CG2-CD1 3.49Å
93T96.8Very high94.8Very high66 Ų6636.9 Ų36.941%0.40525%0.245SC..THydrogen-bonded Turntrans55.818.4-178.268.30000115.4T89 V90 I91 I118T89-T93 PolarHBondContact O-N 3.43Å; V90-T93 PolarHBondContact O-N 2.91Å; I91-T93 VanDerWaalsContact C-N 3.28Å; T93-I118 HydrophobicContact CG2-CB 4.42Å; T93-I118 HydrophobicContact CG2-CD1 3.76Å; T93-I118 HydrophobicContact CG2-CG1 3.76Å; T93-I118 HydrophobicContact CG2-CG2 3.8Å
94I96.9Very high95Very high4 Ų441.3 Ų41.32%0.02127%0.269CS..  trans-69.3-52.3175.6-61.1167.1000110.2T89 T92 Y96 T196 T199 G201 I228 L232T89-I94 PolarHBondContact O-N 2.86Å; T89-I94 VanDerWaalsContact O-N 3.09Å; T92-I94 PolarHBondContact O-N 3.41Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.3Å; I94-Y96 HydrophobicContact CG2-CD1 3.88Å; I94-Y96 HydrophobicContact CG2-CD2 4.15Å; I94-Y96 HydrophobicContact CG2-CE1 3.59Å; I94-Y96 HydrophobicContact CG2-CE2 3.85Å; I94-Y96 HydrophobicContact CG2-CG 4.15Å; I94-Y96 PolarHBondContact O-N 2.94Å; I94-T196 HydrophobicContact CD1-CG2 4.11Å; I94-T199 HydrophobicContact CG1-CG2 4.22Å; I94-G201 WeakPolarHBondContact O-CA 3.46Å; I94-I228 HydrophobicContact CD1-CG2 3.66Å; I94-L232 HydrophobicContact CD1-CD1 4.22Å
95G95.8Very high95.2Very high48 Ų4839.4 Ų39.450%0.49528%0.275SS..  trans61.141.6169.800000118.3T89 G97T89-G95 PolarHBondContact O-N 3.37Å; T89-G95 VanDerWaalsContact O-N 3.14Å; G95-G97 PolarHBondContact O-N 3.19Å
96Y95.1Very high95.3Very high8 Ų840.4 Ų40.43%0.03129%0.285CS..  trans-46.6-24.5-178.7-62.5-60.7000118Y85 T89 I94 H98 Y192 T196 G201 G203 V206Y85-Y96 HydrophobicContact CE1-CD2 4.36Å; Y85-Y96 HydrophobicContact CE1-CE2 4.36Å; Y85-Y96 AromaticContact CZ-CE2 3.88Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.34Å; T89-Y96 HydrophobicContact CG2-CD2 3.61Å; T89-Y96 HydrophobicContact CG2-CE2 3.75Å; I94-Y96 HydrophobicContact CG2-CD1 3.88Å; I94-Y96 HydrophobicContact CG2-CD2 4.15Å; I94-Y96 HydrophobicContact CG2-CE1 3.59Å; I94-Y96 HydrophobicContact CG2-CE2 3.85Å; I94-Y96 HydrophobicContact CG2-CG 4.15Å; I94-Y96 PolarHBondContact O-N 2.94Å; Y96-H98 VanDerWaalsContact CB-ND1 3.35Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.08Å; Y96-H98 PolarHBondContact O-N 3.37Å; Y96-Y192 HydrophobicContact CE1-CE2 4.11Å; Y96-Y192 PolarHBondContact OH-OH 3.35Å; Y96-T196 WeakPolarHBondContact OH-CB 3.34Å; Y96-T196 WeakPolarHBondContact OH-CG2 3.34Å; Y96-T196 PolarHBondContact OH-OG1 2.91Å; Y96-G201 VanDerWaalsContact CA-O 3.32Å; Y96-G201 WeakPolarHBondContact CA-O 3.32Å; Y96-G203 VanDerWaalsContact O-CA 3.28Å; Y96-G203 WeakPolarHBondContact O-CA 3.35Å; Y96-V206 HydrophobicContact CD1-CG2 4.1Å; Y96-V206 HydrophobicContact CD2-CG1 4.15Å; Y96-V206 HydrophobicContact CE2-CG1 4.5Å; Y96-V206 HydrophobicContact CG-CG1 4.37Å; Y96-V206 HydrophobicContact CG-CG2 4Å
97G93.1Very high95.5Very high50 Ų5044.1 Ų44.152%0.51530%0.301SS..  trans74.8-6.7179.500000117.1G95 S99G95-G97 PolarHBondContact O-N 3.19Å; G97-S99 PolarHBondContact O-N 3.16Å
98H89.5Confident95.5Very high31 Ų3144.8 Ų44.814%0.14431%0.309CS..SBendtrans-59-29.5174.968.5-79.1000113.5Y85 Y96 V206 Q209Y85-H98 AromaticContact CD1-CE1 3.89Å; Y85-H98 AromaticContact CD1-NE2 3.76Å; Y85-H98 AromaticContact CE1-CE1 3.5Å; Y85-H98 VanDerWaalsContact CE1-CE1 3.5Å; Y85-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y85-H98 AromaticContact CE1-NE2 3.66Å; Y96-H98 VanDerWaalsContact CB-ND1 3.35Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.08Å; Y96-H98 PolarHBondContact O-N 3.37Å; H98-V206 HydrophobicContact CB-CG2 4.2Å; H98-Q209 PolarHBondContact CD2-NE2 3.34Å; H98-Q209 VanDerWaalsContact CD2-NE2 3.3Å
99S89.3Confident95.6Very high12 Ų1251.1 Ų51.18%0.08434%0.336CS..SBendtrans-132.7123.9172.7-72.10000109.8Q77 F86 G97Q77-S99 WeakPolarHBondContact CB-OG 3.4Å; Q77-S99 WeakPolarHBondContact CG-OG 3.37Å; F86-S99 WeakPolarHBondContact CD2-O 3.37Å; F86-S99 WeakPolarHBondContact CE2-O 3.49Å; G97-S99 PolarHBondContact O-N 3.16Å
100T93.3Very high95.7Very high88 Ų8852.1 Ų52.154%0.5434%0.342SS..  trans-133.8148.5-179.758.90000111.5A102T100-A102 PolarHBondContact O-N 3.33Å; T100-A102 VanDerWaalsContact O-N 3.13Å
101P95.1Very high95.8Very high25 Ų2557.5 Ų57.516%0.16237%0.368CS..  trans-67.2113.618025.2-32.3000110.6F86 K107 C110F86-P101 HydrophobicContact CZ-CG 4.38Å; P101-K107 HydrophobicContact CB-CG 4.18Å; P101-K107 HydrophobicContact CG-CG 4.06Å; P101-K107 WeakPolarHBondContact O-CE 3.34Å; P101-K107 VanDerWaalsContact O-CG 3.27Å; P101-K107 WeakPolarHBondContact O-CG 3.44Å; P101-C110 HydrophobicContact CG-CB 4.24Å
102A92.5Very high95.8Very high92 Ų9263.2 Ų63.276%0.7639%0.392SS*.  trans-81-28.9177.900000112.9T100T100-A102 PolarHBondContact O-N 3.33Å; T100-A102 VanDerWaalsContact O-N 3.13Å
103T96.5Very high95.9Very high93 Ų9366.6 Ų66.657%0.57141%0.405SS*.SBendtrans-83.3150.3-17665.20000111.9G105 G106 K107T103-G105 VanDerWaalsContact C-N 3.3Å; T103-G105 PolarHBondContact O-N 2.85Å; T103-G106 PolarHBondContact O-N 3.11Å; T103-G106 PolarHBondContact OG1-N 2.99Å; T103-K107 WeakPolarHBondContact O-CG 3.49Å; T103-K107 PolarHBondContact O-N 2.89Å
104V97.8Very high95.9Very high129 Ų12964.5 Ų64.578%0.78239%0.394SS*.Hα-helixtrans-58.7-43.9176.4-179.80000111K107 A108V104-K107 PolarHBondContact O-N 3.45Å; V104-A108 PolarHBondContact O-N 3.12Å
105G98.1Very high96Very high52 Ų5270.5 Ų70.554%0.53643%0.425SS..Hα-helixtrans-63.1-42.4176.900000113T103 K107 A108 F109T103-G105 VanDerWaalsContact C-N 3.3Å; T103-G105 PolarHBondContact O-N 2.85Å; G105-K107 PolarHBondContact O-N 3.17Å; G105-A108 PolarHBondContact O-N 3.41Å; G105-F109 WeakPolarHBondContact O-CB 3.35Å; G105-F109 PolarHBondContact O-N 2.93Å
106G97.4Very high96Very high21 Ų2171.6 Ų71.622%0.21643%0.429CS..Hα-helixtrans-63.9-39.7176.400000112.8T103 C110T103-G106 PolarHBondContact O-N 3.11Å; T103-G106 PolarHBondContact OG1-N 2.99Å; G106-C110 VanDerWaalsContact O-CB 3.26Å; G106-C110 WeakPolarHBondContact O-CB 3.33Å; G106-C110 PolarHBondContact O-N 3.38Å
107K98.1Very high96.1Very high109 Ų10971.6 Ų71.647%0.47443%0.432SS..Hα-helixtrans-64.7-47.7175.4-70.3178.8-177.8-173.10111.7P101 T103 V104 G105 C110 M111P101-K107 HydrophobicContact CB-CG 4.18Å; P101-K107 HydrophobicContact CG-CG 4.06Å; P101-K107 WeakPolarHBondContact O-CE 3.34Å; P101-K107 VanDerWaalsContact O-CG 3.27Å; P101-K107 WeakPolarHBondContact O-CG 3.44Å; T103-K107 WeakPolarHBondContact O-CG 3.49Å; T103-K107 PolarHBondContact O-N 2.89Å; V104-K107 PolarHBondContact O-N 3.45Å; G105-K107 PolarHBondContact O-N 3.17Å; K107-C110 WeakPolarHBondContact O-CB 3.41Å; K107-C110 PolarHBondContact O-N 2.92Å; K107-M111 WeakPolarHBondContact O-CG 3.29Å; K107-M111 PolarHBondContact O-N 2.9Å; K107-M111 VanDerWaalsContact O-N 3.13Å
108A98.2Very high96.3Very high40 Ų4071.6 Ų71.633%0.33142%0.42SS..Hα-helixtrans-61.2-47177.600000111.5V104 G105 C110 M111 F112V104-A108 PolarHBondContact O-N 3.12Å; G105-A108 PolarHBondContact O-N 3.41Å; A108-C110 VanDerWaalsContact C-N 3.34Å; A108-C110 PolarHBondContact O-N 2.98Å; A108-M111 PolarHBondContact O-N 3.05Å; A108-F112 WeakPolarHBondContact O-CD2 3.27Å; A108-F112 PolarHBondContact O-N 3.36Å
109F98.1Very high96.7Very high139 Ų13973.4 Ų73.461%0.6143%0.434SS*.Hα-helixtrans-58.9-44.6175.8178.8-99000111.9G105 M111 F112 Y113G105-F109 WeakPolarHBondContact O-CB 3.35Å; G105-F109 PolarHBondContact O-N 2.93Å; F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 2.94Å; F109-F112 PolarHBondContact O-N 2.99Å; F109-Y113 HydrophobicContact CE1-CD2 4.3Å; F109-Y113 HydrophobicContact CE1-CG 4.25Å; F109-Y113 HydrophobicContact CZ-CD2 4.17Å; F109-Y113 WeakPolarHBondContact O-CB 3.49Å; F109-Y113 PolarHBondContact O-N 2.87Å
110C98.1Very high97Very high27 Ų2778.8 Ų78.818%0.18246%0.462CS..Hα-helixtrans-58.3-38.9177.8-171.80000112.6P101 G106 K107 A108 A114P101-C110 HydrophobicContact CG-CB 4.24Å; G106-C110 VanDerWaalsContact O-CB 3.26Å; G106-C110 WeakPolarHBondContact O-CB 3.33Å; G106-C110 PolarHBondContact O-N 3.38Å; K107-C110 WeakPolarHBondContact O-CB 3.41Å; K107-C110 PolarHBondContact O-N 2.92Å; A108-C110 VanDerWaalsContact C-N 3.34Å; A108-C110 PolarHBondContact O-N 2.98Å; C110-A114 VanDerWaalsContact O-CB 3.27Å; C110-A114 WeakPolarHBondContact O-CB 3.26Å; C110-A114 PolarHBondContact O-N 3.43Å
111M97.9Very high97.1Very high136 Ų13675.2 Ų75.267%0.6744%0.439SS*.Hα-helixtrans-63.2-49.6177-67170.4-17500111.7K107 A108 F109 A114 L115K107-M111 WeakPolarHBondContact O-CG 3.29Å; K107-M111 PolarHBondContact O-N 2.9Å; K107-M111 VanDerWaalsContact O-N 3.13Å; A108-M111 PolarHBondContact O-N 3.05Å; F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 2.94Å; M111-A114 PolarHBondContact O-N 3.1Å; M111-L115 PolarHBondContact O-N 3.15Å; M111-L115 VanDerWaalsContact O-N 3.11Å
112F97.9Very high97Very high153 Ų15379 Ų7967%0.67146%0.458SS*.Hα-helixtrans-67.4-38178.2-70.8-69.4000112.4A108 F109 L115 A116A108-F112 WeakPolarHBondContact O-CD2 3.27Å; A108-F112 PolarHBondContact O-N 3.36Å; F109-F112 PolarHBondContact O-N 2.99Å; F112-L115 PolarHBondContact O-N 2.87Å; F112-A116 PolarHBondContact O-N 2.87Å
113Y98.3Very high97.1Very high76 Ų7679.1 Ų79.130%0.29845%0.449SS..Hα-helixtrans-63.5-44.6176.8-177.9-105.2000111.7V90 I91 F109 G117V90-Y113 HydrophobicContact CB-CD1 4.48Å; V90-Y113 HydrophobicContact CB-CE1 4.42Å; V90-Y113 HydrophobicContact CG1-CD1 3.92Å; V90-Y113 HydrophobicContact CG1-CE1 4.27Å; I91-Y113 HydrophobicContact CG2-CD1 4.22Å; I91-Y113 HydrophobicContact CG2-CE1 3.39Å; F109-Y113 HydrophobicContact CE1-CD2 4.3Å; F109-Y113 HydrophobicContact CE1-CG 4.25Å; F109-Y113 HydrophobicContact CZ-CD2 4.17Å; F109-Y113 WeakPolarHBondContact O-CB 3.49Å; F109-Y113 PolarHBondContact O-N 2.87Å; Y113-G117 WeakPolarHBondContact O-CA 3.4Å; Y113-G117 PolarHBondContact O-N 2.98Å
114A97.9Very high97Very high21 Ų2178.3 Ų78.317%0.17444%0.439CS..Hα-helixtrans-65.4-4017700000112.5V90 C110 M111 A116 G117 I118V90-A114 HydrophobicContact CG1-CB 3.89Å; C110-A114 VanDerWaalsContact O-CB 3.27Å; C110-A114 WeakPolarHBondContact O-CB 3.26Å; C110-A114 PolarHBondContact O-N 3.43Å; M111-A114 PolarHBondContact O-N 3.1Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A114-G117 PolarHBondContact O-N 2.91Å; A114-I118 HydrophobicContact CB-CD1 4Å; A114-I118 WeakPolarHBondContact O-CB 3.32Å; A114-I118 VanDerWaalsContact O-CG1 3.3Å; A114-I118 WeakPolarHBondContact O-CG1 3.49Å; A114-I118 PolarHBondContact O-N 3.43Å
115L97.4Very high96.8Very high131 Ų13172.9 Ų72.969%0.68641%0.405SS*.Hα-helixtrans-57.1-42.9-179.9-17965.4000112.7M111 F112 P119M111-L115 PolarHBondContact O-N 3.15Å; M111-L115 VanDerWaalsContact O-N 3.11Å; F112-L115 PolarHBondContact O-N 2.87Å; L115-P119 WeakPolarHBondContact O-CD 3.31Å; L115-P119 WeakPolarHBondContact O-CG 3.47Å
116A96.5Very high96.4Very high70 Ų7073.8 Ų73.858%0.57940%0.396SS*.Hα-helixtrans-87.3-36.7177.300000112.8F112 A114 L120F112-A116 PolarHBondContact O-N 2.87Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A116-L120 WeakPolarHBondContact O-CB 3.34Å; A116-L120 PolarHBondContact O-N 3.47Å
117G97.5Very high96.2Very high9 Ų975.6 Ų75.69%0.09341%0.405CS..Hα-helixtrans-69.5-43.8-174.200000113.7Y113 A114 L120 T121Y113-G117 WeakPolarHBondContact O-CA 3.4Å; Y113-G117 PolarHBondContact O-N 2.98Å; A114-G117 PolarHBondContact O-N 2.91Å; G117-L120 PolarHBondContact O-N 3.36Å; G117-T121 WeakPolarHBondContact O-CB 3.46Å; G117-T121 PolarHBondContact O-N 2.88Å; G117-T121 PolarHBondContact O-OG1 3.49Å; G117-T121 VanDerWaalsContact O-OG1 3.1Å
118I97.1Very high96Very high50 Ų5074.1 Ų74.126%0.25640%0.401SS..Hα-helixtrans-62.5-51.4-176.6-63.8166.4000111.5T93 A114 L120 T121 L122T93-I118 HydrophobicContact CG2-CB 4.42Å; T93-I118 HydrophobicContact CG2-CD1 3.76Å; T93-I118 HydrophobicContact CG2-CG1 3.76Å; T93-I118 HydrophobicContact CG2-CG2 3.8Å; A114-I118 HydrophobicContact CB-CD1 4Å; A114-I118 WeakPolarHBondContact O-CB 3.32Å; A114-I118 VanDerWaalsContact O-CG1 3.3Å; A114-I118 WeakPolarHBondContact O-CG1 3.49Å; A114-I118 PolarHBondContact O-N 3.43Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.18Å; I118-T121 PolarHBondContact O-N 3.12Å; I118-L122 HydrophobicContact CG2-CD1 3.98Å; I118-L122 HydrophobicContact CG2-CG 4.33Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.27Å
119P97Very high95.7Very high69 Ų6972.2 Ų72.245%0.44839%0.386SS..Hα-helixtrans-59.4-41.3176.6-24.434.9000113L115 L122 V123L115-P119 WeakPolarHBondContact O-CD 3.31Å; L115-P119 WeakPolarHBondContact O-CG 3.47Å; P119-L122 PolarHBondContact O-N 3.31Å; P119-V123 WeakPolarHBondContact O-CG2 3.39Å; P119-V123 PolarHBondContact O-N 3.38Å
120L96.5Very high95.3Very high125 Ų12570 Ų7065%0.65438%0.377SS*.Hα-helixtrans-61.2-46177.7179.965.7000111.4A116 G117 I118 V123 M124A116-L120 WeakPolarHBondContact O-CB 3.34Å; A116-L120 PolarHBondContact O-N 3.47Å; G117-L120 PolarHBondContact O-N 3.36Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.18Å; L120-V123 PolarHBondContact O-N 2.84Å; L120-M124 WeakPolarHBondContact O-CB 3.47Å; L120-M124 PolarHBondContact O-N 3.23Å
121T95.2Very high95.1Very high12 Ų1276.3 Ų76.37%0.07440%0.397CS..Hα-helixtrans-67.6-38.3178.9-65.70000112.2I91 T92 G117 I118 M124 F125I91-T121 WeakPolarHBondContact CB-OG1 3.47Å; I91-T121 HydrophobicContact CG1-CG2 4.49Å; I91-T121 WeakPolarHBondContact O-CG2 3.39Å; T92-T121 HydrophobicContact CG2-CG2 4.35Å; G117-T121 WeakPolarHBondContact O-CB 3.46Å; G117-T121 PolarHBondContact O-N 2.88Å; G117-T121 PolarHBondContact O-OG1 3.49Å; G117-T121 VanDerWaalsContact O-OG1 3.1Å; I118-T121 PolarHBondContact O-N 3.12Å; T121-M124 HydrophobicContact CG2-CE 4.27Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.03Å; T121-F125 HydrophobicContact CG2-CD2 3.6Å; T121-F125 HydrophobicContact CG2-CE2 3.28Å; T121-F125 HydrophobicContact CG2-CZ 4.11Å; T121-F125 WeakPolarHBondContact O-CD2 3.19Å; T121-F125 PolarHBondContact O-N 3.5Å
122L93.3Very high94.8Very high105 Ų10571.7 Ų71.755%0.5538%0.375SS..Hα-helixtrans-60.4-49.1173.5-73.6173000111.5I118 P119 M124 F125 Q126I118-L122 HydrophobicContact CG2-CD1 3.98Å; I118-L122 HydrophobicContact CG2-CG 4.33Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.27Å; P119-L122 PolarHBondContact O-N 3.31Å; L122-M124 VanDerWaalsContact C-N 3.32Å; L122-M124 PolarHBondContact O-N 3.43Å; L122-F125 PolarHBondContact O-N 2.88Å; L122-Q126 WeakPolarHBondContact O-CG 3.5Å; L122-Q126 PolarHBondContact O-N 3.34Å
123V93.9Very high94.5Very high94 Ų9464.9 Ų64.957%0.5735%0.346SS*.Hα-helixtrans-62-40.3177.1173.20000111.4P119 L120 Q126 S127P119-V123 WeakPolarHBondContact O-CG2 3.39Å; P119-V123 PolarHBondContact O-N 3.38Å; L120-V123 PolarHBondContact O-N 2.84Å; V123-Q126 PolarHBondContact O-N 3.45Å; V123-S127 WeakPolarHBondContact O-CB 3.27Å; V123-S127 PolarHBondContact O-N 3.2Å; V123-S127 PolarHBondContact O-OG 2.89Å
124M94.6Very high94.2Very high76 Ų7665.2 Ų65.237%0.37436%0.356SS..Hα-helixtrans-59.9-51.1175.4-178.6-159.273.200111.3L120 T121 L122 Q126 S127 I128L120-M124 WeakPolarHBondContact O-CB 3.47Å; L120-M124 PolarHBondContact O-N 3.23Å; T121-M124 HydrophobicContact CG2-CE 4.27Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.03Å; L122-M124 VanDerWaalsContact C-N 3.32Å; L122-M124 PolarHBondContact O-N 3.43Å; M124-Q126 VanDerWaalsContact C-N 3.32Å; M124-Q126 PolarHBondContact O-N 3.28Å; M124-S127 PolarHBondContact O-N 3.02Å; M124-I128 HydrophobicContact CG-CD1 3.71Å; M124-I128 HydrophobicContact CG-CG1 4.42Å; M124-I128 VanDerWaalsContact O-CG1 3.29Å; M124-I128 WeakPolarHBondContact O-CG1 3.48Å; M124-I128 PolarHBondContact O-N 3.28Å; M124-I128 HydrophobicContact SD-CD1 4.34Å
125F93.7Very high93.9Very high16 Ų1669 Ų697%0.0737%0.372CS..Hα-helixtrans-65.6-32.8179.9-76.4-46.1000113.3T92 T121 L122 G129 L229 L232 T233 S236T92-F125 HydrophobicContact CG2-CE2 4.1Å; T92-F125 HydrophobicContact CG2-CZ 4.13Å; T121-F125 HydrophobicContact CG2-CD2 3.6Å; T121-F125 HydrophobicContact CG2-CE2 3.28Å; T121-F125 HydrophobicContact CG2-CZ 4.11Å; T121-F125 WeakPolarHBondContact O-CD2 3.19Å; T121-F125 PolarHBondContact O-N 3.5Å; L122-F125 PolarHBondContact O-N 2.88Å; F125-G129 WeakPolarHBondContact O-CA 3.39Å; F125-G129 PolarHBondContact O-N 3.47Å; F125-L229 HydrophobicContact CZ-CD2 4.34Å; F125-L232 HydrophobicContact CD1-CB 4.35Å; F125-L232 HydrophobicContact CE1-CB 3.7Å; F125-L232 HydrophobicContact CE2-CB 3.94Å; F125-L232 HydrophobicContact CE2-CD1 3.91Å; F125-L232 HydrophobicContact CZ-CB 3.46Å; F125-L232 VanDerWaalsContact CZ-CB 3.46Å; F125-L232 HydrophobicContact CZ-CD1 3.64Å; F125-L232 HydrophobicContact CZ-CG 4.23Å; F125-T233 WeakPolarHBondContact CD1-OG1 3.46Å; F125-S236 PolarHBondContact O-OG 3.33Å; F125-S236 VanDerWaalsContact O-OG 3.05Å
126Q90.1Very high93.6Very high71 Ų7163.3 Ų63.333%0.33234%0.343SS..Hα-helixtrans-65.5-51.1172.2-71.9-64.5-57.500110.9L122 V123 M124 I128 G129 E130 S236 N240L122-Q126 WeakPolarHBondContact O-CG 3.5Å; L122-Q126 PolarHBondContact O-N 3.34Å; V123-Q126 PolarHBondContact O-N 3.45Å; M124-Q126 VanDerWaalsContact C-N 3.32Å; M124-Q126 PolarHBondContact O-N 3.28Å; Q126-I128 PolarHBondContact O-N 3.39Å; Q126-G129 PolarHBondContact O-N 3.4Å; Q126-G129 VanDerWaalsContact O-N 3.15Å; Q126-E130 WeakPolarHBondContact O-CG 3.5Å; Q126-E130 PolarHBondContact O-N 3.28Å; Q126-S236 PolarHBondContact NE2-OG 3.34Å; Q126-N240 PolarHBondContact OE1-OD1 3.46Å
127S92.6Very high93.3Very high59 Ų5960.4 Ų60.441%0.41332%0.319SS..Hα-helixtrans-59.1-47.2-179.5-58.60000112V123 M124 R131V123-S127 WeakPolarHBondContact O-CB 3.27Å; V123-S127 PolarHBondContact O-N 3.2Å; V123-S127 PolarHBondContact O-OG 2.89Å; M124-S127 PolarHBondContact O-N 3.02Å; S127-R131 VanDerWaalsContact O-CG 3.3Å; S127-R131 WeakPolarHBondContact O-CG 3.49Å; S127-R131 PolarHBondContact O-N 3.47Å
128I94Very high92.9Very high77 Ų7766.4 Ų66.440%0.39534%0.342SS..Hα-helixtrans-68.5-39.2178-59.2171.7000110.2M124 Q126 E130 R131 L132 T233M124-I128 HydrophobicContact CG-CD1 3.71Å; M124-I128 HydrophobicContact CG-CG1 4.42Å; M124-I128 VanDerWaalsContact O-CG1 3.29Å; M124-I128 WeakPolarHBondContact O-CG1 3.48Å; M124-I128 PolarHBondContact O-N 3.28Å; M124-I128 HydrophobicContact SD-CD1 4.34Å; Q126-I128 PolarHBondContact O-N 3.39Å; I128-E130 PolarHBondContact O-N 3.48Å; I128-R131 PolarHBondContact O-N 2.91Å; I128-L132 WeakPolarHBondContact O-CB 3.26Å; I128-L132 PolarHBondContact O-N 2.94Å; I128-T233 HydrophobicContact CB-CG2 3.97Å; I128-T233 HydrophobicContact CG2-CG2 3.34Å
129G91.6Very high92.6Very high0 Ų066.5 Ų66.50%035%0.348CS..Hα-helixtrans-60-41.5177.900000113.3F125 Q126 L132 N133F125-G129 WeakPolarHBondContact O-CA 3.39Å; F125-G129 PolarHBondContact O-N 3.47Å; Q126-G129 PolarHBondContact O-N 3.4Å; Q126-G129 VanDerWaalsContact O-N 3.15Å; G129-L132 PolarHBondContact O-N 2.91Å; G129-N133 WeakPolarHBondContact O-CB 3.32Å; G129-N133 PolarHBondContact O-N 3.05Å; G129-N133 PolarHBondContact O-ND2 3.46Å
130E90.7Very high92.2Very high94 Ų9464.2 Ų64.244%0.43933%0.332SS..Hα-helixtrans-62.5-42.3173.7-72.7177-178.200112.8Q126 I128 N133 T134 N240Q126-E130 WeakPolarHBondContact O-CG 3.5Å; Q126-E130 PolarHBondContact O-N 3.28Å; I128-E130 PolarHBondContact O-N 3.48Å; E130-N133 PolarHBondContact O-N 2.85Å; E130-T134 PolarHBondContact O-N 3.35Å; E130-T134 PolarHBondContact O-OG1 3.33Å; E130-N240 VanDerWaalsContact CG-ND2 3.31Å; E130-N240 WeakPolarHBondContact CG-ND2 3.49Å
131R93.1Very high91.8Very high158 Ų15864.1 Ų64.160%0.59632%0.323SS*.Hα-helixtrans-65.9-41.6176.9-61.2-65.9166176-2.6110.9S127 I128 T134 I135S127-R131 VanDerWaalsContact O-CG 3.3Å; S127-R131 WeakPolarHBondContact O-CG 3.49Å; S127-R131 PolarHBondContact O-N 3.47Å; I128-R131 PolarHBondContact O-N 2.91Å; R131-T134 WeakPolarHBondContact O-CB 3.4Å; R131-T134 PolarHBondContact O-N 3.03Å; R131-I135 WeakPolarHBondContact O-CG1 3.26Å; R131-I135 PolarHBondContact O-N 3.41Å
132L92.6Very high91.4Very high39 Ų3965.3 Ų65.320%0.20433%0.333CS..Hα-helixtrans-60.7-46.2174.7-173.766.1000111.1I128 G129 T134 I135 V136 T233 V234 A237I128-L132 WeakPolarHBondContact O-CB 3.26Å; I128-L132 PolarHBondContact O-N 2.94Å; G129-L132 PolarHBondContact O-N 2.91Å; L132-T134 VanDerWaalsContact C-N 3.29Å; L132-T134 PolarHBondContact O-N 2.82Å; L132-I135 WeakPolarHBondContact O-CB 3.38Å; L132-I135 PolarHBondContact O-N 2.92Å; L132-I135 VanDerWaalsContact O-N 3.16Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 3.22Å; L132-T233 HydrophobicContact CD2-CG2 4.43Å; L132-V234 HydrophobicContact CD2-CG2 3.95Å; L132-A237 HydrophobicContact CD2-CB 4.07Å
133N91Very high91.2Very high11 Ų1165.8 Ų65.86%0.05934%0.335CS..Hα-helixtrans-60-38.1175.2-78.8-23.6000112.3G129 E130 V136 A137 L159 A237 L241G129-N133 WeakPolarHBondContact O-CB 3.32Å; G129-N133 PolarHBondContact O-N 3.05Å; G129-N133 PolarHBondContact O-ND2 3.46Å; E130-N133 PolarHBondContact O-N 2.85Å; N133-V136 PolarHBondContact O-N 2.85Å; N133-A137 WeakPolarHBondContact O-CB 3.42Å; N133-A137 PolarHBondContact O-N 3.32Å; N133-L159 HydrophobicContact CB-CD2 4.19Å; N133-A237 PolarHBondContact ND2-O 3.43Å; N133-L241 WeakPolarHBondContact ND2-CG 3.3Å
134T91.2Very high90.8Very high82 Ų8264.5 Ų64.550%0.50332%0.32SS..Hα-helixtrans-64.3-43.9174.5-58.40000111.7E130 R131 L132 A137 F138E130-T134 PolarHBondContact O-N 3.35Å; E130-T134 PolarHBondContact O-OG1 3.33Å; R131-T134 WeakPolarHBondContact O-CB 3.4Å; R131-T134 PolarHBondContact O-N 3.03Å; L132-T134 VanDerWaalsContact C-N 3.29Å; L132-T134 PolarHBondContact O-N 2.82Å; T134-A137 PolarHBondContact O-N 2.93Å; T134-F138 WeakPolarHBondContact O-CB 3.26Å; T134-F138 PolarHBondContact O-N 3.31Å
135I92Very high90.4Very high100 Ų10070.4 Ų70.451%0.51334%0.338SS..Hα-helixtrans-61.8-47.2175.7-68164.9000110.1R131 L132 A137 F138 S139R131-I135 WeakPolarHBondContact O-CG1 3.26Å; R131-I135 PolarHBondContact O-N 3.41Å; L132-I135 WeakPolarHBondContact O-CB 3.38Å; L132-I135 PolarHBondContact O-N 2.92Å; L132-I135 VanDerWaalsContact O-N 3.16Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.49Å; I135-F138 WeakPolarHBondContact O-CB 3.42Å; I135-F138 PolarHBondContact O-N 3.37Å; I135-S139 PolarHBondContact O-N 3.42Å; I135-S139 PolarHBondContact O-OG 3.1Å; I135-S139 VanDerWaalsContact O-OG 3.1Å
136V91.3Very high90.1Very high13 Ų1375.2 Ų75.28%0.07937%0.373CS..Hα-helixtrans-60.1-44.4176.7173.70000110.7L132 N133 F138 S139 I140 L159 V162 I166L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 3.22Å; N133-V136 PolarHBondContact O-N 2.85Å; V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 PolarHBondContact O-N 3Å; V136-S139 PolarHBondContact O-N 3Å; V136-I140 HydrophobicContact CG1-CD1 3.82Å; V136-I140 HydrophobicContact CG1-CG1 4.35Å; V136-I140 VanDerWaalsContact O-CG1 3.26Å; V136-I140 WeakPolarHBondContact O-CG1 3.29Å; V136-I140 PolarHBondContact O-N 3.25Å; V136-L159 HydrophobicContact CB-CD1 3.89Å; V136-L159 HydrophobicContact CG1-CD1 3.55Å; V136-V162 HydrophobicContact CG1-CB 4.12Å; V136-V162 HydrophobicContact CG1-CG1 3.49Å; V136-V162 VanDerWaalsContact CG1-CG1 3.49Å; V136-I166 HydrophobicContact CG2-CD1 3.91Å
137A89.9Confident89.9Confident9 Ų975.2 Ų75.27%0.07439%0.385CS..Hα-helixtrans-63.3-36.7177.100000112.5N133 T134 I135 R141 L159N133-A137 WeakPolarHBondContact O-CB 3.42Å; N133-A137 PolarHBondContact O-N 3.32Å; T134-A137 PolarHBondContact O-N 2.93Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.49Å; A137-R141 VanDerWaalsContact O-CG 3.28Å; A137-R141 WeakPolarHBondContact O-CG 3.46Å; A137-R141 PolarHBondContact O-N 3.36Å; A137-R141 VanDerWaalsContact O-N 3.1Å; A137-R141 PolarHBondContact O-NE 3.17Å; A137-L159 HydrophobicContact CB-CD1 4.36Å
138F90.4Very high89.3Confident134 Ų13475.5 Ų75.559%0.58840%0.397SS*.Hα-helixtrans-66.2-46.6173.2179.2-95.6000111.4T134 I135 V136 I140 R141 A142T134-F138 WeakPolarHBondContact O-CB 3.26Å; T134-F138 PolarHBondContact O-N 3.31Å; I135-F138 WeakPolarHBondContact O-CB 3.42Å; I135-F138 PolarHBondContact O-N 3.37Å; V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 PolarHBondContact O-N 3Å; F138-I140 PolarHBondContact O-N 3.13Å; F138-R141 WeakPolarHBondContact O-CB 3.34Å; F138-R141 PolarHBondContact O-N 3.22Å; F138-R141 VanDerWaalsContact O-N 3.12Å; F138-A142 PolarHBondContact O-N 3.44Å
139S90.2Very high88.4Confident53 Ų5375 Ų7537%0.37140%0.398SS..Hα-helixtrans-59.8-44176.8-630000112.1I135 V136 R141 A142 I143I135-S139 PolarHBondContact O-N 3.42Å; I135-S139 PolarHBondContact O-OG 3.1Å; I135-S139 VanDerWaalsContact O-OG 3.1Å; V136-S139 PolarHBondContact O-N 3Å; S139-R141 VanDerWaalsContact C-N 3.33Å; S139-R141 PolarHBondContact O-N 3.19Å; S139-A142 PolarHBondContact O-N 2.85Å; S139-I143 VanDerWaalsContact O-CG1 3.26Å; S139-I143 WeakPolarHBondContact O-CG1 3.31Å; S139-I143 PolarHBondContact O-N 3.39Å
140I88.5Confident87.3Confident21 Ų2184.9 Ų84.911%0.10844%0.44CS..Hα-helixtrans-60.4-43.6174.6-67.1165.8000110.5V136 F138 I143 R144 V154 L159 V162V136-I140 HydrophobicContact CG1-CD1 3.82Å; V136-I140 HydrophobicContact CG1-CG1 4.35Å; V136-I140 VanDerWaalsContact O-CG1 3.26Å; V136-I140 WeakPolarHBondContact O-CG1 3.29Å; V136-I140 PolarHBondContact O-N 3.25Å; F138-I140 PolarHBondContact O-N 3.13Å; I140-I143 PolarHBondContact O-N 2.78Å; I140-R144 HydrophobicContact CG2-CG 4.37Å; I140-R144 VanDerWaalsContact O-CB 3.29Å; I140-R144 WeakPolarHBondContact O-CB 3.1Å; I140-R144 WeakPolarHBondContact O-CG 3.49Å; I140-R144 PolarHBondContact O-N 3.1Å; I140-V154 HydrophobicContact CB-CG2 4.37Å; I140-V154 HydrophobicContact CD1-CG1 4.23Å; I140-V154 HydrophobicContact CG2-CG1 4.37Å; I140-V154 HydrophobicContact CG2-CG2 3.92Å; I140-L159 HydrophobicContact CD1-CD1 4.46Å; I140-V162 HydrophobicContact CD1-CB 4.25Å; I140-V162 HydrophobicContact CD1-CG1 4.47Å; I140-V162 HydrophobicContact CD1-CG2 3.88Å; I140-V162 HydrophobicContact CG1-CG2 4.43Å
141R87.3Confident86.1Confident123 Ų12388.3 Ų88.346%0.46445%0.454SS..Hα-helixtrans-63.3-41.3177-76.1178.7-114.1174.2-7.1111.9A137 F138 S139 R145 V154A137-R141 VanDerWaalsContact O-CG 3.28Å; A137-R141 WeakPolarHBondContact O-CG 3.46Å; A137-R141 PolarHBondContact O-N 3.36Å; A137-R141 VanDerWaalsContact O-N 3.1Å; A137-R141 PolarHBondContact O-NE 3.17Å; F138-R141 WeakPolarHBondContact O-CB 3.34Å; F138-R141 PolarHBondContact O-N 3.22Å; F138-R141 VanDerWaalsContact O-N 3.12Å; S139-R141 VanDerWaalsContact C-N 3.33Å; S139-R141 PolarHBondContact O-N 3.19Å; R141-R145 VanDerWaalsContact O-CB 3.31Å; R141-R145 WeakPolarHBondContact O-CB 3.35Å; R141-R145 PolarHBondContact O-N 2.96Å; R141-V154 HydrophobicContact CG-CG2 3.63Å
142A88.2Confident84.8Confident36 Ų3689.4 Ų89.430%0.29846%0.463SS..Hα-helixtrans-64-49177.200000111.2F138 S139 R144 R145 C146F138-A142 PolarHBondContact O-N 3.44Å; S139-A142 PolarHBondContact O-N 2.85Å; A142-R144 PolarHBondContact O-N 2.87Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 3.09Å; A142-C146 PolarHBondContact O-N 3.47Å; A142-C146 PolarHBondContact O-SG 2.91Å; A142-C146 VanDerWaalsContact O-SG 3.32Å
143I88.2Confident84Confident116 Ų11693.1 Ų93.160%0.59549%0.488SS*.Hα-helixtrans-60.4-46.2177.5-66.4164.9000110.8S139 I140 R145 C146 A147S139-I143 VanDerWaalsContact O-CG1 3.26Å; S139-I143 WeakPolarHBondContact O-CG1 3.31Å; S139-I143 PolarHBondContact O-N 3.39Å; I140-I143 PolarHBondContact O-N 2.78Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.39Å; I143-C146 PolarHBondContact O-N 2.89Å; I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 3.45Å
144R86.5Confident83.4Confident67 Ų6794.3 Ų94.325%0.25350%0.495SS..Hα-helixtrans-63.3-32.7177.8-79.5-174.5-176.8178.54.6113.3I140 A142 G148 T149 T153 S158I140-R144 HydrophobicContact CG2-CG 4.37Å; I140-R144 VanDerWaalsContact O-CB 3.29Å; I140-R144 WeakPolarHBondContact O-CB 3.1Å; I140-R144 WeakPolarHBondContact O-CG 3.49Å; I140-R144 PolarHBondContact O-N 3.1Å; A142-R144 PolarHBondContact O-N 2.87Å; R144-G148 PolarHBondContact O-N 2.89Å; R144-T149 WeakPolarHBondContact CA-OG1 3.31Å; R144-T149 VanDerWaalsContact CB-OG1 3.27Å; R144-T149 WeakPolarHBondContact CB-OG1 3.27Å; R144-T149 PolarHBondContact O-N 3.2Å; R144-T149 VanDerWaalsContact O-N 3.12Å; R144-T149 PolarHBondContact O-OG1 2.97Å; R144-T153 PolarHBondContact NH1-O 3.47Å; R144-S158 PolarHBondContact NH2-OG 3.04Å
145R84.8Confident83Confident199 Ų19993.3 Ų93.375%0.75149%0.492SS*.Hα-helixtrans-68.4-44.5173.9-172.4-179.2-65.1166-1.7110.8R141 A142 I143 A147 G148R141-R145 VanDerWaalsContact O-CB 3.31Å; R141-R145 WeakPolarHBondContact O-CB 3.35Å; R141-R145 PolarHBondContact O-N 2.96Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 3.09Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.39Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 2.81Å; R145-G148 PolarHBondContact O-N 3.33Å
146C87.6Confident82.6Confident118 Ų11895.3 Ų95.380%0.79750%0.498SS*.Hα-helixtrans-64.9-34.9174.8-62.90000112.3A142 I143 G148A142-C146 PolarHBondContact O-N 3.47Å; A142-C146 PolarHBondContact O-SG 2.91Å; A142-C146 VanDerWaalsContact O-SG 3.32Å; I143-C146 PolarHBondContact O-N 2.89Å; C146-G148 VanDerWaalsContact C-N 3.27Å; C146-G148 PolarHBondContact O-N 3.5Å
147A86.6Confident82.1Confident71 Ų7199 Ų9959%0.58752%0.521SS*.THydrogen-bonded Turntrans-80.63.3177.800000114.5I143 R145 T149I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 3.45Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 2.81Å; A147-T149 HydrophobicContact CB-CG2 4.45Å; A147-T149 PolarHBondContact O-N 3.31Å
148G79Confident82Confident64 Ų64100.3 Ų100.366%0.6653%0.529SS*.THydrogen-bonded Turntrans67.516.4176.500000115.6R144 R145 C146R144-G148 PolarHBondContact O-N 2.89Å; R145-G148 PolarHBondContact O-N 3.33Å; C146-G148 VanDerWaalsContact C-N 3.27Å; C146-G148 PolarHBondContact O-N 3.5Å
149T76.4Confident81.8Confident67 Ų6794.7 Ų94.741%0.41151%0.506SS..  trans-74.3132.6-175.2520000112.7R144 A147 K151R144-T149 WeakPolarHBondContact CA-OG1 3.31Å; R144-T149 VanDerWaalsContact CB-OG1 3.27Å; R144-T149 WeakPolarHBondContact CB-OG1 3.27Å; R144-T149 PolarHBondContact O-N 3.2Å; R144-T149 VanDerWaalsContact O-N 3.12Å; R144-T149 PolarHBondContact O-OG1 2.97Å; A147-T149 HydrophobicContact CB-CG2 4.45Å; A147-T149 PolarHBondContact O-N 3.31Å; T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 2.9Å
150K67.2Low81.6Confident207 Ų20793.5 Ų93.590%0.950%0.496SS*.SBendtrans-67.5-24.2-178.8-65.5-175.6179.9-179.30113.8K152K150-K152 PolarHBondContact O-N 3.23Å
151K67Low81.6Confident167 Ų16798.3 Ų98.373%0.72652%0.52SS*.  trans-83.793.8-178.3-71.8-173.8178.9-179.50111.5T149T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 2.9Å
152K64.9Low81.8Confident181 Ų18194.9 Ų94.979%0.78751%0.512SS*.  trans-78.3-14179.1-64.8-179.2-178.1176.10114.3K150K150-K152 PolarHBondContact O-N 3.23Å
153T75.7Confident81.9Confident117 Ų11793.4 Ų93.472%0.71850%0.5SS*.  trans-83.5128.6-179.353.50000111.2R144R144-T153 PolarHBondContact NH1-O 3.47Å
154V79Confident81.9Confident36 Ų3690.5 Ų90.522%0.21849%0.49CS..  trans-91.2113.4172.7-178.90000107.1I140 R141I140-V154 HydrophobicContact CB-CG2 4.37Å; I140-V154 HydrophobicContact CD1-CG1 4.23Å; I140-V154 HydrophobicContact CG2-CG1 4.37Å; I140-V154 HydrophobicContact CG2-CG2 3.92Å; R141-V154 HydrophobicContact CG-CG2 3.63Å
155S83.5Confident82.1Confident61 Ų6191 Ų9143%0.42750%0.501SS..  trans-73.6146.5175.3175.50000110.4T157 S158 L159S155-T157 PolarHBondContact O-N 3.04Å; S155-T157 PolarHBondContact OG-N 2.99Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 3.21Å; S155-L159 PolarHBondContact O-N 3.36Å; S155-L159 VanDerWaalsContact O-N 3.09Å
156H81.6Confident82.5Confident142 Ų14284.4 Ų84.466%0.65748%0.48SS*.Hα-helixtrans-53.4-34.6171.8-72.5-91.3000112L159 T160H156-L159 PolarHBondContact O-N 2.89Å; H156-T160 WeakPolarHBondContact O-CB 3.33Å; H156-T160 PolarHBondContact O-N 2.67Å; H156-T160 PolarHBondContact O-OG1 3.49Å
157T82.8Confident82.8Confident89 Ų8979.7 Ų79.755%0.54645%0.451SS..Hα-helixtrans-63.7-43174.9-44.80000111.7S155 L159 T160 M161S155-T157 PolarHBondContact O-N 3.04Å; S155-T157 PolarHBondContact OG-N 2.99Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.97Å; T157-T160 PolarHBondContact O-N 3.49Å; T157-M161 WeakPolarHBondContact O-CB 3.49Å; T157-M161 VanDerWaalsContact O-CG 3.25Å; T157-M161 WeakPolarHBondContact O-CG 3.41Å; T157-M161 PolarHBondContact O-N 3Å
158S86.2Confident83.1Confident37 Ų3780.9 Ų80.926%0.25945%0.451SS..Hα-helixtrans-64.2-40.2177.2-58.80000111.4R144 S155 M161 V162R144-S158 PolarHBondContact NH2-OG 3.04Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 3.21Å; S158-M161 PolarHBondContact O-N 3.41Å; S158-V162 WeakPolarHBondContact O-CG2 2.97Å; S158-V162 PolarHBondContact O-N 3.08Å
159L86.9Confident83.9Confident17 Ų1783 Ų839%0.08945%0.446CS..Hα-helixtrans-65.7-44.2178.2-173.762.4000111.3N133 V136 A137 I140 S155 H156 T157 M161 V162 A163 L241N133-L159 HydrophobicContact CB-CD2 4.19Å; V136-L159 HydrophobicContact CB-CD1 3.89Å; V136-L159 HydrophobicContact CG1-CD1 3.55Å; A137-L159 HydrophobicContact CB-CD1 4.36Å; I140-L159 HydrophobicContact CD1-CD1 4.46Å; S155-L159 PolarHBondContact O-N 3.36Å; S155-L159 VanDerWaalsContact O-N 3.09Å; H156-L159 PolarHBondContact O-N 2.89Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.97Å; L159-M161 PolarHBondContact O-N 2.9Å; L159-V162 PolarHBondContact O-N 3.45Å; L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 3.29Å; L159-L241 HydrophobicContact CB-CD1 4.3Å; L159-L241 HydrophobicContact CD2-CD1 3.9Å; L159-L241 HydrophobicContact CD2-CD2 3.6Å; L159-L241 HydrophobicContact CD2-CG 4.41Å; L159-L241 HydrophobicContact CG-CD1 3.63Å; L159-L241 HydrophobicContact CG-CD2 4.28Å
160T85.9Confident84.8Confident28 Ų2880.9 Ų80.917%0.17243%0.432CS..Hα-helixtrans-60.6-46.4176.1-52.60000110.9H156 T157 V162 A163 S164 L242H156-T160 WeakPolarHBondContact O-CB 3.33Å; H156-T160 PolarHBondContact O-N 2.67Å; H156-T160 PolarHBondContact O-OG1 3.49Å; T157-T160 PolarHBondContact O-N 3.49Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 3.08Å; T160-A163 PolarHBondContact O-N 3.42Å; T160-S164 WeakPolarHBondContact O-CB 3.34Å; T160-S164 PolarHBondContact O-N 3.34Å; T160-S164 PolarHBondContact O-OG 2.93Å; T160-L242 HydrophobicContact CG2-CD2 3.89Å; T160-L242 HydrophobicContact CG2-CG 4.34Å
161M88.5Confident86.2Confident122 Ų12272.3 Ų72.360%0.60140%0.395SS*.Hα-helixtrans-60.4-41.4177.3-71.3-64.2-69.300112.5T157 S158 L159 T165T157-M161 WeakPolarHBondContact O-CB 3.49Å; T157-M161 VanDerWaalsContact O-CG 3.25Å; T157-M161 WeakPolarHBondContact O-CG 3.41Å; T157-M161 PolarHBondContact O-N 3Å; S158-M161 PolarHBondContact O-N 3.41Å; L159-M161 PolarHBondContact O-N 2.9Å; M161-T165 PolarHBondContact O-N 2.95Å; M161-T165 PolarHBondContact O-OG1 3.21Å
162V91.3Very high87.6Confident51 Ų5166 Ų6631%0.30938%0.375SS..Hα-helixtrans-69.6-42.6178173.90000111.3V136 I140 S158 L159 T160 S164 T165 I166V136-V162 HydrophobicContact CG1-CB 4.12Å; V136-V162 HydrophobicContact CG1-CG1 3.49Å; V136-V162 VanDerWaalsContact CG1-CG1 3.49Å; I140-V162 HydrophobicContact CD1-CB 4.25Å; I140-V162 HydrophobicContact CD1-CG1 4.47Å; I140-V162 HydrophobicContact CD1-CG2 3.88Å; I140-V162 HydrophobicContact CG1-CG2 4.43Å; S158-V162 WeakPolarHBondContact O-CG2 2.97Å; S158-V162 PolarHBondContact O-N 3.08Å; L159-V162 PolarHBondContact O-N 3.45Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 3.08Å; V162-S164 VanDerWaalsContact C-N 3.34Å; V162-S164 PolarHBondContact O-N 3.06Å; V162-T165 PolarHBondContact O-N 3.26Å; V162-I166 HydrophobicContact CG1-CD1 3.87Å; V162-I166 HydrophobicContact CG1-CG1 4.38Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.27Å; V162-I166 PolarHBondContact O-N 3.49Å
163A89.3Confident89Confident5 Ų560.4 Ų60.44%0.04136%0.358CS..Hα-helixtrans-59.8-44.2175.500000111.4L159 T160 T165 I166 G167 A238 L241L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 3.29Å; T160-A163 PolarHBondContact O-N 3.42Å; A163-T165 PolarHBondContact O-N 3.47Å; A163-I166 PolarHBondContact O-N 2.71Å; A163-G167 PolarHBondContact O-N 2.84Å; A163-A238 HydrophobicContact CB-CB 4.22Å; A163-L241 HydrophobicContact CB-CD1 4.27Å
164S88.7Confident90Very high55 Ų5554.9 Ų54.939%0.38532%0.324SS..Hα-helixtrans-61.3-43.4174.3-60.30000112.1T160 V162 G167 T168T160-S164 WeakPolarHBondContact O-CB 3.34Å; T160-S164 PolarHBondContact O-N 3.34Å; T160-S164 PolarHBondContact O-OG 2.93Å; V162-S164 VanDerWaalsContact C-N 3.34Å; V162-S164 PolarHBondContact O-N 3.06Å; S164-G167 PolarHBondContact O-N 3.32Å; S164-T168 PolarHBondContact O-N 3.23Å; S164-T168 PolarHBondContact O-OG1 3.43Å; S164-T168 VanDerWaalsContact O-OG1 3.08Å
165T92.2Very high90.9Very high78 Ų7853.1 Ų53.148%0.47931%0.314SS..Hα-helixtrans-63.5-42.3176.4-60.30000112.2M161 V162 A163 G167 T168 I169M161-T165 PolarHBondContact O-N 2.95Å; M161-T165 PolarHBondContact O-OG1 3.21Å; V162-T165 PolarHBondContact O-N 3.26Å; A163-T165 PolarHBondContact O-N 3.47Å; T165-G167 VanDerWaalsContact C-N 3.31Å; T165-G167 PolarHBondContact O-N 2.87Å; T165-T168 PolarHBondContact O-N 3.31Å; T165-I169 HydrophobicContact CG2-CD1 3.92Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.37Å; T165-I169 PolarHBondContact O-N 2.6Å
166I93.2Very high91.5Very high60 Ų6056.1 Ų56.131%0.30832%0.317SS..Hα-helixtrans-61.1-43.8174.4-67.3167000110V136 V162 A163 I169 L170 V234V136-I166 HydrophobicContact CG2-CD1 3.91Å; V162-I166 HydrophobicContact CG1-CD1 3.87Å; V162-I166 HydrophobicContact CG1-CG1 4.38Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.27Å; V162-I166 PolarHBondContact O-N 3.49Å; A163-I166 PolarHBondContact O-N 2.71Å; I166-I169 PolarHBondContact O-N 2.99Å; I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 PolarHBondContact O-N 3.08Å; I166-V234 HydrophobicContact CG2-CG1 4.06Å; I166-V234 HydrophobicContact CG2-CG2 4.39Å
167G93.2Very high92.2Very high18 Ų1850.1 Ų50.119%0.18629%0.292CS..Hα-helixtrans-58.6-46.7175.300000112.8A163 S164 T165 L170 M171A163-G167 PolarHBondContact O-N 2.84Å; S164-G167 PolarHBondContact O-N 3.32Å; T165-G167 VanDerWaalsContact C-N 3.31Å; T165-G167 PolarHBondContact O-N 2.87Å; G167-L170 PolarHBondContact O-N 3.03Å; G167-M171 WeakPolarHBondContact O-CB 3.48Å; G167-M171 PolarHBondContact O-N 3.23Å
168T92.9Very high92.8Very high97 Ų9745.9 Ų45.960%0.59527%0.266SS*.Hα-helixtrans-63.6-42.6177.5-56.80000112.2S164 T165 M171 A172S164-T168 PolarHBondContact O-N 3.23Å; S164-T168 PolarHBondContact O-OG1 3.43Å; S164-T168 VanDerWaalsContact O-OG1 3.08Å; T165-T168 PolarHBondContact O-N 3.31Å; T168-M171 PolarHBondContact O-N 2.85Å; T168-A172 WeakPolarHBondContact O-CB 3.45Å; T168-A172 PolarHBondContact O-N 3.43Å
169I95.5Very high93.3Very high108 Ų10847.1 Ų47.155%0.55427%0.267SS*.Hα-helixtrans-64.6-42176.4-67.9167.1000110.6T165 I166 M171 A172 S173T165-I169 HydrophobicContact CG2-CD1 3.92Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.37Å; T165-I169 PolarHBondContact O-N 2.6Å; I166-I169 PolarHBondContact O-N 2.99Å; I169-M171 VanDerWaalsContact C-N 3.33Å; I169-M171 PolarHBondContact O-N 3.45Å; I169-A172 PolarHBondContact O-N 3.14Å; I169-S173 WeakPolarHBondContact O-CB 3.15Å; I169-S173 PolarHBondContact O-N 3.06Å; I169-S173 PolarHBondContact O-OG 3.24Å
170L95.7Very high93.7Very high22 Ų2253.3 Ų53.312%0.11529%0.289CS..Hα-helixtrans-61.5-44.3176.2-178.467.4000111.1I166 G167 S173 G174 F227 F230 V234I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 PolarHBondContact O-N 3.08Å; G167-L170 PolarHBondContact O-N 3.03Å; L170-S173 WeakPolarHBondContact CA-OG 3.4Å; L170-S173 PolarHBondContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 3.38Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; L170-G174 PolarHBondContact O-N 2.8Å; L170-F227 HydrophobicContact CD1-CD2 4.21Å; L170-F227 HydrophobicContact CD1-CE2 3.95Å; L170-F227 HydrophobicContact CG-CE2 4.06Å; L170-F230 HydrophobicContact CD1-CD1 3.89Å; L170-F230 HydrophobicContact CD1-CE1 4.09Å; L170-F230 HydrophobicContact CD2-CD1 4Å; L170-F230 HydrophobicContact CD2-CE1 4.28Å; L170-V234 HydrophobicContact CD2-CB 4.18Å; L170-V234 HydrophobicContact CD2-CG2 4.08Å
171M95.1Very high94Very high27 Ų2757.5 Ų57.513%0.13331%0.306CS..Hα-helixtrans-61.4-47.1177.6-16368.871.600111.6G167 T168 I169 G174 A175 L190 C193 F194 L197G167-M171 WeakPolarHBondContact O-CB 3.48Å; G167-M171 PolarHBondContact O-N 3.23Å; T168-M171 PolarHBondContact O-N 2.85Å; I169-M171 VanDerWaalsContact C-N 3.33Å; I169-M171 PolarHBondContact O-N 3.45Å; M171-G174 PolarHBondContact O-N 2.87Å; M171-A175 VanDerWaalsContact O-CB 3.32Å; M171-A175 WeakPolarHBondContact O-CB 3.37Å; M171-A175 PolarHBondContact O-N 2.97Å; M171-L190 HydrophobicContact CG-CD1 3.7Å; M171-C193 HydrophobicContact CG-CB 4.27Å; M171-C193 HydrophobicContact SD-CB 3.21Å; M171-C193 WeakPolarHBondContact SD-CB 3.26Å; M171-F194 HydrophobicContact CE-CB 4.45Å; M171-F194 HydrophobicContact CE-CD2 4.36Å; M171-F194 HydrophobicContact SD-CB 4.36Å; M171-F194 PolarHBondContact SD-N 2.9Å; M171-F194 VanDerWaalsContact SD-N 3.37Å; M171-L197 HydrophobicContact CE-CB 4.08Å; M171-L197 HydrophobicContact CE-CD1 3.72Å; M171-L197 HydrophobicContact CE-CG 4.34Å; M171-L197 HydrophobicContact SD-CD1 4.02Å
172A96.3Very high94.2Very high36 Ų3652 Ų5230%0.29828%0.278SS..Hα-helixtrans-66-42.8179.400000112.7T168 I169 A175 Y176 Y186T168-A172 WeakPolarHBondContact O-CB 3.45Å; T168-A172 PolarHBondContact O-N 3.43Å; I169-A172 PolarHBondContact O-N 3.14Å; A172-A175 PolarHBondContact O-N 2.86Å; A172-Y176 PolarHBondContact O-N 3.2Å; A172-Y186 PolarHBondContact O-OH 3.43Å
173S96.3Very high94.3Very high62 Ų6256.7 Ų56.743%0.43430%0.297SS..Hα-helixtrans-68-38.4176.957.30000112.5I169 L170 Y176 A177I169-S173 WeakPolarHBondContact O-CB 3.15Å; I169-S173 PolarHBondContact O-N 3.06Å; I169-S173 PolarHBondContact O-OG 3.24Å; L170-S173 WeakPolarHBondContact CA-OG 3.4Å; L170-S173 PolarHBondContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 3.38Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; S173-Y176 PolarHBondContact O-N 3.49Å; S173-A177 PolarHBondContact O-N 3.36Å
174G96.2Very high94.6Very high1 Ų157.9 Ų57.91%0.0130%0.3CS..Hα-helixtrans-59.6-51.2170.500000112L170 M171 Y176 A177 F178L170-G174 PolarHBondContact O-N 2.8Å; M171-G174 PolarHBondContact O-N 2.87Å; G174-Y176 VanDerWaalsContact C-N 3.28Å; G174-Y176 PolarHBondContact O-N 3.38Å; G174-A177 WeakPolarHBondContact O-CB 3.32Å; G174-A177 PolarHBondContact O-N 2.91Å; G174-F178 WeakPolarHBondContact O-CD2 3.39Å; G174-F178 PolarHBondContact O-N 3.37Å
175A97.2Very high95Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-56.3-43.1177.500000111.8M171 A172 A177 F178 H179 Y186 S189 L190M171-A175 VanDerWaalsContact O-CB 3.32Å; M171-A175 WeakPolarHBondContact O-CB 3.37Å; M171-A175 PolarHBondContact O-N 2.97Å; A172-A175 PolarHBondContact O-N 2.86Å; A175-A177 PolarHBondContact O-N 3.34Å; A175-F178 PolarHBondContact O-N 2.88Å; A175-H179 WeakPolarHBondContact O-CB 3.28Å; A175-H179 PolarHBondContact O-N 3.49Å; A175-Y186 HydrophobicContact CB-CD2 4.29Å; A175-Y186 HydrophobicContact CB-CE2 3.73Å; A175-S189 WeakPolarHBondContact O-CB 3.33Å; A175-L190 HydrophobicContact CB-CB 3.95Å; A175-L190 HydrophobicContact CB-CD1 3.94Å
176Y97.3Very high95.2Very high124 Ų12462.8 Ų62.849%0.48631%0.308SS..Hα-helixtrans-62.9-40.9175.5-179.7-104.3000112.5A172 S173 G174 R180A172-Y176 PolarHBondContact O-N 3.2Å; S173-Y176 PolarHBondContact O-N 3.49Å; G174-Y176 VanDerWaalsContact C-N 3.28Å; G174-Y176 PolarHBondContact O-N 3.38Å; Y176-R180 HydrophobicContact CE1-CG 4.37Å; Y176-R180 HydrophobicContact CE2-CG 4.46Å; Y176-R180 WeakPolarHBondContact O-CG 3.21Å; Y176-R180 PolarHBondContact O-N 3.34Å; Y176-R180 PolarHBondContact OH-NE 3.06Å; Y176-R180 PolarHBondContact OH-NH2 2.96Å
177A96.1Very high95.4Very high15 Ų1565.7 Ų65.712%0.12432%0.324CS..Hα-helixtrans-65.2-48.6177.100000111.8S173 G174 A175 H179 R180 F181 F223S173-A177 PolarHBondContact O-N 3.36Å; G174-A177 WeakPolarHBondContact O-CB 3.32Å; G174-A177 PolarHBondContact O-N 2.91Å; A175-A177 PolarHBondContact O-N 3.34Å; A177-H179 PolarHBondContact O-N 2.93Å; A177-R180 PolarHBondContact O-N 3.49Å; A177-R180 VanDerWaalsContact O-N 3.14Å; A177-F181 HydrophobicContact CB-CD2 4.44Å; A177-F181 WeakPolarHBondContact O-CD2 3.43Å; A177-F181 PolarHBondContact O-N 2.99Å; A177-F223 HydrophobicContact CB-CE1 3.78Å; A177-F223 HydrophobicContact CB-CE2 4.45Å; A177-F223 HydrophobicContact CB-CZ 3.42Å; A177-F223 VanDerWaalsContact CB-CZ 3.42Å
178F95.5Very high95.6Very high0 Ų066.8 Ų66.80%033%0.325CS..Hα-helixtrans-66.9-35.6179.2-70.2-67.6000112.7G174 A175 R180 F181 E182 W184 Y192 C193 A207 Y220 F223 F227G174-F178 WeakPolarHBondContact O-CD2 3.39Å; G174-F178 PolarHBondContact O-N 3.37Å; A175-F178 PolarHBondContact O-N 2.88Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.89Å; F178-F181 PolarHBondContact O-N 3.31Å; F178-E182 WeakPolarHBondContact O-CB 3.29Å; F178-E182 PolarHBondContact O-N 3.28Å; F178-W184 HydrophobicContact CB-CE3 4.48Å; F178-W184 HydrophobicContact CB-CZ3 4.49Å; F178-Y192 HydrophobicContact CD1-CD1 4.49Å; F178-Y192 AromaticContact CD1-CE1 3.91Å; F178-Y192 HydrophobicContact CD1-CE1 3.91Å; F178-Y192 AromaticContact CD2-CD1 3.98Å; F178-Y192 HydrophobicContact CD2-CD1 3.98Å; F178-Y192 AromaticContact CD2-CE1 3.74Å; F178-Y192 HydrophobicContact CD2-CE1 3.74Å; F178-Y192 AromaticContact CE1-CE1 3.86Å; F178-Y192 HydrophobicContact CE1-CE1 3.86Å; F178-Y192 HydrophobicContact CE2-CD1 4.35Å; F178-Y192 AromaticContact CE2-CE1 3.71Å; F178-Y192 HydrophobicContact CE2-CE1 3.71Å; F178-Y192 HydrophobicContact CG-CD1 4.08Å; F178-Y192 AromaticContact CG-CE1 3.86Å; F178-Y192 HydrophobicContact CG-CE1 3.86Å; F178-Y192 AromaticContact CZ-CE1 3.77Å; F178-Y192 HydrophobicContact CZ-CE1 3.77Å; F178-C193 VanDerWaalsContact CD2-SG 3.51Å; F178-A207 HydrophobicContact CD1-CB 3.95Å; F178-A207 HydrophobicContact CE1-CB 3.62Å; F178-Y220 HydrophobicContact CD1-CE2 4.43Å; F178-Y220 WeakPolarHBondContact CD1-OH 3.32Å; F178-Y220 HydrophobicContact CE1-CE2 4.24Å; F178-F223 HydrophobicContact CZ-CE1 4.27Å; F178-F227 AromaticContact CE2-CD1 3.6Å; F178-F227 HydrophobicContact CE2-CD1 3.6Å; F178-F227 AromaticContact CE2-CE1 3.69Å; F178-F227 HydrophobicContact CE2-CE1 3.69Å; F178-F227 HydrophobicContact CE2-CG 4.13Å; F178-F227 HydrophobicContact CE2-CZ 4.29Å; F178-F227 AromaticContact CZ-CD1 3.96Å; F178-F227 HydrophobicContact CZ-CD1 3.96Å; F178-F227 HydrophobicContact CZ-CE1 4.45Å; F178-F227 HydrophobicContact CZ-CG 4.43Å
179H96.1Very high95.9Very high64 Ų6462.1 Ų62.130%0.29630%0.297SS..Hα-helixtrans-53.9-44.7170.1168.965.7000111.3A175 A177 Q183 W184 Y186 S189A175-H179 WeakPolarHBondContact O-CB 3.28Å; A175-H179 PolarHBondContact O-N 3.49Å; A177-H179 PolarHBondContact O-N 2.93Å; H179-Q183 VanDerWaalsContact O-CA 3.3Å; H179-Q183 WeakPolarHBondContact O-CA 3.35Å; H179-Q183 PolarHBondContact O-N 2.97Å; H179-Q183 VanDerWaalsContact O-N 3.13Å; H179-W184 PolarHBondContact CE1-O 3.15Å; H179-W184 PolarHBondContact ND1-O 3.34Å; H179-Y186 HydrophobicContact CB-CD2 4.48Å; H179-S189 VanDerWaalsContact CA-OG 3.3Å; H179-S189 WeakPolarHBondContact CA-OG 3.48Å; H179-S189 PolarHBondContact N-OG 2.84Å
180R94.8Very high96Very high147 Ų14759.8 Ų59.856%0.55529%0.285SS*.Hα-helixtrans-72.4-42.5179-68.9-67.1-165145.91.1113.4Y176 A177 F178 Q183Y176-R180 HydrophobicContact CE1-CG 4.37Å; Y176-R180 HydrophobicContact CE2-CG 4.46Å; Y176-R180 WeakPolarHBondContact O-CG 3.21Å; Y176-R180 PolarHBondContact O-N 3.34Å; Y176-R180 PolarHBondContact OH-NE 3.06Å; Y176-R180 PolarHBondContact OH-NH2 2.96Å; A177-R180 PolarHBondContact O-N 3.49Å; A177-R180 VanDerWaalsContact O-N 3.14Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.89Å; R180-Q183 PolarHBondContact O-NE2 2.57Å
181F92.8Very high96Very high116 Ų11662.6 Ų62.651%0.50929%0.294SS..Hα-helixtrans-78.3-44.1-176.1-76.2-66.7000112.9A177 F178 Y220 F223A177-F181 HydrophobicContact CB-CD2 4.44Å; A177-F181 WeakPolarHBondContact O-CD2 3.43Å; A177-F181 PolarHBondContact O-N 2.99Å; F178-F181 PolarHBondContact O-N 3.31Å; F181-Y220 HydrophobicContact CB-CD2 4.18Å; F181-Y220 HydrophobicContact CB-CE1 4.18Å; F181-Y220 HydrophobicContact CB-CE2 3.56Å; F181-Y220 AromaticContact CD1-CD2 3.95Å; F181-Y220 HydrophobicContact CD1-CD2 3.95Å; F181-Y220 HydrophobicContact CD1-CE2 4.2Å; F181-Y220 HydrophobicContact CD1-CG 4.28Å; F181-Y220 AromaticContact CD2-CD2 3.87Å; F181-Y220 HydrophobicContact CD2-CD2 3.87Å; F181-Y220 AromaticContact CD2-CE2 3.66Å; F181-Y220 HydrophobicContact CD2-CE2 3.66Å; F181-Y220 HydrophobicContact CE1-CD2 4.29Å; F181-Y220 HydrophobicContact CE2-CD2 4.23Å; F181-Y220 HydrophobicContact CE2-CE2 4.42Å; F181-Y220 AromaticContact CG-CD2 3.74Å; F181-Y220 HydrophobicContact CG-CD2 3.74Å; F181-Y220 AromaticContact CG-CE2 3.55Å; F181-Y220 HydrophobicContact CG-CE2 3.55Å; F181-Y220 HydrophobicContact CG-CG 4.43Å; F181-Y220 HydrophobicContact CZ-CD2 4.43Å; F181-F223 HydrophobicContact CE2-CD1 4.41Å; F181-F223 HydrophobicContact CE2-CE1 4.42Å
182E92.4Very high96.2Very high5 Ų561.4 Ų61.42%0.02329%0.289CS..Hα-helixtrans-93.2-9.9-175.3-63.9-66.816000113.4F178 W184 A207 L208 K210 Y220F178-E182 WeakPolarHBondContact O-CB 3.29Å; F178-E182 PolarHBondContact O-N 3.28Å; E182-W184 HydrophobicContact CB-CD2 3.44Å; E182-W184 VanDerWaalsContact CB-CD2 3.44Å; E182-W184 VanDerWaalsContact CB-CE2 3.47Å; E182-W184 HydrophobicContact CB-CE3 3.82Å; E182-W184 HydrophobicContact CB-CG 3.86Å; E182-W184 HydrophobicContact CB-CH2 4.23Å; E182-W184 HydrophobicContact CB-CZ2 3.89Å; E182-W184 HydrophobicContact CB-CZ3 4.2Å; E182-W184 HydrophobicContact CG-CD2 4.11Å; E182-W184 HydrophobicContact CG-CE3 4.1Å; E182-W184 HydrophobicContact CG-CH2 3.82Å; E182-W184 HydrophobicContact CG-CZ2 3.81Å; E182-W184 HydrophobicContact CG-CZ3 3.96Å; E182-W184 PolarHBondContact O-N 3.04Å; E182-A207 WeakPolarHBondContact OE1-CA 3.4Å; E182-L208 PolarHBondContact OE1-N 3.5Å; E182-K210 PolarHBondContact O-NZ 3.5Å; E182-Y220 VanDerWaalsContact CG-OH 3.31Å; E182-Y220 WeakPolarHBondContact CG-OH 3.09Å; E182-Y220 VanDerWaalsContact OE1-CE1 3.28Å; E182-Y220 WeakPolarHBondContact OE1-CE1 3.46Å; E182-Y220 PolarHBondContact OE1-OH 2.97Å
183Q93.7Very high96.2Very high150 Ų15059.7 Ų59.770%0.70128%0.275SS*.  trans5836-176-54.8-69.3-46.500112.3H179 R180H179-Q183 VanDerWaalsContact O-CA 3.3Å; H179-Q183 WeakPolarHBondContact O-CA 3.35Å; H179-Q183 PolarHBondContact O-N 2.97Å; H179-Q183 VanDerWaalsContact O-N 3.13Å; R180-Q183 PolarHBondContact O-NE2 2.57Å
184W95.4Very high96.2Very high31 Ų3162 Ų6212%0.11728%0.277CS..  trans-86.3165.5171-62.1-31.1000110.7F178 H179 E182 D188 Y192 Y205F178-W184 HydrophobicContact CB-CE3 4.48Å; F178-W184 HydrophobicContact CB-CZ3 4.49Å; H179-W184 PolarHBondContact CE1-O 3.15Å; H179-W184 PolarHBondContact ND1-O 3.34Å; E182-W184 HydrophobicContact CB-CD2 3.44Å; E182-W184 VanDerWaalsContact CB-CD2 3.44Å; E182-W184 VanDerWaalsContact CB-CE2 3.47Å; E182-W184 HydrophobicContact CB-CE3 3.82Å; E182-W184 HydrophobicContact CB-CG 3.86Å; E182-W184 HydrophobicContact CB-CH2 4.23Å; E182-W184 HydrophobicContact CB-CZ2 3.89Å; E182-W184 HydrophobicContact CB-CZ3 4.2Å; E182-W184 HydrophobicContact CG-CD2 4.11Å; E182-W184 HydrophobicContact CG-CE3 4.1Å; E182-W184 HydrophobicContact CG-CH2 3.82Å; E182-W184 HydrophobicContact CG-CZ2 3.81Å; E182-W184 HydrophobicContact CG-CZ3 3.96Å; E182-W184 PolarHBondContact O-N 3.04Å; W184-D188 HydrophobicContact CB-CB 4.23Å; W184-Y192 HydrophobicContact CH2-CD2 4.4Å; W184-Y192 HydrophobicContact CH2-CG 4.35Å; W184-Y192 AromaticContact CZ3-CD1 3.82Å; W184-Y192 HydrophobicContact CZ3-CD1 3.82Å; W184-Y192 HydrophobicContact CZ3-CD2 4.23Å; W184-Y192 HydrophobicContact CZ3-CE1 4.35Å; W184-Y192 AromaticContact CZ3-CG 3.74Å; W184-Y192 HydrophobicContact CZ3-CG 3.74Å; W184-Y205 AromaticContact CD2-CD1 3.72Å; W184-Y205 HydrophobicContact CD2-CD1 3.72Å; W184-Y205 HydrophobicContact CD2-CE1 4.25Å; W184-Y205 AromaticContact CE2-CD1 3.69Å; W184-Y205 HydrophobicContact CE3-CD1 4.04Å; W184-Y205 HydrophobicContact CG-CD1 4.12Å; W184-Y205 HydrophobicContact CG-CE1 4.16Å; W184-Y205 HydrophobicContact CH2-CD1 4.29Å; W184-Y205 HydrophobicContact CZ2-CD1 4.01Å; W184-Y205 HydrophobicContact CZ3-CD1 4.31Å
185E97.1Very high96.3Very high136 Ų13662.5 Ų62.564%0.63628%0.279SS*.  trans-64.2154.5167.1-62.9-164.4161.600110.7L187 D188 S189E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.85Å; E185-D188 HydrophobicContact CB-CB 4.43Å; E185-D188 PolarHBondContact O-N 2.81Å; E185-S189 WeakPolarHBondContact O-CB 3.39Å; E185-S189 PolarHBondContact O-N 3.48Å; E185-S189 PolarHBondContact O-OG 2.96Å
186Y97.3Very high96.3Very high100 Ų10062.5 Ų62.539%0.39228%0.279SS..Hα-helixtrans-62.9-36.6-179.3179.9-96.7000111.6A172 A175 H179 S189 L190A172-Y186 PolarHBondContact O-OH 3.43Å; A175-Y186 HydrophobicContact CB-CD2 4.29Å; A175-Y186 HydrophobicContact CB-CE2 3.73Å; H179-Y186 HydrophobicContact CB-CD2 4.48Å; Y186-S189 PolarHBondContact O-N 3.45Å; Y186-L190 WeakPolarHBondContact O-CB 3.43Å; Y186-L190 PolarHBondContact O-N 3.34Å
187L97.4Very high96.2Very high121 Ų12156.8 Ų56.863%0.63426%0.257SS*.Hα-helixtrans-64-46.4176.8-176.663000111.4E185 S189 L190 Y191E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.85Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.36Å; L187-L190 WeakPolarHBondContact O-CB 3.48Å; L187-L190 PolarHBondContact O-N 2.95Å; L187-L190 VanDerWaalsContact O-N 3.14Å; L187-Y191 WeakPolarHBondContact O-CB 3.13Å; L187-Y191 PolarHBondContact O-N 2.93Å
188D97.3Very high96.1Very high40 Ų4058.3 Ų58.321%0.21427%0.265CS..Hα-helixtrans-59.9-39.9174.8-67.5-2.1000111.9W184 E185 L190 Y191 Y192 Y205W184-D188 HydrophobicContact CB-CB 4.23Å; E185-D188 HydrophobicContact CB-CB 4.43Å; E185-D188 PolarHBondContact O-N 2.81Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-Y191 PolarHBondContact O-N 3.35Å; D188-Y192 WeakPolarHBondContact O-CB 3.39Å; D188-Y192 PolarHBondContact O-N 3.13Å; D188-Y205 HydrophobicContact CB-CD1 4.34Å; D188-Y205 HydrophobicContact CB-CE1 3.65Å; D188-Y205 PolarHBondContact OD2-OH 2.95Å
189S97.5Very high96.1Very high0 Ų060.9 Ų60.90%028%0.28CS..Hα-helixtrans-66.6-38176.9-55.30000111.7A175 H179 E185 Y186 L187 C193A175-S189 WeakPolarHBondContact O-CB 3.33Å; H179-S189 VanDerWaalsContact CA-OG 3.3Å; H179-S189 WeakPolarHBondContact CA-OG 3.48Å; H179-S189 PolarHBondContact N-OG 2.84Å; E185-S189 WeakPolarHBondContact O-CB 3.39Å; E185-S189 PolarHBondContact O-N 3.48Å; E185-S189 PolarHBondContact O-OG 2.96Å; Y186-S189 PolarHBondContact O-N 3.45Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.36Å; S189-C193 PolarHBondContact O-N 3.48Å; S189-C193 PolarHBondContact O-SG 3.46Å
190L97.6Very high96.2Very high59 Ų5961.8 Ų61.831%0.30929%0.287SS..Hα-helixtrans-67.1-44.3174.6-173.971.6000111.2M171 A175 Y186 L187 D188 C193 F194M171-L190 HydrophobicContact CG-CD1 3.7Å; A175-L190 HydrophobicContact CB-CB 3.95Å; A175-L190 HydrophobicContact CB-CD1 3.94Å; Y186-L190 WeakPolarHBondContact O-CB 3.43Å; Y186-L190 PolarHBondContact O-N 3.34Å; L187-L190 WeakPolarHBondContact O-CB 3.48Å; L187-L190 PolarHBondContact O-N 2.95Å; L187-L190 VanDerWaalsContact O-N 3.14Å; D188-L190 VanDerWaalsContact C-N 3.34Å; L190-C193 PolarHBondContact O-N 3.43Å; L190-F194 WeakPolarHBondContact O-CB 3.47Å; L190-F194 PolarHBondContact O-N 2.86Å
191Y97.6Very high96.2Very high80 Ų8055 Ų5531%0.31426%0.262SS..Hα-helixtrans-58.6-48.8174.1166.3-98.6000111.3L187 D188 C193 F194 I195 F202 D204 Y205L187-Y191 WeakPolarHBondContact O-CB 3.13Å; L187-Y191 PolarHBondContact O-N 2.93Å; D188-Y191 PolarHBondContact O-N 3.35Å; Y191-C193 PolarHBondContact O-N 3Å; Y191-F194 PolarHBondContact O-N 3.21Å; Y191-F194 VanDerWaalsContact O-N 3.15Å; Y191-I195 HydrophobicContact CD2-CG1 3.85Å; Y191-I195 HydrophobicContact CE1-CG1 4.28Å; Y191-I195 HydrophobicContact CE2-CD1 3.99Å; Y191-I195 HydrophobicContact CE2-CG1 3.48Å; Y191-I195 VanDerWaalsContact CE2-CG1 3.48Å; Y191-I195 HydrophobicContact CG-CG1 4.4Å; Y191-I195 WeakPolarHBondContact O-CB 3.48Å; Y191-I195 WeakPolarHBondContact O-CG1 3.47Å; Y191-I195 PolarHBondContact O-N 3.06Å; Y191-F202 WeakPolarHBondContact OH-CD2 3.5Å; Y191-D204 WeakPolarHBondContact CE1-OD2 2.98Å; Y191-D204 VanDerWaalsContact CZ-OD2 3.26Å; Y191-D204 PolarHBondContact OH-OD2 3.41Å; Y191-Y205 HydrophobicContact CD1-CD2 4.08Å; Y191-Y205 HydrophobicContact CD1-CE2 4.45Å; Y191-Y205 AromaticContact CE1-CD2 3.95Å; Y191-Y205 HydrophobicContact CE1-CD2 3.95Å; Y191-Y205 HydrophobicContact CE1-CE2 4.42Å
192Y97.5Very high96.4Very high3 Ų355.8 Ų55.81%0.01227%0.266CS..Hα-helixtrans-54.8-49.1174.2163.9-106000111.8Y96 F178 W184 D188 F194 T196 Y205 A207Y96-Y192 HydrophobicContact CE1-CE2 4.11Å; Y96-Y192 PolarHBondContact OH-OH 3.35Å; F178-Y192 HydrophobicContact CD1-CD1 4.49Å; F178-Y192 AromaticContact CD1-CE1 3.91Å; F178-Y192 HydrophobicContact CD1-CE1 3.91Å; F178-Y192 AromaticContact CD2-CD1 3.98Å; F178-Y192 HydrophobicContact CD2-CD1 3.98Å; F178-Y192 AromaticContact CD2-CE1 3.74Å; F178-Y192 HydrophobicContact CD2-CE1 3.74Å; F178-Y192 AromaticContact CE1-CE1 3.86Å; F178-Y192 HydrophobicContact CE1-CE1 3.86Å; F178-Y192 HydrophobicContact CE2-CD1 4.35Å; F178-Y192 AromaticContact CE2-CE1 3.71Å; F178-Y192 HydrophobicContact CE2-CE1 3.71Å; F178-Y192 HydrophobicContact CG-CD1 4.08Å; F178-Y192 AromaticContact CG-CE1 3.86Å; F178-Y192 HydrophobicContact CG-CE1 3.86Å; F178-Y192 AromaticContact CZ-CE1 3.77Å; F178-Y192 HydrophobicContact CZ-CE1 3.77Å; W184-Y192 HydrophobicContact CH2-CD2 4.4Å; W184-Y192 HydrophobicContact CH2-CG 4.35Å; W184-Y192 AromaticContact CZ3-CD1 3.82Å; W184-Y192 HydrophobicContact CZ3-CD1 3.82Å; W184-Y192 HydrophobicContact CZ3-CD2 4.23Å; W184-Y192 HydrophobicContact CZ3-CE1 4.35Å; W184-Y192 AromaticContact CZ3-CG 3.74Å; W184-Y192 HydrophobicContact CZ3-CG 3.74Å; D188-Y192 WeakPolarHBondContact O-CB 3.39Å; D188-Y192 PolarHBondContact O-N 3.13Å; Y192-F194 VanDerWaalsContact C-N 3.32Å; Y192-F194 PolarHBondContact O-N 2.83Å; Y192-T196 VanDerWaalsContact CE2-OG1 3.29Å; Y192-T196 WeakPolarHBondContact CE2-OG1 3.5Å; Y192-T196 WeakPolarHBondContact O-CB 3.29Å; Y192-T196 PolarHBondContact O-N 3.43Å; Y192-T196 PolarHBondContact O-OG1 2.82Å; Y192-Y205 VanDerWaalsContact CD2-O 3.24Å; Y192-Y205 WeakPolarHBondContact CD2-O 3.32Å; Y192-A207 HydrophobicContact CE1-CB 4.26Å; Y192-A207 VanDerWaalsContact OH-CB 3.32Å; Y192-A207 WeakPolarHBondContact OH-CB 3.25Å
193C97.3Very high96.5Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-62.9-40.9179.3-65.20000111.2M171 F178 S189 L190 Y191 T196 L197 F227M171-C193 HydrophobicContact CG-CB 4.27Å; M171-C193 HydrophobicContact SD-CB 3.21Å; M171-C193 WeakPolarHBondContact SD-CB 3.26Å; F178-C193 VanDerWaalsContact CD2-SG 3.51Å; S189-C193 PolarHBondContact O-N 3.48Å; S189-C193 PolarHBondContact O-SG 3.46Å; L190-C193 PolarHBondContact O-N 3.43Å; Y191-C193 PolarHBondContact O-N 3Å; C193-T196 PolarHBondContact O-N 2.72Å; C193-L197 WeakPolarHBondContact O-CB 3.23Å; C193-L197 VanDerWaalsContact O-CG 3.28Å; C193-L197 WeakPolarHBondContact O-CG 3.41Å; C193-L197 PolarHBondContact O-N 3.31Å; C193-F227 HydrophobicContact CB-CE1 4.43Å; C193-F227 HydrophobicContact CB-CZ 4.27Å
194F96.6Very high96.5Very high110 Ų11053.7 Ų53.748%0.48227%0.265SS..Hα-helixtrans-64.6-52.8179.6-176.5-93.1000111.9M171 L190 Y191 Y192 T196 L197 T198M171-F194 HydrophobicContact CE-CB 4.45Å; M171-F194 HydrophobicContact CE-CD2 4.36Å; M171-F194 HydrophobicContact SD-CB 4.36Å; M171-F194 PolarHBondContact SD-N 2.9Å; M171-F194 VanDerWaalsContact SD-N 3.37Å; L190-F194 WeakPolarHBondContact O-CB 3.47Å; L190-F194 PolarHBondContact O-N 2.86Å; Y191-F194 PolarHBondContact O-N 3.21Å; Y191-F194 VanDerWaalsContact O-N 3.15Å; Y192-F194 VanDerWaalsContact C-N 3.32Å; Y192-F194 PolarHBondContact O-N 2.83Å; F194-T196 VanDerWaalsContact C-N 3.26Å; F194-T196 PolarHBondContact O-N 2.86Å; F194-L197 PolarHBondContact O-N 2.72Å; F194-T198 HydrophobicContact CD1-CG2 4.37Å; F194-T198 HydrophobicContact CD2-CG2 4.45Å; F194-T198 HydrophobicContact CE1-CG2 4.07Å; F194-T198 HydrophobicContact CE2-CG2 4.16Å; F194-T198 HydrophobicContact CZ-CG2 3.96Å; F194-T198 WeakPolarHBondContact O-CB 3.33Å; F194-T198 VanDerWaalsContact O-CG2 3.31Å; F194-T198 WeakPolarHBondContact O-CG2 3.33Å; F194-T198 PolarHBondContact O-N 3.44Å; F194-T198 PolarHBondContact O-OG1 2.9Å
195I97.1Very high96.5Very high11 Ų1155.3 Ų55.36%0.05627%0.272CS..Hα-helixtrans-62.8-33.5179-66.5-56.1000111.8Y191 T198 I200 G201 F202Y191-I195 HydrophobicContact CD2-CG1 3.85Å; Y191-I195 HydrophobicContact CE1-CG1 4.28Å; Y191-I195 HydrophobicContact CE2-CD1 3.99Å; Y191-I195 HydrophobicContact CE2-CG1 3.48Å; Y191-I195 VanDerWaalsContact CE2-CG1 3.48Å; Y191-I195 HydrophobicContact CG-CG1 4.4Å; Y191-I195 WeakPolarHBondContact O-CB 3.48Å; Y191-I195 WeakPolarHBondContact O-CG1 3.47Å; Y191-I195 PolarHBondContact O-N 3.06Å; I195-T198 WeakPolarHBondContact CA-OG1 3.43Å; I195-T198 PolarHBondContact O-OG1 3.15Å; I195-I200 HydrophobicContact CD1-CB 4.36Å; I195-I200 HydrophobicContact CD1-CD1 3.88Å; I195-I200 HydrophobicContact CD1-CG2 4.34Å; I195-I200 HydrophobicContact CG2-CB 4.04Å; I195-I200 HydrophobicContact CG2-CG2 4.16Å; I195-I200 PolarHBondContact O-N 3.13Å; I195-G201 PolarHBondContact O-N 3.3Å; I195-F202 HydrophobicContact CD1-CD2 3.96Å; I195-F202 HydrophobicContact CD1-CE2 3.66Å; I195-F202 HydrophobicContact CG1-CD2 4.14Å; I195-F202 HydrophobicContact CG1-CE2 4.33Å; I195-F202 HydrophobicContact CG2-CB 4.39Å; I195-F202 HydrophobicContact CG2-CD2 3.74Å; I195-F202 HydrophobicContact CG2-CE2 4.44Å; I195-F202 HydrophobicContact CG2-CG 4.28Å
196T97.1Very high96.3Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-69.2-52.8175.2-65.70000112I94 Y96 Y192 C193 F194 T198 T199 I228I94-T196 HydrophobicContact CD1-CG2 4.11Å; Y96-T196 WeakPolarHBondContact OH-CB 3.34Å; Y96-T196 WeakPolarHBondContact OH-CG2 3.34Å; Y96-T196 PolarHBondContact OH-OG1 2.91Å; Y192-T196 VanDerWaalsContact CE2-OG1 3.29Å; Y192-T196 WeakPolarHBondContact CE2-OG1 3.5Å; Y192-T196 WeakPolarHBondContact O-CB 3.29Å; Y192-T196 PolarHBondContact O-N 3.43Å; Y192-T196 PolarHBondContact O-OG1 2.82Å; C193-T196 PolarHBondContact O-N 2.72Å; F194-T196 VanDerWaalsContact C-N 3.26Å; F194-T196 PolarHBondContact O-N 2.86Å; T196-T198 VanDerWaalsContact C-N 3.3Å; T196-T198 PolarHBondContact O-N 3.5Å; T196-T199 PolarHBondContact O-N 3.04Å; T196-I228 HydrophobicContact CG2-CD1 4.4Å; T196-I228 HydrophobicContact CG2-CG1 3.95Å
197L95.6Very high96.1Very high4 Ų444.5 Ų44.52%0.02123%0.225CC..Hα-helixtrans-77.2-16.5-174-63.9-174.4000113.4M171 C193 F194 T199 F227 L232 V235M171-L197 HydrophobicContact CE-CB 4.08Å; M171-L197 HydrophobicContact CE-CD1 3.72Å; M171-L197 HydrophobicContact CE-CG 4.34Å; M171-L197 HydrophobicContact SD-CD1 4.02Å; C193-L197 WeakPolarHBondContact O-CB 3.23Å; C193-L197 VanDerWaalsContact O-CG 3.28Å; C193-L197 WeakPolarHBondContact O-CG 3.41Å; C193-L197 PolarHBondContact O-N 3.31Å; F194-L197 PolarHBondContact O-N 2.72Å; L197-T199 VanDerWaalsContact C-N 3.28Å; L197-F227 HydrophobicContact CD1-CE1 4.24Å; L197-F227 HydrophobicContact CD1-CZ 4.03Å; L197-F227 HydrophobicContact CD2-CE1 4.35Å; L197-F227 HydrophobicContact CG-CE1 4.4Å; L197-L232 HydrophobicContact CD2-CG 4.35Å; L197-L232 WeakPolarHBondContact O-CD2 3.38Å; L197-V235 HydrophobicContact CB-CG2 4.16Å
198T94.2Very high95.8Very high48 Ų4838.8 Ų38.829%0.29420%0.195SC..THydrogen-bonded Turntrans-86.31.9167.754.20000113F194 I195 T196 I200F194-T198 HydrophobicContact CD1-CG2 4.37Å; F194-T198 HydrophobicContact CD2-CG2 4.45Å; F194-T198 HydrophobicContact CE1-CG2 4.07Å; F194-T198 HydrophobicContact CE2-CG2 4.16Å; F194-T198 HydrophobicContact CZ-CG2 3.96Å; F194-T198 WeakPolarHBondContact O-CB 3.33Å; F194-T198 VanDerWaalsContact O-CG2 3.31Å; F194-T198 WeakPolarHBondContact O-CG2 3.33Å; F194-T198 PolarHBondContact O-N 3.44Å; F194-T198 PolarHBondContact O-OG1 2.9Å; I195-T198 WeakPolarHBondContact CA-OG1 3.43Å; I195-T198 PolarHBondContact O-OG1 3.15Å; T196-T198 VanDerWaalsContact C-N 3.3Å; T196-T198 PolarHBondContact O-N 3.5Å; T198-I200 PolarHBondContact O-N 3.04Å; T198-I200 WeakPolarHBondContact OG1-CD1 3.26Å
199T96Very high95.3Very high53 Ų5338.6 Ų38.633%0.32519%0.193SC..THydrogen-bonded Turntrans59.222.6-179.166.70000114.4T92 I94 T196 L197 L232T92-T199 VanDerWaalsContact O-CG2 3.29Å; T92-T199 WeakPolarHBondContact O-CG2 3.47Å; I94-T199 HydrophobicContact CG1-CG2 4.22Å; T196-T199 PolarHBondContact O-N 3.04Å; L197-T199 VanDerWaalsContact C-N 3.28Å; T199-L232 HydrophobicContact CG2-CD2 3.51Å
200I97Very high94.6Very high84 Ų8443 Ų4343%0.43121%0.212SC..  trans-75.3-49.1174-64.3171.4000109.7I195 T198 F202I195-I200 HydrophobicContact CD1-CB 4.36Å; I195-I200 HydrophobicContact CD1-CD1 3.88Å; I195-I200 HydrophobicContact CD1-CG2 4.34Å; I195-I200 HydrophobicContact CG2-CB 4.04Å; I195-I200 HydrophobicContact CG2-CG2 4.16Å; I195-I200 PolarHBondContact O-N 3.13Å; T198-I200 PolarHBondContact O-N 3.04Å; T198-I200 WeakPolarHBondContact OG1-CD1 3.26Å; I200-F202 HydrophobicContact CG2-CD1 3.91Å; I200-F202 HydrophobicContact CG2-CD2 3.92Å; I200-F202 HydrophobicContact CG2-CE1 3.57Å; I200-F202 HydrophobicContact CG2-CE2 3.6Å; I200-F202 HydrophobicContact CG2-CG 4.08Å; I200-F202 HydrophobicContact CG2-CZ 3.41Å; I200-F202 VanDerWaalsContact CG2-CZ 3.41Å; I200-F202 PolarHBondContact O-N 2.89Å
201G96.1Very high93.7Very high4 Ų446.8 Ų46.84%0.04123%0.233CC..  trans53.555170.900000116.1I94 Y96 I195 G203I94-G201 WeakPolarHBondContact O-CA 3.46Å; Y96-G201 VanDerWaalsContact CA-O 3.32Å; Y96-G201 WeakPolarHBondContact CA-O 3.32Å; I195-G201 PolarHBondContact O-N 3.3Å; G201-G203 PolarHBondContact O-N 3.39Å
202F95.9Very high92.8Very high132 Ų13243.4 Ų43.458%0.57922%0.223SC*.  trans-56.1-34.4178.6-66.8-55.2000114.3Y191 I195 I200Y191-F202 WeakPolarHBondContact OH-CD2 3.5Å; I195-F202 HydrophobicContact CD1-CD2 3.96Å; I195-F202 HydrophobicContact CD1-CE2 3.66Å; I195-F202 HydrophobicContact CG1-CD2 4.14Å; I195-F202 HydrophobicContact CG1-CE2 4.33Å; I195-F202 HydrophobicContact CG2-CB 4.39Å; I195-F202 HydrophobicContact CG2-CD2 3.74Å; I195-F202 HydrophobicContact CG2-CE2 4.44Å; I195-F202 HydrophobicContact CG2-CG 4.28Å; I200-F202 HydrophobicContact CG2-CD1 3.91Å; I200-F202 HydrophobicContact CG2-CD2 3.92Å; I200-F202 HydrophobicContact CG2-CE1 3.57Å; I200-F202 HydrophobicContact CG2-CE2 3.6Å; I200-F202 HydrophobicContact CG2-CG 4.08Å; I200-F202 HydrophobicContact CG2-CZ 3.41Å; I200-F202 VanDerWaalsContact CG2-CZ 3.41Å; I200-F202 PolarHBondContact O-N 2.89Å
203G94.2Very high92.2Very high23 Ų2343.6 Ų43.624%0.23723%0.225CC..SBendtrans83.98.5176.800000115.5Y96 G201 V206Y96-G203 VanDerWaalsContact O-CA 3.28Å; Y96-G203 WeakPolarHBondContact O-CA 3.35Å; G201-G203 PolarHBondContact O-N 3.39Å; G203-V206 WeakPolarHBondContact O-CG2 3.15Å
204D94Very high91.5Very high88 Ų8843.9 Ų43.947%0.47123%0.227SC..SBendtrans-62.9-41.2166.152.3-10.9000112.1Y191Y191-D204 WeakPolarHBondContact CE1-OD2 2.98Å; Y191-D204 VanDerWaalsContact CZ-OD2 3.26Å; Y191-D204 PolarHBondContact OH-OD2 3.41Å
205Y95.1Very high90.8Very high65 Ų6542.3 Ų42.326%0.25522%0.221SC..SBendtrans-115.1125.8168.3-70.1-99.2000110.1W184 D188 Y191 Y192W184-Y205 AromaticContact CD2-CD1 3.72Å; W184-Y205 HydrophobicContact CD2-CD1 3.72Å; W184-Y205 HydrophobicContact CD2-CE1 4.25Å; W184-Y205 AromaticContact CE2-CD1 3.69Å; W184-Y205 HydrophobicContact CE3-CD1 4.04Å; W184-Y205 HydrophobicContact CG-CD1 4.12Å; W184-Y205 HydrophobicContact CG-CE1 4.16Å; W184-Y205 HydrophobicContact CH2-CD1 4.29Å; W184-Y205 HydrophobicContact CZ2-CD1 4.01Å; W184-Y205 HydrophobicContact CZ3-CD1 4.31Å; D188-Y205 HydrophobicContact CB-CD1 4.34Å; D188-Y205 HydrophobicContact CB-CE1 3.65Å; D188-Y205 PolarHBondContact OD2-OH 2.95Å; Y191-Y205 HydrophobicContact CD1-CD2 4.08Å; Y191-Y205 HydrophobicContact CD1-CE2 4.45Å; Y191-Y205 AromaticContact CE1-CD2 3.95Å; Y191-Y205 HydrophobicContact CE1-CD2 3.95Å; Y191-Y205 HydrophobicContact CE1-CE2 4.42Å; Y192-Y205 VanDerWaalsContact CD2-O 3.24Å; Y192-Y205 WeakPolarHBondContact CD2-O 3.32Å
206V94.1Very high90.3Very high10 Ų1048.2 Ų48.26%0.06125%0.248CC..  trans-140.2123178.1-173.90000109Y85 Y96 H98 G203 Q209Y85-V206 HydrophobicContact CE1-CG1 4.13Å; Y96-V206 HydrophobicContact CD1-CG2 4.1Å; Y96-V206 HydrophobicContact CD2-CG1 4.15Å; Y96-V206 HydrophobicContact CE2-CG1 4.5Å; Y96-V206 HydrophobicContact CG-CG1 4.37Å; Y96-V206 HydrophobicContact CG-CG2 4Å; H98-V206 HydrophobicContact CB-CG2 4.2Å; G203-V206 WeakPolarHBondContact O-CG2 3.15Å; V206-Q209 HydrophobicContact CB-CG 3.83Å; V206-Q209 HydrophobicContact CG1-CG 3.89Å; V206-Q209 WeakPolarHBondContact O-CG 3.28Å
207A92.9Very high89.9Confident0 Ų052.3 Ų52.30%027%0.27CS..THydrogen-bonded Turntrans-66.1160.6176.100000111.3F178 E182 Y192 Q209F178-A207 HydrophobicContact CD1-CB 3.95Å; F178-A207 HydrophobicContact CE1-CB 3.62Å; E182-A207 WeakPolarHBondContact OE1-CA 3.4Å; Y192-A207 HydrophobicContact CE1-CB 4.26Å; Y192-A207 VanDerWaalsContact OH-CB 3.32Å; Y192-A207 WeakPolarHBondContact OH-CB 3.25Å; A207-Q209 PolarHBondContact O-N 2.88Å
208L90.3Very high89.6Confident0 Ų056.4 Ų56.40%030%0.297CS..THydrogen-bonded Turntrans70.49.7176.1-46.1164.9000114.4Y85 E182 L214 Y220 V221Y85-L208 HydrophobicContact CD2-CD1 4.09Å; Y85-L208 HydrophobicContact CE2-CD1 4.07Å; E182-L208 PolarHBondContact OE1-N 3.5Å; L208-L214 HydrophobicContact CB-CD1 3.46Å; L208-L214 VanDerWaalsContact CB-CD1 3.46Å; L208-L214 WeakPolarHBondContact O-CD1 3.29Å; L208-Y220 HydrophobicContact CD2-CD1 3.3Å; L208-Y220 HydrophobicContact CD2-CD2 4.47Å; L208-Y220 HydrophobicContact CD2-CE1 3.39Å; L208-Y220 HydrophobicContact CD2-CG 3.87Å; L208-Y220 HydrophobicContact CG-CE1 4.27Å; L208-V221 HydrophobicContact CD1-CG1 4.43Å; L208-V221 HydrophobicContact CD1-CG2 4.32Å; L208-V221 HydrophobicContact CD2-CB 4.41Å; L208-V221 HydrophobicContact CD2-CG2 3.91Å
209Q87.2Confident89.5Confident36 Ų3663 Ų6317%0.16832%0.321CS..  trans-88.2-17.3-179-63.8-57.8-66.400114.2A74 H98 V206 A207A74-Q209 VanDerWaalsContact CA-O 3.27Å; A74-Q209 WeakPolarHBondContact CA-O 3.44Å; A74-Q209 HydrophobicContact CB-CB 4.12Å; A74-Q209 VanDerWaalsContact CB-O 3.23Å; A74-Q209 WeakPolarHBondContact CB-O 3.5Å; H98-Q209 PolarHBondContact CD2-NE2 3.34Å; H98-Q209 VanDerWaalsContact CD2-NE2 3.3Å; V206-Q209 HydrophobicContact CB-CG 3.83Å; V206-Q209 HydrophobicContact CG1-CG 3.89Å; V206-Q209 WeakPolarHBondContact O-CG 3.28Å; A207-Q209 PolarHBondContact O-N 2.88Å
210K83.8Confident89.3Confident92 Ų9261.2 Ų61.240%0.431%0.309SS..SBendtrans-86.3144.3-179.3-66.9-177.3179.1178.20112.2E182 G212 A213E182-K210 PolarHBondContact O-NZ 3.5Å; K210-G212 PolarHBondContact O-N 2.82Å; K210-A213 VanDerWaalsContact O-CB 3.29Å; K210-A213 WeakPolarHBondContact O-CB 3.24Å; K210-A213 PolarHBondContact O-N 2.82Å
211D78.4Confident89Confident139 Ų13957.8 Ų57.874%0.74329%0.292SS*.THydrogen-bonded Turntrans53.324.4168.9-53.1-43.5000116.6A213 Q216D211-A213 VanDerWaalsContact C-N 3.28Å; D211-A213 PolarHBondContact O-N 3.38Å; D211-Q216 PolarHBondContact O-NE2 2.62Å
212G79.1Confident88.9Confident10 Ų1059.7 Ų59.710%0.10331%0.307CS..THydrogen-bonded Turntrans64.932.5-175.400000113K210 L214 Q215 Q216K210-G212 PolarHBondContact O-N 2.82Å; G212-L214 PolarHBondContact O-N 3.42Å; G212-Q215 PolarHBondContact O-N 3.09Å; G212-Q215 PolarHBondContact O-OE1 2.84Å; G212-Q215 VanDerWaalsContact O-OE1 3.07Å; G212-Q216 PolarHBondContact O-N 3.43Å
213A84Confident88.8Confident7 Ų757 Ų576%0.05830%0.295CS..Hα-helixtrans-51.5-31.418000000113.4K210 D211 Q215 N217 Y220K210-A213 VanDerWaalsContact O-CB 3.29Å; K210-A213 WeakPolarHBondContact O-CB 3.24Å; K210-A213 PolarHBondContact O-N 2.82Å; D211-A213 VanDerWaalsContact C-N 3.28Å; D211-A213 PolarHBondContact O-N 3.38Å; A213-Q215 PolarHBondContact O-N 3.46Å; A213-N217 PolarHBondContact O-N 3.4Å; A213-Y220 HydrophobicContact CB-CD1 4.33Å
214L83.5Confident88.8Confident6 Ų655.9 Ų55.93%0.03128%0.284CS..Hα-helixtrans-53-37.5174.3-98.976000113.5L208 G212L208-L214 HydrophobicContact CB-CD1 3.46Å; L208-L214 VanDerWaalsContact CB-CD1 3.46Å; L208-L214 WeakPolarHBondContact O-CD1 3.29Å; G212-L214 PolarHBondContact O-N 3.42Å
215Q82.2Confident88.8Confident77 Ų7752.5 Ų52.536%0.3627%0.266SS..Hα-helixtrans-100.7-36.4-178-56.483.820.700112Y76 G212 A213Y76-Q215 PolarHBondContact O-NE2 3.46Å; G212-Q215 PolarHBondContact O-N 3.09Å; G212-Q215 PolarHBondContact O-OE1 2.84Å; G212-Q215 VanDerWaalsContact O-OE1 3.07Å; A213-Q215 PolarHBondContact O-N 3.46Å
216Q85.8Confident88.8Confident135 Ų13555 Ų5563%0.63128%0.282SS*.Hα-helixtrans-82.5-30.6-171.6-61.9-174.727.800112.9D211 G212 P218D211-Q216 PolarHBondContact O-NE2 2.62Å; G212-Q216 PolarHBondContact O-N 3.43Å; Q216-P218 WeakPolarHBondContact O-CD 3.11Å
217N88.6Confident88.9Confident85 Ų8555.1 Ų55.146%0.45528%0.282SS..  trans-125.469.3-169.5-68-35.7000112.5A213 K219 Y220 V221A213-N217 PolarHBondContact O-N 3.4Å; N217-K219 PolarHBondContact O-N 3.46Å; N217-K219 VanDerWaalsContact O-N 3.15Å; N217-Y220 PolarHBondContact O-N 3.04Å; N217-V221 PolarHBondContact O-N 3.08Å; N217-V221 VanDerWaalsContact O-N 3.1Å
218P88.6Confident89Confident90 Ų9055.1 Ų55.158%0.58428%0.282SS*.Hα-helixtrans-60.4-29.5-178.224.4-34.6000113.4Q216 V221 A222Q216-P218 WeakPolarHBondContact O-CD 3.11Å; P218-V221 PolarHBondContact O-N 3.33Å; P218-A222 WeakPolarHBondContact O-CB 3.41Å; P218-A222 PolarHBondContact O-N 3.04Å
219K91.6Very high89.2Confident188 Ų18858.2 Ų58.282%0.81730%0.298SS*.Hα-helixtrans-63.3-41.1174.3-65.5-178.1-177.7176.80112N217 A222 F223N217-K219 PolarHBondContact O-N 3.46Å; N217-K219 VanDerWaalsContact O-N 3.15Å; K219-A222 PolarHBondContact O-N 3.37Å; K219-F223 WeakPolarHBondContact O-CB 3.37Å; K219-F223 PolarHBondContact O-N 3.39Å
220Y92.5Very high89.6Confident14 Ų1461.2 Ų61.26%0.05531%0.311CS..Hα-helixtrans-70.6-41.9178.3179.7-138.3000110.8F178 F181 E182 L208 A213 N217 A222 F223 S224F178-Y220 HydrophobicContact CD1-CE2 4.43Å; F178-Y220 WeakPolarHBondContact CD1-OH 3.32Å; F178-Y220 HydrophobicContact CE1-CE2 4.24Å; F181-Y220 HydrophobicContact CB-CD2 4.18Å; F181-Y220 HydrophobicContact CB-CE1 4.18Å; F181-Y220 HydrophobicContact CB-CE2 3.56Å; F181-Y220 AromaticContact CD1-CD2 3.95Å; F181-Y220 HydrophobicContact CD1-CD2 3.95Å; F181-Y220 HydrophobicContact CD1-CE2 4.2Å; F181-Y220 HydrophobicContact CD1-CG 4.28Å; F181-Y220 AromaticContact CD2-CD2 3.87Å; F181-Y220 HydrophobicContact CD2-CD2 3.87Å; F181-Y220 AromaticContact CD2-CE2 3.66Å; F181-Y220 HydrophobicContact CD2-CE2 3.66Å; F181-Y220 HydrophobicContact CE1-CD2 4.29Å; F181-Y220 HydrophobicContact CE2-CD2 4.23Å; F181-Y220 HydrophobicContact CE2-CE2 4.42Å; F181-Y220 AromaticContact CG-CD2 3.74Å; F181-Y220 HydrophobicContact CG-CD2 3.74Å; F181-Y220 AromaticContact CG-CE2 3.55Å; F181-Y220 HydrophobicContact CG-CE2 3.55Å; F181-Y220 HydrophobicContact CG-CG 4.43Å; F181-Y220 HydrophobicContact CZ-CD2 4.43Å; E182-Y220 VanDerWaalsContact CG-OH 3.31Å; E182-Y220 WeakPolarHBondContact CG-OH 3.09Å; E182-Y220 VanDerWaalsContact OE1-CE1 3.28Å; E182-Y220 WeakPolarHBondContact OE1-CE1 3.46Å; E182-Y220 PolarHBondContact OE1-OH 2.97Å; L208-Y220 HydrophobicContact CD2-CD1 3.3Å; L208-Y220 HydrophobicContact CD2-CD2 4.47Å; L208-Y220 HydrophobicContact CD2-CE1 3.39Å; L208-Y220 HydrophobicContact CD2-CG 3.87Å; L208-Y220 HydrophobicContact CG-CE1 4.27Å; A213-Y220 HydrophobicContact CB-CD1 4.33Å; N217-Y220 PolarHBondContact O-N 3.04Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 2.99Å; Y220-F223 HydrophobicContact CD2-CD1 4.09Å; Y220-F223 HydrophobicContact CE2-CD1 4.15Å; Y220-F223 WeakPolarHBondContact O-CB 3.32Å; Y220-F223 PolarHBondContact O-N 3.09Å; Y220-S224 WeakPolarHBondContact CE2-OG 3.41Å; Y220-S224 PolarHBondContact O-N 3.16Å; Y220-S224 PolarHBondContact O-OG 2.78Å; Y220-S224 VanDerWaalsContact O-OG 3.09Å
221V92Very high90.1Very high12 Ų1256.9 Ų56.97%0.07329%0.292CS..Hα-helixtrans-54.7-48.5172.3177.60000111.2L208 N217 P218 S224 L225L208-V221 HydrophobicContact CD1-CG1 4.43Å; L208-V221 HydrophobicContact CD1-CG2 4.32Å; L208-V221 HydrophobicContact CD2-CB 4.41Å; L208-V221 HydrophobicContact CD2-CG2 3.91Å; N217-V221 PolarHBondContact O-N 3.08Å; N217-V221 VanDerWaalsContact O-N 3.1Å; P218-V221 PolarHBondContact O-N 3.33Å; V221-S224 PolarHBondContact O-N 3.37Å; V221-L225 HydrophobicContact CG1-CD1 3.85Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 3.49Å
222A93Very high90.9Very high44 Ų4450.7 Ų50.736%0.36426%0.259SS..Hα-helixtrans-62.2-44.5177.900000112.1P218 K219 Y220 S224 L225 I226P218-A222 WeakPolarHBondContact O-CB 3.41Å; P218-A222 PolarHBondContact O-N 3.04Å; K219-A222 PolarHBondContact O-N 3.37Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 2.99Å; A222-S224 PolarHBondContact O-N 3.18Å; A222-L225 PolarHBondContact O-N 3.5Å; A222-I226 WeakPolarHBondContact O-CB 3.42Å; A222-I226 WeakPolarHBondContact O-CD1 3.49Å; A222-I226 VanDerWaalsContact O-CG1 3.23Å; A222-I226 WeakPolarHBondContact O-CG1 3.23Å; A222-I226 PolarHBondContact O-N 3.05Å
223F94.4Very high91.6Very high75 Ų7550.8 Ų50.833%0.32926%0.257SS..Hα-helixtrans-56.7-50.1175168.4-96.2000111.8A177 F178 F181 K219 Y220 L225 I226 F227A177-F223 HydrophobicContact CB-CE1 3.78Å; A177-F223 HydrophobicContact CB-CE2 4.45Å; A177-F223 HydrophobicContact CB-CZ 3.42Å; A177-F223 VanDerWaalsContact CB-CZ 3.42Å; F178-F223 HydrophobicContact CZ-CE1 4.27Å; F181-F223 HydrophobicContact CE2-CD1 4.41Å; F181-F223 HydrophobicContact CE2-CE1 4.42Å; K219-F223 WeakPolarHBondContact O-CB 3.37Å; K219-F223 PolarHBondContact O-N 3.39Å; Y220-F223 HydrophobicContact CD2-CD1 4.09Å; Y220-F223 HydrophobicContact CE2-CD1 4.15Å; Y220-F223 WeakPolarHBondContact O-CB 3.32Å; Y220-F223 PolarHBondContact O-N 3.09Å; F223-L225 PolarHBondContact O-N 3.29Å; F223-I226 PolarHBondContact O-N 3.48Å; F223-F227 VanDerWaalsContact O-CB 3.32Å; F223-F227 WeakPolarHBondContact O-CB 3.46Å; F223-F227 PolarHBondContact O-N 3.04Å
224S94.1Very high92.1Very high0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-61.5-42.3-179.3-56.10000112.1Y220 V221 A222 F227 I228Y220-S224 WeakPolarHBondContact CE2-OG 3.41Å; Y220-S224 PolarHBondContact O-N 3.16Å; Y220-S224 PolarHBondContact O-OG 2.78Å; Y220-S224 VanDerWaalsContact O-OG 3.09Å; V221-S224 PolarHBondContact O-N 3.37Å; A222-S224 PolarHBondContact O-N 3.18Å; S224-F227 PolarHBondContact O-N 2.89Å; S224-I228 VanDerWaalsContact O-CG1 3.26Å; S224-I228 WeakPolarHBondContact O-CG1 3.4Å; S224-I228 PolarHBondContact O-N 3.3Å
225L94.2Very high92.5Very high18 Ų1852.2 Ų52.29%0.09427%0.265CS..Hα-helixtrans-65.7-45.6177.6-72.5165.4000112.2F84 Y85 T88 V221 A222 F223 F227 I228 L229F84-L225 HydrophobicContact CD1-CD1 3.57Å; F84-L225 HydrophobicContact CD1-CD2 4.01Å; F84-L225 HydrophobicContact CD1-CG 4.44Å; F84-L225 HydrophobicContact CE1-CD1 3.66Å; F84-L225 HydrophobicContact CE1-CD2 3.98Å; F84-L225 HydrophobicContact CE1-CG 4.37Å; Y85-L225 HydrophobicContact CD2-CD2 3.83Å; T88-L225 HydrophobicContact CG2-CD2 4.37Å; V221-L225 HydrophobicContact CG1-CD1 3.85Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 3.49Å; A222-L225 PolarHBondContact O-N 3.5Å; F223-L225 PolarHBondContact O-N 3.29Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.47Å; L225-I228 PolarHBondContact O-N 2.91Å; L225-L229 WeakPolarHBondContact O-CB 2.95Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.44Å
226I95Very high92.9Very high116 Ų11649.3 Ų49.360%0.59525%0.254SS*.Hα-helixtrans-62.2-43.4177-69.5166.7000110A222 F223 L229 F230A222-I226 WeakPolarHBondContact O-CB 3.42Å; A222-I226 WeakPolarHBondContact O-CD1 3.49Å; A222-I226 VanDerWaalsContact O-CG1 3.23Å; A222-I226 WeakPolarHBondContact O-CG1 3.23Å; A222-I226 PolarHBondContact O-N 3.05Å; F223-I226 PolarHBondContact O-N 3.48Å; I226-L229 PolarHBondContact O-N 3.41Å; I226-F230 WeakPolarHBondContact O-CB 3.45Å; I226-F230 PolarHBondContact O-N 3.36Å
227F95.9Very high93.1Very high13 Ų1342.9 Ų42.96%0.05722%0.224CC..Hα-helixtrans-58.7-48.7176.7175.4-94.4000111.7L170 F178 C193 L197 F223 S224 L225 G231L170-F227 HydrophobicContact CD1-CD2 4.21Å; L170-F227 HydrophobicContact CD1-CE2 3.95Å; L170-F227 HydrophobicContact CG-CE2 4.06Å; F178-F227 AromaticContact CE2-CD1 3.6Å; F178-F227 HydrophobicContact CE2-CD1 3.6Å; F178-F227 AromaticContact CE2-CE1 3.69Å; F178-F227 HydrophobicContact CE2-CE1 3.69Å; F178-F227 HydrophobicContact CE2-CG 4.13Å; F178-F227 HydrophobicContact CE2-CZ 4.29Å; F178-F227 AromaticContact CZ-CD1 3.96Å; F178-F227 HydrophobicContact CZ-CD1 3.96Å; F178-F227 HydrophobicContact CZ-CE1 4.45Å; F178-F227 HydrophobicContact CZ-CG 4.43Å; C193-F227 HydrophobicContact CB-CE1 4.43Å; C193-F227 HydrophobicContact CB-CZ 4.27Å; L197-F227 HydrophobicContact CD1-CE1 4.24Å; L197-F227 HydrophobicContact CD1-CZ 4.03Å; L197-F227 HydrophobicContact CD2-CE1 4.35Å; L197-F227 HydrophobicContact CG-CE1 4.4Å; F223-F227 VanDerWaalsContact O-CB 3.32Å; F223-F227 WeakPolarHBondContact O-CB 3.46Å; F223-F227 PolarHBondContact O-N 3.04Å; S224-F227 PolarHBondContact O-N 2.89Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.47Å; F227-G231 WeakPolarHBondContact O-CA 3.42Å; F227-G231 PolarHBondContact O-N 3.22Å
228I95.3Very high93.2Very high1 Ų139.5 Ų39.51%0.00521%0.207CC..Hα-helixtrans-61.4-50.9179-69.1166.9000110.5Y85 I94 T196 S224 L225 G231 L232Y85-I228 HydrophobicContact CE2-CD1 3.9Å; I94-I228 HydrophobicContact CD1-CG2 3.66Å; T196-I228 HydrophobicContact CG2-CD1 4.4Å; T196-I228 HydrophobicContact CG2-CG1 3.95Å; S224-I228 VanDerWaalsContact O-CG1 3.26Å; S224-I228 WeakPolarHBondContact O-CG1 3.4Å; S224-I228 PolarHBondContact O-N 3.3Å; L225-I228 PolarHBondContact O-N 2.91Å; I228-G231 PolarHBondContact O-N 2.83Å; I228-L232 HydrophobicContact CG2-CD1 3.9Å; I228-L232 HydrophobicContact CG2-CG 4.43Å; I228-L232 WeakPolarHBondContact O-CB 3.44Å; I228-L232 VanDerWaalsContact O-CG 3.26Å; I228-L232 WeakPolarHBondContact O-CG 3.32Å; I228-L232 PolarHBondContact O-N 3.47Å
229L94.7Very high93.1Very high65 Ų6539.7 Ų39.734%0.3420%0.202SC..Hα-helixtrans-64.8-43.6-177.5-68.2175000112.4T88 F125 L225 I226 T233T88-L229 HydrophobicContact CG2-CD2 4.16Å; F125-L229 HydrophobicContact CZ-CD2 4.34Å; L225-L229 WeakPolarHBondContact O-CB 2.95Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.44Å; I226-L229 PolarHBondContact O-N 3.41Å; L229-T233 WeakPolarHBondContact O-CB 3.12Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 VanDerWaalsContact O-N 3.1Å; L229-T233 PolarHBondContact O-OG1 3.14Å
230F94.7Very high92.8Very high99 Ų9931.3 Ų31.343%0.43417%0.166SC..Hα-helixtrans-68.6-40.4177.3-175.7-108.2000111.5L170 I226 T233 V234L170-F230 HydrophobicContact CD1-CD1 3.89Å; L170-F230 HydrophobicContact CD1-CE1 4.09Å; L170-F230 HydrophobicContact CD2-CD1 4Å; L170-F230 HydrophobicContact CD2-CE1 4.28Å; I226-F230 WeakPolarHBondContact O-CB 3.45Å; I226-F230 PolarHBondContact O-N 3.36Å; F230-T233 VanDerWaalsContact O-CB 3.3Å; F230-T233 WeakPolarHBondContact O-CB 3.42Å; F230-T233 PolarHBondContact O-N 3.32Å; F230-V234 HydrophobicContact CD1-CG2 4.32Å; F230-V234 HydrophobicContact CE1-CG2 3.92Å; F230-V234 HydrophobicContact CE2-CG2 4.45Å; F230-V234 HydrophobicContact CZ-CG2 3.99Å; F230-V234 WeakPolarHBondContact O-CG2 3.35Å; F230-V234 PolarHBondContact O-N 2.88Å
231G95.4Very high92.5Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-65.7-43.2177.900000113.6F227 I228 T233 V234 V235F227-G231 WeakPolarHBondContact O-CA 3.42Å; F227-G231 PolarHBondContact O-N 3.22Å; I228-G231 PolarHBondContact O-N 2.83Å; G231-T233 PolarHBondContact O-N 2.98Å; G231-V234 PolarHBondContact O-N 3.38Å; G231-V235 WeakPolarHBondContact O-CG2 3.3Å; G231-V235 PolarHBondContact O-N 3.33Å
232L94.9Very high92Very high10 Ų1033.9 Ų33.95%0.05218%0.18CC..Hα-helixtrans-61.8-35.2172.4-71.1174.6000111.6T92 I94 F125 L197 T199 I228 S236T92-L232 HydrophobicContact CG2-CD1 3.49Å; T92-L232 VanDerWaalsContact CG2-CD1 3.49Å; I94-L232 HydrophobicContact CD1-CD1 4.22Å; F125-L232 HydrophobicContact CD1-CB 4.35Å; F125-L232 HydrophobicContact CE1-CB 3.7Å; F125-L232 HydrophobicContact CE2-CB 3.94Å; F125-L232 HydrophobicContact CE2-CD1 3.91Å; F125-L232 HydrophobicContact CZ-CB 3.46Å; F125-L232 VanDerWaalsContact CZ-CB 3.46Å; F125-L232 HydrophobicContact CZ-CD1 3.64Å; F125-L232 HydrophobicContact CZ-CG 4.23Å; L197-L232 HydrophobicContact CD2-CG 4.35Å; L197-L232 WeakPolarHBondContact O-CD2 3.38Å; T199-L232 HydrophobicContact CG2-CD2 3.51Å; I228-L232 HydrophobicContact CG2-CD1 3.9Å; I228-L232 HydrophobicContact CG2-CG 4.43Å; I228-L232 WeakPolarHBondContact O-CB 3.44Å; I228-L232 VanDerWaalsContact O-CG 3.26Å; I228-L232 WeakPolarHBondContact O-CG 3.32Å; I228-L232 PolarHBondContact O-N 3.47Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 2.95Å
233T93.6Very high91.5Very high11 Ų1135.2 Ų35.27%0.06718%0.183CC..Hα-helixtrans-63.7-44.6174-59.40000111.9F125 I128 L132 L229 F230 G231 S236 A237F125-T233 WeakPolarHBondContact CD1-OG1 3.46Å; I128-T233 HydrophobicContact CB-CG2 3.97Å; I128-T233 HydrophobicContact CG2-CG2 3.34Å; L132-T233 HydrophobicContact CD2-CG2 4.43Å; L229-T233 WeakPolarHBondContact O-CB 3.12Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 VanDerWaalsContact O-N 3.1Å; L229-T233 PolarHBondContact O-OG1 3.14Å; F230-T233 VanDerWaalsContact O-CB 3.3Å; F230-T233 WeakPolarHBondContact O-CB 3.42Å; F230-T233 PolarHBondContact O-N 3.32Å; G231-T233 PolarHBondContact O-N 2.98Å; T233-S236 PolarHBondContact O-N 3.43Å; T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 3.43Å
234V93.3Very high90.6Very high4 Ų435.3 Ų35.32%0.02419%0.187CC..Hα-helixtrans-66.1-44.7178.41730000111.2L132 I166 L170 F230 G231 A237 A238L132-V234 HydrophobicContact CD2-CG2 3.95Å; I166-V234 HydrophobicContact CG2-CG1 4.06Å; I166-V234 HydrophobicContact CG2-CG2 4.39Å; L170-V234 HydrophobicContact CD2-CB 4.18Å; L170-V234 HydrophobicContact CD2-CG2 4.08Å; F230-V234 HydrophobicContact CD1-CG2 4.32Å; F230-V234 HydrophobicContact CE1-CG2 3.92Å; F230-V234 HydrophobicContact CE2-CG2 4.45Å; F230-V234 HydrophobicContact CZ-CG2 3.99Å; F230-V234 WeakPolarHBondContact O-CG2 3.35Å; F230-V234 PolarHBondContact O-N 2.88Å; G231-V234 PolarHBondContact O-N 3.38Å; V234-A237 WeakPolarHBondContact O-CB 3.2Å; V234-A237 PolarHBondContact O-N 3.37Å; V234-A238 PolarHBondContact O-N 2.7Å
235V92.5Very high89.8Confident39 Ų3944 Ų4424%0.23622%0.219CC..Hα-helixtrans-63.2-44.7176.1173.90000110.5L197 G231 A237 A238 M239L197-V235 HydrophobicContact CB-CG2 4.16Å; G231-V235 WeakPolarHBondContact O-CG2 3.3Å; G231-V235 PolarHBondContact O-N 3.33Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 2.7Å; V235-A238 PolarHBondContact O-N 3.43Å; V235-M239 HydrophobicContact CG1-CG 4.25Å; V235-M239 WeakPolarHBondContact O-CB 3.34Å; V235-M239 VanDerWaalsContact O-CG 3.31Å; V235-M239 WeakPolarHBondContact O-CG 3.27Å; V235-M239 PolarHBondContact O-N 3.45Å
236S90.8Very high89.1Confident16 Ų1649.2 Ų49.211%0.11224%0.242CC..Hα-helixtrans-58.8-42.6174177.30000112F125 Q126 L232 T233 A238 M239 N240F125-S236 PolarHBondContact O-OG 3.33Å; F125-S236 VanDerWaalsContact O-OG 3.05Å; Q126-S236 PolarHBondContact NE2-OG 3.34Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 2.95Å; T233-S236 PolarHBondContact O-N 3.43Å; S236-A238 VanDerWaalsContact C-N 3.34Å; S236-A238 PolarHBondContact O-N 2.95Å; S236-M239 PolarHBondContact O-N 2.84Å; S236-N240 VanDerWaalsContact O-CB 3.31Å; S236-N240 WeakPolarHBondContact O-CB 3.48Å; S236-N240 PolarHBondContact O-N 3.27Å
237A90.8Very high88.2Confident1 Ų148.2 Ų48.21%0.00824%0.237CC..Hα-helixtrans-62-41.2177.100000112.2L132 N133 T233 V234 V235 L241L132-A237 HydrophobicContact CD2-CB 4.07Å; N133-A237 PolarHBondContact ND2-O 3.43Å; T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 3.43Å; V234-A237 WeakPolarHBondContact O-CB 3.2Å; V234-A237 PolarHBondContact O-N 3.37Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 2.7Å; A237-L241 WeakPolarHBondContact O-CG 3.5Å; A237-L241 PolarHBondContact O-N 3.19Å
238A89.4Confident87.4Confident13 Ų1350.4 Ų50.411%0.10725%0.251CS..Hα-helixtrans-68.8-44175.700000111.9A163 V234 V235 S236 N240 L241 L242A163-A238 HydrophobicContact CB-CB 4.22Å; V234-A238 PolarHBondContact O-N 2.7Å; V235-A238 PolarHBondContact O-N 3.43Å; S236-A238 VanDerWaalsContact C-N 3.34Å; S236-A238 PolarHBondContact O-N 2.95Å; A238-N240 VanDerWaalsContact C-N 3.34Å; A238-N240 PolarHBondContact O-N 2.92Å; A238-L241 PolarHBondContact O-N 2.76Å; A238-L242 PolarHBondContact O-N 3.24Å
239M87.4Confident86.4Confident95 Ų9554.2 Ų54.247%0.46827%0.27SS..Hα-helixtrans-62.5-40.5176-70.7-59.3139.500111.6V235 S236 L241 L242 V243V235-M239 HydrophobicContact CG1-CG 4.25Å; V235-M239 WeakPolarHBondContact O-CB 3.34Å; V235-M239 VanDerWaalsContact O-CG 3.31Å; V235-M239 WeakPolarHBondContact O-CG 3.27Å; V235-M239 PolarHBondContact O-N 3.45Å; S236-M239 PolarHBondContact O-N 2.84Å; M239-L241 VanDerWaalsContact C-N 3.3Å; M239-L241 PolarHBondContact O-N 2.95Å; M239-L242 HydrophobicContact CE-CD1 4.33Å; M239-L242 PolarHBondContact O-N 3.39Å; M239-L242 VanDerWaalsContact O-N 3.15Å; M239-L242 HydrophobicContact SD-CD1 4.38Å; M239-V243 VanDerWaalsContact O-CB 3.31Å; M239-V243 WeakPolarHBondContact O-CB 3.31Å; M239-V243 VanDerWaalsContact O-CG2 3.27Å; M239-V243 WeakPolarHBondContact O-CG2 3.36Å; M239-V243 PolarHBondContact O-N 3.43Å
240N85.9Confident85.5Confident12 Ų1253.3 Ų53.36%0.06427%0.266CS..Hα-helixtrans-56.3-45.4176.5-170.221.8000110.9Q126 E130 S236 A238 L242 L244Q126-N240 PolarHBondContact OE1-OD1 3.46Å; E130-N240 VanDerWaalsContact CG-ND2 3.31Å; E130-N240 WeakPolarHBondContact CG-ND2 3.49Å; S236-N240 VanDerWaalsContact O-CB 3.31Å; S236-N240 WeakPolarHBondContact O-CB 3.48Å; S236-N240 PolarHBondContact O-N 3.27Å; A238-N240 VanDerWaalsContact C-N 3.34Å; A238-N240 PolarHBondContact O-N 2.92Å; N240-L242 PolarHBondContact O-N 3.31Å; N240-L244 WeakPolarHBondContact O-CB 3.41Å; N240-L244 VanDerWaalsContact O-CD1 3.31Å; N240-L244 WeakPolarHBondContact O-CD1 3.27Å; N240-L244 WeakPolarHBondContact O-CG 3.23Å; N240-L244 PolarHBondContact O-N 2.99Å; N240-L244 WeakPolarHBondContact OD1-CD1 3.33Å; N240-L244 WeakPolarHBondContact OD1-CG 3.32Å
241L85Confident84.9Confident15 Ų1551.5 Ų51.58%0.07926%0.263CS..Hα-helixtrans-64.6-38.1177.7-63.6172.1000113.4N133 L159 A163 A237 A238 M239 R245N133-L241 WeakPolarHBondContact ND2-CG 3.3Å; L159-L241 HydrophobicContact CB-CD1 4.3Å; L159-L241 HydrophobicContact CD2-CD1 3.9Å; L159-L241 HydrophobicContact CD2-CD2 3.6Å; L159-L241 HydrophobicContact CD2-CG 4.41Å; L159-L241 HydrophobicContact CG-CD1 3.63Å; L159-L241 HydrophobicContact CG-CD2 4.28Å; A163-L241 HydrophobicContact CB-CD1 4.27Å; A237-L241 WeakPolarHBondContact O-CG 3.5Å; A237-L241 PolarHBondContact O-N 3.19Å; A238-L241 PolarHBondContact O-N 2.76Å; M239-L241 VanDerWaalsContact C-N 3.3Å; M239-L241 PolarHBondContact O-N 2.95Å; L241-R245 PolarHBondContact O-N 3.07Å
242L82.4Confident84.1Confident65 Ų6555.8 Ų55.834%0.3428%0.283SS..Hα-helixtrans-71.5-48.9178.5-70.5174.1000111.4T160 A238 M239 N240 R245 F246T160-L242 HydrophobicContact CG2-CD2 3.89Å; T160-L242 HydrophobicContact CG2-CG 4.34Å; A238-L242 PolarHBondContact O-N 3.24Å; M239-L242 HydrophobicContact CE-CD1 4.33Å; M239-L242 PolarHBondContact O-N 3.39Å; M239-L242 VanDerWaalsContact O-N 3.15Å; M239-L242 HydrophobicContact SD-CD1 4.38Å; N240-L242 PolarHBondContact O-N 3.31Å; L242-R245 WeakPolarHBondContact O-CB 3.31Å; L242-R245 PolarHBondContact O-N 3.14Å; L242-F246 WeakPolarHBondContact O-CD2 3.29Å; L242-F246 PolarHBondContact O-N 3.45Å
243V82.7Confident83.3Confident71 Ų7157.3 Ų57.343%0.4329%0.291SS..Hα-helixtrans-64.7-45.4-179.2172.30000110.5M239 R245 F246 L247M239-V243 VanDerWaalsContact O-CB 3.31Å; M239-V243 WeakPolarHBondContact O-CB 3.31Å; M239-V243 VanDerWaalsContact O-CG2 3.27Å; M239-V243 WeakPolarHBondContact O-CG2 3.36Å; M239-V243 PolarHBondContact O-N 3.43Å; V243-R245 PolarHBondContact O-N 3.06Å; V243-F246 PolarHBondContact O-N 3.17Å; V243-L247 HydrophobicContact CG1-CD1 3.61Å; V243-L247 HydrophobicContact CG1-CG 3.87Å; V243-L247 WeakPolarHBondContact O-CG 3.28Å; V243-L247 PolarHBondContact O-N 3.36Å
244L74.4Confident82.6Confident78 Ų7860.8 Ų60.841%0.40831%0.307SS..Hα-helixtrans-53.1-44.7175.3-79.6165.3000111N240 F246 L247 T248N240-L244 WeakPolarHBondContact O-CB 3.41Å; N240-L244 VanDerWaalsContact O-CD1 3.31Å; N240-L244 WeakPolarHBondContact O-CD1 3.27Å; N240-L244 WeakPolarHBondContact O-CG 3.23Å; N240-L244 PolarHBondContact O-N 2.99Å; N240-L244 WeakPolarHBondContact OD1-CD1 3.33Å; N240-L244 WeakPolarHBondContact OD1-CG 3.32Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 3.15Å; L244-L247 PolarHBondContact O-N 3.45Å; L244-T248 WeakPolarHBondContact O-CB 3.16Å; L244-T248 WeakPolarHBondContact O-CG2 3.41Å; L244-T248 PolarHBondContact O-N 3.1Å; L244-T248 PolarHBondContact O-OG1 3.02Å
245R78.4Confident82.2Confident181 Ų18169.2 Ų69.268%0.68334%0.338SS*.Hα-helixtrans-61.7-37.5179-171.3-178.8-178.6-144.9-2.1113L241 L242 V243 T248 M249L241-R245 PolarHBondContact O-N 3.07Å; L242-R245 WeakPolarHBondContact O-CB 3.31Å; L242-R245 PolarHBondContact O-N 3.14Å; V243-R245 PolarHBondContact O-N 3.06Å; R245-T248 PolarHBondContact O-OG1 3.1Å; R245-M249 WeakPolarHBondContact O-CB 3.38Å; R245-M249 PolarHBondContact O-N 3.22Å
246F78Confident81.8Confident128 Ų12873.7 Ų73.756%0.56135%0.351SS*.Hα-helixtrans-77.1-39.8177.6-76.6-68.9000112.6L242 V243 L244 M249 N250L242-F246 WeakPolarHBondContact O-CD2 3.29Å; L242-F246 PolarHBondContact O-N 3.45Å; V243-F246 PolarHBondContact O-N 3.17Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 3.15Å; F246-M249 HydrophobicContact CD1-CE 4.39Å; F246-M249 WeakPolarHBondContact O-CB 3.34Å; F246-M249 PolarHBondContact O-N 3.18Å; F246-N250 PolarHBondContact O-N 2.6Å; F246-N250 VanDerWaalsContact O-N 3.1Å; F246-N250 PolarHBondContact O-OD1 3.27Å
247L77.6Confident81.4Confident95 Ų9575.4 Ų75.450%0.49736%0.359SS..Hα-helixtrans-66.8-44177.9-69.4-178.8000111.3V243 L244 M249 N250 T251V243-L247 HydrophobicContact CG1-CD1 3.61Å; V243-L247 HydrophobicContact CG1-CG 3.87Å; V243-L247 WeakPolarHBondContact O-CG 3.28Å; V243-L247 PolarHBondContact O-N 3.36Å; L244-L247 PolarHBondContact O-N 3.45Å; L247-M249 VanDerWaalsContact C-N 3.26Å; L247-M249 PolarHBondContact O-N 2.99Å; L247-N250 WeakPolarHBondContact O-CB 3.49Å; L247-N250 PolarHBondContact O-N 2.93Å; L247-N250 VanDerWaalsContact O-N 3.09Å; L247-T251 PolarHBondContact O-N 3.48Å; L247-T251 PolarHBondContact O-OG1 2.93Å
248T78.4Confident81.1Confident59 Ų5979.1 Ų79.136%0.36238%0.381SS..Hα-helixtrans-61.3-39.9177.258.20000110.8L244 R245 N250 T251 E252L244-T248 WeakPolarHBondContact O-CB 3.16Å; L244-T248 WeakPolarHBondContact O-CG2 3.41Å; L244-T248 PolarHBondContact O-N 3.1Å; L244-T248 PolarHBondContact O-OG1 3.02Å; R245-T248 PolarHBondContact O-OG1 3.1Å; T248-N250 VanDerWaalsContact C-N 3.32Å; T248-N250 PolarHBondContact O-N 3.33Å; T248-T251 WeakPolarHBondContact CA-OG1 3.42Å; T248-T251 PolarHBondContact O-N 3.49Å; T248-T251 PolarHBondContact O-OG1 3.37Å; T248-E252 VanDerWaalsContact O-CB 3.29Å; T248-E252 WeakPolarHBondContact O-CB 3.36Å; T248-E252 VanDerWaalsContact O-CG 3.23Å; T248-E252 WeakPolarHBondContact O-CG 3.44Å; T248-E252 PolarHBondContact O-N 3.21Å
249M73.6Confident80.9Confident81 Ų8183.9 Ų83.940%0.39940%0.401SS..Hα-helixtrans-59.2-43.5174.4-170.3-174.976.800111.6R245 F246 L247 E252 D253R245-M249 WeakPolarHBondContact O-CB 3.38Å; R245-M249 PolarHBondContact O-N 3.22Å; F246-M249 HydrophobicContact CD1-CE 4.39Å; F246-M249 WeakPolarHBondContact O-CB 3.34Å; F246-M249 PolarHBondContact O-N 3.18Å; L247-M249 VanDerWaalsContact C-N 3.26Å; L247-M249 PolarHBondContact O-N 2.99Å; M249-E252 PolarHBondContact O-N 2.67Å; M249-D253 VanDerWaalsContact O-CG 3.26Å; M249-D253 PolarHBondContact O-N 2.97Å
250N76.7Confident80.8Confident46 Ų4684.5 Ų84.525%0.24640%0.403CS..Hα-helixtrans-64.2-43.8177.4-66.6-5.2000112.6R7 F246 L247 T248 E254R7-N250 WeakPolarHBondContact CD-OD1 3.45Å; R7-N250 PolarHBondContact NE-OD1 3.14Å; R7-N250 VanDerWaalsContact NE-OD1 3.07Å; R7-N250 PolarHBondContact NH1-OD1 3.21Å; R7-N250 VanDerWaalsContact NH2-CG 3.27Å; R7-N250 PolarHBondContact NH2-OD1 3.05Å; F246-N250 PolarHBondContact O-N 2.6Å; F246-N250 VanDerWaalsContact O-N 3.1Å; F246-N250 PolarHBondContact O-OD1 3.27Å; L247-N250 WeakPolarHBondContact O-CB 3.49Å; L247-N250 PolarHBondContact O-N 2.93Å; L247-N250 VanDerWaalsContact O-N 3.09Å; T248-N250 VanDerWaalsContact C-N 3.32Å; T248-N250 PolarHBondContact O-N 3.33Å; N250-E254 PolarHBondContact O-N 3.35Å; N250-E254 VanDerWaalsContact O-N 3.13Å
251T81Confident80.7Confident62 Ų6286.8 Ų86.838%0.3842%0.423SS..Hα-helixtrans-71.4-34.1179.454.70000112.7L247 T248 E254 R255L247-T251 PolarHBondContact O-N 3.48Å; L247-T251 PolarHBondContact O-OG1 2.93Å; T248-T251 WeakPolarHBondContact CA-OG1 3.42Å; T248-T251 PolarHBondContact O-N 3.49Å; T248-T251 PolarHBondContact O-OG1 3.37Å; T251-E254 PolarHBondContact O-N 3.16Å; T251-R255 WeakPolarHBondContact O-CB 3.43Å; T251-R255 VanDerWaalsContact O-CG 3.31Å; T251-R255 WeakPolarHBondContact O-CG 3.31Å; T251-R255 PolarHBondContact O-N 3.35Å
252E79.6Confident80.7Confident90 Ų9091.5 Ų91.542%0.42144%0.444SS..Hα-helixtrans-66.9-40.4175.4-77.7176.3-155.300111T248 M249 R255 R256T248-E252 VanDerWaalsContact O-CB 3.29Å; T248-E252 WeakPolarHBondContact O-CB 3.36Å; T248-E252 VanDerWaalsContact O-CG 3.23Å; T248-E252 WeakPolarHBondContact O-CG 3.44Å; T248-E252 PolarHBondContact O-N 3.21Å; M249-E252 PolarHBondContact O-N 2.67Å; E252-R255 PolarHBondContact O-N 2.72Å; E252-R256 WeakPolarHBondContact O-CB 3.3Å; E252-R256 VanDerWaalsContact O-CG 3.26Å; E252-R256 WeakPolarHBondContact O-CG 3.35Å; E252-R256 PolarHBondContact O-N 3.32Å; E252-R256 IonicContact OE2-NH2 3.31Å
253D78.7Confident80.8Confident42 Ų4294.2 Ų94.223%0.22546%0.457CS..Hα-helixtrans-63.5-43.6174.3-71.6-25000111.6R7 M249 R255 R256 D257R7-D253 IonicContact NH1-OD2 2.59Å; R7-D253 PolarHBondContact NH1-OD2 3.49Å; R7-D253 VanDerWaalsContact NH1-OD2 3.08Å; M249-D253 VanDerWaalsContact O-CG 3.26Å; M249-D253 PolarHBondContact O-N 2.97Å; D253-R255 PolarHBondContact O-N 2.82Å; D253-R256 PolarHBondContact O-N 3.22Å; D253-D257 WeakPolarHBondContact O-CB 3.5Å; D253-D257 PolarHBondContact O-N 2.89Å
254E79Confident80.8Confident84 Ų8493.5 Ų93.539%0.39346%0.458SS..Hα-helixtrans-61.2-44.6176.1-76.8179.417100111.4Q4 N250 T251 R256 D257 V258Q4-E254 PolarHBondContact NE2-OE1 3.16Å; N250-E254 PolarHBondContact O-N 3.35Å; N250-E254 VanDerWaalsContact O-N 3.13Å; T251-E254 PolarHBondContact O-N 3.16Å; E254-R256 PolarHBondContact O-N 3.13Å; E254-D257 PolarHBondContact O-N 3.26Å; E254-V258 WeakPolarHBondContact O-CB 3.46Å; E254-V258 VanDerWaalsContact O-CG2 3.23Å; E254-V258 WeakPolarHBondContact O-CG2 3.48Å; E254-V258 PolarHBondContact O-N 3.26Å
255R84.3Confident81.2Confident180 Ų18092.3 Ų92.368%0.67946%0.46SS*.Hα-helixtrans-62.4-42.2176.1-74175.2178.7-174.3-2.2112.1T251 E252 D253 V258 Q259T251-R255 WeakPolarHBondContact O-CB 3.43Å; T251-R255 VanDerWaalsContact O-CG 3.31Å; T251-R255 WeakPolarHBondContact O-CG 3.31Å; T251-R255 PolarHBondContact O-N 3.35Å; E252-R255 PolarHBondContact O-N 2.72Å; D253-R255 PolarHBondContact O-N 2.82Å; R255-V258 PolarHBondContact O-N 2.85Å; R255-Q259 WeakPolarHBondContact O-CB 3.24Å; R255-Q259 VanDerWaalsContact O-CG 3.23Å; R255-Q259 WeakPolarHBondContact O-CG 3.45Å; R255-Q259 PolarHBondContact O-N 3.13Å
256R82.9Confident81.2Confident134 Ų13490 Ų9051%0.50645%0.452SS..Hα-helixtrans-66.1-45.9177.1-73.9175.6-166.3179.310.6111.9E252 D253 E254 V258 Q259 E260E252-R256 WeakPolarHBondContact O-CB 3.3Å; E252-R256 VanDerWaalsContact O-CG 3.26Å; E252-R256 WeakPolarHBondContact O-CG 3.35Å; E252-R256 PolarHBondContact O-N 3.32Å; E252-R256 IonicContact OE2-NH2 3.31Å; D253-R256 PolarHBondContact O-N 3.22Å; E254-R256 PolarHBondContact O-N 3.13Å; R256-V258 VanDerWaalsContact C-N 3.28Å; R256-V258 PolarHBondContact O-N 3.36Å; R256-Q259 PolarHBondContact O-N 2.97Å; R256-E260 WeakPolarHBondContact O-CB 3.34Å; R256-E260 WeakPolarHBondContact O-CG 3.29Å; R256-E260 PolarHBondContact O-N 3.41Å
257D82.7Confident80.9Confident52 Ų5286.1 Ų86.128%0.27845%0.447SS..Hα-helixtrans-63-36.6178.6-75.4-6.1000110.8K3 D253 E254 A261K3-D257 IonicContact NZ-OD1 2.7Å; K3-D257 PolarHBondContact NZ-OD1 2.69Å; D253-D257 WeakPolarHBondContact O-CB 3.5Å; D253-D257 PolarHBondContact O-N 2.89Å; E254-D257 PolarHBondContact O-N 3.26Å; D257-A261 WeakPolarHBondContact O-CB 3.26Å; D257-A261 PolarHBondContact O-N 3Å
258V84.6Confident80Confident78 Ų7887.5 Ų87.547%0.47345%0.454SS..Hα-helixtrans-66.5-47.4172.7169.50000111.2E254 R255 R256 E260 A261 H262E254-V258 WeakPolarHBondContact O-CB 3.46Å; E254-V258 VanDerWaalsContact O-CG2 3.23Å; E254-V258 WeakPolarHBondContact O-CG2 3.48Å; E254-V258 PolarHBondContact O-N 3.26Å; R255-V258 PolarHBondContact O-N 2.85Å; R256-V258 VanDerWaalsContact C-N 3.28Å; R256-V258 PolarHBondContact O-N 3.36Å; V258-E260 PolarHBondContact O-N 3.16Å; V258-A261 WeakPolarHBondContact O-CB 3.33Å; V258-A261 PolarHBondContact O-N 2.93Å; V258-H262 VanDerWaalsContact CG1-CD2 3.48Å; V258-H262 WeakPolarHBondContact CG1-CD2 3.43Å; V258-H262 PolarHBondContact O-CD2 2.66Å; V258-H262 PolarHBondContact O-N 3.48Å
259Q86.6Confident78.7Confident114 Ų11492.7 Ų92.753%0.53348%0.476SS..Hα-helixtrans-59.8-43.5176.4-76.3174.1-15.100112.3R255 R256 H262 M263R255-Q259 WeakPolarHBondContact O-CB 3.24Å; R255-Q259 VanDerWaalsContact O-CG 3.23Å; R255-Q259 WeakPolarHBondContact O-CG 3.45Å; R255-Q259 PolarHBondContact O-N 3.13Å; R256-Q259 PolarHBondContact O-N 2.97Å; Q259-H262 PolarHBondContact O-N 3.47Å; Q259-M263 HydrophobicContact CB-CE 3.99Å; Q259-M263 WeakPolarHBondContact O-CE 3.45Å; Q259-M263 WeakPolarHBondContact O-CG 3.3Å; Q259-M263 PolarHBondContact O-N 3.07Å
260E84.8Confident77.7Confident108 Ų10892 Ų9251%0.50549%0.49SS..Hα-helixtrans-62.7-40.2175.2-74.2175.2-16900111.6R256 V258 M263 A264R256-E260 WeakPolarHBondContact O-CB 3.34Å; R256-E260 WeakPolarHBondContact O-CG 3.29Å; R256-E260 PolarHBondContact O-N 3.41Å; V258-E260 PolarHBondContact O-N 3.16Å; E260-M263 PolarHBondContact O-N 3.3Å; E260-A264 WeakPolarHBondContact O-CB 3.26Å; E260-A264 PolarHBondContact O-N 3.4Å
261A83.2Confident76.4Confident59 Ų5996.8 Ų96.849%0.48852%0.515SS..Hα-helixtrans-65.2-42175.500000112.4D257 V258 A264 A265D257-A261 WeakPolarHBondContact O-CB 3.26Å; D257-A261 PolarHBondContact O-N 3Å; V258-A261 WeakPolarHBondContact O-CB 3.33Å; V258-A261 PolarHBondContact O-N 2.93Å; A261-A264 PolarHBondContact O-N 3.3Å; A261-A265 WeakPolarHBondContact O-CB 3.42Å; A261-A265 PolarHBondContact O-N 3.12Å
262H84.8Confident74.5Confident114 Ų114100.2 Ų100.253%0.52853%0.531SS..Hα-helixtrans-63.6-42174.2-75.1-70.4000112V258 Q259 A265 R266V258-H262 VanDerWaalsContact CG1-CD2 3.48Å; V258-H262 WeakPolarHBondContact CG1-CD2 3.43Å; V258-H262 PolarHBondContact O-CD2 2.66Å; V258-H262 PolarHBondContact O-N 3.48Å; Q259-H262 PolarHBondContact O-N 3.47Å; H262-A265 PolarHBondContact O-N 3.5Å; H262-R266 WeakPolarHBondContact O-CG 3.36Å; H262-R266 PolarHBondContact O-N 3.34Å; H262-R266 VanDerWaalsContact O-N 3.09Å
263M84.7Confident72.7Confident122 Ų122105.5 Ų105.560%0.60155%0.553SS**Hα-helixtrans-64.6-41.7175.9-74-174.6-99.700112.3Q259 E260 R266 G267Q259-M263 HydrophobicContact CB-CE 3.99Å; Q259-M263 WeakPolarHBondContact O-CE 3.45Å; Q259-M263 WeakPolarHBondContact O-CG 3.3Å; Q259-M263 PolarHBondContact O-N 3.07Å; E260-M263 PolarHBondContact O-N 3.3Å; M263-R266 PolarHBondContact O-N 2.8Å; M263-G267 PolarHBondContact O-N 3.21Å
264A83.7Confident70.6Confident56 Ų56113 Ų11346%0.46358%0.58SS.*Hα-helixtrans-64.6-39.2176.500000112.3E260 A261 G267 L268E260-A264 WeakPolarHBondContact O-CB 3.26Å; E260-A264 PolarHBondContact O-N 3.4Å; A261-A264 PolarHBondContact O-N 3.3Å; A264-G267 PolarHBondContact O-N 2.71Å; A264-L268 PolarHBondContact O-N 3.41Å
265A81.2Confident68.5Low54 Ų54120.4 Ų120.445%0.44661%0.606SS.*Hα-helixtrans-64.1-40.3175.300000112.3A261 H262 M269A261-A265 WeakPolarHBondContact O-CB 3.42Å; A261-A265 PolarHBondContact O-N 3.12Å; H262-A265 PolarHBondContact O-N 3.5Å; A265-M269 WeakPolarHBondContact O-CG 3.34Å; A265-M269 PolarHBondContact O-N 2.9Å
266R78.6Confident66.5Low133 Ų133116.4 Ų116.450%0.50260%0.603SS.*Hα-helixtrans-64-40.9174-71.9-178.3-169.9177.67.6112.3H262 M263 M269 D296H262-R266 WeakPolarHBondContact O-CG 3.36Å; H262-R266 PolarHBondContact O-N 3.34Å; H262-R266 VanDerWaalsContact O-N 3.09Å; M263-R266 PolarHBondContact O-N 2.8Å; R266-M269 PolarHBondContact O-N 2.91Å; R266-D296 IonicContact CZ-OD2 3.57Å; R266-D296 VanDerWaalsContact CZ-OD2 3.31Å; R266-D296 IonicContact NH1-OD2 3.73Å; R266-D296 PolarHBondContact NH1-OD2 2.97Å; R266-D296 VanDerWaalsContact NH2-CG 3.27Å; R266-D296 IonicContact NH2-OD1 3.47Å; R266-D296 PolarHBondContact NH2-OD1 3.2Å; R266-D296 IonicContact NH2-OD2 3.08Å; R266-D296 PolarHBondContact NH2-OD2 3.32Å
267G71.3Confident64.6Low45 Ų45115.2 Ų115.246%0.46462%0.615SS.*Hα-helixtrans-66-39.5178.200000113.6M263 A264 G270M263-G267 PolarHBondContact O-N 3.21Å; A264-G267 PolarHBondContact O-N 2.71Å; G267-G270 PolarHBondContact O-N 3.3Å
268L59.9Low62.6Low124 Ų124120.2 Ų120.265%0.64964%0.642SS**Hα-helixtrans-69.8-32.5177.7-85.4158.3000113.1A264 G270 L271A264-L268 PolarHBondContact O-N 3.41Å; L268-G270 PolarHBondContact O-N 2.94Å; L268-L271 PolarHBondContact O-N 3.4Å
269M50.7Low60.4Low168 Ų168120.5 Ų120.583%0.82866%0.66SS**Hα-helixtrans-65.1-21.6172.8-72.8-112.4-170.300112.9A265 R266A265-M269 WeakPolarHBondContact O-CG 3.34Å; A265-M269 PolarHBondContact O-N 2.9Å; R266-M269 PolarHBondContact O-N 2.91Å
270G52Low58.3Low67 Ų67119.9 Ų119.969%0.69168%0.675SS**THydrogen-bonded Turntrans-80-9.3176.800000115.6G267 L268G267-G270 PolarHBondContact O-N 3.3Å; L268-G270 PolarHBondContact O-N 2.94Å
271L49.8Very low56Low147 Ų147122.4 Ų122.477%0.7769%0.691SS**THydrogen-bonded Turntrans-108.46.2-172.9-86160.1000114.6L268L268-L271 PolarHBondContact O-N 3.4Å
272N42Very low53.9Low133 Ų133127.6 Ų127.671%0.71171%0.71SS**  trans-100.7128.8178.4-89.1-23.3000112.8
273F42.2Very low51.7Low201 Ų201131.1 Ų131.188%0.88272%0.724SS**  trans87.489.4173-74.6-90.7000118.9
274Y33Very low49.5Very low201 Ų201130.1 Ų130.179%0.78873%0.729SS**  trans-131.1102.8151.2-148.9-87.9000110.3P276Y274-P276 HydrophobicContact CE1-CG 4.24Å
275Y35.4Very low47.4Very low238 Ų238137.3 Ų137.393%0.93375%0.749SS**  trans-153.8106.6155.9-89.3-77.4000108.4
276P42.5Very low45.4Very low97 Ų97145.2 Ų145.263%0.6377%0.767SS**  trans-116.8114.8162.931.2-16.9000110.5Y274Y274-P276 HydrophobicContact CE1-CG 4.24Å
277S42.3Very low43.5Very low109 Ų109141.3 Ų141.376%0.76276%0.761SS**  trans-81.8128152.345.80000107.5
278N42Very low42.1Very low157 Ų157143.7 Ų143.784%0.8477%0.77SS**SBendtrans68.196.6166.2-55.9-16.2000117.7
279G38.2Very low41.4Very low83 Ų83141 Ų14186%0.85677%0.766SS**  trans56.382.5131.500000118.9
280A42.5Very low41.2Very low101 Ų101138.2 Ų138.284%0.83576%0.755SS**  trans-179.5129133.400000109.6L282A280-L282 PolarHBondContact O-N 3.38Å
281L36.2Very low41.1Very low162 Ų162141 Ų14185%0.84875%0.753SS**  trans-83.6110.2-176.8-170.2122.5000110.1
282L38.8Very low41Very low168 Ų168138.8 Ų138.888%0.8874%0.741SS**  trans-133.592.2160.6-89.1166.9000109.6A280 S284A280-L282 PolarHBondContact O-N 3.38Å; L282-S284 VanDerWaalsContact C-N 3.31Å; L282-S284 PolarHBondContact O-N 3.24Å
283K39.2Very low41.2Very low188 Ų188136.7 Ų136.782%0.81773%0.73SS**  trans-68.789.5161.9-94.8179.4174.7171.70108.2K285K283-K285 PolarHBondContact O-N 2.89Å
284S37.3Very low41.6Very low101 Ų101136 Ų13671%0.70672%0.722SS**  trans-87.183.7158.2-175.20000108.4L282 R286L282-S284 VanDerWaalsContact C-N 3.31Å; L282-S284 PolarHBondContact O-N 3.24Å; S284-R286 PolarHBondContact O-N 2.89Å; S284-R286 VanDerWaalsContact O-N 3.17Å
285K39.9Very low42.5Very low206 Ų206133.3 Ų133.390%0.89671%0.714SS**  trans-77.178.1154.6-89.7-170.4172.6-172.30106.1K283K283-K285 PolarHBondContact O-N 2.89Å
286R39.9Very low43.3Very low220 Ų220124 Ų12483%0.8368%0.681SS**  trans-104.9119.5165.6-151.6165.9-166.7167.92.3108.1S284 S288S284-R286 PolarHBondContact O-N 2.89Å; S284-R286 VanDerWaalsContact O-N 3.17Å; R286-S288 PolarHBondContact O-N 3.07Å
287S37.6Very low43.7Very low51 Ų51124.6 Ų124.636%0.35768%0.675SS.*  trans-53101.1-172.3-165.20000112.2D290S287-D290 WeakPolarHBondContact CB-OD2 3.3Å; S287-D290 PolarHBondContact OG-N 3.49Å; S287-D290 VanDerWaalsContact OG-N 3.16Å; S287-D290 PolarHBondContact OG-OD1 2.93Å; S287-D290 PolarHBondContact OG-OD2 3.01Å
288S41.8Very low44.2Very low95 Ų95125.5 Ų125.566%0.66467%0.667SS**SBendtrans-80.3-5.8158.9-66.40000111.7R286R286-S288 PolarHBondContact O-N 3.07Å
289A46.9Very low44.7Very low69 Ų69124.2 Ų124.257%0.5766%0.656SS**Hα-helixtrans-74.2-41.9173.800000111.2L291 L292 D293A289-L291 PolarHBondContact O-N 3.43Å; A289-L292 PolarHBondContact O-N 2.96Å; A289-D293 PolarHBondContact O-N 2.98Å; A289-D293 VanDerWaalsContact O-N 3.08Å
290D46.3Very low45.2Very low109 Ų109125.5 Ų125.558%0.58364%0.643SS**Hα-helixtrans-73.9-21.3-174.6-61.4-30000114.4S287S287-D290 WeakPolarHBondContact CB-OD2 3.3Å; S287-D290 PolarHBondContact OG-N 3.49Å; S287-D290 VanDerWaalsContact OG-N 3.16Å; S287-D290 PolarHBondContact OG-OD1 2.93Å; S287-D290 PolarHBondContact OG-OD2 3.01Å
291L48.7Very low45.3Very low124 Ų124125.3 Ų125.365%0.64963%0.628SS**Hα-helixtrans-86.2-24.6177-83.2169.2000113A289A289-L291 PolarHBondContact O-N 3.43Å
292L47.8Very low46Very low101 Ų101123.4 Ų123.453%0.52962%0.615SS.*Hα-helixtrans-85.5-35175.1-79.7161.9000111.6A289 R294 F295 D296A289-L292 PolarHBondContact O-N 2.96Å; L292-R294 PolarHBondContact O-N 2.83Å; L292-F295 PolarHBondContact O-N 3.2Å; L292-D296 PolarHBondContact O-N 2.94Å
293D47.3Very low46.2Very low90 Ų90121.4 Ų121.448%0.48160%0.601SS.*Hα-helixtrans-57.8-33.4173.4-124.424.9000111.4A289 Q297A289-D293 PolarHBondContact O-N 2.98Å; A289-D293 VanDerWaalsContact O-N 3.08Å; D293-Q297 WeakPolarHBondContact O-CB 3.46Å; D293-Q297 PolarHBondContact O-N 3.02Å
294R50.7Low46.2Very low186 Ų186115 Ų11570%0.70258%0.583SS**Hα-helixtrans-68.7-33.5176.5-113.8-178.1171.8-165.4-4.6114.1L292 E298L292-R294 PolarHBondContact O-N 2.83Å; R294-E298 PolarHBondContact O-N 2.87Å
295F51.5Low46.5Very low144 Ų144117.2 Ų117.263%0.63258%0.582SS**Hα-helixtrans-78.3-37.8176.7-89.1-83.7000111.5L292 E298 E299L292-F295 PolarHBondContact O-N 3.2Å; F295-E298 PolarHBondContact O-N 2.62Å; F295-E299 PolarHBondContact O-N 2.82Å
296D51.6Low46.5Very low43 Ų43114.3 Ų114.323%0.2357%0.569CS.*Hα-helixtrans-68.8-35.3176.2-67.4-44.8000112.3R266 L292 L300R266-D296 IonicContact CZ-OD2 3.57Å; R266-D296 VanDerWaalsContact CZ-OD2 3.31Å; R266-D296 IonicContact NH1-OD2 3.73Å; R266-D296 PolarHBondContact NH1-OD2 2.97Å; R266-D296 VanDerWaalsContact NH2-CG 3.27Å; R266-D296 IonicContact NH2-OD1 3.47Å; R266-D296 PolarHBondContact NH2-OD1 3.2Å; R266-D296 IonicContact NH2-OD2 3.08Å; R266-D296 PolarHBondContact NH2-OD2 3.32Å; L292-D296 PolarHBondContact O-N 2.94Å; D296-L300 VanDerWaalsContact O-CB 3.29Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 VanDerWaalsContact O-CG 3.28Å; D296-L300 WeakPolarHBondContact O-CG 3.43Å; D296-L300 PolarHBondContact O-N 3.14Å
297Q51.5Low46.4Very low109 Ų109108 Ų10851%0.50956%0.559SS.*Hα-helixtrans-67.1-40.5177.3-145.398.616.100111.3D293 D301D293-Q297 WeakPolarHBondContact O-CB 3.46Å; D293-Q297 PolarHBondContact O-N 3.02Å; Q297-D301 VanDerWaalsContact O-CB 3.23Å; Q297-D301 WeakPolarHBondContact O-CB 3.36Å; Q297-D301 PolarHBondContact O-N 3.44Å
298E53.6Low46.4Very low129 Ų129109.4 Ų109.460%0.60357%0.569SS**Hα-helixtrans-67.3-35.8177.9-77.7178.6171.500112.3R294 F295 E302R294-E298 PolarHBondContact O-N 2.87Å; F295-E298 PolarHBondContact O-N 2.62Å; E298-E302 PolarHBondContact O-N 3.39Å
299E51.1Low46.1Very low129 Ų129109.1 Ų109.160%0.60357%0.567SS**Hα-helixtrans-77.5-35.5178.6-157.5171.4178.100112.5F295 E303F295-E299 PolarHBondContact O-N 2.82Å; E299-E303 PolarHBondContact O-N 2.91Å
300L48.3Very low45.5Very low111 Ų111111.6 Ų111.658%0.58158%0.575SS**Hα-helixtrans-72.4-34.1174.3-74.4167.9000112.9D296 E303 A304D296-L300 VanDerWaalsContact O-CB 3.29Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 VanDerWaalsContact O-CG 3.28Å; D296-L300 WeakPolarHBondContact O-CG 3.43Å; D296-L300 PolarHBondContact O-N 3.14Å; L300-E303 PolarHBondContact O-N 3.32Å; L300-A304 VanDerWaalsContact O-CB 3.28Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 2.97Å
301D45.9Very low44.8Very low97 Ų97111.2 Ų111.252%0.51958%0.581SS.*Hα-helixtrans-70.8-35175.5-71-20.9000111Q297 E305Q297-D301 VanDerWaalsContact O-CB 3.23Å; Q297-D301 WeakPolarHBondContact O-CB 3.36Å; Q297-D301 PolarHBondContact O-N 3.44Å; D301-E305 PolarHBondContact O-N 2.92Å
302E49.7Very low44.1Very low122 Ų122110.2 Ų110.257%0.5758%0.584SS**Hα-helixtrans-69.1-33.1173-86.7-162157.400113.8E298 K306E298-E302 PolarHBondContact O-N 3.39Å; E302-K306 PolarHBondContact O-N 3.24Å
303E44.1Very low43.3Very low125 Ų125113.1 Ų113.158%0.58460%0.601SS**Hα-helixtrans-80.6-28.2175.7-75.2-164.814800113.1E299 L300 K306 S307E299-E303 PolarHBondContact O-N 2.91Å; L300-E303 PolarHBondContact O-N 3.32Å; E303-K306 PolarHBondContact O-N 3.04Å; E303-S307 PolarHBondContact O-N 3.45Å; E303-S307 VanDerWaalsContact O-N 3.1Å; E303-S307 PolarHBondContact O-OG 3.31Å
304A39.8Very low42.7Very low53 Ų53113.7 Ų113.744%0.43861%0.611SS.*Hα-helixtrans-69.4-33172.600000112.4L300 S307 S308L300-A304 VanDerWaalsContact O-CB 3.28Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 2.97Å; A304-S307 PolarHBondContact O-OG 2.92Å; A304-S308 WeakPolarHBondContact O-CB 3.14Å; A304-S308 PolarHBondContact O-N 3.31Å; A304-S308 PolarHBondContact O-OG 2.98Å
305E41.9Very low41.9Very low148 Ų148110.6 Ų110.669%0.69262%0.617SS**Hα-helixtrans-74.4-30.2172.4-80.4-167.9150.200113.2D301 S308 S309D301-E305 PolarHBondContact O-N 2.92Å; E305-S308 PolarHBondContact O-OG 3.37Å; E305-S309 PolarHBondContact O-OG 3.42Å
306K41.3Very low41.2Very low145 Ų145110.7 Ų110.763%0.6363%0.629SS**Hα-helixtrans-77.2-25.1175.7-78.9170.9-175.2153.40113.9E302 E303 S309E302-K306 PolarHBondContact O-N 3.24Å; E303-K306 PolarHBondContact O-N 3.04Å; K306-S309 PolarHBondContact O-OG 3.39Å
307S37.1Very low40.5Very low87 Ų87114.3 Ų114.361%0.60866%0.657SS**Hα-helixtrans-93.1-14.9178.956.10000114.2E303 A304E303-S307 PolarHBondContact O-N 3.45Å; E303-S307 VanDerWaalsContact O-N 3.1Å; E303-S307 PolarHBondContact O-OG 3.31Å; A304-S307 PolarHBondContact O-OG 2.92Å
308S36.7Very low39.8Very low81 Ų81117.7 Ų117.757%0.56668%0.678SS**Hα-helixtrans-92.9-10.4175.3540000114A304 E305A304-S308 WeakPolarHBondContact O-CB 3.14Å; A304-S308 PolarHBondContact O-N 3.31Å; A304-S308 PolarHBondContact O-OG 2.98Å; E305-S308 PolarHBondContact O-OG 3.37Å
309S36.8Very low39.1Very low89 Ų89116.6 Ų116.662%0.62268%0.684SS**SBendtrans-947.9-178.946.20000115.5E305 K306E305-S309 PolarHBondContact O-OG 3.42Å; K306-S309 PolarHBondContact O-OG 3.39Å
310T34.4Very low38.5Very low122 Ų122119.4 Ų119.475%0.74869%0.694SS**SBendtrans-123.251.3170.450.10000112
311S31.4Very low37.9Very low100 Ų100125.5 Ų125.570%0.69971%0.71SS**SBendtrans-168.877.8166.41700000111.5
312S32.9Very low37.3Very low103 Ų103125.8 Ų125.872%0.7272%0.716SS**  trans167.9125.5145.837.20000108.7
313D32Very low36.8Very low163 Ų163128.1 Ų128.187%0.87273%0.732SS**  trans162.484.7135.8-80.7-14.4000110.8
314S34.2Very low36.3Very low101 Ų101128 Ų12871%0.70674%0.744SS**  trans-159.376.1146.971.60000109.5
315C34.3Very low36.3Very low121 Ų121130.1 Ų130.182%0.81876%0.761SS**  trans-157.476.4156.5-131.30000109.8C317C315-C317 PolarHBondContact O-N 2.96Å
316T37.1Very low36.1Very low146 Ų146130.7 Ų130.790%0.89677%0.769SS**  trans-74.8114.6161.938.50000109
317C36.9Very low35.9Very low119 Ų119135.9 Ų135.980%0.80478%0.784SS**  trans-62.1128.5176.7-530000112.1C315C315-C317 PolarHBondContact O-N 2.96Å
318L35.9Very low35.9Very low181 Ų181135.5 Ų135.595%0.94880%0.795SS**  trans-92.896.7154.2-103.8123.7000108.2
319S38.8Very low35.9Very low105 Ų105136.3 Ų136.373%0.73481%0.806SS**  trans-167.4110.9145.756.50000109.8
320K38.8Very low36Very low189 Ų189143.7 Ų143.782%0.82282%0.82SS**  trans-40.9133.6162.1-66.9169.5172.9178.10110.1
321W34.8Very low36.3Very low239 Ų239143.6 Ų143.691%0.90582%0.822SS**  173.2138.5107-93.583.6000108.7
322P34.8Very low36.5Very low102 Ų102150 Ų15066%0.66283%0.833SS**  trans-98.8155.2-158.237.5-30.4000112.3
323L39.3Very low36.7Very low171 Ų171152.7 Ų152.790%0.89584%0.838SS**  trans179.1142.4141.4-94.2152.4000110.6
324C34Very low36.9Very low123 Ų123151.1 Ų151.183%0.83183%0.834SS**  trans77.483.2177.4-650000115.8
325A39.2Very low37Very low97 Ų97152.1 Ų152.180%0.80284%0.836SS**  78.5108.660.300000115.3
326N37.2Very low37.1Very low160 Ų160156.9 Ų156.986%0.85684%0.836SS**  trans62.4109.3143.1-90-10.5000122.1
327R37.7Very low37.3Very low254 Ų254155.6 Ų155.696%0.95883%0.831SS**  164.9116.2118.3-87.2172.6-162-160.75.6105.3
328G36.6Very low37.6Very low80 Ų80155.6 Ų155.683%0.82583%0.829SS**  149.5124.554.200000105.3
329A37.6Very low37.7Very low98 Ų98153.5 Ų153.581%0.8182%0.823SS**  trans-78.5152.4-167.600000114.2
330R38.4Very low37.7Very low243 Ų243157.4 Ų157.492%0.91783%0.83SS**  trans-166.3151.8133-101.5167.8-165.3-1534.5111.3
331P40.2Very low37.6Very low121 Ų121155.1 Ų155.179%0.78683%0.825SS**  trans-95.4150.9-151.136.2-33.2000114.7
332Y36.2Very low37.6Very low235 Ų235150.6 Ų150.692%0.92282%0.819SS**  trans-71.7132.1173.4-77.1-91.1000112
333L36.1Very low37.9Very low159 Ų159156.5 Ų156.583%0.83283%0.828SS**  trans-108.8118.4172.1-138.4149.4000107.4V335L333-V335 HydrophobicContact CD2-CG2 4.4Å
334V36.3Very low38Very low129 Ų129154.8 Ų154.878%0.78282%0.819SS**  trans-80.7120.2-178.4174.50000109.3
335V37.3Very low38.3Very low123 Ų123156.7 Ų156.775%0.74582%0.82SS**  trans-127.1122.4167.9-176.50000108.7L333L333-V335 HydrophobicContact CD2-CG2 4.4Å
336R36.8Very low38.3Very low221 Ų221157.1 Ų157.183%0.83482%0.823SS**PPolyproline II helixtrans-82.5136.7174-65.1-179177.5-164.6-1109.5
337P41.1Very low38.2Very low119 Ų119154.6 Ų154.677%0.77382%0.818SS**PPolyproline II helixtrans-79.2144.2167.430.7-29.7000110.8
338P41.9Very low38.4Very low119 Ų119148.2 Ų148.277%0.77381%0.81SS**PPolyproline II helixtrans-87.5149.4-175.834.5-32.6000112.8
339V37.9Very low38.5Very low136 Ų136150 Ų15082%0.82481%0.807SS**PPolyproline II helixtrans-74.6126.7161.5171.50000108.4
340Q38.6Very low38.7Very low188 Ų188154 Ų15488%0.87981%0.814SS**  trans-155.1115.2154.7-116.2169.24.300112
341I38.4Very low38.7Very low141 Ų141147 Ų14772%0.72380%0.802SS**  trans-75.8158.4161-70166.6000107.8
342D34.9Very low38.6Very low143 Ų143148.4 Ų148.477%0.76580%0.803SS**  trans87.6106.6177.4-60.4-33.9000115
343R41.1Very low38.6Very low227 Ų227144.7 Ų144.786%0.85780%0.798SS**  -179.4123.1124.3-98.3171.6-172.1-160.53.6113
344L40.6Very low38.7Very low134 Ų134144.1 Ų144.170%0.70279%0.791SS**  trans81.697.1132.5-53.8165.5000116.7
345L40.2Very low38.6Very low164 Ų164146.3 Ų146.386%0.85980%0.795SS**  67.6111.275.5-66.6175.4000114.1
346A38.8Very low38.6Very low105 Ų105143.7 Ų143.787%0.86879%0.793SS**  174.6131.6118.500000112.3
347S36.4Very low38.5Very low107 Ų107141.7 Ų141.775%0.74880%0.798SS**  trans-77.4-179.5-176.854.70000115.3
348P41.2Very low38.1Very low120 Ų120144.6 Ų144.678%0.77980%0.803SS**  -146.3169.389.834.3-14.2000115.5
349P39.7Very low37.9Very low119 Ų119145.2 Ų145.277%0.77381%0.805SS**  trans-93.3150.5-166.136.5-31.6000113.5
350L40Very low37.7Very low181 Ų181144.6 Ų144.695%0.94881%0.807SS**  trans-116.5104.9167.5-87.8161.1000109.6
351S39.9Very low37.5Very low95 Ų95146.8 Ų146.866%0.66481%0.808SS**  trans-81.7144.2163.650.30000110.8
352N36.4Very low37.4Very low151 Ų151148.3 Ų148.381%0.80781%0.813SS**  trans69.792.8157.5-55.2-21.3000117.9
353L37.2Very low37.3Very low158 Ų158150.3 Ų150.383%0.82782%0.817SS**  trans-142.799.4138.4-135.791.2000109.2
354E38.3Very low37.2Very low146 Ų146144.1 Ų144.168%0.68282%0.815SS**  52.4108.2128.9-65.3-170.9120.900118.7
355M35Very low37Very low176 Ų176145.1 Ų145.187%0.86782%0.821SS**  67.2103.999.7-97.7-168.9-65.300114.1
356G37Very low36.8Very low68 Ų68142.8 Ų142.870%0.70182%0.818SS**  trans169.6103.2163.700000113.1
357L34.3Very low36.7Very low178 Ų178141 Ų14193%0.93281%0.811SS**  trans79.778.7165.2-65.7107.6000118.5
358M33.2Very low36.7Very low180 Ų180142.3 Ų142.389%0.88782%0.816SS**  -86.7163.4128.9-98.2-150.3166.700109.5
359T36.5Very low36.5Very low133 Ų133141.1 Ų141.182%0.81682%0.816SS**  trans8695.2169.172.50000118.3
360S34.4Very low36.7Very low123 Ų123143.6 Ų143.686%0.8682%0.821SS**  -165.491.7126.3600000110.4
361Y33.7Very low36.6Very low233 Ų233141.2 Ų141.291%0.91481%0.814SS**  trans-92109.8156.1-129.9-90.5000105
362Q37.5Very low36.6Very low174 Ų174141.9 Ų141.981%0.81382%0.819SS**  trans173.4107.3154.4-101.8167.1-49.200111.7
363Q33.1Very low36.8Very low184 Ų184140.6 Ų140.686%0.8682%0.819SS**  62.696.7116.8-148.3156.2-12.700119.5
364A37Very low37Very low97 Ų97139.2 Ų139.280%0.80282%0.817SS**  trans-172.3142.7152.500000106.1
365D37Very low37.1Very low155 Ų155140 Ų14083%0.82983%0.825SS**  cis-163.7160.8-11.1-139.4-23.7000105.6
366S36.5Very low37.2Very low116 Ų116143 Ų14381%0.81183%0.827SS**  trans-66.8143.9-172.145.20000116.9
367G35.6Very low37.2Very low68 Ų68148 Ų14870%0.70184%0.836SS**  trans-173.9133.5162.300000112
368P37.4Very low37.7Very low134 Ų134150.9 Ų150.987%0.8784%0.835SS**PPolyproline II helixtrans-85122.5-161.232.9-32000112.6
369A37.4Very low38.1Very low94 Ų94152.9 Ų152.978%0.77783%0.832SS**PPolyproline II helixtrans-92.2126.8170.600000111.2T371A369-T371 PolarHBondContact O-N 3.28Å
370I43.3Very low38.3Very low172 Ų172153.5 Ų153.588%0.88283%0.83SS**PPolyproline II helixtrans-53.5124.1177.6-67.2160.7000111
371T38.5Very low38.6Very low130 Ų130158.2 Ų158.280%0.79883%0.829SS**PPolyproline II helixtrans-74.9123.4175.146.30000111.7A369A369-T371 PolarHBondContact O-N 3.28Å
372S39.5Very low39Very low110 Ų110158.2 Ų158.277%0.76983%0.827SS**  trans-121.6125.515084.10000108.4
373P39.8Very low39.1Very low124 Ų124157.8 Ų157.881%0.80583%0.83SS**  trans-107108.2174.832.6-21.8000110.2
374V42.9Very low39.6Very low129 Ų129154.1 Ų154.178%0.78283%0.825SS**  trans-113.4121.7157.6-179.80000106.7
375L39.7Very low40.1Very low161 Ų161161.3 Ų161.384%0.84385%0.848SS**  trans107.191.8175-61.4158000115.7
376R37.2Very low40.3Very low241 Ų241161.6 Ų161.691%0.90985%0.849SS**  167.6118.9120.1-94.4173.2-154.6-145.74.5108.7
377L37.9Very low40.5Very low173 Ų173164 Ų16491%0.90685%0.851SS**  trans-163.794.7139.6-102.4154000108.6
378R42.9Very low40.8Very low238 Ų238169.3 Ų169.390%0.89886%0.859SS**  trans-99.1130.3162.1-135.9-179.1-176.6-176.81105.3
379R41.4Very low41Very low221 Ų221171.4 Ų171.483%0.83486%0.859SS**  trans69.5116.2172.3-66.8179.5179.5-176.4-0.4116.3
380L40.8Very low41.2Very low147 Ų147176.3 Ų176.377%0.7786%0.864SS**  -172.3130.8111.7-93.6159.8000111
381R40.8Very low41Very low222 Ų222176.5 Ų176.584%0.83886%0.862SS**  trans61.3109.1147.8-71.5174.5179.1-178.6-1.8118.2
382R42.1Very low41.2Very low232 Ų232179.9 Ų179.988%0.87587%0.867SS**  33.6105.680.3-79.8-168.5-159.5-161.35.2113.1
383L40.2Very low41.4Very low166 Ų166185.2 Ų185.287%0.86988%0.875SS**  169.5139.8116.7-87.6158000111.4
384S44.9Very low41.5Very low107 Ų107190.3 Ų190.375%0.74888%0.88SS**  trans70.6122.3154.161.50000122
385L47.3Very low41.4Very low247 Ų247195.9 Ų195.9100%1.29389%0.889SS**  trans86.70165.4-67.8162.3000117.8

Retrieved 385 of 385 residues in 92 ms (Link to these results)