A0A3Q0KQG8_SCHMA Loading...

Twik family of potassium channels-related

AlphaFold DB , UniProt , Accession A0A3Q0KQG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 825 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M72.6Confident85.8Confident183 Ų18397.5 Ų97.590%0.90149%0.49SS*.  0153.80-74.6-177.5-95.700109.2V6M1-V6 HydrophobicContact CB-CG2 3.71Å
2K82Confident86.6Confident145 Ų14596.2 Ų96.263%0.6348%0.484SS*.  trans-63.6148.5171.5-63.7-174.5177.9-175.50110.6Q4 N5 V6K2-Q4 PolarHBondContact O-N 3.5Å; K2-N5 PolarHBondContact O-N 3.34Å; K2-V6 PolarHBondContact O-N 3.12Å; K2-V6 VanDerWaalsContact O-N 3.14Å
3R80.9Confident87.4Confident114 Ų11494.8 Ų94.843%0.4348%0.484SS..Hα-helixtrans-55-42.5178.2-65.2-174.6-176.7136.1-0.4111.4N5 V6 R7 D256 E259R3-N5 PolarHBondContact O-N 3.01Å; R3-V6 PolarHBondContact O-N 2.73Å; R3-R7 WeakPolarHBondContact O-CB 3.36Å; R3-R7 PolarHBondContact O-N 3.17Å; R3-D256 WeakPolarHBondContact CD-OD1 3.49Å; R3-D256 IonicContact CZ-OD1 2.98Å; R3-D256 IonicContact NE-OD1 3.69Å; R3-D256 IonicContact NH1-OD1 3.99Å; R3-D256 PolarHBondContact NH1-OD1 2.96Å; R3-E259 IonicContact CZ-OE1 2.76Å; R3-E259 IonicContact CZ-OE2 3.83Å; R3-E259 IonicContact NH1-OE1 3.55Å; R3-E259 PolarHBondContact NH1-OE1 3.48Å; R3-E259 IonicContact NH1-OE2 2.65Å; R3-E259 PolarHBondContact NH1-OE2 3.47Å; R3-E259 VanDerWaalsContact NH2-CD 3.34Å; R3-E259 IonicContact NH2-OE1 2.84Å; R3-E259 PolarHBondContact NH2-OE1 3.27Å; R3-E259 IonicContact NH2-OE2 2.73Å; R3-E259 PolarHBondContact NH2-OE2 3.36Å
4Q78.4Confident88.1Confident87 Ų8794 Ų9441%0.40749%0.485SS..Hα-helixtrans-55-48.4174.1-170173.549.600113.1K2 V6 R7 T8 E253K2-Q4 PolarHBondContact O-N 3.5Å; Q4-V6 PolarHBondContact O-N 3.22Å; Q4-R7 PolarHBondContact O-N 2.86Å; Q4-T8 PolarHBondContact O-N 3.45Å; Q4-T8 PolarHBondContact O-OG1 3.38Å; Q4-T8 VanDerWaalsContact O-OG1 3.1Å; Q4-E253 PolarHBondContact NE2-OE1 2.84Å
5N88.4Confident88.6Confident87 Ų8793.1 Ų93.147%0.46549%0.486SS..Hα-helixtrans-64.6-40.5178.9-65.141.9000112K2 R3 T8 L9K2-N5 PolarHBondContact O-N 3.34Å; R3-N5 PolarHBondContact O-N 3.01Å; N5-T8 PolarHBondContact O-N 3.19Å; N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 PolarHBondContact O-N 2.8Å
6V90.4Very high89.1Confident74 Ų7495.4 Ų95.445%0.44849%0.491SS..Hα-helixtrans-63.9-43176.8177.80000110.6M1 K2 R3 Q4 L9 S10M1-V6 HydrophobicContact CB-CG2 3.71Å; K2-V6 PolarHBondContact O-N 3.12Å; K2-V6 VanDerWaalsContact O-N 3.14Å; R3-V6 PolarHBondContact O-N 2.73Å; Q4-V6 PolarHBondContact O-N 3.22Å; V6-L9 PolarHBondContact O-N 3.18Å; V6-S10 WeakPolarHBondContact O-CB 3.44Å; V6-S10 PolarHBondContact O-N 3.46Å
7R86.7Confident89.6Confident52 Ų5294.4 Ų94.420%0.19649%0.49CS..Hα-helixtrans-62.2-43.7174.8176.7176.2162.5175-7.9112.1R3 Q4 S10 L11 F245 M248 N249 D252R3-R7 WeakPolarHBondContact O-CB 3.36Å; R3-R7 PolarHBondContact O-N 3.17Å; Q4-R7 PolarHBondContact O-N 2.86Å; R7-S10 PolarHBondContact O-N 3.32Å; R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 WeakPolarHBondContact O-CG 3.39Å; R7-L11 PolarHBondContact O-N 3.28Å; R7-F245 PolarHBondContact NH2-O 3.03Å; R7-F245 VanDerWaalsContact NH2-O 3.08Å; R7-M248 VanDerWaalsContact NH1-CE 3.29Å; R7-N249 PolarHBondContact NH1-OD1 2.93Å; R7-N249 PolarHBondContact NH2-OD1 3.42Å; R7-D252 IonicContact NH1-OD2 3.23Å
8T88.2Confident90.1Very high73 Ų7398.9 Ų98.945%0.44850%0.501SS..Hα-helixtrans-64.6-46.4176.6-59.20000111.8Q4 N5 S10 L11 I12Q4-T8 PolarHBondContact O-N 3.45Å; Q4-T8 PolarHBondContact O-OG1 3.38Å; Q4-T8 VanDerWaalsContact O-OG1 3.1Å; N5-T8 PolarHBondContact O-N 3.19Å; T8-S10 VanDerWaalsContact C-N 3.34Å; T8-S10 PolarHBondContact O-N 3.09Å; T8-L11 PolarHBondContact O-N 2.92Å; T8-I12 HydrophobicContact CG2-CD1 4.06Å; T8-I12 WeakPolarHBondContact O-CG1 3.4Å; T8-I12 PolarHBondContact O-N 3.16Å
9L92.2Very high90.5Very high91 Ų9199.3 Ų99.348%0.47650%0.504SS..Hα-helixtrans-62.5-41.3176.5-177.362.6000111.6N5 V6 I12 V13N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 PolarHBondContact O-N 2.8Å; V6-L9 PolarHBondContact O-N 3.18Å; L9-I12 PolarHBondContact O-N 2.91Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 3.4Å
10S92.7Very high90.9Very high67 Ų67100.6 Ų100.647%0.46951%0.512SS..Hα-helixtrans-61.7-42.8175.4176.90000112.2V6 R7 T8 V13 V14V6-S10 WeakPolarHBondContact O-CB 3.44Å; V6-S10 PolarHBondContact O-N 3.46Å; R7-S10 PolarHBondContact O-N 3.32Å; T8-S10 VanDerWaalsContact C-N 3.34Å; T8-S10 PolarHBondContact O-N 3.09Å; S10-V13 PolarHBondContact O-N 2.99Å; S10-V14 WeakPolarHBondContact O-CB 3.26Å; S10-V14 VanDerWaalsContact O-CG2 3.26Å; S10-V14 WeakPolarHBondContact O-CG2 3.44Å; S10-V14 PolarHBondContact O-N 3.47Å
11L91.6Very high91.2Very high99 Ų99100.8 Ų100.852%0.51851%0.514SS..Hα-helixtrans-63.5-40.9174.8-74.8168.2000112.2R7 T8 T15R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 WeakPolarHBondContact O-CG 3.39Å; R7-L11 PolarHBondContact O-N 3.28Å; T8-L11 PolarHBondContact O-N 2.92Å; L11-T15 WeakPolarHBondContact O-CB 3.24Å; L11-T15 PolarHBondContact O-N 2.81Å; L11-T15 PolarHBondContact O-OG1 3.35Å
12I95Very high92.4Very high82 Ų8293.1 Ų93.142%0.42148%0.481SS..Hα-helixtrans-61.6-50.1175.7-69.5165.4000110.4T8 L9 V14 T15 F16T8-I12 HydrophobicContact CG2-CD1 4.06Å; T8-I12 WeakPolarHBondContact O-CG1 3.4Å; T8-I12 PolarHBondContact O-N 3.16Å; L9-I12 PolarHBondContact O-N 2.91Å; I12-V14 PolarHBondContact O-N 3.23Å; I12-T15 PolarHBondContact O-N 3.27Å; I12-F16 HydrophobicContact CG2-CD2 3.74Å; I12-F16 HydrophobicContact CG2-CE2 3.75Å; I12-F16 WeakPolarHBondContact O-CD2 3.3Å; I12-F16 PolarHBondContact O-N 3.39Å
13V97Very high93.2Very high79 Ų7989.1 Ų89.148%0.47948%0.475SS..Hα-helixtrans-60.6-45.4178.81710000111.4L9 S10 T15 F16 T17L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 3.4Å; S10-V13 PolarHBondContact O-N 2.99Å; V13-T15 VanDerWaalsContact C-N 3.31Å; V13-T15 PolarHBondContact O-N 3.47Å; V13-F16 PolarHBondContact O-N 3.35Å; V13-T17 PolarHBondContact O-N 2.86Å; V13-T17 PolarHBondContact O-OG1 3.46Å
14V96.7Very high94Very high83 Ų8386.5 Ų86.550%0.50348%0.478SS..Hα-helixtrans-64.2-35.1177.4169.40000112S10 I12 T17 Y18S10-V14 WeakPolarHBondContact O-CB 3.26Å; S10-V14 VanDerWaalsContact O-CG2 3.26Å; S10-V14 WeakPolarHBondContact O-CG2 3.44Å; S10-V14 PolarHBondContact O-N 3.47Å; I12-V14 PolarHBondContact O-N 3.23Å; V14-T17 PolarHBondContact O-OG1 3.11Å; V14-Y18 WeakPolarHBondContact O-CB 3.37Å; V14-Y18 PolarHBondContact O-N 3.48Å
15T96Very high95Very high80 Ų8086.3 Ų86.349%0.49148%0.479SS..Hα-helixtrans-68.5-43.7175.7-55.30000111L11 I12 V13 Y18 L19L11-T15 WeakPolarHBondContact O-CB 3.24Å; L11-T15 PolarHBondContact O-N 2.81Å; L11-T15 PolarHBondContact O-OG1 3.35Å; I12-T15 PolarHBondContact O-N 3.27Å; V13-T15 VanDerWaalsContact C-N 3.31Å; V13-T15 PolarHBondContact O-N 3.47Å; T15-Y18 PolarHBondContact O-N 3.04Å; T15-L19 HydrophobicContact CG2-CD1 4.31Å; T15-L19 WeakPolarHBondContact O-CG 3.49Å; T15-L19 PolarHBondContact O-N 3.49Å
16F97.4Very high95.4Very high130 Ų13088.6 Ų88.657%0.5749%0.485SS*.Hα-helixtrans-65.8-41.6176.6-84.1-67.3000112.9I12 V13 Y18 L19 L20I12-F16 HydrophobicContact CG2-CD2 3.74Å; I12-F16 HydrophobicContact CG2-CE2 3.75Å; I12-F16 WeakPolarHBondContact O-CD2 3.3Å; I12-F16 PolarHBondContact O-N 3.39Å; V13-F16 PolarHBondContact O-N 3.35Å; F16-Y18 VanDerWaalsContact C-N 3.35Å; F16-L19 PolarHBondContact O-N 3.04Å; F16-L20 WeakPolarHBondContact O-CG 3.34Å; F16-L20 PolarHBondContact O-N 3.18Å
17T97.9Very high95.8Very high78 Ų7890 Ų9048%0.47949%0.49SS..Hα-helixtrans-69-33.4176.156.30000112.4V13 V14 L20 L21V13-T17 PolarHBondContact O-N 2.86Å; V13-T17 PolarHBondContact O-OG1 3.46Å; V14-T17 PolarHBondContact O-OG1 3.11Å; T17-L20 PolarHBondContact O-N 3.47Å; T17-L21 VanDerWaalsContact O-CB 3.32Å; T17-L21 WeakPolarHBondContact O-CB 3.45Å; T17-L21 PolarHBondContact O-N 2.9Å
18Y97.7Very high96.3Very high176 Ų17691.6 Ų91.669%0.6951%0.514SS*.Hα-helixtrans-64.6-41.1171.9-175.1-101.1000112.3V14 T15 F16 G22V14-Y18 WeakPolarHBondContact O-CB 3.37Å; V14-Y18 PolarHBondContact O-N 3.48Å; T15-Y18 PolarHBondContact O-N 3.04Å; F16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-G22 PolarHBondContact O-N 3.33Å
19L98.1Very high96.8Very high106 Ų10693.6 Ų93.656%0.55552%0.522SS*.Hα-helixtrans-65.1-42.6174.7-73169.8000112.5T15 F16 G22 A23T15-L19 HydrophobicContact CG2-CD1 4.31Å; T15-L19 WeakPolarHBondContact O-CG 3.49Å; T15-L19 PolarHBondContact O-N 3.49Å; F16-L19 PolarHBondContact O-N 3.04Å; L19-G22 PolarHBondContact O-N 3.2Å; L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 3.44Å
20L98.1Very high97Very high125 Ų12594.2 Ų94.265%0.65452%0.522SS*.Hα-helixtrans-64.7-42.6176.4-71.3170.4000112.1F16 T17 A23 A24F16-L20 WeakPolarHBondContact O-CG 3.34Å; F16-L20 PolarHBondContact O-N 3.18Å; T17-L20 PolarHBondContact O-N 3.47Å; L20-A23 PolarHBondContact O-N 3.49Å; L20-A24 PolarHBondContact O-N 3.39Å
21L98.1Very high97.2Very high106 Ų10693.3 Ų93.356%0.55552%0.515SS*.Hα-helixtrans-63.8-43.1175.1179.561.8000111.4T17 A24 I25T17-L21 VanDerWaalsContact O-CB 3.32Å; T17-L21 WeakPolarHBondContact O-CB 3.45Å; T17-L21 PolarHBondContact O-N 2.9Å; L21-A24 PolarHBondContact O-N 3.02Å; L21-I25 HydrophobicContact CD1-CD1 3.9Å; L21-I25 HydrophobicContact CD1-CG1 4.38Å; L21-I25 HydrophobicContact CG-CD1 3.91Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.18Å
22G97.8Very high97.4Very high21 Ų2197 Ų9722%0.21653%0.53CS..Hα-helixtrans-60.8-46.8175.200000112.3Y18 L19 A24 I25 F26Y18-G22 PolarHBondContact O-N 3.33Å; L19-G22 PolarHBondContact O-N 3.2Å; G22-A24 PolarHBondContact O-N 3.3Å; G22-I25 PolarHBondContact O-N 2.78Å; G22-F26 WeakPolarHBondContact O-CD2 3.36Å; G22-F26 PolarHBondContact O-N 3.48Å
23A98.1Very high97.5Very high61 Ų6198.5 Ų98.550%0.50453%0.534SS..Hα-helixtrans-59.2-46177.900000112.2L19 L20 I25 F26 D27L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 3.44Å; L20-A23 PolarHBondContact O-N 3.49Å; A23-I25 VanDerWaalsContact C-N 3.32Å; A23-I25 PolarHBondContact O-N 3.24Å; A23-F26 PolarHBondContact O-N 2.83Å; A23-D27 WeakPolarHBondContact O-CB 3.38Å; A23-D27 PolarHBondContact O-N 2.8Å
24A98.3Very high97.5Very high60 Ų6099.6 Ų99.650%0.49653%0.534SS..Hα-helixtrans-65-33.2177.400000113.2L20 L21 G22 A28L20-A24 PolarHBondContact O-N 3.39Å; L21-A24 PolarHBondContact O-N 3.02Å; G22-A24 PolarHBondContact O-N 3.3Å; A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.49Å; A24-A28 PolarHBondContact O-N 2.89Å
25I98.3Very high97.5Very high83 Ų83100.3 Ų100.343%0.42654%0.538SS..Hα-helixtrans-73-43176.3-70.7168.4000111.3L21 G22 A23 A28 L29L21-I25 HydrophobicContact CD1-CD1 3.9Å; L21-I25 HydrophobicContact CD1-CG1 4.38Å; L21-I25 HydrophobicContact CG-CD1 3.91Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.18Å; G22-I25 PolarHBondContact O-N 2.78Å; A23-I25 VanDerWaalsContact C-N 3.32Å; A23-I25 PolarHBondContact O-N 3.24Å; I25-A28 PolarHBondContact O-N 2.89Å; I25-L29 HydrophobicContact CG2-CD1 3.77Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.08Å
26F98.1Very high97.5Very high135 Ų13599.6 Ų99.659%0.59254%0.536SS*.Hα-helixtrans-68.8-39.2178.1-73.1-60.9000112.3G22 A23 A28 L29 E30G22-F26 WeakPolarHBondContact O-CD2 3.36Å; G22-F26 PolarHBondContact O-N 3.48Å; A23-F26 PolarHBondContact O-N 2.83Å; F26-A28 VanDerWaalsContact C-N 3.35Å; F26-A28 PolarHBondContact O-N 3.5Å; F26-L29 PolarHBondContact O-N 3.28Å; F26-E30 WeakPolarHBondContact O-CB 3.4Å; F26-E30 PolarHBondContact O-N 2.8Å
27D98.1Very high97.4Very high104 Ų10495.6 Ų95.656%0.55652%0.519SS*.Hα-helixtrans-58.9-46173.5-174.640.5000111.4A23 L29 S31A23-D27 WeakPolarHBondContact O-CB 3.38Å; A23-D27 PolarHBondContact O-N 2.8Å; D27-L29 PolarHBondContact O-N 3.39Å; D27-S31 WeakPolarHBondContact O-CB 3.21Å; D27-S31 PolarHBondContact O-N 3.4Å; D27-S31 PolarHBondContact O-OG 2.86Å; D27-S31 WeakPolarHBondContact OD1-CB 3.2Å; D27-S31 PolarHBondContact OD1-OG 3.2Å
28A97.8Very high97.3Very high84 Ų8494.9 Ų94.969%0.69451%0.513SS*.Hα-helixtrans-72.3-4.1178.100000115.5A24 I25 F26A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.49Å; A24-A28 PolarHBondContact O-N 2.89Å; I25-A28 PolarHBondContact O-N 2.89Å; F26-A28 VanDerWaalsContact C-N 3.35Å; F26-A28 PolarHBondContact O-N 3.5Å
29L97.5Very high97.2Very high116 Ų11689.8 Ų89.861%0.60750%0.5SS*.Hα-helixtrans-115.7-38.6179-71.3174.2000112.9I25 F26 D27I25-L29 HydrophobicContact CG2-CD1 3.77Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.08Å; F26-L29 PolarHBondContact O-N 3.28Å; D27-L29 PolarHBondContact O-N 3.39Å
30E97.4Very high97.2Very high103 Ų10391.2 Ų91.248%0.48150%0.498SS..Hα-helixtrans-104.3-26.4-169.6-56.1-66.115700113.1F26 E32 F33 E34F26-E30 WeakPolarHBondContact O-CB 3.4Å; F26-E30 PolarHBondContact O-N 2.8Å; E30-E32 PolarHBondContact O-N 3.44Å; E30-F33 CarbonylContact O-C 3.49Å; E30-F33 WeakPolarHBondContact O-CB 3.4Å; E30-F33 PolarHBondContact O-N 3.4Å; E30-F33 VanDerWaalsContact O-N 3.1Å; E30-E34 PolarHBondContact O-N 3.24Å
31S96.5Very high97Very high48 Ų4890.1 Ų90.134%0.33649%0.492SS..Hα-helixtrans-68.7-37.2-169.6-66.30000113.8D27 F33 V35D27-S31 WeakPolarHBondContact O-CB 3.21Å; D27-S31 PolarHBondContact O-N 3.4Å; D27-S31 PolarHBondContact O-OG 2.86Å; D27-S31 WeakPolarHBondContact OD1-CB 3.2Å; D27-S31 PolarHBondContact OD1-OG 3.2Å; S31-F33 VanDerWaalsContact C-N 3.3Å; S31-V35 WeakPolarHBondContact O-CG2 3.34Å; S31-V35 PolarHBondContact O-N 3.4Å
32E96.2Very high96.8Very high176 Ų17692.4 Ų92.482%0.82249%0.493SS*.Hα-helixtrans-68.3-31.7172.1-65.6-169.2166.900112E30 S36E30-E32 PolarHBondContact O-N 3.44Å; E32-S36 WeakPolarHBondContact O-CB 3.33Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 VanDerWaalsContact O-N 3.14Å; E32-S36 PolarHBondContact O-OG 3.4Å
33F95.9Very high96.7Very high115 Ų11597.5 Ų97.550%0.50451%0.511SS..Hα-helixtrans-73.3-44.4177.8-175.5-112.6000111.8E30 S31 V35 S36 E37E30-F33 CarbonylContact O-C 3.49Å; E30-F33 WeakPolarHBondContact O-CB 3.4Å; E30-F33 PolarHBondContact O-N 3.4Å; E30-F33 VanDerWaalsContact O-N 3.1Å; S31-F33 VanDerWaalsContact C-N 3.3Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 PolarHBondContact O-N 3.02Å; F33-S36 PolarHBondContact O-N 2.73Å; F33-S36 PolarHBondContact O-OG 2.63Å; F33-E37 HydrophobicContact CD1-CG 4.33Å; F33-E37 HydrophobicContact CD2-CG 4.12Å; F33-E37 HydrophobicContact CE1-CG 3.93Å; F33-E37 HydrophobicContact CE2-CG 3.69Å; F33-E37 HydrophobicContact CG-CG 4.42Å; F33-E37 HydrophobicContact CZ-CG 3.58Å; F33-E37 WeakPolarHBondContact O-CB 3.46Å; F33-E37 WeakPolarHBondContact O-CG 3.38Å; F33-E37 PolarHBondContact O-N 3.36Å
34E96.8Very high96.5Very high101 Ų10197.3 Ų97.347%0.47251%0.507SS..Hα-helixtrans-61.6-40.4177.1-176.3165.6-113.800111.8E30 D38 R746E30-E34 PolarHBondContact O-N 3.24Å; E34-D38 VanDerWaalsContact O-CB 3.3Å; E34-D38 WeakPolarHBondContact O-CB 3.48Å; E34-D38 PolarHBondContact O-N 3.24Å; E34-R746 IonicContact OE1-CZ 2.69Å; E34-R746 VanDerWaalsContact OE1-CZ 3.24Å; E34-R746 IonicContact OE1-NH1 3.72Å; E34-R746 PolarHBondContact OE1-NH1 2.72Å; E34-R746 IonicContact OE1-NH2 2.71Å; E34-R746 PolarHBondContact OE1-NH2 3.43Å
35V96.9Very high96.3Very high98 Ų9895.7 Ų95.759%0.59449%0.493SS*.Hα-helixtrans-68.3-44177.7173.40000111.9S31 F33 D38 V39S31-V35 WeakPolarHBondContact O-CG2 3.34Å; S31-V35 PolarHBondContact O-N 3.4Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 PolarHBondContact O-N 3.02Å; V35-D38 PolarHBondContact O-N 3.41Å; V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 2.91Å
36S96.4Very high96Very high65 Ų6596.4 Ų96.446%0.45550%0.495SS..Hα-helixtrans-69.7-35.4179.351.80000112.8E32 F33 R40E32-S36 WeakPolarHBondContact O-CB 3.33Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 VanDerWaalsContact O-N 3.14Å; E32-S36 PolarHBondContact O-OG 3.4Å; F33-S36 PolarHBondContact O-N 2.73Å; F33-S36 PolarHBondContact O-OG 2.63Å; S36-R40 WeakPolarHBondContact O-CB 3.32Å; S36-R40 PolarHBondContact O-N 3.15Å
37E95.2Very high95.9Very high46 Ų4693.4 Ų93.422%0.21549%0.49CS..Hα-helixtrans-67.7-41.8172.4-77.1-66.196.500112.9F33 V39 R40 L41F33-E37 HydrophobicContact CD1-CG 4.33Å; F33-E37 HydrophobicContact CD2-CG 4.12Å; F33-E37 HydrophobicContact CE1-CG 3.93Å; F33-E37 HydrophobicContact CE2-CG 3.69Å; F33-E37 HydrophobicContact CG-CG 4.42Å; F33-E37 HydrophobicContact CZ-CG 3.58Å; F33-E37 WeakPolarHBondContact O-CB 3.46Å; F33-E37 WeakPolarHBondContact O-CG 3.38Å; F33-E37 PolarHBondContact O-N 3.36Å; E37-V39 VanDerWaalsContact C-N 3.35Å; E37-V39 PolarHBondContact O-N 2.66Å; E37-R40 PolarHBondContact O-N 2.93Å; E37-R40 IonicContact OE1-CZ 2.92Å; E37-R40 IonicContact OE1-NE 3.3Å; E37-R40 PolarHBondContact OE1-NE 3.42Å; E37-R40 IonicContact OE1-NH2 3.99Å; E37-R40 PolarHBondContact OE1-NH2 3.02Å; E37-R40 IonicContact OE2-CZ 3Å; E37-R40 IonicContact OE2-NE 3.88Å; E37-R40 IonicContact OE2-NH2 3.04Å; E37-R40 PolarHBondContact OE2-NH2 3.43Å; E37-L41 VanDerWaalsContact O-CB 3.28Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 WeakPolarHBondContact O-CG 3.36Å; E37-L41 PolarHBondContact O-N 3.45Å
38D95.3Very high95.7Very high64 Ų6492.5 Ų92.534%0.34249%0.485SS..Hα-helixtrans-60.3-43.517717565.2000111.6E34 V35 R42E34-D38 VanDerWaalsContact O-CB 3.3Å; E34-D38 WeakPolarHBondContact O-CB 3.48Å; E34-D38 PolarHBondContact O-N 3.24Å; V35-D38 PolarHBondContact O-N 3.41Å; D38-R42 WeakPolarHBondContact O-CB 3.43Å; D38-R42 WeakPolarHBondContact O-CG 3.27Å; D38-R42 PolarHBondContact O-N 3.24Å; D38-R42 IonicContact OD1-CZ 3.17Å; D38-R42 VanDerWaalsContact OD1-CZ 3.23Å; D38-R42 IonicContact OD1-NE 2.72Å; D38-R42 PolarHBondContact OD1-NE 2.59Å; D38-R42 IonicContact OD1-NH2 3.34Å; D38-R42 PolarHBondContact OD1-NH2 2.97Å; D38-R42 IonicContact OD2-CZ 2.91Å; D38-R42 IonicContact OD2-NE 2.83Å; D38-R42 PolarHBondContact OD2-NE 3.4Å; D38-R42 IonicContact OD2-NH1 2.66Å; D38-R42 IonicContact OD2-NH2 3.52Å; D38-R42 PolarHBondContact OD2-NH2 2.94Å
39V96.9Very high95.5Very high69 Ų6991.7 Ų91.742%0.41846%0.464SS..Hα-helixtrans-61.3-53173.1174.40000110.9V35 E37 L41 R42 E43V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 2.91Å; E37-V39 VanDerWaalsContact C-N 3.35Å; E37-V39 PolarHBondContact O-N 2.66Å; V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 PolarHBondContact O-N 3.36Å; V39-R42 PolarHBondContact O-N 3.33Å; V39-R42 VanDerWaalsContact O-N 3.11Å; V39-E43 HydrophobicContact CG1-CG 4.38Å; V39-E43 WeakPolarHBondContact O-CG 3.3Å; V39-E43 PolarHBondContact O-N 2.98Å
40R96.7Very high95.4Very high135 Ų13590.8 Ų90.851%0.50946%0.464SS..Hα-helixtrans-58.1-38.2-178.8-172.8175.773.7112.1-1.5112.7S36 E37 S44S36-R40 WeakPolarHBondContact O-CB 3.32Å; S36-R40 PolarHBondContact O-N 3.15Å; E37-R40 PolarHBondContact O-N 2.93Å; E37-R40 IonicContact OE1-CZ 2.92Å; E37-R40 IonicContact OE1-NE 3.3Å; E37-R40 PolarHBondContact OE1-NE 3.42Å; E37-R40 IonicContact OE1-NH2 3.99Å; E37-R40 PolarHBondContact OE1-NH2 3.02Å; E37-R40 IonicContact OE2-CZ 3Å; E37-R40 IonicContact OE2-NE 3.88Å; E37-R40 IonicContact OE2-NH2 3.04Å; E37-R40 PolarHBondContact OE2-NH2 3.43Å; R40-S44 VanDerWaalsContact O-CB 3.32Å; R40-S44 WeakPolarHBondContact O-CB 3.48Å; R40-S44 PolarHBondContact O-N 3.16Å; R40-S44 VanDerWaalsContact O-N 3.1Å; R40-S44 PolarHBondContact O-OG 3.3Å
41L95.2Very high95.3Very high103 Ų10392.9 Ų92.954%0.53947%0.471SS..Hα-helixtrans-74.1-35.8178.2-71.5170.2000112.3E37 V39 A45E37-L41 VanDerWaalsContact O-CB 3.28Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 WeakPolarHBondContact O-CG 3.36Å; E37-L41 PolarHBondContact O-N 3.45Å; V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 PolarHBondContact O-N 3.36Å; L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 3.38Å
42R94.2Very high95.2Very high153 Ų15397.2 Ų97.258%0.57748%0.481SS*.Hα-helixtrans-67-48.3173.7-73.1171.9-166.5-15712111.9D38 V39 S44 A45 E46D38-R42 WeakPolarHBondContact O-CB 3.43Å; D38-R42 WeakPolarHBondContact O-CG 3.27Å; D38-R42 PolarHBondContact O-N 3.24Å; D38-R42 IonicContact OD1-CZ 3.17Å; D38-R42 VanDerWaalsContact OD1-CZ 3.23Å; D38-R42 IonicContact OD1-NE 2.72Å; D38-R42 PolarHBondContact OD1-NE 2.59Å; D38-R42 IonicContact OD1-NH2 3.34Å; D38-R42 PolarHBondContact OD1-NH2 2.97Å; D38-R42 IonicContact OD2-CZ 2.91Å; D38-R42 IonicContact OD2-NE 2.83Å; D38-R42 PolarHBondContact OD2-NE 3.4Å; D38-R42 IonicContact OD2-NH1 2.66Å; D38-R42 IonicContact OD2-NH2 3.52Å; D38-R42 PolarHBondContact OD2-NH2 2.94Å; V39-R42 PolarHBondContact O-N 3.33Å; V39-R42 VanDerWaalsContact O-N 3.11Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.04Å; R42-A45 WeakPolarHBondContact O-CB 3.42Å; R42-A45 PolarHBondContact O-N 2.89Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3Å
43E95.3Very high95.2Very high128 Ų12896 Ų9660%0.59848%0.481SS*.Hα-helixtrans-56.1-43.6174.4-69.6177166.400111.4V39 E46 S47V39-E43 HydrophobicContact CG1-CG 4.38Å; V39-E43 WeakPolarHBondContact O-CG 3.3Å; V39-E43 PolarHBondContact O-N 2.98Å; E43-E46 PolarHBondContact O-N 3.19Å; E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 3.06Å
44S94.7Very high95.1Very high58 Ų5892.9 Ų92.941%0.40647%0.468SS..Hα-helixtrans-63-40.7175-61.50000112.5R40 R42 L48R40-S44 VanDerWaalsContact O-CB 3.32Å; R40-S44 WeakPolarHBondContact O-CB 3.48Å; R40-S44 PolarHBondContact O-N 3.16Å; R40-S44 VanDerWaalsContact O-N 3.1Å; R40-S44 PolarHBondContact O-OG 3.3Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.04Å; S44-L48 VanDerWaalsContact O-CG 3.26Å; S44-L48 WeakPolarHBondContact O-CG 3.46Å; S44-L48 PolarHBondContact O-N 3.3Å
45A93.1Very high95Very high26 Ų2691.4 Ų91.422%0.21547%0.467CS..Hα-helixtrans-66.1-43.5177.300000112.3L41 R42 L48 R49 F59L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 3.38Å; R42-A45 WeakPolarHBondContact O-CB 3.42Å; R42-A45 PolarHBondContact O-N 2.89Å; A45-L48 PolarHBondContact O-N 2.9Å; A45-R49 WeakPolarHBondContact O-CB 3.48Å; A45-R49 PolarHBondContact O-N 3.26Å; A45-F59 HydrophobicContact CB-CE1 4.07Å; A45-F59 HydrophobicContact CB-CZ 3.69Å
46E93Very high94.7Very high97 Ų9792.6 Ų92.645%0.45347%0.468SS..Hα-helixtrans-71.3-35.9177.8-62.4-149.5117.100112.5R42 E43 L48 R49 T50R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3Å; E43-E46 PolarHBondContact O-N 3.19Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3.11Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 3.17Å; E46-R49 IonicContact OE1-NH1 2.8Å; E46-R49 PolarHBondContact OE1-NH1 3.46Å; E46-R49 IonicContact OE1-NH2 3.02Å; E46-R49 PolarHBondContact OE1-NH2 3.02Å; E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 WeakPolarHBondContact O-CG2 3.25Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.43Å
47S94.7Very high94.6Very high72 Ų7294.6 Ų94.650%0.50347%0.474SS..Hα-helixtrans-59.2-40.9169.9-174.50000111.7E43 T50 K51E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 3.06Å; S47-T50 PolarHBondContact O-OG1 3.18Å; S47-K51 WeakPolarHBondContact O-CB 3.45Å; S47-K51 PolarHBondContact O-N 3.34Å
48L94.2Very high94.5Very high86 Ų8695.3 Ų95.345%0.4548%0.479SS..Hα-helixtrans-69.3-44.1173.2-70.4167.4000112.5S44 A45 E46 T50 K51 Y52S44-L48 VanDerWaalsContact O-CG 3.26Å; S44-L48 WeakPolarHBondContact O-CG 3.46Å; S44-L48 PolarHBondContact O-N 3.3Å; A45-L48 PolarHBondContact O-N 2.9Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3.11Å; L48-T50 PolarHBondContact O-N 3.43Å; L48-K51 PolarHBondContact O-N 3.43Å; L48-Y52 HydrophobicContact CD2-CD2 4.36Å; L48-Y52 HydrophobicContact CD2-CE2 3.81Å; L48-Y52 VanDerWaalsContact O-CD2 3.32Å; L48-Y52 WeakPolarHBondContact O-CD2 3.27Å; L48-Y52 PolarHBondContact O-N 3.23Å; L48-Y52 VanDerWaalsContact O-N 3.15Å
49R94.2Very high94.5Very high67 Ų6794.8 Ų94.825%0.25347%0.474SS..Hα-helixtrans-57.4-48.7178.5-173-175.571.5-138.1-6.1111.3A45 E46 N53 I54 F59A45-R49 WeakPolarHBondContact O-CB 3.48Å; A45-R49 PolarHBondContact O-N 3.26Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 3.17Å; E46-R49 IonicContact OE1-NH1 2.8Å; E46-R49 PolarHBondContact OE1-NH1 3.46Å; E46-R49 IonicContact OE1-NH2 3.02Å; E46-R49 PolarHBondContact OE1-NH2 3.02Å; R49-N53 WeakPolarHBondContact O-CA 3.16Å; R49-N53 PolarHBondContact O-N 3.4Å; R49-I54 HydrophobicContact CG-CB 4.49Å; R49-I54 WeakPolarHBondContact CG-O 3.45Å; R49-I54 PolarHBondContact O-N 3.4Å; R49-F59 HydrophobicContact CB-CD2 4.18Å; R49-F59 HydrophobicContact CB-CE2 4.49Å; R49-F59 HydrophobicContact CG-CD2 4.48Å
50T93.8Very high94.3Very high97 Ų9795.2 Ų95.260%0.59547%0.471SS*.Hα-helixtrans-69.3-47.2179.751.10000112.1E46 S47 L48 Y52 N53E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 WeakPolarHBondContact O-CG2 3.25Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.43Å; S47-T50 PolarHBondContact O-OG1 3.18Å; L48-T50 PolarHBondContact O-N 3.43Å; T50-Y52 PolarHBondContact O-N 3.32Å; T50-N53 PolarHBondContact O-N 3.39Å; T50-N53 VanDerWaalsContact O-N 3.16Å
51K96.1Very high94.1Very high146 Ų14695.7 Ų95.764%0.63547%0.473SS*.Hα-helixtrans-57.6-32.5179177.5175.5176.3177.30114.1S47 L48S47-K51 WeakPolarHBondContact O-CB 3.45Å; S47-K51 PolarHBondContact O-N 3.34Å; L48-K51 PolarHBondContact O-N 3.43Å
52Y94.9Very high94Very high140 Ų14095.2 Ų95.255%0.54947%0.47SS..THydrogen-bonded Turntrans-107.57.2-179.7-63.4-63.4000113.9L48 T50 I54L48-Y52 HydrophobicContact CD2-CD2 4.36Å; L48-Y52 HydrophobicContact CD2-CE2 3.81Å; L48-Y52 VanDerWaalsContact O-CD2 3.32Å; L48-Y52 WeakPolarHBondContact O-CD2 3.27Å; L48-Y52 PolarHBondContact O-N 3.23Å; L48-Y52 VanDerWaalsContact O-N 3.15Å; T50-Y52 PolarHBondContact O-N 3.32Å; Y52-I54 VanDerWaalsContact C-N 3.31Å; Y52-I54 PolarHBondContact O-N 3.21Å
53N95.3Very high94Very high151 Ų15190.9 Ų90.981%0.80746%0.461SS*.THydrogen-bonded Turntrans49.845.8-179.6-164.348.1000113.9R49 T50R49-N53 WeakPolarHBondContact O-CA 3.16Å; R49-N53 PolarHBondContact O-N 3.4Å; T50-N53 PolarHBondContact O-N 3.39Å; T50-N53 VanDerWaalsContact O-N 3.16Å
54I94Very high93.9Very high48 Ų4889 Ų8925%0.24645%0.452CS..  trans-90.5136.9-177-53.3167.9000109.5R49 Y52 D58 F59 I62R49-I54 HydrophobicContact CG-CB 4.49Å; R49-I54 WeakPolarHBondContact CG-O 3.45Å; R49-I54 PolarHBondContact O-N 3.4Å; Y52-I54 VanDerWaalsContact C-N 3.31Å; Y52-I54 PolarHBondContact O-N 3.21Å; I54-D58 HydrophobicContact CG2-CB 3.82Å; I54-F59 HydrophobicContact CG2-CB 4.08Å; I54-I62 HydrophobicContact CD1-CD1 4.44Å; I54-I62 HydrophobicContact CG2-CD1 4.24Å
55T93.9Very high93.8Very high71 Ų7191 Ų9144%0.43646%0.457SS..  trans-64.4161.3173.275.80000111.3D57 D58 F59T55-D57 VanDerWaalsContact C-N 3.34Å; T55-D58 VanDerWaalsContact OG1-CB 3.26Å; T55-D58 WeakPolarHBondContact OG1-CB 3.43Å; T55-D58 PolarHBondContact OG1-N 3.13Å; T55-D58 PolarHBondContact OG1-OD2 3.41Å; T55-F59 VanDerWaalsContact O-CB 3.27Å; T55-F59 WeakPolarHBondContact O-CB 3.41Å; T55-F59 PolarHBondContact O-N 2.94Å
56I92.5Very high93.7Very high123 Ų12391.2 Ų91.263%0.63146%0.463SS*.Hα-helixtrans-63.7-42.9176.8-62.8174000110.4F59 E60I56-F59 PolarHBondContact O-N 3.42Å; I56-E60 PolarHBondContact O-N 3.35Å
57D93.2Very high93.6Very high107 Ų10792 Ų9257%0.57247%0.468SS*.Hα-helixtrans-64.2-43.8179.5-60-35.6000112.3T55 F59 E60 R61T55-D57 VanDerWaalsContact C-N 3.34Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-E60 PolarHBondContact O-N 3.44Å; D57-R61 WeakPolarHBondContact O-CB 3.26Å; D57-R61 WeakPolarHBondContact O-CG 3.35Å; D57-R61 PolarHBondContact O-N 3.24Å
58D94.1Very high93.4Very high60 Ų6094.2 Ų94.232%0.32147%0.471SS..Hα-helixtrans-71-31.4177.7-63.7-49.3000111.8I54 T55 R61 I62I54-D58 HydrophobicContact CG2-CB 3.82Å; T55-D58 VanDerWaalsContact OG1-CB 3.26Å; T55-D58 WeakPolarHBondContact OG1-CB 3.43Å; T55-D58 PolarHBondContact OG1-N 3.13Å; T55-D58 PolarHBondContact OG1-OD2 3.41Å; D58-R61 PolarHBondContact O-N 2.95Å; D58-R61 WeakPolarHBondContact OD1-CD 3.19Å; D58-R61 IonicContact OD1-CZ 2.64Å; D58-R61 IonicContact OD1-NH1 2.74Å; D58-R61 PolarHBondContact OD1-NH1 2.92Å; D58-I62 WeakPolarHBondContact O-CB 3.42Å; D58-I62 WeakPolarHBondContact O-CD1 3.37Å; D58-I62 WeakPolarHBondContact O-CG1 3.11Å; D58-I62 PolarHBondContact O-N 3.23Å
59F93.9Very high93.2Very high53 Ų5395.4 Ų95.423%0.23248%0.476CS..Hα-helixtrans-66.6-41.3171.3-169.8-91000111.9A45 R49 I54 T55 I56 D57 T63A45-F59 HydrophobicContact CB-CE1 4.07Å; A45-F59 HydrophobicContact CB-CZ 3.69Å; R49-F59 HydrophobicContact CB-CD2 4.18Å; R49-F59 HydrophobicContact CB-CE2 4.49Å; R49-F59 HydrophobicContact CG-CD2 4.48Å; I54-F59 HydrophobicContact CG2-CB 4.08Å; T55-F59 VanDerWaalsContact O-CB 3.27Å; T55-F59 WeakPolarHBondContact O-CB 3.41Å; T55-F59 PolarHBondContact O-N 2.94Å; I56-F59 PolarHBondContact O-N 3.42Å; D57-F59 VanDerWaalsContact C-N 3.33Å; F59-T63 VanDerWaalsContact O-CB 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.36Å; F59-T63 PolarHBondContact O-N 3.09Å; F59-T63 PolarHBondContact O-OG1 3.24Å
60E92.7Very high92.9Very high79 Ų79100 Ų10037%0.36950%0.497SS..Hα-helixtrans-65.6-44.2172.4-169.8174.8174.900110.9I56 D57 I62 T63 Q64 R745I56-E60 PolarHBondContact O-N 3.35Å; D57-E60 PolarHBondContact O-N 3.44Å; E60-I62 PolarHBondContact O-N 3.31Å; E60-T63 CarbonylContact O-C 3.59Å; E60-T63 WeakPolarHBondContact O-CB 3.48Å; E60-T63 PolarHBondContact O-N 3.35Å; E60-T63 VanDerWaalsContact O-N 3.12Å; E60-Q64 HydrophobicContact CG-CG 4.09Å; E60-Q64 WeakPolarHBondContact O-CB 3.33Å; E60-Q64 WeakPolarHBondContact O-CG 3.45Å; E60-Q64 PolarHBondContact O-N 3.01Å; E60-Q64 PolarHBondContact OE1-NE2 3.49Å; E60-R745 IonicContact OE1-NH2 2.97Å; E60-R745 PolarHBondContact OE1-NH2 3.39Å; E60-R745 IonicContact OE2-NH2 3.48Å
61R93.3Very high92.4Very high144 Ų14497.3 Ų97.354%0.54348%0.482SS..Hα-helixtrans-56.2-48.6175.6-71.9164.2-177.9161.81.7112D57 D58 T63 Q64 L65D57-R61 WeakPolarHBondContact O-CB 3.26Å; D57-R61 WeakPolarHBondContact O-CG 3.35Å; D57-R61 PolarHBondContact O-N 3.24Å; D58-R61 PolarHBondContact O-N 2.95Å; D58-R61 WeakPolarHBondContact OD1-CD 3.19Å; D58-R61 IonicContact OD1-CZ 2.64Å; D58-R61 IonicContact OD1-NH1 2.74Å; D58-R61 PolarHBondContact OD1-NH1 2.92Å; R61-T63 VanDerWaalsContact C-N 3.31Å; R61-T63 PolarHBondContact O-N 3.39Å; R61-Q64 PolarHBondContact O-N 2.98Å; R61-L65 WeakPolarHBondContact O-CB 3.12Å; R61-L65 VanDerWaalsContact O-CG 3.29Å; R61-L65 WeakPolarHBondContact O-CG 3.38Å; R61-L65 PolarHBondContact O-N 2.94Å
62I93.7Very high91.8Very high94 Ų9497.3 Ų97.348%0.48248%0.479SS..Hα-helixtrans-61.9-39.9176.8-71.1164.6000110.8I54 D58 E60 L65 G66I54-I62 HydrophobicContact CD1-CD1 4.44Å; I54-I62 HydrophobicContact CG2-CD1 4.24Å; D58-I62 WeakPolarHBondContact O-CB 3.42Å; D58-I62 WeakPolarHBondContact O-CD1 3.37Å; D58-I62 WeakPolarHBondContact O-CG1 3.11Å; D58-I62 PolarHBondContact O-N 3.23Å; E60-I62 PolarHBondContact O-N 3.31Å; I62-L65 PolarHBondContact O-N 3.01Å; I62-G66 PolarHBondContact O-N 2.88Å
63T92.8Very high91.4Very high61 Ų6198.1 Ų98.137%0.37449%0.485SS..Hα-helixtrans-65.3-47176.8-60.60000111.7F59 E60 R61 L65 G66 I67F59-T63 VanDerWaalsContact O-CB 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.36Å; F59-T63 PolarHBondContact O-N 3.09Å; F59-T63 PolarHBondContact O-OG1 3.24Å; E60-T63 CarbonylContact O-C 3.59Å; E60-T63 WeakPolarHBondContact O-CB 3.48Å; E60-T63 PolarHBondContact O-N 3.35Å; E60-T63 VanDerWaalsContact O-N 3.12Å; R61-T63 VanDerWaalsContact C-N 3.31Å; R61-T63 PolarHBondContact O-N 3.39Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-G66 PolarHBondContact O-N 3.38Å; T63-I67 HydrophobicContact CG2-CD1 4.12Å; T63-I67 WeakPolarHBondContact O-CG1 3.18Å; T63-I67 PolarHBondContact O-N 3.05Å
64Q93.2Very high90.7Very high90 Ų9091.5 Ų91.542%0.42145%0.451SS..Hα-helixtrans-60.4-44.5175.9-70.6-179.213.600111.6E60 R61 I67 Q68E60-Q64 HydrophobicContact CG-CG 4.09Å; E60-Q64 WeakPolarHBondContact O-CB 3.33Å; E60-Q64 WeakPolarHBondContact O-CG 3.45Å; E60-Q64 PolarHBondContact O-N 3.01Å; E60-Q64 PolarHBondContact OE1-NE2 3.49Å; R61-Q64 PolarHBondContact O-N 2.98Å; Q64-I67 PolarHBondContact O-N 3.05Å; Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 3.27Å
65L92.7Very high90.3Very high98 Ų9890 Ų9051%0.51345%0.448SS..Hα-helixtrans-61-44.6173.3-72.5170.1000111.5R61 I62 T63 I67 Q68 M69R61-L65 WeakPolarHBondContact O-CB 3.12Å; R61-L65 VanDerWaalsContact O-CG 3.29Å; R61-L65 WeakPolarHBondContact O-CG 3.38Å; R61-L65 PolarHBondContact O-N 2.94Å; I62-L65 PolarHBondContact O-N 3.01Å; T63-L65 PolarHBondContact O-N 2.97Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 PolarHBondContact O-N 3.31Å; L65-Q68 PolarHBondContact O-N 2.98Å; L65-M69 WeakPolarHBondContact O-CB 3.41Å; L65-M69 VanDerWaalsContact O-CG 3.26Å; L65-M69 WeakPolarHBondContact O-CG 3.46Å; L65-M69 PolarHBondContact O-N 2.93Å
66G91.9Very high89.8Confident32 Ų3290.5 Ų90.533%0.3345%0.451SS..Hα-helixtrans-58.1-40.4176.700000113.3I62 T63 K70I62-G66 PolarHBondContact O-N 2.88Å; T63-G66 PolarHBondContact O-N 3.38Å; G66-K70 PolarHBondContact O-N 3.44Å
67I90.7Very high89.6Confident112 Ų11285.2 Ų85.257%0.57442%0.424SS*.Hα-helixtrans-65.7-49.2173.7-67.3163.5000110.5T63 Q64 L65 M69 K70T63-I67 HydrophobicContact CG2-CD1 4.12Å; T63-I67 WeakPolarHBondContact O-CG1 3.18Å; T63-I67 PolarHBondContact O-N 3.05Å; Q64-I67 PolarHBondContact O-N 3.05Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 PolarHBondContact O-N 3.31Å; I67-M69 VanDerWaalsContact C-N 3.27Å; I67-M69 PolarHBondContact O-N 3.13Å; I67-K70 WeakPolarHBondContact O-CB 3.47Å; I67-K70 PolarHBondContact O-N 3.44Å
68Q90.1Very high89.5Confident120 Ų12086.7 Ų86.756%0.56142%0.421SS*.Hα-helixtrans-62.3-32.7179.2-70.4179.827.300113Q64 L65 Y72Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 3.27Å; L65-Q68 PolarHBondContact O-N 2.98Å; Q68-Y72 WeakPolarHBondContact O-CD2 3.29Å; Q68-Y72 WeakPolarHBondContact O-CE2 3.36Å
69M89.8Confident89.3Confident111 Ų11190.3 Ų90.355%0.54743%0.434SS..Hα-helixtrans-76.7-19.1177.7-72.2-179.180.600114L65 I67 Y72 K73L65-M69 WeakPolarHBondContact O-CB 3.41Å; L65-M69 VanDerWaalsContact O-CG 3.26Å; L65-M69 WeakPolarHBondContact O-CG 3.46Å; L65-M69 PolarHBondContact O-N 2.93Å; I67-M69 VanDerWaalsContact C-N 3.27Å; I67-M69 PolarHBondContact O-N 3.13Å; M69-Y72 PolarHBondContact O-N 3.03Å; M69-K73 PolarHBondContact O-N 3.5Å
70K87.6Confident89.2Confident162 Ų16296.1 Ų96.170%0.70446%0.46SS*.G310 helixtrans-44.7-53.8-176-173.1178.3179.7-178.60114.3G66 I67 Y72 K73G66-K70 PolarHBondContact O-N 3.44Å; I67-K70 WeakPolarHBondContact O-CB 3.47Å; I67-K70 PolarHBondContact O-N 3.44Å; K70-Y72 VanDerWaalsContact C-N 3.26Å; K70-Y72 PolarHBondContact O-N 3.37Å; K70-K73 PolarHBondContact O-N 3.35Å
71P83.5Confident89.2Confident42 Ų4293.9 Ų93.927%0.27346%0.455SS..G310 helixtrans-69.6-17.9-178.528.3-36.7000114.5
72Y84.6Confident89.1Confident145 Ų14587.3 Ų87.357%0.56943%0.432SS*.G310 helixtrans-85.1-19.8178.6-58.1-85.2000112.5Q68 M69 K70 A74 G75 K102Q68-Y72 WeakPolarHBondContact O-CD2 3.29Å; Q68-Y72 WeakPolarHBondContact O-CE2 3.36Å; M69-Y72 PolarHBondContact O-N 3.03Å; K70-Y72 VanDerWaalsContact C-N 3.26Å; K70-Y72 PolarHBondContact O-N 3.37Å; Y72-A74 PolarHBondContact O-N 3.14Å; Y72-G75 PolarHBondContact O-N 3.3Å; Y72-K102 PolarHBondContact OH-NZ 3.28Å
73K84.9Confident89.1Confident157 Ų15784.4 Ų84.468%0.68342%0.422SS*.THydrogen-bonded Turntrans-62.2-25.6176.6-68.4-175.7176.4-178.40113.3M69 K70 G75M69-K73 PolarHBondContact O-N 3.5Å; K70-K73 PolarHBondContact O-N 3.35Å; K73-G75 VanDerWaalsContact C-N 3.3Å
74A81.6Confident89.2Confident12 Ų1286.2 Ų86.210%0.09943%0.425CS..THydrogen-bonded Turntrans-83.4117600000114.2Y72 Q77 Q208 N211Y72-A74 PolarHBondContact O-N 3.14Å; A74-Q77 PolarHBondContact O-NE2 2.94Å; A74-Q77 VanDerWaalsContact O-NE2 3.09Å; A74-Q208 WeakPolarHBondContact CA-O 3.28Å; A74-Q208 HydrophobicContact CB-CB 3.97Å; A74-Q208 HydrophobicContact CB-CG 4.48Å; A74-Q208 WeakPolarHBondContact CB-O 3.41Å; A74-N211 PolarHBondContact O-OD1 3.38Å
75G85.2Confident89.2Confident16 Ų1682 Ų8217%0.16541%0.405CS..  trans86.3-161.3-179.200000114.4Y72 K73 Q77 N211Y72-G75 PolarHBondContact O-N 3.3Å; K73-G75 VanDerWaalsContact C-N 3.3Å; G75-Q77 PolarHBondContact O-N 3.39Å; G75-Q77 PolarHBondContact O-NE2 3.41Å; G75-N211 WeakPolarHBondContact CA-OD1 3.44Å
76T84.8Confident89.3Confident83 Ų8378.5 Ų78.551%0.50939%0.386SS..  trans-77.780.8-166.5570000113.7W78T76-W78 VanDerWaalsContact C-N 3.27Å; T76-W78 PolarHBondContact O-N 3.5Å
77Q87.7Confident89.5Confident12 Ų1278.5 Ų78.56%0.05638%0.381CS..THydrogen-bonded Turntrans-60.1-29-178.2-56-52.1-55.700114.6A74 G75 K79 G82 S99A74-Q77 PolarHBondContact O-NE2 2.94Å; A74-Q77 VanDerWaalsContact O-NE2 3.09Å; G75-Q77 PolarHBondContact O-N 3.39Å; G75-Q77 PolarHBondContact O-NE2 3.41Å; Q77-K79 PolarHBondContact O-N 3.45Å; Q77-G82 CarbonylContact O-C 3.6Å; Q77-G82 WeakPolarHBondContact O-CA 3.4Å; Q77-S99 WeakPolarHBondContact CB-OG 3.26Å; Q77-S99 WeakPolarHBondContact CG-OG 3.36Å
78W90.2Very high89.8Confident137 Ų13773.6 Ų73.652%0.51936%0.356SS..THydrogen-bonded Turntrans-98.125.9-173.4-64.1104.2000115.1T76 F86T76-W78 VanDerWaalsContact C-N 3.27Å; T76-W78 PolarHBondContact O-N 3.5Å; W78-F86 HydrophobicContact CH2-CB 4.37Å; W78-F86 AromaticContact CH2-CD1 3.68Å; W78-F86 HydrophobicContact CH2-CD1 3.68Å; W78-F86 AromaticContact CH2-CD2 3.86Å; W78-F86 HydrophobicContact CH2-CD2 3.86Å; W78-F86 AromaticContact CH2-CE1 3.89Å; W78-F86 HydrophobicContact CH2-CE1 3.89Å; W78-F86 HydrophobicContact CH2-CE2 4.06Å; W78-F86 AromaticContact CH2-CG 3.68Å; W78-F86 HydrophobicContact CH2-CG 3.68Å; W78-F86 HydrophobicContact CH2-CZ 4.08Å; W78-F86 HydrophobicContact CZ3-CB 4.34Å; W78-F86 AromaticContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CE1 4.22Å; W78-F86 AromaticContact CZ3-CG 3.95Å; W78-F86 HydrophobicContact CZ3-CG 3.95Å
79K91.1Very high90Very high137 Ų13768.1 Ų68.160%0.59633%0.331SS*.SBendtrans-86.7164.4161-63-63.7-173.7-179.70109.6Q77 A81 G82 A83Q77-K79 PolarHBondContact O-N 3.45Å; K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 3.14Å; K79-A81 VanDerWaalsContact O-N 3.09Å; K79-G82 PolarHBondContact O-N 2.92Å; K79-A83 PolarHBondContact O-N 2.92Å
80F91.8Very high90.4Very high174 Ų17463.8 Ų63.876%0.76331%0.31SS*.Hα-helixtrans-47.4-45.7-168.3-178.7-97000115G82 A83 F84F80-G82 PolarHBondContact O-N 3.44Å; F80-A83 PolarHBondContact O-N 2.94Å; F80-F84 WeakPolarHBondContact O-CB 3.3Å; F80-F84 PolarHBondContact O-N 3.27Å
81A91.1Very high90.8Very high33 Ų3358.1 Ų58.127%0.27329%0.287SS..Hα-helixtrans-58.7-43.8178.600000113.2K79 Y85 L213 V220K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 3.14Å; K79-A81 VanDerWaalsContact O-N 3.09Å; A81-Y85 WeakPolarHBondContact O-CB 3.33Å; A81-Y85 PolarHBondContact O-N 2.97Å; A81-L213 HydrophobicContact CB-CD1 4.2Å; A81-V220 HydrophobicContact CB-CG1 4.38Å
82G91.5Very high91.4Very high6 Ų656.3 Ų56.36%0.06228%0.275CS..Hα-helixtrans-77-33.6177.800000113.8Q77 K79 F80 F84 Y85 F86Q77-G82 CarbonylContact O-C 3.6Å; Q77-G82 WeakPolarHBondContact O-CA 3.4Å; K79-G82 PolarHBondContact O-N 2.92Å; F80-G82 PolarHBondContact O-N 3.44Å; G82-F84 VanDerWaalsContact C-N 3.33Å; G82-Y85 PolarHBondContact O-N 3.44Å; G82-F86 VanDerWaalsContact O-CB 3.31Å; G82-F86 WeakPolarHBondContact O-CB 3.44Å; G82-F86 PolarHBondContact O-N 2.9Å
83A94.4Very high92Very high32 Ų3252.4 Ų52.426%0.26427%0.267SS..Hα-helixtrans-62.4-40.8169.900000111.5K79 F80 F86 S87K79-A83 PolarHBondContact O-N 2.92Å; F80-A83 PolarHBondContact O-N 2.94Å; A83-F86 PolarHBondContact O-N 3.47Å; A83-S87 WeakPolarHBondContact O-CB 3.49Å; A83-S87 PolarHBondContact O-N 3.2Å; A83-S87 PolarHBondContact O-OG 3.08Å
84F94.3Very high92.5Very high100 Ų10045.1 Ų45.144%0.43924%0.235SC..Hα-helixtrans-67.9-41.1175.4-171.8-86.9000112.3F80 G82 S87 T88 L224F80-F84 WeakPolarHBondContact O-CB 3.3Å; F80-F84 PolarHBondContact O-N 3.27Å; G82-F84 VanDerWaalsContact C-N 3.33Å; F84-S87 PolarHBondContact O-N 3.05Å; F84-T88 WeakPolarHBondContact O-CB 3.33Å; F84-T88 PolarHBondContact O-N 3.29Å; F84-T88 PolarHBondContact O-OG1 3.4Å; F84-L224 HydrophobicContact CD1-CD1 3.67Å; F84-L224 HydrophobicContact CD1-CD2 3.98Å; F84-L224 HydrophobicContact CD1-CG 4.49Å; F84-L224 HydrophobicContact CE1-CD1 3.8Å; F84-L224 HydrophobicContact CE1-CD2 3.99Å; F84-L224 HydrophobicContact CE1-CG 4.47Å
85Y93.8Very high93.2Very high1 Ų147 Ų470%0.00426%0.256CS..Hα-helixtrans-61-47.6173-174.2-118.3000111.5A81 G82 T88 T89 Y96 H98 V205 L207 L224 I227A81-Y85 WeakPolarHBondContact O-CB 3.33Å; A81-Y85 PolarHBondContact O-N 2.97Å; G82-Y85 PolarHBondContact O-N 3.44Å; Y85-T88 WeakPolarHBondContact O-CB 3.37Å; Y85-T88 PolarHBondContact O-N 3.07Å; Y85-T89 WeakPolarHBondContact O-CG2 3.46Å; Y85-T89 PolarHBondContact O-N 3.48Å; Y85-Y96 HydrophobicContact CE1-CD2 4.45Å; Y85-Y96 HydrophobicContact CE1-CE2 4.42Å; Y85-Y96 AromaticContact CZ-CE2 3.87Å; Y85-Y96 VanDerWaalsContact OH-CE2 3.29Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.34Å; Y85-H98 AromaticContact CE1-CE1 3.75Å; Y85-H98 AromaticContact CE1-NE2 3.93Å; Y85-V205 HydrophobicContact CE1-CG1 4.06Å; Y85-L207 HydrophobicContact CD2-CD1 4.08Å; Y85-L207 HydrophobicContact CE2-CD1 4.04Å; Y85-L207 HydrophobicContact CG-CD1 4.35Å; Y85-L224 HydrophobicContact CD2-CD2 3.99Å; Y85-I227 HydrophobicContact CE2-CD1 3.99Å
86F95.1Very high93.7Very high25 Ų2546.6 Ų46.611%0.1125%0.249CC..Hα-helixtrans-56.6-53.6173.2173.2-97.6000111.7W78 G82 A83 T88 T89 V90 S99 P101W78-F86 HydrophobicContact CH2-CB 4.37Å; W78-F86 AromaticContact CH2-CD1 3.68Å; W78-F86 HydrophobicContact CH2-CD1 3.68Å; W78-F86 AromaticContact CH2-CD2 3.86Å; W78-F86 HydrophobicContact CH2-CD2 3.86Å; W78-F86 AromaticContact CH2-CE1 3.89Å; W78-F86 HydrophobicContact CH2-CE1 3.89Å; W78-F86 HydrophobicContact CH2-CE2 4.06Å; W78-F86 AromaticContact CH2-CG 3.68Å; W78-F86 HydrophobicContact CH2-CG 3.68Å; W78-F86 HydrophobicContact CH2-CZ 4.08Å; W78-F86 HydrophobicContact CZ3-CB 4.34Å; W78-F86 AromaticContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CD1 3.74Å; W78-F86 HydrophobicContact CZ3-CE1 4.22Å; W78-F86 AromaticContact CZ3-CG 3.95Å; W78-F86 HydrophobicContact CZ3-CG 3.95Å; G82-F86 VanDerWaalsContact O-CB 3.31Å; G82-F86 WeakPolarHBondContact O-CB 3.44Å; G82-F86 PolarHBondContact O-N 2.9Å; A83-F86 PolarHBondContact O-N 3.47Å; F86-T88 VanDerWaalsContact C-N 3.26Å; F86-T88 PolarHBondContact O-N 2.82Å; F86-T89 PolarHBondContact O-N 3.35Å; F86-T89 PolarHBondContact O-OG1 3.05Å; F86-V90 HydrophobicContact CD1-CG2 4.38Å; F86-V90 HydrophobicContact CE1-CG2 3.88Å; F86-V90 HydrophobicContact CE2-CG2 4.02Å; F86-V90 HydrophobicContact CZ-CG2 3.68Å; F86-V90 WeakPolarHBondContact O-CG2 3.24Å; F86-V90 PolarHBondContact O-N 2.65Å; F86-S99 WeakPolarHBondContact CD2-O 3.34Å; F86-S99 WeakPolarHBondContact CE2-O 3.31Å; F86-P101 HydrophobicContact CZ-CG 4.41Å
87S96.6Very high94.1Very high32 Ų3244.9 Ų44.922%0.22425%0.248CC..Hα-helixtrans-54.8-40.9176.8-78.90000112.6A83 F84 V90 I91A83-S87 WeakPolarHBondContact O-CB 3.49Å; A83-S87 PolarHBondContact O-N 3.2Å; A83-S87 PolarHBondContact O-OG 3.08Å; F84-S87 PolarHBondContact O-N 3.05Å; S87-V90 PolarHBondContact O-N 3.5Å; S87-I91 PolarHBondContact O-N 3.1Å; S87-I91 VanDerWaalsContact O-N 3.14Å
88T95.5Very high94.2Very high9 Ų945.8 Ų45.86%0.05525%0.253CS..Hα-helixtrans-58.9-53.7173.5-55.70000110.2F84 Y85 F86 V90 I91 T92 L224F84-T88 WeakPolarHBondContact O-CB 3.33Å; F84-T88 PolarHBondContact O-N 3.29Å; F84-T88 PolarHBondContact O-OG1 3.4Å; Y85-T88 WeakPolarHBondContact O-CB 3.37Å; Y85-T88 PolarHBondContact O-N 3.07Å; F86-T88 VanDerWaalsContact C-N 3.26Å; F86-T88 PolarHBondContact O-N 2.82Å; T88-V90 PolarHBondContact O-N 3.07Å; T88-V90 VanDerWaalsContact O-N 3.14Å; T88-I91 WeakPolarHBondContact O-CG1 3.49Å; T88-I91 PolarHBondContact O-N 3.38Å; T88-I91 VanDerWaalsContact O-N 3.17Å; T88-T92 HydrophobicContact CG2-CG2 4.03Å; T88-T92 WeakPolarHBondContact O-CG2 3.46Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.8Å; T88-L224 HydrophobicContact CG2-CD2 4.24Å
89T95.5Very high94.2Very high5 Ų539.8 Ų39.83%0.03123%0.231CC..Hα-helixtrans-62.4-23.3-177.962.60000114.4Y85 F86 T93 I94 G95 Y96Y85-T89 WeakPolarHBondContact O-CG2 3.46Å; Y85-T89 PolarHBondContact O-N 3.48Å; F86-T89 PolarHBondContact O-N 3.35Å; F86-T89 PolarHBondContact O-OG1 3.05Å; T89-T93 PolarHBondContact O-N 3.35Å; T89-I94 PolarHBondContact O-N 3.2Å; T89-G95 PolarHBondContact O-N 3.39Å; T89-Y96 HydrophobicContact CG2-CD2 3.52Å; T89-Y96 HydrophobicContact CG2-CE2 3.73Å
90V97.1Very high94.3Very high20 Ų2036.7 Ų36.712%0.12122%0.224CC..Hα-helixtrans-75.8-51.8172.7174.40000111.2F86 S87 T88 T92 T93 Y113 A114F86-V90 HydrophobicContact CD1-CG2 4.38Å; F86-V90 HydrophobicContact CE1-CG2 3.88Å; F86-V90 HydrophobicContact CE2-CG2 4.02Å; F86-V90 HydrophobicContact CZ-CG2 3.68Å; F86-V90 WeakPolarHBondContact O-CG2 3.24Å; F86-V90 PolarHBondContact O-N 2.65Å; S87-V90 PolarHBondContact O-N 3.5Å; T88-V90 PolarHBondContact O-N 3.07Å; T88-V90 VanDerWaalsContact O-N 3.14Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 3.42Å; V90-T93 PolarHBondContact O-N 2.7Å; V90-Y113 HydrophobicContact CB-CE1 4.44Å; V90-Y113 HydrophobicContact CG1-CD1 4.04Å; V90-Y113 HydrophobicContact CG1-CE1 4.36Å; V90-A114 HydrophobicContact CG1-CB 3.99Å
91I96.8Very high94.5Very high42 Ų4229.7 Ų29.722%0.21520%0.196CC..Hα-helixtrans-71.5-28.7-177.766.9177.3000112.9S87 T88 T93 Y113 C121S87-I91 PolarHBondContact O-N 3.1Å; S87-I91 VanDerWaalsContact O-N 3.14Å; T88-I91 WeakPolarHBondContact O-CG1 3.49Å; T88-I91 PolarHBondContact O-N 3.38Å; T88-I91 VanDerWaalsContact O-N 3.17Å; I91-T93 VanDerWaalsContact C-N 3.27Å; I91-Y113 HydrophobicContact CG2-CD1 4.35Å; I91-Y113 HydrophobicContact CG2-CE1 3.53Å; I91-C121 HydrophobicContact CB-CB 4.2Å; I91-C121 WeakPolarHBondContact O-CB 3.28Å; I91-C121 PolarHBondContact O-SG 3.38Å
92T95.7Very high94.6Very high4 Ų433.7 Ų33.73%0.02521%0.207CC..THydrogen-bonded Turntrans-87.17.7174.168.30000113.2T88 V90 I94 F125 T198 L231T88-T92 HydrophobicContact CG2-CG2 4.03Å; T88-T92 WeakPolarHBondContact O-CG2 3.46Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.8Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 3.42Å; T92-I94 PolarHBondContact O-N 2.94Å; T92-I94 VanDerWaalsContact OG1-CD1 3.24Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.32Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.4Å; T92-F125 HydrophobicContact CG2-CE2 4.02Å; T92-F125 HydrophobicContact CG2-CZ 4.16Å; T92-T198 WeakPolarHBondContact O-CG2 3.35Å; T92-L231 HydrophobicContact CG2-CD1 3.73Å
93T96.8Very high94.8Very high64 Ų6437.5 Ų37.539%0.39323%0.23SC..THydrogen-bonded Turntrans49.331.3-179.262.70000115.3T89 V90 I91 I118T89-T93 PolarHBondContact O-N 3.35Å; V90-T93 PolarHBondContact O-N 2.7Å; I91-T93 VanDerWaalsContact C-N 3.27Å; T93-I118 HydrophobicContact CG2-CB 4.37Å; T93-I118 HydrophobicContact CG2-CD1 3.66Å; T93-I118 HydrophobicContact CG2-CG1 3.71Å; T93-I118 HydrophobicContact CG2-CG2 3.73Å
94I96.6Very high94.9Very high4 Ų443.5 Ų43.52%0.02125%0.25CS..  trans-81.5-43175.5-63.6167.5000110.2T89 T92 Y96 T195 T198 G200 I227 L231T89-I94 PolarHBondContact O-N 3.2Å; T92-I94 PolarHBondContact O-N 2.94Å; T92-I94 VanDerWaalsContact OG1-CD1 3.24Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.32Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.4Å; I94-Y96 HydrophobicContact CG2-CD1 3.72Å; I94-Y96 HydrophobicContact CG2-CD2 4.01Å; I94-Y96 HydrophobicContact CG2-CE1 3.54Å; I94-Y96 HydrophobicContact CG2-CE2 3.83Å; I94-Y96 HydrophobicContact CG2-CG 3.95Å; I94-Y96 PolarHBondContact O-N 3.42Å; I94-T195 HydrophobicContact CD1-CG2 4.16Å; I94-T198 HydrophobicContact CG1-CG2 4.05Å; I94-G200 WeakPolarHBondContact O-CA 3.49Å; I94-I227 HydrophobicContact CD1-CG2 3.75Å; I94-L231 HydrophobicContact CD1-CD1 4.32Å
95G95.1Very high95.1Very high52 Ų5241 Ų4154%0.53625%0.252SS..  trans64.521.9164.600000118.9T89 G97T89-G95 PolarHBondContact O-N 3.39Å; G95-G97 PolarHBondContact O-N 3.43Å
96Y95.3Very high95.2Very high6 Ų642 Ų422%0.02426%0.262CS..  trans-37.5-12.8-174.4-65.9-56.9000120.7Y85 T89 I94 H98 Y191 T195 G200 G202 V205Y85-Y96 HydrophobicContact CE1-CD2 4.45Å; Y85-Y96 HydrophobicContact CE1-CE2 4.42Å; Y85-Y96 AromaticContact CZ-CE2 3.87Å; Y85-Y96 VanDerWaalsContact OH-CE2 3.29Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.34Å; T89-Y96 HydrophobicContact CG2-CD2 3.52Å; T89-Y96 HydrophobicContact CG2-CE2 3.73Å; I94-Y96 HydrophobicContact CG2-CD1 3.72Å; I94-Y96 HydrophobicContact CG2-CD2 4.01Å; I94-Y96 HydrophobicContact CG2-CE1 3.54Å; I94-Y96 HydrophobicContact CG2-CE2 3.83Å; I94-Y96 HydrophobicContact CG2-CG 3.95Å; I94-Y96 PolarHBondContact O-N 3.42Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.29Å; Y96-H98 PolarHBondContact O-N 3.37Å; Y96-Y191 HydrophobicContact CE1-CE2 4.02Å; Y96-Y191 AromaticContact CZ-CE2 3.9Å; Y96-Y191 VanDerWaalsContact OH-CE2 3.32Å; Y96-Y191 WeakPolarHBondContact OH-CE2 3.31Å; Y96-Y191 PolarHBondContact OH-OH 2.92Å; Y96-Y191 VanDerWaalsContact OH-OH 3.05Å; Y96-T195 WeakPolarHBondContact OH-CG2 3.36Å; Y96-T195 PolarHBondContact OH-OG1 3.05Å; Y96-G200 WeakPolarHBondContact CA-O 3.26Å; Y96-G202 VanDerWaalsContact O-CA 3.25Å; Y96-G202 WeakPolarHBondContact O-CA 3.39Å; Y96-V205 HydrophobicContact CD1-CG2 4.09Å; Y96-V205 HydrophobicContact CD2-CG1 4.09Å; Y96-V205 HydrophobicContact CE2-CG1 4.33Å; Y96-V205 HydrophobicContact CG-CG1 4.33Å; Y96-V205 HydrophobicContact CG-CG2 4.08Å
97G93.5Very high95.3Very high47 Ų4743.6 Ų43.649%0.48527%0.27SS..SBendtrans69.8-20.7174.900000117.6G95 S99G95-G97 PolarHBondContact O-N 3.43Å; G97-S99 PolarHBondContact O-N 3.44Å; G97-S99 VanDerWaalsContact O-N 3.14Å
98H90.4Very high95.4Very high32 Ų3245.7 Ų45.715%0.14828%0.278CS..SBendtrans-54.3-35.1-179.473.7-78.1000113.1Y85 Y96 V205 Q208Y85-H98 AromaticContact CE1-CE1 3.75Å; Y85-H98 AromaticContact CE1-NE2 3.93Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.29Å; Y96-H98 PolarHBondContact O-N 3.37Å; H98-V205 HydrophobicContact CB-CG2 4.24Å; H98-Q208 PolarHBondContact CD2-NE2 2.98Å; H98-Q208 PolarHBondContact CD2-OE1 3.17Å
99S90.3Very high95.5Very high10 Ų1051.8 Ų51.87%0.0730%0.303CS..SBendtrans-124.7121.6172.9-64.90000109.2Q77 F86 G97Q77-S99 WeakPolarHBondContact CB-OG 3.26Å; Q77-S99 WeakPolarHBondContact CG-OG 3.36Å; F86-S99 WeakPolarHBondContact CD2-O 3.34Å; F86-S99 WeakPolarHBondContact CE2-O 3.31Å; G97-S99 PolarHBondContact O-N 3.44Å; G97-S99 VanDerWaalsContact O-N 3.14Å
100T93.7Very high95.6Very high73 Ų7352.7 Ų52.745%0.44831%0.31SS..  trans-134.2148.3179.446.80000111.7K102T100-K102 PolarHBondContact O-N 3.32Å; T100-K102 VanDerWaalsContact O-N 3.09Å
101P95Very high95.6Very high27 Ų2757.8 Ų57.818%0.17533%0.334CS..  trans-70.4106.2179.327.4-33.1000110.4F86 K107 C110F86-P101 HydrophobicContact CZ-CG 4.41Å; P101-K107 HydrophobicContact CB-CG 4.39Å; P101-K107 HydrophobicContact CG-CG 4.23Å; P101-K107 VanDerWaalsContact O-CE 3.25Å; P101-K107 WeakPolarHBondContact O-CE 3.22Å; P101-K107 VanDerWaalsContact O-CG 3.27Å; P101-K107 WeakPolarHBondContact O-CG 3.14Å; P101-C110 HydrophobicContact CG-CB 4.17Å
102K92.7Very high95.7Very high116 Ų11659.5 Ų59.550%0.50435%0.349SS..  trans-74.4-34.5177.7-64.2-171.4177.7-174.80112.6Y72 T100 K107Y72-K102 PolarHBondContact OH-NZ 3.28Å; T100-K102 PolarHBondContact O-N 3.32Å; T100-K102 VanDerWaalsContact O-N 3.09Å; K102-K107 PolarHBondContact O-NZ 3.33Å
103T96.2Very high95.8Very high87 Ų8762.8 Ų62.853%0.53436%0.361SS..SBendtrans-75.9149.9-176.460.30000112.8G106 K107T103-G106 PolarHBondContact O-N 2.93Å; T103-G106 PolarHBondContact OG1-N 2.87Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 2.9Å
104F97.2Very high95.8Very high158 Ų15860.7 Ų60.769%0.69335%0.35SS*.Hα-helixtrans-56.2-52.7177.1178.2-105.6000112.4G106 K107 I108F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 3.21Å; F104-K107 PolarHBondContact O-N 3.13Å; F104-K107 VanDerWaalsContact O-N 3.17Å; F104-I108 HydrophobicContact CD1-CD1 4.04Å; F104-I108 HydrophobicContact CD2-CD1 4.48Å; F104-I108 HydrophobicContact CE1-CD1 3.51Å; F104-I108 HydrophobicContact CE2-CD1 4Å; F104-I108 HydrophobicContact CZ-CD1 3.49Å; F104-I108 VanDerWaalsContact CZ-CD1 3.49Å; F104-I108 PolarHBondContact O-N 3.37Å; F104-I108 VanDerWaalsContact O-N 3.11Å
105G97.6Very high95.8Very high47 Ų4766.9 Ų66.949%0.48538%0.383SS..Hα-helixtrans-61.4-35.1176.600000113.6F109G105-F109 VanDerWaalsContact O-CB 3.26Å; G105-F109 WeakPolarHBondContact O-CB 3.24Å; G105-F109 PolarHBondContact O-N 2.96Å
106G96.7Very high95.9Very high21 Ų2167.7 Ų67.722%0.21638%0.379CS..Hα-helixtrans-66.2-36.8175.400000113.1T103 F104 C110T103-G106 PolarHBondContact O-N 2.93Å; T103-G106 PolarHBondContact OG1-N 2.87Å; F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 3.21Å; G106-C110 VanDerWaalsContact O-CB 3.28Å; G106-C110 WeakPolarHBondContact O-CB 3.25Å; G106-C110 PolarHBondContact O-N 3.33Å
107K97.6Very high95.9Very high60 Ų6068 Ų6826%0.26138%0.383SS..Hα-helixtrans-66.3-49.5175.2-71.6166.4173.5166.80111.3P101 K102 T103 F104 C110 M111 Y741P101-K107 HydrophobicContact CB-CG 4.39Å; P101-K107 HydrophobicContact CG-CG 4.23Å; P101-K107 VanDerWaalsContact O-CE 3.25Å; P101-K107 WeakPolarHBondContact O-CE 3.22Å; P101-K107 VanDerWaalsContact O-CG 3.27Å; P101-K107 WeakPolarHBondContact O-CG 3.14Å; K102-K107 PolarHBondContact O-NZ 3.33Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 2.9Å; F104-K107 PolarHBondContact O-N 3.13Å; F104-K107 VanDerWaalsContact O-N 3.17Å; K107-C110 WeakPolarHBondContact O-CB 3.48Å; K107-C110 PolarHBondContact O-N 3.25Å; K107-M111 WeakPolarHBondContact O-CG 3.44Å; K107-M111 PolarHBondContact O-N 2.69Å; K107-M111 VanDerWaalsContact O-N 3.07Å; K107-Y741 PolarHBondContact NZ-OH 3.42Å
108I98.1Very high96.1Very high76 Ų7668 Ų6839%0.3937%0.372SS..Hα-helixtrans-60.4-48177.1-67.6174.7000110.6F104 C110 M111 C112F104-I108 HydrophobicContact CD1-CD1 4.04Å; F104-I108 HydrophobicContact CD2-CD1 4.48Å; F104-I108 HydrophobicContact CE1-CD1 3.51Å; F104-I108 HydrophobicContact CE2-CD1 4Å; F104-I108 HydrophobicContact CZ-CD1 3.49Å; F104-I108 VanDerWaalsContact CZ-CD1 3.49Å; F104-I108 PolarHBondContact O-N 3.37Å; F104-I108 VanDerWaalsContact O-N 3.11Å; I108-C110 VanDerWaalsContact C-N 3.3Å; I108-C110 PolarHBondContact O-N 3.24Å; I108-M111 WeakPolarHBondContact O-CB 3.45Å; I108-M111 PolarHBondContact O-N 2.74Å; I108-M111 VanDerWaalsContact O-N 3.15Å; I108-C112 PolarHBondContact O-N 2.85Å; I108-C112 PolarHBondContact O-SG 3.33Å; I108-C112 VanDerWaalsContact O-SG 3.39Å
109F97.8Very high96.4Very high136 Ų13669.5 Ų69.560%0.59638%0.384SS*.Hα-helixtrans-58.3-42176.7-179.1-97.2000112G105 M111 C112 Y113G105-F109 VanDerWaalsContact O-CB 3.26Å; G105-F109 WeakPolarHBondContact O-CB 3.24Å; G105-F109 PolarHBondContact O-N 2.96Å; F109-M111 VanDerWaalsContact C-N 3.34Å; F109-M111 PolarHBondContact O-N 2.85Å; F109-C112 PolarHBondContact O-N 2.97Å; F109-Y113 HydrophobicContact CE1-CG 4.45Å; F109-Y113 HydrophobicContact CZ-CD2 4.48Å; F109-Y113 WeakPolarHBondContact O-CB 3.43Å; F109-Y113 PolarHBondContact O-N 2.87Å
110C97.6Very high96.6Very high25 Ų2574.6 Ų74.617%0.16941%0.41CS..Hα-helixtrans-61.5-39.9176.9-168.10000112.6P101 G106 K107 I108 Y113 A114P101-C110 HydrophobicContact CG-CB 4.17Å; G106-C110 VanDerWaalsContact O-CB 3.28Å; G106-C110 WeakPolarHBondContact O-CB 3.25Å; G106-C110 PolarHBondContact O-N 3.33Å; K107-C110 WeakPolarHBondContact O-CB 3.48Å; K107-C110 PolarHBondContact O-N 3.25Å; I108-C110 VanDerWaalsContact C-N 3.3Å; I108-C110 PolarHBondContact O-N 3.24Å; C110-Y113 PolarHBondContact O-N 3.01Å; C110-A114 WeakPolarHBondContact O-CB 3.27Å; C110-A114 PolarHBondContact O-N 3.41Å
111M97.5Very high96.7Very high126 Ų12671.5 Ų71.562%0.62139%0.391SS*.Hα-helixtrans-64.5-50.1174.9-65166.7-179.500111.1K107 I108 F109 Y113 A114 L115K107-M111 WeakPolarHBondContact O-CG 3.44Å; K107-M111 PolarHBondContact O-N 2.69Å; K107-M111 VanDerWaalsContact O-N 3.07Å; I108-M111 WeakPolarHBondContact O-CB 3.45Å; I108-M111 PolarHBondContact O-N 2.74Å; I108-M111 VanDerWaalsContact O-N 3.15Å; F109-M111 VanDerWaalsContact C-N 3.34Å; F109-M111 PolarHBondContact O-N 2.85Å; M111-Y113 VanDerWaalsContact C-N 3.27Å; M111-Y113 PolarHBondContact O-N 3.4Å; M111-A114 PolarHBondContact O-N 2.91Å; M111-L115 WeakPolarHBondContact O-CG 3.49Å; M111-L115 PolarHBondContact O-N 3.2Å
112C97.7Very high96.6Very high78 Ų7875.3 Ų75.353%0.52741%0.41SS..Hα-helixtrans-64.4-28.6178.4-63.60000113.4I108 F109 P116I108-C112 PolarHBondContact O-N 2.85Å; I108-C112 PolarHBondContact O-SG 3.33Å; I108-C112 VanDerWaalsContact O-SG 3.39Å; F109-C112 PolarHBondContact O-N 2.97Å; C112-P116 WeakPolarHBondContact O-CD 3.48Å
113Y97.8Very high96.7Very high73 Ų7373.6 Ų73.629%0.28641%0.405SS..Hα-helixtrans-78.1-40.5177179-109.7000112.4V90 I91 F109 C110 M111 P116 G117V90-Y113 HydrophobicContact CB-CE1 4.44Å; V90-Y113 HydrophobicContact CG1-CD1 4.04Å; V90-Y113 HydrophobicContact CG1-CE1 4.36Å; I91-Y113 HydrophobicContact CG2-CD1 4.35Å; I91-Y113 HydrophobicContact CG2-CE1 3.53Å; F109-Y113 HydrophobicContact CE1-CG 4.45Å; F109-Y113 HydrophobicContact CZ-CD2 4.48Å; F109-Y113 WeakPolarHBondContact O-CB 3.43Å; F109-Y113 PolarHBondContact O-N 2.87Å; C110-Y113 PolarHBondContact O-N 3.01Å; M111-Y113 VanDerWaalsContact C-N 3.27Å; M111-Y113 PolarHBondContact O-N 3.4Å; Y113-P116 WeakPolarHBondContact O-CD 3.45Å; Y113-G117 WeakPolarHBondContact O-CA 3.46Å; Y113-G117 PolarHBondContact O-N 3.45Å
114A97.3Very high96.6Very high20 Ų2073.1 Ų73.117%0.16540%0.398CS..Hα-helixtrans-65.9-39.7179.500000112.8V90 C110 M111 G117 I118V90-A114 HydrophobicContact CG1-CB 3.99Å; C110-A114 WeakPolarHBondContact O-CB 3.27Å; C110-A114 PolarHBondContact O-N 3.41Å; M111-A114 PolarHBondContact O-N 2.91Å; A114-G117 PolarHBondContact O-N 3.16Å; A114-I118 HydrophobicContact CB-CD1 3.99Å; A114-I118 WeakPolarHBondContact O-CG1 3.05Å; A114-I118 PolarHBondContact O-N 3.37Å
115L96.5Very high96.5Very high134 Ų13466.4 Ų66.470%0.70237%0.368SS*.Hα-helixtrans-53.4-52-176.4-78.7169.2000114.5M111 P119M111-L115 WeakPolarHBondContact O-CG 3.49Å; M111-L115 PolarHBondContact O-N 3.2Å; L115-P119 WeakPolarHBondContact O-CD 3.31Å; L115-P119 WeakPolarHBondContact O-CG 3.25Å
116P96.7Very high96.1Very high70 Ų7068.2 Ų68.246%0.45536%0.364SS..Hα-helixtrans-84.5-29.3171.133-34.6000112.7C112 Y113 P119 L120C112-P116 WeakPolarHBondContact O-CD 3.48Å; Y113-P116 WeakPolarHBondContact O-CD 3.45Å; P116-P119 WeakPolarHBondContact O-CD 3.37Å; P116-L120 WeakPolarHBondContact O-CB 3.12Å; P116-L120 WeakPolarHBondContact O-CD1 3.47Å; P116-L120 VanDerWaalsContact O-CG 3.24Å; P116-L120 WeakPolarHBondContact O-CG 3.38Å; P116-L120 PolarHBondContact O-N 2.85Å
117G97.1Very high96Very high11 Ų1170 Ų7011%0.11337%0.373CS..Hα-helixtrans-63.6-44.1-173.900000113.6Y113 A114 L120 C121Y113-G117 WeakPolarHBondContact O-CA 3.46Å; Y113-G117 PolarHBondContact O-N 3.45Å; A114-G117 PolarHBondContact O-N 3.16Å; G117-L120 PolarHBondContact O-N 2.9Å; G117-C121 VanDerWaalsContact O-CB 3.23Å; G117-C121 WeakPolarHBondContact O-CB 3.45Å; G117-C121 PolarHBondContact O-N 3.25Å
118I96.8Very high95.8Very high48 Ų4870.2 Ų70.225%0.24638%0.376CS..Hα-helixtrans-67.8-49.7-178.2-64165.1000111.5T93 A114 L120 C121 L122T93-I118 HydrophobicContact CG2-CB 4.37Å; T93-I118 HydrophobicContact CG2-CD1 3.66Å; T93-I118 HydrophobicContact CG2-CG1 3.71Å; T93-I118 HydrophobicContact CG2-CG2 3.73Å; A114-I118 HydrophobicContact CB-CD1 3.99Å; A114-I118 WeakPolarHBondContact O-CG1 3.05Å; A114-I118 PolarHBondContact O-N 3.37Å; I118-L120 VanDerWaalsContact C-N 3.34Å; I118-L120 PolarHBondContact O-N 3.45Å; I118-C121 WeakPolarHBondContact O-CB 3.38Å; I118-C121 PolarHBondContact O-N 3.38Å; I118-L122 HydrophobicContact CG2-CD1 4.01Å; I118-L122 HydrophobicContact CG2-CG 4.39Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.88Å
119P96.6Very high95.6Very high64 Ų6466.6 Ų66.642%0.41636%0.358SS..Hα-helixtrans-57.1-41.8173.7-27.435.7000114L115 P116 C121 L122 I123L115-P119 WeakPolarHBondContact O-CD 3.31Å; L115-P119 WeakPolarHBondContact O-CG 3.25Å; P116-P119 WeakPolarHBondContact O-CD 3.37Å; P119-C121 VanDerWaalsContact C-N 3.35Å; P119-L122 PolarHBondContact O-N 2.91Å; P119-I123 WeakPolarHBondContact O-CB 3.41Å; P119-I123 WeakPolarHBondContact O-CD1 3.24Å; P119-I123 VanDerWaalsContact O-CG1 3.27Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.33Å
120L95.8Very high95.3Very high117 Ų11763 Ų6361%0.61334%0.343SS*.Hα-helixtrans-63-41.8176-72.6170.7000111.7P116 G117 I118 I123 M124P116-L120 WeakPolarHBondContact O-CB 3.12Å; P116-L120 WeakPolarHBondContact O-CD1 3.47Å; P116-L120 VanDerWaalsContact O-CG 3.24Å; P116-L120 WeakPolarHBondContact O-CG 3.38Å; P116-L120 PolarHBondContact O-N 2.85Å; G117-L120 PolarHBondContact O-N 2.9Å; I118-L120 VanDerWaalsContact C-N 3.34Å; I118-L120 PolarHBondContact O-N 3.45Å; L120-I123 PolarHBondContact O-N 2.82Å; L120-M124 VanDerWaalsContact O-CB 3.29Å; L120-M124 WeakPolarHBondContact O-CB 3.41Å; L120-M124 PolarHBondContact O-N 2.84Å
121C94.7Very high95.1Very high7 Ų770.3 Ų70.35%0.04737%0.367CS..Hα-helixtrans-64.5-43.4177.6-166.70000112.3I91 G117 I118 P119 M124 F125I91-C121 HydrophobicContact CB-CB 4.2Å; I91-C121 WeakPolarHBondContact O-CB 3.28Å; I91-C121 PolarHBondContact O-SG 3.38Å; G117-C121 VanDerWaalsContact O-CB 3.23Å; G117-C121 WeakPolarHBondContact O-CB 3.45Å; G117-C121 PolarHBondContact O-N 3.25Å; I118-C121 WeakPolarHBondContact O-CB 3.38Å; I118-C121 PolarHBondContact O-N 3.38Å; P119-C121 VanDerWaalsContact C-N 3.35Å; C121-M124 WeakPolarHBondContact O-CB 3.37Å; C121-M124 PolarHBondContact O-N 3.3Å; C121-F125 WeakPolarHBondContact O-CD2 3.45Å; C121-F125 PolarHBondContact O-N 3.45Å; C121-F125 WeakPolarHBondContact SG-CE2 3.37Å
122L93.4Very high94.9Very high108 Ų10865.4 Ų65.457%0.56534%0.343SS*.Hα-helixtrans-63.5-45.6176-69.5171.3000112I118 P119 M124 F125 Q126I118-L122 HydrophobicContact CG2-CD1 4.01Å; I118-L122 HydrophobicContact CG2-CG 4.39Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.88Å; P119-L122 PolarHBondContact O-N 2.91Å; L122-M124 VanDerWaalsContact C-N 3.33Å; L122-M124 PolarHBondContact O-N 2.86Å; L122-F125 PolarHBondContact O-N 3.16Å; L122-Q126 PolarHBondContact O-N 3.32Å
123I94.2Very high94.6Very high79 Ų7962.1 Ų62.141%0.40532%0.32SS..Hα-helixtrans-63.2-40.5176.3-68166000110.8P119 L120 S127 L395P119-I123 WeakPolarHBondContact O-CB 3.41Å; P119-I123 WeakPolarHBondContact O-CD1 3.24Å; P119-I123 VanDerWaalsContact O-CG1 3.27Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.33Å; L120-I123 PolarHBondContact O-N 2.82Å; I123-S127 VanDerWaalsContact O-CB 3.26Å; I123-S127 WeakPolarHBondContact O-CB 3.37Å; I123-S127 PolarHBondContact O-N 2.93Å; I123-S127 PolarHBondContact O-OG 3.39Å; I123-L395 HydrophobicContact CD1-CD2 4.19Å
124M94.7Very high94.4Very high78 Ų7863.1 Ų63.138%0.38433%0.334SS..Hα-helixtrans-59.8-55.2174.4178.4-165.572.100110.9L120 C121 L122 Q126 S127 I128L120-M124 VanDerWaalsContact O-CB 3.29Å; L120-M124 WeakPolarHBondContact O-CB 3.41Å; L120-M124 PolarHBondContact O-N 2.84Å; C121-M124 WeakPolarHBondContact O-CB 3.37Å; C121-M124 PolarHBondContact O-N 3.3Å; L122-M124 VanDerWaalsContact C-N 3.33Å; L122-M124 PolarHBondContact O-N 2.86Å; M124-Q126 PolarHBondContact O-N 2.84Å; M124-S127 WeakPolarHBondContact O-CB 3.41Å; M124-S127 PolarHBondContact O-N 2.82Å; M124-I128 HydrophobicContact CG-CD1 3.73Å; M124-I128 HydrophobicContact CG-CG1 4.5Å; M124-I128 VanDerWaalsContact O-CG1 3.32Å; M124-I128 WeakPolarHBondContact O-CG1 3.34Å; M124-I128 PolarHBondContact O-N 3.24Å; M124-I128 HydrophobicContact SD-CD1 4.44Å
125F93.8Very high94.1Very high16 Ų1666.7 Ų66.77%0.0735%0.349CS..Hα-helixtrans-61.4-43.1-178-79.2-51.1000112.4T92 C121 L122 S127 I128 G129 L228 L231 S235T92-F125 HydrophobicContact CG2-CE2 4.02Å; T92-F125 HydrophobicContact CG2-CZ 4.16Å; C121-F125 WeakPolarHBondContact O-CD2 3.45Å; C121-F125 PolarHBondContact O-N 3.45Å; C121-F125 WeakPolarHBondContact SG-CE2 3.37Å; L122-F125 PolarHBondContact O-N 3.16Å; F125-S127 VanDerWaalsContact C-N 3.34Å; F125-S127 PolarHBondContact O-N 2.88Å; F125-I128 PolarHBondContact O-N 3.03Å; F125-G129 PolarHBondContact O-N 3.47Å; F125-L228 HydrophobicContact CE1-CD2 4.47Å; F125-L228 HydrophobicContact CZ-CD2 4.09Å; F125-L231 HydrophobicContact CD1-CB 4.21Å; F125-L231 HydrophobicContact CE1-CB 3.59Å; F125-L231 HydrophobicContact CE1-CD1 4.49Å; F125-L231 HydrophobicContact CE2-CB 4.01Å; F125-L231 HydrophobicContact CE2-CD1 3.84Å; F125-L231 HydrophobicContact CZ-CB 3.47Å; F125-L231 VanDerWaalsContact CZ-CB 3.47Å; F125-L231 HydrophobicContact CZ-CD1 3.57Å; F125-L231 HydrophobicContact CZ-CG 4.19Å; F125-S235 VanDerWaalsContact C-OG 3.27Å; F125-S235 PolarHBondContact O-OG 2.87Å
126Q91Very high93.9Very high86 Ų8660.9 Ų60.940%0.40232%0.319SS..Hα-helixtrans-64.5-38.9176.8-170.8166.73.700111.9L122 M124 I128 G129 E130 S235 N239L122-Q126 PolarHBondContact O-N 3.32Å; M124-Q126 PolarHBondContact O-N 2.84Å; Q126-I128 PolarHBondContact O-N 2.78Å; Q126-G129 PolarHBondContact O-N 3.48Å; Q126-E130 PolarHBondContact O-N 2.94Å; Q126-S235 PolarHBondContact N-OG 3.45Å; Q126-N239 PolarHBondContact NE2-OD1 3.5Å
127S93.4Very high93.6Very high57 Ų5759.5 Ų59.540%0.39931%0.309SS..Hα-helixtrans-63.9-37.5175.8-60.70000113I123 M124 F125 R131I123-S127 VanDerWaalsContact O-CB 3.26Å; I123-S127 WeakPolarHBondContact O-CB 3.37Å; I123-S127 PolarHBondContact O-N 2.93Å; I123-S127 PolarHBondContact O-OG 3.39Å; M124-S127 WeakPolarHBondContact O-CB 3.41Å; M124-S127 PolarHBondContact O-N 2.82Å; F125-S127 VanDerWaalsContact C-N 3.34Å; F125-S127 PolarHBondContact O-N 2.88Å; S127-R131 WeakPolarHBondContact O-CG 3.42Å; S127-R131 PolarHBondContact O-N 3.38Å
128I94.5Very high93.3Very high65 Ų6566 Ų6633%0.33333%0.331SS..Hα-helixtrans-77.7-36.8176.6-56.4168.2000110.2M124 F125 Q126 R131 M132 T232M124-I128 HydrophobicContact CG-CD1 3.73Å; M124-I128 HydrophobicContact CG-CG1 4.5Å; M124-I128 VanDerWaalsContact O-CG1 3.32Å; M124-I128 WeakPolarHBondContact O-CG1 3.34Å; M124-I128 PolarHBondContact O-N 3.24Å; M124-I128 HydrophobicContact SD-CD1 4.44Å; F125-I128 PolarHBondContact O-N 3.03Å; Q126-I128 PolarHBondContact O-N 2.78Å; I128-R131 CarbonylContact O-C 3.35Å; I128-R131 WeakPolarHBondContact O-CB 3.18Å; I128-R131 PolarHBondContact O-N 3.38Å; I128-R131 VanDerWaalsContact O-N 3.17Å; I128-M132 PolarHBondContact O-N 3.23Å; I128-T232 HydrophobicContact CB-CG2 4.12Å; I128-T232 HydrophobicContact CG2-CG2 3.41Å; I128-T232 VanDerWaalsContact CG2-CG2 3.41Å
129G92.8Very high93.1Very high0 Ų068.4 Ų68.40%034%0.344CS..Hα-helixtrans-63.7-38.5174.900000113.3F125 Q126 M132 N133 S236F125-G129 PolarHBondContact O-N 3.47Å; Q126-G129 PolarHBondContact O-N 3.48Å; G129-M132 PolarHBondContact O-N 2.98Å; G129-N133 WeakPolarHBondContact O-CB 3.3Å; G129-N133 PolarHBondContact O-N 2.99Å; G129-N133 PolarHBondContact O-ND2 3.49Å; G129-S236 PolarHBondContact O-OG 3.17Å
130E91.8Very high92.8Very high62 Ų6267.4 Ų67.429%0.2934%0.335SS..Hα-helixtrans-60.6-46.6168.8-82.7-165.4-153.200111.5Q126 M132 N133 T134 N239Q126-E130 PolarHBondContact O-N 2.94Å; E130-M132 PolarHBondContact O-N 3.35Å; E130-N133 WeakPolarHBondContact O-CB 3.23Å; E130-N133 PolarHBondContact O-N 2.77Å; E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 2.87Å; E130-T134 VanDerWaalsContact O-OG1 3.05Å; E130-N239 WeakPolarHBondContact CG-ND2 3.35Å
131R93.7Very high92.3Very high177 Ų17765.8 Ų65.867%0.66833%0.327SS*.Hα-helixtrans-63.7-40177.8-70.5171.7-178.8-174.91.4112.3S127 I128 T134 I135S127-R131 WeakPolarHBondContact O-CG 3.42Å; S127-R131 PolarHBondContact O-N 3.38Å; I128-R131 CarbonylContact O-C 3.35Å; I128-R131 WeakPolarHBondContact O-CB 3.18Å; I128-R131 PolarHBondContact O-N 3.38Å; I128-R131 VanDerWaalsContact O-N 3.17Å; R131-T134 WeakPolarHBondContact O-CB 3.44Å; R131-T134 PolarHBondContact O-N 2.77Å; R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.42Å; R131-I135 PolarHBondContact O-N 3Å
132M92.9Very high92Very high23 Ų2370.6 Ų70.611%0.11335%0.347CS..Hα-helixtrans-67.3-41.5177.8-161.5-177.766.800111.1I128 G129 E130 T134 I135 I136 T232 V233 S236I128-M132 PolarHBondContact O-N 3.23Å; G129-M132 PolarHBondContact O-N 2.98Å; E130-M132 PolarHBondContact O-N 3.35Å; M132-T134 VanDerWaalsContact C-N 3.3Å; M132-T134 PolarHBondContact O-N 3.46Å; M132-I135 PolarHBondContact O-N 2.97Å; M132-I135 VanDerWaalsContact O-N 3.16Å; M132-I136 HydrophobicContact CE-CD1 4.06Å; M132-I136 HydrophobicContact CG-CD1 4.12Å; M132-I136 HydrophobicContact CG-CG1 4.47Å; M132-I136 VanDerWaalsContact O-CG1 3.28Å; M132-I136 WeakPolarHBondContact O-CG1 3.14Å; M132-I136 PolarHBondContact O-N 3.4Å; M132-T232 HydrophobicContact SD-CG2 4.46Å; M132-V233 HydrophobicContact CE-CB 4.2Å; M132-V233 HydrophobicContact CE-CG1 4.38Å; M132-V233 HydrophobicContact CE-CG2 3.88Å; M132-V233 HydrophobicContact SD-CG2 4.09Å; M132-S236 WeakPolarHBondContact CE-OG 3.25Å
133N92.4Very high91.6Very high9 Ų968.2 Ų68.25%0.04834%0.34CS..Hα-helixtrans-56.8-41.3170.3-82.4-55000112.4G129 E130 T137 L158 S236 L240G129-N133 WeakPolarHBondContact O-CB 3.3Å; G129-N133 PolarHBondContact O-N 2.99Å; G129-N133 PolarHBondContact O-ND2 3.49Å; E130-N133 WeakPolarHBondContact O-CB 3.23Å; E130-N133 PolarHBondContact O-N 2.77Å; N133-T137 WeakPolarHBondContact O-CB 3.45Å; N133-T137 PolarHBondContact O-N 2.91Å; N133-T137 PolarHBondContact O-OG1 3.35Å; N133-L158 HydrophobicContact CB-CD2 4.23Å; N133-S236 PolarHBondContact ND2-O 3.19Å; N133-S236 PolarHBondContact ND2-OG 3.42Å; N133-S236 PolarHBondContact OD1-OG 2.95Å; N133-L240 WeakPolarHBondContact OD1-CD1 3.17Å
134T92.1Very high91.1Very high95 Ų9566.3 Ų66.358%0.58333%0.33SS*.Hα-helixtrans-64.9-42.7174-54.50000112.2E130 R131 M132 T137 Y138E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 2.87Å; E130-T134 VanDerWaalsContact O-OG1 3.05Å; R131-T134 WeakPolarHBondContact O-CB 3.44Å; R131-T134 PolarHBondContact O-N 2.77Å; M132-T134 VanDerWaalsContact C-N 3.3Å; M132-T134 PolarHBondContact O-N 3.46Å; T134-T137 PolarHBondContact O-N 3.28Å; T134-Y138 WeakPolarHBondContact O-CB 3.45Å; T134-Y138 PolarHBondContact O-N 2.88Å
135I92.6Very high90.3Very high95 Ų9567 Ų6749%0.48734%0.342SS..Hα-helixtrans-63.6-45.2176.4-69.4163.1000110.8R131 M132 T137 Y138 L139R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.42Å; R131-I135 PolarHBondContact O-N 3Å; M132-I135 PolarHBondContact O-N 2.97Å; M132-I135 VanDerWaalsContact O-N 3.16Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.31Å; I135-Y138 PolarHBondContact O-N 2.89Å; I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CG 4.32Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.99Å
136I91.9Very high89.8Confident11 Ų1169.8 Ų69.86%0.05636%0.358CS..Hα-helixtrans-60.3-44.5175.5-66.1162.6000109.9M132 Y138 L139 L140 L158 V161 I165M132-I136 HydrophobicContact CE-CD1 4.06Å; M132-I136 HydrophobicContact CG-CD1 4.12Å; M132-I136 HydrophobicContact CG-CG1 4.47Å; M132-I136 VanDerWaalsContact O-CG1 3.28Å; M132-I136 WeakPolarHBondContact O-CG1 3.14Å; M132-I136 PolarHBondContact O-N 3.4Å; I136-Y138 PolarHBondContact O-N 3.48Å; I136-L139 PolarHBondContact O-N 3.5Å; I136-L140 HydrophobicContact CG2-CD1 3.75Å; I136-L140 HydrophobicContact CG2-CG 4.19Å; I136-L140 WeakPolarHBondContact O-CB 3.31Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.38Å; I136-L140 PolarHBondContact O-N 2.97Å; I136-L158 HydrophobicContact CB-CD1 3.79Å; I136-L158 HydrophobicContact CG2-CD1 3.45Å; I136-L158 VanDerWaalsContact CG2-CD1 3.45Å; I136-V161 HydrophobicContact CG2-CB 4.3Å; I136-V161 HydrophobicContact CG2-CG1 3.62Å; I136-I165 HydrophobicContact CD1-CD1 3.72Å; I136-I165 HydrophobicContact CG1-CD1 4.02Å
137T90.6Very high89.3Confident41 Ų4167.6 Ų67.625%0.25235%0.351SS..Hα-helixtrans-62.1-41.1176.7-57.60000112.1N133 T134 I135 N141 I153N133-T137 WeakPolarHBondContact O-CB 3.45Å; N133-T137 PolarHBondContact O-N 2.91Å; N133-T137 PolarHBondContact O-OG1 3.35Å; T134-T137 PolarHBondContact O-N 3.28Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.31Å; T137-N141 WeakPolarHBondContact O-CB 3.31Å; T137-N141 PolarHBondContact O-N 3.48Å; T137-N141 PolarHBondContact O-ND2 2.9Å; T137-I153 HydrophobicContact CG2-CD1 4.27Å
138Y90.8Very high88.4Confident148 Ų14873.5 Ų73.558%0.5837%0.37SS*.Hα-helixtrans-64-46.2174.2172.8-95.6000112.2T134 I135 I136 N141 K142T134-Y138 WeakPolarHBondContact O-CB 3.45Å; T134-Y138 PolarHBondContact O-N 2.88Å; I135-Y138 PolarHBondContact O-N 2.89Å; I136-Y138 PolarHBondContact O-N 3.48Å; Y138-N141 PolarHBondContact O-N 2.96Å; Y138-K142 HydrophobicContact CE1-CD 4.32Å; Y138-K142 WeakPolarHBondContact O-CB 3.25Å; Y138-K142 PolarHBondContact O-N 3.23Å
139L91.4Very high87.5Confident99 Ų9974.2 Ų74.252%0.51837%0.374SS..Hα-helixtrans-64.2-41.5178.2-70.6172.9000111.9I135 I136 K142 S143I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CG 4.32Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.99Å; I136-L139 PolarHBondContact O-N 3.5Å; L139-K142 PolarHBondContact O-N 3.16Å; L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 3.35Å
140L89.6Confident86.4Confident42 Ų4282.4 Ų82.422%0.2242%0.417CS..Hα-helixtrans-65.3-41.9174.5-72.3173.3000111.8I136 S143 N144 I153 V161I136-L140 HydrophobicContact CG2-CD1 3.75Å; I136-L140 HydrophobicContact CG2-CG 4.19Å; I136-L140 WeakPolarHBondContact O-CB 3.31Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.38Å; I136-L140 PolarHBondContact O-N 2.97Å; L140-S143 PolarHBondContact O-N 3.49Å; L140-N144 WeakPolarHBondContact O-CB 3.22Å; L140-N144 VanDerWaalsContact O-CG 3.3Å; L140-N144 PolarHBondContact O-N 2.84Å; L140-I153 HydrophobicContact CB-CD1 3.48Å; L140-I153 VanDerWaalsContact CB-CD1 3.48Å; L140-I153 HydrophobicContact CD1-CD1 4.48Å; L140-I153 HydrophobicContact CD1-CG2 4.42Å; L140-V161 HydrophobicContact CD1-CB 4.49Å; L140-V161 HydrophobicContact CD1-CG2 4.17Å; L140-V161 HydrophobicContact CD2-CG2 4.17Å
141N86.9Confident85.5Confident83 Ų8385.2 Ų85.244%0.44443%0.429SS..Hα-helixtrans-63.6-41.2174.2-82.4-36.8000111.8T137 Y138 N144 S145 I153T137-N141 WeakPolarHBondContact O-CB 3.31Å; T137-N141 PolarHBondContact O-N 3.48Å; T137-N141 PolarHBondContact O-ND2 2.9Å; Y138-N141 PolarHBondContact O-N 2.96Å; N141-N144 PolarHBondContact O-N 3.36Å; N141-S145 WeakPolarHBondContact O-CB 3.29Å; N141-S145 PolarHBondContact O-N 3.37Å; N141-I153 HydrophobicContact CB-CD1 4.37Å; N141-I153 WeakPolarHBondContact OD1-CD1 3.48Å
142K87.5Confident84.8Confident109 Ų10984.3 Ų84.347%0.47444%0.436SS..Hα-helixtrans-64.2-40.8174.9-170.6173.7-177.7176.80111.7Y138 L139 S145 L146Y138-K142 HydrophobicContact CE1-CD 4.32Å; Y138-K142 WeakPolarHBondContact O-CB 3.25Å; Y138-K142 PolarHBondContact O-N 3.23Å; L139-K142 PolarHBondContact O-N 3.16Å; K142-S145 PolarHBondContact O-N 3.19Å; K142-L146 HydrophobicContact CG-CD1 4.5Å; K142-L146 WeakPolarHBondContact O-CG 3.48Å; K142-L146 PolarHBondContact O-N 3.08Å
143S84.8Confident84.3Confident58 Ų5884.7 Ų84.741%0.40644%0.438SS..Hα-helixtrans-65-46.3175-166.90000112L139 L140 S145 L146 C147L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 3.35Å; L140-S143 PolarHBondContact O-N 3.49Å; S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 PolarHBondContact O-N 3.01Å; S143-L146 PolarHBondContact O-N 3.22Å; S143-C147 WeakPolarHBondContact O-CB 3.44Å; S143-C147 PolarHBondContact O-N 2.85Å
144N83.5Confident83.9Confident38 Ų3887 Ų8720%0.20346%0.455CS..Hα-helixtrans-60.1-38.8174.6-77.4-10.2000112L140 N141 C147 K148 I149L140-N144 WeakPolarHBondContact O-CB 3.22Å; L140-N144 VanDerWaalsContact O-CG 3.3Å; L140-N144 PolarHBondContact O-N 2.84Å; N141-N144 PolarHBondContact O-N 3.36Å; N144-C147 CarbonylContact O-C 3.56Å; N144-C147 PolarHBondContact O-N 3.41Å; N144-K148 CarbonylContact O-C 3.55Å; N144-K148 WeakPolarHBondContact O-CA 3.44Å; N144-K148 PolarHBondContact O-N 3.18Å; N144-I149 PolarHBondContact O-N 3.5Å
145S79Confident83.4Confident92 Ų9288.1 Ų88.164%0.64345%0.454SS*.Hα-helixtrans-64.4-44.8174.6-177.40000112.2N141 K142 S143 C147 K148N141-S145 WeakPolarHBondContact O-CB 3.29Å; N141-S145 PolarHBondContact O-N 3.37Å; K142-S145 PolarHBondContact O-N 3.19Å; S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 PolarHBondContact O-N 3.01Å; S145-C147 VanDerWaalsContact C-N 3.33Å; S145-C147 PolarHBondContact O-N 3.28Å; S145-K148 PolarHBondContact O-N 3.44Å; S145-K148 VanDerWaalsContact O-N 3.16Å
146L83.5Confident83Confident76 Ų7687.1 Ų87.140%0.39845%0.452SS..Hα-helixtrans-61.2-40174.3-71.7164.8000112.2K142 S143 K148K142-L146 HydrophobicContact CG-CD1 4.5Å; K142-L146 WeakPolarHBondContact O-CG 3.48Å; K142-L146 PolarHBondContact O-N 3.08Å; S143-L146 PolarHBondContact O-N 3.22Å; L146-K148 VanDerWaalsContact C-N 3.33Å
147C79.3Confident82.8Confident39 Ų3989.9 Ų89.926%0.26447%0.465SS..THydrogen-bonded Turntrans-83.5-1176.9-65.40000114.3S143 N144 S145 I149S143-C147 WeakPolarHBondContact O-CB 3.44Å; S143-C147 PolarHBondContact O-N 2.85Å; N144-C147 CarbonylContact O-C 3.56Å; N144-C147 PolarHBondContact O-N 3.41Å; S145-C147 VanDerWaalsContact C-N 3.33Å; S145-C147 PolarHBondContact O-N 3.28Å; C147-I149 HydrophobicContact CB-CD1 3.81Å; C147-I149 HydrophobicContact CB-CG1 3.85Å; C147-I149 PolarHBondContact O-N 2.95Å
148K74.4Confident82.7Confident182 Ų18288.3 Ų88.379%0.79146%0.455SS*.THydrogen-bonded Turntrans55.128.3-174-56179.8-178175.80114.9N144 S145 L146 N150N144-K148 CarbonylContact O-C 3.55Å; N144-K148 WeakPolarHBondContact O-CA 3.44Å; N144-K148 PolarHBondContact O-N 3.18Å; S145-K148 PolarHBondContact O-N 3.44Å; S145-K148 VanDerWaalsContact O-N 3.16Å; L146-K148 VanDerWaalsContact C-N 3.33Å; K148-N150 PolarHBondContact O-N 3.2Å
149I76.6Confident82.6Confident80 Ų8083.2 Ų83.241%0.4144%0.437SS..  trans-89.797.6-179.2-58.8175.8000109.5N144 C147 K151N144-I149 PolarHBondContact O-N 3.5Å; C147-I149 HydrophobicContact CB-CD1 3.81Å; C147-I149 HydrophobicContact CB-CG1 3.85Å; C147-I149 PolarHBondContact O-N 2.95Å; I149-K151 HydrophobicContact CG2-CB 3.81Å; I149-K151 PolarHBondContact O-N 3.08Å
150N68.9Low82.6Confident171 Ų17183.3 Ų83.391%0.91444%0.437SS*.  trans-75.557.6177.1-69.6-13.3000112.5K148K148-N150 PolarHBondContact O-N 3.2Å
151K74.1Confident82.7Confident121 Ų12183.3 Ų83.353%0.52644%0.439SS..  trans-111.6124.1178.9-172.7177178.9-173.20110.8I149 I153 H157I149-K151 HydrophobicContact CG2-CB 3.81Å; I149-K151 PolarHBondContact O-N 3.08Å; K151-I153 PolarHBondContact O-N 3.22Å; K151-H157 PolarHBondContact NZ-NE2 2.89Å
152L78.4Confident82.9Confident158 Ų15879.4 Ų79.483%0.82742%0.417SS*.  trans-60.2128.4172.6-177.864.1000110.3S154L152-S154 PolarHBondContact O-N 3.19Å
153I81.3Confident83Confident31 Ų3181.2 Ų81.216%0.15943%0.426CS..  trans-72.799176.1-57.2175.9000108.5T137 L140 N141 K151 H157T137-I153 HydrophobicContact CG2-CD1 4.27Å; L140-I153 HydrophobicContact CB-CD1 3.48Å; L140-I153 VanDerWaalsContact CB-CD1 3.48Å; L140-I153 HydrophobicContact CD1-CD1 4.48Å; L140-I153 HydrophobicContact CD1-CG2 4.42Å; N141-I153 HydrophobicContact CB-CD1 4.37Å; N141-I153 WeakPolarHBondContact OD1-CD1 3.48Å; K151-I153 PolarHBondContact O-N 3.22Å; I153-H157 HydrophobicContact CG2-CB 4.33Å
154S84.3Confident83.4Confident57 Ų5781.9 Ų81.940%0.39943%0.427SS..  trans-71.7149168.11750000111L152 T156 H157L152-S154 PolarHBondContact O-N 3.19Å; S154-T156 PolarHBondContact O-N 3.14Å; S154-H157 PolarHBondContact N-ND1 2.96Å; S154-H157 WeakPolarHBondContact O-CB 3.31Å; S154-H157 PolarHBondContact O-N 3.09Å; S154-H157 PolarHBondContact O-ND1 3.28Å
155Q82.8Confident83.9Confident119 Ų11982.3 Ų82.356%0.55643%0.429SS*.Hα-helixtrans-48.6-34.7177.4-64.6-64.2-16.400112.9H157 L158 M159Q155-H157 VanDerWaalsContact C-N 3.3Å; Q155-H157 PolarHBondContact O-N 2.73Å; Q155-L158 PolarHBondContact O-N 3.13Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; Q155-M159 WeakPolarHBondContact O-CG 3.41Å; Q155-M159 PolarHBondContact O-N 2.93Å
156T84.2Confident84.6Confident74 Ų7478.7 Ų78.745%0.45441%0.406SS..Hα-helixtrans-59.7-36.4176.2-42.70000113S154 I160S154-T156 PolarHBondContact O-N 3.14Å; T156-I160 HydrophobicContact CG2-CD1 4.19Å; T156-I160 WeakPolarHBondContact O-CD1 3.33Å; T156-I160 VanDerWaalsContact O-CG1 3.24Å; T156-I160 WeakPolarHBondContact O-CG1 3.35Å; T156-I160 PolarHBondContact O-N 3.07Å
157H87.3Confident85.1Confident69 Ų6977.7 Ų77.732%0.31941%0.406SS..Hα-helixtrans-69.5-38.9176.3-57.590.8000111K151 I153 S154 Q155 I160 V161K151-H157 PolarHBondContact NZ-NE2 2.89Å; I153-H157 HydrophobicContact CG2-CB 4.33Å; S154-H157 PolarHBondContact N-ND1 2.96Å; S154-H157 WeakPolarHBondContact O-CB 3.31Å; S154-H157 PolarHBondContact O-N 3.09Å; S154-H157 PolarHBondContact O-ND1 3.28Å; Q155-H157 VanDerWaalsContact C-N 3.3Å; Q155-H157 PolarHBondContact O-N 2.73Å; H157-I160 PolarHBondContact O-N 2.97Å; H157-V161 WeakPolarHBondContact O-CB 3.49Å; H157-V161 VanDerWaalsContact O-CG2 3.31Å; H157-V161 WeakPolarHBondContact O-CG2 3.34Å; H157-V161 PolarHBondContact O-N 3.24Å
158L88.6Confident85.9Confident9 Ų980 Ų805%0.04741%0.414CS..Hα-helixtrans-67-38177.2-175.757.5000111.5N133 I136 Q155 S162 L240N133-L158 HydrophobicContact CB-CD2 4.23Å; I136-L158 HydrophobicContact CB-CD1 3.79Å; I136-L158 HydrophobicContact CG2-CD1 3.45Å; I136-L158 VanDerWaalsContact CG2-CD1 3.45Å; Q155-L158 PolarHBondContact O-N 3.13Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; L158-S162 VanDerWaalsContact O-CB 3.28Å; L158-S162 WeakPolarHBondContact O-CB 3.22Å; L158-S162 PolarHBondContact O-N 3.37Å; L158-S162 PolarHBondContact O-OG 2.76Å; L158-L240 HydrophobicContact CB-CD1 4.44Å; L158-L240 HydrophobicContact CD2-CD1 4.47Å; L158-L240 HydrophobicContact CD2-CD2 3.69Å; L158-L240 HydrophobicContact CG-CD1 3.91Å; L158-L240 HydrophobicContact CG-CD2 4.07Å
159M88.1Confident86.9Confident41 Ų4172 Ų7220%0.20238%0.381CS..Hα-helixtrans-62.1-49.1170.6-70.3177.865.800112Q155 S162 F163 L240 L241Q155-M159 WeakPolarHBondContact O-CG 3.41Å; Q155-M159 PolarHBondContact O-N 2.93Å; M159-S162 PolarHBondContact O-N 2.99Å; M159-F163 WeakPolarHBondContact O-CB 3.17Å; M159-F163 PolarHBondContact O-N 3.5Å; M159-L240 HydrophobicContact CB-CD1 4.35Å; M159-L240 HydrophobicContact CG-CB 3.97Å; M159-L240 HydrophobicContact CG-CD1 3.75Å; M159-L240 HydrophobicContact CG-CG 4.49Å; M159-L241 HydrophobicContact CE-CD2 3.47Å; M159-L241 VanDerWaalsContact CE-CD2 3.47Å; M159-L241 HydrophobicContact CE-CG 4.26Å
160I90.8Very high87.9Confident101 Ų10169.5 Ų69.552%0.51837%0.368SS..Hα-helixtrans-58.9-49.9178.7-70.8163.2000110.5T156 H157 S162 F163 T164T156-I160 HydrophobicContact CG2-CD1 4.19Å; T156-I160 WeakPolarHBondContact O-CD1 3.33Å; T156-I160 VanDerWaalsContact O-CG1 3.24Å; T156-I160 WeakPolarHBondContact O-CG1 3.35Å; T156-I160 PolarHBondContact O-N 3.07Å; H157-I160 PolarHBondContact O-N 2.97Å; I160-S162 PolarHBondContact O-N 3.05Å; I160-F163 PolarHBondContact O-N 2.89Å; I160-T164 PolarHBondContact O-N 3.33Å; I160-T164 PolarHBondContact O-OG1 3.14Å; I160-T164 VanDerWaalsContact O-OG1 3.06Å
161V92.3Very high89.2Confident42 Ų4263.4 Ų63.426%0.25534%0.337SS..Hα-helixtrans-64.5-39.6-179.1172.40000111.6I136 L140 H157 F163 T164 I165I136-V161 HydrophobicContact CG2-CB 4.3Å; I136-V161 HydrophobicContact CG2-CG1 3.62Å; L140-V161 HydrophobicContact CD1-CB 4.49Å; L140-V161 HydrophobicContact CD1-CG2 4.17Å; L140-V161 HydrophobicContact CD2-CG2 4.17Å; H157-V161 WeakPolarHBondContact O-CB 3.49Å; H157-V161 VanDerWaalsContact O-CG2 3.31Å; H157-V161 WeakPolarHBondContact O-CG2 3.34Å; H157-V161 PolarHBondContact O-N 3.24Å; V161-F163 VanDerWaalsContact C-N 3.35Å; V161-F163 PolarHBondContact O-N 3.25Å; V161-T164 PolarHBondContact O-N 2.87Å; V161-I165 HydrophobicContact CG1-CD1 3.94Å; V161-I165 VanDerWaalsContact O-CG1 3.31Å; V161-I165 WeakPolarHBondContact O-CG1 3.39Å; V161-I165 PolarHBondContact O-N 3.12Å
162S90.4Very high90.2Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-65.3-37.5175.4-57.10000112.1L158 M159 I160 I165 G166L158-S162 VanDerWaalsContact O-CB 3.28Å; L158-S162 WeakPolarHBondContact O-CB 3.22Å; L158-S162 PolarHBondContact O-N 3.37Å; L158-S162 PolarHBondContact O-OG 2.76Å; M159-S162 PolarHBondContact O-N 2.99Å; I160-S162 PolarHBondContact O-N 3.05Å; S162-I165 PolarHBondContact O-N 3.48Å; S162-G166 PolarHBondContact O-N 3.37Å
163F90.9Very high91.1Very high148 Ų14854.4 Ų54.465%0.64930%0.295SS*.Hα-helixtrans-67.7-39.9173.4-174.5-96.7000112.2M159 I160 V161 G166 S167M159-F163 WeakPolarHBondContact O-CB 3.17Å; M159-F163 PolarHBondContact O-N 3.5Å; I160-F163 PolarHBondContact O-N 2.89Å; V161-F163 VanDerWaalsContact C-N 3.35Å; V161-F163 PolarHBondContact O-N 3.25Å; F163-G166 PolarHBondContact O-N 3.46Å; F163-S167 PolarHBondContact O-N 3.37Å
164T93.1Very high91.8Very high71 Ų7153 Ų5344%0.43629%0.287SS..Hα-helixtrans-60.9-43.7172.2-55.40000111.4I160 V161 S167 I168I160-T164 PolarHBondContact O-N 3.33Å; I160-T164 PolarHBondContact O-OG1 3.14Å; I160-T164 VanDerWaalsContact O-OG1 3.06Å; V161-T164 PolarHBondContact O-N 2.87Å; T164-S167 PolarHBondContact O-N 3.44Å; T164-I168 HydrophobicContact CG2-CD1 3.97Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.17Å
165I94.2Very high92.4Very high47 Ų4754.5 Ų54.524%0.24129%0.29CS..Hα-helixtrans-62.6-42.3175-66.9161.4000110.8I136 V161 S162 S167 I168 V169 V233I136-I165 HydrophobicContact CD1-CD1 3.72Å; I136-I165 HydrophobicContact CG1-CD1 4.02Å; V161-I165 HydrophobicContact CG1-CD1 3.94Å; V161-I165 VanDerWaalsContact O-CG1 3.31Å; V161-I165 WeakPolarHBondContact O-CG1 3.39Å; V161-I165 PolarHBondContact O-N 3.12Å; S162-I165 PolarHBondContact O-N 3.48Å; I165-S167 PolarHBondContact O-N 3.24Å; I165-I168 PolarHBondContact O-N 2.8Å; I165-V169 WeakPolarHBondContact O-CG2 3.39Å; I165-V169 PolarHBondContact O-N 2.79Å; I165-V233 HydrophobicContact CB-CG1 4.48Å; I165-V233 HydrophobicContact CG2-CG1 3.98Å; I165-V233 HydrophobicContact CG2-CG2 4Å
166G93.7Very high93Very high16 Ų1650.3 Ų50.317%0.16527%0.273CS..Hα-helixtrans-59.8-44.6174.500000113.5S162 F163 V169 L170S162-G166 PolarHBondContact O-N 3.37Å; F163-G166 PolarHBondContact O-N 3.46Å; G166-V169 PolarHBondContact O-N 2.96Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.23Å
167S94Very high93.5Very high55 Ų5546.8 Ų46.839%0.38525%0.251SS..Hα-helixtrans-63.8-39.9175.7-175.40000112.5F163 T164 I165 L170 T171F163-S167 PolarHBondContact O-N 3.37Å; T164-S167 PolarHBondContact O-N 3.44Å; I165-S167 PolarHBondContact O-N 3.24Å; S167-L170 PolarHBondContact O-N 3.12Å; S167-T171 WeakPolarHBondContact O-CB 3.48Å; S167-T171 WeakPolarHBondContact O-CG2 3.28Å; S167-T171 PolarHBondContact O-N 3.42Å; S167-T171 PolarHBondContact O-OG1 2.96Å
168I95.7Very high93.9Very high87 Ų8744.5 Ų44.545%0.44624%0.243SC..Hα-helixtrans-63.6-41.4173.4-70.2166.5000111T164 I165 T171 I172T164-I168 HydrophobicContact CG2-CD1 3.97Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.17Å; I165-I168 PolarHBondContact O-N 2.8Å; I168-T171 WeakPolarHBondContact CA-OG1 3.39Å; I168-T171 PolarHBondContact O-OG1 3.39Å; I168-T171 VanDerWaalsContact O-OG1 3.13Å; I168-I172 HydrophobicContact CG2-CD1 3.62Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 WeakPolarHBondContact O-CB 3.24Å; I168-I172 VanDerWaalsContact O-CG1 3.23Å; I168-I172 WeakPolarHBondContact O-CG1 3.35Å; I168-I172 PolarHBondContact O-N 3.35Å
169V95.7Very high94.2Very high14 Ų1453.5 Ų53.59%0.08528%0.276CS..Hα-helixtrans-65.5-45.1176.4170.90000111.6I165 G166 T171 G173 L196 F226 F229 V233I165-V169 WeakPolarHBondContact O-CG2 3.39Å; I165-V169 PolarHBondContact O-N 2.79Å; G166-V169 PolarHBondContact O-N 2.96Å; V169-T171 PolarHBondContact O-N 3.18Å; V169-G173 PolarHBondContact O-N 3.34Å; V169-L196 HydrophobicContact CG1-CD1 4.14Å; V169-F226 HydrophobicContact CG1-CD2 4.44Å; V169-F226 HydrophobicContact CG1-CE2 3.82Å; V169-F226 HydrophobicContact CG1-CZ 4.43Å; V169-F229 HydrophobicContact CG2-CD1 4.01Å; V169-F229 HydrophobicContact CG2-CE1 3.65Å; V169-V233 HydrophobicContact CG2-CG2 4.35Å
170L96.4Very high94.4Very high29 Ų2956 Ų5615%0.15228%0.284CS..Hα-helixtrans-61.1-44.4177.1-73.8169.8000112.3G166 S167 G173 A174 F189 C192 F193 L196G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.23Å; S167-L170 PolarHBondContact O-N 3.12Å; L170-G173 PolarHBondContact O-N 2.82Å; L170-A174 WeakPolarHBondContact O-CB 3.47Å; L170-A174 PolarHBondContact O-N 3.36Å; L170-F189 HydrophobicContact CB-CD2 4.4Å; L170-F189 HydrophobicContact CB-CE2 3.74Å; L170-F189 HydrophobicContact CB-CZ 4.16Å; L170-F189 HydrophobicContact CD1-CZ 4.3Å; L170-C192 HydrophobicContact CD2-CB 3.81Å; L170-F193 HydrophobicContact CD1-CD2 4.32Å; L170-F193 HydrophobicContact CD2-CB 4.44Å; L170-L196 HydrophobicContact CD2-CD1 3.96Å
171T96.3Very high94.5Very high43 Ų4351.3 Ų51.326%0.26426%0.26SS..Hα-helixtrans-70.2-40.7179.649.20000112.7S167 I168 V169 G173 A174 I175 F189S167-T171 WeakPolarHBondContact O-CB 3.48Å; S167-T171 WeakPolarHBondContact O-CG2 3.28Å; S167-T171 PolarHBondContact O-N 3.42Å; S167-T171 PolarHBondContact O-OG1 2.96Å; I168-T171 WeakPolarHBondContact CA-OG1 3.39Å; I168-T171 PolarHBondContact O-OG1 3.39Å; I168-T171 VanDerWaalsContact O-OG1 3.13Å; V169-T171 PolarHBondContact O-N 3.18Å; T171-G173 VanDerWaalsContact C-N 3.35Å; T171-A174 PolarHBondContact O-N 2.95Å; T171-I175 VanDerWaalsContact O-CG1 3.28Å; T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 3.17Å; T171-F189 HydrophobicContact CG2-CE2 4.01Å
172I96.1Very high94.5Very high90 Ų9054.1 Ų54.146%0.46227%0.273SS..Hα-helixtrans-62.1-43.5171.8-69.9171.2000110.6I168 I175 V176I168-I172 HydrophobicContact CG2-CD1 3.62Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 WeakPolarHBondContact O-CB 3.24Å; I168-I172 VanDerWaalsContact O-CG1 3.23Å; I168-I172 WeakPolarHBondContact O-CG1 3.35Å; I168-I172 PolarHBondContact O-N 3.35Å; I172-I175 PolarHBondContact O-N 2.92Å; I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 3.43Å
173G95.8Very high94.8Very high0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-55.5-52.8174.400000111.8V169 L170 T171 I175 V176 F177 C192 F226V169-G173 PolarHBondContact O-N 3.34Å; L170-G173 PolarHBondContact O-N 2.82Å; T171-G173 VanDerWaalsContact C-N 3.35Å; G173-I175 VanDerWaalsContact C-N 3.34Å; G173-I175 PolarHBondContact O-N 3.06Å; G173-V176 PolarHBondContact O-N 3.5Å; G173-F177 WeakPolarHBondContact O-CD2 3.49Å; G173-F177 PolarHBondContact O-N 3Å; G173-C192 VanDerWaalsContact C-SG 3.52Å; G173-F226 VanDerWaalsContact CA-CE2 3.48Å
174A97Very high95Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-59.1-40.3179.200000113.1L170 T171 V176 S178 Y185 S188 F189L170-A174 WeakPolarHBondContact O-CB 3.47Å; L170-A174 PolarHBondContact O-N 3.36Å; T171-A174 PolarHBondContact O-N 2.95Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.33Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.26Å; A174-S178 PolarHBondContact O-OG 2.97Å; A174-Y185 HydrophobicContact CB-CD2 3.96Å; A174-Y185 HydrophobicContact CB-CE2 3.41Å; A174-Y185 VanDerWaalsContact CB-CE2 3.41Å; A174-S188 WeakPolarHBondContact O-CB 3.45Å; A174-F189 HydrophobicContact CB-CB 3.79Å; A174-F189 HydrophobicContact CB-CD2 4.02Å; A174-F189 HydrophobicContact CB-CG 4.41Å
175I96.7Very high95.2Very high90 Ų9056.9 Ų56.946%0.46228%0.281SS..Hα-helixtrans-63.3-34.9174.1-68.7168.3000111.7T171 I172 G173 S178 R179 Y185T171-I175 VanDerWaalsContact O-CG1 3.28Å; T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 3.17Å; I172-I175 PolarHBondContact O-N 2.92Å; G173-I175 VanDerWaalsContact C-N 3.34Å; G173-I175 PolarHBondContact O-N 3.06Å; I175-S178 PolarHBondContact O-OG 3.1Å; I175-R179 WeakPolarHBondContact O-CG 3.4Å; I175-Y185 HydrophobicContact CG1-CE2 3.95Å
176V95.5Very high95.3Very high31 Ų3160.8 Ų60.819%0.18830%0.302CS..Hα-helixtrans-79.5-51.5179.2179.10000111.3I172 G173 A174 S178 R179 Y180 F222I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 3.43Å; G173-V176 PolarHBondContact O-N 3.5Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.33Å; V176-S178 PolarHBondContact O-N 3.22Å; V176-R179 PolarHBondContact O-N 3.38Å; V176-Y180 HydrophobicContact CG1-CD2 3.6Å; V176-Y180 HydrophobicContact CG1-CE2 3.79Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.32Å; V176-F222 HydrophobicContact CB-CE1 4.09Å; V176-F222 HydrophobicContact CB-CZ 3.9Å; V176-F222 HydrophobicContact CG1-CD1 4.16Å; V176-F222 HydrophobicContact CG1-CE1 3.47Å; V176-F222 VanDerWaalsContact CG1-CE1 3.47Å; V176-F222 HydrophobicContact CG1-CE2 4.38Å; V176-F222 HydrophobicContact CG1-CZ 3.6Å; V176-F222 HydrophobicContact CG2-CZ 3.98Å
177F95.4Very high95.5Very high0 Ų062.6 Ų62.60%031%0.308CS..Hα-helixtrans-63.6-38.9-175.4-70.5-67.1000113.1G173 R179 Y180 E181 W183 Y191 C192 A206 Y219 F222 F226G173-F177 WeakPolarHBondContact O-CD2 3.49Å; G173-F177 PolarHBondContact O-N 3Å; F177-R179 PolarHBondContact O-N 2.91Å; F177-R179 VanDerWaalsContact O-N 3.14Å; F177-Y180 PolarHBondContact O-N 2.92Å; F177-Y180 VanDerWaalsContact O-N 3.08Å; F177-E181 PolarHBondContact O-N 3.48Å; F177-W183 HydrophobicContact CB-CE3 4.48Å; F177-Y191 HydrophobicContact CB-CD1 4.48Å; F177-Y191 AromaticContact CD1-CE1 3.97Å; F177-Y191 HydrophobicContact CD1-CE1 3.97Å; F177-Y191 HydrophobicContact CD2-CD1 4.05Å; F177-Y191 AromaticContact CD2-CE1 3.9Å; F177-Y191 HydrophobicContact CD2-CE1 3.9Å; F177-Y191 AromaticContact CE1-CE1 3.99Å; F177-Y191 HydrophobicContact CE1-CE1 3.99Å; F177-Y191 HydrophobicContact CE2-CD1 4.47Å; F177-Y191 AromaticContact CE2-CE1 3.93Å; F177-Y191 HydrophobicContact CE2-CE1 3.93Å; F177-Y191 HydrophobicContact CG-CD1 4.09Å; F177-Y191 AromaticContact CG-CE1 3.94Å; F177-Y191 HydrophobicContact CG-CE1 3.94Å; F177-Y191 AromaticContact CZ-CE1 3.98Å; F177-Y191 HydrophobicContact CZ-CE1 3.98Å; F177-C192 VanDerWaalsContact CD2-SG 3.59Å; F177-A206 HydrophobicContact CD1-CB 4.01Å; F177-A206 HydrophobicContact CE1-CB 3.77Å; F177-Y219 HydrophobicContact CD1-CE2 4.3Å; F177-Y219 WeakPolarHBondContact CD1-OH 3.34Å; F177-Y219 HydrophobicContact CE1-CE2 4.05Å; F177-F222 HydrophobicContact CE1-CE1 4.4Å; F177-F222 HydrophobicContact CE2-CE1 4.34Å; F177-F222 AromaticContact CZ-CE1 3.97Å; F177-F222 HydrophobicContact CZ-CE1 3.97Å; F177-F226 AromaticContact CE2-CD1 3.67Å; F177-F226 HydrophobicContact CE2-CD1 3.67Å; F177-F226 HydrophobicContact CE2-CD2 4.48Å; F177-F226 AromaticContact CE2-CE1 3.74Å; F177-F226 HydrophobicContact CE2-CE1 3.74Å; F177-F226 HydrophobicContact CE2-CG 4.06Å; F177-F226 HydrophobicContact CE2-CZ 4.2Å; F177-F226 AromaticContact CZ-CD1 3.97Å; F177-F226 HydrophobicContact CZ-CD1 3.97Å; F177-F226 HydrophobicContact CZ-CE1 4.44Å; F177-F226 HydrophobicContact CZ-CG 4.32Å
178S95.9Very high95.6Very high20 Ų2060 Ų6014%0.1429%0.289CS..Hα-helixtrans-57.2-29.3173.251.80000113.3A174 I175 V176 W183 S188A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.26Å; A174-S178 PolarHBondContact O-OG 2.97Å; I175-S178 PolarHBondContact O-OG 3.1Å; V176-S178 PolarHBondContact O-N 3.22Å; S178-W183 WeakPolarHBondContact CA-O 3.23Å; S178-W183 WeakPolarHBondContact CB-O 3.35Å; S178-S188 WeakPolarHBondContact CA-OG 3.49Å; S178-S188 VanDerWaalsContact CB-OG 3.3Å; S178-S188 WeakPolarHBondContact CB-OG 3.33Å; S178-S188 PolarHBondContact N-OG 3.39Å; S178-S188 VanDerWaalsContact N-OG 3.14Å
179R94Very high95.7Very high199 Ų19958.9 Ų58.975%0.75128%0.282SS*.Hα-helixtrans-91.9-10.5179.8-60.3-67.1-178.278.53.4114.5I175 V176 F177I175-R179 WeakPolarHBondContact O-CG 3.4Å; V176-R179 PolarHBondContact O-N 3.38Å; F177-R179 PolarHBondContact O-N 2.91Å; F177-R179 VanDerWaalsContact O-N 3.14Å
180Y92.5Very high95.8Very high93 Ų9362 Ų6237%0.36529%0.292SS..Hα-helixtrans-110-30.4-178.1-90-92.8000114V176 F177 Y219V176-Y180 HydrophobicContact CG1-CD2 3.6Å; V176-Y180 HydrophobicContact CG1-CE2 3.79Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.32Å; F177-Y180 PolarHBondContact O-N 2.92Å; F177-Y180 VanDerWaalsContact O-N 3.08Å; Y180-Y219 AromaticContact CD1-CD1 3.92Å; Y180-Y219 HydrophobicContact CD1-CD1 3.92Å; Y180-Y219 AromaticContact CD1-CD2 3.64Å; Y180-Y219 HydrophobicContact CD1-CD2 3.64Å; Y180-Y219 HydrophobicContact CD1-CE1 4.12Å; Y180-Y219 AromaticContact CD1-CE2 3.88Å; Y180-Y219 HydrophobicContact CD1-CE2 3.88Å; Y180-Y219 AromaticContact CD1-CG 3.69Å; Y180-Y219 HydrophobicContact CD1-CG 3.69Å; Y180-Y219 AromaticContact CE1-CD2 3.99Å; Y180-Y219 HydrophobicContact CE1-CD2 3.99Å; Y180-Y219 HydrophobicContact CE1-CG 4.01Å; Y180-Y219 HydrophobicContact CG-CD2 4.01Å; Y180-Y219 HydrophobicContact CG-CE1 4.46Å; Y180-Y219 AromaticContact CG-CE2 3.81Å; Y180-Y219 HydrophobicContact CG-CE2 3.81Å; Y180-Y219 HydrophobicContact CG-CG 4.46Å
181E92.6Very high95.9Very high2 Ų260.7 Ų60.71%0.00929%0.286CS..THydrogen-bonded Turntrans-105-3.2178.7-60-64.1160.800113.9F177 W183 A206 L207 R209 Y219F177-E181 PolarHBondContact O-N 3.48Å; E181-W183 HydrophobicContact CB-CD2 3.57Å; E181-W183 VanDerWaalsContact CB-CE2 3.44Å; E181-W183 HydrophobicContact CB-CE3 4.1Å; E181-W183 HydrophobicContact CB-CG 3.88Å; E181-W183 HydrophobicContact CB-CH2 4.36Å; E181-W183 HydrophobicContact CB-CZ2 3.87Å; E181-W183 HydrophobicContact CB-CZ3 4.46Å; E181-W183 HydrophobicContact CG-CD2 4.19Å; E181-W183 HydrophobicContact CG-CE3 4.3Å; E181-W183 HydrophobicContact CG-CH2 3.97Å; E181-W183 HydrophobicContact CG-CZ2 3.84Å; E181-W183 HydrophobicContact CG-CZ3 4.19Å; E181-A206 WeakPolarHBondContact OE1-CA 3.2Å; E181-L207 PolarHBondContact OE1-N 3.46Å; E181-R209 WeakPolarHBondContact O-CD 3.48Å; E181-R209 PolarHBondContact O-NH1 3.27Å; E181-R209 VanDerWaalsContact OE2-CB 3.23Å; E181-R209 WeakPolarHBondContact OE2-CB 3.37Å; E181-Y219 WeakPolarHBondContact CG-OH 3.29Å; E181-Y219 WeakPolarHBondContact OE1-CE1 3.32Å; E181-Y219 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y219 PolarHBondContact OE1-OH 2.92Å
182D93Very high95.9Very high102 Ų10258.7 Ų58.755%0.54527%0.273SS..THydrogen-bonded Turntrans54.856.2-168.9-38.3-52.1000112R209D182-R209 IonicContact OD2-CZ 2.82Å; D182-R209 IonicContact OD2-NE 2.85Å; D182-R209 PolarHBondContact OD2-NE 3Å; D182-R209 VanDerWaalsContact OD2-NE 3.17Å; D182-R209 IonicContact OD2-NH1 2.84Å; D182-R209 IonicContact OD2-NH2 3.12Å; D182-R209 PolarHBondContact OD2-NH2 3.41Å
183W95Very high96Very high48 Ų4859.1 Ų59.118%0.18227%0.272CS..  trans-111.4155.4176.9-65-19.5000111.3F177 S178 E181 S188 Y191 F204F177-W183 HydrophobicContact CB-CE3 4.48Å; S178-W183 WeakPolarHBondContact CA-O 3.23Å; S178-W183 WeakPolarHBondContact CB-O 3.35Å; E181-W183 HydrophobicContact CB-CD2 3.57Å; E181-W183 VanDerWaalsContact CB-CE2 3.44Å; E181-W183 HydrophobicContact CB-CE3 4.1Å; E181-W183 HydrophobicContact CB-CG 3.88Å; E181-W183 HydrophobicContact CB-CH2 4.36Å; E181-W183 HydrophobicContact CB-CZ2 3.87Å; E181-W183 HydrophobicContact CB-CZ3 4.46Å; E181-W183 HydrophobicContact CG-CD2 4.19Å; E181-W183 HydrophobicContact CG-CE3 4.3Å; E181-W183 HydrophobicContact CG-CH2 3.97Å; E181-W183 HydrophobicContact CG-CZ2 3.84Å; E181-W183 HydrophobicContact CG-CZ3 4.19Å; W183-S188 WeakPolarHBondContact CB-OG 3.4Å; W183-Y191 HydrophobicContact CH2-CD1 4.49Å; W183-Y191 HydrophobicContact CH2-CD2 4.38Å; W183-Y191 HydrophobicContact CH2-CG 4.29Å; W183-Y191 AromaticContact CZ3-CD1 3.74Å; W183-Y191 HydrophobicContact CZ3-CD1 3.74Å; W183-Y191 HydrophobicContact CZ3-CD2 4.24Å; W183-Y191 HydrophobicContact CZ3-CE1 4.3Å; W183-Y191 AromaticContact CZ3-CG 3.7Å; W183-Y191 HydrophobicContact CZ3-CG 3.7Å; W183-F204 AromaticContact CD2-CD1 3.87Å; W183-F204 HydrophobicContact CD2-CD1 3.87Å; W183-F204 HydrophobicContact CD2-CE1 4.41Å; W183-F204 AromaticContact CE2-CD1 3.79Å; W183-F204 HydrophobicContact CE3-CD1 4.13Å; W183-F204 HydrophobicContact CG-CD1 4.38Å; W183-F204 HydrophobicContact CG-CE1 4.47Å; W183-F204 HydrophobicContact CH2-CB 3.95Å; W183-F204 HydrophobicContact CH2-CD1 4.27Å; W183-F204 HydrophobicContact CZ2-CB 4.3Å; W183-F204 HydrophobicContact CZ2-CD1 4.01Å; W183-F204 HydrophobicContact CZ3-CB 4.24Å; W183-F204 HydrophobicContact CZ3-CD1 4.32Å
184D96.3Very high96Very high121 Ų12159.7 Ų59.765%0.64728%0.275SS*.  trans-63.6155.4170.4-87-41000111.9L186 D187 S188D184-L186 VanDerWaalsContact C-N 3.28Å; D184-L186 PolarHBondContact O-N 2.92Å; D184-D187 PolarHBondContact O-N 3.21Å; D184-S188 VanDerWaalsContact O-CB 3.32Å; D184-S188 WeakPolarHBondContact O-CB 3.37Å; D184-S188 PolarHBondContact O-N 2.97Å; D184-S188 PolarHBondContact O-OG 2.95Å
185Y97Very high96Very high108 Ų10859.7 Ų59.742%0.42428%0.275SS..Hα-helixtrans-64.3-34.1-177.6177.9-98.2000112.4A174 I175 F189A174-Y185 HydrophobicContact CB-CD2 3.96Å; A174-Y185 HydrophobicContact CB-CE2 3.41Å; A174-Y185 VanDerWaalsContact CB-CE2 3.41Å; I175-Y185 HydrophobicContact CG1-CE2 3.95Å; Y185-F189 WeakPolarHBondContact O-CB 3.39Å; Y185-F189 PolarHBondContact O-N 2.81Å
186L97Very high96Very high129 Ų12955.8 Ų55.868%0.67526%0.255SS*.Hα-helixtrans-66.4-52177.2-177.259.8000110.9D184 S188 F189 Y190D184-L186 VanDerWaalsContact C-N 3.28Å; D184-L186 PolarHBondContact O-N 2.92Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.46Å; L186-F189 CarbonylContact O-C 3.59Å; L186-F189 WeakPolarHBondContact O-CB 3.43Å; L186-F189 PolarHBondContact O-N 3.13Å; L186-Y190 WeakPolarHBondContact O-CB 3.46Å; L186-Y190 PolarHBondContact O-N 3.49Å
187D97Very high96Very high53 Ų5356.6 Ų56.628%0.28326%0.26SS..Hα-helixtrans-55.8-42.2175.1-62.78.9000111.8D184 F189 Y190 Y191 F204D184-D187 PolarHBondContact O-N 3.21Å; D187-F189 VanDerWaalsContact C-N 3.34Å; D187-F189 PolarHBondContact O-N 3.45Å; D187-Y190 PolarHBondContact O-N 2.88Å; D187-Y191 WeakPolarHBondContact O-CB 3.14Å; D187-Y191 PolarHBondContact O-N 3.44Å; D187-F204 HydrophobicContact CB-CD1 4.32Å; D187-F204 HydrophobicContact CB-CE1 3.64Å; D187-F204 HydrophobicContact CB-CZ 3.76Å; D187-F204 WeakPolarHBondContact OD2-CZ 3.29Å
188S97.3Very high96Very high0 Ų059.2 Ų59.20%028%0.276CS..Hα-helixtrans-66-35.8177.4-58.20000112.4A174 S178 W183 D184 L186 C192A174-S188 WeakPolarHBondContact O-CB 3.45Å; S178-S188 WeakPolarHBondContact CA-OG 3.49Å; S178-S188 VanDerWaalsContact CB-OG 3.3Å; S178-S188 WeakPolarHBondContact CB-OG 3.33Å; S178-S188 PolarHBondContact N-OG 3.39Å; S178-S188 VanDerWaalsContact N-OG 3.14Å; W183-S188 WeakPolarHBondContact CB-OG 3.4Å; D184-S188 VanDerWaalsContact O-CB 3.32Å; D184-S188 WeakPolarHBondContact O-CB 3.37Å; D184-S188 PolarHBondContact O-N 2.97Å; D184-S188 PolarHBondContact O-OG 2.95Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.46Å; S188-C192 PolarHBondContact O-N 3.44Å; S188-C192 VanDerWaalsContact O-N 3.12Å; S188-C192 PolarHBondContact O-SG 3.41Å
189F97.7Very high96Very high64 Ų6462.1 Ų62.128%0.28129%0.289SS..Hα-helixtrans-73.3-41.5174.8-172.5-86.9000111.8L170 T171 A174 Y185 L186 D187 C192 F193L170-F189 HydrophobicContact CB-CD2 4.4Å; L170-F189 HydrophobicContact CB-CE2 3.74Å; L170-F189 HydrophobicContact CB-CZ 4.16Å; L170-F189 HydrophobicContact CD1-CZ 4.3Å; T171-F189 HydrophobicContact CG2-CE2 4.01Å; A174-F189 HydrophobicContact CB-CB 3.79Å; A174-F189 HydrophobicContact CB-CD2 4.02Å; A174-F189 HydrophobicContact CB-CG 4.41Å; Y185-F189 WeakPolarHBondContact O-CB 3.39Å; Y185-F189 PolarHBondContact O-N 2.81Å; L186-F189 CarbonylContact O-C 3.59Å; L186-F189 WeakPolarHBondContact O-CB 3.43Å; L186-F189 PolarHBondContact O-N 3.13Å; D187-F189 VanDerWaalsContact C-N 3.34Å; D187-F189 PolarHBondContact O-N 3.45Å; F189-C192 WeakPolarHBondContact O-CB 3.19Å; F189-C192 PolarHBondContact O-N 3.36Å; F189-F193 WeakPolarHBondContact O-CB 3.36Å; F189-F193 PolarHBondContact O-N 3.02Å
190Y97.7Very high96.1Very high79 Ų7952.9 Ų52.931%0.3126%0.255SS..Hα-helixtrans-58.6-49.8172.3165.8-97.1000111.1L186 D187 C192 F193 I194 F201 D203 F204L186-Y190 WeakPolarHBondContact O-CB 3.46Å; L186-Y190 PolarHBondContact O-N 3.49Å; D187-Y190 PolarHBondContact O-N 2.88Å; Y190-C192 VanDerWaalsContact C-N 3.33Å; Y190-C192 PolarHBondContact O-N 3.31Å; Y190-F193 PolarHBondContact O-N 3.13Å; Y190-F193 VanDerWaalsContact O-N 3.08Å; Y190-I194 HydrophobicContact CD2-CG1 3.85Å; Y190-I194 HydrophobicContact CE1-CG1 4.24Å; Y190-I194 HydrophobicContact CE2-CD1 4.04Å; Y190-I194 HydrophobicContact CE2-CG1 3.54Å; Y190-I194 HydrophobicContact CG-CG1 4.33Å; Y190-I194 WeakPolarHBondContact O-CB 3.33Å; Y190-I194 WeakPolarHBondContact O-CG1 3.34Å; Y190-I194 PolarHBondContact O-N 2.92Å; Y190-F201 VanDerWaalsContact OH-CD2 3.3Å; Y190-F201 WeakPolarHBondContact OH-CD2 3.34Å; Y190-D203 VanDerWaalsContact CE1-OD2 3.23Å; Y190-D203 WeakPolarHBondContact CE1-OD2 3.29Å; Y190-D203 PolarHBondContact OH-OD2 3.26Å; Y190-F204 HydrophobicContact CD1-CD2 4.01Å; Y190-F204 HydrophobicContact CD1-CE2 4.32Å; Y190-F204 AromaticContact CE1-CD2 3.86Å; Y190-F204 HydrophobicContact CE1-CD2 3.86Å; Y190-F204 HydrophobicContact CE1-CE2 4.25Å
191Y97.4Very high96.3Very high3 Ų354.6 Ų54.61%0.01227%0.265CS..Hα-helixtrans-53.7-47.9172.9167.3-108.4000111.8Y96 F177 W183 D187 F193 T195 F204 A206Y96-Y191 HydrophobicContact CE1-CE2 4.02Å; Y96-Y191 AromaticContact CZ-CE2 3.9Å; Y96-Y191 VanDerWaalsContact OH-CE2 3.32Å; Y96-Y191 WeakPolarHBondContact OH-CE2 3.31Å; Y96-Y191 PolarHBondContact OH-OH 2.92Å; Y96-Y191 VanDerWaalsContact OH-OH 3.05Å; F177-Y191 HydrophobicContact CB-CD1 4.48Å; F177-Y191 AromaticContact CD1-CE1 3.97Å; F177-Y191 HydrophobicContact CD1-CE1 3.97Å; F177-Y191 HydrophobicContact CD2-CD1 4.05Å; F177-Y191 AromaticContact CD2-CE1 3.9Å; F177-Y191 HydrophobicContact CD2-CE1 3.9Å; F177-Y191 AromaticContact CE1-CE1 3.99Å; F177-Y191 HydrophobicContact CE1-CE1 3.99Å; F177-Y191 HydrophobicContact CE2-CD1 4.47Å; F177-Y191 AromaticContact CE2-CE1 3.93Å; F177-Y191 HydrophobicContact CE2-CE1 3.93Å; F177-Y191 HydrophobicContact CG-CD1 4.09Å; F177-Y191 AromaticContact CG-CE1 3.94Å; F177-Y191 HydrophobicContact CG-CE1 3.94Å; F177-Y191 AromaticContact CZ-CE1 3.98Å; F177-Y191 HydrophobicContact CZ-CE1 3.98Å; W183-Y191 HydrophobicContact CH2-CD1 4.49Å; W183-Y191 HydrophobicContact CH2-CD2 4.38Å; W183-Y191 HydrophobicContact CH2-CG 4.29Å; W183-Y191 AromaticContact CZ3-CD1 3.74Å; W183-Y191 HydrophobicContact CZ3-CD1 3.74Å; W183-Y191 HydrophobicContact CZ3-CD2 4.24Å; W183-Y191 HydrophobicContact CZ3-CE1 4.3Å; W183-Y191 AromaticContact CZ3-CG 3.7Å; W183-Y191 HydrophobicContact CZ3-CG 3.7Å; D187-Y191 WeakPolarHBondContact O-CB 3.14Å; D187-Y191 PolarHBondContact O-N 3.44Å; Y191-F193 VanDerWaalsContact C-N 3.34Å; Y191-F193 PolarHBondContact O-N 2.93Å; Y191-T195 VanDerWaalsContact CE2-OG1 3.29Å; Y191-T195 WeakPolarHBondContact CE2-OG1 3.22Å; Y191-T195 WeakPolarHBondContact O-CB 3.32Å; Y191-T195 PolarHBondContact O-N 3.49Å; Y191-T195 PolarHBondContact O-OG1 3.21Å; Y191-F204 HydrophobicContact CD2-CB 3.96Å; Y191-F204 VanDerWaalsContact CD2-O 3.22Å; Y191-F204 WeakPolarHBondContact CD2-O 3.41Å; Y191-F204 WeakPolarHBondContact CE2-O 3.35Å; Y191-F204 HydrophobicContact CG-CB 4.31Å; Y191-A206 HydrophobicContact CE1-CB 4.17Å; Y191-A206 WeakPolarHBondContact OH-CB 3.4Å
192C97.3Very high96.4Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-60.7-43176.7-70.40000111.9L170 G173 F177 S188 F189 Y190 L196 F226L170-C192 HydrophobicContact CD2-CB 3.81Å; G173-C192 VanDerWaalsContact C-SG 3.52Å; F177-C192 VanDerWaalsContact CD2-SG 3.59Å; S188-C192 PolarHBondContact O-N 3.44Å; S188-C192 VanDerWaalsContact O-N 3.12Å; S188-C192 PolarHBondContact O-SG 3.41Å; F189-C192 WeakPolarHBondContact O-CB 3.19Å; F189-C192 PolarHBondContact O-N 3.36Å; Y190-C192 VanDerWaalsContact C-N 3.33Å; Y190-C192 PolarHBondContact O-N 3.31Å; C192-L196 WeakPolarHBondContact O-CB 3.39Å; C192-L196 WeakPolarHBondContact O-CG 3.39Å; C192-L196 PolarHBondContact O-N 2.87Å; C192-F226 HydrophobicContact CB-CE1 4.49Å; C192-F226 HydrophobicContact CB-CZ 4.1Å
193F97Very high96.5Very high99 Ų9955 Ų5543%0.43427%0.273SS..Hα-helixtrans-66.7-52.5-179.8-175.3-96.1000112.2L170 F189 Y190 Y191 T195 L196 T197L170-F193 HydrophobicContact CD1-CD2 4.32Å; L170-F193 HydrophobicContact CD2-CB 4.44Å; F189-F193 WeakPolarHBondContact O-CB 3.36Å; F189-F193 PolarHBondContact O-N 3.02Å; Y190-F193 PolarHBondContact O-N 3.13Å; Y190-F193 VanDerWaalsContact O-N 3.08Å; Y191-F193 VanDerWaalsContact C-N 3.34Å; Y191-F193 PolarHBondContact O-N 2.93Å; F193-T195 PolarHBondContact O-N 3.11Å; F193-L196 PolarHBondContact O-N 2.86Å; F193-T197 HydrophobicContact CD1-CG2 4.3Å; F193-T197 HydrophobicContact CD2-CG2 4.37Å; F193-T197 HydrophobicContact CE1-CG2 3.99Å; F193-T197 HydrophobicContact CE2-CG2 4.07Å; F193-T197 HydrophobicContact CG-CG2 4.48Å; F193-T197 HydrophobicContact CZ-CG2 3.88Å; F193-T197 WeakPolarHBondContact O-CB 3.26Å; F193-T197 WeakPolarHBondContact O-CG2 3.45Å; F193-T197 PolarHBondContact O-N 3.29Å; F193-T197 PolarHBondContact O-OG1 3.49Å
194I97.2Very high96.5Very high13 Ų1355.1 Ų55.17%0.06728%0.275CS..Hα-helixtrans-61.6-32.2177.7-66.8-55.7000112Y190 T197 I199 G200 F201Y190-I194 HydrophobicContact CD2-CG1 3.85Å; Y190-I194 HydrophobicContact CE1-CG1 4.24Å; Y190-I194 HydrophobicContact CE2-CD1 4.04Å; Y190-I194 HydrophobicContact CE2-CG1 3.54Å; Y190-I194 HydrophobicContact CG-CG1 4.33Å; Y190-I194 WeakPolarHBondContact O-CB 3.33Å; Y190-I194 WeakPolarHBondContact O-CG1 3.34Å; Y190-I194 PolarHBondContact O-N 2.92Å; I194-T197 WeakPolarHBondContact CA-OG1 3.27Å; I194-T197 PolarHBondContact O-OG1 2.87Å; I194-I199 HydrophobicContact CD1-CB 4.31Å; I194-I199 HydrophobicContact CD1-CD1 4.06Å; I194-I199 HydrophobicContact CD1-CG2 4.24Å; I194-I199 HydrophobicContact CG2-CB 4.14Å; I194-I199 HydrophobicContact CG2-CG2 4.26Å; I194-I199 PolarHBondContact O-N 2.82Å; I194-G200 VanDerWaalsContact CG2-N 3.34Å; I194-G200 PolarHBondContact O-N 2.92Å; I194-F201 HydrophobicContact CD1-CD2 3.99Å; I194-F201 HydrophobicContact CD1-CE2 3.64Å; I194-F201 HydrophobicContact CG1-CD2 4.16Å; I194-F201 HydrophobicContact CG1-CE2 4.3Å; I194-F201 HydrophobicContact CG2-CB 4.45Å; I194-F201 HydrophobicContact CG2-CD2 3.76Å; I194-F201 HydrophobicContact CG2-CE2 4.45Å; I194-F201 HydrophobicContact CG2-CG 4.3Å
195T97Very high96.4Very high0 Ų049.9 Ų49.90%025%0.247CC..Hα-helixtrans-70.1-52.8173.4-65.80000112.1I94 Y96 Y191 F193 T197 T198 I227I94-T195 HydrophobicContact CD1-CG2 4.16Å; Y96-T195 WeakPolarHBondContact OH-CG2 3.36Å; Y96-T195 PolarHBondContact OH-OG1 3.05Å; Y191-T195 VanDerWaalsContact CE2-OG1 3.29Å; Y191-T195 WeakPolarHBondContact CE2-OG1 3.22Å; Y191-T195 WeakPolarHBondContact O-CB 3.32Å; Y191-T195 PolarHBondContact O-N 3.49Å; Y191-T195 PolarHBondContact O-OG1 3.21Å; F193-T195 PolarHBondContact O-N 3.11Å; T195-T197 VanDerWaalsContact C-N 3.32Å; T195-T197 PolarHBondContact O-N 3.42Å; T195-T198 PolarHBondContact O-N 2.86Å; T195-T198 VanDerWaalsContact O-N 3.12Å; T195-I227 HydrophobicContact CG2-CD1 4.31Å; T195-I227 HydrophobicContact CG2-CG1 3.84Å
196L95.8Very high96.2Very high7 Ų744.7 Ų44.74%0.03723%0.227CC..Hα-helixtrans-78.1-14.3-174.9-62.7-172.9000113.8V169 L170 C192 F193 T198 F226 L231 V234V169-L196 HydrophobicContact CG1-CD1 4.14Å; L170-L196 HydrophobicContact CD2-CD1 3.96Å; C192-L196 WeakPolarHBondContact O-CB 3.39Å; C192-L196 WeakPolarHBondContact O-CG 3.39Å; C192-L196 PolarHBondContact O-N 2.87Å; F193-L196 PolarHBondContact O-N 2.86Å; L196-T198 VanDerWaalsContact C-N 3.32Å; L196-F226 HydrophobicContact CD1-CE1 4.26Å; L196-F226 HydrophobicContact CD1-CZ 3.95Å; L196-F226 HydrophobicContact CD2-CE1 4.24Å; L196-F226 HydrophobicContact CG-CE1 4.27Å; L196-F226 HydrophobicContact CG-CZ 4.44Å; L196-L231 HydrophobicContact CD2-CG 4.27Å; L196-L231 WeakPolarHBondContact O-CD2 3.42Å; L196-V234 HydrophobicContact CB-CG2 4.22Å
197T94.8Very high95.8Very high49 Ų4938.6 Ų38.630%0.30120%0.195SC..THydrogen-bonded Turntrans-87.31167.752.60000113.2F193 I194 T195 I199F193-T197 HydrophobicContact CD1-CG2 4.3Å; F193-T197 HydrophobicContact CD2-CG2 4.37Å; F193-T197 HydrophobicContact CE1-CG2 3.99Å; F193-T197 HydrophobicContact CE2-CG2 4.07Å; F193-T197 HydrophobicContact CG-CG2 4.48Å; F193-T197 HydrophobicContact CZ-CG2 3.88Å; F193-T197 WeakPolarHBondContact O-CB 3.26Å; F193-T197 WeakPolarHBondContact O-CG2 3.45Å; F193-T197 PolarHBondContact O-N 3.29Å; F193-T197 PolarHBondContact O-OG1 3.49Å; I194-T197 WeakPolarHBondContact CA-OG1 3.27Å; I194-T197 PolarHBondContact O-OG1 2.87Å; T195-T197 VanDerWaalsContact C-N 3.32Å; T195-T197 PolarHBondContact O-N 3.42Å; T197-I199 PolarHBondContact O-N 2.79Å; T197-I199 WeakPolarHBondContact OG1-CD1 3.39Å
198T96.2Very high95.4Very high55 Ų5537.7 Ų37.734%0.33719%0.189SC..THydrogen-bonded Turntrans55.832.7-177.262.60000113.9T92 I94 T195 L196 L231T92-T198 WeakPolarHBondContact O-CG2 3.35Å; I94-T198 HydrophobicContact CG1-CG2 4.05Å; T195-T198 PolarHBondContact O-N 2.86Å; T195-T198 VanDerWaalsContact O-N 3.12Å; L196-T198 VanDerWaalsContact C-N 3.32Å; T198-L231 HydrophobicContact CG2-CD2 3.52Å
199I97Very high94.9Very high81 Ų8141.5 Ų41.542%0.41520%0.204SC..  trans-87.1-45.2173.6-63.4173.7000110I194 T197 F201I194-I199 HydrophobicContact CD1-CB 4.31Å; I194-I199 HydrophobicContact CD1-CD1 4.06Å; I194-I199 HydrophobicContact CD1-CG2 4.24Å; I194-I199 HydrophobicContact CG2-CB 4.14Å; I194-I199 HydrophobicContact CG2-CG2 4.26Å; I194-I199 PolarHBondContact O-N 2.82Å; T197-I199 PolarHBondContact O-N 2.79Å; T197-I199 WeakPolarHBondContact OG1-CD1 3.39Å; I199-F201 HydrophobicContact CG2-CD1 3.93Å; I199-F201 HydrophobicContact CG2-CD2 3.99Å; I199-F201 HydrophobicContact CG2-CE1 3.56Å; I199-F201 HydrophobicContact CG2-CE2 3.65Å; I199-F201 HydrophobicContact CG2-CG 4.14Å; I199-F201 HydrophobicContact CG2-CZ 3.43Å; I199-F201 VanDerWaalsContact CG2-CZ 3.43Å; I199-F201 PolarHBondContact O-N 3.25Å
200G95.6Very high94.1Very high4 Ų443 Ų434%0.04121%0.214CC..  trans52.347.816600000117I94 Y96 I194 G202I94-G200 WeakPolarHBondContact O-CA 3.49Å; Y96-G200 WeakPolarHBondContact CA-O 3.26Å; I194-G200 VanDerWaalsContact CG2-N 3.34Å; I194-G200 PolarHBondContact O-N 2.92Å; G200-G202 PolarHBondContact O-N 2.9Å; G200-G202 VanDerWaalsContact O-N 3.08Å
201F95.9Very high93.2Very high130 Ų13041.6 Ų41.657%0.5721%0.212SC*.  trans-52-33-177.5-65.5-56.4000115.3Y190 I194 I199Y190-F201 VanDerWaalsContact OH-CD2 3.3Å; Y190-F201 WeakPolarHBondContact OH-CD2 3.34Å; I194-F201 HydrophobicContact CD1-CD2 3.99Å; I194-F201 HydrophobicContact CD1-CE2 3.64Å; I194-F201 HydrophobicContact CG1-CD2 4.16Å; I194-F201 HydrophobicContact CG1-CE2 4.3Å; I194-F201 HydrophobicContact CG2-CB 4.45Å; I194-F201 HydrophobicContact CG2-CD2 3.76Å; I194-F201 HydrophobicContact CG2-CE2 4.45Å; I194-F201 HydrophobicContact CG2-CG 4.3Å; I199-F201 HydrophobicContact CG2-CD1 3.93Å; I199-F201 HydrophobicContact CG2-CD2 3.99Å; I199-F201 HydrophobicContact CG2-CE1 3.56Å; I199-F201 HydrophobicContact CG2-CE2 3.65Å; I199-F201 HydrophobicContact CG2-CG 4.14Å; I199-F201 HydrophobicContact CG2-CZ 3.43Å; I199-F201 VanDerWaalsContact CG2-CZ 3.43Å; I199-F201 PolarHBondContact O-N 3.25Å
202G94.5Very high92.5Very high24 Ų2441.6 Ų41.625%0.24721%0.213CC..SBendtrans85.58.3175.400000115.2Y96 G200Y96-G202 VanDerWaalsContact O-CA 3.25Å; Y96-G202 WeakPolarHBondContact O-CA 3.39Å; G200-G202 PolarHBondContact O-N 2.9Å; G200-G202 VanDerWaalsContact O-N 3.08Å
203D95Very high91.8Very high88 Ų8842.1 Ų42.147%0.47122%0.215SC..SBendtrans-59.2-53162.245.54.6000111.5Y190Y190-D203 VanDerWaalsContact CE1-OD2 3.23Å; Y190-D203 WeakPolarHBondContact CE1-OD2 3.29Å; Y190-D203 PolarHBondContact OH-OD2 3.26Å
204F95.4Very high91.1Very high50 Ų5040.8 Ų40.822%0.21922%0.223CC..SBendtrans-109.2125.2172.6-68-94.6000110W183 D187 Y190 Y191W183-F204 AromaticContact CD2-CD1 3.87Å; W183-F204 HydrophobicContact CD2-CD1 3.87Å; W183-F204 HydrophobicContact CD2-CE1 4.41Å; W183-F204 AromaticContact CE2-CD1 3.79Å; W183-F204 HydrophobicContact CE3-CD1 4.13Å; W183-F204 HydrophobicContact CG-CD1 4.38Å; W183-F204 HydrophobicContact CG-CE1 4.47Å; W183-F204 HydrophobicContact CH2-CB 3.95Å; W183-F204 HydrophobicContact CH2-CD1 4.27Å; W183-F204 HydrophobicContact CZ2-CB 4.3Å; W183-F204 HydrophobicContact CZ2-CD1 4.01Å; W183-F204 HydrophobicContact CZ3-CB 4.24Å; W183-F204 HydrophobicContact CZ3-CD1 4.32Å; D187-F204 HydrophobicContact CB-CD1 4.32Å; D187-F204 HydrophobicContact CB-CE1 3.64Å; D187-F204 HydrophobicContact CB-CZ 3.76Å; D187-F204 WeakPolarHBondContact OD2-CZ 3.29Å; Y190-F204 HydrophobicContact CD1-CD2 4.01Å; Y190-F204 HydrophobicContact CD1-CE2 4.32Å; Y190-F204 AromaticContact CE1-CD2 3.86Å; Y190-F204 HydrophobicContact CE1-CD2 3.86Å; Y190-F204 HydrophobicContact CE1-CE2 4.25Å; Y191-F204 HydrophobicContact CD2-CB 3.96Å; Y191-F204 VanDerWaalsContact CD2-O 3.22Å; Y191-F204 WeakPolarHBondContact CD2-O 3.41Å; Y191-F204 WeakPolarHBondContact CE2-O 3.35Å; Y191-F204 HydrophobicContact CG-CB 4.31Å
205V94.3Very high90.6Very high11 Ų1147 Ų477%0.06725%0.249CC..  trans-143.2120.8177.6-172.30000109.6Y85 Y96 H98 Q208Y85-V205 HydrophobicContact CE1-CG1 4.06Å; Y96-V205 HydrophobicContact CD1-CG2 4.09Å; Y96-V205 HydrophobicContact CD2-CG1 4.09Å; Y96-V205 HydrophobicContact CE2-CG1 4.33Å; Y96-V205 HydrophobicContact CG-CG1 4.33Å; Y96-V205 HydrophobicContact CG-CG2 4.08Å; H98-V205 HydrophobicContact CB-CG2 4.24Å; V205-Q208 HydrophobicContact CB-CG 3.98Å; V205-Q208 HydrophobicContact CG1-CG 4.05Å; V205-Q208 WeakPolarHBondContact O-CG 3.11Å
206A92.8Very high90.2Very high0 Ų052.2 Ų52.20%027%0.269CS..THydrogen-bonded Turntrans-63.7165.3175.700000112.5F177 E181 Y191 Q208F177-A206 HydrophobicContact CD1-CB 4.01Å; F177-A206 HydrophobicContact CE1-CB 3.77Å; E181-A206 WeakPolarHBondContact OE1-CA 3.2Å; Y191-A206 HydrophobicContact CE1-CB 4.17Å; Y191-A206 WeakPolarHBondContact OH-CB 3.4Å; A206-Q208 PolarHBondContact O-N 3.45Å; A206-Q208 VanDerWaalsContact O-N 3.17Å
207L90Very high89.8Confident0 Ų056.6 Ų56.60%030%0.298CS..THydrogen-bonded Turntrans71.1-5.1177.8-47.4169.1000115.2Y85 E181 L213 Y219 V220Y85-L207 HydrophobicContact CD2-CD1 4.08Å; Y85-L207 HydrophobicContact CE2-CD1 4.04Å; Y85-L207 HydrophobicContact CG-CD1 4.35Å; E181-L207 PolarHBondContact OE1-N 3.46Å; L207-L213 HydrophobicContact CB-CB 4.35Å; L207-L213 HydrophobicContact CB-CD1 4.26Å; L207-L213 HydrophobicContact CD1-CD1 4.1Å; L207-L213 PolarHBondContact O-N 3.48Å; L207-Y219 HydrophobicContact CD2-CD1 3.54Å; L207-Y219 HydrophobicContact CD2-CD2 4.47Å; L207-Y219 HydrophobicContact CD2-CE1 3.65Å; L207-Y219 HydrophobicContact CD2-CG 3.96Å; L207-V220 HydrophobicContact CD1-CB 4.36Å; L207-V220 HydrophobicContact CD1-CG1 4.25Å; L207-V220 HydrophobicContact CD1-CG2 4.1Å; L207-V220 HydrophobicContact CD2-CB 4.39Å; L207-V220 HydrophobicContact CD2-CG2 3.88Å
208Q88.4Confident89.6Confident35 Ų3559 Ų5916%0.16431%0.309CS..  trans-79-29-176.8-62.1-58.5-73.500113.6A74 H98 V205 A206A74-Q208 WeakPolarHBondContact CA-O 3.28Å; A74-Q208 HydrophobicContact CB-CB 3.97Å; A74-Q208 HydrophobicContact CB-CG 4.48Å; A74-Q208 WeakPolarHBondContact CB-O 3.41Å; H98-Q208 PolarHBondContact CD2-NE2 2.98Å; H98-Q208 PolarHBondContact CD2-OE1 3.17Å; V205-Q208 HydrophobicContact CB-CG 3.98Å; V205-Q208 HydrophobicContact CG1-CG 4.05Å; V205-Q208 WeakPolarHBondContact O-CG 3.11Å; A206-Q208 PolarHBondContact O-N 3.45Å; A206-Q208 VanDerWaalsContact O-N 3.17Å
209R85.6Confident89.5Confident80 Ų8056.4 Ų56.430%0.30229%0.293SS..G310 helixtrans-73.8144-177.9-161.4171.4176.6138.8-5111.5E181 D182 N211 S212E181-R209 WeakPolarHBondContact O-CD 3.48Å; E181-R209 PolarHBondContact O-NH1 3.27Å; E181-R209 VanDerWaalsContact OE2-CB 3.23Å; E181-R209 WeakPolarHBondContact OE2-CB 3.37Å; D182-R209 IonicContact OD2-CZ 2.82Å; D182-R209 IonicContact OD2-NE 2.85Å; D182-R209 PolarHBondContact OD2-NE 3Å; D182-R209 VanDerWaalsContact OD2-NE 3.17Å; D182-R209 IonicContact OD2-NH1 2.84Å; D182-R209 IonicContact OD2-NH2 3.12Å; D182-R209 PolarHBondContact OD2-NH2 3.41Å; R209-N211 PolarHBondContact O-N 3.17Å; R209-S212 VanDerWaalsContact O-CB 3.3Å; R209-S212 WeakPolarHBondContact O-CB 3.48Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.03Å
210N81.3Confident89.2Confident94 Ų9453 Ų5350%0.50328%0.276SS..G310 helixtrans57.118.7170.5-63.7-29.5000117.4S212 K215N210-S212 VanDerWaalsContact C-N 3.27Å; N210-K215 WeakPolarHBondContact O-CD 3.41Å; N210-K215 WeakPolarHBondContact O-CE 3.16Å; N210-K215 PolarHBondContact O-NZ 2.92Å
211N79Confident89.1Confident50 Ų5054.9 Ų54.927%0.26729%0.291SS..G310 helixtrans58.534.2-167.4-55-0.9000112.9A74 G75 R209 L213 A214 K215A74-N211 PolarHBondContact O-OD1 3.38Å; G75-N211 WeakPolarHBondContact CA-OD1 3.44Å; R209-N211 PolarHBondContact O-N 3.17Å; N211-L213 PolarHBondContact O-N 3.14Å; N211-A214 PolarHBondContact O-N 3.14Å; N211-K215 PolarHBondContact O-N 3.04Å
212S83Confident88.9Confident4 Ų452.1 Ų52.13%0.02828%0.279CS..Hα-helixtrans-56.2-36.2-177-65.40000112.7R209 N210 A214 K215 R216R209-S212 VanDerWaalsContact O-CB 3.3Å; R209-S212 WeakPolarHBondContact O-CB 3.48Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.03Å; N210-S212 VanDerWaalsContact C-N 3.27Å; S212-A214 PolarHBondContact O-N 3.19Å; S212-K215 PolarHBondContact O-N 2.97Å; S212-R216 PolarHBondContact O-N 3.34Å
213L82.8Confident88.9Confident10 Ų1051 Ų515%0.05227%0.267CS..Hα-helixtrans-50.5-25.6173.3-17161.1000115.4A81 L207 N211 V220A81-L213 HydrophobicContact CB-CD1 4.2Å; L207-L213 HydrophobicContact CB-CB 4.35Å; L207-L213 HydrophobicContact CB-CD1 4.26Å; L207-L213 HydrophobicContact CD1-CD1 4.1Å; L207-L213 PolarHBondContact O-N 3.48Å; N211-L213 PolarHBondContact O-N 3.14Å; L213-V220 HydrophobicContact CD1-CG2 4.04Å
214A81.9Confident88.9Confident71 Ų7147.7 Ų47.759%0.58725%0.249SC*.Hα-helixtrans-109.1-21.2175.900000113.9N211 S212N211-A214 PolarHBondContact O-N 3.14Å; S212-A214 PolarHBondContact O-N 3.19Å
215K85.7Confident88.8Confident144 Ų14450.8 Ų50.863%0.62627%0.267SS*.Hα-helixtrans-97.6-24-175.5-67.2177.7-175.7164.10114.6N210 N211 S212N210-K215 WeakPolarHBondContact O-CD 3.41Å; N210-K215 WeakPolarHBondContact O-CE 3.16Å; N210-K215 PolarHBondContact O-NZ 2.92Å; N211-K215 PolarHBondContact O-N 3.04Å; S212-K215 PolarHBondContact O-N 2.97Å
216R88.3Confident88.9Confident110 Ų11051 Ų5142%0.41527%0.267SS..  trans-131.972.1-171.2-70.6-177.2173.2169.4-5.2111.4S212 D218 Y219 V220S212-R216 PolarHBondContact O-N 3.34Å; R216-D218 WeakPolarHBondContact CA-OD1 3.45Å; R216-D218 WeakPolarHBondContact CB-OD1 3.42Å; R216-D218 PolarHBondContact O-N 3.23Å; R216-Y219 PolarHBondContact O-N 3.11Å; R216-Y219 VanDerWaalsContact O-N 3.13Å; R216-V220 WeakPolarHBondContact O-CG2 3.48Å; R216-V220 PolarHBondContact O-N 3.23Å
217P88.4Confident89.1Confident99 Ų9951 Ų5164%0.64327%0.267SS*.Hα-helixtrans-65-24.4-179.928.8-35.5000113A221P217-A221 WeakPolarHBondContact O-CB 3.43Å; P217-A221 PolarHBondContact O-N 3.35Å
218D91.5Very high89.3Confident98 Ų9854.1 Ų54.152%0.52428%0.283SS..Hα-helixtrans-58.2-48.7168.258.8-46.2000112R216 A221 F222R216-D218 WeakPolarHBondContact CA-OD1 3.45Å; R216-D218 WeakPolarHBondContact CB-OD1 3.42Å; R216-D218 PolarHBondContact O-N 3.23Å; D218-A221 PolarHBondContact O-N 2.9Å; D218-F222 PolarHBondContact O-N 3.17Å
219Y92.3Very high89.6Confident2 Ų257.3 Ų57.31%0.00830%0.297CS..Hα-helixtrans-72.7-34.7178.5179-139.8000112F177 Y180 E181 L207 R216 A221 F222 S223F177-Y219 HydrophobicContact CD1-CE2 4.3Å; F177-Y219 WeakPolarHBondContact CD1-OH 3.34Å; F177-Y219 HydrophobicContact CE1-CE2 4.05Å; Y180-Y219 AromaticContact CD1-CD1 3.92Å; Y180-Y219 HydrophobicContact CD1-CD1 3.92Å; Y180-Y219 AromaticContact CD1-CD2 3.64Å; Y180-Y219 HydrophobicContact CD1-CD2 3.64Å; Y180-Y219 HydrophobicContact CD1-CE1 4.12Å; Y180-Y219 AromaticContact CD1-CE2 3.88Å; Y180-Y219 HydrophobicContact CD1-CE2 3.88Å; Y180-Y219 AromaticContact CD1-CG 3.69Å; Y180-Y219 HydrophobicContact CD1-CG 3.69Å; Y180-Y219 AromaticContact CE1-CD2 3.99Å; Y180-Y219 HydrophobicContact CE1-CD2 3.99Å; Y180-Y219 HydrophobicContact CE1-CG 4.01Å; Y180-Y219 HydrophobicContact CG-CD2 4.01Å; Y180-Y219 HydrophobicContact CG-CE1 4.46Å; Y180-Y219 AromaticContact CG-CE2 3.81Å; Y180-Y219 HydrophobicContact CG-CE2 3.81Å; Y180-Y219 HydrophobicContact CG-CG 4.46Å; E181-Y219 WeakPolarHBondContact CG-OH 3.29Å; E181-Y219 WeakPolarHBondContact OE1-CE1 3.32Å; E181-Y219 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y219 PolarHBondContact OE1-OH 2.92Å; L207-Y219 HydrophobicContact CD2-CD1 3.54Å; L207-Y219 HydrophobicContact CD2-CD2 4.47Å; L207-Y219 HydrophobicContact CD2-CE1 3.65Å; L207-Y219 HydrophobicContact CD2-CG 3.96Å; R216-Y219 PolarHBondContact O-N 3.11Å; R216-Y219 VanDerWaalsContact O-N 3.13Å; Y219-A221 VanDerWaalsContact C-N 3.35Å; Y219-F222 HydrophobicContact CD2-CD1 4.26Å; Y219-F222 HydrophobicContact CE2-CD1 4.35Å; Y219-F222 PolarHBondContact O-N 2.95Å; Y219-S223 WeakPolarHBondContact CE2-OG 3.29Å; Y219-S223 PolarHBondContact O-N 3.46Å; Y219-S223 PolarHBondContact O-OG 3.15Å; Y219-S223 VanDerWaalsContact O-OG 3.07Å
220V91.7Very high90Very high9 Ų953.6 Ų53.66%0.05528%0.283CS..Hα-helixtrans-58.4-47.4169.31780000110.7A81 L207 L213 R216 S223 L224A81-V220 HydrophobicContact CB-CG1 4.38Å; L207-V220 HydrophobicContact CD1-CB 4.36Å; L207-V220 HydrophobicContact CD1-CG1 4.25Å; L207-V220 HydrophobicContact CD1-CG2 4.1Å; L207-V220 HydrophobicContact CD2-CB 4.39Å; L207-V220 HydrophobicContact CD2-CG2 3.88Å; L213-V220 HydrophobicContact CD1-CG2 4.04Å; R216-V220 WeakPolarHBondContact O-CG2 3.48Å; R216-V220 PolarHBondContact O-N 3.23Å; V220-S223 PolarHBondContact O-N 3.07Å; V220-L224 HydrophobicContact CG1-CD1 3.86Å; V220-L224 WeakPolarHBondContact O-CD1 3.44Å; V220-L224 WeakPolarHBondContact O-CG 3.09Å; V220-L224 PolarHBondContact O-N 3Å
221A92.4Very high90.7Very high44 Ų4449.6 Ų49.636%0.36426%0.262SS..Hα-helixtrans-64-42.8178.400000112.2P217 D218 Y219 S223 L224 I225P217-A221 WeakPolarHBondContact O-CB 3.43Å; P217-A221 PolarHBondContact O-N 3.35Å; D218-A221 PolarHBondContact O-N 2.9Å; Y219-A221 VanDerWaalsContact C-N 3.35Å; A221-S223 PolarHBondContact O-N 3.29Å; A221-L224 PolarHBondContact O-N 3.29Å; A221-I225 WeakPolarHBondContact O-CB 3.36Å; A221-I225 WeakPolarHBondContact O-CD1 3.43Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 2.93Å
222F93.6Very high91.4Very high72 Ų7247.9 Ų47.932%0.31625%0.253SS..Hα-helixtrans-55.7-51.2173.1171.4-92.9000111.7V176 F177 D218 Y219 L224 I225 F226V176-F222 HydrophobicContact CB-CE1 4.09Å; V176-F222 HydrophobicContact CB-CZ 3.9Å; V176-F222 HydrophobicContact CG1-CD1 4.16Å; V176-F222 HydrophobicContact CG1-CE1 3.47Å; V176-F222 VanDerWaalsContact CG1-CE1 3.47Å; V176-F222 HydrophobicContact CG1-CE2 4.38Å; V176-F222 HydrophobicContact CG1-CZ 3.6Å; V176-F222 HydrophobicContact CG2-CZ 3.98Å; F177-F222 HydrophobicContact CE1-CE1 4.4Å; F177-F222 HydrophobicContact CE2-CE1 4.34Å; F177-F222 AromaticContact CZ-CE1 3.97Å; F177-F222 HydrophobicContact CZ-CE1 3.97Å; D218-F222 PolarHBondContact O-N 3.17Å; Y219-F222 HydrophobicContact CD2-CD1 4.26Å; Y219-F222 HydrophobicContact CE2-CD1 4.35Å; Y219-F222 PolarHBondContact O-N 2.95Å; F222-L224 VanDerWaalsContact C-N 3.34Å; F222-L224 PolarHBondContact O-N 2.86Å; F222-I225 PolarHBondContact O-N 3.34Å; F222-F226 HydrophobicContact CE1-CB 4.35Å; F222-F226 HydrophobicContact CZ-CB 4.4Å; F222-F226 WeakPolarHBondContact O-CB 3.41Å; F222-F226 PolarHBondContact O-N 3.13Å
223S93.9Very high91.9Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-62.5-39.6-177.3-62.90000112.4Y219 V220 A221 F226 I227Y219-S223 WeakPolarHBondContact CE2-OG 3.29Å; Y219-S223 PolarHBondContact O-N 3.46Å; Y219-S223 PolarHBondContact O-OG 3.15Å; Y219-S223 VanDerWaalsContact O-OG 3.07Å; V220-S223 PolarHBondContact O-N 3.07Å; A221-S223 PolarHBondContact O-N 3.29Å; S223-F226 PolarHBondContact O-N 2.95Å; S223-I227 VanDerWaalsContact O-CG1 3.29Å; S223-I227 WeakPolarHBondContact O-CG1 3.41Å; S223-I227 PolarHBondContact O-N 3.45Å
224L94Very high92.4Very high19 Ų1949.4 Ų49.410%0.09926%0.263CS..Hα-helixtrans-65.5-44.1174.6-70.7164.4000112.2F84 Y85 T88 V220 A221 F222 I227 L228F84-L224 HydrophobicContact CD1-CD1 3.67Å; F84-L224 HydrophobicContact CD1-CD2 3.98Å; F84-L224 HydrophobicContact CD1-CG 4.49Å; F84-L224 HydrophobicContact CE1-CD1 3.8Å; F84-L224 HydrophobicContact CE1-CD2 3.99Å; F84-L224 HydrophobicContact CE1-CG 4.47Å; Y85-L224 HydrophobicContact CD2-CD2 3.99Å; T88-L224 HydrophobicContact CG2-CD2 4.24Å; V220-L224 HydrophobicContact CG1-CD1 3.86Å; V220-L224 WeakPolarHBondContact O-CD1 3.44Å; V220-L224 WeakPolarHBondContact O-CG 3.09Å; V220-L224 PolarHBondContact O-N 3Å; A221-L224 PolarHBondContact O-N 3.29Å; F222-L224 VanDerWaalsContact C-N 3.34Å; F222-L224 PolarHBondContact O-N 2.86Å; L224-I227 PolarHBondContact O-N 3.48Å; L224-L228 WeakPolarHBondContact O-CG 3.25Å; L224-L228 PolarHBondContact O-N 3.31Å
225I94.9Very high92.9Very high114 Ų11447.1 Ų47.159%0.58524%0.242SC*.Hα-helixtrans-64.5-41.5176.9-69.4165.9000110.7A221 F222 L228 F229A221-I225 WeakPolarHBondContact O-CB 3.36Å; A221-I225 WeakPolarHBondContact O-CD1 3.43Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 2.93Å; F222-I225 PolarHBondContact O-N 3.34Å; I225-L228 PolarHBondContact O-N 2.95Å; I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 3.06Å
226F96Very high93.2Very high15 Ų1540.2 Ų40.27%0.06621%0.212CC..Hα-helixtrans-59.1-48.4175.4174-95.2000111.8V169 G173 F177 C192 L196 F222 S223 G230V169-F226 HydrophobicContact CG1-CD2 4.44Å; V169-F226 HydrophobicContact CG1-CE2 3.82Å; V169-F226 HydrophobicContact CG1-CZ 4.43Å; G173-F226 VanDerWaalsContact CA-CE2 3.48Å; F177-F226 AromaticContact CE2-CD1 3.67Å; F177-F226 HydrophobicContact CE2-CD1 3.67Å; F177-F226 HydrophobicContact CE2-CD2 4.48Å; F177-F226 AromaticContact CE2-CE1 3.74Å; F177-F226 HydrophobicContact CE2-CE1 3.74Å; F177-F226 HydrophobicContact CE2-CG 4.06Å; F177-F226 HydrophobicContact CE2-CZ 4.2Å; F177-F226 AromaticContact CZ-CD1 3.97Å; F177-F226 HydrophobicContact CZ-CD1 3.97Å; F177-F226 HydrophobicContact CZ-CE1 4.44Å; F177-F226 HydrophobicContact CZ-CG 4.32Å; C192-F226 HydrophobicContact CB-CE1 4.49Å; C192-F226 HydrophobicContact CB-CZ 4.1Å; L196-F226 HydrophobicContact CD1-CE1 4.26Å; L196-F226 HydrophobicContact CD1-CZ 3.95Å; L196-F226 HydrophobicContact CD2-CE1 4.24Å; L196-F226 HydrophobicContact CG-CE1 4.27Å; L196-F226 HydrophobicContact CG-CZ 4.44Å; F222-F226 HydrophobicContact CE1-CB 4.35Å; F222-F226 HydrophobicContact CZ-CB 4.4Å; F222-F226 WeakPolarHBondContact O-CB 3.41Å; F222-F226 PolarHBondContact O-N 3.13Å; S223-F226 PolarHBondContact O-N 2.95Å; F226-G230 PolarHBondContact O-N 3.07Å
227I95.4Very high93.4Very high0 Ų036.4 Ų36.40%020%0.201CC..Hα-helixtrans-60.8-51.4177.9-70.3167.1000110.5Y85 I94 T195 S223 L224 F229 G230 L231Y85-I227 HydrophobicContact CE2-CD1 3.99Å; I94-I227 HydrophobicContact CD1-CG2 3.75Å; T195-I227 HydrophobicContact CG2-CD1 4.31Å; T195-I227 HydrophobicContact CG2-CG1 3.84Å; S223-I227 VanDerWaalsContact O-CG1 3.29Å; S223-I227 WeakPolarHBondContact O-CG1 3.41Å; S223-I227 PolarHBondContact O-N 3.45Å; L224-I227 PolarHBondContact O-N 3.48Å; I227-F229 PolarHBondContact O-N 2.93Å; I227-G230 PolarHBondContact O-N 3.37Å; I227-L231 HydrophobicContact CG2-CD1 3.71Å; I227-L231 HydrophobicContact CG2-CG 4.37Å; I227-L231 VanDerWaalsContact O-CB 3.31Å; I227-L231 WeakPolarHBondContact O-CB 3.38Å; I227-L231 WeakPolarHBondContact O-CG 3.44Å; I227-L231 PolarHBondContact O-N 3.3Å
228L94.5Very high93.5Very high66 Ų6636.6 Ų36.635%0.34619%0.194SC..Hα-helixtrans-65.1-38.5-177.7-67.4172.8000112.8F125 L224 I225 T232F125-L228 HydrophobicContact CE1-CD2 4.47Å; F125-L228 HydrophobicContact CZ-CD2 4.09Å; L224-L228 WeakPolarHBondContact O-CG 3.25Å; L224-L228 PolarHBondContact O-N 3.31Å; I225-L228 PolarHBondContact O-N 2.95Å; L228-T232 WeakPolarHBondContact O-CB 3.16Å; L228-T232 PolarHBondContact O-N 3.35Å; L228-T232 VanDerWaalsContact O-N 3.13Å; L228-T232 PolarHBondContact O-OG1 2.98Å
229F94.9Very high93.4Very high103 Ų10332.2 Ų32.245%0.45217%0.171SC..Hα-helixtrans-72.8-44.6176.7-174.3-107.8000111.9V169 I225 I227 L231 T232 V233V169-F229 HydrophobicContact CG2-CD1 4.01Å; V169-F229 HydrophobicContact CG2-CE1 3.65Å; I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 3.06Å; I227-F229 PolarHBondContact O-N 2.93Å; F229-L231 PolarHBondContact O-N 3.39Å; F229-T232 WeakPolarHBondContact O-CA 3.21Å; F229-T232 VanDerWaalsContact O-CB 3.29Å; F229-T232 WeakPolarHBondContact O-CB 3.25Å; F229-T232 PolarHBondContact O-N 3.43Å; F229-T232 VanDerWaalsContact O-N 3.13Å; F229-V233 HydrophobicContact CD1-CG2 4.38Å; F229-V233 HydrophobicContact CE1-CG2 4.04Å; F229-V233 HydrophobicContact CZ-CG2 4.18Å; F229-V233 WeakPolarHBondContact O-CG2 3.41Å; F229-V233 PolarHBondContact O-N 3.5Å
230G95.2Very high93.2Very high1 Ų132.7 Ų32.71%0.0117%0.174CC..Hα-helixtrans-61.7-44177.600000112.7F226 I227 T232 V233 V234F226-G230 PolarHBondContact O-N 3.07Å; I227-G230 PolarHBondContact O-N 3.37Å; G230-T232 VanDerWaalsContact C-N 3.29Å; G230-T232 PolarHBondContact O-N 2.82Å; G230-V233 PolarHBondContact O-N 3.44Å; G230-V233 VanDerWaalsContact O-N 3.11Å; G230-V234 WeakPolarHBondContact O-CG2 3.34Å; G230-V234 PolarHBondContact O-N 2.92Å
231L95.1Very high93Very high11 Ų1134.8 Ų34.86%0.05818%0.184CC..Hα-helixtrans-64.3-33.4173.6-69.9174.1000112.1T92 I94 F125 L196 T198 I227 F229 S235T92-L231 HydrophobicContact CG2-CD1 3.73Å; I94-L231 HydrophobicContact CD1-CD1 4.32Å; F125-L231 HydrophobicContact CD1-CB 4.21Å; F125-L231 HydrophobicContact CE1-CB 3.59Å; F125-L231 HydrophobicContact CE1-CD1 4.49Å; F125-L231 HydrophobicContact CE2-CB 4.01Å; F125-L231 HydrophobicContact CE2-CD1 3.84Å; F125-L231 HydrophobicContact CZ-CB 3.47Å; F125-L231 VanDerWaalsContact CZ-CB 3.47Å; F125-L231 HydrophobicContact CZ-CD1 3.57Å; F125-L231 HydrophobicContact CZ-CG 4.19Å; L196-L231 HydrophobicContact CD2-CG 4.27Å; L196-L231 WeakPolarHBondContact O-CD2 3.42Å; T198-L231 HydrophobicContact CG2-CD2 3.52Å; I227-L231 HydrophobicContact CG2-CD1 3.71Å; I227-L231 HydrophobicContact CG2-CG 4.37Å; I227-L231 VanDerWaalsContact O-CB 3.31Å; I227-L231 WeakPolarHBondContact O-CB 3.38Å; I227-L231 WeakPolarHBondContact O-CG 3.44Å; I227-L231 PolarHBondContact O-N 3.3Å; F229-L231 PolarHBondContact O-N 3.39Å; L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 2.9Å
232T94.2Very high92.7Very high13 Ų1335.9 Ų35.98%0.0819%0.186CC..Hα-helixtrans-63.5-41171-63.60000111.7I128 M132 L228 F229 G230 S235 S236I128-T232 HydrophobicContact CB-CG2 4.12Å; I128-T232 HydrophobicContact CG2-CG2 3.41Å; I128-T232 VanDerWaalsContact CG2-CG2 3.41Å; M132-T232 HydrophobicContact SD-CG2 4.46Å; L228-T232 WeakPolarHBondContact O-CB 3.16Å; L228-T232 PolarHBondContact O-N 3.35Å; L228-T232 VanDerWaalsContact O-N 3.13Å; L228-T232 PolarHBondContact O-OG1 2.98Å; F229-T232 WeakPolarHBondContact O-CA 3.21Å; F229-T232 VanDerWaalsContact O-CB 3.29Å; F229-T232 WeakPolarHBondContact O-CB 3.25Å; F229-T232 PolarHBondContact O-N 3.43Å; F229-T232 VanDerWaalsContact O-N 3.13Å; G230-T232 VanDerWaalsContact C-N 3.29Å; G230-T232 PolarHBondContact O-N 2.82Å; T232-S235 PolarHBondContact O-N 3.48Å; T232-S236 WeakPolarHBondContact O-CB 3.37Å; T232-S236 PolarHBondContact O-N 3.39Å
233V94Very high92Very high2 Ų235.5 Ų35.51%0.01219%0.187CC..Hα-helixtrans-67.3-45176.9177.80000111.4M132 I165 V169 F229 G230 S236 V237M132-V233 HydrophobicContact CE-CB 4.2Å; M132-V233 HydrophobicContact CE-CG1 4.38Å; M132-V233 HydrophobicContact CE-CG2 3.88Å; M132-V233 HydrophobicContact SD-CG2 4.09Å; I165-V233 HydrophobicContact CB-CG1 4.48Å; I165-V233 HydrophobicContact CG2-CG1 3.98Å; I165-V233 HydrophobicContact CG2-CG2 4Å; V169-V233 HydrophobicContact CG2-CG2 4.35Å; F229-V233 HydrophobicContact CD1-CG2 4.38Å; F229-V233 HydrophobicContact CE1-CG2 4.04Å; F229-V233 HydrophobicContact CZ-CG2 4.18Å; F229-V233 WeakPolarHBondContact O-CG2 3.41Å; F229-V233 PolarHBondContact O-N 3.5Å; G230-V233 PolarHBondContact O-N 3.44Å; G230-V233 VanDerWaalsContact O-N 3.11Å; V233-S236 WeakPolarHBondContact O-CB 3.18Å; V233-S236 PolarHBondContact O-N 3.49Å; V233-V237 PolarHBondContact O-N 3.09Å; V233-V237 VanDerWaalsContact O-N 3.12Å
234V93.1Very high91.6Very high45 Ų4543 Ų4327%0.27322%0.216SC..Hα-helixtrans-61.5-45.6174.71740000110.7L196 G230 S236 V237 M238L196-V234 HydrophobicContact CB-CG2 4.22Å; G230-V234 WeakPolarHBondContact O-CG2 3.34Å; G230-V234 PolarHBondContact O-N 2.92Å; V234-S236 VanDerWaalsContact C-N 3.3Å; V234-S236 PolarHBondContact O-N 2.9Å; V234-V237 PolarHBondContact O-N 3.42Å; V234-V237 VanDerWaalsContact O-N 3.14Å; V234-M238 HydrophobicContact CG1-CE 4.37Å; V234-M238 HydrophobicContact CG1-CG 4.22Å; V234-M238 WeakPolarHBondContact O-CG 3.3Å; V234-M238 PolarHBondContact O-N 3.25Å
235S92.6Very high91Very high22 Ų2247.7 Ų47.715%0.15424%0.236CC..Hα-helixtrans-60.9-37.3175.8-171.40000112.5F125 Q126 L231 T232 V237 M238 N239F125-S235 VanDerWaalsContact C-OG 3.27Å; F125-S235 PolarHBondContact O-OG 2.87Å; Q126-S235 PolarHBondContact N-OG 3.45Å; L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 2.9Å; T232-S235 PolarHBondContact O-N 3.48Å; S235-V237 PolarHBondContact O-N 2.95Å; S235-M238 PolarHBondContact O-N 3Å; S235-N239 VanDerWaalsContact O-CB 3.25Å; S235-N239 WeakPolarHBondContact O-CB 3.32Å; S235-N239 PolarHBondContact O-N 3.03Å
236S92.2Very high90.4Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-61.6-41.4174-1690000112.4G129 M132 N133 T232 V233 V234 L240G129-S236 PolarHBondContact O-OG 3.17Å; M132-S236 WeakPolarHBondContact CE-OG 3.25Å; N133-S236 PolarHBondContact ND2-O 3.19Å; N133-S236 PolarHBondContact ND2-OG 3.42Å; N133-S236 PolarHBondContact OD1-OG 2.95Å; T232-S236 WeakPolarHBondContact O-CB 3.37Å; T232-S236 PolarHBondContact O-N 3.39Å; V233-S236 WeakPolarHBondContact O-CB 3.18Å; V233-S236 PolarHBondContact O-N 3.49Å; V234-S236 VanDerWaalsContact C-N 3.3Å; V234-S236 PolarHBondContact O-N 2.9Å; S236-L240 WeakPolarHBondContact O-CG 3.4Å; S236-L240 PolarHBondContact O-N 3.26Å
237V90.8Very high89.8Confident29 Ų2948.7 Ų48.718%0.17625%0.245CC..Hα-helixtrans-68.2-46.6174.2175.60000111V233 V234 S235 N239 L240 L241V233-V237 PolarHBondContact O-N 3.09Å; V233-V237 VanDerWaalsContact O-N 3.12Å; V234-V237 PolarHBondContact O-N 3.42Å; V234-V237 VanDerWaalsContact O-N 3.14Å; S235-V237 PolarHBondContact O-N 2.95Å; V237-N239 VanDerWaalsContact C-N 3.3Å; V237-N239 PolarHBondContact O-N 2.94Å; V237-L240 PolarHBondContact O-N 3.35Å; V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 PolarHBondContact O-N 3.38Å; V237-L241 VanDerWaalsContact O-N 3.12Å
238M91Very high88.9Confident103 Ų10352.7 Ų52.751%0.50726%0.264SS..Hα-helixtrans-61.6-38.2179.1-69-59.5177.500111.8V234 S235 L240 L241 V242V234-M238 HydrophobicContact CG1-CE 4.37Å; V234-M238 HydrophobicContact CG1-CG 4.22Å; V234-M238 WeakPolarHBondContact O-CG 3.3Å; V234-M238 PolarHBondContact O-N 3.25Å; S235-M238 PolarHBondContact O-N 3Å; M238-L240 VanDerWaalsContact C-N 3.35Å; M238-L240 PolarHBondContact O-N 2.83Å; M238-L241 PolarHBondContact O-N 2.96Å; M238-L241 HydrophobicContact SD-CD1 4.13Å; M238-V242 VanDerWaalsContact O-CB 3.3Å; M238-V242 WeakPolarHBondContact O-CB 3.41Å; M238-V242 VanDerWaalsContact O-CG2 3.25Å; M238-V242 WeakPolarHBondContact O-CG2 3.45Å; M238-V242 PolarHBondContact O-N 3.12Å
239N89.5Confident88.2Confident7 Ų751.8 Ų51.84%0.03726%0.26CS..Hα-helixtrans-60.8-41.4175.9-174.963.9000112Q126 E130 S235 V237 L243Q126-N239 PolarHBondContact NE2-OD1 3.5Å; E130-N239 WeakPolarHBondContact CG-ND2 3.35Å; S235-N239 VanDerWaalsContact O-CB 3.25Å; S235-N239 WeakPolarHBondContact O-CB 3.32Å; S235-N239 PolarHBondContact O-N 3.03Å; V237-N239 VanDerWaalsContact C-N 3.3Å; V237-N239 PolarHBondContact O-N 2.94Å; N239-L243 VanDerWaalsContact O-CB 3.22Å; N239-L243 WeakPolarHBondContact O-CB 3.41Å; N239-L243 WeakPolarHBondContact O-CD1 3.41Å; N239-L243 WeakPolarHBondContact O-CG 3.38Å; N239-L243 PolarHBondContact O-N 3.3Å
240L88.3Confident87.7Confident11 Ų1149.6 Ų49.66%0.05826%0.255CS..Hα-helixtrans-64.6-42.5174.8-61.2172.1000112.2N133 L158 M159 S236 V237 M238 R244N133-L240 WeakPolarHBondContact OD1-CD1 3.17Å; L158-L240 HydrophobicContact CB-CD1 4.44Å; L158-L240 HydrophobicContact CD2-CD1 4.47Å; L158-L240 HydrophobicContact CD2-CD2 3.69Å; L158-L240 HydrophobicContact CG-CD1 3.91Å; L158-L240 HydrophobicContact CG-CD2 4.07Å; M159-L240 HydrophobicContact CB-CD1 4.35Å; M159-L240 HydrophobicContact CG-CB 3.97Å; M159-L240 HydrophobicContact CG-CD1 3.75Å; M159-L240 HydrophobicContact CG-CG 4.49Å; S236-L240 WeakPolarHBondContact O-CG 3.4Å; S236-L240 PolarHBondContact O-N 3.26Å; V237-L240 PolarHBondContact O-N 3.35Å; M238-L240 VanDerWaalsContact C-N 3.35Å; M238-L240 PolarHBondContact O-N 2.83Å; L240-R244 WeakPolarHBondContact O-CB 3.37Å; L240-R244 PolarHBondContact O-N 3.18Å; L240-R244 VanDerWaalsContact O-N 3.08Å
241L87.4Confident87Confident54 Ų5453.9 Ų53.928%0.28328%0.275SS..Hα-helixtrans-65.1-50.1178.1-71.7168.9000111.5M159 V237 M238 R244 F245M159-L241 HydrophobicContact CE-CD2 3.47Å; M159-L241 VanDerWaalsContact CE-CD2 3.47Å; M159-L241 HydrophobicContact CE-CG 4.26Å; V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 PolarHBondContact O-N 3.38Å; V237-L241 VanDerWaalsContact O-N 3.12Å; M238-L241 PolarHBondContact O-N 2.96Å; M238-L241 HydrophobicContact SD-CD1 4.13Å; L241-R244 PolarHBondContact O-N 3.28Å; L241-F245 WeakPolarHBondContact O-CD2 3.46Å; L241-F245 PolarHBondContact O-N 3.03Å
242V86.5Confident86.3Confident67 Ų6755.5 Ų55.541%0.40628%0.284SS..Hα-helixtrans-61.1-46.6178.4169.10000110.5M238 R244 F245 L246M238-V242 VanDerWaalsContact O-CB 3.3Å; M238-V242 WeakPolarHBondContact O-CB 3.41Å; M238-V242 VanDerWaalsContact O-CG2 3.25Å; M238-V242 WeakPolarHBondContact O-CG2 3.45Å; M238-V242 PolarHBondContact O-N 3.12Å; V242-R244 VanDerWaalsContact C-N 3.3Å; V242-R244 PolarHBondContact O-N 3.25Å; V242-F245 PolarHBondContact O-N 3.43Å; V242-L246 HydrophobicContact CG1-CD1 3.62Å; V242-L246 HydrophobicContact CG1-CG 4.06Å; V242-L246 VanDerWaalsContact O-CB 3.31Å; V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 VanDerWaalsContact O-CG 3.25Å; V242-L246 WeakPolarHBondContact O-CG 3.43Å; V242-L246 PolarHBondContact O-N 2.91Å
243L79.6Confident85.8Confident64 Ų6458.9 Ų58.934%0.33530%0.298SS..Hα-helixtrans-55.4-45.8174.3-76.8169.1000111.2N239 F245 L246 T247N239-L243 VanDerWaalsContact O-CB 3.22Å; N239-L243 WeakPolarHBondContact O-CB 3.41Å; N239-L243 WeakPolarHBondContact O-CD1 3.41Å; N239-L243 WeakPolarHBondContact O-CG 3.38Å; N239-L243 PolarHBondContact O-N 3.3Å; L243-F245 PolarHBondContact O-N 2.74Å; L243-L246 PolarHBondContact O-N 3.03Å; L243-T247 WeakPolarHBondContact O-CG2 3.4Å; L243-T247 PolarHBondContact O-N 2.94Å; L243-T247 PolarHBondContact O-OG1 2.91Å
244R83.7Confident85.4Confident157 Ų15764.6 Ų64.659%0.59232%0.323SS*.Hα-helixtrans-64.7-38.4178.8-173178177.8-166.4-4113.5L240 L241 V242 T247 M248L240-R244 WeakPolarHBondContact O-CB 3.37Å; L240-R244 PolarHBondContact O-N 3.18Å; L240-R244 VanDerWaalsContact O-N 3.08Å; L241-R244 PolarHBondContact O-N 3.28Å; V242-R244 VanDerWaalsContact C-N 3.3Å; V242-R244 PolarHBondContact O-N 3.25Å; R244-T247 PolarHBondContact O-OG1 3.2Å; R244-M248 WeakPolarHBondContact O-CB 3.23Å; R244-M248 PolarHBondContact O-N 2.93Å
245F82.9Confident85Confident118 Ų11868.7 Ų68.752%0.51833%0.334SS..Hα-helixtrans-75.7-30.1176.9-75.5-62.1000113.4R7 L241 V242 L243 M248 N249R7-F245 PolarHBondContact NH2-O 3.03Å; R7-F245 VanDerWaalsContact NH2-O 3.08Å; L241-F245 WeakPolarHBondContact O-CD2 3.46Å; L241-F245 PolarHBondContact O-N 3.03Å; V242-F245 PolarHBondContact O-N 3.43Å; L243-F245 PolarHBondContact O-N 2.74Å; F245-M248 HydrophobicContact CD1-CE 4.28Å; F245-N249 PolarHBondContact O-N 2.74Å
246L82.6Confident84.7Confident87 Ų8770 Ų7046%0.45534%0.339SS..Hα-helixtrans-74.6-44.3174.2-71.7178.7000111.9V242 L243 M248 N249 T250V242-L246 HydrophobicContact CG1-CD1 3.62Å; V242-L246 HydrophobicContact CG1-CG 4.06Å; V242-L246 VanDerWaalsContact O-CB 3.31Å; V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 VanDerWaalsContact O-CG 3.25Å; V242-L246 WeakPolarHBondContact O-CG 3.43Å; V242-L246 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 3.03Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 PolarHBondContact O-N 3.3Å; L246-N249 WeakPolarHBondContact O-CB 3.22Å; L246-N249 PolarHBondContact O-N 3.43Å; L246-T250 WeakPolarHBondContact O-CG2 3.32Å; L246-T250 PolarHBondContact O-N 3.21Å; L246-T250 PolarHBondContact O-OG1 3.13Å
247T82.4Confident84.4Confident63 Ų6376.3 Ų76.339%0.38737%0.368SS..Hα-helixtrans-59-45.417555.40000110.2L243 R244 N249 T250 E251L243-T247 WeakPolarHBondContact O-CG2 3.4Å; L243-T247 PolarHBondContact O-N 2.94Å; L243-T247 PolarHBondContact O-OG1 2.91Å; R244-T247 PolarHBondContact O-OG1 3.2Å; T247-N249 PolarHBondContact O-N 2.92Å; T247-T250 CarbonylContact O-C 3.57Å; T247-T250 PolarHBondContact O-N 3.47Å; T247-T250 PolarHBondContact O-OG1 3.05Å; T247-E251 WeakPolarHBondContact O-CB 3.3Å; T247-E251 WeakPolarHBondContact O-CG 3.32Å; T247-E251 PolarHBondContact O-N 3.34Å
248M77.1Confident84.4Confident83 Ų8380.6 Ų80.641%0.40939%0.39SS..Hα-helixtrans-54.8-48.2174.9-166.6172.88400112.2R7 R244 F245 L246 T250 E251 D252R7-M248 VanDerWaalsContact NH1-CE 3.29Å; R244-M248 WeakPolarHBondContact O-CB 3.23Å; R244-M248 PolarHBondContact O-N 2.93Å; F245-M248 HydrophobicContact CD1-CE 4.28Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 PolarHBondContact O-N 3.3Å; M248-T250 PolarHBondContact O-N 2.97Å; M248-E251 PolarHBondContact O-N 3.41Å; M248-D252 WeakPolarHBondContact O-CB 3.39Å; M248-D252 PolarHBondContact O-N 3.01Å
249N79.7Confident84.2Confident48 Ų4879.3 Ų79.326%0.25738%0.382SS..Hα-helixtrans-53.9-50.9171.8-102.4-15.3000112.1R7 F245 L246 T247 E251 D252 E253R7-N249 PolarHBondContact NH1-OD1 2.93Å; R7-N249 PolarHBondContact NH2-OD1 3.42Å; F245-N249 PolarHBondContact O-N 2.74Å; L246-N249 WeakPolarHBondContact O-CB 3.22Å; L246-N249 PolarHBondContact O-N 3.43Å; T247-N249 PolarHBondContact O-N 2.92Å; N249-E251 VanDerWaalsContact C-N 3.32Å; N249-E251 PolarHBondContact O-N 2.87Å; N249-D252 PolarHBondContact O-N 2.8Å; N249-E253 WeakPolarHBondContact O-CB 3.16Å; N249-E253 WeakPolarHBondContact O-CG 3.23Å; N249-E253 PolarHBondContact O-N 3.07Å
250T83.3Confident84.1Confident57 Ų5781.8 Ų81.835%0.3540%0.404SS..Hα-helixtrans-73.9-20.4-175.863.70000114.1L246 T247 M248 K254L246-T250 WeakPolarHBondContact O-CG2 3.32Å; L246-T250 PolarHBondContact O-N 3.21Å; L246-T250 PolarHBondContact O-OG1 3.13Å; T247-T250 CarbonylContact O-C 3.57Å; T247-T250 PolarHBondContact O-N 3.47Å; T247-T250 PolarHBondContact O-OG1 3.05Å; M248-T250 PolarHBondContact O-N 2.97Å; T250-K254 WeakPolarHBondContact O-CB 3.49Å; T250-K254 VanDerWaalsContact O-CD 3.25Å; T250-K254 WeakPolarHBondContact O-CD 3.2Å; T250-K254 WeakPolarHBondContact O-CG 3.3Å; T250-K254 PolarHBondContact O-N 3.02Å
251E82.1Confident84.2Confident91 Ų9184.1 Ų84.143%0.42542%0.424SS..Hα-helixtrans-77.9-43.3171.4-76177.6-136.200110.7T247 M248 N249 K254 R255T247-E251 WeakPolarHBondContact O-CB 3.3Å; T247-E251 WeakPolarHBondContact O-CG 3.32Å; T247-E251 PolarHBondContact O-N 3.34Å; M248-E251 PolarHBondContact O-N 3.41Å; N249-E251 VanDerWaalsContact C-N 3.32Å; N249-E251 PolarHBondContact O-N 2.87Å; E251-K254 PolarHBondContact O-N 3.07Å; E251-R255 VanDerWaalsContact O-CG 3.29Å; E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.39Å; E251-R255 IonicContact OE2-NH2 2.65Å
252D80.1Confident84.4Confident45 Ų4585.4 Ų85.424%0.24144%0.435CS..Hα-helixtrans-60.2-48.4172.7-65.6-29000110.6R7 M248 N249 K254 R255 D256R7-D252 IonicContact NH1-OD2 3.23Å; M248-D252 WeakPolarHBondContact O-CB 3.39Å; M248-D252 PolarHBondContact O-N 3.01Å; N249-D252 PolarHBondContact O-N 2.8Å; D252-K254 VanDerWaalsContact C-N 3.31Å; D252-K254 PolarHBondContact O-N 3.11Å; D252-R255 PolarHBondContact O-N 3.18Å; D252-R255 VanDerWaalsContact O-N 3.13Å; D252-D256 PolarHBondContact O-N 3.06Å
253E83.1Confident84.5Confident83 Ų8389.2 Ų89.239%0.38844%0.443SS..Hα-helixtrans-58.1-39.2176.6-76.1176.8168.400112.7Q4 N249 Q257Q4-E253 PolarHBondContact NE2-OE1 2.84Å; N249-E253 WeakPolarHBondContact O-CB 3.16Å; N249-E253 WeakPolarHBondContact O-CG 3.23Å; N249-E253 PolarHBondContact O-N 3.07Å; E253-Q257 WeakPolarHBondContact O-CB 3.32Å; E253-Q257 WeakPolarHBondContact O-CG 3.12Å; E253-Q257 PolarHBondContact O-N 3.3Å
254K86.2Confident84.9Confident123 Ų12387.9 Ų87.954%0.53544%0.441SS..Hα-helixtrans-71.5-36.2175.9-75.4167.9-170166.40112.6T250 E251 D252 Q257 L258T250-K254 WeakPolarHBondContact O-CB 3.49Å; T250-K254 VanDerWaalsContact O-CD 3.25Å; T250-K254 WeakPolarHBondContact O-CD 3.2Å; T250-K254 WeakPolarHBondContact O-CG 3.3Å; T250-K254 PolarHBondContact O-N 3.02Å; E251-K254 PolarHBondContact O-N 3.07Å; D252-K254 VanDerWaalsContact C-N 3.31Å; D252-K254 PolarHBondContact O-N 3.11Å; K254-Q257 PolarHBondContact O-N 2.86Å; K254-L258 WeakPolarHBondContact O-CB 3.29Å; K254-L258 VanDerWaalsContact O-CG 3.27Å; K254-L258 WeakPolarHBondContact O-CG 3.28Å; K254-L258 PolarHBondContact O-N 2.92Å
255R84.8Confident85.1Confident131 Ų13185.1 Ų85.149%0.49444%0.435SS..Hα-helixtrans-67.2-48.3175.5-72.1172-166.3-176.410110.7E251 D252 Q257 L258 E259E251-R255 VanDerWaalsContact O-CG 3.29Å; E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.39Å; E251-R255 IonicContact OE2-NH2 2.65Å; D252-R255 PolarHBondContact O-N 3.18Å; D252-R255 VanDerWaalsContact O-N 3.13Å; R255-Q257 PolarHBondContact O-N 3.17Å; R255-L258 PolarHBondContact O-N 3.05Å; R255-L258 VanDerWaalsContact O-N 3.1Å; R255-E259 WeakPolarHBondContact O-CB 3.18Å; R255-E259 WeakPolarHBondContact O-CG 3.33Å; R255-E259 PolarHBondContact O-N 3.5Å
256D85.1Confident85.2Confident50 Ų5084.1 Ų84.127%0.26743%0.432SS..Hα-helixtrans-58.3-36.9175.4-75.223000111.3R3 D252 A260R3-D256 WeakPolarHBondContact CD-OD1 3.49Å; R3-D256 IonicContact CZ-OD1 2.98Å; R3-D256 IonicContact NE-OD1 3.69Å; R3-D256 IonicContact NH1-OD1 3.99Å; R3-D256 PolarHBondContact NH1-OD1 2.96Å; D252-D256 PolarHBondContact O-N 3.06Å; D256-A260 VanDerWaalsContact O-CB 3.26Å; D256-A260 WeakPolarHBondContact O-CB 3.35Å; D256-A260 PolarHBondContact O-N 2.71Å
257Q86.4Confident85.3Confident131 Ų13185.8 Ų85.861%0.61244%0.44SS*.Hα-helixtrans-68.3-41.8173.1-76.5170.314.700113.6E253 K254 R255 A261E253-Q257 WeakPolarHBondContact O-CB 3.32Å; E253-Q257 WeakPolarHBondContact O-CG 3.12Å; E253-Q257 PolarHBondContact O-N 3.3Å; K254-Q257 PolarHBondContact O-N 2.86Å; R255-Q257 PolarHBondContact O-N 3.17Å; Q257-A261 WeakPolarHBondContact O-CB 3.33Å; Q257-A261 PolarHBondContact O-N 3.46Å
258L90.4Very high85.3Confident120 Ų12090.2 Ų90.263%0.62845%0.454SS*.Hα-helixtrans-68.7-43.6177.7-74.6166.4000111.6K254 R255 A260 A261 V262K254-L258 WeakPolarHBondContact O-CB 3.29Å; K254-L258 VanDerWaalsContact O-CG 3.27Å; K254-L258 WeakPolarHBondContact O-CG 3.28Å; K254-L258 PolarHBondContact O-N 2.92Å; R255-L258 PolarHBondContact O-N 3.05Å; R255-L258 VanDerWaalsContact O-N 3.1Å; L258-A260 PolarHBondContact O-N 2.94Å; L258-A261 PolarHBondContact O-N 2.88Å; L258-V262 WeakPolarHBondContact O-CG2 3.26Å; L258-V262 PolarHBondContact O-N 2.94Å
259E88.2Confident85.6Confident76 Ų7693.9 Ų93.936%0.35546%0.464SS..Hα-helixtrans-56.8-49.2172.9-72.3171.2-140.700110.2R3 R255 A261 V262 Y263R3-E259 IonicContact CZ-OE1 2.76Å; R3-E259 IonicContact CZ-OE2 3.83Å; R3-E259 IonicContact NH1-OE1 3.55Å; R3-E259 PolarHBondContact NH1-OE1 3.48Å; R3-E259 IonicContact NH1-OE2 2.65Å; R3-E259 PolarHBondContact NH1-OE2 3.47Å; R3-E259 VanDerWaalsContact NH2-CD 3.34Å; R3-E259 IonicContact NH2-OE1 2.84Å; R3-E259 PolarHBondContact NH2-OE1 3.27Å; R3-E259 IonicContact NH2-OE2 2.73Å; R3-E259 PolarHBondContact NH2-OE2 3.36Å; R255-E259 WeakPolarHBondContact O-CB 3.18Å; R255-E259 WeakPolarHBondContact O-CG 3.33Å; R255-E259 PolarHBondContact O-N 3.5Å; E259-A261 VanDerWaalsContact C-N 3.34Å; E259-A261 PolarHBondContact O-N 3.08Å; E259-V262 PolarHBondContact O-N 3.49Å; E259-Y263 WeakPolarHBondContact O-CD2 3.33Å; E259-Y263 PolarHBondContact O-N 3.12Å; E259-Y263 VanDerWaalsContact O-N 3.07Å
260A86.7Confident85.7Confident58 Ų5896.7 Ų96.748%0.47948%0.478SS..Hα-helixtrans-62.4-36.1176.700000113.7D256 L258 A264D256-A260 VanDerWaalsContact O-CB 3.26Å; D256-A260 WeakPolarHBondContact O-CB 3.35Å; D256-A260 PolarHBondContact O-N 2.71Å; L258-A260 PolarHBondContact O-N 2.94Å; A260-A264 VanDerWaalsContact O-CB 3.3Å; A260-A264 WeakPolarHBondContact O-CB 3.47Å; A260-A264 PolarHBondContact O-N 3.41Å
261A90.3Very high85.5Confident60 Ų60101 Ų10150%0.49649%0.488SS..Hα-helixtrans-67.8-40.217700000112.4Q257 L258 E259 A264 E265Q257-A261 WeakPolarHBondContact O-CB 3.33Å; Q257-A261 PolarHBondContact O-N 3.46Å; L258-A261 PolarHBondContact O-N 2.88Å; E259-A261 VanDerWaalsContact C-N 3.34Å; E259-A261 PolarHBondContact O-N 3.08Å; A261-A264 PolarHBondContact O-N 2.95Å; A261-E265 PolarHBondContact O-N 3.24Å; A261-E265 VanDerWaalsContact O-N 3.09Å
262V90.7Very high85.2Confident82 Ų8298.1 Ų98.150%0.49748%0.482SS..Hα-helixtrans-63.9-50.4175.3172.10000110.5L258 E259 A264 E265 E266L258-V262 WeakPolarHBondContact O-CG2 3.26Å; L258-V262 PolarHBondContact O-N 2.94Å; E259-V262 PolarHBondContact O-N 3.49Å; V262-A264 PolarHBondContact O-N 2.65Å; V262-E265 PolarHBondContact O-N 3.04Å; V262-E266 HydrophobicContact CG1-CG 4.46Å; V262-E266 PolarHBondContact O-N 3.42Å
263Y88.4Confident84.9Confident147 Ų147100.9 Ų100.958%0.57650%0.497SS*.Hα-helixtrans-58.7-35.1176-71.8-55.3000112.7E259 E265 E266 L267E259-Y263 WeakPolarHBondContact O-CD2 3.33Å; E259-Y263 PolarHBondContact O-N 3.12Å; E259-Y263 VanDerWaalsContact O-N 3.07Å; Y263-E265 VanDerWaalsContact C-N 3.34Å; Y263-E266 PolarHBondContact O-N 2.72Å; Y263-L267 WeakPolarHBondContact O-CB 3.37Å; Y263-L267 VanDerWaalsContact O-CG 3.32Å; Y263-L267 WeakPolarHBondContact O-CG 3.25Å; Y263-L267 PolarHBondContact O-N 3.33Å
264A88Confident84.3Confident36 Ų36101 Ų10130%0.29850%0.504SS..Hα-helixtrans-71.4-23.2175.300000113.8A260 A261 V262 K268A260-A264 VanDerWaalsContact O-CB 3.3Å; A260-A264 WeakPolarHBondContact O-CB 3.47Å; A260-A264 PolarHBondContact O-N 3.41Å; A261-A264 PolarHBondContact O-N 2.95Å; V262-A264 PolarHBondContact O-N 2.65Å; A264-K268 WeakPolarHBondContact O-CD 3.48Å; A264-K268 VanDerWaalsContact O-CG 3.27Å; A264-K268 WeakPolarHBondContact O-CG 3.44Å
265E88.2Confident83.2Confident99 Ų99100 Ų10046%0.46350%0.503SS..Hα-helixtrans-81-43.1170-161.7-172.4142.600111.5A261 V262 Y263 L267 K268 R269A261-E265 PolarHBondContact O-N 3.24Å; A261-E265 VanDerWaalsContact O-N 3.09Å; V262-E265 PolarHBondContact O-N 3.04Å; Y263-E265 VanDerWaalsContact C-N 3.34Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3Å; E265-K268 WeakPolarHBondContact O-CA 3.34Å; E265-K268 WeakPolarHBondContact O-CB 3.38Å; E265-K268 PolarHBondContact O-N 2.84Å; E265-R269 PolarHBondContact O-N 2.68Å; E265-R269 IonicContact OE1-CZ 2.59Å; E265-R269 IonicContact OE1-NE 2.66Å; E265-R269 PolarHBondContact OE1-NE 3.08Å; E265-R269 IonicContact OE1-NH2 3.22Å; E265-R269 PolarHBondContact OE1-NH2 3.09Å
266E85.9Confident82.3Confident97 Ų9797.7 Ų97.745%0.45351%0.506SS..Hα-helixtrans-58.4-45176-69.8-177.3157.100111.7V262 Y263 K268 R269 L270V262-E266 HydrophobicContact CG1-CG 4.46Å; V262-E266 PolarHBondContact O-N 3.42Å; Y263-E266 PolarHBondContact O-N 2.72Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 3.14Å; E266-R269 PolarHBondContact O-N 3.33Å; E266-R269 VanDerWaalsContact O-N 3.16Å; E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.77Å
267L83.8Confident81.1Confident121 Ų12197.7 Ų97.763%0.63451%0.512SS*.Hα-helixtrans-61.1-31.9173.9-75.3170.3000113.1Y263 E265 R271Y263-L267 WeakPolarHBondContact O-CB 3.37Å; Y263-L267 VanDerWaalsContact O-CG 3.32Å; Y263-L267 WeakPolarHBondContact O-CG 3.25Å; Y263-L267 PolarHBondContact O-N 3.33Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3Å; L267-R271 WeakPolarHBondContact O-CB 3.34Å; L267-R271 PolarHBondContact O-N 2.96Å
268K82.2Confident79.8Confident156 Ų15696.4 Ų96.468%0.67851%0.51SS*.Hα-helixtrans-72-40.3174-74.4168.7-174.21720111.8A264 E265 E266 G272A264-K268 WeakPolarHBondContact O-CD 3.48Å; A264-K268 VanDerWaalsContact O-CG 3.27Å; A264-K268 WeakPolarHBondContact O-CG 3.44Å; E265-K268 WeakPolarHBondContact O-CA 3.34Å; E265-K268 WeakPolarHBondContact O-CB 3.38Å; E265-K268 PolarHBondContact O-N 2.84Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 3.14Å; K268-G272 PolarHBondContact O-N 3.33Å
269R84.6Confident78.3Confident161 Ų16197.8 Ų97.861%0.60851%0.511SS*.Hα-helixtrans-63.5-53.3175.6-67.5179.8-177.3-156.43.7110.7E265 E266 R271 G272 D273E265-R269 PolarHBondContact O-N 2.68Å; E265-R269 IonicContact OE1-CZ 2.59Å; E265-R269 IonicContact OE1-NE 2.66Å; E265-R269 PolarHBondContact OE1-NE 3.08Å; E265-R269 IonicContact OE1-NH2 3.22Å; E265-R269 PolarHBondContact OE1-NH2 3.09Å; E266-R269 PolarHBondContact O-N 3.33Å; E266-R269 VanDerWaalsContact O-N 3.16Å; R269-R271 VanDerWaalsContact C-N 3.31Å; R269-R271 PolarHBondContact O-N 2.97Å; R269-G272 CarbonylContact O-C 3.57Å; R269-G272 WeakPolarHBondContact O-CA 3.39Å; R269-G272 PolarHBondContact O-N 3.4Å; R269-D273 PolarHBondContact O-N 3.07Å
270L82Confident76.9Confident106 Ų106100.7 Ų100.756%0.55552%0.524SS*.Hα-helixtrans-56.5-41.7176.5-69.3168.4000112.5E266 G272 D273 V274E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.77Å; L270-G272 VanDerWaalsContact C-N 3.34Å; L270-D273 PolarHBondContact O-N 2.72Å; L270-V274 WeakPolarHBondContact O-CG2 3.45Å; L270-V274 PolarHBondContact O-N 3.49Å
271R77.7Confident75.4Confident148 Ų148102.8 Ų102.856%0.55853%0.527SS*.Hα-helixtrans-65.4-36.9174.5-169.9173.7-171.5169.34.7112.1L267 R269 I275L267-R271 WeakPolarHBondContact O-CB 3.34Å; L267-R271 PolarHBondContact O-N 2.96Å; R269-R271 VanDerWaalsContact C-N 3.31Å; R269-R271 PolarHBondContact O-N 2.97Å; R271-I275 HydrophobicContact CG-CD1 4.13Å; R271-I275 WeakPolarHBondContact O-CB 3.17Å; R271-I275 WeakPolarHBondContact O-CD1 3.21Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 3.08Å; R271-I275 VanDerWaalsContact O-N 3.08Å
272G76.2Confident73.8Confident30 Ų30101.8 Ų101.831%0.30952%0.523SS..Hα-helixtrans-62.1-48172.500000112.4K268 R269 L270 V274 I275 C276K268-G272 PolarHBondContact O-N 3.33Å; R269-G272 CarbonylContact O-C 3.57Å; R269-G272 WeakPolarHBondContact O-CA 3.39Å; R269-G272 PolarHBondContact O-N 3.4Å; L270-G272 VanDerWaalsContact C-N 3.34Å; G272-V274 PolarHBondContact O-N 2.99Å; G272-I275 PolarHBondContact O-N 3.25Å; G272-C276 PolarHBondContact O-N 2.98Å; G272-C276 PolarHBondContact O-SG 2.68Å
273D74.4Confident72.4Confident104 Ų104102.5 Ų102.556%0.55652%0.523SS*.Hα-helixtrans-64.7-40.9-179.7-65.1-34.3000112R269 L270 I275 C276 A277R269-D273 PolarHBondContact O-N 3.07Å; L270-D273 PolarHBondContact O-N 2.72Å; D273-I275 PolarHBondContact O-N 3.01Å; D273-C276 PolarHBondContact O-N 3.38Å; D273-A277 WeakPolarHBondContact O-CB 3.34Å; D273-A277 PolarHBondContact O-N 3.45Å
274V69.3Low70.9Confident86 Ų86101.2 Ų101.252%0.52152%0.522SS..Hα-helixtrans-63.8-38.1173.2171.10000111.9L270 G272 A277 N278L270-V274 WeakPolarHBondContact O-CG2 3.45Å; L270-V274 PolarHBondContact O-N 3.49Å; G272-V274 PolarHBondContact O-N 2.99Å; V274-A277 PolarHBondContact O-N 3.01Å; V274-N278 WeakPolarHBondContact O-CB 3.46Å; V274-N278 PolarHBondContact O-N 3.18Å
275I64.9Low69.3Low102 Ų102103.7 Ų103.752%0.52353%0.526SS..Hα-helixtrans-66.4-40.5174.2-71.3165.1000110.9R271 G272 D273 K279R271-I275 HydrophobicContact CG-CD1 4.13Å; R271-I275 WeakPolarHBondContact O-CB 3.17Å; R271-I275 WeakPolarHBondContact O-CD1 3.21Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 3.08Å; R271-I275 VanDerWaalsContact O-N 3.08Å; G272-I275 PolarHBondContact O-N 3.25Å; D273-I275 PolarHBondContact O-N 3.01Å; I275-K279 VanDerWaalsContact O-CB 3.3Å; I275-K279 WeakPolarHBondContact O-CB 3.3Å; I275-K279 PolarHBondContact O-N 3.14Å
276C64.4Low67.8Low82 Ų82101.5 Ų101.555%0.55452%0.521SS*.Hα-helixtrans-64.7-44.3175.1-74.30000112.2G272 D273 K279 H280G272-C276 PolarHBondContact O-N 2.98Å; G272-C276 PolarHBondContact O-SG 2.68Å; D273-C276 PolarHBondContact O-N 3.38Å; C276-K279 PolarHBondContact O-N 3.29Å; C276-H280 PolarHBondContact O-N 3.22Å
277A61.1Low66.6Low49 Ų49103.5 Ų103.541%0.40553%0.529SS..Hα-helixtrans-62.6-46.9175.700000111.7D273 V274 K279 H280 N281D273-A277 WeakPolarHBondContact O-CB 3.34Å; D273-A277 PolarHBondContact O-N 3.45Å; V274-A277 PolarHBondContact O-N 3.01Å; A277-K279 VanDerWaalsContact C-N 3.3Å; A277-K279 PolarHBondContact O-N 3.36Å; A277-H280 PolarHBondContact O-N 2.78Å; A277-H280 VanDerWaalsContact O-N 3.16Å; A277-N281 WeakPolarHBondContact O-CB 3.45Å; A277-N281 PolarHBondContact O-N 2.72Å
278N58.3Low65.4Low105 Ų105101.4 Ų101.456%0.56152%0.518SS*.Hα-helixtrans-64.4-32.8175.4-80.4-19000112.6V274 G282V274-N278 WeakPolarHBondContact O-CB 3.46Å; V274-N278 PolarHBondContact O-N 3.18Å; N278-G282 PolarHBondContact O-N 2.76Å
279K58.9Low64.1Low148 Ų14896 Ų9664%0.64350%0.496SS*.Hα-helixtrans-68.3-39.5172.4-171.5173.9-178178.30111.9I275 C276 A277 G282 I283I275-K279 VanDerWaalsContact O-CB 3.3Å; I275-K279 WeakPolarHBondContact O-CB 3.3Å; I275-K279 PolarHBondContact O-N 3.14Å; C276-K279 PolarHBondContact O-N 3.29Å; A277-K279 VanDerWaalsContact C-N 3.3Å; A277-K279 PolarHBondContact O-N 3.36Å; K279-G282 PolarHBondContact O-N 3.02Å; K279-I283 HydrophobicContact CG-CD1 4.25Å; K279-I283 VanDerWaalsContact O-CG1 3.26Å; K279-I283 WeakPolarHBondContact O-CG1 3.48Å; K279-I283 PolarHBondContact O-N 3.2Å
280H58.8Low62.8Low137 Ų13796.6 Ų96.663%0.63450%0.502SS*.Hα-helixtrans-67.5-43.4176.6-153.3-71.2000111.7C276 A277 I283 H284C276-H280 PolarHBondContact O-N 3.22Å; A277-H280 PolarHBondContact O-N 2.78Å; A277-H280 VanDerWaalsContact O-N 3.16Å; H280-I283 PolarHBondContact O-N 3.14Å; H280-H284 PolarHBondContact O-N 3.46Å
281N55.8Low61.7Low102 Ų10298.3 Ų98.355%0.54551%0.508SS..Hα-helixtrans-64.8-38173.1-71.6-13.7000111.9A277 H284 K285A277-N281 WeakPolarHBondContact O-CB 3.45Å; A277-N281 PolarHBondContact O-N 2.72Å; N281-H284 PolarHBondContact O-N 3.45Å; N281-K285 WeakPolarHBondContact O-CB 3.38Å; N281-K285 PolarHBondContact O-N 2.94Å
282G57.2Low60.4Low40 Ų4093.9 Ų93.941%0.41250%0.495SS..Hα-helixtrans-65.8-40.2174.900000112.9N278 K279 K285 S286N278-G282 PolarHBondContact O-N 2.76Å; K279-G282 PolarHBondContact O-N 3.02Å; G282-K285 PolarHBondContact O-N 2.6Å; G282-S286 WeakPolarHBondContact O-CB 3.31Å; G282-S286 PolarHBondContact O-N 3Å; G282-S286 PolarHBondContact O-OG 3.22Å
283I59.8Low59.2Low96 Ų9696.1 Ų96.149%0.49250%0.504SS..Hα-helixtrans-61.9-48.3171.8-70.4162.8000109.9K279 H280 K285 S286 F287K279-I283 HydrophobicContact CG-CD1 4.25Å; K279-I283 VanDerWaalsContact O-CG1 3.26Å; K279-I283 WeakPolarHBondContact O-CG1 3.48Å; K279-I283 PolarHBondContact O-N 3.2Å; H280-I283 PolarHBondContact O-N 3.14Å; I283-K285 PolarHBondContact O-N 3.09Å; I283-S286 PolarHBondContact O-N 3.47Å; I283-S286 PolarHBondContact O-OG 3.06Å; I283-F287 PolarHBondContact O-N 2.92Å
284H57.6Low58.2Low120 Ų120100.7 Ų100.756%0.55651%0.513SS*.Hα-helixtrans-59.5-45.7177.3-167-100.3000112.2H280 N281 S286 F287 I288H280-H284 PolarHBondContact O-N 3.46Å; N281-H284 PolarHBondContact O-N 3.45Å; H284-S286 PolarHBondContact O-N 2.81Å; H284-F287 WeakPolarHBondContact O-CB 3.32Å; H284-F287 PolarHBondContact O-N 2.61Å; H284-F287 VanDerWaalsContact O-N 3.12Å; H284-I288 PolarHBondContact O-N 3.05Å
285K55.1Low57.6Low89 Ų89104.5 Ų104.539%0.38753%0.525SS..Hα-helixtrans-64.5-38.3176.5-160.4-179.7-177.7-169.40111.9N281 G282 I283 F287 I288 M289 E300N281-K285 WeakPolarHBondContact O-CB 3.38Å; N281-K285 PolarHBondContact O-N 2.94Å; G282-K285 PolarHBondContact O-N 2.6Å; I283-K285 PolarHBondContact O-N 3.09Å; K285-F287 PolarHBondContact O-N 2.91Å; K285-I288 PolarHBondContact O-N 2.8Å; K285-M289 WeakPolarHBondContact O-CB 3.45Å; K285-M289 PolarHBondContact O-N 3.38Å; K285-E300 WeakPolarHBondContact CE-OE1 3.28Å; K285-E300 WeakPolarHBondContact CE-OE2 3.45Å; K285-E300 IonicContact NZ-OE1 2.95Å; K285-E300 PolarHBondContact NZ-OE1 2.78Å; K285-E300 IonicContact NZ-OE2 2.63Å
286S56Low57Low52 Ų52104.7 Ų104.736%0.36452%0.524SS..Hα-helixtrans-66.5-24.717479.70000113.6G282 I283 H284 K290G282-S286 WeakPolarHBondContact O-CB 3.31Å; G282-S286 PolarHBondContact O-N 3Å; G282-S286 PolarHBondContact O-OG 3.22Å; I283-S286 PolarHBondContact O-N 3.47Å; I283-S286 PolarHBondContact O-OG 3.06Å; H284-S286 PolarHBondContact O-N 2.81Å; S286-K290 WeakPolarHBondContact O-CG 3.22Å; S286-K290 PolarHBondContact O-N 3.06Å
287F60.9Low56.4Low139 Ų139103.6 Ų103.661%0.6151%0.511SS*.Hα-helixtrans-78-39.1174.8-144.4-86.3000111.2I283 H284 K285 K290I283-F287 PolarHBondContact O-N 2.92Å; H284-F287 WeakPolarHBondContact O-CB 3.32Å; H284-F287 PolarHBondContact O-N 2.61Å; H284-F287 VanDerWaalsContact O-N 3.12Å; K285-F287 PolarHBondContact O-N 2.91Å; F287-K290 PolarHBondContact O-N 2.83Å
288I58.6Low56.1Low78 Ų78107.9 Ų107.940%0.452%0.522SS..Hα-helixtrans-70.2-42.5174-68.6174.6000111.6H284 K285 K290 Q291 L292H284-I288 PolarHBondContact O-N 3.05Å; K285-I288 PolarHBondContact O-N 2.8Å; I288-K290 PolarHBondContact O-N 3.4Å; I288-Q291 WeakPolarHBondContact O-CA 3.4Å; I288-Q291 WeakPolarHBondContact O-CB 3.42Å; I288-Q291 PolarHBondContact O-N 3.48Å; I288-L292 HydrophobicContact CG2-CD1 4.15Å; I288-L292 PolarHBondContact O-N 2.94Å
289M54.7Low56Low43 Ų43110.1 Ų110.121%0.21253%0.529CS..Hα-helixtrans-54.9-37.7174.3-89174160.600112K285 Q291 L292 Q297 E300K285-M289 WeakPolarHBondContact O-CB 3.45Å; K285-M289 PolarHBondContact O-N 3.38Å; M289-Q291 PolarHBondContact O-N 2.9Å; M289-Q291 VanDerWaalsContact O-N 3.17Å; M289-L292 PolarHBondContact O-N 3.44Å; M289-Q297 PolarHBondContact O-NE2 2.89Å; M289-E300 HydrophobicContact CE-CB 3.76Å; M289-E300 HydrophobicContact CE-CG 4.3Å; M289-E300 VanDerWaalsContact CE-OE2 3.24Å; M289-E300 WeakPolarHBondContact CE-OE2 3.37Å
290K57Low55.8Low172 Ų172105.8 Ų105.875%0.74851%0.511SS*.THydrogen-bonded Turntrans-70.1-3.4175.5-75.3176.4178.6179.30114.7S286 F287 I288S286-K290 WeakPolarHBondContact O-CG 3.22Å; S286-K290 PolarHBondContact O-N 3.06Å; F287-K290 PolarHBondContact O-N 2.83Å; I288-K290 PolarHBondContact O-N 3.4Å
291Q58.9Low55.6Low143 Ų143105.7 Ų105.767%0.66851%0.511SS*.THydrogen-bonded Turntrans-110.3-5.2174.3-63.3179.1-26.500112.8I288 M289I288-Q291 WeakPolarHBondContact O-CA 3.4Å; I288-Q291 WeakPolarHBondContact O-CB 3.42Å; I288-Q291 PolarHBondContact O-N 3.48Å; M289-Q291 PolarHBondContact O-N 2.9Å; M289-Q291 VanDerWaalsContact O-N 3.17Å
292L49.8Very low55.5Low54 Ų54106.4 Ų106.428%0.28351%0.511SS..SBendtrans-80.1150.4174.1-100.963.4000112.1I288 M289 Q296 Q297I288-L292 HydrophobicContact CG2-CD1 4.15Å; I288-L292 PolarHBondContact O-N 2.94Å; M289-L292 PolarHBondContact O-N 3.44Å; L292-Q296 HydrophobicContact CD2-CB 3.89Å; L292-Q296 HydrophobicContact CG-CB 4.4Å; L292-Q297 HydrophobicContact CB-CG 4.38Å; L292-Q297 PolarHBondContact O-NE2 2.8Å
293P51.7Low55.3Low77 Ų77111.4 Ų111.450%0.552%0.519SS..  trans-58.5146.2164.4-19.932.6000111.4E295 Q296P293-E295 PolarHBondContact O-N 3.31Å; P293-Q296 PolarHBondContact O-N 3.4Å
294R54.6Low54.8Low201 Ų201110 Ų11076%0.75851%0.512SS*.Hα-helixtrans-56.8-37.2-175.8-62.3-163.1-162-171.17.9113.8Q296 Q297 E298R294-Q296 PolarHBondContact O-N 2.95Å; R294-Q296 VanDerWaalsContact O-N 3.09Å; R294-Q297 WeakPolarHBondContact O-CB 3.31Å; R294-Q297 PolarHBondContact O-N 2.95Å; R294-E298 PolarHBondContact O-N 3.06Å
295E55.7Low54.5Low166 Ų166107 Ų10778%0.77651%0.505SS*.Hα-helixtrans-58-24.6179.6-62.4172.2159.700112.6P293P293-E295 PolarHBondContact O-N 3.31Å
296Q52.9Low54.2Low105 Ų105108.8 Ų108.849%0.49151%0.513SS..Hα-helixtrans-95.3-12.7175.7-62.5-176.6-30.900113.6L292 P293 R294L292-Q296 HydrophobicContact CD2-CB 3.89Å; L292-Q296 HydrophobicContact CG-CB 4.4Å; P293-Q296 PolarHBondContact O-N 3.4Å; R294-Q296 PolarHBondContact O-N 2.95Å; R294-Q296 VanDerWaalsContact O-N 3.09Å
297Q51.6Low53.8Low59 Ų59111.4 Ų111.428%0.27652%0.519SS..Hα-helixtrans-75.6-41.7176-65.8173.5-26.700110.6M289 L292 R294 E300 E301M289-Q297 PolarHBondContact O-NE2 2.89Å; L292-Q297 HydrophobicContact CB-CG 4.38Å; L292-Q297 PolarHBondContact O-NE2 2.8Å; R294-Q297 WeakPolarHBondContact O-CB 3.31Å; R294-Q297 PolarHBondContact O-N 2.95Å; Q297-E300 PolarHBondContact O-N 3.17Å; Q297-E301 PolarHBondContact O-N 2.75Å
298E54.3Low53Low139 Ų139110 Ų11065%0.6552%0.517SS*.Hα-helixtrans-68-37.4-175.9-64.8176.7-175.900112.1R294 E301 E302R294-E298 PolarHBondContact O-N 3.06Å; E298-E301 PolarHBondContact O-N 2.94Å; E298-E302 PolarHBondContact O-N 3.33Å
299E56.8Low52.3Low152 Ų152111.7 Ų111.771%0.7153%0.527SS*.Hα-helixtrans-66.3-41.1174.1-67.7-167137.500113.2Y303E299-Y303 PolarHBondContact O-N 3.26Å
300E54.1Low51.9Low57 Ų57116 Ų11627%0.26655%0.551SS.*Hα-helixtrans-67.5-39.2175.6-86.9-134.389.400111.8K285 M289 Q297 Y303 N304K285-E300 WeakPolarHBondContact CE-OE1 3.28Å; K285-E300 WeakPolarHBondContact CE-OE2 3.45Å; K285-E300 IonicContact NZ-OE1 2.95Å; K285-E300 PolarHBondContact NZ-OE1 2.78Å; K285-E300 IonicContact NZ-OE2 2.63Å; M289-E300 HydrophobicContact CE-CB 3.76Å; M289-E300 HydrophobicContact CE-CG 4.3Å; M289-E300 VanDerWaalsContact CE-OE2 3.24Å; M289-E300 WeakPolarHBondContact CE-OE2 3.37Å; Q297-E300 PolarHBondContact O-N 3.17Å; E300-Y303 PolarHBondContact O-N 3.31Å; E300-N304 WeakPolarHBondContact O-CB 3.21Å; E300-N304 PolarHBondContact O-N 3.28Å; E300-N304 PolarHBondContact O-ND2 3.17Å
301E54.3Low51.2Low136 Ų136114.1 Ų114.164%0.63655%0.545SS*.Hα-helixtrans-65.3-41.8179.9-74.5-168.917300112.1Q297 E298 Y303 N304 S305Q297-E301 PolarHBondContact O-N 2.75Å; E298-E301 PolarHBondContact O-N 2.94Å; E301-Y303 PolarHBondContact O-N 3.44Å; E301-N304 PolarHBondContact O-N 3.37Å; E301-S305 PolarHBondContact O-N 2.97Å; E301-S305 VanDerWaalsContact O-N 3.11Å
302E53.3Low50.4Low116 Ų116111.7 Ų111.754%0.54254%0.536SS..Hα-helixtrans-64.4-42176.2-157-167.1149.400111.7E298 S305 K306E298-E302 PolarHBondContact O-N 3.33Å; E302-S305 PolarHBondContact O-N 3.32Å; E302-S305 PolarHBondContact O-OG 2.96Å; E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 3.52Å; E302-K306 PolarHBondContact OE1-NZ 2.93Å
303Y53.4Low49.9Very low146 Ų146118.3 Ų118.357%0.57356%0.559SS**Hα-helixtrans-62.9-45.7178.5-174.6-91.7000112.5E299 E300 E301 S305 K306 Q307E299-Y303 PolarHBondContact O-N 3.26Å; E300-Y303 PolarHBondContact O-N 3.31Å; E301-Y303 PolarHBondContact O-N 3.44Å; Y303-S305 VanDerWaalsContact C-N 3.32Å; Y303-S305 PolarHBondContact O-N 2.85Å; Y303-K306 PolarHBondContact O-N 3.18Å; Y303-Q307 HydrophobicContact CD1-CG 4.36Å; Y303-Q307 HydrophobicContact CE1-CG 3.95Å; Y303-Q307 PolarHBondContact O-N 3.33Å; Y303-Q307 PolarHBondContact OH-NE2 3.41Å; Y303-Q307 VanDerWaalsContact OH-NE2 3.13Å
304N50.2Low49.6Very low66 Ų66117.8 Ų117.835%0.35356%0.557SS.*Hα-helixtrans-67.4-32-179.7-74.7-72.9000112.3E300 E301 K306 Q307 L308E300-N304 WeakPolarHBondContact O-CB 3.21Å; E300-N304 PolarHBondContact O-N 3.28Å; E300-N304 PolarHBondContact O-ND2 3.17Å; E301-N304 PolarHBondContact O-N 3.37Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 2.95Å; N304-Q307 PolarHBondContact O-N 3.29Å; N304-L308 PolarHBondContact O-N 3.24Å
305S50.4Low49Very low58 Ų58110.2 Ų110.241%0.40653%0.533SS..Hα-helixtrans-60.4-39.3176.279.10000113E301 E302 Y303E301-S305 PolarHBondContact O-N 2.97Å; E301-S305 VanDerWaalsContact O-N 3.11Å; E302-S305 PolarHBondContact O-N 3.32Å; E302-S305 PolarHBondContact O-OG 2.96Å; Y303-S305 VanDerWaalsContact C-N 3.32Å; Y303-S305 PolarHBondContact O-N 2.85Å
306K49.7Very low48Very low125 Ų125105.9 Ų105.954%0.54352%0.521SS..Hα-helixtrans-73.5-33.6-178.3-66.5170.4-174.41700112.3E302 Y303 N304E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 3.52Å; E302-K306 PolarHBondContact OE1-NZ 2.93Å; Y303-K306 PolarHBondContact O-N 3.18Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 2.95Å
307Q47.1Very low47.4Very low108 Ų108106.4 Ų106.451%0.50552%0.523SS..Hα-helixtrans-66-45.8173.9-72.2-85.33.100112Y303 N304 N309 N310Y303-Q307 HydrophobicContact CD1-CG 4.36Å; Y303-Q307 HydrophobicContact CE1-CG 3.95Å; Y303-Q307 PolarHBondContact O-N 3.33Å; Y303-Q307 PolarHBondContact OH-NE2 3.41Å; Y303-Q307 VanDerWaalsContact OH-NE2 3.13Å; N304-Q307 PolarHBondContact O-N 3.29Å; Q307-N309 PolarHBondContact O-N 3.43Å; Q307-N310 PolarHBondContact O-N 3.05Å
308L44.9Very low46.9Very low109 Ų109110.4 Ų110.457%0.57154%0.542SS*.Hα-helixtrans-65.9-38.1-169.4-164.169.8000113.4N304 N310 H311 N312N304-L308 PolarHBondContact O-N 3.24Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 3.46Å; L308-H311 PolarHBondContact O-N 3.22Å; L308-N312 PolarHBondContact O-N 3.46Å; L308-N312 PolarHBondContact O-ND2 3.47Å
309N44.3Very low46.2Very low113 Ų113107.8 Ų107.860%0.60453%0.532SS*.Hα-helixtrans-64.5-34.9-178.7-74.9-25.2000113.1Q307Q307-N309 PolarHBondContact O-N 3.43Å
310N44.5Very low45.7Very low133 Ų133104.8 Ų104.871%0.71152%0.52SS*.Hα-helixtrans-71.6-28.8177.5-75.1-20.6000112.9Q307 L308Q307-N310 PolarHBondContact O-N 3.05Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 3.46Å
311H43.4Very low45.2Very low133 Ų133106.9 Ų106.962%0.61653%0.533SS*.Hα-helixtrans-83.1-27.4-176.3-143.581.2000113.3L308 S314 T315L308-H311 PolarHBondContact O-N 3.22Å; H311-S314 PolarHBondContact O-OG 3.21Å; H311-T315 WeakPolarHBondContact O-CB 3.44Å; H311-T315 PolarHBondContact O-N 3.11Å; H311-T315 PolarHBondContact O-OG1 3.47Å
312N41.9Very low44.5Very low93 Ų93109 Ų10950%0.49754%0.537SS..Hα-helixtrans-71.8-35177.6-73.8-29.2000112.5L308 C316L308-N312 PolarHBondContact O-N 3.46Å; L308-N312 PolarHBondContact O-ND2 3.47Å; N312-C316 WeakPolarHBondContact O-CB 3.49Å; N312-C316 PolarHBondContact O-N 3.4Å
313Y40.2Very low44Very low193 Ų193108.6 Ų108.676%0.75754%0.538SS*.Hα-helixtrans-64.4-47.9-179.6-112.3-85.8000112.9C316 Q317Y313-C316 PolarHBondContact O-N 3.36Å; Y313-Q317 PolarHBondContact O-N 2.96Å
314S44.2Very low43.3Very low66 Ų66107.6 Ų107.646%0.46254%0.542SS..Hα-helixtrans-66.4-38.6178.555.60000112.7H311H311-S314 PolarHBondContact O-OG 3.21Å
315T43.2Very low42.8Very low42 Ų42112.5 Ų112.526%0.25857%0.565SS.*Hα-helixtrans-71.5-30.9-179.9-51.70000112.5H311 N319H311-T315 WeakPolarHBondContact O-CB 3.44Å; H311-T315 PolarHBondContact O-N 3.11Å; H311-T315 PolarHBondContact O-OG1 3.47Å; T315-N319 PolarHBondContact O-ND2 3.48Å
316C33.6Very low42.3Very low75 Ų75115.3 Ų115.351%0.50758%0.575SS.*Hα-helixtrans-68.7-45.2177.2-1610000111.5N312 Y313 Q318 N319 I320N312-C316 WeakPolarHBondContact O-CB 3.49Å; N312-C316 PolarHBondContact O-N 3.4Å; Y313-C316 PolarHBondContact O-N 3.36Å; C316-Q318 PolarHBondContact O-N 3.2Å; C316-N319 PolarHBondContact O-N 2.86Å; C316-N319 VanDerWaalsContact O-N 3.17Å; C316-I320 PolarHBondContact O-N 2.95Å
317Q40.8Very low41.6Very low116 Ų116113.8 Ų113.854%0.54258%0.579SS.*Hα-helixtrans-57.7-49-177.1-154.970.824.900112.3Y313 N319 I320Y313-Q317 PolarHBondContact O-N 2.96Å; Q317-N319 PolarHBondContact O-N 3.35Å; Q317-I320 PolarHBondContact O-N 2.65Å; Q317-I320 VanDerWaalsContact O-N 3.11Å
318Q39.8Very low41.2Very low143 Ų143115.6 Ų115.667%0.66859%0.592SS**Hα-helixtrans-63.4-26.9-179.3-69.1-174.5-19.200113.9C316C316-Q318 PolarHBondContact O-N 3.2Å
319N40.7Very low40.8Very low83 Ų83118.8 Ų118.844%0.44460%0.604SS.*Hα-helixtrans-78.8-19.5178-77.9-29.8000112.9T315 C316 Q317 N323T315-N319 PolarHBondContact O-ND2 3.48Å; C316-N319 PolarHBondContact O-N 2.86Å; C316-N319 VanDerWaalsContact O-N 3.17Å; Q317-N319 PolarHBondContact O-N 3.35Å; N319-N323 PolarHBondContact O-ND2 2.85Å
320I47.1Very low40.3Very low89 Ų89120.7 Ų120.746%0.45661%0.609SS.*Hα-helixtrans-74.9-51.5177.5-66.3168.6000109.4C316 Q317 Y322 N323 L324C316-I320 PolarHBondContact O-N 2.95Å; Q317-I320 PolarHBondContact O-N 2.65Å; Q317-I320 VanDerWaalsContact O-N 3.11Å; I320-Y322 VanDerWaalsContact C-N 3.3Å; I320-Y322 PolarHBondContact O-N 3.26Å; I320-N323 PolarHBondContact O-N 3.1Å; I320-L324 PolarHBondContact O-N 3.2Å
321D41.6Very low39.7Very low102 Ų102123.2 Ų123.255%0.54562%0.619SS.*Hα-helixtrans-57.5-41.9179.6-61.7-34.5000112.1N323 L324 M325D321-N323 VanDerWaalsContact C-N 3.3Å; D321-N323 PolarHBondContact O-N 3.46Å; D321-L324 PolarHBondContact O-N 3.48Å; D321-M325 PolarHBondContact O-N 3.2Å
322Y41Very low39Very low181 Ų181125.5 Ų125.571%0.7163%0.632SS**Hα-helixtrans-66.2-28.5-178.2-131.1-81.2000114I320I320-Y322 VanDerWaalsContact C-N 3.3Å; I320-Y322 PolarHBondContact O-N 3.26Å
323N42Very low38.5Very low106 Ų106125.6 Ų125.657%0.56764%0.64SS**Hα-helixtrans-88.2-36.4177.9-76.6-67.4000112N319 I320 D321 M325 N326 C327N319-N323 PolarHBondContact O-ND2 2.85Å; I320-N323 PolarHBondContact O-N 3.1Å; D321-N323 VanDerWaalsContact C-N 3.3Å; D321-N323 PolarHBondContact O-N 3.46Å; N323-M325 VanDerWaalsContact C-N 3.29Å; N323-M325 PolarHBondContact O-N 2.83Å; N323-N326 PolarHBondContact O-N 3.19Å; N323-C327 PolarHBondContact O-N 2.91Å; N323-C327 PolarHBondContact O-SG 2.79Å
324L39Very low37.9Very low125 Ų125125.1 Ų125.165%0.65465%0.649SS**Hα-helixtrans-61.6-39.6177.5-143.276.2000111.7I320 D321 N326I320-L324 PolarHBondContact O-N 3.2Å; D321-L324 PolarHBondContact O-N 3.48Å; L324-N326 VanDerWaalsContact C-N 3.26Å; L324-N326 PolarHBondContact O-N 2.96Å
325M40Very low37.2Very low169 Ų169126.9 Ų126.983%0.83366%0.662SS**Hα-helixtrans-71.4-17.8-178.8-154.2167.2-168.200113.9D321 N323D321-M325 PolarHBondContact O-N 3.2Å; N323-M325 VanDerWaalsContact C-N 3.29Å; N323-M325 PolarHBondContact O-N 2.83Å
326N38.9Very low36.7Very low118 Ų118133 Ų13363%0.63169%0.693SS**Hα-helixtrans-99.6-19.9-176.2-148.315.3000113.4N323 L324 N328N323-N326 PolarHBondContact O-N 3.19Å; L324-N326 VanDerWaalsContact C-N 3.26Å; L324-N326 PolarHBondContact O-N 2.96Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N326-N328 PolarHBondContact O-N 3.37Å
327C35.2Very low36.8Very low93 Ų93134.4 Ų134.463%0.62870%0.703SS**Hα-helixtrans-68.1-30.8178.8-69.10000113.3N323 H329N323-C327 PolarHBondContact O-N 2.91Å; N323-C327 PolarHBondContact O-SG 2.79Å; C327-H329 PolarHBondContact O-N 2.62Å; C327-H329 VanDerWaalsContact O-N 3.15Å
328N39.1Very low36.3Very low146 Ų146136.1 Ų136.178%0.78172%0.717SS**THydrogen-bonded Turntrans-74.5-0.6-174.5-72.2-29.6000115.1N326N326-N328 VanDerWaalsContact C-N 3.34Å; N326-N328 PolarHBondContact O-N 3.37Å
329H36.3Very low35.8Very low175 Ų175135.4 Ų135.481%0.8173%0.726SS**THydrogen-bonded Turntrans-107.7-0.6-177.7-127.6-71.7000114.9C327C327-H329 PolarHBondContact O-N 2.62Å; C327-H329 VanDerWaalsContact O-N 3.15Å
330H34.4Very low35.2Very low154 Ų154139.9 Ų139.971%0.71375%0.749SS**  trans-102-0.6-171-133.9-67000115.5M332H330-M332 PolarHBondContact O-N 2.84Å
331M30.9Very low34.6Very low186 Ų186143 Ų14392%0.91676%0.764SS**THydrogen-bonded Turntrans-90.752.5-173.8-164.2-178.3170.100113.3
332M30.4Very low34.1Very low180 Ų180147.3 Ų147.389%0.88778%0.779SS**THydrogen-bonded Turntrans-150.827.6174.6-128.2179.7-155.400117.2H330H330-M332 PolarHBondContact O-N 2.84Å
333S29.5Very low33.7Very low96 Ų96144.9 Ų144.967%0.67179%0.785SS**  trans-149.445.417560.20000115.4
334L27.5Very low33.3Very low182 Ų182149 Ų14995%0.95380%0.801SS**  trans-122.874.4173.7-86.1167.8000112.3
335S31Very low33.1Very low104 Ų104148.3 Ų148.373%0.72780%0.804SS**  trans-155.281.2166.762.90000111.6
336N31.3Very low32.8Very low171 Ų171146 Ų14691%0.91480%0.804SS**  trans-169.7131.2135.6-97.5-12.6000111
337S36.7Very low32.7Very low103 Ų103145.8 Ų145.872%0.7281%0.812SS**  trans-89.7151.7-168.3-300000112.9
338N31.2Very low32.7Very low153 Ų153147 Ų14782%0.81882%0.818SS**  trans44.3105.9139.6-53.9-10.5000119.2
339C29.1Very low32.5Very low127 Ų127146.4 Ų146.486%0.85882%0.82SS**  -152.5120.8128.1-104.30000111.4
340L27Very low32.3Very low177 Ų177143.6 Ų143.693%0.92782%0.816SS**  trans-109.2128.7173-137.886.2000107.7
341I34.7Very low32.3Very low154 Ų154141.8 Ų141.879%0.7982%0.815SS**  trans-135.3131.9172.8-60.2-176.4000109.3
342K31.1Very low32.4Very low194 Ų194138.4 Ų138.484%0.84381%0.805SS**  trans-84.3152.3174.2-71.6179.8175.5179.30111.2
343P32.9Very low32.4Very low129 Ų129135.7 Ų135.784%0.83880%0.799SS**  trans-86.4146.5163.835-32.3000112.1
344E34.2Very low32.5Very low194 Ų194137.8 Ų137.891%0.90781%0.808SS**  trans-147.2142.7168.7-162.3160.5-121.200109.2
345P34.5Very low32.6Very low110 Ų110134.5 Ų134.571%0.71480%0.795SS**  trans-116.5164.6-161.141.1-33.1000117.2
346S34Very low32.8Very low121 Ų121135.8 Ų135.885%0.84680%0.799SS**  trans74152.3167.285.70000116.2
347S36.7Very low32.8Very low113 Ų113132.7 Ų132.779%0.7979%0.787SS**  cis-149.6169.9-2.652.70000110.6
348P35.5Very low32.6Very low117 Ų117136.5 Ų136.576%0.7680%0.795SS**  trans-114.6160.8-160.440.5-32.9000117.3
349T33.6Very low32.5Very low134 Ų134133.7 Ų133.782%0.82279%0.793SS**  trans-159.8140.6153.4-0.70000114.3
350T32.9Very low32.3Very low117 Ų117133 Ų13372%0.71879%0.79SS**  trans2.5149150.852.90000121.1
351T33.1Very low32.5Very low115 Ų115130.9 Ų130.971%0.70678%0.784SS**  cis-164.7148.528.1-15.40000115.5
352T33.3Very low32.2Very low115 Ų115130.3 Ų130.371%0.70679%0.788SS**  trans51.7120.1147.339.90000125.2
353T30.1Very low32.3Very low123 Ų123125.9 Ų125.976%0.75578%0.777SS**  trans59.5144.913951.90000120.4
354V33.1Very low32.1Very low141 Ų141127.8 Ų127.886%0.85578%0.78SS**  cis-130.6153.736.9173.20000113.8
355T29.8Very low31.9Very low112 Ų112125 Ų12569%0.68777%0.771SS**  trans-84144.1-173.9-34.70000114.5
356T33.3Very low31.7Very low132 Ų132126 Ų12681%0.8178%0.78SS**  trans-15796.6138.9-70.50000110.8
357T32.1Very low31.4Very low106 Ų106127.1 Ų127.165%0.6578%0.776SS**  trans27.9121.4153.252.80000123
358M31.7Very low31.1Very low183 Ų183129.8 Ų129.890%0.90178%0.78SS**  trans67.8140.3135.9-55.9-74.7-165.400120.1
359A29.8Very low30.9Very low94 Ų94130.6 Ų130.678%0.77778%0.777SS**  cis-163.2136-25.200000107.8
360S25.7Very low30.7Very low112 Ų112130.6 Ų130.678%0.78377%0.772SS**  trans-107133.3-173.356.80000113.7
361T30.3Very low30.7Very low133 Ų133130.2 Ų130.282%0.81677%0.771SS**  trans-139.179166.5380000112.5
362T28.8Very low30.6Very low142 Ų142132.8 Ų132.887%0.87178%0.775SS**  trans-73.4123.4156.246.50000109.2
363V32.1Very low30.6Very low101 Ų101133.5 Ų133.561%0.61278%0.779SS**  trans-122.4103.2178.6-179.10000110.4N365V363-N365 HydrophobicContact CG1-CB 4.2Å; V363-N365 VanDerWaalsContact CG1-CG 3.5Å; V363-N365 PolarHBondContact O-N 2.98Å
364N29.3Very low30.4Very low168 Ų168135.6 Ų135.690%0.89879%0.786SS**  trans-77.8109160.4-75.9-21.6000108.1
365N31.1Very low30.4Very low135 Ų135134.9 Ų134.972%0.72278%0.782SS**  trans-117.4102.9172.8-92.9-6.8000110.9V363 L367V363-N365 HydrophobicContact CG1-CB 4.2Å; V363-N365 VanDerWaalsContact CG1-CG 3.5Å; V363-N365 PolarHBondContact O-N 2.98Å; N365-L367 PolarHBondContact O-N 3.49Å
366C28.4Very low30.4Very low131 Ų131139 Ų13989%0.88579%0.786SS**  trans-68114.2159.4-65.40000108.3L368C366-L368 PolarHBondContact O-N 3.42Å
367L29.6Very low30.2Very low146 Ų146141.8 Ų141.876%0.76479%0.79SS**  trans-91.991.9-172.2-135.3167.2000111N365 I369N365-L367 PolarHBondContact O-N 3.49Å; L367-I369 HydrophobicContact CD2-CG1 4.28Å; L367-I369 PolarHBondContact O-N 3.39Å
368L28.3Very low30.4Very low169 Ų169144.1 Ų144.189%0.88580%0.796SS**  trans-63.6115.8163.8-90.5157.4000109.3C366C366-L368 PolarHBondContact O-N 3.42Å
369I32.9Very low30.5Very low134 Ų134141.7 Ų141.769%0.68779%0.787SS**  trans-91.3113.1177.6-61.7177.6000109.3L367L367-I369 HydrophobicContact CD2-CG1 4.28Å; L367-I369 PolarHBondContact O-N 3.39Å
370N28.8Very low30.8Very low134 Ų134141.7 Ų141.772%0.71778%0.781SS**  trans-92.2121.5171.5-175.8-3.3000109H372N370-H372 VanDerWaalsContact C-N 3.31Å; N370-H372 PolarHBondContact O-N 2.73Å
371P33.7Very low31.5Very low109 Ų109145.2 Ų145.271%0.70878%0.782SS**SBendtrans-82.458.3-164.934.4-38.9000114.7
372H30.1Very low32.1Very low169 Ų169145.2 Ų145.278%0.78277%0.773SS**  trans-146.574.7172-92.4-72.3000113.7N370N370-H372 VanDerWaalsContact C-N 3.31Å; N370-H372 PolarHBondContact O-N 2.73Å
373T33.6Very low32.8Very low130 Ų130143.7 Ų143.780%0.79876%0.756SS**  trans-172.3127.7149.414.80000110.7T375T373-T375 PolarHBondContact O-N 3.49Å
374N26.5Very low33.3Very low167 Ų167146.6 Ų146.689%0.89376%0.762SS**  trans-88.590.9176.3-83.5-28.1000111.2
375T31.5Very low33.8Very low125 Ų125143.1 Ų143.177%0.76774%0.744SS**  trans-165.7115.3160.13.40000111T373T373-T375 PolarHBondContact O-N 3.49Å
376Y29.9Very low34.6Very low200 Ų200141 Ų14178%0.78474%0.736SS**  trans-106.2111.2172.6-79.3-82.6000110.8
377H30.6Very low35.4Very low190 Ų190138.2 Ų138.288%0.8871%0.709SS**  trans-99.7123.2155.8-105.6-94.6000107.7
378I36Very low36Very low154 Ų154136.5 Ų136.579%0.7970%0.7SS**  trans-104.9125.1173.8-62.8179.4000108
379D33Very low36.8Very low133 Ų133135.1 Ų135.171%0.71169%0.686SS**  trans-81.3148.1-173.5-168.314.6000112.7K381D379-K381 PolarHBondContact O-N 3.47Å
380S36.8Very low37.5Very low94 Ų94133.3 Ų133.366%0.65768%0.678SS**THydrogen-bonded Turntrans-70.84.8-157.4-171.90000116
381K39.6Very low38.2Very low185 Ų185129.9 Ų129.980%0.80466%0.663SS**THydrogen-bonded Turntrans-98.5-14-167.6-75.5179.8176173.10116.2D379D379-K381 PolarHBondContact O-N 3.47Å
382H44Very low38.7Very low133 Ų133129.4 Ų129.462%0.61665%0.654SS**SBendtrans-98.5-5.4-177.7-100.3-62.5000116T386H382-T386 PolarHBondContact O-N 2.98Å; H382-T386 PolarHBondContact O-OG1 3.4Å
383E42.6Very low39.8Very low110 Ų110125.7 Ų125.751%0.51464%0.639SS.*Hα-helixtrans-66.5-45.7-173.1-165.2177.7160.700112.8L385 T386 K387E383-L385 PolarHBondContact O-N 3.18Å; E383-T386 PolarHBondContact O-N 3.29Å; E383-K387 HydrophobicContact CG-CD 4.37Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.27Å; E383-K387 IonicContact OE1-NZ 2.98Å; E383-K387 PolarHBondContact OE1-NZ 2.75Å
384H42.7Very low40.3Very low162 Ų162123 Ų12375%0.7563%0.625SS**Hα-helixtrans-61.8-41-179-81.5-74.3000113.7T386 K387 L388H384-T386 VanDerWaalsContact C-N 3.3Å; H384-T386 PolarHBondContact O-N 2.77Å; H384-K387 PolarHBondContact O-N 3.42Å; H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 PolarHBondContact O-N 3.12Å
385L40.5Very low41.4Very low96 Ų96119.4 Ų119.450%0.50361%0.605SS.*Hα-helixtrans-68.8-32.7-179.1-166.968.6000111.7E383 K389E383-L385 PolarHBondContact O-N 3.18Å; L385-K389 PolarHBondContact O-N 3.36Å
386T48.4Very low42Very low91 Ų91121.1 Ų121.156%0.55860%0.602SS**Hα-helixtrans-71.7-43.7177.2-49.50000111.1H382 E383 H384 K389 L390H382-T386 PolarHBondContact O-N 2.98Å; H382-T386 PolarHBondContact O-OG1 3.4Å; E383-T386 PolarHBondContact O-N 3.29Å; H384-T386 VanDerWaalsContact C-N 3.3Å; H384-T386 PolarHBondContact O-N 2.77Å; T386-K389 PolarHBondContact O-N 3.14Å; T386-L390 PolarHBondContact O-N 2.86Å
387K44.3Very low42.8Very low72 Ų72119.6 Ų119.631%0.31360%0.599SS.*Hα-helixtrans-63.5-40.9174.8-71.1-178.6-177.7173.50112.8E383 H384 K389 L390 C391E383-K387 HydrophobicContact CG-CD 4.37Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.27Å; E383-K387 IonicContact OE1-NZ 2.98Å; E383-K387 PolarHBondContact OE1-NZ 2.75Å; H384-K387 PolarHBondContact O-N 3.42Å; K387-K389 VanDerWaalsContact C-N 3.35Å; K387-K389 PolarHBondContact O-N 3.44Å; K387-L390 WeakPolarHBondContact O-CB 3.26Å; K387-L390 PolarHBondContact O-N 3.44Å; K387-L390 VanDerWaalsContact O-N 3.13Å; K387-C391 PolarHBondContact O-N 2.88Å
388L42.5Very low43.5Very low110 Ų110119.1 Ų119.158%0.57660%0.595SS**Hα-helixtrans-61-42.9176.5-168.473000111.8H384 L390 C391 L392H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 PolarHBondContact O-N 3.12Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 2.95Å; L388-C391 PolarHBondContact O-N 2.84Å; L388-L392 HydrophobicContact CG-CD1 4.42Å; L388-L392 VanDerWaalsContact O-CD1 3.32Å; L388-L392 WeakPolarHBondContact O-CD1 3.45Å; L388-L392 PolarHBondContact O-N 3.11Å; L388-L392 VanDerWaalsContact O-N 3.14Å
389K45.7Very low43.9Very low139 Ų139117.6 Ų117.660%0.60458%0.584SS**Hα-helixtrans-62.6-39.9173.2-75.9-174.8176.1-174.20112.2L385 T386 K387 L392 I393L385-K389 PolarHBondContact O-N 3.36Å; T386-K389 PolarHBondContact O-N 3.14Å; K387-K389 VanDerWaalsContact C-N 3.35Å; K387-K389 PolarHBondContact O-N 3.44Å; K389-L392 PolarHBondContact O-N 3Å; K389-I393 WeakPolarHBondContact O-CD1 3.49Å; K389-I393 VanDerWaalsContact O-CG1 3.27Å; K389-I393 WeakPolarHBondContact O-CG1 3.26Å; K389-I393 PolarHBondContact O-N 2.76Å
390L46.5Very low44Very low97 Ų97115.9 Ų115.951%0.50858%0.581SS.*Hα-helixtrans-63.9-41.6177.7-152.673.6000111.8T386 K387 L388 L392 I393 C394T386-L390 PolarHBondContact O-N 2.86Å; K387-L390 WeakPolarHBondContact O-CB 3.26Å; K387-L390 PolarHBondContact O-N 3.44Å; K387-L390 VanDerWaalsContact O-N 3.13Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 2.95Å; L390-L392 PolarHBondContact O-N 3.26Å; L390-I393 PolarHBondContact O-N 2.82Å; L390-I393 VanDerWaalsContact O-N 3.14Å; L390-C394 PolarHBondContact O-N 2.72Å; L390-C394 PolarHBondContact O-SG 2.84Å
391C43.8Very low43.9Very low61 Ų61118 Ų11841%0.41258%0.584SS.*Hα-helixtrans-59.6-45.6174.3-172.60000112.1K387 L388 I393 C394 L395K387-C391 PolarHBondContact O-N 2.88Å; L388-C391 PolarHBondContact O-N 2.84Å; C391-I393 VanDerWaalsContact C-N 3.32Å; C391-I393 PolarHBondContact O-N 2.69Å; C391-C394 PolarHBondContact O-N 3.06Å; C391-L395 WeakPolarHBondContact O-CG 3.21Å; C391-L395 PolarHBondContact O-N 2.9Å
392L45Very low43.8Very low99 Ų99111.7 Ų111.752%0.51856%0.563SS.*Hα-helixtrans-64.5-32.3173.8-91.282.2000113.3L388 K389 L390 K396L388-L392 HydrophobicContact CG-CD1 4.42Å; L388-L392 VanDerWaalsContact O-CD1 3.32Å; L388-L392 WeakPolarHBondContact O-CD1 3.45Å; L388-L392 PolarHBondContact O-N 3.11Å; L388-L392 VanDerWaalsContact O-N 3.14Å; K389-L392 PolarHBondContact O-N 3Å; L390-L392 PolarHBondContact O-N 3.26Å; L392-K396 WeakPolarHBondContact O-CB 3.4Å; L392-K396 PolarHBondContact O-N 3.46Å
393I53.2Low43.5Very low92 Ų92112.9 Ų112.947%0.47257%0.569SS.*Hα-helixtrans-69.8-40.1175.7-71.2163.2000110.8K389 L390 C391 K396 K397K389-I393 WeakPolarHBondContact O-CD1 3.49Å; K389-I393 VanDerWaalsContact O-CG1 3.27Å; K389-I393 WeakPolarHBondContact O-CG1 3.26Å; K389-I393 PolarHBondContact O-N 2.76Å; L390-I393 PolarHBondContact O-N 2.82Å; L390-I393 VanDerWaalsContact O-N 3.14Å; C391-I393 VanDerWaalsContact C-N 3.32Å; C391-I393 PolarHBondContact O-N 2.69Å; I393-K396 PolarHBondContact O-N 3.19Å; I393-K397 WeakPolarHBondContact O-CB 3.49Å; I393-K397 PolarHBondContact O-N 2.85Å
394C43.6Very low43.1Very low73 Ų73111.7 Ų111.749%0.49357%0.573SS.*Hα-helixtrans-63.2-46.4172.5-69.80000111.7L390 C391 K396 K397 F398L390-C394 PolarHBondContact O-N 2.72Å; L390-C394 PolarHBondContact O-SG 2.84Å; C391-C394 PolarHBondContact O-N 3.06Å; C394-K396 PolarHBondContact O-N 2.68Å; C394-K397 PolarHBondContact O-N 3.1Å; C394-F398 PolarHBondContact O-N 3.31Å
395L49.9Very low42.8Very low91 Ų91110.1 Ų110.148%0.47657%0.569SS.*Hα-helixtrans-60.6-40.9175.7-73.1166.5000112.2I123 C391 F398 H399I123-L395 HydrophobicContact CD1-CD2 4.19Å; C391-L395 WeakPolarHBondContact O-CG 3.21Å; C391-L395 PolarHBondContact O-N 2.9Å; L395-F398 PolarHBondContact O-N 3.05Å; L395-H399 PolarHBondContact O-N 2.94Å
396K43.5Very low42.5Very low162 Ų162108.3 Ų108.370%0.70457%0.568SS**Hα-helixtrans-67.9-35.8173.6-79.6-167.5171.2-168.60113.3L392 I393 C394 F398 H399L392-K396 WeakPolarHBondContact O-CB 3.4Å; L392-K396 PolarHBondContact O-N 3.46Å; I393-K396 PolarHBondContact O-N 3.19Å; C394-K396 PolarHBondContact O-N 2.68Å; K396-F398 VanDerWaalsContact C-N 3.3Å; K396-F398 PolarHBondContact O-N 2.71Å; K396-H399 PolarHBondContact O-N 3.3Å
397K47.4Very low41.8Very low167 Ų167107.3 Ų107.373%0.72657%0.565SS**Hα-helixtrans-71.6-20.2174.7-85.2-167.6170.8-173.10113.9I393 C394 P400I393-K397 WeakPolarHBondContact O-CB 3.49Å; I393-K397 PolarHBondContact O-N 2.85Å; C394-K397 PolarHBondContact O-N 3.1Å; K397-P400 VanDerWaalsContact O-CD 3.26Å; K397-P400 WeakPolarHBondContact O-CD 3.46Å
398F44.5Very low41.3Very low181 Ų181111 Ų11179%0.79459%0.587SS**THydrogen-bonded Turntrans-89.53.3171.3-96.7-87000114.3C394 L395 K396C394-F398 PolarHBondContact O-N 3.31Å; L395-F398 PolarHBondContact O-N 3.05Å; K396-F398 VanDerWaalsContact C-N 3.3Å; K396-F398 PolarHBondContact O-N 2.71Å
399H43.9Very low40.9Very low121 Ų121110.1 Ų110.156%0.5659%0.59SS**  trans-95.811.8178.7-145.2-83.3000118.1L395 K396 L401 S402L395-H399 PolarHBondContact O-N 2.94Å; K396-H399 PolarHBondContact O-N 3.3Å; H399-L401 PolarHBondContact O-N 3.34Å; H399-S402 VanDerWaalsContact CE1-CB 3.43Å; H399-S402 WeakPolarHBondContact CE1-CB 3.15Å; H399-S402 PolarHBondContact CE1-OG 2.92Å; H399-S402 PolarHBondContact ND1-OG 2.94Å; H399-S402 VanDerWaalsContact ND1-OG 3.08Å
400P35.2Very low40.3Very low98 Ų98106.8 Ų106.864%0.63658%0.584SS**THydrogen-bonded Turntrans-78.845.4175.737-36.2000112.3K397K397-P400 VanDerWaalsContact O-CD 3.26Å; K397-P400 WeakPolarHBondContact O-CD 3.46Å
401L36.1Very low39.6Very low139 Ų139109.1 Ų109.173%0.72860%0.597SS**THydrogen-bonded Turntrans-130.9-1.4174.7-94.5169000113.2H399H399-L401 PolarHBondContact O-N 3.34Å
402S36.8Very low39.1Very low51 Ų51113.4 Ų113.436%0.35761%0.614SS.*SBendtrans-92.9-6175.769.80000114.4H399 A406H399-S402 VanDerWaalsContact CE1-CB 3.43Å; H399-S402 WeakPolarHBondContact CE1-CB 3.15Å; H399-S402 PolarHBondContact CE1-OG 2.92Å; H399-S402 PolarHBondContact ND1-OG 2.94Å; H399-S402 VanDerWaalsContact ND1-OG 3.08Å; S402-A406 PolarHBondContact O-N 3.04Å
403Q36.4Very low38.4Very low159 Ų159115.5 Ų115.574%0.74363%0.625SS**THydrogen-bonded Turntrans-88.2-12.9-174.2-74-176.6-44.500114.3
404S35.9Very low37.2Very low85 Ų85118.9 Ų118.959%0.59465%0.645SS**THydrogen-bonded Turntrans-88.4-7.1168.853.50000114.1S407S404-S407 PolarHBondContact O-OG 2.98Å
405L34.9Very low36.4Very low129 Ų129121.1 Ų121.168%0.67566%0.661SS**THydrogen-bonded Turntrans-103.8-25.4175.4-80.8163.1000112.7S407 L408L405-S407 PolarHBondContact O-N 3.33Å; L405-L408 PolarHBondContact O-N 3.47Å
406A35.3Very low35.5Very low58 Ų58121.5 Ų121.548%0.47967%0.671SS.*G310 helixtrans-67.8-23.7173.900000113.3S402 L408 S409S402-A406 PolarHBondContact O-N 3.04Å; A406-L408 PolarHBondContact O-N 2.91Å; A406-S409 PolarHBondContact O-OG 3.06Å
407S33.8Very low34.8Very low70 Ų70119 Ų11949%0.4967%0.674SS.*G310 helixtrans-79.35.2177.355.20000114.5S404 L405S404-S407 PolarHBondContact O-OG 2.98Å; L405-S407 PolarHBondContact O-N 3.33Å
408L33.8Very low33.8Very low148 Ų148118.4 Ų118.478%0.77568%0.678SS**G310 helixtrans-116.33.1175.3-119.775.1000113.2L405 A406L405-L408 PolarHBondContact O-N 3.47Å; A406-L408 PolarHBondContact O-N 2.91Å
409S33.7Very low33.1Very low93 Ų93115 Ų11565%0.6567%0.672SS**SBendtrans-124.34.6-175.163.10000114.7A406A406-S409 PolarHBondContact O-OG 3.06Å
410S33.3Very low32.2Very low69 Ų69116.6 Ų116.648%0.48368%0.683SS.*SBendtrans-89.8-29.2-18045.20000114.2I412S410-I412 PolarHBondContact O-N 2.99Å
411D32.4Very low32.1Very low145 Ų145119.9 Ų119.978%0.77569%0.694SS**THydrogen-bonded Turntrans-8412.5-159-61.92.2000114.3
412I32.8Very low31.6Very low151 Ų151119.2 Ų119.277%0.77469%0.691SS**THydrogen-bonded Turntrans-117.1-14-174.2-66.6178.2000112.5S410S410-I412 PolarHBondContact O-N 2.99Å
413L29.5Very low31.3Very low143 Ų143124 Ų12475%0.74971%0.712SS**SBendtrans-137.584.1-173.6-81.5165.3000113.3
414N29Very low30.8Very low164 Ų164122.9 Ų122.988%0.87771%0.712SS**  trans175.477.7135.6-89.9-24.5000111.9
415S26Very low30.6Very low119 Ų119124.3 Ų124.383%0.83272%0.722SS**  trans-109.945.4178.248.20000112.9
416S31.7Very low30.4Very low99 Ų99126.2 Ų126.269%0.69273%0.727SS**  trans-15591.6179.121.70000116.4
417S27.8Very low30.2Very low109 Ų109131.5 Ų131.576%0.76274%0.742SS**  65157.2125.3-53.50000123.9
418L27.5Very low29.9Very low156 Ų156134.4 Ų134.482%0.81775%0.752SS**  trans7596.6172.5-65.4109.2000117
419T29.8Very low29.7Very low109 Ų109134.3 Ų134.367%0.66975%0.75SS**  70.4100.980.561.20000114.2
420I25.3Very low29.5Very low155 Ų155136.7 Ų136.780%0.79576%0.755SS**  69116.385.9-65.2165.2000113.8
421I31.4Very low29.4Very low166 Ų166139.7 Ų139.785%0.85177%0.766SS**  -156.5149.9128.6-98.5154.1000107.2
422N26.4Very low29.3Very low126 Ų126142.3 Ų142.367%0.67477%0.77SS**  trans-146.4137.1-172.1170.373.2000108.6
423D31.1Very low29.3Very low150 Ų150140.5 Ų140.580%0.80277%0.768SS**  trans-148.8139.2174.3-111.7-39.7000112.1
424N26.3Very low29.4Very low136 Ų136141.9 Ų141.973%0.72778%0.777SS**  trans-131.1125.4-178.6-81.5-54.9000110.1
425S31.8Very low29.3Very low116 Ų116139.3 Ų139.381%0.81177%0.772SS**  trans-167160.9157.447.80000109.9
426H29Very low29.5Very low168 Ų168141.6 Ų141.678%0.77877%0.772SS**  cis-178.9167.1-39.9-140.8-111.2000104.3
427E31.4Very low29.3Very low169 Ų169140.9 Ų140.979%0.7977%0.773SS**  trans67.8159.6175.4-49-161.8125.800117.2
428N26.9Very low29.4Very low132 Ų132145.7 Ų145.771%0.70678%0.78SS**  cis170.4165.5-49.2-107.8-32.3000108.1
429I30.4Very low29.4Very low145 Ų145143.8 Ų143.874%0.74478%0.775SS**  trans84.3132.5147.7-79.1156.7000121.1
430L29.6Very low29.4Very low144 Ų144145.4 Ų145.475%0.75479%0.785SS**  trans85.788.1154-112.962.8000123.8
431N30.7Very low29.5Very low132 Ų132143.3 Ų143.371%0.70678%0.779SS**  61.7123.9116.4-65.3-20.1000125.1
432K30.2Very low29.4Very low199 Ų199141.3 Ų141.387%0.86578%0.775SS**  trans91145.2130.7-84.8-170.2173.5-177.40120.9
433P32.8Very low29.5Very low113 Ų113140.2 Ų140.273%0.73477%0.773SS**  trans-103.2175.7-172.742.3-36.9000113.5
434N32.4Very low29.5Very low173 Ų173138.5 Ų138.593%0.92577%0.768SS**  trans-144.5149.8153.4-100.7-38000110.6
435S26.4Very low29.6Very low110 Ų110138.6 Ų138.677%0.76977%0.767SS**  trans-108.9146.517957.50000111.6
436I31.8Very low29.5Very low166 Ų166139.2 Ų139.285%0.85177%0.766SS**  trans-137.4125.4159.1-60.6-176.8000107.4
437A26.3Very low29.6Very low85 Ų85136.7 Ų136.770%0.70276%0.763SS**  trans-95.3154.8177.100000111.5
438K29.9Very low29.6Very low209 Ų209133.7 Ų133.791%0.90976%0.756SS**  trans-137.7134.5156.6-75.4-165.9175.6-177.70109.9
439T27Very low29.8Very low116 Ų116133 Ų13371%0.71276%0.757SS**  trans-121.2142.1-175.6-54.60000109.3V441T439-V441 HydrophobicContact CG2-CG2 4.08Å
440T30.3Very low29.7Very low144 Ų144136 Ų13688%0.88376%0.76SS**  trans-146.5142.4160.6-51.80000108.8
441V27.5Very low29.9Very low110 Ų110136 Ų13667%0.66776%0.76SS**  trans-135.1146-168.8170.40000109.6T439T439-V441 HydrophobicContact CG2-CG2 4.08Å
442T30Very low30Very low125 Ų125135.8 Ų135.877%0.76776%0.759SS**  trans-173.9109.1145-71.50000107.4
443T28.6Very low30.1Very low103 Ų103131.8 Ų131.863%0.63275%0.747SS**  63131.994.8-22.80000112.8
444T29.5Very low30.1Very low114 Ų114132 Ų13270%0.69974%0.741SS**  cis-165.8130.549.5-52.20000115.4
445I29.4Very low30.1Very low138 Ų138129.9 Ų129.971%0.70873%0.73SS**  trans24.3132.9135.9-47.9171.3000118.9
446T30.3Very low30.4Very low129 Ų129130 Ų13079%0.79173%0.727SS**  -168.1162.790-51.60000114.3
447T30.5Very low30.4Very low114 Ų114128.3 Ų128.370%0.69972%0.719SS**  trans-94.3-166.5-165.851.90000114.7
448T31.1Very low30.6Very low107 Ų107131.8 Ų131.866%0.65673%0.726SS**  cis-173.114528-17.20000114.4
449T30.6Very low30.7Very low118 Ų118125 Ų12572%0.72472%0.715SS**  trans51.7158.4140.449.30000124.8
450Y28.3Very low30.7Very low206 Ų206126.9 Ų126.981%0.80872%0.721SS**  cis179.5-178.1-29.1-135-91.7000110.1
451I33.7Very low30.8Very low146 Ų146127 Ų12775%0.74972%0.716SS**  trans82.7126.3160.6-69.4155.3000117
452N32.9Very low30.8Very low127 Ų127125.9 Ų125.968%0.67971%0.714SS**  87.1144.755.1-103.649.9000113.7
453D32.2Very low30.9Very low115 Ų115127.2 Ų127.262%0.61572%0.716SS**  cis-165.6160.62.1-151.24.2000115.9
454N32.8Very low30.8Very low116 Ų116129.7 Ų129.762%0.6273%0.725SS**  trans55145.2142.2-92.9-43.7000128.4
455N32.1Very low31.1Very low129 Ų129129 Ų12969%0.6972%0.723SS**  trans75.1152.8145.3-74.2-31.5000121.9
456T34.1Very low30.8Very low114 Ų114131.2 Ų131.270%0.69973%0.728SS**  cis-157137.49.9-2.30000115.5
457N30.9Very low30.5Very low129 Ų129131.9 Ų131.969%0.6973%0.726SS**  trans52.1144.5131.4-68.40.2000127.9
458N31.8Very low30.1Very low158 Ų158133 Ų13385%0.84573%0.726SS**  trans74.6140.5149.5-60.5-13.6000120.5
459G30.6Very low29.8Very low67 Ų67134 Ų13469%0.69173%0.727SS**  cis165.2148.5-13.500000117.4
460N28.2Very low29.4Very low156 Ų156134.8 Ų134.883%0.83474%0.736SS**  trans73.7152.6151.5-68.90.4000123.6
461N31.8Very low29.3Very low146 Ų146130.9 Ų130.978%0.78173%0.734SS**  trans71.8136.6166.8-58.2-8.5000118.2
462S27.8Very low28.9Very low87 Ų87129.7 Ų129.761%0.60873%0.733SS**  cis157150-32.251.90000108.3
463N31Very low28.6Very low152 Ų152127.6 Ų127.681%0.81374%0.741SS**  trans96.883.1166.1-50.8-19.7000118.2
464N27.7Very low28.3Very low155 Ų155126.2 Ų126.283%0.82974%0.74SS**  -0.8158121-74.2-0000119
465P34.4Very low28Very low101 Ų101131.1 Ų131.166%0.65675%0.751SS**  cis-144.2-154.6-30.139.2-18.1000112.6
466F24Very low27.7Very low183 Ų183130 Ų13080%0.80375%0.746SS**  trans87.3128.8161.3-81.6-63.4000121.3
467L23.2Very low27.4Very low144 Ų144132.7 Ų132.775%0.75475%0.75SS**  trans80.3142139.1-86.4160.4000121.9
468I23.6Very low27.1Very low138 Ų138135.4 Ų135.471%0.70876%0.759SS**  trans88.2130.2150.9-70.8158.2000118.9
469N24.2Very low26.8Very low127 Ų127132.8 Ų132.868%0.67975%0.753SS**  trans65.388163-66.1-8.4000120.4V471N469-V471 HydrophobicContact CB-CG2 4.03Å
470C22.6Very low26.5Very low134 Ų134135.2 Ų135.291%0.90575%0.754SS**PPolyproline II helix-76.7117.9123.6-70.90000107.8
471V26.4Very low26.4Very low125 Ų125131.7 Ų131.776%0.75874%0.738SS**PPolyproline II helixtrans-82.1124.5178.91780000109.9N469N469-V471 HydrophobicContact CB-CG2 4.03Å
472T24.6Very low26.2Very low120 Ų120133.2 Ų133.274%0.73674%0.74SS**PPolyproline II helixtrans-75.9137.1171.742.30000111.4
473G26.2Very low26.2Very low83 Ų83133.2 Ų133.286%0.85673%0.731SS**  trans-114.186.6166.200000109.8
474C25.6Very low26.1Very low87 Ų87131.4 Ų131.459%0.58873%0.727SS**  trans-80.9153.1174.9-58.30000110.9
475Y28Very low26Very low218 Ų218130.8 Ų130.886%0.85572%0.723SS**  -155.2111.4110.5-102.8-72.4000109.7
476N26Very low25.5Very low107 Ų107133 Ų13357%0.57273%0.729SS**  trans34.2141.5135-57.131000119.8
477E27.7Very low25.6Very low169 Ų169130.6 Ų130.679%0.7972%0.723SS**  cis-150.1155.616.4-133.9142.5-119.700113.2
478Q24.4Very low25.7Very low186 Ų186129.8 Ų129.887%0.86972%0.719SS**  trans-100.3173.2167.6-55.2168.2-50.700107.2
479S25Very low25.8Very low104 Ų104129.9 Ų129.973%0.72772%0.721SS**  cis-145.9-152.12.2-147.50000106.6
480T25.1Very low25.9Very low118 Ų118132.8 Ų132.872%0.72473%0.73SS**  cis-151.4-171.86-23.80000108.5
481V25.5Very low26.3Very low82 Ų82132 Ų13250%0.49772%0.722SS.*  trans-136.2142.2165.8176.40000107.9Q754V481-Q754 HydrophobicContact CG2-CG 4.4Å
482H26.9Very low26.2Very low178 Ų178132.1 Ų132.182%0.82473%0.728SS**  trans-162.3147.6146.7-108.2-73.9000112.5
483H27.7Very low26.3Very low87 Ų87134.6 Ų134.640%0.40373%0.731SS.*  trans-125.1154.1173-138.3-68000106.2
484P29.5Very low26.3Very low113 Ų113139.2 Ų139.273%0.73473%0.73SS**  -152.4179.891.740.6-22.5000116
485L25.5Very low26.5Very low142 Ų142143.4 Ų143.474%0.74375%0.745SS**  trans-78.2151.9163.6-56.6109000111.7
486L24.8Very low26.3Very low149 Ų149138.7 Ų138.778%0.7874%0.744SS**  168.6147.5106.8-90.9173.5000114.2
487I25.6Very low26.4Very low132 Ų132138.7 Ų138.768%0.67775%0.752SS**  trans75.3148.7147.4-71.5162.1000119.2
488D25.9Very low26.6Very low127 Ų127136.3 Ų136.368%0.67975%0.754SS**  trans61.8117.1176.7-68.1-35000116.7
489N24.9Very low26.6Very low139 Ų139134.6 Ų134.674%0.74375%0.75SS**  85.713760.9-82.2-48000111.7
490E25.9Very low26.9Very low188 Ų188136.8 Ų136.888%0.87975%0.749SS**  trans64.2139.5-161-45.5-172.2150.100111.8
491V30.5Very low27.2Very low119 Ų119138.6 Ų138.672%0.72175%0.746SS**  cis-126.7123.38174.50000109.3
492S25.3Very low27.3Very low127 Ų127141.2 Ų141.289%0.88876%0.758SS**  trans-124.525.8172.3-156.60000112.6
493Q25.6Very low27.3Very low172 Ų172139.6 Ų139.680%0.80476%0.755SS**  trans-139.690.5178.2-73.1-170.6-9.300111.5
494Q26.9Very low27.3Very low180 Ų180140.6 Ų140.684%0.84177%0.771SS**  trans-167160.4149.4-109.7163.138.200110.5
495I29.8Very low27.2Very low174 Ų174140.3 Ų140.389%0.89277%0.772SS**  trans77.862.9-174-45.6167.7000113.7
496S25Very low27.2Very low120 Ų120138.4 Ų138.484%0.83977%0.77SS**  trans-144.740.3163.268.20000112.2
497S26.7Very low27.4Very low106 Ų106140.4 Ų140.474%0.74178%0.775SS**  trans-160.783.4-176.960.80000114.3
498S31.4Very low27.5Very low119 Ų119141 Ų14183%0.83278%0.78SS**  trans-142.873.8163.549.90000111.4H500S498-H500 PolarHBondContact O-N 3.29Å
499L25.8Very low27.6Very low150 Ų150141.8 Ų141.879%0.78578%0.783SS**  trans-60.1130.1166.4-66.191.2000109.6
500H31.6Very low27.7Very low151 Ų151141.2 Ų141.270%0.69978%0.78SS**  -178.5137.9110.6-100.3-53.1000115.4S498S498-H500 PolarHBondContact O-N 3.29Å
501K30.2Very low27.8Very low155 Ų155138.7 Ų138.767%0.67478%0.779SS**  trans67.5113.8140.8-71.8164.4179.7166.90120.2
502N27.1Very low27.7Very low137 Ų137137.4 Ų137.473%0.73378%0.776SS**  52.3121.7117.8-53.316.6000117.4
503N27.6Very low27.9Very low145 Ų145138.8 Ų138.878%0.77577%0.773SS**  179.2169.866.4-112.9-12.9000112.7
504C26.9Very low27.9Very low107 Ų107134.7 Ų134.772%0.72376%0.764SS**  trans66.2113.9161.4-63.90000116.8
505S28.4Very low27.9Very low108 Ų108132.9 Ų132.976%0.75576%0.759SS**  83.2116.269.9-710000112.1
506S25.4Very low27.8Very low102 Ų102132.7 Ų132.771%0.71375%0.754SS**  cis106.176.633.270.70000113.2
507E29.6Very low27.7Very low190 Ų190137.6 Ų137.689%0.88876%0.756SS**  trans-148.8132.7158.7-96.6169.4-177.500105.9
508L26.6Very low27.7Very low146 Ų146138.9 Ų138.976%0.76476%0.755SS**  cis113.5118.319.5-85167.6000112.4
509L27.7Very low27.4Very low142 Ų142138.5 Ų138.574%0.74375%0.752SS**  trans89132.9146.9-65.5163.4000122.6
510N28Very low27.4Very low127 Ų127135.6 Ų135.668%0.67974%0.744SS**  trans77.4101.3143.7-64.2-8.7000121.8
511P28.8Very low27.2Very low135 Ų135135 Ų13588%0.87776%0.756SS**  trans-97.397.1157.235.1-26.9000112
512S26.8Very low27Very low93 Ų93138.5 Ų138.565%0.6577%0.765SS**  trans-161.899.1169.8500000115
513N29.9Very low27Very low155 Ų155138.3 Ų138.383%0.82976%0.764SS**  trans-175.4118.6145.9-89.1-31.1000106.1
514S26.2Very low26.9Very low87 Ų87141.8 Ų141.861%0.60877%0.766SS**  cis83.8143.84984.20000114
515L26.8Very low27Very low141 Ų141147.4 Ų147.474%0.73877%0.773SS**  trans86.1118.7166.6-63.9156.7000119.2
516Q27.1Very low26.8Very low170 Ų170149.9 Ų149.979%0.79478%0.777SS**  trans76.9108.6137.5-68.2177.3-84.200121.4
517Y24.3Very low26.9Very low223 Ų223156.4 Ų156.488%0.87579%0.787SS**  trans-33.6134.7131.5-90-113.6000112.9
518D26.3Very low26.7Very low133 Ų133151.7 Ų151.771%0.71178%0.776SS**  trans-125.3143.6140.6-171.87.4000108.8S520D518-S520 VanDerWaalsContact OD1-CB 3.24Å; D518-S520 WeakPolarHBondContact OD1-CB 3.04Å; D518-S520 PolarHBondContact OD1-N 2.87Å; D518-S520 PolarHBondContact OD1-OG 3.15Å
519S23.9Very low26.7Very low111 Ų111151 Ų15178%0.77677%0.773SS**  trans-128.343.9-175.256.30000111.6
520S27.1Very low26.7Very low89 Ų89154 Ų15462%0.62278%0.776SS**  trans-12665.6-166.6-55.60000114.7D518D518-S520 VanDerWaalsContact OD1-CB 3.24Å; D518-S520 WeakPolarHBondContact OD1-CB 3.04Å; D518-S520 PolarHBondContact OD1-N 2.87Å; D518-S520 PolarHBondContact OD1-OG 3.15Å
521C27.4Very low26.7Very low140 Ų140156.3 Ų156.395%0.94679%0.786SS**  trans-152.397.8160.4-125.20000113.6
522R24.4Very low26.8Very low228 Ų228154.8 Ų154.886%0.8678%0.779SS**  trans-129.9111.5173.6177.5-161.1-82.1-157.4-2.4109.4
523N26.9Very low26.8Very low133 Ų133154.8 Ų154.871%0.71178%0.779SS**  trans162.2145137.9-86.5-37.9000112.9
524R26.6Very low26.8Very low218 Ų218157.5 Ų157.582%0.82378%0.779SS**  trans70.2141.7177-47.3170.3-141.1-135.91.4112.8
525Y28.2Very low26.9Very low224 Ų224164.8 Ų164.888%0.87879%0.793SS**  cis-111.3163.810.7-80.2-102000113.7
526I25.5Very low27Very low160 Ų160168.2 Ų168.282%0.82180%0.797SS**  trans-101.2130.2172.2-63.7167.3000108.2
527Y27.5Very low27.1Very low239 Ų239165.9 Ų165.994%0.93779%0.79SS**  trans-135.6151.7148.3-113.9-90.3000107.7
528S25Very low27.4Very low92 Ų92159.9 Ų159.964%0.64378%0.779SS**  trans-84.3166.4-170.6-159.90000113.2
529D26.3Very low27.4Very low131 Ų131162.7 Ų162.770%0.70178%0.781SS**  trans84.2153.1161-48.8-21.4000117.5
530Y28.4Very low27.8Very low206 Ų206167.8 Ų167.881%0.80879%0.785SS**  trans64.446177.8-74.5-82.2000119.5
531I27.8Very low27.9Very low174 Ų174168.7 Ų168.789%0.89279%0.791SS**  trans-127100.1150.9-55.7-177.7000111.6
532S29.4Very low27.9Very low104 Ų104171 Ų17173%0.72779%0.785SS**  trans-152154.4156.475.20000112.1
533S27Very low28.1Very low93 Ų93168.9 Ų168.965%0.6579%0.785SS**SBendtrans77.426.9166.779.40000121.5
534Y30Very low28.2Very low212 Ų212170 Ų17083%0.83179%0.792SS**  trans-118.376.7150.3-86.9-75000112.2Y536Y534-Y536 PolarHBondContact O-N 3.49Å
535R28.9Very low28.4Very low240 Ų240165 Ų16591%0.90679%0.79SS**  trans-84.299.4166.1-173-175.7-69.8-170.2-0.7108.5N537R535-N537 PolarHBondContact O-N 3.46Å
536Y29.4Very low28.5Very low212 Ų212163.1 Ų163.183%0.83179%0.786SS**  trans-59.6131.4175.6-143.1-93.8000110Y534Y534-Y536 PolarHBondContact O-N 3.49Å
537N28.8Very low28.9Very low121 Ų121165.3 Ų165.365%0.64779%0.785SS**  trans-125.2101.7177-176.217000109.2R535 Y539R535-N537 PolarHBondContact O-N 3.46Å; N537-Y539 PolarHBondContact O-N 3.31Å
538P29.6Very low28.9Very low98 Ų98158.6 Ų158.664%0.63677%0.774SS**  trans-82.838.8-165.835.4-38000114
539Y28.1Very low29.4Very low191 Ų191160.3 Ų160.375%0.74978%0.782SS**  trans-146.785.6177.7-74.9-76.3000112N537N537-Y539 PolarHBondContact O-N 3.31Å
540Y30.4Very low29.5Very low218 Ų218162.5 Ų162.586%0.85579%0.786SS**  trans-152.5156.1146.7-111.8-73.4000111.6
541S30.4Very low29.6Very low109 Ų109160.3 Ų160.376%0.76279%0.787SS**  trans-77.6149.3-158.349.10000116.2Q543S541-Q543 PolarHBondContact O-N 3.04Å
542F27.1Very low29.7Very low188 Ų188159 Ų15983%0.82578%0.78SS**  trans-72111.3179.5-168-89.8000112.6
543Q29.4Very low29.8Very low183 Ų183162.7 Ų162.786%0.85579%0.786SS**  trans-167.1163.5156.7-110.5164.116.200110.8S541S541-Q543 PolarHBondContact O-N 3.04Å
544D28.8Very low29.7Very low158 Ų158167.2 Ų167.285%0.84580%0.797SS**  trans60.364.7178.8-73-1.9000118
545S29.9Very low29.6Very low112 Ų112163 Ų16378%0.78380%0.797SS**  trans-121.6116.4151.659.50000111.4
546K30.1Very low29.8Very low185 Ų185157.4 Ų157.480%0.80479%0.794SS**  trans-136.5147.2168.2-111.3-178.2179.5177.10108.7
547Y33.8Very low29.8Very low205 Ų205153.8 Ų153.880%0.80479%0.788SS**  trans74.677.4179.2-50.9-71.9000117.5
548S29.2Very low29.9Very low99 Ų99155.1 Ų155.169%0.69280%0.795SS**  -113.7138.8125.753.80000108.7
549P34.4Very low30Very low127 Ų127158.4 Ų158.483%0.82581%0.807SS**PPolyproline II helixtrans-85.5124.3167.232.2-28.9000109.4
550F28.9Very low29.9Very low178 Ų178155.1 Ų155.178%0.78181%0.811SS**PPolyproline II helixtrans-76.7140.2168.8-107-95.7000110.2I552F550-I552 HydrophobicContact CB-CG1 4.45Å
551I30.8Very low29.9Very low159 Ų159151.3 Ų151.382%0.81581%0.805SS**PPolyproline II helixtrans-78.2117.6155.1-64.4174.5000105.7
552I28.8Very low29.8Very low148 Ų148152.5 Ų152.576%0.75981%0.812SS**  trans-94.8110172.2-60.6176.7000107F550F550-I552 HydrophobicContact CB-CG1 4.45Å
553Q31.1Very low29.9Very low181 Ų181149 Ų14985%0.84681%0.807SS**  trans-88.4136.1160.9-167.2166-0.400107.6C555Q553-C555 PolarHBondContact O-N 3.16Å
554Q26.7Very low30Very low188 Ų188148.4 Ų148.488%0.87981%0.809SS**  trans-65.4131.4-171.1-69.8153.5-86.500111.7
555C27.9Very low30.1Very low124 Ų124147.4 Ų147.484%0.83880%0.799SS**  trans-126.4133.5155.3-139.80000106.3Q553 I557Q553-C555 PolarHBondContact O-N 3.16Å; C555-I557 PolarHBondContact O-N 3.02Å
556S31.2Very low30.1Very low122 Ų122150.8 Ų150.885%0.85380%0.803SS**  trans-72.1132.1-176.6-150.80000109.7
557I29.8Very low30.1Very low136 Ų136149.9 Ų149.970%0.69781%0.806SS**  trans-93.2128.1165.9-64.6169.5000106.5C555C555-I557 PolarHBondContact O-N 3.02Å
558D32Very low29.8Very low148 Ų148149 Ų14979%0.79180%0.801SS**  trans-153.4171.5139.8-91.5-40.9000107.8
559D31.2Very low29.8Very low167 Ų167151.4 Ų151.489%0.89381%0.806SS**  trans58.676.3-177-65.1-15.3000116.6
560C27Very low29.5Very low122 Ų122153.5 Ų153.582%0.82481%0.805SS**  trans-96.9126.5154.1-68.90000110.3
561D29.2Very low29.5Very low138 Ų138152.8 Ų152.874%0.73880%0.804SS**  trans-149.2127.3140.7-151.3-14000111.7
562C29.4Very low29.3Very low134 Ų134155.8 Ų155.891%0.90581%0.806SS**  trans-165.575.7178.1-109.20000109.6
563T29.3Very low29.2Very low116 Ų116157.3 Ų157.371%0.71281%0.808SS**  trans-87.2120.3175.240.30000111.6
564N31.3Very low28.8Very low169 Ų169155.5 Ų155.590%0.90480%0.803SS**  trans-169.6135.8137.3-99.9-53000111.2
565E29.5Very low28.8Very low137 Ų137152.3 Ų152.364%0.6480%0.801SS**  trans-85.9121.8175.9-72.1-17385.900111.1R568E565-R568 VanDerWaalsContact CD-NH2 3.29Å; E565-R568 IonicContact OE1-CZ 3.72Å; E565-R568 VanDerWaalsContact OE1-CZ 3.3Å; E565-R568 IonicContact OE1-NE 2.69Å; E565-R568 PolarHBondContact OE1-NE 2.9Å; E565-R568 IonicContact OE1-NH2 2.74Å; E565-R568 PolarHBondContact OE1-NH2 2.77Å; E565-R568 IonicContact OE2-CZ 3.47Å; E565-R568 IonicContact OE2-NH2 3.42Å; E565-R568 PolarHBondContact OE2-NH2 3.45Å
566E30.8Very low29Very low184 Ų184152.4 Ų152.486%0.8680%0.798SS**  trans-154.781.1147.2-134.7176.3-139.100113.8
567L30.7Very low28.7Very low165 Ų165156.2 Ų156.286%0.86480%0.799SS**  -179.3109.8125-117.177000110
568R26.1Very low28.7Very low187 Ų187157.7 Ų157.771%0.70680%0.803SS**  trans-87.1125.8172.1-63.8178.5-179.2177.13.1109.5E565E565-R568 VanDerWaalsContact CD-NH2 3.29Å; E565-R568 IonicContact OE1-CZ 3.72Å; E565-R568 VanDerWaalsContact OE1-CZ 3.3Å; E565-R568 IonicContact OE1-NE 2.69Å; E565-R568 PolarHBondContact OE1-NE 2.9Å; E565-R568 IonicContact OE1-NH2 2.74Å; E565-R568 PolarHBondContact OE1-NH2 2.77Å; E565-R568 IonicContact OE2-CZ 3.47Å; E565-R568 IonicContact OE2-NH2 3.42Å; E565-R568 PolarHBondContact OE2-NH2 3.45Å
569N29.1Very low28.6Very low150 Ų150160.4 Ų160.480%0.80280%0.804SS**  trans171.389.9139.5-87.3-27.5000112.5
570H29.5Very low28.4Very low171 Ų171159.6 Ų159.679%0.79280%0.798SS**  178.9159.8115.3-94.6-65.9000110.7
571Q27.7Very low28.7Very low162 Ų162159.8 Ų159.876%0.75780%0.795SS**PPolyproline II helixtrans-85.4134.2-163.9-63.1150.9-74.800113
572Y26.4Very low28.7Very low222 Ų222158.9 Ų158.987%0.87179%0.791SS**PPolyproline II helixtrans-103.2126.1159.5-78-89.4000109.5
573F27.1Very low28.8Very low180 Ų180159 Ų15979%0.78978%0.782SS**PPolyproline II helixtrans-99123.1173.5-108.8-85.7000111.7
574I24Very low28.7Very low144 Ų144163.8 Ų163.874%0.73879%0.787SS**  trans-24.4136.9167-59.4159.4000115.1T576I574-T576 HydrophobicContact CG2-CG2 4.44Å
575S26.2Very low28.6Very low120 Ų120162 Ų16284%0.83977%0.774SS**  trans-119145.3149.5-173.60000108.5
576T30.7Very low28.7Very low127 Ų127161.3 Ų161.378%0.77978%0.781SS**  trans-84.8163.9-163.843.60000115.4I574I574-T576 HydrophobicContact CG2-CG2 4.44Å
577K25.3Very low28.5Very low201 Ų201159 Ų15987%0.87477%0.77SS**  trans-74.1-174.5172.5-65.1-178.7174.3-179.30112.2
578E30.5Very low28.5Very low167 Ų167158.9 Ų158.978%0.7877%0.768SS**  trans129.2132.7151.2-69-163.9172.800111.9
579Y30.1Very low28.6Very low206 Ų206156.6 Ų156.681%0.80877%0.769SS**  cis-148.8166.6-13.1-121.1-67.9000110.1
580L26.7Very low28.8Very low150 Ų150159.1 Ų159.179%0.78578%0.776SS**  trans-87.3166.7177.2-72.9142.3000113.1
581V33.3Very low28.9Very low125 Ų125154.2 Ų154.276%0.75877%0.772SS**  -175.4121.7121.8145.50000113.5
582N28.5Very low29.1Very low120 Ų120152.8 Ų152.864%0.64277%0.769SS**  trans15145.1147.5-39.1-25.4000121.3
583N32.1Very low29.3Very low136 Ų136149.7 Ų149.773%0.72776%0.763SS**  -164.1143.959.5-85.4-56000116.6
584R27.7Very low29.5Very low216 Ų216147.8 Ų147.882%0.81576%0.76SS**  trans13.8133.7143.7-56.2-180-161.1-134.70.2121
585Q29.8Very low29.8Very low133 Ų133147.4 Ų147.462%0.62176%0.757SS**  64.6153.174.8-102.7-177.3-23.100114.3E587Q585-E587 PolarHBondContact NE2-OE1 2.88Å; Q585-E587 PolarHBondContact NE2-OE2 3.33Å
586P30.7Very low30.1Very low121 Ų121149.6 Ų149.679%0.78676%0.76SS**  cis-113-177.915.120.83000114.1
587E26.2Very low30.1Very low135 Ų135148 Ų14863%0.63175%0.754SS**  cis112.4110.4-2-160.1159.7-77.800117.8Q585Q585-E587 PolarHBondContact NE2-OE1 2.88Å; Q585-E587 PolarHBondContact NE2-OE2 3.33Å
588I31.3Very low30.5Very low163 Ų163145.5 Ų145.584%0.83675%0.75SS**  trans-154.3140.8172.4-53.5179.7000106.8
589I29Very low30.5Very low139 Ų139143.9 Ų143.971%0.71375%0.747SS**  cis122.5103.3-4.4-64.8166.1000113.6
590E31.7Very low30.6Very low203 Ų203142.3 Ų142.395%0.94975%0.752SS**  trans143135.6166.9-88.3-177.5-17500107.7
591G31.1Very low30.7Very low69 Ų69140.1 Ų140.171%0.71175%0.749SS**  cis169.5158.2-6.500000107.9
592N32.8Very low30.6Very low132 Ų132142.9 Ų142.971%0.70675%0.753SS**  cis-162.2147.4-3.6-125.742.2000110.1
593E31.5Very low30.6Very low157 Ų157143.9 Ų143.973%0.73476%0.759SS**  trans64157.4147.1-66172.9138.500120.2
594I31.6Very low30.5Very low140 Ų140147.2 Ų147.272%0.71877%0.767SS**  cis-147.1165.3-6.7-124161000112.5
595I29.8Very low30.5Very low135 Ų135142.5 Ų142.569%0.69277%0.767SS**  trans-68.1151.2-177.2-63.6146.8000114.5
596D32.2Very low30.6Very low166 Ų166141.1 Ų141.189%0.88877%0.772SS**  -162.1151.5130-110.3-21.5000113.8
597S30.4Very low30.7Very low94 Ų94140.7 Ų140.766%0.65777%0.772SS**  trans-160.8131.6-171.162.20000114.8
598D33.8Very low30.9Very low149 Ų149142.8 Ų142.880%0.79778%0.779SS**  trans-151.9126163.4-94.9-39.9000108.6
599N29.9Very low30.8Very low133 Ų133140.3 Ų140.371%0.71177%0.768SS**  75.6100.368.2-74.6-46.8000115.1
600L32.2Very low31Very low173 Ų173141.6 Ų141.691%0.90678%0.776SS**  -171.6166.2106.8-130.268000112.9
601S28.7Very low30.9Very low104 Ų104138.9 Ų138.973%0.72777%0.766SS**  trans-134.1157.5176.9630000110.6
602E32.1Very low31Very low182 Ų182142.3 Ų142.385%0.8577%0.769SS**  trans-163165.7145.6-122.4-176.2-155.500113.8
603N27.4Very low31.1Very low142 Ų142142.2 Ų142.276%0.75977%0.767SS**  trans-110.7159.5-165.6-64.7-79000113.9
604K30.8Very low31Very low205 Ų205141.8 Ų141.889%0.89177%0.767SS**  trans-166.2155.9137-107.1143.2-166.6157.10114.4
605S28.3Very low31Very low117 Ų117142.6 Ų142.682%0.81877%0.768SS**  trans-148.1147.9-173.2550000112.2
606S32.4Very low31Very low105 Ų105139.8 Ų139.873%0.73476%0.76SS**  trans-180113.9169.455.20000109.4
607S31.6Very low31Very low112 Ų112142.7 Ų142.778%0.78376%0.76SS**  77.5146.39675.70000116.1
608F30Very low31.1Very low179 Ų179144.3 Ų144.379%0.78576%0.761SS**  cis-173.9142.4-23.5-162.4-117.3000107.5
609N29.6Very low31.1Very low110 Ų110145.2 Ų145.259%0.58876%0.76SS**  trans46.2139.7164.1-6810.5000123.1
610D32.5Very low31.4Very low167 Ų167143.4 Ų143.489%0.89376%0.755SS**  -161.1163.8112.6-104.7-21.2000111.7
611I30.6Very low31.2Very low145 Ų145143.3 Ų143.374%0.74475%0.753SS**  trans-139.4133.7-169.4-63171.7000110.6
612D33.9Very low31.4Very low142 Ų142143 Ų14376%0.75975%0.75SS**  trans172.3161154.4-99.7-9.8000110.9
613L33Very low31.2Very low129 Ų129139.9 Ų139.968%0.67574%0.744SS**  cis-171.9129.9-21-175.969.9000111.2
614M29.3Very low31.4Very low148 Ų148140.9 Ų140.973%0.72975%0.748SS**  trans60.8171159.3-64.9-81.6-177.200117.6
615Q32.6Very low31.1Very low158 Ų158139.6 Ų139.674%0.73874%0.743SS**  cis-151.8145.9-3.3-136.6150.15.900114
616S29.3Very low31.5Very low76 Ų76138.6 Ų138.653%0.53173%0.734SS.*  trans25.113914864.50000124
617Y32.5Very low31.6Very low227 Ų227141.5 Ų141.589%0.8974%0.735SS**  -157.4149.9108.5-101.9-70.8000111.9
618L32.4Very low31.4Very low128 Ų128141 Ų14167%0.6773%0.727SS**  trans-98.9172.6-174.1-71.682.3000111.3
619H34.7Very low31.3Very low168 Ų168142.3 Ų142.378%0.77873%0.729SS**  -167.1174.452.7-106.1-66000112.4
620P34.7Very low31.1Very low94 Ų94145.3 Ų145.361%0.6174%0.739SS**  trans-145-158.3-133.238.4-12.2000116.3
621M29.8Very low30.6Very low172 Ų172142.7 Ų142.785%0.84773%0.733SS**  trans69.6153.6162.3-63.9-66.6-17500117.3
622S31.2Very low30.5Very low97 Ų97141.8 Ų141.868%0.67873%0.734SS**  cis-147.5141.42.942.20000108.9
623T27.8Very low30.2Very low117 Ų117139.7 Ų139.772%0.71873%0.731SS**  45.6137.480.555.90000115
624L31.4Very low30Very low162 Ų162140.7 Ų140.785%0.84874%0.736SS**  cis-152.2179.917.5-153.573.9000112.6
625K26.5Very low30Very low178 Ų178139.1 Ų139.177%0.77473%0.73SS**  trans-99.6-162.8167.1-53.8179.2175.1175.50110.2
626P36.4Very low30Very low97 Ų97138.6 Ų138.663%0.6373%0.727SS**  cis-135.1-161.4-15.120.87.7000114.2
627H32.9Very low30.1Very low165 Ų165143.4 Ų143.476%0.76474%0.739SS**  trans74.7156.6161.4-66.7-67.7000119.3
628T27.5Very low30.2Very low101 Ų101137 Ų13762%0.6273%0.727SS**  -166.7155.3-53.215.90000108.6
629Y28.4Very low30Very low208 Ų208138.6 Ų138.682%0.81674%0.736SS**  trans79.3132.2169.4-63.2-74.6000121.2
630E25.5Very low30.1Very low172 Ų172136.7 Ų136.780%0.80474%0.739SS**  trans53.5116.3145.4-62.5-173.6146.800124.2
631C23Very low29.9Very low113 Ų113135.7 Ų135.776%0.76475%0.745SS**  trans63.7137.1130.5-71.30000124.6
632T27.3Very low30Very low125 Ų125138.3 Ų138.377%0.76775%0.746SS**  trans71.395.8147.643.50000121.1
633S27.7Very low30.1Very low99 Ų99143.5 Ų143.569%0.69275%0.752SS**  83.5150.6119.8770000122
634L28.5Very low30.6Very low150 Ų150144.4 Ų144.479%0.78575%0.752SS**  trans68.9147.2166.4-85.869.1000115.1
635D30Very low30.6Very low114 Ų114143.3 Ų143.361%0.6175%0.747SS**  cis-159.5173.5-7.1-138.8-30.1000112.9
636H32.9Very low31Very low147 Ų147141.2 Ų141.268%0.68175%0.75SS**  trans64.5160.7162.1-62.2-48000119
637F32.2Very low30.6Very low178 Ų178143.9 Ų143.978%0.78176%0.758SS**  cis-144.6141.913.8-126-72.4000112.5
638S32.7Very low30.6Very low91 Ų91145.3 Ų145.364%0.63677%0.766SS**  trans32.3127157.956.50000122.9
639L29.4Very low30.6Very low163 Ų163147.1 Ų147.185%0.85378%0.776SS**  77.2152.355.2-72.2168.3000115.1
640P35.9Very low30.7Very low128 Ų128145.9 Ų145.983%0.83178%0.78SS**  cis-143.216025.141.4-22.1000120.8
641G31.7Very low30.9Very low73 Ų73141.6 Ų141.675%0.75377%0.769SS**  trans107145.4150.600000117.3
642R31.5Very low31.1Very low226 Ų226142.5 Ų142.585%0.85377%0.771SS**  cis-164.6116.20.1179.6-171.6-172.9175.93.9112.7
643Y33.9Very low31.2Very low207 Ų207141.5 Ų141.581%0.81277%0.769SS**  trans63.5147.8160.5-73.5-124.6000116.1
644N36.7Very low31.3Very low135 Ų135142.8 Ų142.872%0.72277%0.773SS**  cis-147.8171.226.7-138.4-15.4000113.6
645N31.9Very low31.5Very low139 Ų139142.5 Ų142.574%0.74377%0.767SS**  trans-61.5163.9-179.7-61.6-31.3000113.4
646T35.2Very low31.5Very low135 Ų135140.8 Ų140.883%0.82876%0.764SS**  cis-145.3157.537.948.50000116
647N28.4Very low31.3Very low152 Ų152137 Ų13781%0.81375%0.754SS**  trans-73.9155.9170.5-45.3-52000112
648E32.5Very low31.3Very low196 Ų196136.7 Ų136.792%0.91676%0.76SS**  -161.9154111.2-114.5175.4-167.100112
649V28.1Very low31.2Very low139 Ų139137.1 Ų137.184%0.84276%0.758SS**  trans-120.3125.2178.6173.30000107.9
650M30.4Very low31.3Very low181 Ų181133.4 Ų133.489%0.89275%0.751SS**  trans-148.2146.1162.6-158.156.5171.100112.1
651S28.9Very low31.3Very low82 Ų82137 Ų13757%0.57376%0.756SS**  trans-103.1157.7-169.557.80000113.6
652T27.8Very low31.6Very low133 Ų133136.7 Ų136.782%0.81675%0.753SS**  trans68.1144.6148.348.80000121.8
653S27.8Very low31.5Very low103 Ų103134.1 Ų134.172%0.7276%0.756SS**  trans99.7100.6143.1-164.60000120.7
654V30.2Very low31.6Very low126 Ų126134.3 Ų134.376%0.76476%0.76SS**  33.4144.6128.6-150.20000121.3
655H32.5Very low31.2Very low145 Ų145132.7 Ų132.767%0.67176%0.76SS**  trans108.889.4148.7-109.4-77.1000119.9
656S29.6Very low31.4Very low78 Ų78135.4 Ų135.455%0.54577%0.768SS.*  38.4129129.1-52.90000123.4
657S30.4Very low31.1Very low68 Ų68136.5 Ų136.548%0.47676%0.761SS.*  trans76.5121.8134.5-174.90000120.1
658L31.4Very low31.4Very low170 Ų170136.6 Ų136.689%0.8976%0.756SS**  trans-152.9136.3150.9-121.3160.6000111
659V31.3Very low31.2Very low101 Ų101133.1 Ų133.161%0.61274%0.744SS**  trans-139.9132.1-178.4170.70000110.1
660A32Very low31.5Very low84 Ų84135.8 Ų135.869%0.69474%0.744SS**  trans51.3114.8159.200000121.4
661H35.6Very low31.5Very low204 Ų204133 Ų13394%0.94473%0.733SS**  trans-161.4150.8140.6-101.2-85.9000106.7
662G38.1Very low31.6Very low67 Ų67136.1 Ų136.169%0.69174%0.743SS**  cis-166.2-177.6-2.900000110.7
663L29.5Very low31.8Very low172 Ų172138.3 Ų138.390%0.90174%0.744SS**  trans-81.2147.3-173.1-49.198.4000114.1
664K34.3Very low31.9Very low210 Ų210143.9 Ų143.991%0.91375%0.751SS**  -172.2152.5114.1-105.7171.9-177.9179.20115.3
665S29.3Very low32Very low102 Ų102145.9 Ų145.971%0.71376%0.756SS**  trans-60.2140.3172.8166.20000113.5
666H36Very low31.9Very low196 Ų196146.3 Ų146.391%0.90776%0.762SS**  trans-144.2160.1132.5-125.9-91.3000111.5
667K29.9Very low32.2Very low158 Ų158147.7 Ų147.769%0.68777%0.769SS**  trans-133123.4-164.5172.9-164.7177.4-172.50109.6
668H34.2Very low32.6Very low154 Ų154150.1 Ų150.171%0.71378%0.784SS**  trans176.8155.4130-106.5-85.6000113.2
669N27.8Very low32.4Very low123 Ų123154 Ų15466%0.65879%0.787SS**  trans-57155.4-175.2-40.8-13.1000114.7
670F33.7Very low33Very low194 Ų194158.1 Ų158.185%0.85180%0.799SS**  -155.7162.6104.5-120.5-85.9000112.3
671N30.7Very low32.8Very low123 Ų123159.2 Ų159.266%0.65880%0.802SS**  trans-75.4173.7-170.8-46.9-27.3000112.1
672N32.1Very low32.5Very low147 Ų147157.1 Ų157.179%0.78680%0.796SS**  cis-162-176.316.2-147.8-7.4000113.4
673Q32.3Very low32.1Very low179 Ų179158.9 Ų158.984%0.83680%0.798SS**  trans79.195.1165.8-68.4-177.6-22.600118.9
674Y28.6Very low32.3Very low220 Ų220156.8 Ų156.886%0.86380%0.798SS**  trans-112.1159.3147.5-85.8-93.8000108.9
675I32.3Very low32.3Very low169 Ų169155.6 Ų155.687%0.86780%0.795SS**  trans-125.7124161.6-65.1179.3000108.7
676L30.1Very low33.1Very low154 Ų154156 Ų15681%0.80680%0.796SS**  trans-150.3169.3174-96175000108
677P36Very low33.4Very low106 Ų106151.3 Ų151.369%0.68878%0.783SS**  trans-93.4168.7-140.536.9-40.5000115.8
678P39.1Very low33.6Very low120 Ų120151.6 Ų151.678%0.77979%0.791SS**  trans-80.9120.3169.832.4-32.5000112.5
679R28.3Very low33.7Very low252 Ų252148.7 Ų148.795%0.95179%0.788SS**  trans-109.2127.1145.5-130.9-175-173.6-169.82.4105.8
680Q42.3Very low34.1Very low187 Ų187148.2 Ų148.287%0.87479%0.794SS**  trans-114.3168.4177.3-81.1-168.3-15.400112
681S28.2Very low34.1Very low107 Ų107142.3 Ų142.375%0.74879%0.788SS**  trans-154.2153.3-15857.40000114
682L30.3Very low34.3Very low159 Ų159142.9 Ų142.983%0.83279%0.791SS**  trans90.9132.9148.7-131.174.6000120.4
683S28Very low34.4Very low105 Ų105143 Ų14373%0.73479%0.787SS**  trans61.6103.9146.559.40000122.6
684S34.7Very low34.2Very low127 Ų127142.8 Ų142.889%0.88879%0.788SS**  -166.4166.4116.457.60000111.7
685Q34.4Very low34.3Very low185 Ų185139.6 Ų139.686%0.86478%0.784SS**  trans-125.9-179.1-167.5-86.3-170.1-22.900111.5
686P46Very low34.3Very low110 Ų110142 Ų14271%0.71478%0.784SS**  cis-122.1-119.6-2929.6-6.3000108.6
687P42.9Very low34.4Very low98 Ų98139.6 Ų139.664%0.63678%0.778SS**  cis-129.5173-43.135.1-16.8000116.3
688L34Very low34Very low165 Ų165142 Ų14286%0.86478%0.784SS**  trans66.5139156.2-71.7153.2000119
689S35.5Very low33.4Very low93 Ų93143.8 Ų143.865%0.6579%0.786SS**  cis-151147.33-176.80000112.7
690S35.9Very low33.4Very low112 Ų112137.6 Ų137.678%0.78378%0.781SS**  trans43.6133.3151.8550000120.6
691G33.9Very low32.6Very low70 Ų70136.4 Ų136.472%0.72278%0.78SS**  cis156.5156.76.200000107.9
692D35.6Very low32.8Very low136 Ų136136.2 Ų136.273%0.72778%0.779SS**  cis-153.9156.22.5-111-61.2000112.1
693Q33.2Very low32.7Very low148 Ų148134.3 Ų134.369%0.69277%0.774SS**  trans28.7121.6153.2-62.9160.165.500120.1
694M27.9Very low32.8Very low176 Ų176136.6 Ų136.687%0.86777%0.773SS**  54.4139.569.9-65.2-164.9-8100113.9
695I31.9Very low32.6Very low152 Ų152137.9 Ų137.978%0.77977%0.765SS**  -157.5142.458.9-76.3169.6000111.8
696Y31.6Very low32.5Very low221 Ų221135.9 Ų135.987%0.86776%0.755SS**  trans-94.9156.3157.7-82.9-84.8000108.5
697P33.3Very low31.6Very low103 Ų103137.7 Ų137.767%0.66976%0.756SS**  -163.2-162.155.341.8-16.7000118.1
698L28Very low31.1Very low156 Ų156138.5 Ų138.582%0.81776%0.755SS**  trans88.3155.8151.3-73.7170.2000121.4
699L25.7Very low30.8Very low157 Ų157137.2 Ų137.282%0.82275%0.748SS**  trans-75.1147.2-169.7-64.362.9000113
700S28.6Very low30.8Very low123 Ų123139.8 Ų139.886%0.8675%0.754SS**  trans-154.6165.7130.463.60000111.5
701L25.6Very low30.6Very low161 Ų161143 Ų14384%0.84375%0.754SS**  trans-103-177.6-174-154.872.3000110.5
702S30.9Very low30.5Very low104 Ų104144.9 Ų144.973%0.72776%0.755SS**  trans79.9157.517479.50000116.7
703T28.9Very low30.4Very low119 Ų119146.3 Ų146.373%0.7376%0.763SS**  174.7150.3-64.138.20000109.4
704H31Very low30.3Very low153 Ų153146.9 Ų146.971%0.70877%0.766SS**  trans79.4123161.9-80.8-79.9000121.7
705H30.6Very low30.5Very low154 Ų154144.4 Ų144.471%0.71376%0.763SS**  trans69152.6143.6-67.4-39.8000119.5
706Q30.4Very low30.3Very low143 Ų143142.9 Ų142.967%0.66876%0.756SS**  cis-153.1147.66.5-142170.7-74.600112.9
707M28.9Very low30.5Very low148 Ų148140.2 Ų140.273%0.72976%0.755SS**  trans61.3164.4148-87.6164163.400119.2
708D31.7Very low30.3Very low114 Ų114140.4 Ų140.461%0.6175%0.75SS**  cis-148166.65.8-135.5-21.8000115.6
709L28.4Very low30.5Very low139 Ų139139 Ų13973%0.72875%0.75SS**  trans25.8130.5152.9-73.8156.9000122.5
710L35.2Very low30.8Very low146 Ų146140.7 Ų140.776%0.76475%0.752SS**  -173.7125.3113.3-99.2170.6000114.9
711K31Very low30.9Very low180 Ų180139.8 Ų139.878%0.78374%0.743SS**  trans27.6118.2151-60.5173.1-171.5175.50121
712S31.9Very low31.1Very low109 Ų109140.6 Ų140.676%0.76275%0.747SS**  156.5137.192.555.60000115.6
713N33.1Very low31.1Very low166 Ų166143.9 Ų143.989%0.88875%0.751SS**  trans53.6152.8151.6-61.4-0.1000123
714Q30.7Very low31Very low160 Ų160148 Ų14875%0.74876%0.759SS**  trans-85.1174.9-178.7-56175.2-28.600111.8L716Q714-L716 VanDerWaalsContact OE1-CD1 3.3Å
715P32.9Very low31Very low124 Ų124147.3 Ų147.381%0.80577%0.765SS**  -131.4160.986.337.9-29.7000114.9
716L27.5Very low31Very low121 Ų121147.3 Ų147.363%0.63477%0.77SS**  trans-78.8154.4166-61.590.6000110.4Q714Q714-L716 VanDerWaalsContact OE1-CD1 3.3Å
717I35.1Very low31Very low165 Ų165145.7 Ų145.785%0.84677%0.772SS**  trans-125.8110.4158.5-61.7-179.1000107.9
718N30.2Very low31Very low107 Ų107149.9 Ų149.957%0.57278%0.78SS**  trans-80.9145.5173.9-68.4-25.3000110.3F720N718-F720 PolarHBondContact O-N 2.72Å
719P32Very low30.9Very low126 Ų126149.1 Ų149.182%0.81878%0.783SS**  trans-71.9110164.330.2-31.4000109.3
720F31.8Very low31Very low193 Ų193150 Ų15085%0.84679%0.789SS**  trans-72.2138.1174.5-98.1-92.4000111.3N718N718-F720 PolarHBondContact O-N 2.72Å
721P31Very low30.7Very low104 Ų104151.6 Ų151.668%0.67579%0.792SS**  trans-79.2135.6174.831.9-33.4000111.2Q723P721-Q723 PolarHBondContact O-N 2.74Å
722L30.6Very low30.7Very low177 Ų177151 Ų15193%0.92780%0.798SS**  trans-76.5104.6165.2-79.1170.3000109.2
723Q30.3Very low30.5Very low174 Ų174155 Ų15581%0.81381%0.805SS**  trans-89.9122.4178.9-167.9167.85.600110.3P721P721-Q723 PolarHBondContact O-N 2.74Å
724F25.7Very low30.5Very low205 Ų205155.3 Ų155.390%0.89981%0.805SS**  trans-64.5137.8174.3-83.4-109.5000110.9
725V31.7Very low30.4Very low138 Ų138151.1 Ų151.184%0.83680%0.804SS**  trans-122.2131.1164-179.90000107.9
726N29.8Very low30.3Very low154 Ų154153.5 Ų153.582%0.82481%0.809SS**  trans-79.9152.4-170.7-118.8-14.4000112.2
727P31.4Very low30.3Very low110 Ų110154.6 Ų154.671%0.71482%0.816SS**  trans-86.6150.4-175.135-34.5000113
728R28.9Very low30Very low236 Ų236152 Ų15289%0.89181%0.812SS**  trans-165.4141.4156-118.3172.2-173.9176.51.8111.8
729S28.8Very low30Very low97 Ų97154.9 Ų154.968%0.67883%0.826SS**  trans43.4111.5152.357.90000117.2
730N30.9Very low29.9Very low159 Ų159154 Ų15485%0.8582%0.82SS**  -147.4164.751.2-79.7-30.9000114.4
731E28.8Very low29.7Very low178 Ų178153.4 Ų153.483%0.83281%0.813SS**  trans-76.9148.1172.8-61.9152.1139.700111.7
732N31.8Very low29.6Very low169 Ų169158.5 Ų158.590%0.90483%0.825SS**  trans-173.3127.2133.9-94.8-29.3000109
733E28.2Very low29.6Very low193 Ų193158.4 Ų158.490%0.90282%0.82SS**  trans-84.9138.4-176.8-61.4-179.2110.500112.3
734I33.1Very low29.3Very low172 Ų172156.6 Ų156.688%0.88283%0.825SS**  trans-132.8103.1149.5-58.9-177.4000106.9
735G27.1Very low29.6Very low71 Ų71155.3 Ų155.373%0.73281%0.814SS**  trans-80.9129.2-176.600000112.9
736L31.9Very low29.5Very low174 Ų174158.5 Ų158.591%0.91181%0.811SS**  trans-107.6108.3169.8-100.2164.4000110.4
737N28.1Very low29.8Very low145 Ų145160.2 Ų160.278%0.77581%0.807SS**  trans-76.2165.2176.9-88.4-51.5000112.6
738S28.4Very low29.9Very low111 Ų111160.5 Ų160.578%0.77681%0.809SS**  trans56.584.8160.151.40000117.6P740S738-P740 WeakPolarHBondContact O-CD 3.24Å
739I29Very low29.9Very low167 Ų167161.1 Ų161.186%0.85681%0.811SS**  trans-89.2112152.5-59.1176.9000108.1
740P29.8Very low30Very low106 Ų106163.4 Ų163.469%0.68881%0.814SS**PPolyproline II helixtrans-74155.2174.230.6-34.1000111.8S738 F742S738-P740 WeakPolarHBondContact O-CD 3.24Å; P740-F742 PolarHBondContact O-N 3.16Å
741Y29.4Very low29.9Very low181 Ų181164.5 Ų164.571%0.7181%0.814SS**PPolyproline II helixtrans-64.5127.1177.1-95.3-110.3000111.4K107 Q743K107-Y741 PolarHBondContact NZ-OH 3.42Å; Y741-Q743 PolarHBondContact O-N 3.2Å
742F28.1Very low29.9Very low211 Ų211165.7 Ų165.793%0.92582%0.82SS**PPolyproline II helixtrans-64.8122.3166.7-102.5-95.4000110.5P740P740-F742 PolarHBondContact O-N 3.16Å
743Q30.2Very low29.8Very low176 Ų176166.6 Ų166.682%0.82282%0.819SS**  trans-118.3126.3174.8-177.2171.6-28.400108.4Y741 R745Y741-Q743 PolarHBondContact O-N 3.2Å; Q743-R745 PolarHBondContact O-N 3.38Å; Q743-R745 VanDerWaalsContact O-N 3.11Å
744C25Very low29.9Very low135 Ų135164 Ų16491%0.91281%0.806SS**  trans-68108.5-170.9-55.90000112.5
745R31.4Very low29.7Very low179 Ų179163.5 Ų163.568%0.67580%0.8SS**  trans-91.4128.8152.6-87.1-173168.6-173.5-3.4108.5E60 Q743E60-R745 IonicContact OE1-NH2 2.97Å; E60-R745 PolarHBondContact OE1-NH2 3.39Å; E60-R745 IonicContact OE2-NH2 3.48Å; Q743-R745 PolarHBondContact O-N 3.38Å; Q743-R745 VanDerWaalsContact O-N 3.11Å
746R30.2Very low29.9Very low205 Ų205169.1 Ų169.177%0.77481%0.81SS**  trans-73.4136.4165.3-80.3175.9159.5-157.5-9.7108.7E34E34-R746 IonicContact OE1-CZ 2.69Å; E34-R746 VanDerWaalsContact OE1-CZ 3.24Å; E34-R746 IonicContact OE1-NH1 3.72Å; E34-R746 PolarHBondContact OE1-NH1 2.72Å; E34-R746 IonicContact OE1-NH2 2.71Å; E34-R746 PolarHBondContact OE1-NH2 3.43Å
747Y34.4Very low29.9Very low190 Ų190170.3 Ų170.375%0.74581%0.808SS**  trans-141.6147.9156.7-92-90.1000107.8
748P33.7Very low29.9Very low115 Ų115167.4 Ų167.475%0.74780%0.795SS**  trans-69.4149.4-179.129-35000111.7I750P748-I750 PolarHBondContact O-N 2.69Å
749R29.2Very low30Very low249 Ų249169.7 Ų169.794%0.9480%0.799SS**  trans-78.9111.7179.4-69.1-177.8-178.7173.30.6111.5
750I30.9Very low30.3Very low145 Ų145170.4 Ų170.474%0.74480%0.799SS**  trans-136.2136.3153.9-52-178.8000107.5P748P748-I750 PolarHBondContact O-N 2.69Å
751H29.3Very low30.4Very low183 Ų183173 Ų17385%0.84780%0.804SS**  trans54.695.2-178.2-68.8-63.9000117.9
752Q29Very low30.6Very low202 Ų202170.9 Ų170.994%0.94480%0.804SS**  trans-149.574.5148-132.5179.519.700111.7
753E29.6Very low30.8Very low189 Ų189166.8 Ų166.888%0.88379%0.792SS**  trans-122.3165162.6-71.7-165.4124.700109.3
754Q29.7Very low30.9Very low137 Ų137169 Ų16964%0.6479%0.794SS**  trans68.966.4177.6-50.7-174.64.600117.6V481V481-Q754 HydrophobicContact CG2-CG 4.4Å
755Q29.4Very low31.2Very low162 Ų162166.4 Ų166.476%0.75779%0.791SS**  trans-154.651.6152.7-127.8163.285.700115.1
756M30.4Very low31.1Very low189 Ų189167.1 Ų167.193%0.93180%0.802SS**  trans-146.969.3167.1-73.3-167.7-175.700111.3
757K32Very low31.2Very low199 Ų199167.1 Ų167.187%0.86581%0.81SS**  trans-166.372.8170.2-121.7180-175.2-172.90114.4
758T29.4Very low30.9Very low85 Ų85163.4 Ų163.452%0.52181%0.813SS.*  trans-152.9120.9164.7250000108.9
759N30.2Very low30.9Very low158 Ų158164.8 Ų164.885%0.84582%0.819SS**  trans143.479.1161.2-78.4-5.7000111.5
760E34.2Very low30.9Very low183 Ų183159.7 Ų159.786%0.85581%0.81SS**  trans171.1127.9144-100170.9-179.100109.4
761M33.3Very low31Very low161 Ų161162.3 Ų162.379%0.79382%0.816SS**  trans65.2140.6166.5-56176.276.900116.3
762D33.7Very low31.1Very low136 Ų136158.6 Ų158.673%0.72780%0.803SS**  cis-151165.2-2.6-111.9-19.9000113.7
763N31Very low31.1Very low125 Ų125157.2 Ų157.267%0.66879%0.794SS**  trans-38.7160.7175.5-144.4-6.9000120.1
764Y33Very low31Very low221 Ų221156.4 Ų156.487%0.86779%0.79SS**  trans76.8129.2166.3-68.5-78.8000122.4
765G31.3Very low31Very low81 Ų81159.9 Ų159.984%0.83580%0.798SS**  trans125.1104.5138.200000117.3
766E29.9Very low30.9Very low195 Ų195161 Ų16191%0.91181%0.806SS**  trans-85.2142.3165.5-62169.7113.800110.9
767E32.5Very low30.9Very low204 Ų204159.1 Ų159.195%0.95380%0.8SS**  -171150115.8-107.8-174.616500111.3
768S27.9Very low30.7Very low113 Ų113158.3 Ų158.379%0.7980%0.796SS**  trans-115.9134-173.659.10000112.4
769V33.3Very low30.8Very low144 Ų144166 Ų16687%0.87382%0.816SS**  trans-134.7123.8157.2-176.40000108.9
770D29.4Very low30.9Very low142 Ų142168 Ų16876%0.75982%0.819SS**  trans-95.4146.4176.3-173.412.6000109.9
771F32.3Very low30.5Very low200 Ų200166 Ų16688%0.87782%0.815SS**  trans-152.5143.3166.7-125.2-80.3000113.3
772D31.7Very low30.5Very low105 Ų105163.6 Ų163.656%0.56181%0.811SS**  trans-93.3158.2-145.6-140.7-4.5000115.6
773K28.2Very low30.2Very low173 Ų173166.6 Ų166.675%0.75281%0.813SS**  trans21.3127.2152.4-65.1156.3-171.677.80119.8
774E29Very low30.1Very low172 Ų172171.4 Ų171.480%0.80482%0.824SS**  -167.5179.5109.4-161.4155.6-139.500111.3
775Y29.9Very low29.9Very low209 Ų209166.9 Ų166.982%0.8282%0.823SS**  trans76.152170.9-73.6-86.5000119.9N777Y775-N777 PolarHBondContact O-N 3.36Å
776M27Very low29.8Very low187 Ų187170.4 Ų170.492%0.92182%0.818SS**  trans-76.898.1150.2-91.3-76.3-170.300111.6
777N28.7Very low29.9Very low148 Ų148167.3 Ų167.379%0.79181%0.807SS**  trans-168.3154.9146.9-124.8-66.8000116.5Y775Y775-N777 PolarHBondContact O-N 3.36Å
778K29.4Very low29.9Very low182 Ų182164.1 Ų164.179%0.79180%0.797SS**  trans62.795.7168.8-59.6177.7-178.2176.30118.6
779R30.1Very low29.9Very low248 Ų248165.3 Ų165.394%0.93679%0.793SS**  -165.4166.4100.3-96.4168-156.3-136.95.7110.2
780H32.3Very low29.8Very low198 Ų198166.1 Ų166.192%0.91779%0.792SS**  trans-101158.3-166.2-76.1-16.3000115
781N27.2Very low29.7Very low142 Ų142166 Ų16676%0.75979%0.79SS**  trans-108.6136.3173.8179.728.3000109.3
782P32.3Very low29.8Very low110 Ų110163.2 Ų163.271%0.71479%0.79SS**  trans-109.695.7-179.436.6-27.6000113.7
783Y28.6Very low29.8Very low199 Ų199164.5 Ų164.578%0.7880%0.797SS**  trans-150.5139.8159.4-90.5-79000109.5
784Y28Very low29.9Very low226 Ų226163.2 Ų163.289%0.88680%0.798SS**  trans65.7152.8-168.9-56.3-87000113.1
785C29.9Very low30.3Very low126 Ų126161.1 Ų161.185%0.85180%0.796SS**  cis-147.5-162.527.4-151.80000114.1
786H29.4Very low30.3Very low156 Ų156156.1 Ų156.172%0.72279%0.792SS**  trans-94.5161.3-172.9-111.3-105.3000114.7
787D30.6Very low30.6Very low130 Ų130151.8 Ų151.870%0.69578%0.78SS**  trans67.5155.2144.3-57.8-22.7000125.3
788D32.5Very low31Very low137 Ų137150.4 Ų150.473%0.73378%0.777SS**  trans75.296.1157.2-68.7-15.2000124.8
789I29Very low31.2Very low137 Ų137148.4 Ų148.470%0.70378%0.775SS**  47.6113.8118.5-55.2162.2000119.2
790L31.4Very low31.5Very low162 Ų162143.8 Ų143.885%0.84877%0.769SS**  -167.6164.8111.1-122.3124.7000113.6
791L27.3Very low31.6Very low138 Ų138140.1 Ų140.172%0.72375%0.752SS**  trans-96145.3-176.3-51.993.7000113.8
792T34.4Very low32Very low143 Ų143140.8 Ų140.888%0.87775%0.754SS**  trans-149143139.140.30000109.9
793N30.6Very low31.9Very low132 Ų132141.4 Ų141.471%0.70675%0.745SS**  trans-96.9176.9178.4-65.4-19000112.8
794D31.1Very low32Very low146 Ų146140.6 Ų140.678%0.78175%0.746SS**  trans95.8145.3138-70-43.4000122
795V36.1Very low32Very low127 Ų127135.2 Ų135.277%0.7774%0.742SS**  trans74.790.2165.9-173.40000119
796S30.2Very low32.2Very low104 Ų104134 Ų13473%0.72774%0.735SS**  38.8151.411195.60000120.7
797S32.9Very low32.3Very low96 Ų96133.7 Ų133.767%0.67174%0.738SS**  cis-175170.916.2530000111.8
798V37.2Very low32.4Very low119 Ų119132.2 Ų132.272%0.72174%0.738SS**  trans70.1126.6147.41570000117
799D35.4Very low32.2Very low141 Ų141130.5 Ų130.575%0.75474%0.737SS**  cis-147.8-157.5-7.1-100.6-20.4000107.6
800D35.8Very low32.2Very low150 Ų150131 Ų13180%0.80274%0.739SS**  cis-158.9-173.421.5-168.29.7000111.1
801E33.9Very low32.1Very low122 Ų122131.9 Ų131.957%0.5774%0.737SS**  trans-73.9163.1-175.1-70.9-143.7106.400114.9K803E801-K803 IonicContact OE1-NZ 3.24Å; E801-K803 PolarHBondContact OE1-NZ 2.64Å; E801-K803 IonicContact OE2-NZ 3.76Å; E801-K803 PolarHBondContact OE2-NZ 2.66Å
802I34.7Very low32.2Very low155 Ų155132.7 Ų132.780%0.79574%0.737SS**  -145.6122.857.2-71.9167.6000114
803K31.7Very low32.1Very low123 Ų123131.5 Ų131.554%0.53573%0.729SS.*  trans14.9143.4143-61.6176.2170.563.60119.2E801E801-K803 IonicContact OE1-NZ 3.24Å; E801-K803 PolarHBondContact OE1-NZ 2.64Å; E801-K803 IonicContact OE2-NZ 3.76Å; E801-K803 PolarHBondContact OE2-NZ 2.66Å
804F30.2Very low32.2Very low182 Ų182130.3 Ų130.380%0.79873%0.73SS**  cis-154133.845.4-130.7-74.3000113.9
805S28.4Very low32.4Very low114 Ų114131.4 Ų131.480%0.79773%0.73SS**  trans-164.1127.7166178.50000111.7
806S34.7Very low32.2Very low100 Ų100133.5 Ų133.570%0.69973%0.731SS**  trans176.3168.8162.648.70000110.2
807N29.9Very low32.4Very low150 Ų150134.4 Ų134.480%0.80273%0.732SS**  178.3171-51.3-125.3-23000106.3
808S32.9Very low32.5Very low98 Ų98134.3 Ų134.369%0.68573%0.731SS**  trans5797.9159.754.70000120.9
809S28.8Very low32.3Very low102 Ų102133.5 Ų133.571%0.71373%0.727SS**  42.1143.3115.765.30000124.1
810I28.8Very low32.1Very low146 Ų146135.6 Ų135.675%0.74973%0.729SS**  trans93.7114.5148.2-76.4161.9000119.2
811F28.9Very low31.9Very low182 Ų182139 Ų13980%0.79873%0.731SS**  trans67.1152.4158.6-79.7-132.5000117.1
812E30.7Very low31.9Very low155 Ų155137.9 Ų137.972%0.72474%0.736SS**  cis-147.61465.1-150.9164.5-162.600114.3
813V31.6Very low31.8Very low117 Ų117134.7 Ų134.771%0.70973%0.733SS**  trans29.1122.7150.8175.30000121.6
814C31.8Very low31.8Very low107 Ų107134.1 Ų134.172%0.72375%0.745SS**  -164108.7108-134.60000116.3
815Q35.5Very low32.1Very low169 Ų169135.8 Ų135.879%0.7977%0.769SS**  trans48.4142.3140.4-65.2-172.8-1.500123.7
816H32.6Very low32.3Very low172 Ų172136.9 Ų136.980%0.79677%0.768SS**  cis-169.4-178.5-24.1-143.7-104.7000111.9
817V34.7Very low32.2Very low123 Ų123138.8 Ų138.875%0.74577%0.771SS**  trans80.297.8169.9-167.20000114.7
818S33.5Very low32.3Very low93 Ų93138.2 Ų138.265%0.6577%0.77SS**  79129.468.7-158.10000112.6
819T33.3Very low32.3Very low103 Ų103140.5 Ų140.563%0.63278%0.775SS**  cis-170.5154.14.38.80000111.3
820K32.6Very low32.5Very low185 Ų185142.9 Ų142.980%0.80478%0.779SS**  trans50.7140.7144.5-66166-176.4172.90118.5
821R31Very low32.8Very low222 Ų222142.7 Ų142.784%0.83878%0.781SS**  cis-172.3151.620.3-139.3179.6-177.4171.8-2.7111.6
822S33.5Very low33Very low97 Ų97139.9 Ų139.968%0.67878%0.779SS**  trans48.2108.4142.8600000123.1
823A33Very low33.2Very low89 Ų89138.8 Ų138.874%0.73678%0.784SS**  86133.1110.700000123.2
824S31.8Very low33.4Very low110 Ų110140.6 Ų140.677%0.76979%0.79SS**  trans53.1113.3150.261.20000120.2
825V37Very low33.5Very low217 Ų217143.6 Ų143.6100%1.31580%0.796SS**  -117084176.60000108

Retrieved 825 of 825 residues in 998.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).