A0A077YYD2_TRITR Loading...

NT-C2 and CH and DUF3585 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077YYD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 973 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low60.6Low144 Ų14486.8 Ų86.871%0.70945%0.453SS*.  0-41.20-74.6-176.8-85.900114.8S3 A4 V5 M545M1-S3 PolarHBondContact O-N 3.1Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 3.33Å; M1-V5 PolarHBondContact O-N 2.86Å; M1-M545 HydrophobicContact CE-CB 4.34Å; M1-M545 HydrophobicContact CE-CG 4.38Å
2A49.4Very low61Low52 Ų5289.4 Ų89.443%0.4346%0.462SS..Hα-helixtrans-39.8-50-173.800000116.7A4 V5 W6A2-A4 PolarHBondContact O-N 2.92Å; A2-V5 PolarHBondContact O-N 3Å; A2-V5 VanDerWaalsContact O-N 3.15Å; A2-W6 WeakPolarHBondContact O-CB 3.44Å; A2-W6 PolarHBondContact O-N 3.35Å
3S56.7Low61.8Low80 Ų8093.3 Ų93.356%0.55948%0.484SS*.Hα-helixtrans-57-30.8177.7172.60000114.8M1 R7M1-S3 PolarHBondContact O-N 3.1Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-R7 WeakPolarHBondContact O-CB 3.48Å; S3-R7 PolarHBondContact O-N 3.06Å; S3-R7 PolarHBondContact O-NE 3.28Å; S3-R7 PolarHBondContact O-NH2 2.73Å; S3-R7 PolarHBondContact OG-NH2 3.5Å
4A56.7Low63.4Low50 Ų5089.1 Ų89.141%0.41346%0.46SS..Hα-helixtrans-80.6-40.317700000111.4M1 A2 R7 K8M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 3.33Å; A2-A4 PolarHBondContact O-N 2.92Å; A4-R7 PolarHBondContact O-N 3.45Å; A4-K8 WeakPolarHBondContact O-CB 2.82Å; A4-K8 PolarHBondContact O-N 3.08Å
5V59.4Low65Low81 Ų8188.6 Ų88.649%0.49145%0.45SS..Hα-helixtrans-64.5-46.5175.2-179.70000110.6M1 A2 R7 K8 I9M1-V5 PolarHBondContact O-N 2.86Å; A2-V5 PolarHBondContact O-N 3Å; A2-V5 VanDerWaalsContact O-N 3.15Å; V5-R7 PolarHBondContact O-N 2.74Å; V5-K8 CarbonylContact O-C 3.5Å; V5-K8 WeakPolarHBondContact O-CA 3.5Å; V5-K8 WeakPolarHBondContact O-CB 3.48Å; V5-K8 PolarHBondContact O-N 3.46Å; V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 2.89Å
6W60.4Low66.6Low144 Ų14483.2 Ų83.255%0.54542%0.423SS..Hα-helixtrans-60.4-40.8174.3-84.6118.6000112.8A2 K8 I9 Q10A2-W6 WeakPolarHBondContact O-CB 3.44Å; A2-W6 PolarHBondContact O-N 3.35Å; W6-K8 VanDerWaalsContact C-N 3.34Å; W6-K8 PolarHBondContact O-N 3Å; W6-I9 HydrophobicContact CE3-CB 4.43Å; W6-I9 HydrophobicContact CE3-CD1 4.24Å; W6-I9 HydrophobicContact CE3-CG2 4.44Å; W6-I9 HydrophobicContact CZ3-CD1 4.47Å; W6-I9 HydrophobicContact CZ3-CG2 4.41Å; W6-I9 PolarHBondContact O-N 3.2Å; W6-Q10 WeakPolarHBondContact O-CB 3.28Å; W6-Q10 VanDerWaalsContact O-CG 3.29Å; W6-Q10 WeakPolarHBondContact O-CG 3.4Å; W6-Q10 PolarHBondContact O-N 3.19Å
7R65Low68Low54 Ų5478.4 Ų78.420%0.20440%0.398CS..Hα-helixtrans-61.1-42.4170.1-89.7176.2-77.1142.6-7.3111.8S3 A4 V5 I9 Q10 H11 M181S3-R7 WeakPolarHBondContact O-CB 3.48Å; S3-R7 PolarHBondContact O-N 3.06Å; S3-R7 PolarHBondContact O-NE 3.28Å; S3-R7 PolarHBondContact O-NH2 2.73Å; S3-R7 PolarHBondContact OG-NH2 3.5Å; A4-R7 PolarHBondContact O-N 3.45Å; V5-R7 PolarHBondContact O-N 2.74Å; R7-I9 VanDerWaalsContact C-N 3.27Å; R7-I9 PolarHBondContact O-N 3.32Å; R7-Q10 PolarHBondContact O-N 3.28Å; R7-H11 PolarHBondContact O-N 3.35Å; R7-H11 VanDerWaalsContact O-N 3.09Å; R7-H11 PolarHBondContact O-ND1 2.83Å; R7-M181 PolarHBondContact NH1-O 3.34Å
8K64.6Low69.3Low111 Ų11176.1 Ų76.148%0.48339%0.385SS..Hα-helixtrans-64.8-30177.3-167.8170.9-178.9179.40112.5A4 V5 W6 Q12 M181A4-K8 WeakPolarHBondContact O-CB 2.82Å; A4-K8 PolarHBondContact O-N 3.08Å; V5-K8 CarbonylContact O-C 3.5Å; V5-K8 WeakPolarHBondContact O-CA 3.5Å; V5-K8 WeakPolarHBondContact O-CB 3.48Å; V5-K8 PolarHBondContact O-N 3.46Å; W6-K8 VanDerWaalsContact C-N 3.34Å; W6-K8 PolarHBondContact O-N 3Å; K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.45Å; K8-Q12 PolarHBondContact O-N 3.08Å; K8-Q12 PolarHBondContact O-NE2 2.94Å; K8-M181 HydrophobicContact CB-SD 4.28Å; K8-M181 HydrophobicContact CG-CE 4.08Å; K8-M181 HydrophobicContact CG-SD 4.32Å
9I68.5Low70.4Confident84 Ų8472.3 Ų72.343%0.43137%0.366SS..Hα-helixtrans-74.6-49.7172.2-66.3164.8000110.6V5 W6 R7 H11 Q12V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 2.89Å; W6-I9 HydrophobicContact CE3-CB 4.43Å; W6-I9 HydrophobicContact CE3-CD1 4.24Å; W6-I9 HydrophobicContact CE3-CG2 4.44Å; W6-I9 HydrophobicContact CZ3-CD1 4.47Å; W6-I9 HydrophobicContact CZ3-CG2 4.41Å; W6-I9 PolarHBondContact O-N 3.2Å; R7-I9 VanDerWaalsContact C-N 3.27Å; R7-I9 PolarHBondContact O-N 3.32Å; I9-H11 PolarHBondContact O-N 3.37Å; I9-H11 VanDerWaalsContact O-N 3.12Å; I9-Q12 PolarHBondContact O-N 3.08Å
10Q68.9Low71.5Confident121 Ų12173.6 Ų73.657%0.56537%0.366SS*.Hα-helixtrans-59.7-23.8179.8-76175.1-24.100114.9W6 R7 K14W6-Q10 WeakPolarHBondContact O-CB 3.28Å; W6-Q10 VanDerWaalsContact O-CG 3.29Å; W6-Q10 WeakPolarHBondContact O-CG 3.4Å; W6-Q10 PolarHBondContact O-N 3.19Å; R7-Q10 PolarHBondContact O-N 3.28Å; Q10-K14 WeakPolarHBondContact O-CE 3.38Å
11H69.7Low72.4Confident34 Ų3470.2 Ų70.216%0.15735%0.349CS..THydrogen-bonded Turntrans-118.78.9-179.2-49.381.1000113.1R7 I9 N13 K14 Y95 A176 M181R7-H11 PolarHBondContact O-N 3.35Å; R7-H11 VanDerWaalsContact O-N 3.09Å; R7-H11 PolarHBondContact O-ND1 2.83Å; I9-H11 PolarHBondContact O-N 3.37Å; I9-H11 VanDerWaalsContact O-N 3.12Å; H11-N13 PolarHBondContact O-N 3.39Å; H11-K14 HydrophobicContact CB-CB 4.38Å; H11-K14 PolarHBondContact O-N 2.95Å; H11-Y95 HydrophobicContact CB-CD1 4.29Å; H11-Y95 HydrophobicContact CB-CE1 4.13Å; H11-Y95 AromaticContact CD2-CD1 3.54Å; H11-Y95 AromaticContact CD2-CD2 3.51Å; H11-Y95 AromaticContact CD2-CE1 3.73Å; H11-Y95 AromaticContact CD2-CE2 3.72Å; H11-Y95 AromaticContact CD2-CG 3.41Å; H11-Y95 VanDerWaalsContact CD2-CG 3.41Å; H11-Y95 AromaticContact CD2-CZ 3.81Å; H11-Y95 AromaticContact NE2-CD2 3.72Å; H11-Y95 AromaticContact NE2-CE2 3.85Å; H11-A176 HydrophobicContact CB-CB 4.26Å; H11-M181 HydrophobicContact CB-CG 4.42Å; H11-M181 HydrophobicContact CB-SD 4.02Å
12Q65.1Low74.5Confident118 Ų11864.3 Ų64.355%0.55132%0.322SS*.THydrogen-bonded Turntrans-59.2137.9162.6-101.7159.281.500108.6K8 I9 K14K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.45Å; K8-Q12 PolarHBondContact O-N 3.08Å; K8-Q12 PolarHBondContact O-NE2 2.94Å; I9-Q12 PolarHBondContact O-N 3.08Å; Q12-K14 PolarHBondContact O-N 3.49Å; Q12-K14 VanDerWaalsContact O-N 3.09Å
13N71.5Confident76.5Confident140 Ų14061.9 Ų61.975%0.74930%0.301SS*.THydrogen-bonded Turntrans60.38-173.5-54.2-21.3000116.3H11H11-N13 PolarHBondContact O-N 3.39Å
14K84.7Confident78Confident34 Ų3464 Ų6415%0.14830%0.297CS..EExtended strand (participates in β ladder)trans-89.8148.3169.3-68.7-167.9179.1-1020112.2Q10 H11 Q12 Y95 D97 D104 A176Q10-K14 WeakPolarHBondContact O-CE 3.38Å; H11-K14 HydrophobicContact CB-CB 4.38Å; H11-K14 PolarHBondContact O-N 2.95Å; Q12-K14 PolarHBondContact O-N 3.49Å; Q12-K14 VanDerWaalsContact O-N 3.09Å; K14-Y95 HydrophobicContact CB-CD1 4.44Å; K14-D97 VanDerWaalsContact CE-OD1 3.25Å; K14-D97 WeakPolarHBondContact CE-OD1 3.26Å; K14-D97 IonicContact NZ-OD1 3.74Å; K14-D97 PolarHBondContact NZ-OD1 3.11Å; K14-D104 WeakPolarHBondContact CD-OD2 3.35Å; K14-D104 WeakPolarHBondContact CE-OD2 3.33Å; K14-D104 VanDerWaalsContact NZ-CG 3.26Å; K14-D104 IonicContact NZ-OD1 2.74Å; K14-D104 PolarHBondContact NZ-OD1 2.82Å; K14-D104 IonicContact NZ-OD2 3.6Å; K14-D104 PolarHBondContact NZ-OD2 2.93Å; K14-A176 WeakPolarHBondContact O-CB 3.35Å; K14-A176 PolarHBondContact O-N 3.38Å; K14-A176 VanDerWaalsContact O-N 3.12Å
15R87.5Confident79.6Confident82 Ų8262 Ų6231%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-88.9143.9168.8-58-177.669.5-135.7-8.6108.9Y95 R96 E173 G174R15-Y95 VanDerWaalsContact O-CA 3.29Å; R15-Y95 WeakPolarHBondContact O-CA 3.46Å; R15-R96 HydrophobicContact CB-CG 4.2Å; R15-R96 PolarHBondContact N-O 3.45Å; R15-R96 PolarHBondContact O-N 3.08Å; R15-E173 IonicContact CZ-OE1 3.79Å; R15-E173 IonicContact NH1-OE1 2.71Å; R15-E173 PolarHBondContact NH1-OE1 2.81Å; R15-E173 VanDerWaalsContact NH1-OE1 3.07Å; R15-E173 VanDerWaalsContact NH2-CD 3.3Å; R15-E173 IonicContact NH2-OE1 2.59Å; R15-E173 PolarHBondContact NH2-OE1 3.1Å; R15-G174 CarbonylContact C-O 3.58Å; R15-G174 WeakPolarHBondContact CA-O 3.42Å
16A89.9Confident81Confident2 Ų260.5 Ų60.52%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-117.9132.9-18000000110.5T93 Y95 E173 G174 A176 D180A16-T93 HydrophobicContact CB-CG2 3.93Å; A16-Y95 HydrophobicContact CB-CD1 3.9Å; A16-Y95 HydrophobicContact CB-CE1 3.72Å; A16-E173 CarbonylContact O-C 3.56Å; A16-E173 WeakPolarHBondContact O-CA 3.37Å; A16-G174 PolarHBondContact N-O 2.73Å; A16-G174 PolarHBondContact O-N 2.81Å; A16-A176 HydrophobicContact CB-CB 4.26Å; A16-D180 HydrophobicContact CB-CB 4.03Å
17T91Very high82.4Confident1 Ų155.8 Ų55.81%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-126.5116.5175.6-53.80000109.4F19 T93 L94 F103 V170 K172 E173T17-F19 HydrophobicContact CG2-CD2 3.97Å; T17-F19 HydrophobicContact CG2-CE1 4.27Å; T17-F19 HydrophobicContact CG2-CE2 3.44Å; T17-F19 VanDerWaalsContact CG2-CE2 3.44Å; T17-F19 HydrophobicContact CG2-CZ 3.63Å; T17-F19 WeakPolarHBondContact O-CD2 3.47Å; T17-T93 CarbonylContact O-C 3.52Å; T17-T93 WeakPolarHBondContact O-CA 3.41Å; T17-L94 PolarHBondContact N-O 3.44Å; T17-L94 PolarHBondContact O-N 3.01Å; T17-F103 HydrophobicContact CG2-CZ 4.47Å; T17-V170 HydrophobicContact CG2-CG1 3.81Å; T17-V170 HydrophobicContact CG2-CG2 4.14Å; T17-K172 CarbonylContact C-O 3.55Å; T17-K172 WeakPolarHBondContact CA-O 3.47Å; T17-E173 HydrophobicContact CG2-CB 4.25Å; T17-E173 WeakPolarHBondContact OG1-CG 3.37Å
18K90.9Very high83.7Confident37 Ų3753.2 Ų53.216%0.16124%0.242CC..EExtended strand (participates in β ladder)trans-82.8119172.8-61.6-165.7-175.8-170.70109T93 L171 K172 D179 D180K18-T93 HydrophobicContact CG-CG2 4.15Å; K18-L171 HydrophobicContact CB-CB 4.44Å; K18-L171 WeakPolarHBondContact O-CB 3.47Å; K18-L171 PolarHBondContact O-N 3.33Å; K18-K172 HydrophobicContact CB-CB 4.32Å; K18-K172 PolarHBondContact N-O 3.21Å; K18-K172 PolarHBondContact O-N 2.67Å; K18-D179 IonicContact NZ-OD2 3.67Å; K18-D179 PolarHBondContact NZ-OD2 2.99Å; K18-D180 WeakPolarHBondContact CE-OD1 3.36Å; K18-D180 IonicContact NZ-OD1 2.69Å
19F91.4Very high85Confident4 Ų449.2 Ų49.22%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-105.4140.2174.1-66.6-93.7000111.1T17 V21 V91 T92 L94 F103 A136 C168 T169 V170T17-F19 HydrophobicContact CG2-CD2 3.97Å; T17-F19 HydrophobicContact CG2-CE1 4.27Å; T17-F19 HydrophobicContact CG2-CE2 3.44Å; T17-F19 VanDerWaalsContact CG2-CE2 3.44Å; T17-F19 HydrophobicContact CG2-CZ 3.63Å; T17-F19 WeakPolarHBondContact O-CD2 3.47Å; F19-V21 HydrophobicContact CB-CG2 4.15Å; F19-V91 WeakPolarHBondContact O-CA 3.38Å; F19-T92 HydrophobicContact CB-CG2 4.37Å; F19-T92 PolarHBondContact N-O 2.88Å; F19-T92 PolarHBondContact O-N 3.37Å; F19-L94 HydrophobicContact CD2-CB 4.25Å; F19-L94 HydrophobicContact CD2-CD1 3.96Å; F19-L94 HydrophobicContact CD2-CG 3.91Å; F19-L94 HydrophobicContact CE2-CB 3.99Å; F19-L94 HydrophobicContact CE2-CD1 3.77Å; F19-L94 HydrophobicContact CE2-CG 3.99Å; F19-F103 HydrophobicContact CE2-CE1 4.08Å; F19-F103 HydrophobicContact CE2-CE2 4.37Å; F19-F103 AromaticContact CE2-CZ 3.94Å; F19-F103 HydrophobicContact CE2-CZ 3.94Å; F19-F103 HydrophobicContact CZ-CE1 4.37Å; F19-F103 AromaticContact CZ-CE2 3.95Å; F19-F103 HydrophobicContact CZ-CE2 3.95Å; F19-F103 AromaticContact CZ-CZ 3.76Å; F19-F103 HydrophobicContact CZ-CZ 3.76Å; F19-A136 HydrophobicContact CE1-CB 4.32Å; F19-A136 WeakPolarHBondContact CE1-O 3.42Å; F19-A136 HydrophobicContact CE2-CB 4.24Å; F19-A136 HydrophobicContact CZ-CB 3.82Å; F19-C168 WeakPolarHBondContact CD1-SG 3.5Å; F19-T169 CarbonylContact C-O 3.6Å; F19-T169 VanDerWaalsContact CA-O 3.26Å; F19-T169 WeakPolarHBondContact CA-O 3.37Å; F19-V170 HydrophobicContact CD1-CG2 3.9Å; F19-V170 HydrophobicContact CE1-CG2 3.51Å; F19-V170 HydrophobicContact CZ-CG2 4.21Å
20R91Very high86.2Confident98 Ų9845.2 Ų45.237%0.3721%0.206SC..EExtended strand (participates in β ladder)trans-88.6125.6156154.6-175.3-74.5143.9-3.9107.1V22 E89 I90 T169 L171R20-V22 HydrophobicContact CG-CG2 3.93Å; R20-E89 HydrophobicContact CG-CG 4.17Å; R20-E89 IonicContact CZ-OE1 3.86Å; R20-E89 VanDerWaalsContact NE-CD 3.27Å; R20-E89 IonicContact NE-OE1 3.75Å; R20-E89 PolarHBondContact NE-OE1 2.87Å; R20-E89 IonicContact NE-OE2 3.34Å; R20-E89 PolarHBondContact NE-OE2 3.29Å; R20-E89 IonicContact NH2-OE1 3.86Å; R20-E89 PolarHBondContact NH2-OE1 3.37Å; R20-E89 VanDerWaalsContact NH2-OE1 3.08Å; R20-I90 WeakPolarHBondContact CA-O 3.44Å; R20-T169 WeakPolarHBondContact CB-OG1 3.3Å; R20-T169 WeakPolarHBondContact CG-OG1 3.42Å; R20-T169 PolarHBondContact N-O 3.07Å; R20-T169 PolarHBondContact O-N 2.95Å; R20-T169 PolarHBondContact O-OG1 2.97Å; R20-T169 VanDerWaalsContact O-OG1 3.04Å; R20-L171 HydrophobicContact CB-CD1 3.92Å; R20-L171 HydrophobicContact CB-CD2 3.85Å; R20-L171 HydrophobicContact CB-CG 3.87Å
21V92.2Very high87.2Confident3 Ų342.1 Ų42.12%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-122.6132.2176.3-162.70000108.6F19 W45 E89 I90 T92 L166 G167F19-V21 HydrophobicContact CB-CG2 4.15Å; V21-W45 HydrophobicContact CB-CH2 4.1Å; V21-W45 HydrophobicContact CB-CZ3 4.47Å; V21-W45 HydrophobicContact CG1-CH2 3.78Å; V21-W45 HydrophobicContact CG1-CZ3 4.46Å; V21-E89 WeakPolarHBondContact O-CA 3.34Å; V21-I90 HydrophobicContact CB-CD1 4.34Å; V21-I90 HydrophobicContact CB-CG1 3.91Å; V21-I90 HydrophobicContact CG2-CG1 4.44Å; V21-I90 PolarHBondContact N-O 3.07Å; V21-I90 PolarHBondContact O-N 3.46Å; V21-T92 HydrophobicContact CG2-CG2 3.75Å; V21-L166 HydrophobicContact CG1-CD1 3.84Å; V21-L166 HydrophobicContact CG1-CD2 4.21Å; V21-L166 HydrophobicContact CG1-CG 3.92Å; V21-G167 WeakPolarHBondContact CA-O 3.29Å; V21-G167 WeakPolarHBondContact CG1-O 3.34Å
22V90.6Very high88.2Confident21 Ų2140.5 Ų40.513%0.12718%0.184CC..EExtended strand (participates in β ladder)trans-125.3116.3-171.7-1790000108.9R20 E89 G167R20-V22 HydrophobicContact CG-CG2 3.93Å; V22-E89 HydrophobicContact CG2-CB 4.37Å; V22-E89 HydrophobicContact CG2-CG 4.2Å; V22-G167 PolarHBondContact N-O 2.86Å; V22-G167 PolarHBondContact O-N 3.18Å
23A91.7Very high89.2Confident0 Ų035.7 Ų35.70%016%0.164CC..EExtended strand (participates in β ladder)trans-99.7124.8173.400000110.3F25 W45 S87 L88 F110 L164 L166A23-F25 HydrophobicContact CB-CE1 4.47Å; A23-W45 HydrophobicContact CB-CZ3 4.28Å; A23-S87 CarbonylContact O-C 3.53Å; A23-S87 VanDerWaalsContact O-CA 3.24Å; A23-S87 WeakPolarHBondContact O-CA 3.31Å; A23-L88 PolarHBondContact N-O 2.89Å; A23-L88 PolarHBondContact O-N 2.99Å; A23-F110 HydrophobicContact CB-CE1 4.23Å; A23-F110 HydrophobicContact CB-CZ 3.85Å; A23-L164 HydrophobicContact CB-CD1 4.41Å; A23-L166 HydrophobicContact CB-CD1 3.95Å
24R88.6Confident89.7Confident124 Ų12433.3 Ų33.347%0.46816%0.156SC..EExtended strand (participates in β ladder)trans-110.5119171-68.4179.2-175.9152.71.7108.8M143 L164 L165R24-M143 HydrophobicContact CG-CE 4.35Å; R24-M143 PolarHBondContact NH1-SD 3.09Å; R24-L164 CarbonylContact O-C 3.54Å; R24-L164 WeakPolarHBondContact O-CA 3.31Å; R24-L164 VanDerWaalsContact O-CB 3.29Å; R24-L164 WeakPolarHBondContact O-CB 3.23Å; R24-L165 HydrophobicContact CB-CB 4.41Å; R24-L165 PolarHBondContact N-O 3.15Å; R24-L165 PolarHBondContact O-N 3.08Å
25F90Very high89.7Confident10 Ų1041.5 Ų41.54%0.04419%0.191CC..EExtended strand (participates in β ladder)trans-77.4153.8-179.3-51.9-63.2000111.2A23 V43 W80 L88 F110 L162 L164A23-F25 HydrophobicContact CB-CE1 4.47Å; F25-V43 HydrophobicContact CE1-CB 4.32Å; F25-V43 HydrophobicContact CE1-CG1 3.7Å; F25-V43 HydrophobicContact CE2-CB 4.27Å; F25-V43 HydrophobicContact CE2-CG1 4.41Å; F25-V43 HydrophobicContact CZ-CB 3.99Å; F25-V43 HydrophobicContact CZ-CG1 3.64Å; F25-W80 HydrophobicContact CB-CD2 3.47Å; F25-W80 VanDerWaalsContact CB-CD2 3.47Å; F25-W80 HydrophobicContact CB-CE3 3.54Å; F25-W80 HydrophobicContact CB-CG 3.97Å; F25-W80 HydrophobicContact CB-CH2 4.05Å; F25-W80 HydrophobicContact CB-CZ2 4Å; F25-W80 HydrophobicContact CB-CZ3 3.82Å; F25-W80 HydrophobicContact CD2-CZ2 4.31Å; F25-W80 HydrophobicContact CG-CH2 4.46Å; F25-W80 HydrophobicContact CG-CZ2 4.29Å; F25-W80 WeakPolarHBondContact O-CB 3.45Å; F25-L88 HydrophobicContact CE2-CB 4.06Å; F25-L88 HydrophobicContact CE2-CD1 4.32Å; F25-L88 HydrophobicContact CZ-CB 4.05Å; F25-L88 HydrophobicContact CZ-CD1 4Å; F25-F110 HydrophobicContact CE1-CD1 4.4Å; F25-F110 AromaticContact CE1-CE1 3.98Å; F25-F110 HydrophobicContact CE1-CE1 3.98Å; F25-F110 HydrophobicContact CZ-CE1 4.24Å; F25-L162 HydrophobicContact CD1-CD1 4.01Å; F25-L162 HydrophobicContact CD1-CD2 4.3Å; F25-L162 HydrophobicContact CD1-CG 4.47Å; F25-L162 HydrophobicContact CE1-CD2 4.22Å; F25-L164 HydrophobicContact CD1-CB 4.01Å; F25-L164 HydrophobicContact CD1-CD2 4.15Å; F25-L164 HydrophobicContact CE1-CD2 4.06Å
26I88.5Confident89.7Confident49 Ų4939.2 Ų39.225%0.25118%0.183SC..EExtended strand (participates in β ladder)trans-131-56.1-178.6-66.6165.6000110.5L79 W80 M145 E163 L165I26-L79 WeakPolarHBondContact O-CA 3.37Å; I26-W80 PolarHBondContact O-N 3.05Å; I26-M145 HydrophobicContact CD1-CE 3.64Å; I26-M145 HydrophobicContact CD1-SD 3.49Å; I26-M145 WeakPolarHBondContact CD1-SD 3.47Å; I26-E163 PolarHBondContact N-O 2.97Å; I26-L165 HydrophobicContact CD1-CD1 3.94Å; I26-L165 HydrophobicContact CD1-CG 3.79Å
27E90Very high89.4Confident44 Ų4443.3 Ų43.321%0.20620%0.202CC..EExtended strand (participates in β ladder)trans-137.2136.6-178.1-178.6-172.6-129.700110.1V29 I77 I78 L79 K147 L162 E163E27-V29 VanDerWaalsContact CD-CG2 3.49Å; E27-V29 HydrophobicContact CG-CG2 3.76Å; E27-I77 HydrophobicContact CG-CG2 4.05Å; E27-I78 CarbonylContact C-O 3.59Å; E27-I78 WeakPolarHBondContact CA-O 3.38Å; E27-L79 HydrophobicContact CB-CD2 3.92Å; E27-L79 HydrophobicContact CG-CD2 3.86Å; E27-K147 IonicContact OE2-NZ 3.37Å; E27-K147 PolarHBondContact OE2-NZ 3.34Å; E27-L162 CarbonylContact O-C 3.48Å; E27-L162 WeakPolarHBondContact O-CA 3.46Å; E27-E163 HydrophobicContact CB-CB 4.08Å; E27-E163 PolarHBondContact N-O 3.31Å; E27-E163 PolarHBondContact O-N 2.87Å
28L92Very high89.1Confident0 Ų043.4 Ų43.40%020%0.202CC..EExtended strand (participates in β ladder)trans-128.7108.6167.816957000109.1I30 V41 V43 I78 W80 V112 T161 L162L28-I30 HydrophobicContact CD1-CD1 4.11Å; L28-I30 HydrophobicContact CD1-CG1 3.83Å; L28-I30 HydrophobicContact CD2-CD1 3.99Å; L28-I30 HydrophobicContact CG-CD1 3.87Å; L28-I30 HydrophobicContact CG-CG1 3.95Å; L28-V41 HydrophobicContact CD2-CG2 4.31Å; L28-V43 HydrophobicContact CD2-CG2 4.06Å; L28-I78 HydrophobicContact CB-CB 4.2Å; L28-I78 HydrophobicContact CD2-CD1 4.17Å; L28-I78 HydrophobicContact CG-CD1 4.38Å; L28-I78 PolarHBondContact N-O 3.11Å; L28-I78 PolarHBondContact O-N 3.09Å; L28-W80 HydrophobicContact CB-CH2 3.69Å; L28-W80 HydrophobicContact CB-CZ3 3.48Å; L28-W80 VanDerWaalsContact CB-CZ3 3.48Å; L28-W80 HydrophobicContact CD2-CH2 3.95Å; L28-V112 HydrophobicContact CD1-CG2 4.06Å; L28-V112 HydrophobicContact CD2-CG1 4.08Å; L28-V112 HydrophobicContact CD2-CG2 4.33Å; L28-T161 WeakPolarHBondContact CA-O 3.24Å; L28-L162 HydrophobicContact CB-CD1 4Å; L28-L162 HydrophobicContact CD1-CB 4.41Å; L28-L162 HydrophobicContact CD1-CD1 4.31Å
29V92.1Very high88.6Confident28 Ų2844.7 Ų44.717%0.1722%0.22CC..EExtended strand (participates in β ladder)trans-96127.5176.4-172.70000109E27 C75 I77 C160 T161E27-V29 VanDerWaalsContact CD-CG2 3.49Å; E27-V29 HydrophobicContact CG-CG2 3.76Å; V29-C75 VanDerWaalsContact CG1-SG 3.56Å; V29-I77 HydrophobicContact CG1-CG1 4.41Å; V29-I77 HydrophobicContact CG2-CG1 4.46Å; V29-I77 HydrophobicContact CG2-CG2 4.46Å; V29-C160 CarbonylContact O-C 3.57Å; V29-C160 VanDerWaalsContact O-CA 3.31Å; V29-C160 WeakPolarHBondContact O-CA 3.46Å; V29-T161 PolarHBondContact N-O 3.15Å; V29-T161 PolarHBondContact O-N 2.91Å
30I92.9Very high88.3Confident0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-130.8107.7-178.2-65.7173000109.1L28 P38 V41 W66 C75 G76 I78 V112 L157L28-I30 HydrophobicContact CD1-CD1 4.11Å; L28-I30 HydrophobicContact CD1-CG1 3.83Å; L28-I30 HydrophobicContact CD2-CD1 3.99Å; L28-I30 HydrophobicContact CG-CD1 3.87Å; L28-I30 HydrophobicContact CG-CG1 3.95Å; I30-P38 HydrophobicContact CG2-CG 4.42Å; I30-V41 HydrophobicContact CD1-CG1 4.12Å; I30-V41 HydrophobicContact CD1-CG2 4Å; I30-W66 PolarHBondContact O-NE1 3.49Å; I30-C75 WeakPolarHBondContact O-CA 3.11Å; I30-G76 PolarHBondContact N-O 2.98Å; I30-G76 PolarHBondContact O-N 3.05Å; I30-I78 HydrophobicContact CD1-CD1 4.38Å; I30-V112 HydrophobicContact CD1-CG1 4.18Å; I30-L157 HydrophobicContact CG2-CD1 3.69Å
31E90.8Very high88.2Confident55 Ų5540.5 Ų40.526%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-102.3114.1179.1-169.4168.3-146.900110.4N72 C75 L157 Q158 K159E31-N72 PolarHBondContact OE1-ND2 3.49Å; E31-C75 HydrophobicContact CB-CB 4.45Å; E31-C75 HydrophobicContact CG-CB 4.3Å; E31-L157 WeakPolarHBondContact O-CD1 3.3Å; E31-Q158 HydrophobicContact CG-CB 4.34Å; E31-Q158 PolarHBondContact O-N 2.82Å; E31-K159 HydrophobicContact CB-CB 3.98Å; E31-K159 PolarHBondContact N-O 3.03Å; E31-K159 PolarHBondContact O-N 2.85Å; E31-K159 VanDerWaalsContact O-N 3.16Å
32C89.7Confident88.1Confident0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-103.6167.5-170.4-59.30000112.2W36 Q37 P38 Y74C32-W36 HydrophobicContact CB-CE3 4.38Å; C32-W36 HydrophobicContact CB-CZ3 4.47Å; C32-W36 VanDerWaalsContact CB-O 3.31Å; C32-W36 WeakPolarHBondContact CB-O 3.46Å; C32-Q37 HydrophobicContact CB-CG 4.35Å; C32-P38 VanDerWaalsContact SG-CD 3.52Å; C32-Y74 WeakPolarHBondContact CB-O 3.38Å; C32-Y74 PolarHBondContact N-O 2.95Å; C32-Y74 WeakPolarHBondContact O-CB 3.31Å
33S86.5Confident88.1Confident18 Ų1839.4 Ų39.413%0.12620%0.2CC..  trans-80.1157.2167.176.40000111.9K35 W36 S156S33-K35 PolarHBondContact O-N 2.93Å; S33-K35 PolarHBondContact OG-N 2.85Å; S33-W36 PolarHBondContact O-N 2.86Å; S33-S156 WeakPolarHBondContact CB-O 3.32Å; S33-S156 PolarHBondContact N-O 3.37Å; S33-S156 WeakPolarHBondContact OG-CB 3.27Å; S33-S156 PolarHBondContact OG-O 3.2Å
34P82.5Confident88.1Confident89 Ų8939.4 Ų39.458%0.57820%0.2SC*.THydrogen-bonded Turntrans-61.1-4.5171.4-24.934.8000116.3Y74P34-Y74 HydrophobicContact CB-CD1 4.31Å; P34-Y74 HydrophobicContact CB-CE1 3.73Å; P34-Y74 HydrophobicContact CB-CE2 4.35Å; P34-Y74 HydrophobicContact CG-CD1 4.35Å; P34-Y74 HydrophobicContact CG-CD2 4.2Å; P34-Y74 HydrophobicContact CG-CE1 4.05Å; P34-Y74 HydrophobicContact CG-CE2 3.87Å; P34-Y74 HydrophobicContact CG-CG 4.42Å
35K83.3Confident88.3Confident206 Ų20633.5 Ų33.590%0.89618%0.178SC*.THydrogen-bonded Turntrans-102.1-9.5-177.6-64.8-177.4177.6-179.30114.2S33S33-K35 PolarHBondContact O-N 2.93Å; S33-K35 PolarHBondContact OG-N 2.85Å
36W88.5Confident88.4Confident35 Ų3535.1 Ų35.113%0.13319%0.187CC..  trans-161.9138.9-179.716277.3000110.2C32 S33 P38 E114 I125 R154 L157C32-W36 HydrophobicContact CB-CE3 4.38Å; C32-W36 HydrophobicContact CB-CZ3 4.47Å; C32-W36 VanDerWaalsContact CB-O 3.31Å; C32-W36 WeakPolarHBondContact CB-O 3.46Å; S33-W36 PolarHBondContact O-N 2.86Å; W36-P38 HydrophobicContact CH2-CB 4.31Å; W36-P38 HydrophobicContact CH2-CG 4.2Å; W36-P38 HydrophobicContact CZ2-CB 3.75Å; W36-P38 HydrophobicContact CZ2-CG 4.09Å; W36-E114 WeakPolarHBondContact CZ2-OE1 3.32Å; W36-E114 PolarHBondContact NE1-OE1 3.4Å; W36-I125 HydrophobicContact CH2-CB 4.37Å; W36-I125 HydrophobicContact CH2-CD1 4.1Å; W36-I125 HydrophobicContact CH2-CG2 4.02Å; W36-I125 HydrophobicContact CZ2-CG2 4.08Å; W36-R154 VanDerWaalsContact NE1-CZ 3.26Å; W36-L157 HydrophobicContact CZ3-CB 4.06Å; W36-L157 HydrophobicContact CZ3-CD1 4.27Å
37Q83.4Confident88.5Confident88 Ų8833.7 Ų33.741%0.41118%0.179SC..  trans-129.8142.9165.6-66.6160.5-27.700106.7C32 W66 P73C32-Q37 HydrophobicContact CB-CG 4.35Å; Q37-W66 HydrophobicContact CB-CE3 3.99Å; Q37-W66 HydrophobicContact CB-CH2 3.98Å; Q37-W66 HydrophobicContact CB-CZ3 3.64Å; Q37-W66 VanDerWaalsContact CD-CZ3 3.45Å; Q37-W66 HydrophobicContact CG-CE3 4.43Å; Q37-W66 HydrophobicContact CG-CH2 3.52Å; Q37-W66 HydrophobicContact CG-CZ2 4.27Å; Q37-W66 HydrophobicContact CG-CZ3 3.6Å; Q37-P73 PolarHBondContact NE2-O 2.61Å
38P85.8Confident88.3Confident3 Ų341.3 Ų41.32%0.01921%0.206CC..  trans-68.2143.9168.829.5-31.2000108.9I30 C32 W36 V41 W66 E114I30-P38 HydrophobicContact CG2-CG 4.42Å; C32-P38 VanDerWaalsContact SG-CD 3.52Å; W36-P38 HydrophobicContact CH2-CB 4.31Å; W36-P38 HydrophobicContact CH2-CG 4.2Å; W36-P38 HydrophobicContact CZ2-CB 3.75Å; W36-P38 HydrophobicContact CZ2-CG 4.09Å; P38-V41 HydrophobicContact CB-CG1 3.77Å; P38-V41 HydrophobicContact CG-CG1 3.96Å; P38-W66 HydrophobicContact CG-CB 4.06Å; P38-W66 HydrophobicContact CG-CD2 4.23Å; P38-W66 HydrophobicContact CG-CG 3.76Å; P38-W66 WeakPolarHBondContact O-CB 3.24Å; P38-E114 HydrophobicContact CB-CG 4.26Å
39A80Confident87.6Confident64 Ų6450.6 Ų50.653%0.52925%0.246SC..SBendtrans-76-34.816900000111.5W66A39-W66 PolarHBondContact O-N 3.08Å; A39-W66 VanDerWaalsContact O-N 3.15Å
40A84.9Confident87.2Confident13 Ų1351.4 Ų51.411%0.10725%0.246CC..EExtended strand (participates in β ladder)trans-157.5137.1-162.200000109.5V63 C64 E114 V115A40-V63 HydrophobicContact CB-CG1 3.38Å; A40-C64 WeakPolarHBondContact CA-O 3.31Å; A40-E114 WeakPolarHBondContact O-CA 3.43Å; A40-V115 HydrophobicContact CB-CB 4.14Å; A40-V115 PolarHBondContact O-N 2.96Å
41V88.9Confident86.9Confident0 Ų056.9 Ų56.90%027%0.267CS..EExtended strand (participates in β ladder)trans-137.3156179.8-59.60000112.8L28 I30 P38 C64 I78 V112 E113 I125L28-V41 HydrophobicContact CD2-CG2 4.31Å; I30-V41 HydrophobicContact CD1-CG1 4.12Å; I30-V41 HydrophobicContact CD1-CG2 4Å; P38-V41 HydrophobicContact CB-CG1 3.77Å; P38-V41 HydrophobicContact CG-CG1 3.96Å; V41-C64 HydrophobicContact CG2-CB 4.01Å; V41-C64 PolarHBondContact N-O 3.38Å; V41-C64 WeakPolarHBondContact O-CB 3.45Å; V41-C64 PolarHBondContact O-N 3.13Å; V41-I78 HydrophobicContact CG2-CD1 3.4Å; V41-V112 HydrophobicContact CB-CG1 4.16Å; V41-V112 HydrophobicContact CG1-CG1 4.47Å; V41-E113 CarbonylContact C-O 3.5Å; V41-E113 WeakPolarHBondContact CA-O 3.38Å; V41-I125 HydrophobicContact CG1-CD1 4.01Å
42C89Confident86.7Confident1 Ų158.2 Ų58.21%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-136.7164.6168.663.60000111.4V53 V61 E113 V115C42-V53 HydrophobicContact CB-CG1 4.28Å; C42-V61 HydrophobicContact CB-CG1 3.45Å; C42-V61 VanDerWaalsContact CB-CG1 3.45Å; C42-E113 PolarHBondContact N-O 3.22Å; C42-E113 PolarHBondContact O-N 3.48Å; C42-V115 HydrophobicContact CB-CG2 4.27Å
43V90.8Very high86.4Confident1 Ų159.6 Ų59.61%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-109.8126.4176.5-173.50000110.4F25 L28 S54 W80 F110 L162F25-V43 HydrophobicContact CE1-CB 4.32Å; F25-V43 HydrophobicContact CE1-CG1 3.7Å; F25-V43 HydrophobicContact CE2-CB 4.27Å; F25-V43 HydrophobicContact CE2-CG1 4.41Å; F25-V43 HydrophobicContact CZ-CB 3.99Å; F25-V43 HydrophobicContact CZ-CG1 3.64Å; L28-V43 HydrophobicContact CD2-CG2 4.06Å; V43-S54 PolarHBondContact O-N 2.84Å; V43-S54 VanDerWaalsContact O-N 3.16Å; V43-W80 HydrophobicContact CG2-CH2 4.11Å; V43-W80 HydrophobicContact CG2-CZ2 4.31Å; V43-F110 HydrophobicContact CG1-CD1 4.12Å; V43-L162 HydrophobicContact CG1-CD2 4.05Å; V43-L162 HydrophobicContact CG2-CD1 4.43Å
44A91.4Very high85.6Confident0 Ų058.8 Ų58.80%027%0.273CS..EExtended strand (participates in β ladder)trans-114.8150.9175.600000111.6I46 Y52 V53 F110 V111 E113A44-I46 HydrophobicContact CB-CD1 4.37Å; A44-I46 HydrophobicContact CB-CG1 4.3Å; A44-Y52 CarbonylContact C-O 3.56Å; A44-Y52 WeakPolarHBondContact CA-O 3.41Å; A44-V53 HydrophobicContact CB-CG2 4.03Å; A44-F110 CarbonylContact O-C 3.47Å; A44-F110 WeakPolarHBondContact O-CA 3.47Å; A44-V111 PolarHBondContact N-O 2.94Å; A44-V111 PolarHBondContact O-N 3.48Å; A44-E113 WeakPolarHBondContact CB-OE2 3.41Å
45W93Very high84.4Confident0 Ų063 Ų630%028%0.282CS..EExtended strand (participates in β ladder)trans-123119.8173.4-154.416.3000109.7V21 A23 Y52 L88 I90 W108 F110 M132 L166V21-W45 HydrophobicContact CB-CH2 4.1Å; V21-W45 HydrophobicContact CB-CZ3 4.47Å; V21-W45 HydrophobicContact CG1-CH2 3.78Å; V21-W45 HydrophobicContact CG1-CZ3 4.46Å; A23-W45 HydrophobicContact CB-CZ3 4.28Å; W45-Y52 PolarHBondContact N-O 3.47Å; W45-Y52 PolarHBondContact O-N 3.33Å; W45-L88 HydrophobicContact CB-CD1 4.19Å; W45-L88 HydrophobicContact CB-CD2 4.01Å; W45-L88 HydrophobicContact CE3-CD2 3.87Å; W45-I90 HydrophobicContact CD2-CD1 4.11Å; W45-I90 HydrophobicContact CD2-CG2 4.32Å; W45-I90 HydrophobicContact CE3-CB 4.32Å; W45-I90 HydrophobicContact CE3-CD1 3.71Å; W45-I90 HydrophobicContact CE3-CG1 3.89Å; W45-I90 HydrophobicContact CE3-CG2 3.53Å; W45-I90 HydrophobicContact CH2-CD1 3.47Å; W45-I90 VanDerWaalsContact CH2-CD1 3.47Å; W45-I90 HydrophobicContact CH2-CG1 3.91Å; W45-I90 HydrophobicContact CZ2-CD1 3.87Å; W45-I90 HydrophobicContact CZ3-CB 4.3Å; W45-I90 HydrophobicContact CZ3-CD1 3.41Å; W45-I90 VanDerWaalsContact CZ3-CD1 3.41Å; W45-I90 HydrophobicContact CZ3-CG1 3.44Å; W45-I90 VanDerWaalsContact CZ3-CG1 3.44Å; W45-I90 HydrophobicContact CZ3-CG2 3.98Å; W45-W108 HydrophobicContact CD2-CE3 4.21Å; W45-W108 HydrophobicContact CG-CE3 4.09Å; W45-W108 HydrophobicContact CZ2-CB 4.41Å; W45-W108 VanDerWaalsContact NE1-CB 3.31Å; W45-F110 HydrophobicContact CB-CD1 4.08Å; W45-F110 HydrophobicContact CB-CE1 3.97Å; W45-F110 AromaticContact CD1-CD1 3.67Å; W45-F110 AromaticContact CD1-CD2 3.99Å; W45-F110 AromaticContact CD1-CE1 3.7Å; W45-F110 AromaticContact CD1-CG 3.82Å; W45-F110 AromaticContact CD1-CZ 3.88Å; W45-F110 HydrophobicContact CD2-CD1 4.38Å; W45-F110 AromaticContact CD2-CE1 3.65Å; W45-F110 HydrophobicContact CD2-CE1 3.65Å; W45-F110 HydrophobicContact CD2-CE2 4.28Å; W45-F110 AromaticContact CD2-CZ 3.59Å; W45-F110 HydrophobicContact CD2-CZ 3.59Å; W45-F110 AromaticContact CE2-CE1 3.91Å; W45-F110 AromaticContact CE2-CE2 3.66Å; W45-F110 AromaticContact CE2-CZ 3.4Å; W45-F110 HydrophobicContact CE3-CE1 4.19Å; W45-F110 HydrophobicContact CE3-CZ 4.08Å; W45-F110 AromaticContact CG-CD1 3.83Å; W45-F110 HydrophobicContact CG-CD1 3.83Å; W45-F110 AromaticContact CG-CE1 3.55Å; W45-F110 HydrophobicContact CG-CE1 3.55Å; W45-F110 HydrophobicContact CG-CG 4.42Å; W45-F110 AromaticContact CG-CZ 3.93Å; W45-F110 HydrophobicContact CG-CZ 3.93Å; W45-F110 HydrophobicContact CH2-CZ 4.26Å; W45-F110 AromaticContact CZ2-CE2 3.96Å; W45-F110 HydrophobicContact CZ2-CE2 3.96Å; W45-F110 AromaticContact CZ2-CZ 3.78Å; W45-F110 HydrophobicContact CZ2-CZ 3.78Å; W45-F110 HydrophobicContact CZ3-CZ 4.36Å; W45-F110 AromaticContact NE1-CD2 3.72Å; W45-F110 AromaticContact NE1-CE1 3.91Å; W45-F110 AromaticContact NE1-CE2 3.48Å; W45-F110 AromaticContact NE1-CZ 3.57Å; W45-M132 HydrophobicContact CH2-SD 4.22Å; W45-M132 HydrophobicContact CZ2-CE 3.75Å; W45-M132 HydrophobicContact CZ2-SD 3.83Å; W45-L166 HydrophobicContact CH2-CD1 3.75Å; W45-L166 HydrophobicContact CZ2-CD1 4.27Å
46I92.7Very high82.6Confident44 Ų4456.2 Ų56.223%0.22626%0.258CS..EExtended strand (participates in β ladder)trans-127.8136.3-163.8-52.4-173.4000111A44 R50 R51 T109 V111A44-I46 HydrophobicContact CB-CD1 4.37Å; A44-I46 HydrophobicContact CB-CG1 4.3Å; I46-R50 WeakPolarHBondContact CA-O 3.17Å; I46-R51 HydrophobicContact CD1-CG 4.13Å; I46-R51 HydrophobicContact CG1-CB 4.2Å; I46-R51 HydrophobicContact CG1-CG 4Å; I46-T109 PolarHBondContact N-O 2.87Å; I46-T109 PolarHBondContact O-N 3.45Å; I46-V111 HydrophobicContact CD1-CB 4.38Å; I46-V111 HydrophobicContact CD1-CG2 3.93Å; I46-V111 HydrophobicContact CG1-CG2 4.35Å
47H90.6Very high80.1Confident18 Ų1859.6 Ų59.68%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-148.7111.6172168.4-62.5000110.3K49 R50 K106 E107 W108H47-K49 PolarHBondContact O-N 2.85Å; H47-R50 PolarHBondContact N-O 2.93Å; H47-R50 WeakPolarHBondContact O-CB 3.35Å; H47-R50 PolarHBondContact O-N 3.21Å; H47-K106 WeakPolarHBondContact NE2-CE 3.28Å; H47-E107 PolarHBondContact CD2-O 2.99Å; H47-W108 HydrophobicContact CB-CD2 3.37Å; H47-W108 HydrophobicContact CB-CE3 3.56Å; H47-W108 HydrophobicContact CB-CG 3.81Å; H47-W108 HydrophobicContact CB-CH2 4.15Å; H47-W108 HydrophobicContact CB-CZ2 3.98Å; H47-W108 HydrophobicContact CB-CZ3 3.95Å; H47-W108 AromaticContact CD2-CD1 3.63Å; H47-W108 AromaticContact CD2-CE2 3.88Å; H47-W108 AromaticContact CD2-NE1 3.51Å; H47-W108 AromaticContact CG-CE2 3.84Å; H47-W108 AromaticContact CG-NE1 3.96Å
48R85.7Confident78Confident204 Ų20464.1 Ų64.177%0.7730%0.3SS*.THydrogen-bonded Turntrans51.7-134.1-172.8-55.3178.8-173.81660.7109.3R50R48-R50 PolarHBondContact O-N 2.62Å; R48-R50 VanDerWaalsContact O-N 3.17Å
49K77.4Confident75.7Confident195 Ų19570.2 Ų70.285%0.84834%0.34SS*.THydrogen-bonded Turntrans-7511.2176.8-56.9-165.2178.1-167.60114.9H47H47-K49 PolarHBondContact O-N 2.85Å
50R82.9Confident73.7Confident46 Ų4672.9 Ų72.917%0.17435%0.345CS..EExtended strand (participates in β ladder)trans-100.1127.8173.7-55.3-173.5-169.9-167.33.2110.3I46 H47 R48 Y52 V91I46-R50 WeakPolarHBondContact CA-O 3.17Å; H47-R50 PolarHBondContact N-O 2.93Å; H47-R50 WeakPolarHBondContact O-CB 3.35Å; H47-R50 PolarHBondContact O-N 3.21Å; R48-R50 PolarHBondContact O-N 2.62Å; R48-R50 VanDerWaalsContact O-N 3.17Å; R50-Y52 HydrophobicContact CB-CE2 4.17Å; R50-V91 PolarHBondContact NH1-O 3.46Å
51R86.6Confident72Confident114 Ų11473.9 Ų73.943%0.4335%0.349SS..EExtended strand (participates in β ladder)trans-132.3127.8171.9172.6170.5175.2-157.3-5.5109.3I46 V53 E113I46-R51 HydrophobicContact CD1-CG 4.13Å; I46-R51 HydrophobicContact CG1-CB 4.2Å; I46-R51 HydrophobicContact CG1-CG 4Å; R51-V53 HydrophobicContact CG-CG2 4.09Å; R51-E113 IonicContact CZ-OE1 2.73Å; R51-E113 VanDerWaalsContact CZ-OE1 3.26Å; R51-E113 IonicContact CZ-OE2 2.72Å; R51-E113 IonicContact NE-OE1 3.16Å; R51-E113 IonicContact NE-OE2 2.82Å; R51-E113 IonicContact NH1-OE1 2.84Å; R51-E113 IonicContact NH2-OE1 3.19Å; R51-E113 PolarHBondContact NH2-OE1 3.28Å; R51-E113 IonicContact NH2-OE2 3.82Å; R51-E113 PolarHBondContact NH2-OE2 2.93Å
52Y87.6Confident70.3Confident84 Ų8477.9 Ų77.933%0.32937%0.365SS..EExtended strand (participates in β ladder)trans-115.9142.3170.6-64-102.5000107.1A44 W45 R50 I90 W108A44-Y52 CarbonylContact C-O 3.56Å; A44-Y52 WeakPolarHBondContact CA-O 3.41Å; W45-Y52 PolarHBondContact N-O 3.47Å; W45-Y52 PolarHBondContact O-N 3.33Å; R50-Y52 HydrophobicContact CB-CE2 4.17Å; Y52-I90 HydrophobicContact CD1-CG2 4.28Å; Y52-I90 HydrophobicContact CD2-CG2 3.74Å; Y52-I90 HydrophobicContact CE2-CG2 4.02Å; Y52-I90 HydrophobicContact CG-CG2 3.9Å; Y52-W108 HydrophobicContact CD2-CH2 4.3Å; Y52-W108 AromaticContact CD2-CZ3 3.92Å; Y52-W108 HydrophobicContact CD2-CZ3 3.92Å; Y52-W108 AromaticContact CE2-CH2 3.89Å; Y52-W108 HydrophobicContact CE2-CH2 3.89Å; Y52-W108 AromaticContact CE2-CZ3 3.99Å; Y52-W108 HydrophobicContact CE2-CZ3 3.99Å
53V83.1Confident68.8Low28 Ų2880 Ų8017%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-129.2148.5177.8-168.20000107.1C42 A44 R51 V61C42-V53 HydrophobicContact CB-CG1 4.28Å; A44-V53 HydrophobicContact CB-CG2 4.03Å; R51-V53 HydrophobicContact CG-CG2 4.09Å; V53-V61 HydrophobicContact CB-CG2 4.49Å; V53-V61 HydrophobicContact CG1-CB 4.49Å; V53-V61 HydrophobicContact CG1-CG1 3.6Å; V53-V61 HydrophobicContact CG1-CG2 4.03Å
54S69.9Low67.7Low2 Ų280.3 Ų80.31%0.01438%0.38CS..  trans-64.4135.8179.885.50000111.2V43 Y62 E86V43-S54 PolarHBondContact O-N 2.84Å; V43-S54 VanDerWaalsContact O-N 3.16Å; S54-Y62 PolarHBondContact O-N 3.23Å; S54-E86 WeakPolarHBondContact CB-OE1 3.26Å; S54-E86 PolarHBondContact OG-OE1 2.83Å
55K57.4Low66.6Low176 Ų17685.9 Ų85.977%0.76541%0.409SS*.  trans-132.2119.3-169.2-75.2-177.5-179.9-175.60109.8E86K55-E86 PolarHBondContact N-OE1 3.3Å
56V46Very low65.9Low65 Ų6586.8 Ų86.839%0.39441%0.413SS..  trans-121.598.8167.1-176.40000109.4Y62 E86V56-Y62 HydrophobicContact CB-CD2 4Å; V56-Y62 HydrophobicContact CB-CG 4.49Å; V56-Y62 HydrophobicContact CG2-CD2 3.94Å; V56-Y62 HydrophobicContact CG2-CG 4.09Å; V56-E86 HydrophobicContact CG2-CB 3.91Å; V56-E86 HydrophobicContact CG2-CG 3.9Å
57S36Very low65Low106 Ų10691.3 Ų91.374%0.74143%0.433SS*.SBendtrans38.887.5161.5-1460000119.3
58R38.5Very low64.4Low182 Ų18294 Ų9469%0.68745%0.452SS*.SBendtrans66.5128.4157.8-57.2179.3172.4-170.4-4.8118.3N428R58-N428 PolarHBondContact NH2-OD1 2.91Å
59P38.1Very low63.9Low132 Ų13285.4 Ų85.486%0.85742%0.423SS*.SBendcis-112.239.7-3239.9-27.5000110.5
60L37.5Very low63.8Low120 Ų12083.2 Ų83.263%0.62842%0.42SS*.SBendtrans-121.1160.8176-83.4161.1000110.6
61V48.5Very low63.5Low33 Ų3385.2 Ų85.220%0.244%0.437CS..  trans-59.4151.2166165.90000109.1C42 V53 V63 F122C42-V61 HydrophobicContact CB-CG1 3.45Å; C42-V61 VanDerWaalsContact CB-CG1 3.45Å; V53-V61 HydrophobicContact CB-CG2 4.49Å; V53-V61 HydrophobicContact CG1-CB 4.49Å; V53-V61 HydrophobicContact CG1-CG1 3.6Å; V53-V61 HydrophobicContact CG1-CG2 4.03Å; V61-V63 WeakPolarHBondContact O-CG2 3.36Å; V61-V63 PolarHBondContact O-N 3.4Å; V61-F122 HydrophobicContact CB-CE1 4.34Å; V61-F122 HydrophobicContact CB-CZ 4.44Å; V61-F122 HydrophobicContact CG1-CE1 4.36Å; V61-F122 HydrophobicContact CG2-CE1 4.1Å; V61-F122 HydrophobicContact CG2-CZ 3.86Å
62Y54.1Low63Low84 Ų8481.8 Ų81.833%0.32943%0.427SS..  trans-70.1101.7168.8-171.8-110.7000109.3S54 V56 C64 W80 E86S54-Y62 PolarHBondContact O-N 3.23Å; V56-Y62 HydrophobicContact CB-CD2 4Å; V56-Y62 HydrophobicContact CB-CG 4.49Å; V56-Y62 HydrophobicContact CG2-CD2 3.94Å; V56-Y62 HydrophobicContact CG2-CG 4.09Å; Y62-C64 WeakPolarHBondContact CE1-SG 3.11Å; Y62-W80 AromaticContact CE1-NE1 3.76Å; Y62-E86 WeakPolarHBondContact CB-OE1 3.27Å; Y62-E86 WeakPolarHBondContact CD1-OE2 3.46Å
63V57.5Low62.7Low46 Ų4681.3 Ų81.328%0.27943%0.434SS..  trans-91.7106.9179.5-176.90000108.1A40 V61 N65 V115A40-V63 HydrophobicContact CB-CG1 3.38Å; V61-V63 WeakPolarHBondContact O-CG2 3.36Å; V61-V63 PolarHBondContact O-N 3.4Å; V63-N65 PolarHBondContact O-N 3.48Å; V63-V115 HydrophobicContact CG1-CB 4.31Å; V63-V115 HydrophobicContact CG1-CG2 4.14Å; V63-V115 HydrophobicContact CG2-CG1 4.26Å; V63-V115 HydrophobicContact CG2-CG2 4.18Å
64C68.1Low62.8Low7 Ų784.4 Ų84.45%0.04744%0.443CS..EExtended strand (participates in β ladder)trans-74.2112.7170-57.60000107.9A40 V41 Y62 W66 I78A40-C64 WeakPolarHBondContact CA-O 3.31Å; V41-C64 HydrophobicContact CG2-CB 4.01Å; V41-C64 PolarHBondContact N-O 3.38Å; V41-C64 WeakPolarHBondContact O-CB 3.45Å; V41-C64 PolarHBondContact O-N 3.13Å; Y62-C64 WeakPolarHBondContact CE1-SG 3.11Å; C64-W66 PolarHBondContact O-N 3.18Å; C64-I78 HydrophobicContact CB-CD1 3.7Å; C64-I78 HydrophobicContact CB-CG1 4.13Å; C64-I78 HydrophobicContact CB-CG2 3.89Å
65N67.5Low63.6Low117 Ų11785 Ų8563%0.62645%0.448SS*.EExtended strand (participates in β ladder)trans-59.7133.4165.7-67.6-17.7000108.3V63V63-N65 PolarHBondContact O-N 3.48Å
66W77.7Confident64.9Low19 Ų1976.7 Ų76.77%0.07241%0.412CS..  trans-88.1121.7174.5-179.396.1000108.5I30 Q37 P38 A39 C64 P68 G76I30-W66 PolarHBondContact O-NE1 3.49Å; Q37-W66 HydrophobicContact CB-CE3 3.99Å; Q37-W66 HydrophobicContact CB-CH2 3.98Å; Q37-W66 HydrophobicContact CB-CZ3 3.64Å; Q37-W66 VanDerWaalsContact CD-CZ3 3.45Å; Q37-W66 HydrophobicContact CG-CE3 4.43Å; Q37-W66 HydrophobicContact CG-CH2 3.52Å; Q37-W66 HydrophobicContact CG-CZ2 4.27Å; Q37-W66 HydrophobicContact CG-CZ3 3.6Å; P38-W66 HydrophobicContact CG-CB 4.06Å; P38-W66 HydrophobicContact CG-CD2 4.23Å; P38-W66 HydrophobicContact CG-CG 3.76Å; P38-W66 WeakPolarHBondContact O-CB 3.24Å; A39-W66 PolarHBondContact O-N 3.08Å; A39-W66 VanDerWaalsContact O-N 3.15Å; C64-W66 PolarHBondContact O-N 3.18Å; W66-P68 HydrophobicContact CH2-CB 3.78Å; W66-P68 HydrophobicContact CZ3-CB 3.89Å; W66-P68 HydrophobicContact CZ3-CG 4.3Å; W66-G76 VanDerWaalsContact CZ2-N 3.31Å
67E74.6Confident66.8Low139 Ų13977.3 Ų77.365%0.6541%0.412SS*.  trans-117.2136.9174.8-66.5-171177.600110.2G76E67-G76 WeakPolarHBondContact O-CA 3.35Å
68P78.6Confident69.1Low74 Ų7473.1 Ų73.148%0.48138%0.381SS..EExtended strand (participates in β ladder)trans-73.5140.4-17929.6-34.6000112.1W66 P73W66-P68 HydrophobicContact CH2-CB 3.78Å; W66-P68 HydrophobicContact CZ3-CB 3.89Å; W66-P68 HydrophobicContact CZ3-CG 4.3Å; P68-P73 WeakPolarHBondContact CB-O 3.19Å
69S73.8Confident71.2Confident24 Ų2470.1 Ų70.117%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-66.3138.8173.1177.70000111.6T71 N72 C75S69-T71 PolarHBondContact O-N 3.14Å; S69-T71 VanDerWaalsContact O-N 3.12Å; S69-T71 PolarHBondContact OG-N 3.39Å; S69-T71 VanDerWaalsContact OG-N 3.1Å; S69-T71 PolarHBondContact OG-OG1 3.38Å; S69-N72 CarbonylContact O-C 3.19Å; S69-N72 PolarHBondContact O-N 3.08Å; S69-N72 VanDerWaalsContact O-O 3.08Å; S69-C75 WeakPolarHBondContact CA-O 3.39Å; S69-C75 WeakPolarHBondContact CB-O 3.39Å; S69-C75 PolarHBondContact N-O 3.49Å
70I76.2Confident73.2Confident150 Ų15064.6 Ų64.677%0.76934%0.34SS*.THydrogen-bonded Turntrans-58.1-19.8169.6-168.2170.1000113.5V650I70-V650 HydrophobicContact CG2-CG2 3.31Å
71T75.4Confident74.6Confident87 Ų8761.7 Ų61.753%0.53433%0.329SS..THydrogen-bonded Turntrans-91.1-25.4177.260.20000114.3S69 P648 V650S69-T71 PolarHBondContact O-N 3.14Å; S69-T71 VanDerWaalsContact O-N 3.12Å; S69-T71 PolarHBondContact OG-N 3.39Å; S69-T71 VanDerWaalsContact OG-N 3.1Å; S69-T71 PolarHBondContact OG-OG1 3.38Å; T71-P648 HydrophobicContact CG2-CB 4.11Å; T71-V650 HydrophobicContact CG2-CB 4.3Å; T71-V650 HydrophobicContact CG2-CG2 3.63Å
72N77.9Confident75.2Confident43 Ų4366.2 Ų66.223%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-152108.6179.5174.1-1.8000107.8E31 S69 Y74 C75E31-N72 PolarHBondContact OE1-ND2 3.49Å; S69-N72 CarbonylContact O-C 3.19Å; S69-N72 PolarHBondContact O-N 3.08Å; S69-N72 VanDerWaalsContact O-O 3.08Å; N72-Y74 PolarHBondContact O-N 3.3Å; N72-Y74 PolarHBondContact OD1-N 2.99Å; N72-C75 HydrophobicContact CB-CB 3.94Å; N72-C75 PolarHBondContact O-N 2.86Å
73P80.3Confident75.2Confident74 Ų7469.4 Ų69.448%0.48138%0.38SS..EExtended strand (participates in β ladder)trans-67-6-174.329.4-36.5000113.7Q37 P68Q37-P73 PolarHBondContact NE2-O 2.61Å; P68-P73 WeakPolarHBondContact CB-O 3.19Å
74Y85Confident75.1Confident92 Ų9269.4 Ų69.436%0.36138%0.381SS..EExtended strand (participates in β ladder)trans-105-5175.6-46.8-62.1000113.2C32 P34 N72C32-Y74 WeakPolarHBondContact CB-O 3.38Å; C32-Y74 PolarHBondContact N-O 2.95Å; C32-Y74 WeakPolarHBondContact O-CB 3.31Å; P34-Y74 HydrophobicContact CB-CD1 4.31Å; P34-Y74 HydrophobicContact CB-CE1 3.73Å; P34-Y74 HydrophobicContact CB-CE2 4.35Å; P34-Y74 HydrophobicContact CG-CD1 4.35Å; P34-Y74 HydrophobicContact CG-CD2 4.2Å; P34-Y74 HydrophobicContact CG-CE1 4.05Å; P34-Y74 HydrophobicContact CG-CE2 3.87Å; P34-Y74 HydrophobicContact CG-CG 4.42Å; N72-Y74 PolarHBondContact O-N 3.3Å; N72-Y74 PolarHBondContact OD1-N 2.99Å
75C86.1Confident74.4Confident16 Ų1675.6 Ų75.611%0.10842%0.419CS..EExtended strand (participates in β ladder)trans-109.4111.8177-178.50000110.4V29 I30 E31 S69 N72V29-C75 VanDerWaalsContact CG1-SG 3.56Å; I30-C75 WeakPolarHBondContact O-CA 3.11Å; E31-C75 HydrophobicContact CB-CB 4.45Å; E31-C75 HydrophobicContact CG-CB 4.3Å; S69-C75 WeakPolarHBondContact CA-O 3.39Å; S69-C75 WeakPolarHBondContact CB-O 3.39Å; S69-C75 PolarHBondContact N-O 3.49Å; N72-C75 HydrophobicContact CB-CB 3.94Å; N72-C75 PolarHBondContact O-N 2.86Å
76G85.2Confident74.1Confident1 Ų170.5 Ų70.51%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-96149.5171.400000111.8I30 W66 E67I30-G76 PolarHBondContact N-O 2.98Å; I30-G76 PolarHBondContact O-N 3.05Å; W66-G76 VanDerWaalsContact CZ2-N 3.31Å; E67-G76 WeakPolarHBondContact O-CA 3.35Å
77I85.5Confident74Confident78 Ų7872 Ų7240%0.441%0.405SS..EExtended strand (participates in β ladder)trans-129.5118.4178.7-54.1177.6000108.1E27 V29 L79E27-I77 HydrophobicContact CG-CG2 4.05Å; V29-I77 HydrophobicContact CG1-CG1 4.41Å; V29-I77 HydrophobicContact CG2-CG1 4.46Å; V29-I77 HydrophobicContact CG2-CG2 4.46Å; I77-L79 HydrophobicContact CG2-CD2 4.07Å; I77-L79 HydrophobicContact CG2-CG 4.12Å
78I85.4Confident74.6Confident18 Ų1865.8 Ų65.89%0.09238%0.376CS..EExtended strand (participates in β ladder)trans-101.4125174.2-67.3154.2000107.2E27 L28 I30 V41 C64 W80E27-I78 CarbonylContact C-O 3.59Å; E27-I78 WeakPolarHBondContact CA-O 3.38Å; L28-I78 HydrophobicContact CB-CB 4.2Å; L28-I78 HydrophobicContact CD2-CD1 4.17Å; L28-I78 HydrophobicContact CG-CD1 4.38Å; L28-I78 PolarHBondContact N-O 3.11Å; L28-I78 PolarHBondContact O-N 3.09Å; I30-I78 HydrophobicContact CD1-CD1 4.38Å; V41-I78 HydrophobicContact CG2-CD1 3.4Å; C64-I78 HydrophobicContact CB-CD1 3.7Å; C64-I78 HydrophobicContact CB-CG1 4.13Å; C64-I78 HydrophobicContact CB-CG2 3.89Å; I78-W80 HydrophobicContact CG2-CD2 4.47Å; I78-W80 HydrophobicContact CG2-CE3 4.17Å; I78-W80 HydrophobicContact CG2-CH2 3.9Å; I78-W80 HydrophobicContact CG2-CZ2 4.18Å; I78-W80 HydrophobicContact CG2-CZ3 3.9Å
79L82.9Confident75.1Confident118 Ų11866 Ų6662%0.61837%0.37SS*.EExtended strand (participates in β ladder)trans-116125.5177.8-65.6175.4000109.7I26 E27 I77 P81I26-L79 WeakPolarHBondContact O-CA 3.37Å; E27-L79 HydrophobicContact CB-CD2 3.92Å; E27-L79 HydrophobicContact CG-CD2 3.86Å; I77-L79 HydrophobicContact CG2-CD2 4.07Å; I77-L79 HydrophobicContact CG2-CG 4.12Å; L79-P81 WeakPolarHBondContact O-CD 3.35Å
80W80.1Confident76Confident16 Ų1664.9 Ų64.96%0.06136%0.362CS..  trans-85.5121.9169.9-75.2-95.6000109F25 I26 L28 V43 Y62 I78 E86 L162F25-W80 HydrophobicContact CB-CD2 3.47Å; F25-W80 VanDerWaalsContact CB-CD2 3.47Å; F25-W80 HydrophobicContact CB-CE3 3.54Å; F25-W80 HydrophobicContact CB-CG 3.97Å; F25-W80 HydrophobicContact CB-CH2 4.05Å; F25-W80 HydrophobicContact CB-CZ2 4Å; F25-W80 HydrophobicContact CB-CZ3 3.82Å; F25-W80 HydrophobicContact CD2-CZ2 4.31Å; F25-W80 HydrophobicContact CG-CH2 4.46Å; F25-W80 HydrophobicContact CG-CZ2 4.29Å; F25-W80 WeakPolarHBondContact O-CB 3.45Å; I26-W80 PolarHBondContact O-N 3.05Å; L28-W80 HydrophobicContact CB-CH2 3.69Å; L28-W80 HydrophobicContact CB-CZ3 3.48Å; L28-W80 VanDerWaalsContact CB-CZ3 3.48Å; L28-W80 HydrophobicContact CD2-CH2 3.95Å; V43-W80 HydrophobicContact CG2-CH2 4.11Å; V43-W80 HydrophobicContact CG2-CZ2 4.31Å; Y62-W80 AromaticContact CE1-NE1 3.76Å; I78-W80 HydrophobicContact CG2-CD2 4.47Å; I78-W80 HydrophobicContact CG2-CE3 4.17Å; I78-W80 HydrophobicContact CG2-CH2 3.9Å; I78-W80 HydrophobicContact CG2-CZ2 4.18Å; I78-W80 HydrophobicContact CG2-CZ3 3.9Å; W80-E86 PolarHBondContact NE1-OE2 3.39Å; W80-L162 HydrophobicContact CH2-CD1 4.4Å; W80-L162 HydrophobicContact CZ3-CD1 4.32Å
81P67.1Low76.7Confident60 Ų6060.2 Ų60.239%0.3934%0.341SS..  trans-59.8143176.5-21.731.7000111.1L79 Q83 C84L79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-Q83 VanDerWaalsContact CB-CD 3.46Å; P81-Q83 HydrophobicContact CB-CG 4.2Å; P81-Q83 VanDerWaalsContact CB-OE1 3.31Å; P81-Q83 PolarHBondContact O-N 3.48Å; P81-Q83 VanDerWaalsContact O-N 3.15Å; P81-C84 HydrophobicContact CB-CB 4.26Å; P81-C84 HydrophobicContact CG-CB 4.44Å; P81-C84 WeakPolarHBondContact O-CA 3.27Å; P81-C84 WeakPolarHBondContact O-CB 3.49Å; P81-C84 PolarHBondContact O-N 3.43Å
82S61.1Low77.4Confident127 Ų12756.1 Ų56.189%0.88832%0.316SS*.THydrogen-bonded Turntrans-64.5-20.4179.452.70000113.6
83Q53.9Low78.1Confident152 Ų15254.8 Ų54.871%0.7131%0.309SS*.THydrogen-bonded Turntrans-84.8-4.4170.269.9-84.426.400114.2P81P81-Q83 VanDerWaalsContact CB-CD 3.46Å; P81-Q83 HydrophobicContact CB-CG 4.2Å; P81-Q83 VanDerWaalsContact CB-OE1 3.31Å; P81-Q83 PolarHBondContact O-N 3.48Å; P81-Q83 VanDerWaalsContact O-N 3.15Å
84C54.3Low78.6Confident45 Ų4551.5 Ų51.530%0.30429%0.288SS..  trans-79121.6174.4-167.10000109.6P81 E86P81-C84 HydrophobicContact CB-CB 4.26Å; P81-C84 HydrophobicContact CG-CB 4.44Å; P81-C84 WeakPolarHBondContact O-CA 3.27Å; P81-C84 WeakPolarHBondContact O-CB 3.49Å; P81-C84 PolarHBondContact O-N 3.43Å; C84-E86 PolarHBondContact O-N 3.47Å
85T54.3Low78.9Confident137 Ų13748.3 Ų48.384%0.8428%0.275SS*.  trans-81.516.1-179.650.70000113.5S87T85-S87 PolarHBondContact O-N 3.28Å
86E60.7Low79.1Confident10 Ų1049.4 Ų49.45%0.04728%0.277CS..  trans-69.498.6178.2-171.7169.9-138.400111S54 K55 V56 Y62 W80 C84S54-E86 WeakPolarHBondContact CB-OE1 3.26Å; S54-E86 PolarHBondContact OG-OE1 2.83Å; K55-E86 PolarHBondContact N-OE1 3.3Å; V56-E86 HydrophobicContact CG2-CB 3.91Å; V56-E86 HydrophobicContact CG2-CG 3.9Å; Y62-E86 WeakPolarHBondContact CB-OE1 3.27Å; Y62-E86 WeakPolarHBondContact CD1-OE2 3.46Å; W80-E86 PolarHBondContact NE1-OE2 3.39Å; C84-E86 PolarHBondContact O-N 3.47Å
87S76.2Confident79.2Confident51 Ų5153 Ų5336%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-125.4126.1173.771.60000110.9A23 T85 E89A23-S87 CarbonylContact O-C 3.53Å; A23-S87 VanDerWaalsContact O-CA 3.24Å; A23-S87 WeakPolarHBondContact O-CA 3.31Å; T85-S87 PolarHBondContact O-N 3.28Å; S87-E89 PolarHBondContact O-N 2.63Å
88L86.9Confident78.9Confident8 Ų855.3 Ų55.34%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-89104.3178.9-161171.7000108.4A23 F25 W45 I90A23-L88 PolarHBondContact N-O 2.89Å; A23-L88 PolarHBondContact O-N 2.99Å; F25-L88 HydrophobicContact CE2-CB 4.06Å; F25-L88 HydrophobicContact CE2-CD1 4.32Å; F25-L88 HydrophobicContact CZ-CB 4.05Å; F25-L88 HydrophobicContact CZ-CD1 4Å; W45-L88 HydrophobicContact CB-CD1 4.19Å; W45-L88 HydrophobicContact CB-CD2 4.01Å; W45-L88 HydrophobicContact CE3-CD2 3.87Å; L88-I90 HydrophobicContact CD2-CG2 4.11Å
89E89Confident78.7Confident78 Ų7863 Ų6336%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-92.2138.6179.5-179.8174.4147.800111.9R20 V21 V22 S87R20-E89 HydrophobicContact CG-CG 4.17Å; R20-E89 IonicContact CZ-OE1 3.86Å; R20-E89 VanDerWaalsContact NE-CD 3.27Å; R20-E89 IonicContact NE-OE1 3.75Å; R20-E89 PolarHBondContact NE-OE1 2.87Å; R20-E89 IonicContact NE-OE2 3.34Å; R20-E89 PolarHBondContact NE-OE2 3.29Å; R20-E89 IonicContact NH2-OE1 3.86Å; R20-E89 PolarHBondContact NH2-OE1 3.37Å; R20-E89 VanDerWaalsContact NH2-OE1 3.08Å; V21-E89 WeakPolarHBondContact O-CA 3.34Å; V22-E89 HydrophobicContact CG2-CB 4.37Å; V22-E89 HydrophobicContact CG2-CG 4.2Å; S87-E89 PolarHBondContact O-N 2.63Å
90I91.5Very high78.7Confident1 Ų159.6 Ų59.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-130156.2168.764.8169.9000111.3R20 V21 W45 Y52 L88 T92 W108R20-I90 WeakPolarHBondContact CA-O 3.44Å; V21-I90 HydrophobicContact CB-CD1 4.34Å; V21-I90 HydrophobicContact CB-CG1 3.91Å; V21-I90 HydrophobicContact CG2-CG1 4.44Å; V21-I90 PolarHBondContact N-O 3.07Å; V21-I90 PolarHBondContact O-N 3.46Å; W45-I90 HydrophobicContact CD2-CD1 4.11Å; W45-I90 HydrophobicContact CD2-CG2 4.32Å; W45-I90 HydrophobicContact CE3-CB 4.32Å; W45-I90 HydrophobicContact CE3-CD1 3.71Å; W45-I90 HydrophobicContact CE3-CG1 3.89Å; W45-I90 HydrophobicContact CE3-CG2 3.53Å; W45-I90 HydrophobicContact CH2-CD1 3.47Å; W45-I90 VanDerWaalsContact CH2-CD1 3.47Å; W45-I90 HydrophobicContact CH2-CG1 3.91Å; W45-I90 HydrophobicContact CZ2-CD1 3.87Å; W45-I90 HydrophobicContact CZ3-CB 4.3Å; W45-I90 HydrophobicContact CZ3-CD1 3.41Å; W45-I90 VanDerWaalsContact CZ3-CD1 3.41Å; W45-I90 HydrophobicContact CZ3-CG1 3.44Å; W45-I90 VanDerWaalsContact CZ3-CG1 3.44Å; W45-I90 HydrophobicContact CZ3-CG2 3.98Å; Y52-I90 HydrophobicContact CD1-CG2 4.28Å; Y52-I90 HydrophobicContact CD2-CG2 3.74Å; Y52-I90 HydrophobicContact CE2-CG2 4.02Å; Y52-I90 HydrophobicContact CG-CG2 3.9Å; L88-I90 HydrophobicContact CD2-CG2 4.11Å; I90-T92 HydrophobicContact CD1-CG2 4.24Å; I90-W108 HydrophobicContact CB-CH2 3.99Å; I90-W108 HydrophobicContact CB-CZ3 4.2Å; I90-W108 HydrophobicContact CD1-CD2 3.63Å; I90-W108 HydrophobicContact CD1-CE3 3.75Å; I90-W108 HydrophobicContact CD1-CG 4.32Å; I90-W108 HydrophobicContact CD1-CH2 3.8Å; I90-W108 HydrophobicContact CD1-CZ2 3.69Å; I90-W108 HydrophobicContact CD1-CZ3 3.84Å; I90-W108 HydrophobicContact CG1-CH2 4.47Å; I90-W108 HydrophobicContact CG2-CE3 4.43Å; I90-W108 HydrophobicContact CG2-CH2 4.01Å; I90-W108 HydrophobicContact CG2-CZ3 3.75Å
91V91.5Very high78.7Confident52 Ų5266.4 Ų66.432%0.31536%0.359SS..EExtended strand (participates in β ladder)trans-114.2122.1166.8179.80000109.8F19 R50 L171F19-V91 WeakPolarHBondContact O-CA 3.38Å; R50-V91 PolarHBondContact NH1-O 3.46Å; V91-L171 HydrophobicContact CG1-CD1 3.97Å; V91-L171 HydrophobicContact CG2-CD1 4.07Å
92T91Very high79.6Confident1 Ų168.9 Ų68.91%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-136.8123.1-173.6-179.50000111.7F19 V21 I90 K106 W108F19-T92 HydrophobicContact CB-CG2 4.37Å; F19-T92 PolarHBondContact N-O 2.88Å; F19-T92 PolarHBondContact O-N 3.37Å; V21-T92 HydrophobicContact CG2-CG2 3.75Å; I90-T92 HydrophobicContact CD1-CG2 4.24Å; T92-K106 WeakPolarHBondContact OG1-CE 3.25Å; T92-K106 PolarHBondContact OG1-NZ 3.22Å; T92-W108 PolarHBondContact OG1-NE1 3.36Å
93T91.5Very high81Confident16 Ų1663.2 Ų63.210%0.09832%0.324CS..EExtended strand (participates in β ladder)trans-78.6128.5169.2-360000110.3A16 T17 K18 Y95 K106 D180A16-T93 HydrophobicContact CB-CG2 3.93Å; T17-T93 CarbonylContact O-C 3.52Å; T17-T93 WeakPolarHBondContact O-CA 3.41Å; K18-T93 HydrophobicContact CG-CG2 4.15Å; T93-Y95 HydrophobicContact CG2-CE2 4.35Å; T93-K106 PolarHBondContact O-NZ 3.37Å; T93-D180 HydrophobicContact CG2-CB 4.23Å
94L91.8Very high82.7Confident4 Ų458.6 Ų58.62%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-105.4154.3162.8-56.2-177.6000109.2T17 F19 F103 K106 M132 A136T17-L94 PolarHBondContact N-O 3.44Å; T17-L94 PolarHBondContact O-N 3.01Å; F19-L94 HydrophobicContact CD2-CB 4.25Å; F19-L94 HydrophobicContact CD2-CD1 3.96Å; F19-L94 HydrophobicContact CD2-CG 3.91Å; F19-L94 HydrophobicContact CE2-CB 3.99Å; F19-L94 HydrophobicContact CE2-CD1 3.77Å; F19-L94 HydrophobicContact CE2-CG 3.99Å; L94-F103 HydrophobicContact CB-CB 4.21Å; L94-F103 HydrophobicContact CB-CD1 3.56Å; L94-F103 HydrophobicContact CB-CE1 4.19Å; L94-F103 HydrophobicContact CB-CG 4.06Å; L94-F103 HydrophobicContact CD1-CB 4.27Å; L94-F103 HydrophobicContact CD1-CG 4.27Å; L94-K106 HydrophobicContact CD2-CB 3.68Å; L94-K106 HydrophobicContact CD2-CD 3.5Å; L94-K106 HydrophobicContact CD2-CG 4.23Å; L94-M132 HydrophobicContact CD1-CB 4.27Å; L94-M132 HydrophobicContact CD2-CB 3.94Å; L94-A136 HydrophobicContact CD1-CB 3.51Å
95Y90.7Very high84.5Confident26 Ų2661.5 Ų61.510%0.10232%0.317CS..EExtended strand (participates in β ladder)trans-118150.4179.8-67.4-86.1000109.9H11 K14 R15 A16 T93 F103 D104 A176 D180 M181H11-Y95 HydrophobicContact CB-CD1 4.29Å; H11-Y95 HydrophobicContact CB-CE1 4.13Å; H11-Y95 AromaticContact CD2-CD1 3.54Å; H11-Y95 AromaticContact CD2-CD2 3.51Å; H11-Y95 AromaticContact CD2-CE1 3.73Å; H11-Y95 AromaticContact CD2-CE2 3.72Å; H11-Y95 AromaticContact CD2-CG 3.41Å; H11-Y95 VanDerWaalsContact CD2-CG 3.41Å; H11-Y95 AromaticContact CD2-CZ 3.81Å; H11-Y95 AromaticContact NE2-CD2 3.72Å; H11-Y95 AromaticContact NE2-CE2 3.85Å; K14-Y95 HydrophobicContact CB-CD1 4.44Å; R15-Y95 VanDerWaalsContact O-CA 3.29Å; R15-Y95 WeakPolarHBondContact O-CA 3.46Å; A16-Y95 HydrophobicContact CB-CD1 3.9Å; A16-Y95 HydrophobicContact CB-CE1 3.72Å; T93-Y95 HydrophobicContact CG2-CE2 4.35Å; Y95-F103 CarbonylContact O-C 3.54Å; Y95-F103 VanDerWaalsContact O-CA 3.31Å; Y95-F103 WeakPolarHBondContact O-CA 3.4Å; Y95-F103 WeakPolarHBondContact O-CD1 3.48Å; Y95-D104 VanDerWaalsContact CB-OD2 3.23Å; Y95-D104 WeakPolarHBondContact CB-OD2 3.41Å; Y95-D104 PolarHBondContact O-N 2.66Å; Y95-A176 HydrophobicContact CD1-CB 4.24Å; Y95-A176 HydrophobicContact CE1-CB 3.8Å; Y95-D180 HydrophobicContact CE1-CB 4.45Å; Y95-D180 PolarHBondContact OH-O 3Å; Y95-M181 PolarHBondContact OH-N 3.24Å
96R90.4Very high86.3Confident39 Ų3956.9 Ų56.915%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-147.1151.7171.259.7-176.8175.9170.6-0.4110.5R15 S100 E101 E102 F103 E173R15-R96 HydrophobicContact CB-CG 4.2Å; R15-R96 PolarHBondContact N-O 3.45Å; R15-R96 PolarHBondContact O-N 3.08Å; R96-S100 WeakPolarHBondContact CD-O 3.47Å; R96-E101 PolarHBondContact NH1-O 2.99Å; R96-E102 VanDerWaalsContact CB-O 3.24Å; R96-E102 WeakPolarHBondContact CB-O 3.42Å; R96-F103 HydrophobicContact CB-CD1 3.91Å; R96-F103 HydrophobicContact CB-CE1 4.29Å; R96-F103 HydrophobicContact CB-CG 4.4Å; R96-F103 HydrophobicContact CG-CD1 4.01Å; R96-F103 HydrophobicContact CG-CE1 3.85Å; R96-F103 HydrophobicContact CG-CZ 4.48Å; R96-E173 IonicContact CZ-OE1 3.8Å; R96-E173 IonicContact NE-OE1 3.87Å; R96-E173 IonicContact NH2-OE1 3.73Å; R96-E173 PolarHBondContact NH2-OE1 3.46Å
97D86.7Confident87.9Confident76 Ų7661 Ų6141%0.40631%0.305SS..EExtended strand (participates in β ladder)trans-67.8152.9176.6-60.5-19.8000110.5K14 H99 S100K14-D97 VanDerWaalsContact CE-OD1 3.25Å; K14-D97 WeakPolarHBondContact CE-OD1 3.26Å; K14-D97 IonicContact NZ-OD1 3.74Å; K14-D97 PolarHBondContact NZ-OD1 3.11Å; D97-H99 PolarHBondContact O-N 2.81Å; D97-S100 PolarHBondContact O-N 3.07Å
98Q80.6Confident88.7Confident126 Ų12658.6 Ų58.659%0.58929%0.288SS*.THydrogen-bonded Turntrans-57.6-24.9-174.2-171.4170.68.300114.4
99H79.7Confident89.2Confident180 Ų18059.9 Ų59.983%0.83330%0.296SS*.THydrogen-bonded Turntrans-108.1-1.8-179.4-52.2101.9000113.7D97D97-H99 PolarHBondContact O-N 2.81Å
100S83.1Confident89.5Confident46 Ų4656.1 Ų56.132%0.32228%0.279SS..  trans-99135.9178.6-174.50000110.5R96 D97 E102R96-S100 WeakPolarHBondContact CD-O 3.47Å; D97-S100 PolarHBondContact O-N 3.07Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 PolarHBondContact OG-N 3.34Å; S100-E102 PolarHBondContact OG-O 2.96Å
101E81Confident89.6Confident160 Ų16056.7 Ų56.775%0.74828%0.282SS*.SBendtrans-77.1-24.4166-61.5-164.5148.800111.6R96R96-E101 PolarHBondContact NH1-O 2.99Å
102E85.7Confident89.7Confident112 Ų11254.2 Ų54.252%0.52327%0.267SS..SBendtrans-85.1135.7-172.8-159.9-176.5170.800112.3R96 S100 R133R96-E102 VanDerWaalsContact CB-O 3.24Å; R96-E102 WeakPolarHBondContact CB-O 3.42Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 PolarHBondContact OG-N 3.34Å; S100-E102 PolarHBondContact OG-O 2.96Å; E102-R133 IonicContact OE1-CZ 3.08Å; E102-R133 VanDerWaalsContact OE1-CZ 3.27Å; E102-R133 IonicContact OE1-NE 3.37Å; E102-R133 IonicContact OE1-NH1 3.25Å; E102-R133 IonicContact OE1-NH2 2.96Å; E102-R133 PolarHBondContact OE1-NH2 2.84Å; E102-R133 IonicContact OE2-NH2 2.73Å
103F90.6Very high89.7Confident7 Ų754.6 Ų54.63%0.03127%0.269CS..PPolyproline II helixtrans-85150.3178.2-68.1-84.1000112.9T17 F19 L94 Y95 R96 R133 A136 N137T17-F103 HydrophobicContact CG2-CZ 4.47Å; F19-F103 HydrophobicContact CE2-CE1 4.08Å; F19-F103 HydrophobicContact CE2-CE2 4.37Å; F19-F103 AromaticContact CE2-CZ 3.94Å; F19-F103 HydrophobicContact CE2-CZ 3.94Å; F19-F103 HydrophobicContact CZ-CE1 4.37Å; F19-F103 AromaticContact CZ-CE2 3.95Å; F19-F103 HydrophobicContact CZ-CE2 3.95Å; F19-F103 AromaticContact CZ-CZ 3.76Å; F19-F103 HydrophobicContact CZ-CZ 3.76Å; L94-F103 HydrophobicContact CB-CB 4.21Å; L94-F103 HydrophobicContact CB-CD1 3.56Å; L94-F103 HydrophobicContact CB-CE1 4.19Å; L94-F103 HydrophobicContact CB-CG 4.06Å; L94-F103 HydrophobicContact CD1-CB 4.27Å; L94-F103 HydrophobicContact CD1-CG 4.27Å; Y95-F103 CarbonylContact O-C 3.54Å; Y95-F103 VanDerWaalsContact O-CA 3.31Å; Y95-F103 WeakPolarHBondContact O-CA 3.4Å; Y95-F103 WeakPolarHBondContact O-CD1 3.48Å; R96-F103 HydrophobicContact CB-CD1 3.91Å; R96-F103 HydrophobicContact CB-CE1 4.29Å; R96-F103 HydrophobicContact CB-CG 4.4Å; R96-F103 HydrophobicContact CG-CD1 4.01Å; R96-F103 HydrophobicContact CG-CE1 3.85Å; R96-F103 HydrophobicContact CG-CZ 4.48Å; F103-R133 HydrophobicContact CB-CB 4.25Å; F103-R133 VanDerWaalsContact O-CZ 3.24Å; F103-R133 PolarHBondContact O-NE 3.22Å; F103-R133 PolarHBondContact O-NH2 3.5Å; F103-A136 HydrophobicContact CD2-CB 3.51Å; F103-A136 HydrophobicContact CE2-CB 3.85Å; F103-A136 HydrophobicContact CG-CB 4.21Å; F103-N137 WeakPolarHBondContact CD2-OD1 3.46Å; F103-N137 VanDerWaalsContact CE2-OD1 3.31Å; F103-N137 WeakPolarHBondContact CE2-OD1 3.26Å
104D90.3Very high89.6Confident55 Ų5554.8 Ų54.829%0.29427%0.269SS..PPolyproline II helixtrans-58.7150.2171.6-68.1-44.7000112K14 Y95K14-D104 WeakPolarHBondContact CD-OD2 3.35Å; K14-D104 WeakPolarHBondContact CE-OD2 3.33Å; K14-D104 VanDerWaalsContact NZ-CG 3.26Å; K14-D104 IonicContact NZ-OD1 2.74Å; K14-D104 PolarHBondContact NZ-OD1 2.82Å; K14-D104 IonicContact NZ-OD2 3.6Å; K14-D104 PolarHBondContact NZ-OD2 2.93Å; Y95-D104 VanDerWaalsContact CB-OD2 3.23Å; Y95-D104 WeakPolarHBondContact CB-OD2 3.41Å; Y95-D104 PolarHBondContact O-N 2.66Å
105D91.6Very high89.3Confident107 Ų10755 Ų5557%0.57227%0.27SS*.PPolyproline II helixtrans-60.9133.5176.8-72.9-51.8000112.8N131 R133D105-N131 PolarHBondContact OD1-ND2 3.49Å; D105-R133 WeakPolarHBondContact OD1-CD 3.42Å; D105-R133 IonicContact OD1-CZ 3.96Å; D105-R133 IonicContact OD1-NE 2.69Å; D105-R133 PolarHBondContact OD1-NE 2.83Å; D105-R133 IonicContact OD1-NH1 2.67Å; D105-R133 PolarHBondContact OD1-NH1 3.39Å; D105-R133 IonicContact OD2-NH1 3.68Å; D105-R133 PolarHBondContact OD2-NH1 2.87Å
106K92.1Very high88.5Confident39 Ų3955 Ų5517%0.1728%0.275CS..  trans-148.294.9175.1-162.4177.1-171-176.90112.9H47 T92 T93 L94 N131 M132H47-K106 WeakPolarHBondContact NE2-CE 3.28Å; T92-K106 WeakPolarHBondContact OG1-CE 3.25Å; T92-K106 PolarHBondContact OG1-NZ 3.22Å; T93-K106 PolarHBondContact O-NZ 3.37Å; L94-K106 HydrophobicContact CD2-CB 3.68Å; L94-K106 HydrophobicContact CD2-CD 3.5Å; L94-K106 HydrophobicContact CD2-CG 4.23Å; K106-N131 PolarHBondContact N-OD1 3.27Å; K106-M132 WeakPolarHBondContact O-CG 3.45Å; K106-M132 PolarHBondContact O-N 3.26Å
107E93.3Very high87.5Confident98 Ų9861.2 Ų61.246%0.45831%0.311SS..EExtended strand (participates in β ladder)trans-72.9123.1175.9-59.4-175.4131.700112.4H47 K129H47-E107 PolarHBondContact CD2-O 2.99Å; E107-K129 WeakPolarHBondContact OE1-CD 3.46Å; E107-K129 WeakPolarHBondContact OE1-CE 3.4Å; E107-K129 IonicContact OE1-NZ 2.96Å; E107-K129 PolarHBondContact OE1-NZ 3.48Å; E107-K129 VanDerWaalsContact OE2-CE 3.28Å; E107-K129 WeakPolarHBondContact OE2-CE 3.4Å; E107-K129 IonicContact OE2-NZ 3.91Å; E107-K129 PolarHBondContact OE2-NZ 3.29Å
108W94.8Very high86.3Confident0 Ų061.4 Ų61.40%032%0.318CS..EExtended strand (participates in β ladder)trans-105.8151.5156.2-73.965.7000109.1W45 H47 Y52 I90 T92 L130 M132W45-W108 HydrophobicContact CD2-CE3 4.21Å; W45-W108 HydrophobicContact CG-CE3 4.09Å; W45-W108 HydrophobicContact CZ2-CB 4.41Å; W45-W108 VanDerWaalsContact NE1-CB 3.31Å; H47-W108 HydrophobicContact CB-CD2 3.37Å; H47-W108 HydrophobicContact CB-CE3 3.56Å; H47-W108 HydrophobicContact CB-CG 3.81Å; H47-W108 HydrophobicContact CB-CH2 4.15Å; H47-W108 HydrophobicContact CB-CZ2 3.98Å; H47-W108 HydrophobicContact CB-CZ3 3.95Å; H47-W108 AromaticContact CD2-CD1 3.63Å; H47-W108 AromaticContact CD2-CE2 3.88Å; H47-W108 AromaticContact CD2-NE1 3.51Å; H47-W108 AromaticContact CG-CE2 3.84Å; H47-W108 AromaticContact CG-NE1 3.96Å; Y52-W108 HydrophobicContact CD2-CH2 4.3Å; Y52-W108 AromaticContact CD2-CZ3 3.92Å; Y52-W108 HydrophobicContact CD2-CZ3 3.92Å; Y52-W108 AromaticContact CE2-CH2 3.89Å; Y52-W108 HydrophobicContact CE2-CH2 3.89Å; Y52-W108 AromaticContact CE2-CZ3 3.99Å; Y52-W108 HydrophobicContact CE2-CZ3 3.99Å; I90-W108 HydrophobicContact CB-CH2 3.99Å; I90-W108 HydrophobicContact CB-CZ3 4.2Å; I90-W108 HydrophobicContact CD1-CD2 3.63Å; I90-W108 HydrophobicContact CD1-CE3 3.75Å; I90-W108 HydrophobicContact CD1-CG 4.32Å; I90-W108 HydrophobicContact CD1-CH2 3.8Å; I90-W108 HydrophobicContact CD1-CZ2 3.69Å; I90-W108 HydrophobicContact CD1-CZ3 3.84Å; I90-W108 HydrophobicContact CG1-CH2 4.47Å; I90-W108 HydrophobicContact CG2-CE3 4.43Å; I90-W108 HydrophobicContact CG2-CH2 4.01Å; I90-W108 HydrophobicContact CG2-CZ3 3.75Å; T92-W108 PolarHBondContact OG1-NE1 3.36Å; W108-L130 PolarHBondContact N-O 3.05Å; W108-L130 PolarHBondContact O-N 2.92Å; W108-M132 HydrophobicContact CB-CE 4.43Å; W108-M132 VanDerWaalsContact CD1-CG 3.41Å; W108-M132 HydrophobicContact CG-CG 4.25Å; W108-M132 HydrophobicContact CG-SD 4.46Å
109T95.6Very high85.5Confident34 Ų3456.4 Ų56.421%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-117.2118.9-177.9-54.70000110.2I46 V111 A128I46-T109 PolarHBondContact N-O 2.87Å; I46-T109 PolarHBondContact O-N 3.45Å; T109-V111 HydrophobicContact CG2-CG2 3.93Å; T109-A128 CarbonylContact C-O 3.54Å; T109-A128 WeakPolarHBondContact CA-O 3.29Å
110F95.4Very high84.8Confident0 Ų056.3 Ų56.30%029%0.293CS..EExtended strand (participates in β ladder)trans-75.6135.9163.9-77.4-71.7000109A23 F25 V43 A44 W45 S127 A128 L130 L148 M150 L164A23-F110 HydrophobicContact CB-CE1 4.23Å; A23-F110 HydrophobicContact CB-CZ 3.85Å; F25-F110 HydrophobicContact CE1-CD1 4.4Å; F25-F110 AromaticContact CE1-CE1 3.98Å; F25-F110 HydrophobicContact CE1-CE1 3.98Å; F25-F110 HydrophobicContact CZ-CE1 4.24Å; V43-F110 HydrophobicContact CG1-CD1 4.12Å; A44-F110 CarbonylContact O-C 3.47Å; A44-F110 WeakPolarHBondContact O-CA 3.47Å; W45-F110 HydrophobicContact CB-CD1 4.08Å; W45-F110 HydrophobicContact CB-CE1 3.97Å; W45-F110 AromaticContact CD1-CD1 3.67Å; W45-F110 AromaticContact CD1-CD2 3.99Å; W45-F110 AromaticContact CD1-CE1 3.7Å; W45-F110 AromaticContact CD1-CG 3.82Å; W45-F110 AromaticContact CD1-CZ 3.88Å; W45-F110 HydrophobicContact CD2-CD1 4.38Å; W45-F110 AromaticContact CD2-CE1 3.65Å; W45-F110 HydrophobicContact CD2-CE1 3.65Å; W45-F110 HydrophobicContact CD2-CE2 4.28Å; W45-F110 AromaticContact CD2-CZ 3.59Å; W45-F110 HydrophobicContact CD2-CZ 3.59Å; W45-F110 AromaticContact CE2-CE1 3.91Å; W45-F110 AromaticContact CE2-CE2 3.66Å; W45-F110 AromaticContact CE2-CZ 3.4Å; W45-F110 HydrophobicContact CE3-CE1 4.19Å; W45-F110 HydrophobicContact CE3-CZ 4.08Å; W45-F110 AromaticContact CG-CD1 3.83Å; W45-F110 HydrophobicContact CG-CD1 3.83Å; W45-F110 AromaticContact CG-CE1 3.55Å; W45-F110 HydrophobicContact CG-CE1 3.55Å; W45-F110 HydrophobicContact CG-CG 4.42Å; W45-F110 AromaticContact CG-CZ 3.93Å; W45-F110 HydrophobicContact CG-CZ 3.93Å; W45-F110 HydrophobicContact CH2-CZ 4.26Å; W45-F110 AromaticContact CZ2-CE2 3.96Å; W45-F110 HydrophobicContact CZ2-CE2 3.96Å; W45-F110 AromaticContact CZ2-CZ 3.78Å; W45-F110 HydrophobicContact CZ2-CZ 3.78Å; W45-F110 HydrophobicContact CZ3-CZ 4.36Å; W45-F110 AromaticContact NE1-CD2 3.72Å; W45-F110 AromaticContact NE1-CE1 3.91Å; W45-F110 AromaticContact NE1-CE2 3.48Å; W45-F110 AromaticContact NE1-CZ 3.57Å; F110-S127 CarbonylContact O-C 3.48Å; F110-S127 WeakPolarHBondContact O-CA 3.25Å; F110-S127 WeakPolarHBondContact O-CB 3.42Å; F110-A128 PolarHBondContact N-O 3.01Å; F110-A128 PolarHBondContact O-N 3.18Å; F110-L130 HydrophobicContact CD2-CD2 4.4Å; F110-L130 HydrophobicContact CE2-CD2 3.82Å; F110-L148 HydrophobicContact CD2-CD1 3.7Å; F110-L148 HydrophobicContact CE2-CD1 4.26Å; F110-L148 HydrophobicContact CG-CD1 4.45Å; F110-M150 HydrophobicContact CB-CE 3.98Å; F110-L164 HydrophobicContact CD2-CD2 4.33Å; F110-L164 HydrophobicContact CE1-CD2 4.27Å; F110-L164 HydrophobicContact CE2-CD2 3.83Å; F110-L164 HydrophobicContact CZ-CD2 3.81Å
111V94.3Very high84.2Confident13 Ų1360.7 Ų60.78%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-131.8129.8179.6-174.40000108.4A44 I46 T109 E113 P124 A126A44-V111 PolarHBondContact N-O 2.94Å; A44-V111 PolarHBondContact O-N 3.48Å; I46-V111 HydrophobicContact CD1-CB 4.38Å; I46-V111 HydrophobicContact CD1-CG2 3.93Å; I46-V111 HydrophobicContact CG1-CG2 4.35Å; T109-V111 HydrophobicContact CG2-CG2 3.93Å; V111-E113 HydrophobicContact CG1-CG 3.82Å; V111-P124 HydrophobicContact CG1-CB 3.61Å; V111-A126 WeakPolarHBondContact CA-O 3.5Å
112V93Very high84.3Confident0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-92.8127.4167.3-174.10000107.2L28 I30 V41 I125 A126 M150L28-V112 HydrophobicContact CD1-CG2 4.06Å; L28-V112 HydrophobicContact CD2-CG1 4.08Å; L28-V112 HydrophobicContact CD2-CG2 4.33Å; I30-V112 HydrophobicContact CD1-CG1 4.18Å; V41-V112 HydrophobicContact CB-CG1 4.16Å; V41-V112 HydrophobicContact CG1-CG1 4.47Å; V112-I125 HydrophobicContact CB-CG1 4.17Å; V112-I125 HydrophobicContact CG1-CD1 3.99Å; V112-I125 HydrophobicContact CG1-CG1 4Å; V112-I125 VanDerWaalsContact O-CG1 3.29Å; V112-I125 WeakPolarHBondContact O-CG1 3.41Å; V112-I125 PolarHBondContact O-N 3.41Å; V112-A126 HydrophobicContact CB-CB 4.42Å; V112-A126 PolarHBondContact N-O 3.11Å; V112-A126 PolarHBondContact O-N 3.03Å; V112-M150 HydrophobicContact CG2-CE 4.03Å
113E91.6Very high84.5Confident8 Ų857.3 Ų57.34%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-119.5130.5-176-57.1179.2111.500110.1V41 C42 A44 R51 V111 F122 R123V41-E113 CarbonylContact C-O 3.5Å; V41-E113 WeakPolarHBondContact CA-O 3.38Å; C42-E113 PolarHBondContact N-O 3.22Å; C42-E113 PolarHBondContact O-N 3.48Å; A44-E113 WeakPolarHBondContact CB-OE2 3.41Å; R51-E113 IonicContact CZ-OE1 2.73Å; R51-E113 VanDerWaalsContact CZ-OE1 3.26Å; R51-E113 IonicContact CZ-OE2 2.72Å; R51-E113 IonicContact NE-OE1 3.16Å; R51-E113 IonicContact NE-OE2 2.82Å; R51-E113 IonicContact NH1-OE1 2.84Å; R51-E113 IonicContact NH2-OE1 3.19Å; R51-E113 PolarHBondContact NH2-OE1 3.28Å; R51-E113 IonicContact NH2-OE2 3.82Å; R51-E113 PolarHBondContact NH2-OE2 2.93Å; V111-E113 HydrophobicContact CG1-CG 3.82Å; E113-F122 HydrophobicContact CB-CB 4.2Å; E113-R123 CarbonylContact C-O 3.5Å; E113-R123 VanDerWaalsContact CA-O 3.29Å; E113-R123 WeakPolarHBondContact CA-O 3.37Å
114E89.8Confident84.6Confident21 Ų2160.3 Ų60.310%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-70.4127.6165.6174.6-173.6-112.200108.7W36 P38 A40 F122 R123 I125 R154W36-E114 WeakPolarHBondContact CZ2-OE1 3.32Å; W36-E114 PolarHBondContact NE1-OE1 3.4Å; P38-E114 HydrophobicContact CB-CG 4.26Å; A40-E114 WeakPolarHBondContact O-CA 3.43Å; E114-F122 WeakPolarHBondContact O-CA 3.3Å; E114-R123 HydrophobicContact CB-CB 4.37Å; E114-R123 PolarHBondContact N-O 3.38Å; E114-R123 PolarHBondContact O-N 3.05Å; E114-I125 HydrophobicContact CB-CG2 3.79Å; E114-R154 IonicContact OE1-CZ 3.14Å; E114-R154 IonicContact OE1-NH1 3.28Å; E114-R154 PolarHBondContact OE1-NH1 2.77Å; E114-R154 IonicContact OE1-NH2 2.73Å; E114-R154 IonicContact OE2-CZ 2.75Å; E114-R154 IonicContact OE2-NH1 3.6Å; E114-R154 PolarHBondContact OE2-NH1 2.84Å; E114-R154 IonicContact OE2-NH2 3.67Å
115V85.6Confident84.7Confident9 Ų957.8 Ų57.86%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-91.9120.1176.3-169.80000108.1A40 C42 V63 F122A40-V115 HydrophobicContact CB-CB 4.14Å; A40-V115 PolarHBondContact O-N 2.96Å; C42-V115 HydrophobicContact CB-CG2 4.27Å; V63-V115 HydrophobicContact CG1-CB 4.31Å; V63-V115 HydrophobicContact CG1-CG2 4.14Å; V63-V115 HydrophobicContact CG2-CG1 4.26Å; V63-V115 HydrophobicContact CG2-CG2 4.18Å; V115-F122 HydrophobicContact CG1-CD1 4.42Å; V115-F122 HydrophobicContact CG1-CE1 4.07Å; V115-F122 HydrophobicContact CG2-CD1 4.01Å; V115-F122 HydrophobicContact CG2-CE1 3.98Å
116A74.6Confident84.9Confident25 Ų2552.7 Ų52.721%0.20726%0.259CS..PPolyproline II helixtrans-68.1156.6175.200000111.2S118 G119 R121A116-S118 PolarHBondContact O-N 2.97Å; A116-G119 PolarHBondContact O-N 3.4Å; A116-R121 HydrophobicContact CB-CB 4.05Å; A116-R121 WeakPolarHBondContact CB-O 3.27Å; A116-R121 PolarHBondContact N-O 3.43Å
117N68.9Low85.1Confident170 Ų17051.9 Ų51.991%0.90926%0.259SS*.THydrogen-bonded Turntrans-54-21.1-178.2-59.462.5000114.9G119N117-G119 VanDerWaalsContact C-N 3.34Å
118S60.5Low85.3Confident79 Ų7947.8 Ų47.855%0.55224%0.242SC*.THydrogen-bonded Turntrans-82.4-2.8175.561.80000114.7A116 R120A116-S118 PolarHBondContact O-N 2.97Å; S118-R120 PolarHBondContact O-N 3.04Å
119G63.4Low85.3Confident22 Ų2254 Ų5423%0.22727%0.269CS..SBendtrans67.4-15.2-178.300000116A116 N117 F122A116-G119 PolarHBondContact O-N 3.4Å; N117-G119 VanDerWaalsContact C-N 3.34Å; G119-F122 WeakPolarHBondContact O-CZ 3.47Å
120R65.4Low85.2Confident177 Ų17753.2 Ų53.267%0.66826%0.263SS*.SBendtrans-97.1-26.2-173.7-63.6-174.8-175.7-1436114.6S118S118-R120 PolarHBondContact O-N 3.04Å
121R70.7Confident85.1Confident139 Ų13955 Ų5553%0.52527%0.273SS..  trans-99.2122.6177.4-69.2-172.5179.6-176.90.6110.2A116 D932A116-R121 HydrophobicContact CB-CB 4.05Å; A116-R121 WeakPolarHBondContact CB-O 3.27Å; A116-R121 PolarHBondContact N-O 3.43Å; R121-D932 IonicContact NH2-OD2 2.8Å
122F84Confident84.9Confident56 Ų5654.6 Ų54.625%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-110.1130.7176.9-58.9-88.4000109.1V61 E113 E114 V115 G119V61-F122 HydrophobicContact CB-CE1 4.34Å; V61-F122 HydrophobicContact CB-CZ 4.44Å; V61-F122 HydrophobicContact CG1-CE1 4.36Å; V61-F122 HydrophobicContact CG2-CE1 4.1Å; V61-F122 HydrophobicContact CG2-CZ 3.86Å; E113-F122 HydrophobicContact CB-CB 4.2Å; E114-F122 WeakPolarHBondContact O-CA 3.3Å; V115-F122 HydrophobicContact CG1-CD1 4.42Å; V115-F122 HydrophobicContact CG1-CE1 4.07Å; V115-F122 HydrophobicContact CG2-CD1 4.01Å; V115-F122 HydrophobicContact CG2-CE1 3.98Å; G119-F122 WeakPolarHBondContact O-CZ 3.47Å
123R89.1Confident84.8Confident144 Ų14457.4 Ų57.454%0.54328%0.281SS..EExtended strand (participates in β ladder)trans-117.5116.4-179.8-75.9178.9170157.6-3.8110.5E113 E114 I125E113-R123 CarbonylContact C-O 3.5Å; E113-R123 VanDerWaalsContact CA-O 3.29Å; E113-R123 WeakPolarHBondContact CA-O 3.37Å; E114-R123 HydrophobicContact CB-CB 4.37Å; E114-R123 PolarHBondContact N-O 3.38Å; E114-R123 PolarHBondContact O-N 3.05Å; R123-I125 PolarHBondContact O-N 3.02Å
124P92.2Very high84.7Confident71 Ų7163.1 Ų63.146%0.46131%0.309SS..EExtended strand (participates in β ladder)trans-67.1122.1-178.929.3-35.8000110.9V111 L153V111-P124 HydrophobicContact CG1-CB 3.61Å; P124-L153 HydrophobicContact CB-CD1 3.88Å
125I93Very high84.7Confident1 Ų163 Ų631%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-105.5-28.2-179.658.5168.1000113W36 V41 V112 E114 R123 L153 R154 L157W36-I125 HydrophobicContact CH2-CB 4.37Å; W36-I125 HydrophobicContact CH2-CD1 4.1Å; W36-I125 HydrophobicContact CH2-CG2 4.02Å; W36-I125 HydrophobicContact CZ2-CG2 4.08Å; V41-I125 HydrophobicContact CG1-CD1 4.01Å; V112-I125 HydrophobicContact CB-CG1 4.17Å; V112-I125 HydrophobicContact CG1-CD1 3.99Å; V112-I125 HydrophobicContact CG1-CG1 4Å; V112-I125 VanDerWaalsContact O-CG1 3.29Å; V112-I125 WeakPolarHBondContact O-CG1 3.41Å; V112-I125 PolarHBondContact O-N 3.41Å; E114-I125 HydrophobicContact CB-CG2 3.79Å; R123-I125 PolarHBondContact O-N 3.02Å; I125-L153 PolarHBondContact O-N 2.83Å; I125-R154 PolarHBondContact O-N 3.4Å; I125-L157 HydrophobicContact CB-CD2 4.48Å; I125-L157 VanDerWaalsContact O-CD2 3.22Å; I125-L157 WeakPolarHBondContact O-CD2 3.39Å
126A95.7Very high84.6Confident0 Ų063 Ų630%031%0.31CS..EExtended strand (participates in β ladder)trans-152.1154.5176.900000112V111 V112 M150 R151 L157 C160V111-A126 WeakPolarHBondContact CA-O 3.5Å; V112-A126 HydrophobicContact CB-CB 4.42Å; V112-A126 PolarHBondContact N-O 3.11Å; V112-A126 PolarHBondContact O-N 3.03Å; A126-M150 HydrophobicContact CB-CB 3.75Å; A126-R151 CarbonylContact C-O 3.59Å; A126-R151 VanDerWaalsContact CA-O 3.23Å; A126-R151 WeakPolarHBondContact CA-O 3.45Å; A126-L157 HydrophobicContact CB-CD2 3.74Å; A126-C160 HydrophobicContact CB-CB 3.88Å
127S96.6Very high84.4Confident23 Ų2366.7 Ų66.716%0.16133%0.326CS..EExtended strand (participates in β ladder)trans-147.2152.9175.363.90000114.7F110 M150 R151F110-S127 CarbonylContact O-C 3.48Å; F110-S127 WeakPolarHBondContact O-CA 3.25Å; F110-S127 WeakPolarHBondContact O-CB 3.42Å; S127-M150 CarbonylContact O-C 3.58Å; S127-R151 PolarHBondContact N-O 3.09Å; S127-R151 WeakPolarHBondContact O-CB 3.16Å; S127-R151 PolarHBondContact O-N 3.12Å
128A96.6Very high84.6Confident12 Ų1261.1 Ų61.110%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-137.6136.6169.400000110.7T109 F110 L148 M150T109-A128 CarbonylContact C-O 3.54Å; T109-A128 WeakPolarHBondContact CA-O 3.29Å; F110-A128 PolarHBondContact N-O 3.01Å; F110-A128 PolarHBondContact O-N 3.18Å; A128-L148 HydrophobicContact CB-CB 4.27Å; A128-L148 HydrophobicContact CB-CD1 4.42Å; A128-M150 HydrophobicContact CB-CE 3.96Å; A128-M150 HydrophobicContact CB-SD 3.36Å; A128-M150 WeakPolarHBondContact CB-SD 3.47Å
129K94.7Very high84.8Confident130 Ų13060.5 Ų60.557%0.56529%0.293SS*.EExtended strand (participates in β ladder)trans-83.9143.6172.8-72.7173.4149.2-151.30110.2E107E107-K129 WeakPolarHBondContact OE1-CD 3.46Å; E107-K129 WeakPolarHBondContact OE1-CE 3.4Å; E107-K129 IonicContact OE1-NZ 2.96Å; E107-K129 PolarHBondContact OE1-NZ 3.48Å; E107-K129 VanDerWaalsContact OE2-CE 3.28Å; E107-K129 WeakPolarHBondContact OE2-CE 3.4Å; E107-K129 IonicContact OE2-NZ 3.91Å; E107-K129 PolarHBondContact OE2-NZ 3.29Å
130L94Very high84.9Confident18 Ų1864.8 Ų64.89%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-138.7123176.2-167.362.8000109.7W108 F110 M132 F135 L146 L148 L166W108-L130 PolarHBondContact N-O 3.05Å; W108-L130 PolarHBondContact O-N 2.92Å; F110-L130 HydrophobicContact CD2-CD2 4.4Å; F110-L130 HydrophobicContact CE2-CD2 3.82Å; L130-M132 HydrophobicContact CB-CE 3.98Å; L130-M132 HydrophobicContact CD2-CE 3.86Å; L130-M132 HydrophobicContact CG-CE 3.71Å; L130-M132 WeakPolarHBondContact O-CE 3.24Å; L130-F135 HydrophobicContact CD1-CE2 3.62Å; L130-F135 HydrophobicContact CD1-CZ 3.9Å; L130-F135 HydrophobicContact CD2-CE2 4.05Å; L130-F135 HydrophobicContact CG-CE2 3.77Å; L130-F135 HydrophobicContact CG-CZ 4.45Å; L130-L146 HydrophobicContact CD1-CD1 4.28Å; L130-L146 HydrophobicContact CD2-CD1 3.88Å; L130-L148 HydrophobicContact CD1-CD2 4.3Å; L130-L166 HydrophobicContact CD2-CD2 4.08Å
131N93.4Very high84.9Confident37 Ų3759.3 Ų59.320%0.19832%0.316CS..EExtended strand (participates in β ladder)trans-90120-177.8-172.3-6.5000110.3D105 K106 R133 M134D105-N131 PolarHBondContact OD1-ND2 3.49Å; K106-N131 PolarHBondContact N-OD1 3.27Å; N131-R133 VanDerWaalsContact C-N 3.29Å; N131-R133 VanDerWaalsContact ND2-CD 3.32Å; N131-R133 WeakPolarHBondContact ND2-CD 3.43Å; N131-R133 PolarHBondContact O-N 2.92Å; N131-R133 PolarHBondContact OD1-N 3.08Å; N131-M134 HydrophobicContact CB-CG 4.34Å; N131-M134 WeakPolarHBondContact O-CG 3.46Å; N131-M134 PolarHBondContact O-N 3.01Å
132M91Very high85.4Confident5 Ų555.3 Ų55.33%0.02531%0.307CS..G310 helixtrans-69.4-22.5-171-64.2-64.69400114.1W45 L94 K106 W108 L130 M134 F135 A136W45-M132 HydrophobicContact CH2-SD 4.22Å; W45-M132 HydrophobicContact CZ2-CE 3.75Å; W45-M132 HydrophobicContact CZ2-SD 3.83Å; L94-M132 HydrophobicContact CD1-CB 4.27Å; L94-M132 HydrophobicContact CD2-CB 3.94Å; K106-M132 WeakPolarHBondContact O-CG 3.45Å; K106-M132 PolarHBondContact O-N 3.26Å; W108-M132 HydrophobicContact CB-CE 4.43Å; W108-M132 VanDerWaalsContact CD1-CG 3.41Å; W108-M132 HydrophobicContact CG-CG 4.25Å; W108-M132 HydrophobicContact CG-SD 4.46Å; L130-M132 HydrophobicContact CB-CE 3.98Å; L130-M132 HydrophobicContact CD2-CE 3.86Å; L130-M132 HydrophobicContact CG-CE 3.71Å; L130-M132 WeakPolarHBondContact O-CE 3.24Å; M132-M134 PolarHBondContact O-N 2.8Å; M132-F135 PolarHBondContact O-N 3.22Å; M132-F135 VanDerWaalsContact O-N 3.16Å; M132-A136 PolarHBondContact O-N 3.44Å
133R90.1Very high85.4Confident58 Ų5855.7 Ų55.722%0.21931%0.31CS..G310 helixtrans-59-32.3177.881.5-159.9-60.9-144-9.8112.7E102 F103 D105 N131 F135 A136E102-R133 IonicContact OE1-CZ 3.08Å; E102-R133 VanDerWaalsContact OE1-CZ 3.27Å; E102-R133 IonicContact OE1-NE 3.37Å; E102-R133 IonicContact OE1-NH1 3.25Å; E102-R133 IonicContact OE1-NH2 2.96Å; E102-R133 PolarHBondContact OE1-NH2 2.84Å; E102-R133 IonicContact OE2-NH2 2.73Å; F103-R133 HydrophobicContact CB-CB 4.25Å; F103-R133 VanDerWaalsContact O-CZ 3.24Å; F103-R133 PolarHBondContact O-NE 3.22Å; F103-R133 PolarHBondContact O-NH2 3.5Å; D105-R133 WeakPolarHBondContact OD1-CD 3.42Å; D105-R133 IonicContact OD1-CZ 3.96Å; D105-R133 IonicContact OD1-NE 2.69Å; D105-R133 PolarHBondContact OD1-NE 2.83Å; D105-R133 IonicContact OD1-NH1 2.67Å; D105-R133 PolarHBondContact OD1-NH1 3.39Å; D105-R133 IonicContact OD2-NH1 3.68Å; D105-R133 PolarHBondContact OD2-NH1 2.87Å; N131-R133 VanDerWaalsContact C-N 3.29Å; N131-R133 VanDerWaalsContact ND2-CD 3.32Å; N131-R133 WeakPolarHBondContact ND2-CD 3.43Å; N131-R133 PolarHBondContact O-N 2.92Å; N131-R133 PolarHBondContact OD1-N 3.08Å; R133-F135 PolarHBondContact O-N 3.44Å; R133-F135 VanDerWaalsContact O-N 3.14Å; R133-A136 WeakPolarHBondContact O-CB 3.42Å; R133-A136 PolarHBondContact O-N 3.35Å
134M89.1Confident85.4Confident129 Ų12950.5 Ų50.564%0.63530%0.296SS*.G310 helixtrans-61.5-24-178.7-56.4-56.6-62.200112.9N131 M132N131-M134 HydrophobicContact CB-CG 4.34Å; N131-M134 WeakPolarHBondContact O-CG 3.46Å; N131-M134 PolarHBondContact O-N 3.01Å; M132-M134 PolarHBondContact O-N 2.8Å
135F89.2Confident85.4Confident18 Ų1852.1 Ų52.18%0.07930%0.299CS..G310 helixtrans-113.93-176.2-50.1-76.7000112.4L130 M132 R133 E138 L146 L166 C168L130-F135 HydrophobicContact CD1-CE2 3.62Å; L130-F135 HydrophobicContact CD1-CZ 3.9Å; L130-F135 HydrophobicContact CD2-CE2 4.05Å; L130-F135 HydrophobicContact CG-CE2 3.77Å; L130-F135 HydrophobicContact CG-CZ 4.45Å; M132-F135 PolarHBondContact O-N 3.22Å; M132-F135 VanDerWaalsContact O-N 3.16Å; R133-F135 PolarHBondContact O-N 3.44Å; R133-F135 VanDerWaalsContact O-N 3.14Å; F135-E138 WeakPolarHBondContact CD1-OE1 3.45Å; F135-L146 HydrophobicContact CE1-CD1 3.9Å; F135-L146 HydrophobicContact CE1-CD2 3.93Å; F135-L146 HydrophobicContact CE1-CG 4.37Å; F135-L146 HydrophobicContact CE2-CD1 4.39Å; F135-L146 HydrophobicContact CZ-CD1 3.63Å; F135-L146 HydrophobicContact CZ-CD2 3.89Å; F135-L146 HydrophobicContact CZ-CG 4.38Å; F135-L166 HydrophobicContact CB-CD2 4.12Å; F135-L166 HydrophobicContact CD1-CD2 3.83Å; F135-L166 HydrophobicContact CD2-CD2 3.57Å; F135-L166 HydrophobicContact CE1-CD2 4.17Å; F135-L166 HydrophobicContact CE2-CD2 3.94Å; F135-L166 HydrophobicContact CG-CD2 3.52Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; F135-C168 HydrophobicContact CB-CB 4.44Å; F135-C168 WeakPolarHBondContact O-CB 3.46Å; F135-C168 PolarHBondContact O-SG 3.33Å
136A83.6Confident85.4Confident10 Ų1053.4 Ų53.48%0.08331%0.306CS..THydrogen-bonded Turntrans-79.3-26.8-176.900000113.1F19 L94 F103 M132 R133F19-A136 HydrophobicContact CE1-CB 4.32Å; F19-A136 WeakPolarHBondContact CE1-O 3.42Å; F19-A136 HydrophobicContact CE2-CB 4.24Å; F19-A136 HydrophobicContact CZ-CB 3.82Å; L94-A136 HydrophobicContact CD1-CB 3.51Å; F103-A136 HydrophobicContact CD2-CB 3.51Å; F103-A136 HydrophobicContact CE2-CB 3.85Å; F103-A136 HydrophobicContact CG-CB 4.21Å; M132-A136 PolarHBondContact O-N 3.44Å; R133-A136 WeakPolarHBondContact O-CB 3.42Å; R133-A136 PolarHBondContact O-N 3.35Å
137N72Confident85.3Confident102 Ų10258.5 Ų58.555%0.54533%0.328SS..SBendtrans-1036.4-176.6-68.63.3000113F103F103-N137 WeakPolarHBondContact CD2-OD1 3.46Å; F103-N137 VanDerWaalsContact CE2-OD1 3.31Å; F103-N137 WeakPolarHBondContact CE2-OD1 3.26Å
138E71.8Confident85.2Confident53 Ų5358.4 Ų58.425%0.24833%0.326CS..SBendtrans-71.9154.4169.9-61.5-169.4-169.800111.3F135 T142 S144F135-E138 WeakPolarHBondContact CD1-OE1 3.45Å; E138-T142 VanDerWaalsContact CB-OG1 3.29Å; E138-T142 WeakPolarHBondContact CB-OG1 3.46Å; E138-T142 WeakPolarHBondContact OE2-CB 3.4Å; E138-T142 PolarHBondContact OE2-OG1 2.69Å; E138-S144 VanDerWaalsContact CD-OG 3.29Å; E138-S144 WeakPolarHBondContact OE1-CB 3.42Å; E138-S144 PolarHBondContact OE1-OG 3.29Å; E138-S144 PolarHBondContact OE2-OG 3.01Å
139A64.7Low85.2Confident65 Ų6563.3 Ų63.354%0.53735%0.346SS..  trans-67.5134.1179.900000111G141 T142A139-G141 PolarHBondContact O-N 3.02Å; A139-T142 HydrophobicContact CB-CG2 4.19Å; A139-T142 WeakPolarHBondContact O-CG2 3.46Å; A139-T142 PolarHBondContact O-N 3.07Å; A139-T142 PolarHBondContact O-OG1 2.86Å; A139-T142 VanDerWaalsContact O-OG1 3.05Å
140P66.6Low85.2Confident113 Ų11357.6 Ų57.673%0.73432%0.322SS*.THydrogen-bonded Turntrans-59.9116-173.823.5-33.9000111.4
141G65.6Low85.2Confident62 Ų6265.7 Ų65.764%0.63935%0.351SS*.THydrogen-bonded Turntrans108.9-4.9-175.300000115.3A139A139-G141 PolarHBondContact O-N 3.02Å
142T80.1Confident85.2Confident54 Ų5466.7 Ų66.733%0.33136%0.36SS..  trans-64.4155.2163.455.40000111E138 A139 G167E138-T142 VanDerWaalsContact CB-OG1 3.29Å; E138-T142 WeakPolarHBondContact CB-OG1 3.46Å; E138-T142 WeakPolarHBondContact OE2-CB 3.4Å; E138-T142 PolarHBondContact OE2-OG1 2.69Å; A139-T142 HydrophobicContact CB-CG2 4.19Å; A139-T142 WeakPolarHBondContact O-CG2 3.46Å; A139-T142 PolarHBondContact O-N 3.07Å; A139-T142 PolarHBondContact O-OG1 2.86Å; A139-T142 VanDerWaalsContact O-OG1 3.05Å; T142-G167 WeakPolarHBondContact O-CA 3.47Å
143M84.8Confident85.3Confident64 Ų6470.6 Ų70.632%0.31538%0.38SS..EExtended strand (participates in β ladder)trans-132.3113.6166.4-59.4-160.38100109R24 L165 L166R24-M143 HydrophobicContact CG-CE 4.35Å; R24-M143 PolarHBondContact NH1-SD 3.09Å; M143-L165 HydrophobicContact CB-CB 4.39Å; M143-L165 HydrophobicContact CB-CD2 4.05Å; M143-L165 HydrophobicContact CE-CB 4.1Å; M143-L166 CarbonylContact C-O 3.55Å; M143-L166 WeakPolarHBondContact CA-O 3.46Å
144S89.2Confident85.3Confident36 Ų3671.2 Ų71.225%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-85.1129.4179.7-91.60000111.1E138 L165 L166E138-S144 VanDerWaalsContact CD-OG 3.29Å; E138-S144 WeakPolarHBondContact OE1-CB 3.42Å; E138-S144 PolarHBondContact OE1-OG 3.29Å; E138-S144 PolarHBondContact OE2-OG 3.01Å; S144-L165 WeakPolarHBondContact O-CA 3.4Å; S144-L166 PolarHBondContact N-O 3.32Å; S144-L166 PolarHBondContact O-N 3.18Å
145M91.7Very high85.2Confident104 Ų10472.6 Ų72.651%0.51239%0.388SS..EExtended strand (participates in β ladder)trans-79.5124.4176-172.268.487.100110.2I26 E163 L165I26-M145 HydrophobicContact CD1-CE 3.64Å; I26-M145 HydrophobicContact CD1-SD 3.49Å; I26-M145 WeakPolarHBondContact CD1-SD 3.47Å; M145-E163 HydrophobicContact SD-CG 3.93Å; M145-L165 HydrophobicContact CB-CD2 4.15Å; M145-L165 HydrophobicContact CE-CD1 4.48Å; M145-L165 HydrophobicContact CE-CD2 3.97Å; M145-L165 HydrophobicContact CE-CG 4.09Å; M145-L165 HydrophobicContact SD-CD2 3.95Å; M145-L165 HydrophobicContact SD-CG 3.95Å
146L92.8Very high85.2Confident29 Ų2972.4 Ų72.415%0.15239%0.389CS..EExtended strand (participates in β ladder)trans-128.1119-175.8-63178000110.8L130 F135 L148 E163 L164 L166L130-L146 HydrophobicContact CD1-CD1 4.28Å; L130-L146 HydrophobicContact CD2-CD1 3.88Å; F135-L146 HydrophobicContact CE1-CD1 3.9Å; F135-L146 HydrophobicContact CE1-CD2 3.93Å; F135-L146 HydrophobicContact CE1-CG 4.37Å; F135-L146 HydrophobicContact CE2-CD1 4.39Å; F135-L146 HydrophobicContact CZ-CD1 3.63Å; F135-L146 HydrophobicContact CZ-CD2 3.89Å; F135-L146 HydrophobicContact CZ-CG 4.38Å; L146-L148 HydrophobicContact CB-CD2 4.33Å; L146-E163 VanDerWaalsContact O-CA 3.3Å; L146-E163 WeakPolarHBondContact O-CA 3.44Å; L146-L164 HydrophobicContact CB-CD1 4.19Å; L146-L164 HydrophobicContact CB-CG 4.38Å; L146-L164 HydrophobicContact CD1-CD1 4.12Å; L146-L164 PolarHBondContact N-O 3.49Å; L146-L164 PolarHBondContact O-N 2.85Å; L146-L166 HydrophobicContact CD1-CB 3.89Å; L146-L166 HydrophobicContact CD1-CD2 4.06Å
147K94.6Very high85.5Confident106 Ų10672.3 Ų72.346%0.46139%0.386SS..EExtended strand (participates in β ladder)trans-105.487.3172-161.8177.8-161700110.3E27 T161 L162 E163E27-K147 IonicContact OE2-NZ 3.37Å; E27-K147 PolarHBondContact OE2-NZ 3.34Å; K147-T161 HydrophobicContact CD-CG2 4.21Å; K147-T161 HydrophobicContact CG-CG2 3.63Å; K147-L162 CarbonylContact C-O 3.45Å; K147-E163 HydrophobicContact CB-CG 4.37Å; K147-E163 WeakPolarHBondContact CD-OE2 3.18Å; K147-E163 WeakPolarHBondContact CE-OE2 3.48Å; K147-E163 HydrophobicContact CG-CB 4.26Å; K147-E163 HydrophobicContact CG-CG 4.45Å; K147-E163 WeakPolarHBondContact CG-OE2 3.31Å; K147-E163 IonicContact NZ-OE2 2.83Å; K147-E163 PolarHBondContact NZ-OE2 3.21Å
148L94.4Very high86.4Confident22 Ų2273.2 Ų73.212%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-75.8123.7-175.2-55.8179.5000111F110 A128 L130 L146 M150 T161 L162 L164F110-L148 HydrophobicContact CD2-CD1 3.7Å; F110-L148 HydrophobicContact CE2-CD1 4.26Å; F110-L148 HydrophobicContact CG-CD1 4.45Å; A128-L148 HydrophobicContact CB-CB 4.27Å; A128-L148 HydrophobicContact CB-CD1 4.42Å; L130-L148 HydrophobicContact CD1-CD2 4.3Å; L146-L148 HydrophobicContact CB-CD2 4.33Å; L148-M150 HydrophobicContact CB-SD 3.89Å; L148-T161 VanDerWaalsContact O-CA 3.32Å; L148-T161 WeakPolarHBondContact O-CA 3.48Å; L148-L162 PolarHBondContact N-O 3.17Å; L148-L162 PolarHBondContact O-N 3.34Å; L148-L164 HydrophobicContact CD1-CD2 4.15Å
149Q95.1Very high87.4Confident114 Ų11475.4 Ų75.453%0.53340%0.396SS..EExtended strand (participates in β ladder)trans-80.6116.2164.8-66.2-58.2-64.300108.6T161Q149-T161 PolarHBondContact NE2-OG1 3.42Å; Q149-T161 PolarHBondContact OE1-OG1 3.47Å
150M95.8Very high88.8Confident10 Ų1072.3 Ų72.35%0.04937%0.371CS..EExtended strand (participates in β ladder)trans-89.6129.8-174.7-48-65.4-79.100109.8F110 V112 A126 S127 A128 L148 C160 L162F110-M150 HydrophobicContact CB-CE 3.98Å; V112-M150 HydrophobicContact CG2-CE 4.03Å; A126-M150 HydrophobicContact CB-CB 3.75Å; S127-M150 CarbonylContact O-C 3.58Å; A128-M150 HydrophobicContact CB-CE 3.96Å; A128-M150 HydrophobicContact CB-SD 3.36Å; A128-M150 WeakPolarHBondContact CB-SD 3.47Å; L148-M150 HydrophobicContact CB-SD 3.89Å; M150-C160 HydrophobicContact CB-CB 3.94Å; M150-C160 HydrophobicContact CG-CB 4.32Å; M150-C160 PolarHBondContact N-O 2.88Å; M150-L162 HydrophobicContact CE-CD2 4.42Å; M150-L162 HydrophobicContact CG-CB 4.32Å; M150-L162 HydrophobicContact SD-CB 3.99Å
151R94.8Very high90.2Very high188 Ų18867.2 Ų67.271%0.70934%0.337SS*.EExtended strand (participates in β ladder)trans-65.1126.3171.5176.4178.1175.2169.8-0.6108.9A126 S127A126-R151 CarbonylContact C-O 3.59Å; A126-R151 VanDerWaalsContact CA-O 3.23Å; A126-R151 WeakPolarHBondContact CA-O 3.45Å; S127-R151 PolarHBondContact N-O 3.09Å; S127-R151 WeakPolarHBondContact O-CB 3.16Å; S127-R151 PolarHBondContact O-N 3.12Å
152P93.4Very high91.6Very high59 Ų5964.2 Ų64.238%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-67.5135.917328.1-33.5000110.4L157P152-L157 HydrophobicContact CB-CB 4.28Å; P152-L157 HydrophobicContact CB-CD2 4.04Å; P152-L157 HydrophobicContact CB-CG 4.28Å
153L91.9Very high92.2Very high87 Ų8763.6 Ų63.646%0.45530%0.3SS..SBendtrans-104.8-15.2173.7-60.1174.6000111.8P124 I125P124-L153 HydrophobicContact CB-CD1 3.88Å; I125-L153 PolarHBondContact O-N 2.83Å
154R89.8Confident92.6Very high71 Ų7160.6 Ų60.627%0.26829%0.285SS..SBendtrans-115.6130178.6-170.5-173.7-170.6136.2-4.7110W36 E114 I125 S156 L157W36-R154 VanDerWaalsContact NE1-CZ 3.26Å; E114-R154 IonicContact OE1-CZ 3.14Å; E114-R154 IonicContact OE1-NH1 3.28Å; E114-R154 PolarHBondContact OE1-NH1 2.77Å; E114-R154 IonicContact OE1-NH2 2.73Å; E114-R154 IonicContact OE2-CZ 2.75Å; E114-R154 IonicContact OE2-NH1 3.6Å; E114-R154 PolarHBondContact OE2-NH1 2.84Å; E114-R154 IonicContact OE2-NH2 3.67Å; I125-R154 PolarHBondContact O-N 3.4Å; R154-S156 VanDerWaalsContact CD-OG 3.28Å; R154-S156 WeakPolarHBondContact CD-OG 3.39Å; R154-S156 WeakPolarHBondContact CG-OG 3.35Å; R154-S156 PolarHBondContact NE-OG 3.24Å; R154-S156 VanDerWaalsContact NE-OG 3.13Å; R154-S156 PolarHBondContact O-N 3.43Å; R154-S156 VanDerWaalsContact O-N 3.12Å; R154-L157 WeakPolarHBondContact O-CB 3.41Å; R154-L157 PolarHBondContact O-N 3.26Å
155E87.4Confident92.7Very high158 Ų15861 Ų6174%0.73829%0.285SS*.THydrogen-bonded Turntrans-56.6-30.1-178.2-52.2177.5132.600114.1L157 R756E155-L157 VanDerWaalsContact C-N 3.26Å; E155-L157 PolarHBondContact O-N 3.49Å; E155-R756 IonicContact OE2-NH1 2.63Å
156S89.2Confident92.7Very high14 Ų1456.2 Ų56.210%0.09826%0.261CS..THydrogen-bonded Turntrans-834-179.359.80000114.1S33 R154S33-S156 WeakPolarHBondContact CB-O 3.32Å; S33-S156 PolarHBondContact N-O 3.37Å; S33-S156 WeakPolarHBondContact OG-CB 3.27Å; S33-S156 PolarHBondContact OG-O 3.2Å; R154-S156 VanDerWaalsContact CD-OG 3.28Å; R154-S156 WeakPolarHBondContact CD-OG 3.39Å; R154-S156 WeakPolarHBondContact CG-OG 3.35Å; R154-S156 PolarHBondContact NE-OG 3.24Å; R154-S156 VanDerWaalsContact NE-OG 3.13Å; R154-S156 PolarHBondContact O-N 3.43Å; R154-S156 VanDerWaalsContact O-N 3.12Å
157L90.7Very high92.6Very high7 Ų755.2 Ų55.24%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-103.7119.3173.9-17970.3000109.2I30 E31 W36 I125 A126 P152 R154 E155 C160I30-L157 HydrophobicContact CG2-CD1 3.69Å; E31-L157 WeakPolarHBondContact O-CD1 3.3Å; W36-L157 HydrophobicContact CZ3-CB 4.06Å; W36-L157 HydrophobicContact CZ3-CD1 4.27Å; I125-L157 HydrophobicContact CB-CD2 4.48Å; I125-L157 VanDerWaalsContact O-CD2 3.22Å; I125-L157 WeakPolarHBondContact O-CD2 3.39Å; A126-L157 HydrophobicContact CB-CD2 3.74Å; P152-L157 HydrophobicContact CB-CB 4.28Å; P152-L157 HydrophobicContact CB-CD2 4.04Å; P152-L157 HydrophobicContact CB-CG 4.28Å; R154-L157 WeakPolarHBondContact O-CB 3.41Å; R154-L157 PolarHBondContact O-N 3.26Å; E155-L157 VanDerWaalsContact C-N 3.26Å; E155-L157 PolarHBondContact O-N 3.49Å; L157-C160 HydrophobicContact CD1-CB 4.5Å; L157-C160 HydrophobicContact CD2-CB 4.02Å
158Q90.2Very high92.3Very high121 Ų12150.7 Ų50.757%0.56524%0.239SC*.EExtended strand (participates in β ladder)trans-84.9-42.8-177.8-61.2-172.5-8.300111.8E31E31-Q158 HydrophobicContact CG-CB 4.34Å; E31-Q158 PolarHBondContact O-N 2.82Å
159K92.3Very high92.1Very high99 Ų9951.9 Ų51.943%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-153147-179.9-173.6-176.4175.3-172.10110.8E31E31-K159 HydrophobicContact CB-CB 3.98Å; E31-K159 PolarHBondContact N-O 3.03Å; E31-K159 PolarHBondContact O-N 2.85Å; E31-K159 VanDerWaalsContact O-N 3.16Å
160C94.9Very high91.8Very high1 Ų150.1 Ų50.11%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-141.3140.5168.3177.20000110.3V29 A126 M150 L157V29-C160 CarbonylContact O-C 3.57Å; V29-C160 VanDerWaalsContact O-CA 3.31Å; V29-C160 WeakPolarHBondContact O-CA 3.46Å; A126-C160 HydrophobicContact CB-CB 3.88Å; M150-C160 HydrophobicContact CB-CB 3.94Å; M150-C160 HydrophobicContact CG-CB 4.32Å; M150-C160 PolarHBondContact N-O 2.88Å; L157-C160 HydrophobicContact CD1-CB 4.5Å; L157-C160 HydrophobicContact CD2-CB 4.02Å
161T95.8Very high91.5Very high5 Ų553.5 Ų53.53%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-141.7129.4-178.4-62.10000109.8L28 V29 K147 L148 Q149L28-T161 WeakPolarHBondContact CA-O 3.24Å; V29-T161 PolarHBondContact N-O 3.15Å; V29-T161 PolarHBondContact O-N 2.91Å; K147-T161 HydrophobicContact CD-CG2 4.21Å; K147-T161 HydrophobicContact CG-CG2 3.63Å; L148-T161 VanDerWaalsContact O-CA 3.32Å; L148-T161 WeakPolarHBondContact O-CA 3.48Å; Q149-T161 PolarHBondContact NE2-OG1 3.42Å; Q149-T161 PolarHBondContact OE1-OG1 3.47Å
162L94.4Very high91.1Very high0 Ų049.2 Ų49.20%025%0.249CC..EExtended strand (participates in β ladder)trans-119.1120.2179.8179.265.9000109.7F25 E27 L28 V43 W80 K147 L148 M150 L164F25-L162 HydrophobicContact CD1-CD1 4.01Å; F25-L162 HydrophobicContact CD1-CD2 4.3Å; F25-L162 HydrophobicContact CD1-CG 4.47Å; F25-L162 HydrophobicContact CE1-CD2 4.22Å; E27-L162 CarbonylContact O-C 3.48Å; E27-L162 WeakPolarHBondContact O-CA 3.46Å; L28-L162 HydrophobicContact CB-CD1 4Å; L28-L162 HydrophobicContact CD1-CB 4.41Å; L28-L162 HydrophobicContact CD1-CD1 4.31Å; V43-L162 HydrophobicContact CG1-CD2 4.05Å; V43-L162 HydrophobicContact CG2-CD1 4.43Å; W80-L162 HydrophobicContact CH2-CD1 4.4Å; W80-L162 HydrophobicContact CZ3-CD1 4.32Å; K147-L162 CarbonylContact C-O 3.45Å; L148-L162 PolarHBondContact N-O 3.17Å; L148-L162 PolarHBondContact O-N 3.34Å; M150-L162 HydrophobicContact CE-CD2 4.42Å; M150-L162 HydrophobicContact CG-CB 4.32Å; M150-L162 HydrophobicContact SD-CB 3.99Å; L162-L164 HydrophobicContact CD2-CD2 3.97Å; L162-L164 HydrophobicContact CG-CD2 4.23Å
163E93.7Very high90.7Very high41 Ų4150.3 Ų50.319%0.19225%0.249CC..EExtended strand (participates in β ladder)trans-101.7130.1171.2-165.8158.612800110.9I26 E27 M145 L146 K147I26-E163 PolarHBondContact N-O 2.97Å; E27-E163 HydrophobicContact CB-CB 4.08Å; E27-E163 PolarHBondContact N-O 3.31Å; E27-E163 PolarHBondContact O-N 2.87Å; M145-E163 HydrophobicContact SD-CG 3.93Å; L146-E163 VanDerWaalsContact O-CA 3.3Å; L146-E163 WeakPolarHBondContact O-CA 3.44Å; K147-E163 HydrophobicContact CB-CG 4.37Å; K147-E163 WeakPolarHBondContact CD-OE2 3.18Å; K147-E163 WeakPolarHBondContact CE-OE2 3.48Å; K147-E163 HydrophobicContact CG-CB 4.26Å; K147-E163 HydrophobicContact CG-CG 4.45Å; K147-E163 WeakPolarHBondContact CG-OE2 3.31Å; K147-E163 IonicContact NZ-OE2 2.83Å; K147-E163 PolarHBondContact NZ-OE2 3.21Å
164L92.3Very high90.4Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-149.7155.2-178.166.686.6000112.2A23 R24 F25 F110 L146 L148 L162 L166A23-L164 HydrophobicContact CB-CD1 4.41Å; R24-L164 CarbonylContact O-C 3.54Å; R24-L164 WeakPolarHBondContact O-CA 3.31Å; R24-L164 VanDerWaalsContact O-CB 3.29Å; R24-L164 WeakPolarHBondContact O-CB 3.23Å; F25-L164 HydrophobicContact CD1-CB 4.01Å; F25-L164 HydrophobicContact CD1-CD2 4.15Å; F25-L164 HydrophobicContact CE1-CD2 4.06Å; F110-L164 HydrophobicContact CD2-CD2 4.33Å; F110-L164 HydrophobicContact CE1-CD2 4.27Å; F110-L164 HydrophobicContact CE2-CD2 3.83Å; F110-L164 HydrophobicContact CZ-CD2 3.81Å; L146-L164 HydrophobicContact CB-CD1 4.19Å; L146-L164 HydrophobicContact CB-CG 4.38Å; L146-L164 HydrophobicContact CD1-CD1 4.12Å; L146-L164 PolarHBondContact N-O 3.49Å; L146-L164 PolarHBondContact O-N 2.85Å; L148-L164 HydrophobicContact CD1-CD2 4.15Å; L162-L164 HydrophobicContact CD2-CD2 3.97Å; L162-L164 HydrophobicContact CG-CD2 4.23Å; L164-L166 HydrophobicContact CD1-CB 3.91Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å
165L91.1Very high90.1Very high46 Ų4647.5 Ų47.524%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-96.7123.2165.8-78.9164.1000109.6R24 I26 M143 S144 M145R24-L165 HydrophobicContact CB-CB 4.41Å; R24-L165 PolarHBondContact N-O 3.15Å; R24-L165 PolarHBondContact O-N 3.08Å; I26-L165 HydrophobicContact CD1-CD1 3.94Å; I26-L165 HydrophobicContact CD1-CG 3.79Å; M143-L165 HydrophobicContact CB-CB 4.39Å; M143-L165 HydrophobicContact CB-CD2 4.05Å; M143-L165 HydrophobicContact CE-CB 4.1Å; S144-L165 WeakPolarHBondContact O-CA 3.4Å; M145-L165 HydrophobicContact CB-CD2 4.15Å; M145-L165 HydrophobicContact CE-CD1 4.48Å; M145-L165 HydrophobicContact CE-CD2 3.97Å; M145-L165 HydrophobicContact CE-CG 4.09Å; M145-L165 HydrophobicContact SD-CD2 3.95Å; M145-L165 HydrophobicContact SD-CG 3.95Å
166L92.2Very high89.7Confident2 Ų241 Ų411%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-106.7118.7176.9-164.279.6000110.4V21 A23 W45 L130 F135 M143 S144 L146 L164V21-L166 HydrophobicContact CG1-CD1 3.84Å; V21-L166 HydrophobicContact CG1-CD2 4.21Å; V21-L166 HydrophobicContact CG1-CG 3.92Å; A23-L166 HydrophobicContact CB-CD1 3.95Å; W45-L166 HydrophobicContact CH2-CD1 3.75Å; W45-L166 HydrophobicContact CZ2-CD1 4.27Å; L130-L166 HydrophobicContact CD2-CD2 4.08Å; F135-L166 HydrophobicContact CB-CD2 4.12Å; F135-L166 HydrophobicContact CD1-CD2 3.83Å; F135-L166 HydrophobicContact CD2-CD2 3.57Å; F135-L166 HydrophobicContact CE1-CD2 4.17Å; F135-L166 HydrophobicContact CE2-CD2 3.94Å; F135-L166 HydrophobicContact CG-CD2 3.52Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; M143-L166 CarbonylContact C-O 3.55Å; M143-L166 WeakPolarHBondContact CA-O 3.46Å; S144-L166 PolarHBondContact N-O 3.32Å; S144-L166 PolarHBondContact O-N 3.18Å; L146-L166 HydrophobicContact CD1-CB 3.89Å; L146-L166 HydrophobicContact CD1-CD2 4.06Å; L164-L166 HydrophobicContact CD1-CB 3.91Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å
167G89.7Confident89.2Confident9 Ų943.1 Ų43.19%0.09324%0.242CC..EExtended strand (participates in β ladder)trans-108.3139.1171.900000111.9V21 V22 T142V21-G167 WeakPolarHBondContact CA-O 3.29Å; V21-G167 WeakPolarHBondContact CG1-O 3.34Å; V22-G167 PolarHBondContact N-O 2.86Å; V22-G167 PolarHBondContact O-N 3.18Å; T142-G167 WeakPolarHBondContact O-CA 3.47Å
168C90Very high88.1Confident11 Ų1146.1 Ų46.17%0.07426%0.258CS..EExtended strand (participates in β ladder)trans-120.9137.5-179.7-162.80000110.7F19 F135F19-C168 WeakPolarHBondContact CD1-SG 3.5Å; F135-C168 HydrophobicContact CB-CB 4.44Å; F135-C168 WeakPolarHBondContact O-CB 3.46Å; F135-C168 PolarHBondContact O-SG 3.33Å
169T89.3Confident87.3Confident47 Ų4743.9 Ų43.929%0.28825%0.25SC..EExtended strand (participates in β ladder)trans-144.2135.1-179.151.30000111.3F19 R20F19-T169 CarbonylContact C-O 3.6Å; F19-T169 VanDerWaalsContact CA-O 3.26Å; F19-T169 WeakPolarHBondContact CA-O 3.37Å; R20-T169 WeakPolarHBondContact CB-OG1 3.3Å; R20-T169 WeakPolarHBondContact CG-OG1 3.42Å; R20-T169 PolarHBondContact N-O 3.07Å; R20-T169 PolarHBondContact O-N 2.95Å; R20-T169 PolarHBondContact O-OG1 2.97Å; R20-T169 VanDerWaalsContact O-OG1 3.04Å
170V89.9Confident86.4Confident77 Ų7739.9 Ų39.947%0.46723%0.233SC..EExtended strand (participates in β ladder)trans-76.7133.7175.5178.70000110T17 F19T17-V170 HydrophobicContact CG2-CG1 3.81Å; T17-V170 HydrophobicContact CG2-CG2 4.14Å; F19-V170 HydrophobicContact CD1-CG2 3.9Å; F19-V170 HydrophobicContact CE1-CG2 3.51Å; F19-V170 HydrophobicContact CZ-CG2 4.21Å
171L87.7Confident85.3Confident81 Ų8140.7 Ų40.742%0.42424%0.237SC..EExtended strand (participates in β ladder)trans-104.4-39.9173.2-61.5178.6000112.8K18 R20 V91K18-L171 HydrophobicContact CB-CB 4.44Å; K18-L171 WeakPolarHBondContact O-CB 3.47Å; K18-L171 PolarHBondContact O-N 3.33Å; R20-L171 HydrophobicContact CB-CD1 3.92Å; R20-L171 HydrophobicContact CB-CD2 3.85Å; R20-L171 HydrophobicContact CB-CG 3.87Å; V91-L171 HydrophobicContact CG1-CD1 3.97Å; V91-L171 HydrophobicContact CG2-CD1 4.07Å
172K86.4Confident83.8Confident98 Ų9845.5 Ų45.543%0.42626%0.255SS..EExtended strand (participates in β ladder)trans-155.4140-178-177.3-173.2177.4-167.20109.2T17 K18T17-K172 CarbonylContact C-O 3.55Å; T17-K172 WeakPolarHBondContact CA-O 3.47Å; K18-K172 HydrophobicContact CB-CB 4.32Å; K18-K172 PolarHBondContact N-O 3.21Å; K18-K172 PolarHBondContact O-N 2.67Å
173E86.3Confident81.6Confident81 Ų8147.7 Ų47.738%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-128.9145.1169.5-178.2168.3-17400109.5R15 A16 T17 R96R15-E173 IonicContact CZ-OE1 3.79Å; R15-E173 IonicContact NH1-OE1 2.71Å; R15-E173 PolarHBondContact NH1-OE1 2.81Å; R15-E173 VanDerWaalsContact NH1-OE1 3.07Å; R15-E173 VanDerWaalsContact NH2-CD 3.3Å; R15-E173 IonicContact NH2-OE1 2.59Å; R15-E173 PolarHBondContact NH2-OE1 3.1Å; A16-E173 CarbonylContact O-C 3.56Å; A16-E173 WeakPolarHBondContact O-CA 3.37Å; T17-E173 HydrophobicContact CG2-CB 4.25Å; T17-E173 WeakPolarHBondContact OG1-CG 3.37Å; R96-E173 IonicContact CZ-OE1 3.8Å; R96-E173 IonicContact NE-OE1 3.87Å; R96-E173 IonicContact NH2-OE1 3.73Å; R96-E173 PolarHBondContact NH2-OE1 3.46Å
174G85.9Confident79.2Confident26 Ų2650.7 Ų50.727%0.26829%0.286SS..EExtended strand (participates in β ladder)trans-177.7-167-179.800000113.7R15 A16R15-G174 CarbonylContact C-O 3.58Å; R15-G174 WeakPolarHBondContact CA-O 3.42Å; A16-G174 PolarHBondContact N-O 2.73Å; A16-G174 PolarHBondContact O-N 2.81Å
175A82.3Confident76.6Confident74 Ų7453 Ų5361%0.61231%0.306SS*.EExtended strand (participates in β ladder)trans-70.1153.3162.700000110.1T177A175-T177 PolarHBondContact O-N 2.96Å
176A80.5Confident74.2Confident22 Ų2253.3 Ų53.318%0.18231%0.312CS..  trans-63.6102.2176.200000111.8H11 K14 A16 Y95H11-A176 HydrophobicContact CB-CB 4.26Å; K14-A176 WeakPolarHBondContact O-CB 3.35Å; K14-A176 PolarHBondContact O-N 3.38Å; K14-A176 VanDerWaalsContact O-N 3.12Å; A16-A176 HydrophobicContact CB-CB 4.26Å; Y95-A176 HydrophobicContact CD1-CB 4.24Å; Y95-A176 HydrophobicContact CE1-CB 3.8Å
177T76.9Confident71.4Confident57 Ų5759.5 Ų59.535%0.3534%0.339SS..  trans-86.8163.9176.970.40000111.5A175 D179 D180 M181A175-T177 PolarHBondContact O-N 2.96Å; T177-D179 PolarHBondContact O-N 3.04Å; T177-D180 WeakPolarHBondContact CB-OD2 3.28Å; T177-D180 PolarHBondContact N-OD2 2.72Å; T177-D180 WeakPolarHBondContact O-CB 3.27Å; T177-D180 PolarHBondContact O-N 3.17Å; T177-D180 PolarHBondContact OG1-OD2 2.85Å; T177-M181 PolarHBondContact O-N 3.34Å; T177-M181 VanDerWaalsContact O-N 3.12Å
178D69Low68.9Low70 Ų7065.4 Ų65.437%0.37437%0.368SS..Hα-helixtrans-63-26.6177.2-157.953.5000112D180 M181 R182D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 3.42Å; D178-M181 PolarHBondContact O-N 3.11Å; D178-R182 VanDerWaalsContact O-CB 3.24Å; D178-R182 WeakPolarHBondContact O-CB 3.48Å; D178-R182 WeakPolarHBondContact O-CD 3.19Å; D178-R182 WeakPolarHBondContact O-CG 3.35Å; D178-R182 PolarHBondContact O-N 3.09Å; D178-R182 IonicContact OD2-CZ 2.68Å; D178-R182 IonicContact OD2-NE 3.54Å; D178-R182 PolarHBondContact OD2-NE 3.21Å; D178-R182 IonicContact OD2-NH2 3.89Å; D178-R182 PolarHBondContact OD2-NH2 3.33Å
179D72.1Confident66.3Low75 Ų7569 Ų6940%0.40139%0.393SS..Hα-helixtrans-67.5-27.2170.3174.563.8000113.6K18 T177K18-D179 IonicContact NZ-OD2 3.67Å; K18-D179 PolarHBondContact NZ-OD2 2.99Å; T177-D179 PolarHBondContact O-N 3.04Å
180D74.5Confident63.8Low14 Ų1471.1 Ų71.18%0.07541%0.409CS..Hα-helixtrans-78-37.4172.9-61-66.3000111.6A16 K18 T93 Y95 T177 D178A16-D180 HydrophobicContact CB-CB 4.03Å; K18-D180 WeakPolarHBondContact CE-OD1 3.36Å; K18-D180 IonicContact NZ-OD1 2.69Å; T93-D180 HydrophobicContact CG2-CB 4.23Å; Y95-D180 HydrophobicContact CE1-CB 4.45Å; Y95-D180 PolarHBondContact OH-O 3Å; T177-D180 WeakPolarHBondContact CB-OD2 3.28Å; T177-D180 PolarHBondContact N-OD2 2.72Å; T177-D180 WeakPolarHBondContact O-CB 3.27Å; T177-D180 PolarHBondContact O-N 3.17Å; T177-D180 PolarHBondContact OG1-OD2 2.85Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 3.42Å
181M71.8Confident61.3Low18 Ų1872.8 Ų72.89%0.08941%0.412CS..Hα-helixtrans-82-24.8-177.4-64.7-176.5-7400113.1R7 K8 H11 Y95 T177 D178 S183R7-M181 PolarHBondContact NH1-O 3.34Å; K8-M181 HydrophobicContact CB-SD 4.28Å; K8-M181 HydrophobicContact CG-CE 4.08Å; K8-M181 HydrophobicContact CG-SD 4.32Å; H11-M181 HydrophobicContact CB-CG 4.42Å; H11-M181 HydrophobicContact CB-SD 4.02Å; Y95-M181 PolarHBondContact OH-N 3.24Å; T177-M181 PolarHBondContact O-N 3.34Å; T177-M181 VanDerWaalsContact O-N 3.12Å; D178-M181 PolarHBondContact O-N 3.11Å; M181-S183 PolarHBondContact O-N 2.98Å
182R63.8Low58.5Low107 Ų10775.1 Ų75.140%0.40443%0.432SS..SBendtrans-67112.7163.4-74.9164.3-164.5-164.54.3108.9D178 L184D178-R182 VanDerWaalsContact O-CB 3.24Å; D178-R182 WeakPolarHBondContact O-CB 3.48Å; D178-R182 WeakPolarHBondContact O-CD 3.19Å; D178-R182 WeakPolarHBondContact O-CG 3.35Å; D178-R182 PolarHBondContact O-N 3.09Å; D178-R182 IonicContact OD2-CZ 2.68Å; D178-R182 IonicContact OD2-NE 3.54Å; D178-R182 PolarHBondContact OD2-NE 3.21Å; D178-R182 IonicContact OD2-NH2 3.89Å; D178-R182 PolarHBondContact OD2-NH2 3.33Å; R182-L184 PolarHBondContact O-N 2.72Å
183S48.9Very low56Low45 Ų4574.9 Ų74.932%0.31544%0.443SS..  trans-57.6134.7153.4-830000108.2M181 A185 S186M181-S183 PolarHBondContact O-N 2.98Å; S183-A185 PolarHBondContact O-N 2.85Å; S183-A185 VanDerWaalsContact O-N 3.15Å; S183-S186 WeakPolarHBondContact O-CA 3.4Å; S183-S186 WeakPolarHBondContact O-CB 3.5Å; S183-S186 PolarHBondContact O-N 3.27Å
184L42.4Very low53.5Low104 Ų10479.6 Ų79.655%0.54546%0.462SS..Hα-helixtrans-54.2-34.8176.5-67.4168.2000112.3R182 S186 F187 L188R182-L184 PolarHBondContact O-N 2.72Å; L184-S186 PolarHBondContact O-N 3.42Å; L184-F187 WeakPolarHBondContact O-CB 3.36Å; L184-F187 PolarHBondContact O-N 3Å; L184-L188 PolarHBondContact O-N 2.88Å
185A38.3Very low51Low50 Ų5085.2 Ų85.241%0.41349%0.486SS..Hα-helixtrans-59.1-23.5171.400000114.4S183 S189S183-A185 PolarHBondContact O-N 2.85Å; S183-A185 VanDerWaalsContact O-N 3.15Å; A185-S189 WeakPolarHBondContact O-CB 3.41Å; A185-S189 PolarHBondContact O-N 2.77Å
186S39.4Very low49Very low52 Ų5288.8 Ų88.836%0.36450%0.5SS..Hα-helixtrans-78.2-27.2175-160.90000112.5S183 L184 S189 S190S183-S186 WeakPolarHBondContact O-CA 3.4Å; S183-S186 WeakPolarHBondContact O-CB 3.5Å; S183-S186 PolarHBondContact O-N 3.27Å; L184-S186 PolarHBondContact O-N 3.42Å; S186-S189 CarbonylContact O-C 3.52Å; S186-S189 PolarHBondContact O-N 2.88Å; S186-S190 WeakPolarHBondContact O-CB 3.32Å; S186-S190 PolarHBondContact O-N 3.12Å; S186-S190 VanDerWaalsContact O-N 3.12Å; S186-S190 PolarHBondContact O-OG 3.36Å
187F35.1Very low46.8Very low131 Ų13190.8 Ų90.858%0.57552%0.523SS*.Hα-helixtrans-72.5-35.6174.1-161.9-98.3000110.6L184 S189L184-F187 WeakPolarHBondContact O-CB 3.36Å; L184-F187 PolarHBondContact O-N 3Å; F187-S189 PolarHBondContact O-N 3.38Å
188L36.6Very low44.8Very low134 Ų13495.4 Ų95.470%0.70255%0.546SS*.THydrogen-bonded Turntrans-76.3-5.3170.3-59.9174.9000113.9L184L184-L188 PolarHBondContact O-N 2.88Å
189S35.8Very low43.3Very low86 Ų8698.4 Ų98.460%0.60156%0.561SS**THydrogen-bonded Turntrans-1226.8-176.2-179.10000113A185 S186 F187A185-S189 WeakPolarHBondContact O-CB 3.41Å; A185-S189 PolarHBondContact O-N 2.77Å; S186-S189 CarbonylContact O-C 3.52Å; S186-S189 PolarHBondContact O-N 2.88Å; F187-S189 PolarHBondContact O-N 3.38Å
190S35.5Very low41.5Very low91 Ų91101.7 Ų101.764%0.63657%0.573SS**SBendtrans-109.50.3172.659.60000113.6S186S186-S190 WeakPolarHBondContact O-CB 3.32Å; S186-S190 PolarHBondContact O-N 3.12Å; S186-S190 VanDerWaalsContact O-N 3.12Å; S186-S190 PolarHBondContact O-OG 3.36Å
191Q37.7Very low39.9Very low113 Ų113107.4 Ų107.453%0.52860%0.604SS.*SBendtrans-82.1150.5153.8-70.5-176.6-21.800108.7S193Q191-S193 PolarHBondContact O-N 3.13Å
192P29.1Very low38Very low129 Ų129115.3 Ų115.384%0.83864%0.638SS**  trans-68.995.7172.428.8-33.3000109.5K194P192-K194 VanDerWaalsContact C-N 3.35Å; P192-K194 PolarHBondContact O-N 2.89Å
193S33.4Very low36.7Very low94 Ų94116.8 Ų116.866%0.65765%0.654SS**  trans-73.784.5-177.258.70000111.3Q191Q191-S193 PolarHBondContact O-N 3.13Å
194K34.7Very low36.1Very low180 Ų180121.8 Ų121.878%0.78368%0.677SS**  trans-64.8129.5153.2-76.4-170173.4-175.10108.5P192P192-K194 VanDerWaalsContact C-N 3.35Å; P192-K194 PolarHBondContact O-N 2.89Å
195D34.3Very low35.9Very low143 Ų143124.1 Ų124.177%0.76569%0.686SS**  trans61.691.8159.6-44.8-40.5000117.6
196V38.9Very low35.7Very low149 Ų149132 Ų13290%0.90371%0.711SS**SBendtrans-121.7117.6149.3176.40000107.6
197G35.7Very low35.4Very low65 Ų65132.2 Ų132.267%0.6772%0.721SS**  trans102.940.3167.200000117.2
198D33.6Very low35.4Very low154 Ų154130.9 Ų130.982%0.82473%0.728SS**  trans-78.8135.1137.9-160.5-16000107.7
199L37.2Very low35.4Very low133 Ų133136 Ų13670%0.69674%0.738SS**  trans-153.631.9-167.1-156.6105000114
200H34.1Very low35.1Very low143 Ų143135.2 Ų135.266%0.66274%0.744SS**  trans-129.882.8163.5-86.2100.9000110.9
201D41.9Very low34.7Very low135 Ų135136.4 Ų136.472%0.72275%0.752SS**  trans-153.1117.4145.5-154.3-7.2000110.2
202F32.9Very low34.2Very low183 Ų183138.3 Ų138.380%0.80376%0.763SS**  trans-161.728.1179.1-113.9-64.3000114.6
203D35.9Very low34.1Very low139 Ų139137.2 Ų137.274%0.74375%0.754SS**  trans-147120.5162.4-67.9-59.2000104.1
204D35.8Very low33.6Very low149 Ų149141 Ų14180%0.79777%0.766SS**  cis-152.9151.124.5-104.5-57.1000111
205E38.7Very low33.2Very low154 Ų154137.5 Ų137.572%0.7276%0.761SS**  trans-157.195.5137.1-154.5-159.5153.100112.4S208E205-S208 PolarHBondContact OE1-OG 3.34Å
206F34Very low32.8Very low215 Ų215136.8 Ų136.894%0.94376%0.763SS**  trans-103.153.4167.7-126-65.7000114.6
207G31.8Very low32.3Very low56 Ų56134.4 Ų134.458%0.57775%0.752SS**  trans102.399.1140.700000117.2R209G207-R209 PolarHBondContact O-N 2.97Å
208S36.7Very low31.7Very low104 Ų104137.2 Ų137.273%0.72776%0.761SS**  trans-45.5126.7157.2-72.90000114E205E205-S208 PolarHBondContact OE1-OG 3.34Å
209R34.9Very low31.8Very low241 Ų241135.4 Ų135.491%0.90976%0.757SS**  trans-145.6122.4152.5-75.4-169.5174.9-160.6-2.2108.5G207G207-R209 PolarHBondContact O-N 2.97Å
210G30Very low31.4Very low70 Ų70135.1 Ų135.172%0.72276%0.76SS**  cis126.3125.8-200000111.4
211S27.8Very low31.1Very low115 Ų115136.2 Ų136.280%0.80477%0.766SS**  trans68.3152.9-169.7-116.60000114
212M27.3Very low30.5Very low153 Ų153135.8 Ų135.875%0.75477%0.768SS**  cis-154.3151.13.5-151.6167.672.600111.4
213T25.9Very low30.4Very low106 Ų106132.6 Ų132.665%0.6577%0.769SS**  trans25.1117.8154.354.30000120.5
214L23.9Very low30Very low175 Ų175137.1 Ų137.192%0.91678%0.776SS**  trans-137.1129138.6-82.2-178.6000110.5
215P26.9Very low29.7Very low105 Ų105136 Ų13668%0.68278%0.776SS**  trans-87.7138.816134.2-29.7000111.1
216T25.4Very low29.1Very low129 Ų129133.7 Ų133.779%0.79178%0.777SS**  trans56.5123.6141.1-46.10000120.8
217S27.9Very low28.8Very low98 Ų98129.5 Ų129.569%0.68577%0.769SS**  trans77.6107.6150.762.80000121.9
218C24.3Very low28.7Very low125 Ų125134.5 Ų134.585%0.84578%0.783SS**  84.6152.1123.2-64.10000120.7
219P34.2Very low28.2Very low116 Ų116133.1 Ų133.175%0.75379%0.785SS**  trans-130.8179.2-146.241.5-24.4000115.1
220V30.1Very low27.9Very low126 Ų126130.2 Ų130.276%0.76478%0.779SS**  -176.9155.5122.1145.30000111.3
221E27.7Very low28.1Very low166 Ų166133.6 Ų133.678%0.77678%0.779SS**  trans-39.8162.4172.7-49.2157.8137.200114.9
222T28.7Very low28.4Very low126 Ų126133 Ų13377%0.77377%0.767SS**  cis-157.8140.328.1-35.30000108.4
223S29.9Very low29Very low116 Ų116131.5 Ų131.581%0.81176%0.762SS**  173.4169.184.947.30000113.1
224R28.2Very low29.8Very low235 Ų235132.2 Ų132.289%0.88776%0.758SS**  trans-77.8166.2-171.4-82.6178.1-179.9177.3-0.5113.6
225P29.6Very low30.6Very low125 Ų125129 Ų12981%0.81274%0.738SS**  cis-137.417828.441.8-22.9000118.9
226S26.9Very low31Very low106 Ų106129.9 Ų129.974%0.74173%0.728SS**  trans-63.6153.4-173.4-330000117
227T27.8Very low31.7Very low126 Ų126128.3 Ų128.377%0.77371%0.71SS**  -166.5141.3125.721.80000112.1
228N28Very low32.6Very low162 Ų162129.1 Ų129.187%0.86671%0.706SS**  trans60.5144.3155.8-54.74.4000119.9
229G27.6Very low33.4Very low74 Ų74128.5 Ų128.576%0.76369%0.691SS**  trans155.9-18.1148.700000121.9
230F27.1Very low33.6Very low180 Ų180126.4 Ų126.479%0.78968%0.676SS**  trans-159.7139.2179.8-140.7-104.8000112.1
231I34.5Very low34.2Very low142 Ų142124.4 Ų124.473%0.72866%0.664SS**  trans-141.9130.9168.1-62.6-178.3000106.7
232D34.6Very low34.9Very low103 Ų103122.1 Ų122.155%0.55165%0.653SS**  trans-79.9140.6-169.2-61.9-71.4000114.3E234 Q235D232-E234 PolarHBondContact O-N 3.43Å; D232-Q235 PolarHBondContact O-N 2.8Å
233D40.5Very low35.6Very low120 Ų120120 Ų12064%0.64264%0.64SS**THydrogen-bonded Turntrans-62.2-5.3179.7-108.8-57.3000115.4W236 K237D233-W236 PolarHBondContact O-NE1 3.39Å; D233-W236 PolarHBondContact OD1-NE1 2.93Å; D233-W236 VanDerWaalsContact OD1-NE1 3.11Å; D233-K237 VanDerWaalsContact O-CE 3.24Å; D233-K237 WeakPolarHBondContact O-CE 3.37Å
234E42.7Very low36.1Very low121 Ų121119.1 Ų119.157%0.56563%0.63SS**THydrogen-bonded Turntrans-85.2-29.1171.7-71.8-67.9103.700112.3D232 W236 K237 L238D232-E234 PolarHBondContact O-N 3.43Å; E234-W236 PolarHBondContact O-N 2.92Å; E234-K237 PolarHBondContact O-N 3.06Å; E234-K237 IonicContact OE1-NZ 2.64Å; E234-K237 PolarHBondContact OE1-NZ 2.8Å; E234-L238 PolarHBondContact O-N 3.41Å
235Q40.1Very low36.7Very low108 Ų108111.5 Ų111.551%0.50561%0.612SS.*Hα-helixtrans-73.7-32.3-171.9-161.2171.220.900112.5D232 L238 Q239D232-Q235 PolarHBondContact O-N 2.8Å; Q235-L238 PolarHBondContact O-N 2.69Å; Q235-Q239 PolarHBondContact O-N 2.97Å
236W35.7Very low37.2Very low124 Ų124110.4 Ų110.447%0.4760%0.6SS.*Hα-helixtrans-69.9-33.317686.4-93.1000112.5D233 E234 L238 Q239 V240D233-W236 PolarHBondContact O-NE1 3.39Å; D233-W236 PolarHBondContact OD1-NE1 2.93Å; D233-W236 VanDerWaalsContact OD1-NE1 3.11Å; E234-W236 PolarHBondContact O-N 2.92Å; W236-L238 VanDerWaalsContact C-N 3.34Å; W236-Q239 PolarHBondContact O-N 3.18Å; W236-V240 HydrophobicContact CE3-CB 4.4Å; W236-V240 HydrophobicContact CE3-CG2 3.73Å; W236-V240 HydrophobicContact CZ3-CG2 4.05Å; W236-V240 WeakPolarHBondContact O-CB 3.14Å; W236-V240 WeakPolarHBondContact O-CG2 3.32Å; W236-V240 PolarHBondContact O-N 3.05Å
237K39.8Very low37.8Very low95 Ų95111.5 Ų111.541%0.41360%0.596SS.*Hα-helixtrans-63.5-42.5175.7-60.9173.5-170.6165.70111.2D233 E234 T241D233-K237 VanDerWaalsContact O-CE 3.24Å; D233-K237 WeakPolarHBondContact O-CE 3.37Å; E234-K237 PolarHBondContact O-N 3.06Å; E234-K237 IonicContact OE1-NZ 2.64Å; E234-K237 PolarHBondContact OE1-NZ 2.8Å; K237-T241 WeakPolarHBondContact O-CB 3.36Å; K237-T241 PolarHBondContact O-N 3.02Å; K237-T241 PolarHBondContact O-OG1 3.37Å
238L45.7Very low38.2Very low115 Ų115108.8 Ų108.860%0.60259%0.593SS**Hα-helixtrans-65.7-46.9175.3-69.5172.7000110.9E234 Q235 W236 V240 T241 E242E234-L238 PolarHBondContact O-N 3.41Å; Q235-L238 PolarHBondContact O-N 2.69Å; W236-L238 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.23Å; L238-T241 PolarHBondContact O-N 2.85Å; L238-T241 PolarHBondContact O-OG1 2.81Å; L238-T241 VanDerWaalsContact O-OG1 3.11Å; L238-E242 WeakPolarHBondContact O-CB 3.47Å; L238-E242 PolarHBondContact O-N 2.79Å
239Q41.1Very low38.7Very low113 Ų113104 Ų10453%0.52858%0.575SS.*Hα-helixtrans-67.8-33.6178.7-77.1-177.1-25.300113.8Q235 W236 V243Q235-Q239 PolarHBondContact O-N 2.97Å; W236-Q239 PolarHBondContact O-N 3.18Å; Q239-V243 VanDerWaalsContact O-CB 3.3Å; Q239-V243 WeakPolarHBondContact O-CB 3.41Å; Q239-V243 VanDerWaalsContact O-CG2 3.24Å; Q239-V243 WeakPolarHBondContact O-CG2 3.41Å; Q239-V243 PolarHBondContact O-N 3Å
240V40.4Very low39Very low72 Ų72107.7 Ų107.744%0.43658%0.577SS.*Hα-helixtrans-71.1-37.5173.9170.30000111.7W236 L238 V244W236-V240 HydrophobicContact CE3-CB 4.4Å; W236-V240 HydrophobicContact CE3-CG2 3.73Å; W236-V240 HydrophobicContact CZ3-CG2 4.05Å; W236-V240 WeakPolarHBondContact O-CB 3.14Å; W236-V240 WeakPolarHBondContact O-CG2 3.32Å; W236-V240 PolarHBondContact O-N 3.05Å; L238-V240 PolarHBondContact O-N 3.23Å; V240-V244 HydrophobicContact CG1-CG2 4.39Å; V240-V244 VanDerWaalsContact O-CB 3.3Å; V240-V244 WeakPolarHBondContact O-CB 3.46Å; V240-V244 WeakPolarHBondContact O-CG2 3.42Å; V240-V244 PolarHBondContact O-N 2.99Å
241T42.6Very low39.2Very low84 Ų84108 Ų10852%0.51558%0.581SS.*Hα-helixtrans-73.2-32.1174.6480000112.9K237 L238 S245K237-T241 WeakPolarHBondContact O-CB 3.36Å; K237-T241 PolarHBondContact O-N 3.02Å; K237-T241 PolarHBondContact O-OG1 3.37Å; L238-T241 PolarHBondContact O-N 2.85Å; L238-T241 PolarHBondContact O-OG1 2.81Å; L238-T241 VanDerWaalsContact O-OG1 3.11Å; T241-S245 VanDerWaalsContact O-CB 3.23Å; T241-S245 WeakPolarHBondContact O-CB 2.85Å; T241-S245 PolarHBondContact O-N 2.83Å; T241-S245 PolarHBondContact O-OG 2.95Å
242E41.4Very low39.1Very low118 Ų118110.3 Ų110.355%0.55159%0.586SS**Hα-helixtrans-66.3-50.7171.4-170168.2-14100110.8L238 V244 S245 D246L238-E242 WeakPolarHBondContact O-CB 3.47Å; L238-E242 PolarHBondContact O-N 2.79Å; E242-V244 PolarHBondContact O-N 2.98Å; E242-S245 CarbonylContact O-C 3.54Å; E242-S245 WeakPolarHBondContact O-CB 3.33Å; E242-S245 PolarHBondContact O-N 2.91Å; E242-S245 VanDerWaalsContact O-N 3.15Å; E242-D246 PolarHBondContact O-N 2.89Å
243V42.5Very low39Very low82 Ų82113 Ų11350%0.49760%0.599SS.*Hα-helixtrans-65.6-39178.31700000112.8Q239 S245 D246 I247Q239-V243 VanDerWaalsContact O-CB 3.3Å; Q239-V243 WeakPolarHBondContact O-CB 3.41Å; Q239-V243 VanDerWaalsContact O-CG2 3.24Å; Q239-V243 WeakPolarHBondContact O-CG2 3.41Å; Q239-V243 PolarHBondContact O-N 3Å; V243-S245 VanDerWaalsContact C-N 3.32Å; V243-D246 PolarHBondContact O-N 3.12Å; V243-I247 HydrophobicContact CG1-CD1 3.73Å; V243-I247 HydrophobicContact CG1-CG1 4.39Å; V243-I247 WeakPolarHBondContact O-CB 3.47Å; V243-I247 VanDerWaalsContact O-CG1 3.25Å; V243-I247 WeakPolarHBondContact O-CG1 3.32Å; V243-I247 PolarHBondContact O-N 2.84Å
244V42.3Very low38.5Very low97 Ų97113.2 Ų113.259%0.58861%0.606SS**Hα-helixtrans-67.3-34.7173.5169.90000111.2V240 E242 G248V240-V244 HydrophobicContact CG1-CG2 4.39Å; V240-V244 VanDerWaalsContact O-CB 3.3Å; V240-V244 WeakPolarHBondContact O-CB 3.46Å; V240-V244 WeakPolarHBondContact O-CG2 3.42Å; V240-V244 PolarHBondContact O-N 2.99Å; E242-V244 PolarHBondContact O-N 2.98Å; V244-G248 PolarHBondContact O-N 3.32Å
245S39.2Very low37.8Very low75 Ų75113.5 Ų113.552%0.52462%0.622SS.*Hα-helixtrans-68.5-41.5173.7-61.20000112.1T241 E242 V243 G248 A249T241-S245 VanDerWaalsContact O-CB 3.23Å; T241-S245 WeakPolarHBondContact O-CB 2.85Å; T241-S245 PolarHBondContact O-N 2.83Å; T241-S245 PolarHBondContact O-OG 2.95Å; E242-S245 CarbonylContact O-C 3.54Å; E242-S245 WeakPolarHBondContact O-CB 3.33Å; E242-S245 PolarHBondContact O-N 2.91Å; E242-S245 VanDerWaalsContact O-N 3.15Å; V243-S245 VanDerWaalsContact C-N 3.32Å; S245-G248 CarbonylContact O-C 3.58Å; S245-G248 PolarHBondContact O-N 2.94Å; S245-A249 WeakPolarHBondContact O-CB 2.9Å; S245-A249 PolarHBondContact O-N 3.12Å
246D40.8Very low37.4Very low102 Ų102112.7 Ų112.755%0.54563%0.634SS.*Hα-helixtrans-69.9-39.7179.4-84.9-10.5000112.2E242 V243 G248 A249 L250E242-D246 PolarHBondContact O-N 2.89Å; V243-D246 PolarHBondContact O-N 3.12Å; D246-G248 VanDerWaalsContact C-N 3.32Å; D246-G248 PolarHBondContact O-N 3.23Å; D246-A249 PolarHBondContact O-N 3.28Å; D246-L250 PolarHBondContact O-N 3.43Å; D246-L250 VanDerWaalsContact O-N 3.17Å
247I39.6Very low37.2Very low129 Ų129115.7 Ų115.766%0.66265%0.653SS**Hα-helixtrans-63.3-39.7172-68.6168.9000110.4V243 A249V243-I247 HydrophobicContact CG1-CD1 3.73Å; V243-I247 HydrophobicContact CG1-CG1 4.39Å; V243-I247 WeakPolarHBondContact O-CB 3.47Å; V243-I247 VanDerWaalsContact O-CG1 3.25Å; V243-I247 WeakPolarHBondContact O-CG1 3.32Å; V243-I247 PolarHBondContact O-N 2.84Å; I247-A249 VanDerWaalsContact C-N 3.34Å
248G35.5Very low36.9Very low68 Ų68119.8 Ų119.870%0.70168%0.678SS**Hα-helixtrans-72.9-19.1173.600000115.1V244 S245 D246V244-G248 PolarHBondContact O-N 3.32Å; S245-G248 CarbonylContact O-C 3.58Å; S245-G248 PolarHBondContact O-N 2.94Å; D246-G248 VanDerWaalsContact C-N 3.32Å; D246-G248 PolarHBondContact O-N 3.23Å
249A39.9Very low36Very low61 Ų61119.2 Ų119.250%0.50469%0.69SS.*Hα-helixtrans-91.7-17.9-178.500000113.7S245 D246 I247S245-A249 WeakPolarHBondContact O-CB 2.9Å; S245-A249 PolarHBondContact O-N 3.12Å; D246-A249 PolarHBondContact O-N 3.28Å; I247-A249 VanDerWaalsContact C-N 3.34Å
250L32.5Very low35.5Very low153 Ų153118.1 Ų118.180%0.80170%0.7SS**SBendtrans-86.81.1-170.4-134.775.2000116.1D246D246-L250 PolarHBondContact O-N 3.43Å; D246-L250 VanDerWaalsContact O-N 3.17Å
251E32.7Very low35.2Very low187 Ų187120.2 Ų120.287%0.87472%0.718SS**  trans-103.161.8173.8-157.4167.3-134.900112.8
252K30.6Very low34.7Very low190 Ų190122.3 Ų122.383%0.82673%0.731SS**  trans-13373.6170.2-76.9-176.3179.4166.70112.3
253I32.8Very low34.2Very low160 Ų160122.8 Ų122.882%0.82174%0.742SS**  trans-117.9132.3164.2-59-178.7000107.9
254P31.6Very low33.6Very low123 Ų123122.9 Ų122.980%0.79975%0.752SS**  trans-84.6151.1-159-11.830.3000114.8A256P254-A256 PolarHBondContact O-N 3.24Å
255S26.3Very low33.2Very low128 Ų128126.3 Ų126.390%0.89577%0.766SS**  trans-64119.8177-40.10000113.4
256A32Very low32.6Very low91 Ų91128 Ų12875%0.75278%0.778SS**  trans-155.8140157.600000112P254P254-A256 PolarHBondContact O-N 3.24Å
257E31.5Very low32.3Very low187 Ų187130.9 Ų130.987%0.87479%0.793SS**  trans57.176.6146.6-160.1163.3-142.100119.7
258L33.3Very low31.8Very low180 Ų180132.6 Ų132.694%0.94280%0.804SS**  -15292.8126.3-146.476.4000112.1
259A27.6Very low31.6Very low103 Ų103134.6 Ų134.685%0.85181%0.807SS**  trans-113.3117.7178.300000111.6
260A31.4Very low31.2Very low90 Ų90141 Ų14174%0.74482%0.823SS**  trans-164.5139.5159.300000111
261S33.3Very low31.2Very low117 Ų117143.2 Ų143.282%0.81883%0.827SS**  trans66.6120.8160.8-54.30000117.5
262T31.8Very low31Very low127 Ų127138.5 Ų138.578%0.77981%0.814SS**  cis-151.9147.7-0.7-44.20000111.2
263T30.1Very low31Very low129 Ų129136.5 Ų136.579%0.79181%0.811SS**  trans-56.1164.9161.738.20000113.1
264A31.4Very low31Very low84 Ų84134.7 Ų134.769%0.69481%0.811SS**  cis-167.8170.1-14.600000107.8
265L32.8Very low30.8Very low168 Ų168136.5 Ų136.588%0.8881%0.814SS**  trans-175.395.4138.4-103.5167.2000110.1
266S27Very low31.1Very low111 Ų111134.1 Ų134.178%0.77681%0.81SS**  trans-92.3145.7162.1-53.50000109.1
267N34.9Very low31Very low163 Ų163138.4 Ų138.487%0.87281%0.814SS**  trans-158.7139.8149.7-101.8-25000110.2
268D29.3Very low31.1Very low165 Ų165136.3 Ų136.388%0.88281%0.809SS**  trans-74.3176.7177.1-90-66.5000113.5
269S31.4Very low31.1Very low109 Ų109135.6 Ų135.676%0.76280%0.8SS**  trans9792.2153.5-161.20000117.7
270F31.6Very low31.3Very low196 Ų196134.9 Ų134.986%0.8679%0.794SS**  -145.3128.7127.5-144.8-96.3000112.5
271K30.9Very low31.5Very low199 Ų199137.9 Ų137.987%0.86580%0.804SS**  trans-160.9147.1171.9-167.3174.8-175.2177.20109.1
272S28.6Very low31.3Very low88 Ų88142.1 Ų142.162%0.61580%0.802SS**  trans91.6159.9173.7-155.50000117.3
273I31.6Very low31.6Very low148 Ų148142.1 Ų142.176%0.75980%0.801SS**  trans71.7128.1174.9-36.1-176.4000112.7
274C31.9Very low31.8Very low122 Ų122142.7 Ų142.782%0.82480%0.795SS**  cis-119147.920.2-49.10000114.9
275D27.4Very low31.9Very low161 Ų161144.8 Ų144.886%0.86180%0.799SS**  trans-89.5165.8165.3-64.2-84.2000112.2
276G34Very low32.2Very low78 Ų78142.5 Ų142.580%0.80480%0.795SS**  trans-151.4111.2169.900000111.3
277E29.8Very low32.5Very low181 Ų181145.7 Ų145.785%0.84679%0.794SS**  trans-68.9154.6-168.9-60.5173.384.800115.1
278L33.7Very low32.6Very low144 Ų144147.6 Ų147.675%0.75480%0.795SS**  -176.8132.1105.5-92.7166.1000114.1
279H32.9Very low33Very low164 Ų164145 Ų14576%0.75978%0.782SS**  trans36.6110.5158.6-64.3-33.4000121.1
280A31.1Very low33.3Very low89 Ų89144.1 Ų144.174%0.73678%0.775SS**  78.6130.589.100000114.3
281T35.7Very low33.5Very low153 Ų153143.4 Ų143.494%0.93977%0.772SS**  -140.5-176.760.9460000116.4
282R30.1Very low33.5Very low206 Ų206138.6 Ų138.678%0.77776%0.763SS**  trans-111.6153.6-162.7153.6-169.5169.1-177.6-1.5113.7E284R282-E284 IonicContact CZ-OE1 3.85Å; R282-E284 IonicContact NE-OE1 3.66Å; R282-E284 IonicContact NH2-OE1 3.1Å; R282-E284 PolarHBondContact NH2-OE1 2.96Å; R282-E284 VanDerWaalsContact NH2-OE1 3.1Å
283V36.5Very low33.7Very low127 Ų127140.1 Ų140.177%0.7777%0.768SS**  trans151.7132.3147.5153.40000108
284E36Very low33.7Very low140 Ų140139 Ų13965%0.65476%0.763SS**  cis-171.8162.9-16.8-109.8165.6-162.300106.6R282R282-E284 IonicContact CZ-OE1 3.85Å; R282-E284 IonicContact NE-OE1 3.66Å; R282-E284 IonicContact NH2-OE1 3.1Å; R282-E284 PolarHBondContact NH2-OE1 2.96Å; R282-E284 VanDerWaalsContact NH2-OE1 3.1Å
285T33.4Very low33.6Very low129 Ų129141.1 Ų141.179%0.79176%0.761SS**  trans-141.2150.8-178.761.60000113.2
286P38Very low33.6Very low120 Ų120140.5 Ų140.578%0.77975%0.753SS**  -146.2131.9127.729.4-10.3000113.8
287K34.5Very low33.7Very low177 Ų177143.8 Ų143.877%0.7775%0.747SS**  73.4118.275.1-78.3-166.1174.2-168.60117.7
288F35.9Very low33.7Very low204 Ų204141 Ų14190%0.89574%0.738SS**  trans-161.5122.9134.5-105.2-81.8000105.6
289D37.6Very low33.8Very low111 Ų111143.1 Ų143.159%0.59474%0.744SS**  60126.455.4-85.4-49.5000112.8
290S37.8Very low33.7Very low90 Ų90146.2 Ų146.263%0.62975%0.749SS**  cis-157.4157.518.2-66.80000114.7
291K35.9Very low33.8Very low181 Ų181153.8 Ų153.879%0.78776%0.758SS**  36150.2124.8-56.5168-171.6165.10121.2
292S31.5Very low33.7Very low97 Ų97149.7 Ų149.768%0.67875%0.746SS**  cis174.5172.8-7.854.40000112.6
293V32.2Very low34.5Very low120 Ų120145.2 Ų145.273%0.72774%0.744SS**  trans89.9127138.4145.60000122
294L32.1Very low34.5Very low125 Ų125146.5 Ų146.565%0.65475%0.747SS**  trans65.1128.1150.9-91.158000121.4
295E29.5Very low34.3Very low166 Ų166143.4 Ų143.478%0.77675%0.752SS**  69.9148.595.5-75.7173.6-163.400115.1
296E27.7Very low34.4Very low148 Ų148142.5 Ų142.569%0.69275%0.751SS**  cis-168.7-171.8-21.3-172.3-177.8-152.400105.9
297H34.9Very low34.1Very low147 Ų147142.4 Ų142.468%0.68175%0.748SS**  trans90.194.7161.1-65.474.7000119.8
298N30.6Very low34.1Very low124 Ų124142.7 Ų142.766%0.66375%0.753SS**  30.8133.5119.7-76.1-69.3000120.6
299H35.9Very low33.8Very low188 Ų188144.2 Ų144.287%0.8775%0.752SS**  -166.9160101.8-94.2-42.7000115.3
300R30.3Very low33.6Very low229 Ų229144.1 Ų144.186%0.86476%0.758SS**  trans-86.9155.1-169.5-53.6170.6174-172.1-3.3113.8
301R33.7Very low33.2Very low248 Ų248145.7 Ų145.794%0.93676%0.763SS**  179.2137.5112.4-97.9171.7-164-1325114.2
302G34.1Very low33Very low66 Ų66145.2 Ų145.268%0.6877%0.766SS**  trans-108.4-145.5148.400000109.1
303P46.2Very low32.8Very low112 Ų112146.4 Ų146.473%0.72777%0.769SS**  cis-140.4-151.9-0.138.9-16000113.5
304N36.4Very low32.8Very low155 Ų155146.4 Ų146.483%0.82978%0.775SS**  trans80.3142.6174.9-46-27.6000114.5
305G32.2Very low32.6Very low75 Ų75146.9 Ų146.977%0.77378%0.783SS**  cis123.3118.98.500000109.1
306S35.6Very low32.9Very low109 Ų109144.4 Ų144.476%0.76278%0.781SS**  -173.1144.562.761.20000111.3
307T30.6Very low32.9Very low119 Ų119143.7 Ų143.773%0.7379%0.787SS**  90.5143109-70.40000118.3
308Q35.6Very low32.5Very low183 Ų183144.5 Ų144.586%0.85579%0.791SS**  trans84.3109.5164.3-84.2159.630.600122.4
309R28.9Very low32.4Very low235 Ų235145.7 Ų145.789%0.88780%0.803SS**  trans-66.6173.7139.3-95.8-178171.2-170.3-1.7109.9
310P33.9Very low32.2Very low109 Ų109147.1 Ų147.171%0.70880%0.801SS**  cis-143.1170.119.741-20.9000118.8
311V30.4Very low32.4Very low123 Ų123141.5 Ų141.575%0.74580%0.796SS**  trans30118.3135.9-174.10000120.2
312M31.9Very low32.4Very low171 Ų171135.2 Ų135.284%0.84279%0.791SS**  -174.4150.8112.9-98.3-158.3175.400115.3
313T26.2Very low32.5Very low122 Ų122136.8 Ų136.875%0.74879%0.791SS**  trans-23.2133.4168.454.20000120.6
314S32.6Very low32.1Very low121 Ų121136.9 Ų136.985%0.84679%0.794SS**  175153.1105.461.20000114.4
315T28.4Very low31.9Very low134 Ų134132.3 Ų132.382%0.82278%0.784SS**  trans-107.2174.2170.247.10000110.1
316P35.4Very low32Very low114 Ų114138 Ų13874%0.7479%0.788SS**  cis-125.8-163.2-33.337.2-20.5000110.7
317T27Very low31.7Very low134 Ų134141.7 Ų141.782%0.82279%0.791SS**  trans154.8145.7132.9-630000111.5
318E26.9Very low31.7Very low163 Ų163142.5 Ų142.576%0.76279%0.79SS**  trans-74.1160.1-177.2-49172.49700114.8
319T29.4Very low31.4Very low149 Ų149138.7 Ų138.791%0.91478%0.784SS**  trans-151.6139.3139.6-34.50000111.5
320R30.2Very low31.4Very low219 Ų219134.4 Ų134.483%0.82678%0.778SS**  trans-94.4152.5-176.1-65.9155.163-175.53.7112.5
321S34.7Very low31.2Very low110 Ų110136.3 Ų136.377%0.76978%0.782SS**  trans-157.9122.9146.1-29.70000114.1
322S34.9Very low31.2Very low117 Ų117135.5 Ų135.582%0.81878%0.781SS**  trans64.7143.2133.6-570000121.4
323S36Very low31.2Very low99 Ų99134.8 Ų134.869%0.69278%0.781SS**  cis-167.6153.60440000113.9
324S36.8Very low31.4Very low113 Ų113133.1 Ų133.179%0.7977%0.774SS**  trans61.2144.1155.2580000120.7
325G33.1Very low31.4Very low60 Ų60136.1 Ų136.162%0.61978%0.777SS**  cis149.7153.6-10.800000115.3
326F34.5Very low31.7Very low193 Ų193135 Ų13585%0.84678%0.781SS**  trans72.5146.5165.8-48.3-77.3000119.1
327F28.6Very low31.7Very low188 Ų188137 Ų13783%0.82578%0.778SS**  cis-164.2159.4-32.9-151.9-93.3000109.8
328D30.4Very low32.1Very low135 Ų135141.4 Ų141.472%0.72278%0.78SS**  trans-65.1158.8179.1-74.5-72.4000116.6
329S29.2Very low32.3Very low104 Ų104138.9 Ų138.973%0.72777%0.772SS**  trans-166.9114136.9-88.10000117.7
330L29.1Very low32.6Very low144 Ų144137.2 Ų137.275%0.75477%0.766SS**  73.7124.5119.9-63.3172.8000124
331L29.4Very low32.6Very low150 Ų150133 Ų13379%0.78577%0.765SS**  trans83.391.7131.6-66168.5000122.9
332S30.1Very low32.6Very low105 Ų105133.9 Ų133.973%0.73477%0.765SS**  -2125.8128.2-174.10000120.2
333N33.2Very low32.4Very low157 Ų157135.3 Ų135.384%0.8476%0.763SS**  trans173.9165.2140.3-94.8-33.8000109.4
334S28.5Very low32Very low86 Ų86137.9 Ų137.960%0.60177%0.769SS**  cis-177.1135.6-38-178.10000108.5
335M33.2Very low31.7Very low185 Ų185137.1 Ų137.191%0.91176%0.764SS**  trans49.1119.4163.2-64.3-175.1-175.600122
336A35.4Very low31.6Very low110 Ų110144 Ų14491%0.90978%0.78SS**  trans-151.1141.3133.600000110.8
337K35Very low31.6Very low155 Ų155139.5 Ų139.567%0.67478%0.779SS**  trans-124.8144.8-174167.3-178.7173.5179.90111.8D339K337-D339 WeakPolarHBondContact CE-OD1 3.28Å; K337-D339 IonicContact NZ-OD1 3.26Å
338R35.8Very low32.1Very low227 Ų227135.9 Ų135.986%0.85778%0.776SS**  trans-177.6100.3141.5-99.8159.8-162.394.9-9115.5
339D31.4Very low33.4Very low110 Ų110132.3 Ų132.359%0.58876%0.76SS**  52.3103.3119.9-42.8-34.4000122.9K337K337-D339 WeakPolarHBondContact CE-OD1 3.28Å; K337-D339 IonicContact NZ-OD1 3.26Å
340S34.2Very low35.6Very low114 Ų114130.6 Ų130.680%0.79775%0.745SS**  trans-173.9122.8134.216.10000107.8
341V31.3Very low38Very low132 Ų132126.7 Ų126.780%0.873%0.729SS**  6310861.8-174.60000109.7
342V34.2Very low40.5Very low127 Ų127125.2 Ų125.277%0.7772%0.718SS**  cis-151.1176.647-131.50000114.7
343N32.1Very low43.3Very low148 Ų148124.2 Ų124.279%0.79171%0.705SS**  trans86.278.7155.8-69.69.7000122.4
344D25.8Very low46.1Very low152 Ų152116.9 Ų116.981%0.81367%0.666SS**  trans24.7119.3132.5-93.2-55.7000124.9
345S30.7Very low49.1Very low98 Ų98113.7 Ų113.769%0.68564%0.642SS**  60.878.2115.1-58.80000122.7
346Q32.7Very low51.8Low205 Ų205107.6 Ų107.696%0.95862%0.617SS**  -159.549.4129.6-120.6174.753.100114.1
347A33.3Very low54.5Low98 Ų98104.1 Ų104.181%0.8158%0.581SS**  trans-70.7140.3-178.800000113.5V349A347-V349 PolarHBondContact O-N 3.4Å
348S39.4Very low57.3Low111 Ų11196.7 Ų96.778%0.77655%0.549SS*.  trans-72.8114.6-17745.90000113.1T350S348-T350 PolarHBondContact O-N 3.27Å
349V58.2Low60.1Low61 Ų6189.9 Ų89.937%0.3753%0.526SS..  trans-68.8115.3166.5-179.60000108.6A347 D353 L354 Y446A347-V349 PolarHBondContact O-N 3.4Å; V349-D353 HydrophobicContact CG1-CB 4.06Å; V349-L354 HydrophobicContact CG1-CB 4.39Å; V349-Y446 HydrophobicContact CB-CE2 4.24Å; V349-Y446 HydrophobicContact CG2-CE2 4.25Å
350T75.2Confident63Low67 Ų6789.5 Ų89.541%0.41152%0.521SS..  trans-72.5160.8176.174.30000110.7S348 Q352 D353 L354S348-T350 PolarHBondContact O-N 3.27Å; T350-Q352 PolarHBondContact O-N 2.64Å; T350-Q352 PolarHBondContact OG1-N 2.75Å; T350-D353 VanDerWaalsContact CB-OD2 3.27Å; T350-D353 WeakPolarHBondContact CB-OD2 3.25Å; T350-D353 WeakPolarHBondContact CG2-OD2 3.34Å; T350-D353 PolarHBondContact N-OD2 2.76Å; T350-D353 PolarHBondContact O-N 3.01Å; T350-D353 PolarHBondContact OG1-N 3.31Å; T350-D353 VanDerWaalsContact OG1-N 3.08Å; T350-D353 PolarHBondContact OG1-OD2 2.8Å; T350-L354 PolarHBondContact O-N 2.72Å
351S78.2Confident65.7Low62 Ų6284.5 Ų84.543%0.43449%0.486SS..Hα-helixtrans-61.3-23.7171.8560000112.6L355 F373S351-L355 WeakPolarHBondContact O-CB 3.49Å; S351-L355 PolarHBondContact O-N 2.88Å; S351-L355 VanDerWaalsContact O-N 3.17Å; S351-F373 WeakPolarHBondContact O-CE2 3.49Å
352Q83.3Confident68.6Low119 Ų11978.5 Ų78.556%0.55645%0.45SS*.Hα-helixtrans-76.5-43.5177.9-16370.1-7.800111.3T350 L354 L355 S356T350-Q352 PolarHBondContact O-N 2.64Å; T350-Q352 PolarHBondContact OG1-N 2.75Å; Q352-L354 VanDerWaalsContact C-N 3.26Å; Q352-L354 PolarHBondContact O-N 3.43Å; Q352-L355 WeakPolarHBondContact O-CB 3.43Å; Q352-L355 PolarHBondContact O-N 3.43Å; Q352-S356 PolarHBondContact O-N 3.34Å; Q352-S356 PolarHBondContact O-OG 2.92Å
353D88Confident71.2Confident84 Ų8480.5 Ų80.545%0.44944%0.444SS..Hα-helixtrans-59.3-38.8175.2-57.8-53.6000112.1V349 T350 W357V349-D353 HydrophobicContact CG1-CB 4.06Å; T350-D353 VanDerWaalsContact CB-OD2 3.27Å; T350-D353 WeakPolarHBondContact CB-OD2 3.25Å; T350-D353 WeakPolarHBondContact CG2-OD2 3.34Å; T350-D353 PolarHBondContact N-OD2 2.76Å; T350-D353 PolarHBondContact O-N 3.01Å; T350-D353 PolarHBondContact OG1-N 3.31Å; T350-D353 VanDerWaalsContact OG1-N 3.08Å; T350-D353 PolarHBondContact OG1-OD2 2.8Å; D353-W357 VanDerWaalsContact O-CB 3.26Å; D353-W357 WeakPolarHBondContact O-CB 3.38Å; D353-W357 PolarHBondContact O-N 3.37Å
354L91.5Very high73.8Confident4 Ų477.5 Ų77.52%0.02145%0.447CS..Hα-helixtrans-67.3-40.5175.5-170.165.7000111V349 T350 Q352 W357 C358 F373 M442 V445 K449V349-L354 HydrophobicContact CG1-CB 4.39Å; T350-L354 PolarHBondContact O-N 2.72Å; Q352-L354 VanDerWaalsContact C-N 3.26Å; Q352-L354 PolarHBondContact O-N 3.43Å; L354-W357 HydrophobicContact CD1-CE3 3.93Å; L354-W357 HydrophobicContact CD1-CZ3 4.3Å; L354-W357 PolarHBondContact O-N 3.16Å; L354-C358 PolarHBondContact O-N 2.95Å; L354-C358 PolarHBondContact O-SG 2.87Å; L354-F373 HydrophobicContact CB-CZ 3.92Å; L354-F373 HydrophobicContact CD2-CE1 3.88Å; L354-F373 HydrophobicContact CD2-CZ 3.88Å; L354-F373 HydrophobicContact CG-CE1 3.97Å; L354-F373 HydrophobicContact CG-CZ 3.82Å; L354-M442 HydrophobicContact CD2-CG 3.67Å; L354-V445 HydrophobicContact CD1-CG1 4.15Å; L354-V445 HydrophobicContact CD2-CG1 4.28Å; L354-V445 HydrophobicContact CG-CG1 4.15Å; L354-K449 HydrophobicContact CD1-CB 4.25Å; L354-K449 HydrophobicContact CD1-CD 3.63Å
355L91.9Very high76.9Confident18 Ų1872.1 Ų72.19%0.09442%0.416CS..Hα-helixtrans-67.1-46.7179.9-171.667000111.4S351 Q352 C358 Q359 I370 F373S351-L355 WeakPolarHBondContact O-CB 3.49Å; S351-L355 PolarHBondContact O-N 2.88Å; S351-L355 VanDerWaalsContact O-N 3.17Å; Q352-L355 WeakPolarHBondContact O-CB 3.43Å; Q352-L355 PolarHBondContact O-N 3.43Å; L355-C358 WeakPolarHBondContact O-CB 3.28Å; L355-C358 PolarHBondContact O-N 3.02Å; L355-Q359 VanDerWaalsContact O-CG 3.32Å; L355-Q359 WeakPolarHBondContact O-CG 3.13Å; L355-Q359 PolarHBondContact O-N 3.28Å; L355-I370 HydrophobicContact CD1-CG2 3.8Å; L355-F373 HydrophobicContact CB-CE2 3.9Å; L355-F373 HydrophobicContact CB-CZ 3.88Å; L355-F373 HydrophobicContact CD1-CD2 4.44Å; L355-F373 HydrophobicContact CD1-CE2 4.01Å; L355-F373 HydrophobicContact CD1-CZ 4.09Å; L355-F373 HydrophobicContact CG-CE2 4.48Å
356S90.4Very high79.5Confident57 Ų5777.6 Ų77.640%0.39942%0.422SS..Hα-helixtrans-64.8-37.3176.3-62.80000112.2Q352 Q359 E360Q352-S356 PolarHBondContact O-N 3.34Å; Q352-S356 PolarHBondContact O-OG 2.92Å; S356-Q359 PolarHBondContact O-N 2.59Å; S356-E360 PolarHBondContact O-N 2.8Å
357W93.1Very high81.7Confident37 Ų3770.8 Ų70.814%0.1441%0.406CS..Hα-helixtrans-61.2-42.5171.3170.772.9000112.2D353 L354 S361 L386 Y390 V445 K449 L452 T453D353-W357 VanDerWaalsContact O-CB 3.26Å; D353-W357 WeakPolarHBondContact O-CB 3.38Å; D353-W357 PolarHBondContact O-N 3.37Å; L354-W357 HydrophobicContact CD1-CE3 3.93Å; L354-W357 HydrophobicContact CD1-CZ3 4.3Å; L354-W357 PolarHBondContact O-N 3.16Å; W357-S361 PolarHBondContact NE1-OG 3.35Å; W357-S361 WeakPolarHBondContact O-CB 3.41Å; W357-S361 PolarHBondContact O-N 3.28Å; W357-S361 PolarHBondContact O-OG 2.57Å; W357-L386 HydrophobicContact CH2-CD1 3.67Å; W357-L386 HydrophobicContact CH2-CD2 3.76Å; W357-L386 HydrophobicContact CH2-CG 3.93Å; W357-L386 HydrophobicContact CZ2-CD1 4.09Å; W357-L386 HydrophobicContact CZ3-CD1 3.94Å; W357-L386 HydrophobicContact CZ3-CD2 3.86Å; W357-L386 HydrophobicContact CZ3-CG 4.37Å; W357-Y390 HydrophobicContact CZ2-CE2 4.23Å; W357-Y390 PolarHBondContact NE1-OH 2.86Å; W357-V445 HydrophobicContact CZ3-CG1 4.05Å; W357-K449 HydrophobicContact CD2-CB 4.41Å; W357-K449 HydrophobicContact CD2-CD 3.84Å; W357-K449 HydrophobicContact CD2-CG 3.91Å; W357-K449 HydrophobicContact CE3-CB 4.01Å; W357-K449 HydrophobicContact CE3-CD 3.86Å; W357-K449 HydrophobicContact CE3-CG 3.97Å; W357-K449 HydrophobicContact CG-CD 4.22Å; W357-K449 VanDerWaalsContact CH2-CA 3.4Å; W357-K449 HydrophobicContact CH2-CB 3.55Å; W357-K449 HydrophobicContact CH2-CG 3.96Å; W357-K449 HydrophobicContact CZ2-CB 4.01Å; W357-K449 HydrophobicContact CZ2-CG 3.91Å; W357-K449 HydrophobicContact CZ3-CB 3.55Å; W357-K449 HydrophobicContact CZ3-CD 4.31Å; W357-K449 HydrophobicContact CZ3-CG 3.99Å; W357-L452 HydrophobicContact CH2-CD1 4.37Å; W357-T453 HydrophobicContact CZ2-CG2 4.17Å
358C93.4Very high84.3Confident0 Ų067.3 Ų67.30%038%0.375CS..Hα-helixtrans-65-41.9174.9-64.80000112.3L354 L355 S361 C362 I370 W377 V445L354-C358 PolarHBondContact O-N 2.95Å; L354-C358 PolarHBondContact O-SG 2.87Å; L355-C358 WeakPolarHBondContact O-CB 3.28Å; L355-C358 PolarHBondContact O-N 3.02Å; C358-S361 PolarHBondContact O-N 2.93Å; C358-C362 VanDerWaalsContact O-CB 3.31Å; C358-C362 WeakPolarHBondContact O-CB 3.06Å; C358-C362 PolarHBondContact O-N 3.29Å; C358-I370 HydrophobicContact CB-CD1 3.96Å; C358-I370 HydrophobicContact CB-CG2 4.2Å; C358-W377 HydrophobicContact CB-CH2 4.06Å; C358-W377 HydrophobicContact CB-CZ2 3.96Å; C358-V445 WeakPolarHBondContact SG-CG1 3.2Å
359Q93.8Very high86.6Confident83 Ų8372.3 Ų72.339%0.38838%0.377SS..Hα-helixtrans-61.3-45.3178.8-74.5168.6-15.500112.2L355 S356 R363 I370L355-Q359 VanDerWaalsContact O-CG 3.32Å; L355-Q359 WeakPolarHBondContact O-CG 3.13Å; L355-Q359 PolarHBondContact O-N 3.28Å; S356-Q359 PolarHBondContact O-N 2.59Å; Q359-R363 PolarHBondContact O-N 3.05Å; Q359-I370 HydrophobicContact CG-CB 4.34Å; Q359-I370 WeakPolarHBondContact CG-O 3.41Å; Q359-I370 PolarHBondContact NE2-O 2.87Å
360E92.3Very high88.2Confident102 Ų10270.1 Ų70.148%0.47736%0.363SS..Hα-helixtrans-74.2-37.3177.8-170.259.5-152.100112.1S356 C362 R363S356-E360 PolarHBondContact O-N 2.8Å; E360-C362 VanDerWaalsContact C-N 3.35Å; E360-C362 PolarHBondContact O-N 3.34Å; E360-R363 WeakPolarHBondContact O-CB 2.82Å; E360-R363 PolarHBondContact O-N 3.03Å; E360-R363 WeakPolarHBondContact OE1-CD 3.34Å; E360-R363 IonicContact OE1-NH1 3.71Å; E360-R363 PolarHBondContact OE1-NH1 3.38Å; E360-R363 WeakPolarHBondContact OE2-CD 3.3Å; E360-R363 IonicContact OE2-CZ 3.88Å; E360-R363 IonicContact OE2-NE 3.81Å; E360-R363 IonicContact OE2-NH1 2.9Å; E360-R363 PolarHBondContact OE2-NH1 3.37Å
361S91.3Very high88.9Confident9 Ų971.1 Ų71.16%0.06337%0.373CS..Hα-helixtrans-66.8-34.7177.7-59.80000112.9W357 C358 R389W357-S361 PolarHBondContact NE1-OG 3.35Å; W357-S361 WeakPolarHBondContact O-CB 3.41Å; W357-S361 PolarHBondContact O-N 3.28Å; W357-S361 PolarHBondContact O-OG 2.57Å; C358-S361 PolarHBondContact O-N 2.93Å; S361-R389 WeakPolarHBondContact O-CD 3.33Å; S361-R389 VanDerWaalsContact O-CG 3.32Å; S361-R389 WeakPolarHBondContact O-CG 3.35Å
362C91Very high89.5Confident7 Ų770.1 Ų70.15%0.04736%0.363CS..THydrogen-bonded Turntrans-94.111.2175.9-63.10000113.5C358 E360 G364 Y365 V368 I370 A385C358-C362 VanDerWaalsContact O-CB 3.31Å; C358-C362 WeakPolarHBondContact O-CB 3.06Å; C358-C362 PolarHBondContact O-N 3.29Å; E360-C362 VanDerWaalsContact C-N 3.35Å; E360-C362 PolarHBondContact O-N 3.34Å; C362-G364 PolarHBondContact O-N 3.46Å; C362-Y365 HydrophobicContact CB-CD2 4.46Å; C362-Y365 WeakPolarHBondContact O-CD2 3.24Å; C362-Y365 PolarHBondContact O-N 3.03Å; C362-V368 HydrophobicContact CB-CG1 3.88Å; C362-I370 HydrophobicContact CB-CD1 3.9Å; C362-A385 HydrophobicContact CB-CB 4.43Å
363R89.2Confident89.9Confident169 Ų16964.9 Ų64.964%0.63834%0.338SS*.THydrogen-bonded Turntrans-66.2125.1179.4-170.2170.9179.3178.7-0.3111.2Q359 E360Q359-R363 PolarHBondContact O-N 3.05Å; E360-R363 WeakPolarHBondContact O-CB 2.82Å; E360-R363 PolarHBondContact O-N 3.03Å; E360-R363 WeakPolarHBondContact OE1-CD 3.34Å; E360-R363 IonicContact OE1-NH1 3.71Å; E360-R363 PolarHBondContact OE1-NH1 3.38Å; E360-R363 WeakPolarHBondContact OE2-CD 3.3Å; E360-R363 IonicContact OE2-CZ 3.88Å; E360-R363 IonicContact OE2-NE 3.81Å; E360-R363 IonicContact OE2-NH1 2.9Å; E360-R363 PolarHBondContact OE2-NH1 3.37Å
364G86.1Confident90Very high84 Ų8461.9 Ų61.987%0.86632%0.324SS*.THydrogen-bonded Turntrans95-6.3179.500000115.6C362C362-G364 PolarHBondContact O-N 3.46Å
365Y91.3Very high89.9Confident39 Ų3965 Ų6515%0.15335%0.345CS..  trans-74.5135.4176.5-78.1-87.4000112.8C362 G367 A385 H388 R389 F397C362-Y365 HydrophobicContact CB-CD2 4.46Å; C362-Y365 WeakPolarHBondContact O-CD2 3.24Å; C362-Y365 PolarHBondContact O-N 3.03Å; Y365-G367 PolarHBondContact O-N 3.23Å; Y365-A385 HydrophobicContact CD1-CB 3.78Å; Y365-A385 HydrophobicContact CD2-CB 3.88Å; Y365-A385 HydrophobicContact CE1-CB 4.12Å; Y365-A385 HydrophobicContact CE2-CB 4.18Å; Y365-A385 HydrophobicContact CG-CB 3.63Å; Y365-A385 PolarHBondContact OH-O 3.37Å; Y365-H388 HydrophobicContact CE1-CB 4.32Å; Y365-H388 AromaticContact CE1-ND1 3.39Å; Y365-H388 WeakPolarHBondContact CE1-ND1 3.49Å; Y365-H388 AromaticContact CZ-ND1 3.57Å; Y365-H388 PolarHBondContact OH-ND1 3.12Å; Y365-R389 HydrophobicContact CE2-CB 4.3Å; Y365-R389 WeakPolarHBondContact OH-CA 3.4Å; Y365-R389 PolarHBondContact OH-N 2.65Å; Y365-F397 AromaticContact CD1-CD1 3.94Å; Y365-F397 HydrophobicContact CD1-CD1 3.94Å; Y365-F397 HydrophobicContact CD1-CD2 4.02Å; Y365-F397 AromaticContact CD1-CE1 3.68Å; Y365-F397 HydrophobicContact CD1-CE1 3.68Å; Y365-F397 AromaticContact CD1-CE2 3.77Å; Y365-F397 HydrophobicContact CD1-CE2 3.77Å; Y365-F397 HydrophobicContact CD1-CG 4.12Å; Y365-F397 AromaticContact CD1-CZ 3.59Å; Y365-F397 HydrophobicContact CD1-CZ 3.59Å; Y365-F397 HydrophobicContact CE1-CD1 4.33Å; Y365-F397 HydrophobicContact CE1-CD2 4.11Å; Y365-F397 HydrophobicContact CE1-CE1 4.49Å; Y365-F397 HydrophobicContact CE1-CE2 4.27Å; Y365-F397 HydrophobicContact CE1-CG 4.16Å; Y365-F397 HydrophobicContact CE1-CZ 4.46Å; Y365-F397 HydrophobicContact CG-CZ 4.29Å
366R85.2Confident89.9Confident213 Ų21365 Ų6580%0.80435%0.347SS*.THydrogen-bonded Turntrans-62.5126.4177.7-177.1-177.7-67.3-85.80.9110.5V368R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 3.43Å
367G79.6Confident90Very high62 Ų6262.2 Ų62.264%0.63933%0.328SS*.THydrogen-bonded Turntrans77.51.2172.800000116.1Y365Y365-G367 PolarHBondContact O-N 3.23Å
368V87.8Confident89.9Confident25 Ų2563.8 Ų63.815%0.15233%0.333CS..  trans-93.2125.8-179.9-177.50000110.7C362 R366 I370 I381 A382 A385 F397C362-V368 HydrophobicContact CB-CG1 3.88Å; R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 3.43Å; V368-I370 HydrophobicContact CG1-CD1 4.09Å; V368-I370 HydrophobicContact CG1-CG1 3.9Å; V368-I381 HydrophobicContact CG2-CB 4.45Å; V368-I381 HydrophobicContact CG2-CG2 3.59Å; V368-A382 HydrophobicContact CG1-CB 4.46Å; V368-A385 HydrophobicContact CG2-CB 3.91Å; V368-F397 HydrophobicContact CG2-CZ 4.24Å
369R87.4Confident89.7Confident217 Ų21765.7 Ų65.782%0.81934%0.344SS*.  trans-140.4105.5173.2-64.4-171.2-60.7177.83.3109.7S376R369-S376 WeakPolarHBondContact O-CB 3.38Å; R369-S376 PolarHBondContact O-OG 3.05Å
370I91.5Very high89.6Confident15 Ų1561.7 Ų61.78%0.07733%0.325CS..  trans-101.6105.2-176.7-56176.5000108.9L355 C358 Q359 C362 V368 S376 W377 A382L355-I370 HydrophobicContact CD1-CG2 3.8Å; C358-I370 HydrophobicContact CB-CD1 3.96Å; C358-I370 HydrophobicContact CB-CG2 4.2Å; Q359-I370 HydrophobicContact CG-CB 4.34Å; Q359-I370 WeakPolarHBondContact CG-O 3.41Å; Q359-I370 PolarHBondContact NE2-O 2.87Å; C362-I370 HydrophobicContact CB-CD1 3.9Å; V368-I370 HydrophobicContact CG1-CD1 4.09Å; V368-I370 HydrophobicContact CG1-CG1 3.9Å; I370-S376 WeakPolarHBondContact CA-OG 3.42Å; I370-W377 HydrophobicContact CD1-CH2 3.95Å; I370-W377 HydrophobicContact CD1-CZ2 3.92Å; I370-W377 HydrophobicContact CG1-CZ2 4.49Å; I370-W377 HydrophobicContact CG2-CZ2 3.81Å; I370-A382 HydrophobicContact CD1-CB 4.15Å; I370-A382 HydrophobicContact CG1-CB 4.22Å
371S91.2Very high89.7Confident87 Ų8757.2 Ų57.261%0.60830%0.304SS*.SBendtrans-120.3-11.417656.40000113.2S376S371-S376 PolarHBondContact N-OG 3.03Å; S371-S376 PolarHBondContact OG-OG 2.96Å
372N90.7Very high89.9Confident42 Ų4256.9 Ų56.923%0.22530%0.302CS..SBendtrans-148.4178178.162.241.4000110.9S374 S375 S376 W377N372-S374 VanDerWaalsContact OD1-C 3.3Å; N372-S374 WeakPolarHBondContact OD1-CA 3.13Å; N372-S374 PolarHBondContact OD1-N 3.13Å; N372-S375 PolarHBondContact ND2-OG 3.42Å; N372-S375 PolarHBondContact OD1-N 3.43Å; N372-S375 VanDerWaalsContact OD1-N 3.1Å; N372-S376 WeakPolarHBondContact OD1-CB 3.3Å; N372-S376 PolarHBondContact OD1-N 3.21Å; N372-W377 VanDerWaalsContact O-CD1 3.23Å; N372-W377 PolarHBondContact O-NE1 2.83Å
373F92.3Very high90Very high9 Ų956.5 Ų56.54%0.03930%0.3CS..SBendtrans-100.731.6169.3-66.2-78.6000112.3S351 L354 L355 W377 K438 V441 M442 V445S351-F373 WeakPolarHBondContact O-CE2 3.49Å; L354-F373 HydrophobicContact CB-CZ 3.92Å; L354-F373 HydrophobicContact CD2-CE1 3.88Å; L354-F373 HydrophobicContact CD2-CZ 3.88Å; L354-F373 HydrophobicContact CG-CE1 3.97Å; L354-F373 HydrophobicContact CG-CZ 3.82Å; L355-F373 HydrophobicContact CB-CE2 3.9Å; L355-F373 HydrophobicContact CB-CZ 3.88Å; L355-F373 HydrophobicContact CD1-CD2 4.44Å; L355-F373 HydrophobicContact CD1-CE2 4.01Å; L355-F373 HydrophobicContact CD1-CZ 4.09Å; L355-F373 HydrophobicContact CG-CE2 4.48Å; F373-W377 HydrophobicContact CD1-CZ2 4.47Å; F373-W377 HydrophobicContact CE1-CZ2 4.5Å; F373-K438 HydrophobicContact CB-CG 4.04Å; F373-K438 WeakPolarHBondContact O-CA 3.44Å; F373-V441 HydrophobicContact CB-CB 4.47Å; F373-V441 HydrophobicContact CB-CG1 4.07Å; F373-V441 HydrophobicContact CD1-CG1 4.3Å; F373-V441 WeakPolarHBondContact O-CB 3.34Å; F373-V441 WeakPolarHBondContact O-CG1 3.26Å; F373-M442 HydrophobicContact CB-CB 4.43Å; F373-M442 HydrophobicContact CD1-CB 4.28Å; F373-M442 HydrophobicContact CD1-CG 4.45Å; F373-M442 HydrophobicContact CD2-CE 3.72Å; F373-M442 HydrophobicContact CE1-CG 4.49Å; F373-M442 HydrophobicContact CE2-CE 4.05Å; F373-M442 HydrophobicContact CG-CB 4.22Å; F373-M442 HydrophobicContact CG-CE 4.3Å; F373-M442 HydrophobicContact CG-CG 4.45Å; F373-V445 HydrophobicContact CE1-CG1 4.19Å
374S89Confident90.3Very high21 Ų2148.5 Ų48.515%0.14727%0.269CS..SBendtrans-136.8-95.9178.759.40000111.7N372 S376 W377 R378 P436N372-S374 VanDerWaalsContact OD1-C 3.3Å; N372-S374 WeakPolarHBondContact OD1-CA 3.13Å; N372-S374 PolarHBondContact OD1-N 3.13Å; S374-S376 PolarHBondContact O-N 3.33Å; S374-S376 VanDerWaalsContact O-N 3.17Å; S374-W377 PolarHBondContact O-N 3.35Å; S374-R378 PolarHBondContact O-N 2.8Å; S374-P436 WeakPolarHBondContact CB-O 3.18Å; S374-P436 VanDerWaalsContact O-CG 3.3Å; S374-P436 WeakPolarHBondContact O-CG 3.44Å
375S89.3Confident90.7Very high68 Ų6844.5 Ų44.548%0.47623%0.228SC..THydrogen-bonded Turntrans-61.1-27.6-174.158.60000114.2N372 W377 R378N372-S375 PolarHBondContact ND2-OG 3.42Å; N372-S375 PolarHBondContact OD1-N 3.43Å; N372-S375 VanDerWaalsContact OD1-N 3.1Å; S375-W377 PolarHBondContact O-N 2.9Å; S375-R378 PolarHBondContact O-N 3.1Å
376S91.1Very high90.9Very high18 Ų1842.6 Ų42.613%0.12622%0.221CC..THydrogen-bonded Turntrans-61.1-24.5172.6-81.40000114.3R369 I370 S371 N372 S374R369-S376 WeakPolarHBondContact O-CB 3.38Å; R369-S376 PolarHBondContact O-OG 3.05Å; I370-S376 WeakPolarHBondContact CA-OG 3.42Å; S371-S376 PolarHBondContact N-OG 3.03Å; S371-S376 PolarHBondContact OG-OG 2.96Å; N372-S376 WeakPolarHBondContact OD1-CB 3.3Å; N372-S376 PolarHBondContact OD1-N 3.21Å; S374-S376 PolarHBondContact O-N 3.33Å; S374-S376 VanDerWaalsContact O-N 3.17Å
377W93Very high91.3Very high0 Ų032.5 Ų32.50%018%0.182CC..THydrogen-bonded Turntrans-102.7-17.5-174.2-61.382.9000113.3C358 I370 N372 F373 S374 S375 N379 G380 A382 F383 L386 V441 V445C358-W377 HydrophobicContact CB-CH2 4.06Å; C358-W377 HydrophobicContact CB-CZ2 3.96Å; I370-W377 HydrophobicContact CD1-CH2 3.95Å; I370-W377 HydrophobicContact CD1-CZ2 3.92Å; I370-W377 HydrophobicContact CG1-CZ2 4.49Å; I370-W377 HydrophobicContact CG2-CZ2 3.81Å; N372-W377 VanDerWaalsContact O-CD1 3.23Å; N372-W377 PolarHBondContact O-NE1 2.83Å; F373-W377 HydrophobicContact CD1-CZ2 4.47Å; F373-W377 HydrophobicContact CE1-CZ2 4.5Å; S374-W377 PolarHBondContact O-N 3.35Å; S375-W377 PolarHBondContact O-N 2.9Å; W377-N379 VanDerWaalsContact C-N 3.26Å; W377-N379 PolarHBondContact O-N 3.25Å; W377-N379 VanDerWaalsContact O-N 3.12Å; W377-G380 PolarHBondContact O-N 3.39Å; W377-A382 HydrophobicContact CD2-CB 3.83Å; W377-A382 HydrophobicContact CE3-CB 3.44Å; W377-A382 VanDerWaalsContact CE3-CB 3.44Å; W377-A382 HydrophobicContact CG-CB 4.36Å; W377-A382 HydrophobicContact CZ3-CB 3.84Å; W377-F383 HydrophobicContact CB-CE2 3.93Å; W377-F383 HydrophobicContact CB-CZ 3.84Å; W377-F383 HydrophobicContact CD2-CE1 4.14Å; W377-F383 HydrophobicContact CD2-CZ 4.32Å; W377-F383 AromaticContact CE3-CD1 3.42Å; W377-F383 HydrophobicContact CE3-CD1 3.42Å; W377-F383 VanDerWaalsContact CE3-CD1 3.42Å; W377-F383 HydrophobicContact CE3-CD2 4.35Å; W377-F383 AromaticContact CE3-CE1 3.38Å; W377-F383 HydrophobicContact CE3-CE1 3.38Å; W377-F383 HydrophobicContact CE3-CE2 4.32Å; W377-F383 AromaticContact CE3-CG 3.92Å; W377-F383 HydrophobicContact CE3-CG 3.92Å; W377-F383 AromaticContact CE3-CZ 3.87Å; W377-F383 HydrophobicContact CE3-CZ 3.87Å; W377-F383 HydrophobicContact CG-CZ 4.35Å; W377-F383 AromaticContact CZ3-CD1 3.7Å; W377-F383 HydrophobicContact CZ3-CD1 3.7Å; W377-F383 AromaticContact CZ3-CE1 3.96Å; W377-F383 HydrophobicContact CZ3-CE1 3.96Å; W377-F383 HydrophobicContact CZ3-CG 4.37Å; W377-L386 HydrophobicContact CH2-CD2 4.1Å; W377-L386 HydrophobicContact CZ3-CD2 4.19Å; W377-V441 HydrophobicContact CB-CG1 4.03Å; W377-V441 HydrophobicContact CD2-CG1 3.99Å; W377-V441 HydrophobicContact CG-CG1 3.62Å; W377-V445 HydrophobicContact CD2-CG2 4.26Å; W377-V445 HydrophobicContact CE3-CG2 3.98Å; W377-V445 HydrophobicContact CH2-CB 4.49Å; W377-V445 HydrophobicContact CH2-CG1 3.97Å; W377-V445 HydrophobicContact CH2-CG2 3.58Å; W377-V445 HydrophobicContact CZ2-CG1 4.23Å; W377-V445 HydrophobicContact CZ2-CG2 3.87Å; W377-V445 HydrophobicContact CZ3-CG2 3.65Å
378R90.7Very high92Very high69 Ų6931.9 Ų31.926%0.2616%0.163SC..THydrogen-bonded Turntrans-53.5-37.2-172-173.9179.5175.9-152.8-2.8114.1S374 S375 G380 I405 M430 V431 M433 T434 P436S374-R378 PolarHBondContact O-N 2.8Å; S375-R378 PolarHBondContact O-N 3.1Å; R378-G380 PolarHBondContact O-N 2.81Å; R378-I405 WeakPolarHBondContact O-CG2 3.37Å; R378-M430 WeakPolarHBondContact CG-O 3.25Å; R378-M430 PolarHBondContact NE-O 3.38Å; R378-V431 PolarHBondContact NH2-O 2.77Å; R378-M433 PolarHBondContact NE-O 2.77Å; R378-M433 PolarHBondContact NH2-O 2.97Å; R378-T434 VanDerWaalsContact CD-O 3.24Å; R378-T434 WeakPolarHBondContact CD-O 3.3Å; R378-T434 PolarHBondContact NH1-O 3.1Å; R378-P436 HydrophobicContact CB-CG 4.21Å
379N90.3Very high92.2Very high40 Ų4037.5 Ų37.521%0.21418%0.181CC..THydrogen-bonded Turntrans-77.1-0.6-176.773.42000114.7W377 I381 N408W377-N379 VanDerWaalsContact C-N 3.26Å; W377-N379 PolarHBondContact O-N 3.25Å; W377-N379 VanDerWaalsContact O-N 3.12Å; N379-I381 PolarHBondContact O-N 3.13Å; N379-I381 VanDerWaalsContact O-N 3.11Å; N379-I381 PolarHBondContact OD1-N 3Å; N379-N408 VanDerWaalsContact O-CB 3.31Å; N379-N408 WeakPolarHBondContact O-CB 3.45Å; N379-N408 PolarHBondContact O-ND2 3.37Å
380G91.8Very high92.4Very high0 Ų031.5 Ų31.50%016%0.159CC..SBendtrans76.9-20.7-178.800000115.6W377 R378 A382 F383 A384 C409W377-G380 PolarHBondContact O-N 3.39Å; R378-G380 PolarHBondContact O-N 2.81Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 3.23Å; G380-F383 PolarHBondContact O-N 2.9Å; G380-A384 PolarHBondContact O-N 3.16Å; G380-A384 VanDerWaalsContact O-N 3.07Å; G380-C409 WeakPolarHBondContact CA-SG 3.34Å
381I93.9Very high92.3Very high8 Ų836.1 Ų36.14%0.04118%0.176CC..Hα-helixtrans-67-34.2-174.9-52.5-173.6000111.3V368 N379 F383 A384 A385 F397 P402V368-I381 HydrophobicContact CG2-CB 4.45Å; V368-I381 HydrophobicContact CG2-CG2 3.59Å; N379-I381 PolarHBondContact O-N 3.13Å; N379-I381 VanDerWaalsContact O-N 3.11Å; N379-I381 PolarHBondContact OD1-N 3Å; I381-F383 PolarHBondContact O-N 3.22Å; I381-A384 PolarHBondContact O-N 2.75Å; I381-A385 WeakPolarHBondContact O-CB 3.49Å; I381-A385 PolarHBondContact O-N 2.77Å; I381-F397 HydrophobicContact CG2-CE2 3.58Å; I381-F397 HydrophobicContact CG2-CZ 3.49Å; I381-F397 VanDerWaalsContact CG2-CZ 3.49Å; I381-P402 HydrophobicContact CD1-CB 3.81Å
382A94.8Very high92.2Very high1 Ų135.6 Ų35.61%0.00817%0.17CC..Hα-helixtrans-61.6-42175.700000112.5V368 I370 W377 G380 L386V368-A382 HydrophobicContact CG1-CB 4.46Å; I370-A382 HydrophobicContact CD1-CB 4.15Å; I370-A382 HydrophobicContact CG1-CB 4.22Å; W377-A382 HydrophobicContact CD2-CB 3.83Å; W377-A382 HydrophobicContact CE3-CB 3.44Å; W377-A382 VanDerWaalsContact CE3-CB 3.44Å; W377-A382 HydrophobicContact CG-CB 4.36Å; W377-A382 HydrophobicContact CZ3-CB 3.84Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 3.23Å; A382-L386 WeakPolarHBondContact O-CB 3.12Å; A382-L386 PolarHBondContact O-N 2.91Å
383F94.9Very high92.3Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-65.6-43173.2-60.3-64.5000111.5W377 G380 I381 L386 I387 A412 F413 I425 M430 V441 Y444 V445 L448W377-F383 HydrophobicContact CB-CE2 3.93Å; W377-F383 HydrophobicContact CB-CZ 3.84Å; W377-F383 HydrophobicContact CD2-CE1 4.14Å; W377-F383 HydrophobicContact CD2-CZ 4.32Å; W377-F383 AromaticContact CE3-CD1 3.42Å; W377-F383 HydrophobicContact CE3-CD1 3.42Å; W377-F383 VanDerWaalsContact CE3-CD1 3.42Å; W377-F383 HydrophobicContact CE3-CD2 4.35Å; W377-F383 AromaticContact CE3-CE1 3.38Å; W377-F383 HydrophobicContact CE3-CE1 3.38Å; W377-F383 HydrophobicContact CE3-CE2 4.32Å; W377-F383 AromaticContact CE3-CG 3.92Å; W377-F383 HydrophobicContact CE3-CG 3.92Å; W377-F383 AromaticContact CE3-CZ 3.87Å; W377-F383 HydrophobicContact CE3-CZ 3.87Å; W377-F383 HydrophobicContact CG-CZ 4.35Å; W377-F383 AromaticContact CZ3-CD1 3.7Å; W377-F383 HydrophobicContact CZ3-CD1 3.7Å; W377-F383 AromaticContact CZ3-CE1 3.96Å; W377-F383 HydrophobicContact CZ3-CE1 3.96Å; W377-F383 HydrophobicContact CZ3-CG 4.37Å; G380-F383 PolarHBondContact O-N 2.9Å; I381-F383 PolarHBondContact O-N 3.22Å; F383-L386 PolarHBondContact O-N 3.4Å; F383-I387 WeakPolarHBondContact O-CG1 3.48Å; F383-I387 PolarHBondContact O-N 2.96Å; F383-I387 VanDerWaalsContact O-N 3.12Å; F383-A412 HydrophobicContact CB-CB 3.67Å; F383-F413 HydrophobicContact CD1-CE1 4.49Å; F383-F413 AromaticContact CD2-CE1 3.78Å; F383-F413 HydrophobicContact CD2-CE1 3.78Å; F383-F413 HydrophobicContact CD2-CZ 4.3Å; F383-F413 AromaticContact CE2-CE1 3.95Å; F383-F413 HydrophobicContact CE2-CE1 3.95Å; F383-F413 HydrophobicContact CE2-CZ 4.11Å; F383-F413 HydrophobicContact CG-CE1 4.07Å; F383-F413 HydrophobicContact CZ-CE1 4.39Å; F383-I425 HydrophobicContact CZ-CD1 4.29Å; F383-M430 HydrophobicContact CE2-CE 4.16Å; F383-M430 HydrophobicContact CZ-CE 4.25Å; F383-V441 HydrophobicContact CZ-CG1 4.28Å; F383-V441 HydrophobicContact CZ-CG2 4.43Å; F383-Y444 AromaticContact CD1-CD1 3.95Å; F383-Y444 HydrophobicContact CD1-CD1 3.95Å; F383-Y444 AromaticContact CD1-CE1 3.96Å; F383-Y444 HydrophobicContact CD1-CE1 3.96Å; F383-Y444 AromaticContact CE1-CD1 3.64Å; F383-Y444 HydrophobicContact CE1-CD1 3.64Å; F383-Y444 HydrophobicContact CE1-CE1 4.09Å; F383-Y444 HydrophobicContact CZ-CD1 4.34Å; F383-V445 HydrophobicContact CD1-CG2 4.4Å; F383-V445 HydrophobicContact CE1-CG2 3.85Å; F383-L448 HydrophobicContact CD1-CD1 4.18Å
384A94.5Very high92.2Very high0 Ų040.2 Ų40.20%020%0.195CC..Hα-helixtrans-62.6-45.5179.700000112.8G380 I381 L386 I387 H388 I395 F397 L400 A412G380-A384 PolarHBondContact O-N 3.16Å; G380-A384 VanDerWaalsContact O-N 3.07Å; I381-A384 PolarHBondContact O-N 2.75Å; A384-L386 VanDerWaalsContact C-N 3.34Å; A384-L386 PolarHBondContact O-N 2.83Å; A384-I387 PolarHBondContact O-N 3.48Å; A384-H388 VanDerWaalsContact O-CB 3.26Å; A384-H388 WeakPolarHBondContact O-CB 3.32Å; A384-H388 PolarHBondContact O-N 2.7Å; A384-I395 HydrophobicContact CB-CD1 4.12Å; A384-I395 HydrophobicContact CB-CG2 4.3Å; A384-F397 HydrophobicContact CB-CD2 4.38Å; A384-F397 HydrophobicContact CB-CE2 4.45Å; A384-L400 HydrophobicContact CB-CD1 3.49Å; A384-L400 VanDerWaalsContact CB-CD1 3.49Å; A384-A412 HydrophobicContact CB-CB 4.5Å
385A94.9Very high92.3Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-62.4-40.2176.400000112.4C362 Y365 V368 I381 R389 F397C362-A385 HydrophobicContact CB-CB 4.43Å; Y365-A385 HydrophobicContact CD1-CB 3.78Å; Y365-A385 HydrophobicContact CD2-CB 3.88Å; Y365-A385 HydrophobicContact CE1-CB 4.12Å; Y365-A385 HydrophobicContact CE2-CB 4.18Å; Y365-A385 HydrophobicContact CG-CB 3.63Å; Y365-A385 PolarHBondContact OH-O 3.37Å; V368-A385 HydrophobicContact CG2-CB 3.91Å; I381-A385 WeakPolarHBondContact O-CB 3.49Å; I381-A385 PolarHBondContact O-N 2.77Å; A385-R389 WeakPolarHBondContact O-CB 3.44Å; A385-R389 PolarHBondContact O-N 2.7Å; A385-F397 HydrophobicContact CB-CD2 4.46Å; A385-F397 HydrophobicContact CB-CE2 3.71Å; A385-F397 HydrophobicContact CB-CZ 4.32Å
386L94.5Very high92.4Very high0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-64.5-39.9179.3-166.269.8000111.7W357 W377 A382 F383 A384 Y390 V445 L448 L452W357-L386 HydrophobicContact CH2-CD1 3.67Å; W357-L386 HydrophobicContact CH2-CD2 3.76Å; W357-L386 HydrophobicContact CH2-CG 3.93Å; W357-L386 HydrophobicContact CZ2-CD1 4.09Å; W357-L386 HydrophobicContact CZ3-CD1 3.94Å; W357-L386 HydrophobicContact CZ3-CD2 3.86Å; W357-L386 HydrophobicContact CZ3-CG 4.37Å; W377-L386 HydrophobicContact CH2-CD2 4.1Å; W377-L386 HydrophobicContact CZ3-CD2 4.19Å; A382-L386 WeakPolarHBondContact O-CB 3.12Å; A382-L386 PolarHBondContact O-N 2.91Å; F383-L386 PolarHBondContact O-N 3.4Å; A384-L386 VanDerWaalsContact C-N 3.34Å; A384-L386 PolarHBondContact O-N 2.83Å; L386-Y390 WeakPolarHBondContact O-CD2 3.37Å; L386-V445 HydrophobicContact CD2-CG1 4.37Å; L386-L448 HydrophobicContact CD2-CB 4.29Å; L386-L448 HydrophobicContact CD2-CD1 4.26Å; L386-L452 HydrophobicContact CG-CD1 4.14Å
387I93.8Very high92.4Very high0 Ų041.2 Ų41.20%019%0.191CC..Hα-helixtrans-72.3-50.7175.9-65163.8000110.5F383 A384 R389 Y390 R391 I395 A412 A415 A416 L419 L448F383-I387 WeakPolarHBondContact O-CG1 3.48Å; F383-I387 PolarHBondContact O-N 2.96Å; F383-I387 VanDerWaalsContact O-N 3.12Å; A384-I387 PolarHBondContact O-N 3.48Å; I387-R389 PolarHBondContact O-N 2.7Å; I387-R389 VanDerWaalsContact O-N 3.08Å; I387-Y390 PolarHBondContact O-N 2.73Å; I387-R391 HydrophobicContact CG2-CB 4.38Å; I387-R391 PolarHBondContact O-N 3.07Å; I387-I395 HydrophobicContact CB-CD1 3.84Å; I387-I395 HydrophobicContact CD1-CD1 4.1Å; I387-I395 HydrophobicContact CG2-CD1 3.83Å; I387-I395 HydrophobicContact CG2-CG1 4.35Å; I387-A412 HydrophobicContact CD1-CB 4.24Å; I387-A412 WeakPolarHBondContact CD1-O 3.41Å; I387-A415 HydrophobicContact CD1-CB 4.41Å; I387-A415 HydrophobicContact CG2-CB 4.17Å; I387-A416 HydrophobicContact CD1-CB 3.99Å; I387-L419 HydrophobicContact CG2-CD1 4.27Å; I387-L448 HydrophobicContact CD1-CD2 4.16Å; I387-L448 HydrophobicContact CG1-CD2 3.85Å
388H94.1Very high92.2Very high50 Ų5048.3 Ų48.323%0.23123%0.229CC..Hα-helixtrans-56-29-179.9-179.2-89.2000113Y365 A384 Y390 P392 I395Y365-H388 HydrophobicContact CE1-CB 4.32Å; Y365-H388 AromaticContact CE1-ND1 3.39Å; Y365-H388 WeakPolarHBondContact CE1-ND1 3.49Å; Y365-H388 AromaticContact CZ-ND1 3.57Å; Y365-H388 PolarHBondContact OH-ND1 3.12Å; A384-H388 VanDerWaalsContact O-CB 3.26Å; A384-H388 WeakPolarHBondContact O-CB 3.32Å; A384-H388 PolarHBondContact O-N 2.7Å; H388-Y390 PolarHBondContact O-N 2.89Å; H388-P392 VanDerWaalsContact CD2-CA 3.49Å; H388-P392 WeakPolarHBondContact CD2-CA 3.25Å; H388-P392 WeakPolarHBondContact NE2-CB 3.44Å; H388-P392 WeakPolarHBondContact O-CD 3.43Å; H388-I395 PolarHBondContact CD2-O 2.83Å; H388-I395 VanDerWaalsContact CD2-O 3.25Å
389R92.1Very high92.1Very high143 Ų14348 Ų4854%0.5424%0.238SC..THydrogen-bonded Turntrans-59.7-31.1176.8-179.859.3172.3-179-4.8113.7S361 Y365 A385 I387S361-R389 WeakPolarHBondContact O-CD 3.33Å; S361-R389 VanDerWaalsContact O-CG 3.32Å; S361-R389 WeakPolarHBondContact O-CG 3.35Å; Y365-R389 HydrophobicContact CE2-CB 4.3Å; Y365-R389 WeakPolarHBondContact OH-CA 3.4Å; Y365-R389 PolarHBondContact OH-N 2.65Å; A385-R389 WeakPolarHBondContact O-CB 3.44Å; A385-R389 PolarHBondContact O-N 2.7Å; I387-R389 PolarHBondContact O-N 2.7Å; I387-R389 VanDerWaalsContact O-N 3.08Å
390Y92Very high92.1Very high91 Ų9147.2 Ų47.236%0.35723%0.234SC..THydrogen-bonded Turntrans-111.3-27179.8-62.5-99.2000112.4W357 L386 I387 H388 L452 T453W357-Y390 HydrophobicContact CZ2-CE2 4.23Å; W357-Y390 PolarHBondContact NE1-OH 2.86Å; L386-Y390 WeakPolarHBondContact O-CD2 3.37Å; I387-Y390 PolarHBondContact O-N 2.73Å; H388-Y390 PolarHBondContact O-N 2.89Å; Y390-L452 HydrophobicContact CD1-CB 4.21Å; Y390-L452 VanDerWaalsContact CD1-O 3.25Å; Y390-L452 WeakPolarHBondContact CD1-O 3.35Å; Y390-L452 HydrophobicContact CD2-CB 3.84Å; Y390-L452 HydrophobicContact CD2-CD1 4.08Å; Y390-L452 HydrophobicContact CD2-CD2 4.09Å; Y390-L452 HydrophobicContact CD2-CG 4.23Å; Y390-L452 HydrophobicContact CE1-CB 4.36Å; Y390-L452 WeakPolarHBondContact CE1-O 3.26Å; Y390-L452 HydrophobicContact CE2-CB 4Å; Y390-L452 HydrophobicContact CE2-CD1 4.33Å; Y390-L452 HydrophobicContact CG-CB 3.96Å; Y390-L452 HydrophobicContact CG-CD2 4.12Å; Y390-T453 HydrophobicContact CE1-CG2 4.47Å
391R88.8Confident91.9Very high112 Ų11248.5 Ų48.542%0.42324%0.243SC..  trans-138.371.6-173.6-81.8-73.7-166.4154.82.5111.3I387 D393 L394 L419I387-R391 HydrophobicContact CG2-CB 4.38Å; I387-R391 PolarHBondContact O-N 3.07Å; R391-D393 WeakPolarHBondContact CA-OD1 3.5Å; R391-D393 WeakPolarHBondContact CB-OD1 3.35Å; R391-D393 WeakPolarHBondContact CD-OD1 3.42Å; R391-D393 WeakPolarHBondContact CD-OD2 3.31Å; R391-D393 IonicContact CZ-OD2 3.78Å; R391-D393 IonicContact NH1-OD2 3.07Å; R391-D393 PolarHBondContact NH1-OD2 2.87Å; R391-D393 PolarHBondContact O-N 2.94Å; R391-L394 HydrophobicContact CB-CD1 3.87Å; R391-L394 HydrophobicContact CB-CG 4.06Å; R391-L394 HydrophobicContact CG-CD1 4.13Å; R391-L394 PolarHBondContact O-N 2.68Å; R391-L419 HydrophobicContact CG-CD1 4.28Å; R391-L419 HydrophobicContact CG-CD2 4.02Å
392P90.9Very high91.7Very high76 Ų7652.1 Ų52.149%0.49427%0.267SS..THydrogen-bonded Turntrans-68.7-15.4177.330.7-36.1000112.9H388 L394H388-P392 VanDerWaalsContact CD2-CA 3.49Å; H388-P392 WeakPolarHBondContact CD2-CA 3.25Å; H388-P392 WeakPolarHBondContact NE2-CB 3.44Å; H388-P392 WeakPolarHBondContact O-CD 3.43Å; P392-L394 VanDerWaalsContact C-N 3.25Å; P392-L394 PolarHBondContact O-N 3.36Å
393D90.7Very high91.3Very high99 Ų9957.9 Ų57.953%0.52930%0.302SS..THydrogen-bonded Turntrans-66.8-18.2173.354.1-53.4000114.4R391R391-D393 WeakPolarHBondContact CA-OD1 3.5Å; R391-D393 WeakPolarHBondContact CB-OD1 3.35Å; R391-D393 WeakPolarHBondContact CD-OD1 3.42Å; R391-D393 WeakPolarHBondContact CD-OD2 3.31Å; R391-D393 IonicContact CZ-OD2 3.78Å; R391-D393 IonicContact NH1-OD2 3.07Å; R391-D393 PolarHBondContact NH1-OD2 2.87Å; R391-D393 PolarHBondContact O-N 2.94Å
394L90.7Very high91Very high48 Ų4862 Ų6225%0.25132%0.321SS..SBendtrans-101.9-16.5-173.3-59-176.9000114.9R391 P392 A415 L418 L419R391-L394 HydrophobicContact CB-CD1 3.87Å; R391-L394 HydrophobicContact CB-CG 4.06Å; R391-L394 HydrophobicContact CG-CD1 4.13Å; R391-L394 PolarHBondContact O-N 2.68Å; P392-L394 VanDerWaalsContact C-N 3.25Å; P392-L394 PolarHBondContact O-N 3.36Å; L394-A415 HydrophobicContact CB-CB 3.88Å; L394-L418 HydrophobicContact CD1-CB 4.45Å; L394-L418 HydrophobicContact CD2-CD1 4Å; L394-L419 HydrophobicContact CD1-CD1 4.12Å; L394-L419 HydrophobicContact CD1-CD2 3.85Å; L394-L419 HydrophobicContact CD1-CG 3.88Å
395I91.6Very high90.7Very high9 Ų963.8 Ų63.85%0.04633%0.33CS..  trans-144.2117.8-176.8-54.4-179.8000109.2A384 I387 H388 F397 L400 A415A384-I395 HydrophobicContact CB-CD1 4.12Å; A384-I395 HydrophobicContact CB-CG2 4.3Å; I387-I395 HydrophobicContact CB-CD1 3.84Å; I387-I395 HydrophobicContact CD1-CD1 4.1Å; I387-I395 HydrophobicContact CG2-CD1 3.83Å; I387-I395 HydrophobicContact CG2-CG1 4.35Å; H388-I395 PolarHBondContact CD2-O 2.83Å; H388-I395 VanDerWaalsContact CD2-O 3.25Å; I395-F397 PolarHBondContact O-N 2.6Å; I395-F397 VanDerWaalsContact O-N 3.15Å; I395-L400 HydrophobicContact CG2-CD1 4.04Å; I395-A415 HydrophobicContact CD1-CB 3.78Å; I395-A415 HydrophobicContact CG1-CB 3.58Å
396D91.4Very high90.5Very high103 Ų10369.5 Ų69.555%0.55135%0.352SS*.  trans-68.9107.6161.3170.322.1000108.9D398 S399D396-D398 PolarHBondContact OD1-N 3.1Å; D396-S399 VanDerWaalsContact CG-OG 3.23Å; D396-S399 WeakPolarHBondContact OD2-CB 3.41Å; D396-S399 PolarHBondContact OD2-OG 2.94Å
397F90.8Very high90.4Very high17 Ų1772.7 Ų72.78%0.07537%0.366CS..  trans-80-34-176.2-173-87.9000112.7Y365 V368 I381 A384 A385 I395 S399 L400Y365-F397 AromaticContact CD1-CD1 3.94Å; Y365-F397 HydrophobicContact CD1-CD1 3.94Å; Y365-F397 HydrophobicContact CD1-CD2 4.02Å; Y365-F397 AromaticContact CD1-CE1 3.68Å; Y365-F397 HydrophobicContact CD1-CE1 3.68Å; Y365-F397 AromaticContact CD1-CE2 3.77Å; Y365-F397 HydrophobicContact CD1-CE2 3.77Å; Y365-F397 HydrophobicContact CD1-CG 4.12Å; Y365-F397 AromaticContact CD1-CZ 3.59Å; Y365-F397 HydrophobicContact CD1-CZ 3.59Å; Y365-F397 HydrophobicContact CE1-CD1 4.33Å; Y365-F397 HydrophobicContact CE1-CD2 4.11Å; Y365-F397 HydrophobicContact CE1-CE1 4.49Å; Y365-F397 HydrophobicContact CE1-CE2 4.27Å; Y365-F397 HydrophobicContact CE1-CG 4.16Å; Y365-F397 HydrophobicContact CE1-CZ 4.46Å; Y365-F397 HydrophobicContact CG-CZ 4.29Å; V368-F397 HydrophobicContact CG2-CZ 4.24Å; I381-F397 HydrophobicContact CG2-CE2 3.58Å; I381-F397 HydrophobicContact CG2-CZ 3.49Å; I381-F397 VanDerWaalsContact CG2-CZ 3.49Å; A384-F397 HydrophobicContact CB-CD2 4.38Å; A384-F397 HydrophobicContact CB-CE2 4.45Å; A385-F397 HydrophobicContact CB-CD2 4.46Å; A385-F397 HydrophobicContact CB-CE2 3.71Å; A385-F397 HydrophobicContact CB-CZ 4.32Å; I395-F397 PolarHBondContact O-N 2.6Å; I395-F397 VanDerWaalsContact O-N 3.15Å; F397-S399 VanDerWaalsContact C-N 3.26Å; F397-S399 PolarHBondContact O-N 3.3Å; F397-L400 HydrophobicContact CD2-CD1 4Å; F397-L400 HydrophobicContact CE2-CD1 4.38Å; F397-L400 WeakPolarHBondContact O-CG 3.47Å; F397-L400 PolarHBondContact O-N 3.17Å
398D89Confident90.3Very high148 Ų14872.7 Ų72.779%0.79137%0.366SS*.THydrogen-bonded Turntrans-74.7-14.7-171.8-78.2-43.3000113.1D396D396-D398 PolarHBondContact OD1-N 3.1Å
399S89.4Confident90.3Very high64 Ų6470.3 Ų70.345%0.44836%0.355SS..THydrogen-bonded Turntrans-91.53.3171.867.10000115.4D396 F397D396-S399 VanDerWaalsContact CG-OG 3.23Å; D396-S399 WeakPolarHBondContact OD2-CB 3.41Å; D396-S399 PolarHBondContact OD2-OG 2.94Å; F397-S399 VanDerWaalsContact C-N 3.26Å; F397-S399 PolarHBondContact O-N 3.3Å
400L89.9Confident90.4Very high23 Ų2369.3 Ų69.312%0.1235%0.352CS..  trans-84.3126.7-177.6-57.5-179.3000112.8A384 I395 F397 K411A384-L400 HydrophobicContact CB-CD1 3.49Å; A384-L400 VanDerWaalsContact CB-CD1 3.49Å; I395-L400 HydrophobicContact CG2-CD1 4.04Å; F397-L400 HydrophobicContact CD2-CD1 4Å; F397-L400 HydrophobicContact CE2-CD1 4.38Å; F397-L400 WeakPolarHBondContact O-CG 3.47Å; F397-L400 PolarHBondContact O-N 3.17Å; L400-K411 HydrophobicContact CD2-CD 3.67Å
401S88.4Confident90.4Very high27 Ų2768.7 Ų68.719%0.18935%0.351CS..  trans-103.3137.8175.188.20000111.9T403 E404 N408S401-T403 PolarHBondContact O-N 3.22Å; S401-T403 VanDerWaalsContact O-N 3.08Å; S401-T403 PolarHBondContact OG-OG1 3.12Å; S401-E404 WeakPolarHBondContact CB-OE1 3.45Å; S401-E404 PolarHBondContact O-N 3.06Å; S401-E404 VanDerWaalsContact O-N 3.1Å; S401-E404 VanDerWaalsContact OG-CD 3.26Å; S401-E404 WeakPolarHBondContact OG-CG 3.43Å; S401-E404 PolarHBondContact OG-N 3.44Å; S401-E404 PolarHBondContact OG-OE1 2.9Å; S401-N408 PolarHBondContact O-ND2 2.81Å
402P88.8Confident90.7Very high84 Ų8463.4 Ų63.455%0.54533%0.331SS..THydrogen-bonded Turntrans-66.7-12-179.426.9-34.9000114I381I381-P402 HydrophobicContact CD1-CB 3.81Å
403T86.4Confident90.9Very high121 Ų12159.8 Ų59.874%0.74231%0.307SS*.THydrogen-bonded Turntrans-77.8-25.4174.131.50000113.7S401 I405S401-T403 PolarHBondContact O-N 3.22Å; S401-T403 VanDerWaalsContact O-N 3.08Å; S401-T403 PolarHBondContact OG-OG1 3.12Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 2.95Å
404E88.2Confident91Very high87 Ų8757.9 Ų57.941%0.40730%0.297SS..  trans-87.548.4-174.3-77.3165.2-11200113.3S401 R406 E407 N408S401-E404 WeakPolarHBondContact CB-OE1 3.45Å; S401-E404 PolarHBondContact O-N 3.06Å; S401-E404 VanDerWaalsContact O-N 3.1Å; S401-E404 VanDerWaalsContact OG-CD 3.26Å; S401-E404 WeakPolarHBondContact OG-CG 3.43Å; S401-E404 PolarHBondContact OG-N 3.44Å; S401-E404 PolarHBondContact OG-OE1 2.9Å; E404-R406 VanDerWaalsContact C-N 3.27Å; E404-R406 PolarHBondContact O-N 3.39Å; E404-E407 PolarHBondContact O-N 2.87Å; E404-N408 WeakPolarHBondContact O-CB 3.45Å; E404-N408 VanDerWaalsContact O-CG 3.29Å; E404-N408 PolarHBondContact O-N 3.03Å
405I89.1Confident91.1Very high38 Ų3855.7 Ų55.720%0.19529%0.286CS..Hα-helixtrans-40.1-52.3-176.1-63.5178000112.9R378 T403 C409 M430 V431R378-I405 WeakPolarHBondContact O-CG2 3.37Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 2.95Å; I405-C409 WeakPolarHBondContact O-CB 3.39Å; I405-C409 PolarHBondContact O-N 3.37Å; I405-C409 VanDerWaalsContact O-N 3.13Å; I405-C409 PolarHBondContact O-SG 3.38Å; I405-M430 HydrophobicContact CG2-CB 4.29Å; I405-V431 HydrophobicContact CB-CG2 4.24Å; I405-V431 HydrophobicContact CG2-CB 4.46Å; I405-V431 HydrophobicContact CG2-CG2 3.69Å
406R90.2Very high91.2Very high120 Ų12055.3 Ų55.345%0.45328%0.284SS..Hα-helixtrans-64.8-50.1-177-166.4-176-65.7125.43.8112.4E404 R410 P427 V431E404-R406 VanDerWaalsContact C-N 3.27Å; E404-R406 PolarHBondContact O-N 3.39Å; R406-R410 WeakPolarHBondContact O-CB 3.34Å; R406-R410 PolarHBondContact O-N 3.5Å; R406-P427 HydrophobicContact CG-CB 4.29Å; R406-V431 HydrophobicContact CB-CG2 3.79Å; R406-V431 HydrophobicContact CG-CG2 4.34Å
407E91.3Very high91.3Very high66 Ų6652.1 Ų52.131%0.30827%0.273SS..Hα-helixtrans-75.3-30.5-174.9-61.5-52.3125.100111.7E404 R410 K411E404-E407 PolarHBondContact O-N 2.87Å; E407-R410 PolarHBondContact O-N 3.01Å; E407-R410 IonicContact OE1-NH1 2.73Å; E407-R410 VanDerWaalsContact OE2-CD 3.28Å; E407-R410 WeakPolarHBondContact OE2-CD 3.46Å; E407-R410 IonicContact OE2-CZ 3.61Å; E407-R410 IonicContact OE2-NE 3.74Å; E407-R410 IonicContact OE2-NH1 2.68Å; E407-R410 PolarHBondContact OE2-NH1 3.34Å; E407-K411 VanDerWaalsContact O-CB 3.3Å; E407-K411 WeakPolarHBondContact O-CB 3.36Å; E407-K411 WeakPolarHBondContact O-CG 3.35Å; E407-K411 PolarHBondContact O-N 3.4Å
408N93.5Very high91.3Very high0 Ų057.4 Ų57.40%030%0.301CS..Hα-helixtrans-63.4-51.3171.2-67.3-14.7000111.5N379 S401 E404 R410 K411 A412N379-N408 VanDerWaalsContact O-CB 3.31Å; N379-N408 WeakPolarHBondContact O-CB 3.45Å; N379-N408 PolarHBondContact O-ND2 3.37Å; S401-N408 PolarHBondContact O-ND2 2.81Å; E404-N408 WeakPolarHBondContact O-CB 3.45Å; E404-N408 VanDerWaalsContact O-CG 3.29Å; E404-N408 PolarHBondContact O-N 3.03Å; N408-R410 VanDerWaalsContact C-N 3.32Å; N408-R410 PolarHBondContact O-N 3.11Å; N408-K411 PolarHBondContact O-N 2.87Å; N408-A412 WeakPolarHBondContact O-CB 3.35Å; N408-A412 PolarHBondContact O-N 3.44Å
409C93Very high91.3Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-61-42.7176.8-700000111G380 I405 A412 F413 P427G380-C409 WeakPolarHBondContact CA-SG 3.34Å; I405-C409 WeakPolarHBondContact O-CB 3.39Å; I405-C409 PolarHBondContact O-N 3.37Å; I405-C409 VanDerWaalsContact O-N 3.13Å; I405-C409 PolarHBondContact O-SG 3.38Å; C409-A412 PolarHBondContact O-N 2.83Å; C409-F413 HydrophobicContact CB-CE2 4.15Å; C409-F413 HydrophobicContact CB-CZ 4.14Å; C409-F413 WeakPolarHBondContact O-CB 3.31Å; C409-F413 VanDerWaalsContact O-CD1 3.28Å; C409-F413 WeakPolarHBondContact O-CD1 3.46Å; C409-F413 WeakPolarHBondContact O-CD2 3.34Å; C409-F413 WeakPolarHBondContact O-CG 3.31Å; C409-F413 PolarHBondContact O-N 3.36Å; C409-P427 HydrophobicContact CB-CB 4.06Å
410R94Very high91.3Very high122 Ų12256.2 Ų56.246%0.4629%0.289SS..Hα-helixtrans-59.1-55174.8-178.3-170.5176.3-176.34.4112.2R406 E407 N408 A412 F413 D414 P427R406-R410 WeakPolarHBondContact O-CB 3.34Å; R406-R410 PolarHBondContact O-N 3.5Å; E407-R410 PolarHBondContact O-N 3.01Å; E407-R410 IonicContact OE1-NH1 2.73Å; E407-R410 VanDerWaalsContact OE2-CD 3.28Å; E407-R410 WeakPolarHBondContact OE2-CD 3.46Å; E407-R410 IonicContact OE2-CZ 3.61Å; E407-R410 IonicContact OE2-NE 3.74Å; E407-R410 IonicContact OE2-NH1 2.68Å; E407-R410 PolarHBondContact OE2-NH1 3.34Å; N408-R410 VanDerWaalsContact C-N 3.32Å; N408-R410 PolarHBondContact O-N 3.11Å; R410-A412 VanDerWaalsContact C-N 3.29Å; R410-A412 PolarHBondContact O-N 3Å; R410-F413 PolarHBondContact O-N 2.78Å; R410-F413 VanDerWaalsContact O-N 3.14Å; R410-D414 WeakPolarHBondContact CG-OD2 3.32Å; R410-D414 IonicContact NE-OD2 3.94Å; R410-D414 WeakPolarHBondContact O-CB 3.39Å; R410-D414 PolarHBondContact O-N 2.75Å; R410-P427 HydrophobicContact CB-CB 4.24Å; R410-P427 HydrophobicContact CB-CG 4.04Å
411K93.3Very high91.2Very high79 Ų7955.4 Ų55.434%0.34329%0.285SS..Hα-helixtrans-53.7-45.7177.2-74.9170-177.7177.50111.3L400 E407 N408 D414 A415L400-K411 HydrophobicContact CD2-CD 3.67Å; E407-K411 VanDerWaalsContact O-CB 3.3Å; E407-K411 WeakPolarHBondContact O-CB 3.36Å; E407-K411 WeakPolarHBondContact O-CG 3.35Å; E407-K411 PolarHBondContact O-N 3.4Å; N408-K411 PolarHBondContact O-N 2.87Å; K411-D414 PolarHBondContact O-N 3.18Å; K411-A415 WeakPolarHBondContact O-CB 3.28Å; K411-A415 PolarHBondContact O-N 3.15Å
412A94.3Very high91.1Very high0 Ų057.4 Ų57.40%030%0.298CS..Hα-helixtrans-65.9-40.5178.600000112.8F383 A384 I387 N408 C409 R410 A416F383-A412 HydrophobicContact CB-CB 3.67Å; A384-A412 HydrophobicContact CB-CB 4.5Å; I387-A412 HydrophobicContact CD1-CB 4.24Å; I387-A412 WeakPolarHBondContact CD1-O 3.41Å; N408-A412 WeakPolarHBondContact O-CB 3.35Å; N408-A412 PolarHBondContact O-N 3.44Å; C409-A412 PolarHBondContact O-N 2.83Å; R410-A412 VanDerWaalsContact C-N 3.29Å; R410-A412 PolarHBondContact O-N 3Å; A412-A416 VanDerWaalsContact O-CB 3.29Å; A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 3.23Å
413F94.6Very high91Very high0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-77.1-26.7178.9-56.9-9.7000112.3F383 C409 R410 A417 I425 P427 Y444F383-F413 HydrophobicContact CD1-CE1 4.49Å; F383-F413 AromaticContact CD2-CE1 3.78Å; F383-F413 HydrophobicContact CD2-CE1 3.78Å; F383-F413 HydrophobicContact CD2-CZ 4.3Å; F383-F413 AromaticContact CE2-CE1 3.95Å; F383-F413 HydrophobicContact CE2-CE1 3.95Å; F383-F413 HydrophobicContact CE2-CZ 4.11Å; F383-F413 HydrophobicContact CG-CE1 4.07Å; F383-F413 HydrophobicContact CZ-CE1 4.39Å; C409-F413 HydrophobicContact CB-CE2 4.15Å; C409-F413 HydrophobicContact CB-CZ 4.14Å; C409-F413 WeakPolarHBondContact O-CB 3.31Å; C409-F413 VanDerWaalsContact O-CD1 3.28Å; C409-F413 WeakPolarHBondContact O-CD1 3.46Å; C409-F413 WeakPolarHBondContact O-CD2 3.34Å; C409-F413 WeakPolarHBondContact O-CG 3.31Å; C409-F413 PolarHBondContact O-N 3.36Å; R410-F413 PolarHBondContact O-N 2.78Å; R410-F413 VanDerWaalsContact O-N 3.14Å; F413-A417 WeakPolarHBondContact O-CB 3.28Å; F413-A417 PolarHBondContact O-N 2.96Å; F413-A417 VanDerWaalsContact O-N 3.09Å; F413-I425 WeakPolarHBondContact CD2-O 3.47Å; F413-I425 HydrophobicContact CE2-CB 3.76Å; F413-I425 HydrophobicContact CE2-CG2 3.76Å; F413-I425 VanDerWaalsContact CE2-O 3.31Å; F413-I425 WeakPolarHBondContact CE2-O 3.28Å; F413-I425 HydrophobicContact CZ-CB 3.87Å; F413-I425 HydrophobicContact CZ-CD1 4.45Å; F413-I425 HydrophobicContact CZ-CG2 3.85Å; F413-P427 HydrophobicContact CD2-CG 3.76Å; F413-P427 HydrophobicContact CE2-CG 4.15Å; F413-Y444 AromaticContact CD1-CE1 3.65Å; F413-Y444 HydrophobicContact CD1-CE1 3.65Å; F413-Y444 AromaticContact CD1-CZ 3.64Å; F413-Y444 VanDerWaalsContact CD1-OH 3.24Å; F413-Y444 WeakPolarHBondContact CD1-OH 3.23Å; F413-Y444 HydrophobicContact CE1-CD1 4.29Å; F413-Y444 AromaticContact CE1-CE1 3.57Å; F413-Y444 HydrophobicContact CE1-CE1 3.57Å
414D93.2Very high90.9Very high59 Ų5957.5 Ų57.532%0.31628%0.279SS..Hα-helixtrans-66.9-48169.8-70.2-13.8000110.5R410 K411 A417 L418 R423R410-D414 WeakPolarHBondContact CG-OD2 3.32Å; R410-D414 IonicContact NE-OD2 3.94Å; R410-D414 WeakPolarHBondContact O-CB 3.39Å; R410-D414 PolarHBondContact O-N 2.75Å; K411-D414 PolarHBondContact O-N 3.18Å; D414-A417 PolarHBondContact O-N 3.1Å; D414-L418 PolarHBondContact O-N 3.29Å; D414-R423 IonicContact OD1-CZ 3.14Å; D414-R423 IonicContact OD1-NH1 2.65Å; D414-R423 PolarHBondContact OD1-NH1 2.86Å; D414-R423 IonicContact OD1-NH2 2.7Å; D414-R423 PolarHBondContact OD1-NH2 2.99Å
415A93.3Very high90.9Very high3 Ų354 Ų543%0.02526%0.263CS..Hα-helixtrans-63.4-40.7174.400000113I387 L394 I395 K411 A417 L418I387-A415 HydrophobicContact CD1-CB 4.41Å; I387-A415 HydrophobicContact CG2-CB 4.17Å; L394-A415 HydrophobicContact CB-CB 3.88Å; I395-A415 HydrophobicContact CD1-CB 3.78Å; I395-A415 HydrophobicContact CG1-CB 3.58Å; K411-A415 WeakPolarHBondContact O-CB 3.28Å; K411-A415 PolarHBondContact O-N 3.15Å; A415-A417 VanDerWaalsContact C-N 3.33Å; A415-A417 PolarHBondContact O-N 3.39Å; A415-L418 WeakPolarHBondContact O-CB 3.34Å; A415-L418 PolarHBondContact O-N 3.2Å
416A93.6Very high90.8Very high0 Ų055.8 Ų55.80%027%0.273CS..Hα-helixtrans-66.1-33.4177.200000113.1I387 A412 L418 L419 N420 V421 Y444 L448I387-A416 HydrophobicContact CD1-CB 3.99Å; A412-A416 VanDerWaalsContact O-CB 3.29Å; A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 3.23Å; A416-L418 VanDerWaalsContact C-N 3.27Å; A416-L418 PolarHBondContact O-N 2.9Å; A416-L419 CarbonylContact O-C 3.49Å; A416-L419 WeakPolarHBondContact O-CA 3.47Å; A416-L419 WeakPolarHBondContact O-CB 3.37Å; A416-L419 PolarHBondContact O-N 3.12Å; A416-N420 PolarHBondContact O-N 3.32Å; A416-V421 HydrophobicContact CB-CB 4.13Å; A416-V421 WeakPolarHBondContact O-CB 3.15Å; A416-V421 PolarHBondContact O-N 2.94Å; A416-V421 VanDerWaalsContact O-N 3.09Å; A416-Y444 WeakPolarHBondContact CB-OH 3.37Å; A416-L448 HydrophobicContact CB-CD2 4.01Å
417A92.1Very high90.7Very high37 Ų3751.1 Ų51.131%0.30626%0.258SS..Hα-helixtrans-64.9-30.9174.600000112.3F413 D414 A415 L419 N420F413-A417 WeakPolarHBondContact O-CB 3.28Å; F413-A417 PolarHBondContact O-N 2.96Å; F413-A417 VanDerWaalsContact O-N 3.09Å; D414-A417 PolarHBondContact O-N 3.1Å; A415-A417 VanDerWaalsContact C-N 3.33Å; A415-A417 PolarHBondContact O-N 3.39Å; A417-L419 PolarHBondContact O-N 3.12Å; A417-N420 PolarHBondContact O-N 2.84Å
418L91.4Very high90.4Very high128 Ų12850.1 Ų50.167%0.6726%0.255SS*.THydrogen-bonded Turntrans-70.4-11.1171.1-60.2172.6000113.2L394 D414 A415 A416L394-L418 HydrophobicContact CD1-CB 4.45Å; L394-L418 HydrophobicContact CD2-CD1 4Å; D414-L418 PolarHBondContact O-N 3.29Å; A415-L418 WeakPolarHBondContact O-CB 3.34Å; A415-L418 PolarHBondContact O-N 3.2Å; A416-L418 VanDerWaalsContact C-N 3.27Å; A416-L418 PolarHBondContact O-N 2.9Å
419L89.4Confident89.9Confident31 Ų3153.7 Ų53.716%0.16227%0.274CS..THydrogen-bonded Turntrans-105.119.5173.7-57.1177.4000112.1I387 R391 L394 A416 A417 V421 L452I387-L419 HydrophobicContact CG2-CD1 4.27Å; R391-L419 HydrophobicContact CG-CD1 4.28Å; R391-L419 HydrophobicContact CG-CD2 4.02Å; L394-L419 HydrophobicContact CD1-CD1 4.12Å; L394-L419 HydrophobicContact CD1-CD2 3.85Å; L394-L419 HydrophobicContact CD1-CG 3.88Å; A416-L419 CarbonylContact O-C 3.49Å; A416-L419 WeakPolarHBondContact O-CA 3.47Å; A416-L419 WeakPolarHBondContact O-CB 3.37Å; A416-L419 PolarHBondContact O-N 3.12Å; A417-L419 PolarHBondContact O-N 3.12Å; L419-V421 HydrophobicContact CB-CG2 4.47Å; L419-V421 PolarHBondContact O-N 3.17Å; L419-V421 VanDerWaalsContact O-N 3.15Å; L419-L452 HydrophobicContact CD1-CD2 3.74Å
420N89Confident89.4Confident155 Ų15553.9 Ų53.983%0.82928%0.275SS*.THydrogen-bonded Turntrans58.718.2-177.4-61-40.2000115A416 A417A416-N420 PolarHBondContact O-N 3.32Å; A417-N420 PolarHBondContact O-N 2.84Å
421V89Confident88.8Confident6 Ų650.3 Ų50.34%0.03627%0.267CS..  trans-80.6123.5175179.90000109.5A416 L419 Y444 N447 L448 A451A416-V421 HydrophobicContact CB-CB 4.13Å; A416-V421 WeakPolarHBondContact O-CB 3.15Å; A416-V421 PolarHBondContact O-N 2.94Å; A416-V421 VanDerWaalsContact O-N 3.09Å; L419-V421 HydrophobicContact CB-CG2 4.47Å; L419-V421 PolarHBondContact O-N 3.17Å; L419-V421 VanDerWaalsContact O-N 3.15Å; V421-Y444 HydrophobicContact CG1-CD2 4.2Å; V421-Y444 HydrophobicContact CG1-CE2 3.73Å; V421-N447 HydrophobicContact CG1-CB 4.01Å; V421-L448 HydrophobicContact CG1-CG 4.36Å; V421-L448 HydrophobicContact CG2-CD2 4.17Å; V421-A451 HydrophobicContact CG2-CB 3.59Å
422P86.2Confident88Confident70 Ų7051.8 Ų51.846%0.45528%0.277SS..  trans-69.1140-179.827.9-34.6000111.3L424 Y444P422-L424 HydrophobicContact CB-CD2 4.48Å; P422-L424 HydrophobicContact CG-CD2 4.41Å; P422-L424 PolarHBondContact O-N 3.08Å; P422-Y444 WeakPolarHBondContact O-CE2 3.38Å
423R85.1Confident87Confident125 Ų12556 Ų5647%0.47230%0.298SS..  trans-73.193177-62.5178.5-171.2-112.19.5110.4D414 I425D414-R423 IonicContact OD1-CZ 3.14Å; D414-R423 IonicContact OD1-NH1 2.65Å; D414-R423 PolarHBondContact OD1-NH1 2.86Å; D414-R423 IonicContact OD1-NH2 2.7Å; D414-R423 PolarHBondContact OD1-NH2 2.99Å; R423-I425 VanDerWaalsContact C-N 3.35Å
424L84.1Confident86Confident81 Ų8161 Ų6142%0.42433%0.328SS..  trans-85.4-6.5177-59.6-176.1000113.8P422 T443 Y444P422-L424 HydrophobicContact CB-CD2 4.48Å; P422-L424 HydrophobicContact CG-CD2 4.41Å; P422-L424 PolarHBondContact O-N 3.08Å; L424-T443 HydrophobicContact CD1-CG2 3.67Å; L424-Y444 HydrophobicContact CB-CD2 4.12Å; L424-Y444 HydrophobicContact CG-CD2 4.34Å
425I89.1Confident85.5Confident15 Ų1563.3 Ų63.38%0.07734%0.34CS..SBendtrans-136.9133-172-53.4179000108.6F383 F413 R423 M430 A440 V441 Y444F383-I425 HydrophobicContact CZ-CD1 4.29Å; F413-I425 WeakPolarHBondContact CD2-O 3.47Å; F413-I425 HydrophobicContact CE2-CB 3.76Å; F413-I425 HydrophobicContact CE2-CG2 3.76Å; F413-I425 VanDerWaalsContact CE2-O 3.31Å; F413-I425 WeakPolarHBondContact CE2-O 3.28Å; F413-I425 HydrophobicContact CZ-CB 3.87Å; F413-I425 HydrophobicContact CZ-CD1 4.45Å; F413-I425 HydrophobicContact CZ-CG2 3.85Å; R423-I425 VanDerWaalsContact C-N 3.35Å; I425-M430 HydrophobicContact CD1-CE 3.92Å; I425-M430 HydrophobicContact CG2-CE 3.68Å; I425-M430 HydrophobicContact CG2-CG 4.11Å; I425-A440 HydrophobicContact CG1-CB 4.38Å; I425-V441 HydrophobicContact CD1-CG2 4.31Å; I425-Y444 HydrophobicContact CD1-CD1 4.18Å; I425-Y444 HydrophobicContact CD1-CG 4.07Å; I425-Y444 HydrophobicContact CG1-CG 4.46Å
426D86.6Confident84.9Confident75 Ų7563.3 Ų63.340%0.40134%0.34SS..  trans-84.5132.9170.1-169.1-43.8000109.8N428 D429D426-N428 PolarHBondContact O-N 3.15Å; D426-N428 VanDerWaalsContact OD1-CB 3.28Å; D426-N428 WeakPolarHBondContact OD1-CB 3.46Å; D426-N428 PolarHBondContact OD1-N 3.39Å; D426-N428 PolarHBondContact OD1-ND2 3.09Å; D426-D429 WeakPolarHBondContact CB-OD2 3.27Å; D426-D429 PolarHBondContact O-N 3.44Å
427P88.4Confident84.5Confident21 Ų2167 Ų6714%0.13636%0.359CS..THydrogen-bonded Turntrans-54.5-20.1171.6-26.735.5000115R406 C409 R410 F413R406-P427 HydrophobicContact CG-CB 4.29Å; C409-P427 HydrophobicContact CB-CB 4.06Å; R410-P427 HydrophobicContact CB-CB 4.24Å; R410-P427 HydrophobicContact CB-CG 4.04Å; F413-P427 HydrophobicContact CD2-CG 3.76Å; F413-P427 HydrophobicContact CE2-CG 4.15Å
428N85.2Confident84.3Confident46 Ų4671 Ų7125%0.24637%0.37CS..THydrogen-bonded Turntrans-71.7-38172.4-69.4-84000112.5R58 D426 M430 V431 I432R58-N428 PolarHBondContact NH2-OD1 2.91Å; D426-N428 PolarHBondContact O-N 3.15Å; D426-N428 VanDerWaalsContact OD1-CB 3.28Å; D426-N428 WeakPolarHBondContact OD1-CB 3.46Å; D426-N428 PolarHBondContact OD1-N 3.39Å; D426-N428 PolarHBondContact OD1-ND2 3.09Å; N428-M430 VanDerWaalsContact C-N 3.3Å; N428-M430 PolarHBondContact O-N 2.98Å; N428-V431 WeakPolarHBondContact O-CB 3.38Å; N428-V431 PolarHBondContact O-N 3.07Å; N428-I432 HydrophobicContact CB-CD1 4.28Å; N428-I432 VanDerWaalsContact O-CG1 3.31Å; N428-I432 WeakPolarHBondContact O-CG1 3.41Å; N428-I432 PolarHBondContact O-N 2.72Å
429D82Confident84Confident75 Ų7569.3 Ų69.340%0.40136%0.36SS..Hα-helixtrans-64.7-38.2-176.8-61.8-27.4000110.8D426 V431 I432 M433D426-D429 WeakPolarHBondContact CB-OD2 3.27Å; D426-D429 PolarHBondContact O-N 3.44Å; D429-V431 PolarHBondContact O-N 3.41Å; D429-I432 PolarHBondContact O-N 3.37Å; D429-M433 WeakPolarHBondContact O-CB 3.22Å; D429-M433 PolarHBondContact O-N 2.87Å
430M83.3Confident84Confident4 Ų469.2 Ų69.22%0.0236%0.364CS..Hα-helixtrans-62.2-25.4173.5-71.4-71.9164.200113.9R378 F383 I405 I425 N428 P436 V441R378-M430 WeakPolarHBondContact CG-O 3.25Å; R378-M430 PolarHBondContact NE-O 3.38Å; F383-M430 HydrophobicContact CE2-CE 4.16Å; F383-M430 HydrophobicContact CZ-CE 4.25Å; I405-M430 HydrophobicContact CG2-CB 4.29Å; I425-M430 HydrophobicContact CD1-CE 3.92Å; I425-M430 HydrophobicContact CG2-CE 3.68Å; I425-M430 HydrophobicContact CG2-CG 4.11Å; N428-M430 VanDerWaalsContact C-N 3.3Å; N428-M430 PolarHBondContact O-N 2.98Å; M430-P436 HydrophobicContact CE-CB 3.56Å; M430-P436 HydrophobicContact CE-CG 4.06Å; M430-P436 HydrophobicContact SD-CB 3.56Å; M430-P436 VanDerWaalsContact SD-CB 3.56Å; M430-P436 HydrophobicContact SD-CG 3.77Å; M430-V441 HydrophobicContact CE-CG2 3.72Å
431V82.5Confident84.2Confident46 Ų4661.8 Ų61.828%0.27933%0.325SS..Hα-helixtrans-83.2-46.7173.8-179.60000110.5R378 I405 R406 N428 D429R378-V431 PolarHBondContact NH2-O 2.77Å; I405-V431 HydrophobicContact CB-CG2 4.24Å; I405-V431 HydrophobicContact CG2-CB 4.46Å; I405-V431 HydrophobicContact CG2-CG2 3.69Å; R406-V431 HydrophobicContact CB-CG2 3.79Å; R406-V431 HydrophobicContact CG-CG2 4.34Å; N428-V431 WeakPolarHBondContact O-CB 3.38Å; N428-V431 PolarHBondContact O-N 3.07Å; D429-V431 PolarHBondContact O-N 3.41Å
432I76.4Confident84.3Confident111 Ų11163.9 Ų63.957%0.56933%0.334SS*.Hα-helixtrans-69.9-43.5-172.8-67.1164.4000111.5N428 D429N428-I432 HydrophobicContact CB-CD1 4.28Å; N428-I432 VanDerWaalsContact O-CG1 3.31Å; N428-I432 WeakPolarHBondContact O-CG1 3.41Å; N428-I432 PolarHBondContact O-N 2.72Å; D429-I432 PolarHBondContact O-N 3.37Å
433M72.1Confident84.5Confident87 Ų8763.2 Ų63.243%0.42933%0.329SS..  trans-84.8129-179.9-59.3-17874.700110.4R378 D429 I435R378-M433 PolarHBondContact NE-O 2.77Å; R378-M433 PolarHBondContact NH2-O 2.97Å; D429-M433 WeakPolarHBondContact O-CB 3.22Å; D429-M433 PolarHBondContact O-N 2.87Å; M433-I435 VanDerWaalsContact C-N 3.27Å
434T73.3Confident84.9Confident105 Ų10557.3 Ų57.364%0.64431%0.307SS*.SBendtrans-67.3-32.217343.50000112.2R378R378-T434 VanDerWaalsContact CD-O 3.24Å; R378-T434 WeakPolarHBondContact CD-O 3.3Å; R378-T434 PolarHBondContact NH1-O 3.1Å
435I82.4Confident85.3Confident108 Ų10853.4 Ų53.455%0.55429%0.287SS*.SBendtrans-128.3110.3175-55.5175000106.4M433M433-I435 VanDerWaalsContact C-N 3.27Å
436P81.8Confident85.5Confident4 Ų458.4 Ų58.43%0.02631%0.305CS..  trans-73.1154.517730.5-34.4000111.2S374 R378 M430 K438 V441S374-P436 WeakPolarHBondContact CB-O 3.18Å; S374-P436 VanDerWaalsContact O-CG 3.3Å; S374-P436 WeakPolarHBondContact O-CG 3.44Å; R378-P436 HydrophobicContact CB-CG 4.21Å; M430-P436 HydrophobicContact CE-CB 3.56Å; M430-P436 HydrophobicContact CE-CG 4.06Å; M430-P436 HydrophobicContact SD-CB 3.56Å; M430-P436 VanDerWaalsContact SD-CB 3.56Å; M430-P436 HydrophobicContact SD-CG 3.77Å; P436-K438 PolarHBondContact O-N 2.9Å; P436-V441 HydrophobicContact CB-CG2 4.35Å; P436-V441 HydrophobicContact CG-CG2 4.41Å
437D85.9Confident85.7Confident76 Ų7657.1 Ų57.141%0.40630%0.298SS..  trans-59.1124.2-177.7169.932.3000112.6I439 A440 V441D437-I439 VanDerWaalsContact C-N 3.26Å; D437-I439 PolarHBondContact O-N 2.99Å; D437-I439 PolarHBondContact OD1-N 3.3Å; D437-A440 HydrophobicContact CB-CB 4.06Å; D437-A440 PolarHBondContact O-N 3.14Å; D437-A440 VanDerWaalsContact OD2-CB 3.31Å; D437-A440 WeakPolarHBondContact OD2-CB 3.45Å; D437-A440 PolarHBondContact OD2-N 3.36Å; D437-V441 WeakPolarHBondContact O-CG2 3.23Å; D437-V441 PolarHBondContact O-N 3.22Å
438K87.9Confident85.9Confident122 Ų12256.1 Ų56.153%0.5329%0.292SS..Hα-helixtrans-56.9-37.5177.1-171-173.5177.2-1770112.3F373 P436 M442F373-K438 HydrophobicContact CB-CG 4.04Å; F373-K438 WeakPolarHBondContact O-CA 3.44Å; P436-K438 PolarHBondContact O-N 2.9Å; K438-M442 WeakPolarHBondContact O-CB 3.29Å; K438-M442 PolarHBondContact O-N 3.39Å
439I85.2Confident86.3Confident92 Ų9256 Ų5647%0.47229%0.289SS..Hα-helixtrans-76.4-48.1-176-57.1179.2000110.2D437 V441 M442 T443D437-I439 VanDerWaalsContact C-N 3.26Å; D437-I439 PolarHBondContact O-N 2.99Å; D437-I439 PolarHBondContact OD1-N 3.3Å; I439-V441 PolarHBondContact O-N 3.02Å; I439-M442 PolarHBondContact O-N 3.18Å; I439-T443 WeakPolarHBondContact O-CB 3.36Å; I439-T443 PolarHBondContact O-N 2.84Å; I439-T443 PolarHBondContact O-OG1 3.36Å
440A88.8Confident86.6Confident29 Ų2953.1 Ų53.124%0.2428%0.276CS..Hα-helixtrans-56.1-47.6173.900000112.2I425 D437 T443 Y444I425-A440 HydrophobicContact CG1-CB 4.38Å; D437-A440 HydrophobicContact CB-CB 4.06Å; D437-A440 PolarHBondContact O-N 3.14Å; D437-A440 VanDerWaalsContact OD2-CB 3.31Å; D437-A440 WeakPolarHBondContact OD2-CB 3.45Å; D437-A440 PolarHBondContact OD2-N 3.36Å; A440-T443 PolarHBondContact O-N 3.16Å; A440-Y444 WeakPolarHBondContact O-CB 3.18Å; A440-Y444 PolarHBondContact O-N 3.2Å
441V92.1Very high86.9Confident0 Ų055.2 Ų55.20%029%0.294CS..Hα-helixtrans-62.3-50.5176.7172.90000111.1F373 W377 F383 I425 M430 P436 D437 I439 T443 Y444 V445F373-V441 HydrophobicContact CB-CB 4.47Å; F373-V441 HydrophobicContact CB-CG1 4.07Å; F373-V441 HydrophobicContact CD1-CG1 4.3Å; F373-V441 WeakPolarHBondContact O-CB 3.34Å; F373-V441 WeakPolarHBondContact O-CG1 3.26Å; W377-V441 HydrophobicContact CB-CG1 4.03Å; W377-V441 HydrophobicContact CD2-CG1 3.99Å; W377-V441 HydrophobicContact CG-CG1 3.62Å; F383-V441 HydrophobicContact CZ-CG1 4.28Å; F383-V441 HydrophobicContact CZ-CG2 4.43Å; I425-V441 HydrophobicContact CD1-CG2 4.31Å; M430-V441 HydrophobicContact CE-CG2 3.72Å; P436-V441 HydrophobicContact CB-CG2 4.35Å; P436-V441 HydrophobicContact CG-CG2 4.41Å; D437-V441 WeakPolarHBondContact O-CG2 3.23Å; D437-V441 PolarHBondContact O-N 3.22Å; I439-V441 PolarHBondContact O-N 3.02Å; V441-T443 VanDerWaalsContact C-N 3.31Å; V441-T443 PolarHBondContact O-N 2.94Å; V441-Y444 PolarHBondContact O-N 3.45Å; V441-V445 HydrophobicContact CG1-CG2 4.15Å; V441-V445 WeakPolarHBondContact O-CB 3.42Å; V441-V445 WeakPolarHBondContact O-CG2 3.37Å; V441-V445 PolarHBondContact O-N 2.85Å
442M91.8Very high87.2Confident49 Ų4954 Ų5424%0.24129%0.286CS..Hα-helixtrans-60.2-40.9-179.2-170.2-172.7-64.100112L354 F373 K438 I439 V445 Y446L354-M442 HydrophobicContact CD2-CG 3.67Å; F373-M442 HydrophobicContact CB-CB 4.43Å; F373-M442 HydrophobicContact CD1-CB 4.28Å; F373-M442 HydrophobicContact CD1-CG 4.45Å; F373-M442 HydrophobicContact CD2-CE 3.72Å; F373-M442 HydrophobicContact CE1-CG 4.49Å; F373-M442 HydrophobicContact CE2-CE 4.05Å; F373-M442 HydrophobicContact CG-CB 4.22Å; F373-M442 HydrophobicContact CG-CE 4.3Å; F373-M442 HydrophobicContact CG-CG 4.45Å; K438-M442 WeakPolarHBondContact O-CB 3.29Å; K438-M442 PolarHBondContact O-N 3.39Å; I439-M442 PolarHBondContact O-N 3.18Å; M442-V445 PolarHBondContact O-N 3.17Å; M442-Y446 WeakPolarHBondContact O-CB 3.49Å; M442-Y446 PolarHBondContact O-N 2.79Å
443T89.9Confident87.7Confident57 Ų5751.8 Ų51.835%0.3528%0.277SS..Hα-helixtrans-66.5-42.5178.2-51.50000111.6L424 I439 A440 V441 Y446 N447L424-T443 HydrophobicContact CD1-CG2 3.67Å; I439-T443 WeakPolarHBondContact O-CB 3.36Å; I439-T443 PolarHBondContact O-N 2.84Å; I439-T443 PolarHBondContact O-OG1 3.36Å; A440-T443 PolarHBondContact O-N 3.16Å; V441-T443 VanDerWaalsContact C-N 3.31Å; V441-T443 PolarHBondContact O-N 2.94Å; T443-Y446 PolarHBondContact O-N 3.31Å; T443-N447 PolarHBondContact O-N 2.9Å
444Y93.5Very high87.6Confident0 Ų050.7 Ų50.70%029%0.288CS..Hα-helixtrans-68.4-39.5177.7-173.5-106.8000112.2F383 F413 A416 V421 P422 L424 I425 A440 V441 N447 L448F383-Y444 AromaticContact CD1-CD1 3.95Å; F383-Y444 HydrophobicContact CD1-CD1 3.95Å; F383-Y444 AromaticContact CD1-CE1 3.96Å; F383-Y444 HydrophobicContact CD1-CE1 3.96Å; F383-Y444 AromaticContact CE1-CD1 3.64Å; F383-Y444 HydrophobicContact CE1-CD1 3.64Å; F383-Y444 HydrophobicContact CE1-CE1 4.09Å; F383-Y444 HydrophobicContact CZ-CD1 4.34Å; F413-Y444 AromaticContact CD1-CE1 3.65Å; F413-Y444 HydrophobicContact CD1-CE1 3.65Å; F413-Y444 AromaticContact CD1-CZ 3.64Å; F413-Y444 VanDerWaalsContact CD1-OH 3.24Å; F413-Y444 WeakPolarHBondContact CD1-OH 3.23Å; F413-Y444 HydrophobicContact CE1-CD1 4.29Å; F413-Y444 AromaticContact CE1-CE1 3.57Å; F413-Y444 HydrophobicContact CE1-CE1 3.57Å; A416-Y444 WeakPolarHBondContact CB-OH 3.37Å; V421-Y444 HydrophobicContact CG1-CD2 4.2Å; V421-Y444 HydrophobicContact CG1-CE2 3.73Å; P422-Y444 WeakPolarHBondContact O-CE2 3.38Å; L424-Y444 HydrophobicContact CB-CD2 4.12Å; L424-Y444 HydrophobicContact CG-CD2 4.34Å; I425-Y444 HydrophobicContact CD1-CD1 4.18Å; I425-Y444 HydrophobicContact CD1-CG 4.07Å; I425-Y444 HydrophobicContact CG1-CG 4.46Å; A440-Y444 WeakPolarHBondContact O-CB 3.18Å; A440-Y444 PolarHBondContact O-N 3.2Å; V441-Y444 PolarHBondContact O-N 3.45Å; Y444-N447 PolarHBondContact O-N 2.82Å; Y444-L448 HydrophobicContact CD1-CD1 3.84Å; Y444-L448 HydrophobicContact CE1-CD1 3.55Å; Y444-L448 HydrophobicContact CE1-CG 4.32Å; Y444-L448 PolarHBondContact O-N 2.87Å
445V93.6Very high86.8Confident0 Ų048.6 Ų48.60%028%0.282CS..Hα-helixtrans-67.3-34.1174.3173.30000111.9L354 W357 C358 F373 W377 F383 L386 V441 M442 L448 K449L354-V445 HydrophobicContact CD1-CG1 4.15Å; L354-V445 HydrophobicContact CD2-CG1 4.28Å; L354-V445 HydrophobicContact CG-CG1 4.15Å; W357-V445 HydrophobicContact CZ3-CG1 4.05Å; C358-V445 WeakPolarHBondContact SG-CG1 3.2Å; F373-V445 HydrophobicContact CE1-CG1 4.19Å; W377-V445 HydrophobicContact CD2-CG2 4.26Å; W377-V445 HydrophobicContact CE3-CG2 3.98Å; W377-V445 HydrophobicContact CH2-CB 4.49Å; W377-V445 HydrophobicContact CH2-CG1 3.97Å; W377-V445 HydrophobicContact CH2-CG2 3.58Å; W377-V445 HydrophobicContact CZ2-CG1 4.23Å; W377-V445 HydrophobicContact CZ2-CG2 3.87Å; W377-V445 HydrophobicContact CZ3-CG2 3.65Å; F383-V445 HydrophobicContact CD1-CG2 4.4Å; F383-V445 HydrophobicContact CE1-CG2 3.85Å; L386-V445 HydrophobicContact CD2-CG1 4.37Å; V441-V445 HydrophobicContact CG1-CG2 4.15Å; V441-V445 WeakPolarHBondContact O-CB 3.42Å; V441-V445 WeakPolarHBondContact O-CG2 3.37Å; V441-V445 PolarHBondContact O-N 2.85Å; M442-V445 PolarHBondContact O-N 3.17Å; V445-L448 PolarHBondContact O-N 2.75Å; V445-K449 PolarHBondContact O-N 2.91Å
446Y92.4Very high84.5Confident120 Ų12047.7 Ų47.747%0.47129%0.285SS..Hα-helixtrans-65-44.5172.1-176.2-86.9000111.9V349 M442 T443 L448 K449 A450V349-Y446 HydrophobicContact CB-CE2 4.24Å; V349-Y446 HydrophobicContact CG2-CE2 4.25Å; M442-Y446 WeakPolarHBondContact O-CB 3.49Å; M442-Y446 PolarHBondContact O-N 2.79Å; T443-Y446 PolarHBondContact O-N 3.31Å; Y446-L448 VanDerWaalsContact C-N 3.34Å; Y446-L448 PolarHBondContact O-N 2.89Å; Y446-K449 WeakPolarHBondContact O-CB 3.26Å; Y446-K449 PolarHBondContact O-N 2.79Å; Y446-K449 VanDerWaalsContact O-N 3.16Å; Y446-A450 PolarHBondContact O-N 3.41Å
447N91.2Very high82.4Confident47 Ų4751.7 Ų51.725%0.25131%0.311SS..Hα-helixtrans-65.3-37.8175.5-69.1-13000112.1V421 T443 Y444 A450 A451V421-N447 HydrophobicContact CG1-CB 4.01Å; T443-N447 PolarHBondContact O-N 2.9Å; Y444-N447 PolarHBondContact O-N 2.82Å; N447-A450 PolarHBondContact O-N 2.91Å; N447-A451 PolarHBondContact O-N 3.46Å; N447-A451 VanDerWaalsContact O-N 3.09Å
448L92.5Very high79.9Confident0 Ų053.9 Ų53.90%033%0.327CS..Hα-helixtrans-60.1-45.9169.2-81.8165.9000111.3F383 L386 I387 A416 V421 Y444 V445 Y446 A450 A451 L452F383-L448 HydrophobicContact CD1-CD1 4.18Å; L386-L448 HydrophobicContact CD2-CB 4.29Å; L386-L448 HydrophobicContact CD2-CD1 4.26Å; I387-L448 HydrophobicContact CD1-CD2 4.16Å; I387-L448 HydrophobicContact CG1-CD2 3.85Å; A416-L448 HydrophobicContact CB-CD2 4.01Å; V421-L448 HydrophobicContact CG1-CG 4.36Å; V421-L448 HydrophobicContact CG2-CD2 4.17Å; Y444-L448 HydrophobicContact CD1-CD1 3.84Å; Y444-L448 HydrophobicContact CE1-CD1 3.55Å; Y444-L448 HydrophobicContact CE1-CG 4.32Å; Y444-L448 PolarHBondContact O-N 2.87Å; V445-L448 PolarHBondContact O-N 2.75Å; Y446-L448 VanDerWaalsContact C-N 3.34Å; Y446-L448 PolarHBondContact O-N 2.89Å; L448-A450 PolarHBondContact O-N 3.04Å; L448-A451 PolarHBondContact O-N 2.86Å; L448-L452 HydrophobicContact CB-CD1 4.08Å; L448-L452 HydrophobicContact CD2-CD1 4.16Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CD1 3.35Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.12Å
449K92.9Very high77.3Confident43 Ų4355.1 Ų55.119%0.18734%0.339CS..Hα-helixtrans-54.9-51.8175.6-173.8174.9175.8-1790111.3L354 W357 V445 Y446 A451 L452 T453L354-K449 HydrophobicContact CD1-CB 4.25Å; L354-K449 HydrophobicContact CD1-CD 3.63Å; W357-K449 HydrophobicContact CD2-CB 4.41Å; W357-K449 HydrophobicContact CD2-CD 3.84Å; W357-K449 HydrophobicContact CD2-CG 3.91Å; W357-K449 HydrophobicContact CE3-CB 4.01Å; W357-K449 HydrophobicContact CE3-CD 3.86Å; W357-K449 HydrophobicContact CE3-CG 3.97Å; W357-K449 HydrophobicContact CG-CD 4.22Å; W357-K449 VanDerWaalsContact CH2-CA 3.4Å; W357-K449 HydrophobicContact CH2-CB 3.55Å; W357-K449 HydrophobicContact CH2-CG 3.96Å; W357-K449 HydrophobicContact CZ2-CB 4.01Å; W357-K449 HydrophobicContact CZ2-CG 3.91Å; W357-K449 HydrophobicContact CZ3-CB 3.55Å; W357-K449 HydrophobicContact CZ3-CD 4.31Å; W357-K449 HydrophobicContact CZ3-CG 3.99Å; V445-K449 PolarHBondContact O-N 2.91Å; Y446-K449 WeakPolarHBondContact O-CB 3.26Å; Y446-K449 PolarHBondContact O-N 2.79Å; Y446-K449 VanDerWaalsContact O-N 3.16Å; K449-A451 PolarHBondContact O-N 2.84Å; K449-L452 PolarHBondContact O-N 2.94Å; K449-T453 HydrophobicContact CG-CG2 4.18Å; K449-T453 WeakPolarHBondContact O-CG2 3.45Å; K449-T453 PolarHBondContact O-N 3.45Å; K449-T453 PolarHBondContact O-OG1 3.17Å
450A89.1Confident75Confident15 Ų1558 Ų5812%0.12436%0.356CS..Hα-helixtrans-55.5-48.3179.500000112.7Y446 N447 L448 G454 A455Y446-A450 PolarHBondContact O-N 3.41Å; N447-A450 PolarHBondContact O-N 2.91Å; L448-A450 PolarHBondContact O-N 3.04Å; A450-G454 PolarHBondContact O-N 2.61Å; A450-A455 PolarHBondContact O-N 3.48Å
451A88.9Confident72.6Confident49 Ų4960.3 Ų60.341%0.40538%0.375SS..Hα-helixtrans-69.5-39.1179.600000113.5V421 N447 L448 K449V421-A451 HydrophobicContact CG2-CB 3.59Å; N447-A451 PolarHBondContact O-N 3.46Å; N447-A451 VanDerWaalsContact O-N 3.09Å; L448-A451 PolarHBondContact O-N 2.86Å; K449-A451 PolarHBondContact O-N 2.84Å
452L89.5Confident69.9Low20 Ų2067.3 Ų67.311%0.10541%0.412CS..Hα-helixtrans-79.7-33.3-175.8-64.1167.6000112.8W357 L386 Y390 L419 L448 K449W357-L452 HydrophobicContact CH2-CD1 4.37Å; L386-L452 HydrophobicContact CG-CD1 4.14Å; Y390-L452 HydrophobicContact CD1-CB 4.21Å; Y390-L452 VanDerWaalsContact CD1-O 3.25Å; Y390-L452 WeakPolarHBondContact CD1-O 3.35Å; Y390-L452 HydrophobicContact CD2-CB 3.84Å; Y390-L452 HydrophobicContact CD2-CD1 4.08Å; Y390-L452 HydrophobicContact CD2-CD2 4.09Å; Y390-L452 HydrophobicContact CD2-CG 4.23Å; Y390-L452 HydrophobicContact CE1-CB 4.36Å; Y390-L452 WeakPolarHBondContact CE1-O 3.26Å; Y390-L452 HydrophobicContact CE2-CB 4Å; Y390-L452 HydrophobicContact CE2-CD1 4.33Å; Y390-L452 HydrophobicContact CG-CB 3.96Å; Y390-L452 HydrophobicContact CG-CD2 4.12Å; L419-L452 HydrophobicContact CD1-CD2 3.74Å; L448-L452 HydrophobicContact CB-CD1 4.08Å; L448-L452 HydrophobicContact CD2-CD1 4.16Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CD1 3.35Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.12Å; K449-L452 PolarHBondContact O-N 2.94Å
453T86.1Confident67.2Low64 Ų6471.2 Ų71.239%0.39344%0.439SS..THydrogen-bonded Turntrans-94.46.1178.874.60000113.9W357 Y390 K449 A455W357-T453 HydrophobicContact CZ2-CG2 4.17Å; Y390-T453 HydrophobicContact CE1-CG2 4.47Å; K449-T453 HydrophobicContact CG-CG2 4.18Å; K449-T453 WeakPolarHBondContact O-CG2 3.45Å; K449-T453 PolarHBondContact O-N 3.45Å; K449-T453 PolarHBondContact O-OG1 3.17Å; T453-A455 PolarHBondContact O-N 3.43Å
454G71.4Confident64.5Low64 Ų6473.6 Ų73.666%0.6646%0.458SS*.THydrogen-bonded Turntrans67.712.9-178.500000114.8A450 S456A450-G454 PolarHBondContact O-N 2.61Å; G454-S456 PolarHBondContact O-N 3.32Å
455A55.4Low61.6Low61 Ų6180.9 Ų80.950%0.50450%0.497SS..  trans-82.868.7178.700000109.8A450 T453 P457A450-A455 PolarHBondContact O-N 3.48Å; T453-A455 PolarHBondContact O-N 3.43Å; A455-P457 VanDerWaalsContact O-CD 3.28Å; A455-P457 WeakPolarHBondContact O-CD 3.44Å
456S35.4Very low58.7Low90 Ų9084.7 Ų84.763%0.62953%0.528SS*.  trans-66.1117.7-173.2-170.90000112.2G454 V458G454-S456 PolarHBondContact O-N 3.32Å; S456-V458 PolarHBondContact O-N 3.48Å
457P37.8Very low55.7Low88 Ų8887.1 Ų87.157%0.57155%0.548SS*.  trans-70.7120.716130.5-31.2000108A455 N459A455-P457 VanDerWaalsContact O-CD 3.28Å; A455-P457 WeakPolarHBondContact O-CD 3.44Å; P457-N459 PolarHBondContact O-N 3.03Å
458V33.5Very low52.7Low122 Ų12290.6 Ų90.674%0.73957%0.572SS**  trans-42.3106.9-168.6-159.80000113.2S456S456-V458 PolarHBondContact O-N 3.48Å
459N33.4Very low49.8Very low147 Ų14798.2 Ų98.279%0.78661%0.611SS**  trans-111.6105.6163-82.6-45.6000106.9P457 A461P457-N459 PolarHBondContact O-N 3.03Å; N459-A461 PolarHBondContact O-N 3.28Å
460D36.3Very low46.7Very low154 Ų15499.4 Ų99.482%0.82464%0.635SS**  trans-69.9130.4175.9-76.6-62.5000111.4
461A37.8Very low44.1Very low77 Ų77104.3 Ų104.364%0.63667%0.668SS**  trans-33.2142.3177.800000118.4N459N459-A461 PolarHBondContact O-N 3.28Å
462D34.9Very low41.4Very low147 Ų147110.6 Ų110.679%0.78669%0.686SS**  54.8158124.9-63.6-39.6000120.6
463V36.9Very low38.6Very low130 Ų130116.2 Ų116.279%0.78872%0.716SS**  cis-131.9135.618.7-178.40000110.7
464S32Very low36Very low107 Ų107117.8 Ų117.875%0.74873%0.725SS**  trans-91129.9160.158.30000110.5
465D32.8Very low34.3Very low154 Ų154123.3 Ų123.382%0.82473%0.734SS**  trans-154.6156154.5-141.4-17.3000114.9
466A33.1Very low33.3Very low80 Ų80124.9 Ų124.966%0.66174%0.741SS**  trans44.799.1161.500000119.6
467L29.4Very low33.3Very low171 Ų171126.4 Ų126.490%0.89575%0.752SS**  trans-62.1132.5133.1-67.499.5000108.4
468T28.9Very low33.2Very low120 Ų120126.1 Ų126.174%0.73677%0.765SS**  trans169.4123.2140.3-79.70000112.2
469I30.5Very low33.2Very low160 Ų160132 Ų13282%0.82177%0.774SS**  trans48.1103.6156-55.9165.2000118.7
470G28.1Very low33.6Very low67 Ų67130.7 Ų130.769%0.69177%0.773SS**  87.4148.711100000121.8
471S33.6Very low33.5Very low118 Ų118128.5 Ų128.583%0.82577%0.77SS**  trans64.788.1158.640.60000121.3
472K32.2Very low33.2Very low182 Ų182129.7 Ų129.779%0.79177%0.773SS**  59.9138.2112.1-120.6-168.6173.1-176.30121.3
473L31.7Very low33.3Very low138 Ų138130.8 Ų130.872%0.72378%0.777SS**  trans74.3147.2154.6-58.8169.5000117.1
474T30.6Very low32.9Very low97 Ų97129.1 Ų129.160%0.59578%0.778SS**  cis-170.9143.3-29.218.20000108.4
475Q35.6Very low33.1Very low180 Ų180129.1 Ų129.184%0.84178%0.778SS**  trans59.8150.7147.3-66.2173.61900118.5
476S36.1Very low33.2Very low93 Ų93125.9 Ų125.965%0.6577%0.767SS**  cis-171.3156.8-10.849.30000110.5
477S35Very low33.5Very low123 Ų123129.8 Ų129.886%0.8677%0.771SS**  trans64.3126.8150.8-58.60000121
478G35.7Very low33.8Very low81 Ų81126.8 Ų126.884%0.83576%0.76SS**  trans169.8116.7163.100000112.6
479R33.7Very low34.2Very low247 Ų247127 Ų12793%0.93277%0.766SS**  trans-103.6141.6-177.4-171.2178.2179.4-172.6-0.3110.8
480P40.5Very low34.6Very low119 Ų119126.6 Ų126.677%0.77377%0.766SS**  trans-96.4164.9-170.237.7-37.6000114.8
481S34.8Very low34.7Very low107 Ų107130.6 Ų130.675%0.74877%0.766SS**  trans-159.7127.6160.657.40000112.8
482S31Very low35Very low102 Ų102129.2 Ų129.271%0.71376%0.755SS**  trans31.6131147.761.40000122
483I36.6Very low35Very low170 Ų170130.4 Ų130.487%0.87275%0.754SS**  -171.4151.5112-95.5154.3000109.1
484A30.2Very low35.2Very low96 Ų96131.6 Ų131.679%0.79376%0.761SS**  trans-117.7157.2178.600000111.2
485S34.6Very low35.3Very low107 Ų107131.2 Ų131.275%0.74877%0.767SS**  trans-165.4147.3161-154.10000113.1
486S35.9Very low35.3Very low86 Ų86129.6 Ų129.660%0.60177%0.769SS**  trans65.9149.6147.5-60.60000119.9
487E38.3Very low35.2Very low161 Ų161130.3 Ų130.375%0.75277%0.774SS**  cis-152.7129.6-8.5-118144.2-12800109.2
488V36Very low35.6Very low109 Ų109130.1 Ų130.166%0.66177%0.77SS**  69.7120.2101.6177.20000116.7
489S38Very low35.4Very low124 Ų124131.4 Ų131.487%0.86777%0.766SS**  trans-152148.3147.6-79.10000108.4
490N38Very low35.3Very low152 Ų152128.5 Ų128.581%0.81376%0.76SS**  trans-94.6149-152.7-69.4-45000116.7
491E31.5Very low34.8Very low150 Ų150130.3 Ų130.370%0.70176%0.763SS**  trans-65.5-178.5155.1-132.9-120.8125.300109.5R493E491-R493 PolarHBondContact OE1-N 3.04Å
492P40.3Very low34.9Very low89 Ų89130.6 Ų130.658%0.57876%0.764SS**  cis-148.9174.819.544.9-24.7000121
493R31.7Very low35.2Very low207 Ų207130.9 Ų130.978%0.78177%0.766SS**  trans68.7158.1143.9-81.1161.5-162.5-134.90.4118.8E491E491-R493 PolarHBondContact OE1-N 3.04Å
494L36.3Very low35.3Very low164 Ų164128.2 Ų128.286%0.85976%0.76SS**  cis-130.5166.510.8-109.1175.9000111.4
495A31.1Very low35.5Very low88 Ų88129.6 Ų129.673%0.72776%0.764SS**  trans-107.2169.5179.700000113.7
496V35.8Very low35.5Very low146 Ų146133.1 Ų133.189%0.88577%0.769SS**  trans-164.3154.3143.4136.10000110.2
497S34.8Very low36Very low109 Ų109133.2 Ų133.276%0.76277%0.768SS**  trans-106.8170.9-167.6-50.60000113.6
498P44Very low36Very low118 Ų118131.7 Ų131.777%0.76677%0.772SS**  trans-99.8171.6-160.739.3-37.2000115.6
499S31.6Very low35.8Very low108 Ų108135.5 Ų135.576%0.75578%0.779SS**  trans178.7148.1136.144.10000117.3
500K31.3Very low35.6Very low187 Ų187135 Ų13581%0.81378%0.776SS**  trans76.3139.4138.7-84.3176177.5-179.30124.6
501L30.3Very low35.4Very low157 Ų157135.7 Ų135.782%0.82278%0.776SS**  trans69.3151.1153.5-92.165.7000117.8
502S35.6Very low35.5Very low112 Ų112140.8 Ų140.878%0.78379%0.789SS**  cis-154.8167.7-1.847.60000113.1
503S37Very low35Very low108 Ų108141.6 Ų141.676%0.75580%0.797SS**  trans-79.3-166173.359.60000112.9
504P39.5Very low34.8Very low114 Ų114137.4 Ų137.474%0.7480%0.798SS**  cis-139.7-178.5-3.844.2-26.6000116.5
505S34.8Very low34.6Very low125 Ų125135 Ų13587%0.87480%0.795SS**  trans170.5157.1133.940.90000113.4
506E33.5Very low34.9Very low181 Ų181137 Ų13785%0.84680%0.8SS**  trans-155.5-167.9-173.3-153.3-158.7-132.800110.6
507P47.7Very low34.6Very low89 Ų89135.9 Ų135.958%0.57880%0.799SS**  -95.2-164.9-110.138.4-20.3000114.9
508P38Very low34.5Very low129 Ų129134.1 Ų134.184%0.83880%0.798SS**  -150.1155.4103.538-20.6000119.5
509K31.5Very low33.9Very low189 Ų189136.3 Ų136.382%0.82280%0.803SS**  trans-51.9151.7172.7-56152.3-177.1176.10117.4
510S34.5Very low33.7Very low114 Ų114139.4 Ų139.480%0.79781%0.806SS**  trans-164.2107.1140.7-171.60000109
511M31.9Very low33.6Very low166 Ų166135.3 Ų135.382%0.81880%0.799SS**  66.990.566.7-68.5-158.874.700116.8
512R34.7Very low33.5Very low256 Ų256132.4 Ų132.497%0.96680%0.797SS**  trans-155157.7130.3-110.7171.6-164.3-152.31.5111.2
513S28.6Very low33.1Very low107 Ų107138.6 Ų138.675%0.74880%0.803SS**  trans-140.1151.5-168.254.20000111.7
514C28.8Very low32.7Very low119 Ų119140 Ų14080%0.80480%0.802SS**  trans165.6103.7154.5-93.30000105.6
515S31.6Very low32.1Very low113 Ų113139.5 Ų139.579%0.7980%0.801SS**  83.7135.768.7-65.10000112.6
516P37.5Very low31.9Very low129 Ų129143 Ų14384%0.83880%0.796SS**  trans-114.3151.5-153.340-29.7000116
517S29.4Very low31.8Very low124 Ų124140.5 Ų140.587%0.86779%0.794SS**  trans-171.9139.5162.556.10000108.5
518G32.8Very low30.9Very low72 Ų72143 Ų14374%0.74280%0.801SS**  cis-162.8-174-1.300000110.5
519D30.4Very low30.4Very low163 Ų163141.4 Ų141.487%0.87279%0.793SS**  trans-76.8146.1-162.7-46.8-96.5000115.7
520E27.7Very low30.7Very low173 Ų173135.3 Ų135.381%0.80878%0.778SS**  trans-160.5113.4145.3-116.7-58.1132.100109.3A522E520-A522 PolarHBondContact O-N 3.23Å
521P29.5Very low30.5Very low102 Ų102135.5 Ų135.566%0.66277%0.77SS**  trans-86.5112.2-176.532.4-31.9000111.8R523P521-R523 PolarHBondContact O-N 3.41Å
522A29.3Very low30.6Very low96 Ų96131.6 Ų131.679%0.79376%0.759SS**  trans-56.1110.8179.200000112.5E520 L524E520-A522 PolarHBondContact O-N 3.23Å; A522-L524 PolarHBondContact O-N 3.43Å
523R27.1Very low30.6Very low241 Ų241122.8 Ų122.891%0.90973%0.73SS**  trans-58.4106.8175.7-84.7176.2153.1-169.8-7.3111.6P521 S525P521-R523 PolarHBondContact O-N 3.41Å; R523-S525 PolarHBondContact O-N 3.38Å; R523-S525 VanDerWaalsContact O-N 3.16Å
524L28.8Very low31Very low139 Ų139125.7 Ų125.773%0.72873%0.732SS**  trans-8084.7160-74.1172.5000109.5A522 Y526A522-L524 PolarHBondContact O-N 3.43Å; L524-Y526 HydrophobicContact CB-CD2 4.35Å; L524-Y526 HydrophobicContact CB-CE2 3.92Å; L524-Y526 PolarHBondContact O-N 2.96Å
525S26.3Very low31.5Very low102 Ų102128.1 Ų128.171%0.71373%0.729SS**  trans-7796.7172.654.30000110.7R523 T527R523-S525 PolarHBondContact O-N 3.38Å; R523-S525 VanDerWaalsContact O-N 3.16Å; S525-T527 PolarHBondContact O-N 3.03Å
526Y30.9Very low31.7Very low200 Ų200124.6 Ų124.678%0.78470%0.703SS**  trans-81106.4167.4-71.8-86.8000109.6L524L524-Y526 HydrophobicContact CB-CD2 4.35Å; L524-Y526 HydrophobicContact CB-CE2 3.92Å; L524-Y526 PolarHBondContact O-N 2.96Å
527T30.4Very low32Very low128 Ų128124.2 Ų124.279%0.78570%0.698SS**  trans-74.7128.1168.246.70000110S525 S529S525-T527 PolarHBondContact O-N 3.03Å; T527-S529 PolarHBondContact O-N 3.4Å
528L29.3Very low32.8Very low142 Ų142121.2 Ų121.274%0.74367%0.672SS**  trans-64.298.4-179.4-73.8159.4000111.7
529S28.1Very low33.2Very low94 Ų94122.3 Ų122.366%0.65766%0.659SS**  trans-90.8105.4170.5-1750000109.5T527 N531T527-S529 PolarHBondContact O-N 3.4Å; S529-N531 PolarHBondContact O-N 2.88Å
530A36.3Very low34.1Very low62 Ų62117.8 Ų117.851%0.51264%0.638SS.*THydrogen-bonded Turntrans-64.92.8-169.300000116.2
531N30.1Very low34.8Very low118 Ų118117 Ų11763%0.63163%0.627SS**THydrogen-bonded Turntrans-109.615.4-172.5-72.7-6.8000114.4S529S529-N531 PolarHBondContact O-N 2.88Å
532S34.1Very low35.7Very low84 Ų84118.9 Ų118.959%0.58763%0.625SS**  trans-143.982.7175.5-150.90000113.7Q534S532-Q534 PolarHBondContact O-N 2.91Å
533I35.7Very low36.9Very low70 Ų70119.5 Ų119.536%0.35961%0.612SS.*  trans-7380.2165-54.4176.4000108.2K535 L880 T883I533-K535 PolarHBondContact O-N 3.38Å; I533-K535 VanDerWaalsContact O-N 3.1Å; I533-L880 HydrophobicContact CD1-CD2 4.19Å; I533-T883 HydrophobicContact CD1-CG2 4.46Å
534Q37.6Very low38Very low169 Ų169109.9 Ų109.979%0.7958%0.578SS**  trans-65.1108163.8-69.4-168.10.300107.7S532 P536S532-Q534 PolarHBondContact O-N 2.91Å; Q534-P536 VanDerWaalsContact O-CD 3.25Å; Q534-P536 WeakPolarHBondContact O-CD 3.2Å
535K38.9Very low38.7Very low169 Ų169108.4 Ų108.474%0.73557%0.569SS**  trans-54.8113-179.6-67.5171.6-178.2168.10109.3I533 V537I533-K535 PolarHBondContact O-N 3.38Å; I533-K535 VanDerWaalsContact O-N 3.1Å; K535-V537 PolarHBondContact O-N 3.22Å
536P35.9Very low39.9Very low39 Ų39107.3 Ų107.325%0.25356%0.555SS.*  trans-64.5126.4178.326.8-34000108.6Q534 L538 T872Q534-P536 VanDerWaalsContact O-CD 3.25Å; Q534-P536 WeakPolarHBondContact O-CD 3.2Å; P536-L538 PolarHBondContact O-N 2.92Å; P536-T872 HydrophobicContact CB-CG2 3.55Å; P536-T872 HydrophobicContact CG-CG2 3.41Å; P536-T872 VanDerWaalsContact CG-CG2 3.41Å
537V43.8Very low40.8Very low121 Ų121101.5 Ų101.573%0.73354%0.542SS*.  trans-70.2108.2-174.6-177.60000109.2K535 R868K535-V537 PolarHBondContact O-N 3.22Å; V537-R868 PolarHBondContact O-NH1 3.28Å
538L44.9Very low41.5Very low61 Ų61102.6 Ų102.632%0.31954%0.536SS..  trans-77114.7166.2-71.4169.8000108P536 T540 N869 T872 R873P536-L538 PolarHBondContact O-N 2.92Å; L538-T540 PolarHBondContact O-N 2.97Å; L538-N869 HydrophobicContact CD2-CB 3.87Å; L538-N869 WeakPolarHBondContact CD2-OD1 3.35Å; L538-T872 HydrophobicContact CD2-CG2 3.88Å; L538-T872 HydrophobicContact CG-CG2 4.38Å; L538-R873 HydrophobicContact CD1-CG 4.43Å
539M41.7Very low42.1Very low95 Ų95102.3 Ų102.347%0.46854%0.535SS..  trans-59129.7173.7-85.2-172.2169.700110.2E543 L544 L865M539-E543 HydrophobicContact CG-CB 4.42Å; M539-L544 HydrophobicContact CB-CD1 3.81Å; M539-L865 HydrophobicContact SD-CD2 4.38Å
540T49.2Very low42.4Very low69 Ų69101.7 Ų101.742%0.42353%0.531SS..  trans-70.8156.217672.60000110.5L538 K542 E543 L544L538-T540 PolarHBondContact O-N 2.97Å; T540-K542 PolarHBondContact O-N 3Å; T540-K542 WeakPolarHBondContact OG1-CB 3.34Å; T540-K542 PolarHBondContact OG1-N 2.91Å; T540-E543 WeakPolarHBondContact CA-OE2 3.41Å; T540-E543 WeakPolarHBondContact CB-OE2 3.4Å; T540-E543 WeakPolarHBondContact CG2-OE2 3.48Å; T540-E543 PolarHBondContact N-OE2 2.7Å; T540-E543 PolarHBondContact O-N 3.26Å; T540-E543 VanDerWaalsContact O-N 3.09Å; T540-E543 VanDerWaalsContact OG1-CD 3.32Å; T540-E543 PolarHBondContact OG1-N 2.98Å; T540-E543 PolarHBondContact OG1-OE2 3.13Å; T540-L544 WeakPolarHBondContact O-CD1 3.39Å; T540-L544 PolarHBondContact O-N 3.44Å
541R43.7Very low42.3Very low156 Ų156106.1 Ų106.159%0.58955%0.546SS*.THydrogen-bonded Turntrans-6514.8168.1-160.4173.8172.6172.73.2113.8M545R541-M545 WeakPolarHBondContact O-CG 3.34Å
542K46.6Very low42.8Very low142 Ų142107.9 Ų107.962%0.61756%0.555SS**THydrogen-bonded Turntrans-105.8-44.3168.7-167.6-165172.5-153.90110.4T540 L544 M545T540-K542 PolarHBondContact O-N 3Å; T540-K542 WeakPolarHBondContact OG1-CB 3.34Å; T540-K542 PolarHBondContact OG1-N 2.91Å; K542-L544 VanDerWaalsContact C-N 3.29Å; K542-L544 PolarHBondContact O-N 2.9Å; K542-M545 PolarHBondContact O-N 3.04Å; K542-M545 VanDerWaalsContact O-N 3.1Å
543E54.8Low43Very low108 Ų108110.2 Ų110.251%0.50556%0.557SS.*G310 helixtrans-61-38.8170.8-72.5112.6-173.700111.1M539 T540 M545 N546M539-E543 HydrophobicContact CG-CB 4.42Å; T540-E543 WeakPolarHBondContact CA-OE2 3.41Å; T540-E543 WeakPolarHBondContact CB-OE2 3.4Å; T540-E543 WeakPolarHBondContact CG2-OE2 3.48Å; T540-E543 PolarHBondContact N-OE2 2.7Å; T540-E543 PolarHBondContact O-N 3.26Å; T540-E543 VanDerWaalsContact O-N 3.09Å; T540-E543 VanDerWaalsContact OG1-CD 3.32Å; T540-E543 PolarHBondContact OG1-N 2.98Å; T540-E543 PolarHBondContact OG1-OE2 3.13Å; E543-M545 PolarHBondContact O-N 3.2Å; E543-N546 PolarHBondContact O-N 2.85Å
544L50.8Low42.8Very low40 Ų40113 Ų11321%0.20958%0.583CS.*G310 helixtrans-56.2-10.4171.5-96.676000115.8M539 T540 K542 L862 L865M539-L544 HydrophobicContact CB-CD1 3.81Å; T540-L544 WeakPolarHBondContact O-CD1 3.39Å; T540-L544 PolarHBondContact O-N 3.44Å; K542-L544 VanDerWaalsContact C-N 3.29Å; K542-L544 PolarHBondContact O-N 2.9Å; L544-L862 HydrophobicContact CD2-CD2 3.8Å; L544-L862 HydrophobicContact CG-CD2 4.38Å; L544-L865 HydrophobicContact CD1-CD2 3.57Å; L544-L865 HydrophobicContact CD1-CG 4.27Å; L544-L865 HydrophobicContact CD2-CD2 4.31Å; L544-L865 HydrophobicContact CG-CD2 3.75Å
545M43Very low42.4Very low107 Ų107111.7 Ų111.753%0.52758%0.577SS.*G310 helixtrans-115.1-0.7-173.1-59.2-100.16400113.5M1 R541 K542 E543 P547M1-M545 HydrophobicContact CE-CB 4.34Å; M1-M545 HydrophobicContact CE-CG 4.38Å; R541-M545 WeakPolarHBondContact O-CG 3.34Å; K542-M545 PolarHBondContact O-N 3.04Å; K542-M545 VanDerWaalsContact O-N 3.1Å; E543-M545 PolarHBondContact O-N 3.2Å; M545-P547 WeakPolarHBondContact O-CD 3.4Å
546N52.3Low41.9Very low80 Ų80111 Ų11143%0.42859%0.587SS.*  trans-117.185.7178.1-82.423.4000109.9E543 F548 D549E543-N546 PolarHBondContact O-N 2.85Å; N546-F548 PolarHBondContact O-N 3.33Å; N546-D549 HydrophobicContact CB-CB 4.46Å; N546-D549 PolarHBondContact ND2-OD2 3.15Å
547P49.4Very low41.5Very low78 Ų78114.2 Ų114.251%0.50662%0.617SS.*THydrogen-bonded Turntrans-72.86.4-172.228.3-34.9000115.8M545 W840M545-P547 WeakPolarHBondContact O-CD 3.4Å; P547-W840 HydrophobicContact CB-CH2 4.48Å
548F46.2Very low40.7Very low150 Ų150112.9 Ų112.966%0.65862%0.619SS**THydrogen-bonded Turntrans-143.818.2-174.9-71.1-73.1000115N546 S550 M844N546-F548 PolarHBondContact O-N 3.33Å; F548-S550 VanDerWaalsContact C-N 3.25Å; F548-S550 PolarHBondContact O-N 3.29Å; F548-M844 HydrophobicContact CE2-SD 3.85Å; F548-M844 HydrophobicContact CZ-SD 3.83Å
549D41.4Very low39.9Very low137 Ų137116.4 Ų116.473%0.73364%0.643SS**  trans-79.277.3165.9-104.9-39.6000108.5N546N546-D549 HydrophobicContact CB-CB 4.46Å; N546-D549 PolarHBondContact ND2-OD2 3.15Å
550S34Very low39.4Very low81 Ų81120.1 Ų120.157%0.56666%0.661SS**  trans-132.9157.7-171.9-147.70000112.3F548F548-S550 VanDerWaalsContact C-N 3.25Å; F548-S550 PolarHBondContact O-N 3.29Å
551D35.1Very low38.4Very low154 Ų154125.4 Ų125.482%0.82469%0.685SS**  trans63.367.2168.3-56.3-14.7000117.7
552D38.9Very low37.6Very low156 Ų156122.3 Ų122.383%0.83469%0.693SS**  trans-146.6136.7144-135.5-13.2000114.7
553E39.4Very low36.9Very low132 Ų132121.6 Ų121.662%0.61771%0.706SS**  trans49.276.7163.2-70-84.561.900121.1Q555E553-Q555 VanDerWaalsContact C-N 3.34Å; E553-Q555 VanDerWaalsContact CD-NE2 3.25Å; E553-Q555 PolarHBondContact O-N 3.22Å; E553-Q555 PolarHBondContact OE1-NE2 3.29Å; E553-Q555 PolarHBondContact OE2-NE2 3.19Å
554S30.5Very low35.9Very low130 Ų130123.3 Ų123.391%0.90972%0.724SS**  trans-72.777.2158.6600000112.5
555Q29.6Very low34.9Very low141 Ų141130.3 Ų130.366%0.65976%0.755SS**  trans-136.130.4-170-112.5-161.399.300118.1E553E553-Q555 VanDerWaalsContact C-N 3.34Å; E553-Q555 VanDerWaalsContact CD-NE2 3.25Å; E553-Q555 PolarHBondContact O-N 3.22Å; E553-Q555 PolarHBondContact OE1-NE2 3.29Å; E553-Q555 PolarHBondContact OE2-NE2 3.19Å
556T29.7Very low34.4Very low153 Ų153129.6 Ų129.694%0.93977%0.767SS**SBendtrans-136.456.6176.743.50000115.8
557A27.5Very low33.8Very low107 Ų107134 Ų13488%0.88479%0.79SS**SBendtrans-142.50.4174.600000116.6
558A26.2Very low33Very low94 Ų94136.5 Ų136.578%0.77780%0.799SS**  trans-142.266.4-16700000114.5
559T28.4Very low32.5Very low135 Ų135136.2 Ų136.283%0.82881%0.809SS**  trans-167.1136.3163.33.40000108.6
560M30Very low32.2Very low172 Ų172134.4 Ų134.485%0.84781%0.805SS**  cis-133.3121.86.7-65.9174.6170.900111.7
561I28.1Very low31.9Very low180 Ų180136.4 Ų136.492%0.92381%0.814SS**SBendtrans-140.985.3152.4-55.9-179.4000107.8
562A26.9Very low31.8Very low91 Ų91136.2 Ų136.275%0.75281%0.81SS**  trans172.8117.1158.400000110.6
563S32.2Very low31.3Very low128 Ų128134.5 Ų134.590%0.89581%0.805SS**  trans-168.283.9157.3-81.50000108
564T33.4Very low31Very low144 Ų144132.7 Ų132.788%0.88381%0.808SS**  trans-77.6163.4177.145.60000112.1
565E31.5Very low30.9Very low186 Ų186131.4 Ų131.487%0.86980%0.798SS**  trans-66.8149.2-173.1-53.8163.312100113.5
566A32.4Very low31Very low93 Ų93130.5 Ų130.577%0.76980%0.802SS**  152.5132.9101.700000112.3
567D38.5Very low31Very low172 Ų172129.1 Ų129.192%0.9279%0.794SS**  trans-148.7153.2147.6-143.1-20.9000110.5
568N33.7Very low31.4Very low131 Ų131128.4 Ų128.470%0.70179%0.788SS**  trans-138.1124.6-147.8-151.6-30.3000114.1
569V35.7Very low31.6Very low143 Ų143131.6 Ų131.687%0.86779%0.787SS**  trans-141.3116.9167.8-171.90000110.6
570P34Very low32.1Very low99 Ų99133.2 Ų133.264%0.64378%0.784SS**  trans-106.4-172-174.239.9-35.8000114.5
571T29.2Very low32.4Very low124 Ų124128.8 Ų128.876%0.76178%0.775SS**  trans94.2127.9161.1-46.70000115.5
572M32.1Very low32.8Very low150 Ų150126.9 Ų126.974%0.73977%0.767SS**  cis-163.5155.9-5.4-99.5-77176.400111.1
573T29.4Very low33.3Very low119 Ų119129.2 Ų129.273%0.7377%0.765SS**  trans36.5149.4146.557.70000123.8
574S31.9Very low33.5Very low95 Ų95129.5 Ų129.566%0.66476%0.757SS**  cis-178.2146.1-1051.50000113.7
575S29.7Very low33.7Very low102 Ų102127.7 Ų127.771%0.71375%0.75SS**  trans55.9140.1139.367.90000124.7
576V31Very low34.1Very low123 Ų123124.8 Ų124.875%0.74575%0.747SS**  145.3119128.3166.60000115.6
577T29.7Very low34.3Very low124 Ų124125.4 Ų125.476%0.76175%0.752SS**  trans39.4129.715758.30000122
578A34.7Very low33.9Very low91 Ų91122.2 Ų122.275%0.75275%0.75SS**  72.5151.171.700000114
579E31.9Very low33.7Very low162 Ų162120.3 Ų120.376%0.75775%0.752SS**  cis-151.5172.124.8-53.6173.6135.400113.4
580H37.1Very low33.7Very low169 Ų169120.4 Ų120.478%0.78275%0.753SS**  trans52152.4152-67.3-60.1000121.7
581A38Very low33.7Very low79 Ų79122.9 Ų122.965%0.65377%0.766SS**  cis-173.6-171.6-21.600000107
582D35.3Very low34.1Very low140 Ų140120.2 Ų120.275%0.74976%0.763SS**  cis-167.5-177.50.1-142-40.5000111.6
583I38.3Very low34.6Very low139 Ų139122.4 Ų122.471%0.71377%0.769SS**  trans77.7104.6149.3-69.3161.9000121.9
584D36.2Very low35.7Very low135 Ų135121.1 Ų121.172%0.72277%0.765SS**  trans73.8106.3131-82.9-36.4000127.7
585S36.7Very low36.6Very low105 Ų105126.4 Ų126.473%0.73477%0.77SS**  82.1158105.7-78.90000122.7
586P40.9Very low37.6Very low125 Ų125127.5 Ų127.581%0.81276%0.764SS**  -132.8170.5-128.345-32.2000117.8
587A35.4Very low39.2Very low106 Ų106125.9 Ų125.988%0.87675%0.748SS**  trans-154.9137.5155.900000111.4
588A30.5Very low40.8Very low105 Ų105123.6 Ų123.687%0.86873%0.729SS**  trans-130.1114.1-179.800000112.4
589A30.8Very low42.3Very low92 Ų92124.3 Ų124.376%0.7672%0.72SS**  trans-171.7169.7162.500000111
590V35Very low44.1Very low145 Ų145122 Ų12288%0.87970%0.704SS**  trans68.152.3163.4-153.90000117.4
591V33.7Very low45.8Very low150 Ų150121 Ų12191%0.90969%0.693SS**  trans-130.3114.8155-174.90000109.6
592G37.3Very low47.1Very low69 Ų69124.8 Ų124.871%0.71169%0.691SS**SBendtrans176.8-32.4177.700000116.4
593K42.6Very low48.7Very low195 Ų195122.4 Ų122.485%0.84868%0.681SS**SBendtrans-90.3-7.9-175.8-65-173.8178-178.80115.5
594S51.9Low50.1Low93 Ų93122.3 Ų122.365%0.6567%0.672SS**Hα-helixtrans-72.8-48.4-171.2-174.30000114.1Q596 E597 E598S594-Q596 VanDerWaalsContact C-N 3.31Å; S594-Q596 PolarHBondContact O-N 2.87Å; S594-E597 PolarHBondContact O-N 3.08Å; S594-E597 VanDerWaalsContact O-N 3.15Å; S594-E598 WeakPolarHBondContact O-CB 3.34Å; S594-E598 PolarHBondContact O-N 3.27Å
595R51.8Low51.6Low206 Ų206119.2 Ų119.278%0.77765%0.653SS**Hα-helixtrans-60.9-33.5-170.7-171.7174.3176.5179.6-3.4113.9L599R595-L599 VanDerWaalsContact O-CD1 3.3Å; R595-L599 WeakPolarHBondContact O-CD1 3.38Å; R595-L599 PolarHBondContact O-N 3.06Å
596Q50.6Low52.4Low125 Ų125120.1 Ų120.158%0.58465%0.647SS**Hα-helixtrans-75.8-37.8178.9-161.2-173.45600112.2S594 L599 R600S594-Q596 VanDerWaalsContact C-N 3.31Å; S594-Q596 PolarHBondContact O-N 2.87Å; Q596-L599 PolarHBondContact O-N 2.87Å; Q596-R600 VanDerWaalsContact CD-NH2 3.26Å; Q596-R600 PolarHBondContact O-N 2.62Å
597E64.4Low53.2Low88 Ų88119.4 Ų119.441%0.41164%0.64SS.*Hα-helixtrans-76.3-31.3179-159.156.7-149.900112S594 L599 R600 R601 R604S594-E597 PolarHBondContact O-N 3.08Å; S594-E597 VanDerWaalsContact O-N 3.15Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 3.48Å; E597-R600 CarbonylContact O-C 3.56Å; E597-R600 PolarHBondContact O-N 2.82Å; E597-R600 WeakPolarHBondContact OE2-CD 3.46Å; E597-R600 IonicContact OE2-NH1 3.9Å; E597-R600 PolarHBondContact OE2-NH1 2.66Å; E597-R601 WeakPolarHBondContact O-CB 3.16Å; E597-R601 PolarHBondContact O-N 3.15Å; E597-R604 IonicContact OE1-CZ 2.7Å; E597-R604 IonicContact OE1-NH2 3.7Å; E597-R604 PolarHBondContact OE1-NH2 2.85Å
598E63.6Low54.1Low77 Ų77122 Ų12236%0.3663%0.634SS.*Hα-helixtrans-60-40.9168.2177.254.6-152.700112S594 R601 R602S594-E598 WeakPolarHBondContact O-CB 3.34Å; S594-E598 PolarHBondContact O-N 3.27Å; E598-R601 PolarHBondContact O-N 3.49Å; E598-R602 PolarHBondContact O-N 3.32Å; E598-R602 IonicContact OE1-CZ 2.61Å; E598-R602 IonicContact OE1-NH1 3.52Å; E598-R602 PolarHBondContact OE1-NH1 3.31Å
599L66.1Low55.2Low106 Ų106124.2 Ų124.256%0.55562%0.624SS**Hα-helixtrans-63.7-46170.5-99.781.5000111.9R595 Q596 E597 R601 R602 V603R595-L599 VanDerWaalsContact O-CD1 3.3Å; R595-L599 WeakPolarHBondContact O-CD1 3.38Å; R595-L599 PolarHBondContact O-N 3.06Å; Q596-L599 PolarHBondContact O-N 2.87Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 3.48Å; L599-R601 PolarHBondContact O-N 2.95Å; L599-R602 PolarHBondContact O-N 3.17Å; L599-V603 WeakPolarHBondContact O-CG2 3.18Å; L599-V603 PolarHBondContact O-N 2.66Å
600R69.8Low55.5Low112 Ų112127.9 Ų127.942%0.42362%0.623SS.*Hα-helixtrans-63.7-28.3177-70-169-174.9101.15.2113.1Q596 E597 R604Q596-R600 VanDerWaalsContact CD-NH2 3.26Å; Q596-R600 PolarHBondContact O-N 2.62Å; E597-R600 CarbonylContact O-C 3.56Å; E597-R600 PolarHBondContact O-N 2.82Å; E597-R600 WeakPolarHBondContact OE2-CD 3.46Å; E597-R600 IonicContact OE2-NH1 3.9Å; E597-R600 PolarHBondContact OE2-NH1 2.66Å; R600-R604 PolarHBondContact O-N 3.2Å; R600-R604 PolarHBondContact O-NE 3.47Å; R600-R604 VanDerWaalsContact O-NE 3.15Å
601R72.1Confident55.8Low150 Ų150126.5 Ų126.557%0.56662%0.617SS**Hα-helixtrans-70.3-52.3172.7-172-179.9-172.8127.59.4110.7E597 E598 L599 V603 R604 E605E597-R601 WeakPolarHBondContact O-CB 3.16Å; E597-R601 PolarHBondContact O-N 3.15Å; E598-R601 PolarHBondContact O-N 3.49Å; L599-R601 PolarHBondContact O-N 2.95Å; R601-V603 VanDerWaalsContact C-N 3.29Å; R601-V603 PolarHBondContact O-N 2.6Å; R601-R604 PolarHBondContact O-N 2.88Å; R601-R604 VanDerWaalsContact O-N 3.1Å; R601-E605 WeakPolarHBondContact CG-OE1 3.42Å; R601-E605 IonicContact NE-OE1 3.7Å; R601-E605 PolarHBondContact NE-OE1 2.84Å; R601-E605 PolarHBondContact O-N 2.94Å
602R66.8Low55.8Low158 Ų158122.4 Ų122.460%0.59660%0.599SS**Hα-helixtrans-57.5-37.7175.7-86.2177.2141.294.6-1.9113.2E598 L599 M606E598-R602 PolarHBondContact O-N 3.32Å; E598-R602 IonicContact OE1-CZ 2.61Å; E598-R602 IonicContact OE1-NH1 3.52Å; E598-R602 PolarHBondContact OE1-NH1 3.31Å; L599-R602 PolarHBondContact O-N 3.17Å; R602-M606 VanDerWaalsContact O-CB 3.28Å; R602-M606 WeakPolarHBondContact O-CB 3.47Å; R602-M606 PolarHBondContact O-N 3Å
603V67.2Low56Low90 Ų90124.3 Ų124.355%0.54559%0.593SS.*Hα-helixtrans-66.3-42.8174.9171.40000111.5L599 R601 M606 V607L599-V603 WeakPolarHBondContact O-CG2 3.18Å; L599-V603 PolarHBondContact O-N 2.66Å; R601-V603 VanDerWaalsContact C-N 3.29Å; R601-V603 PolarHBondContact O-N 2.6Å; V603-M606 PolarHBondContact O-N 2.78Å; V603-V607 WeakPolarHBondContact O-CG2 3.26Å; V603-V607 PolarHBondContact O-N 2.83Å; V603-V607 VanDerWaalsContact O-N 3.13Å
604R68.9Low56.1Low137 Ų137120.9 Ų120.952%0.51758%0.584SS.*Hα-helixtrans-62.8-48.1174.2-87.4174.9-75.2-151.43.1112.3E597 R600 R601 M606 V607 E608E597-R604 IonicContact OE1-CZ 2.7Å; E597-R604 IonicContact OE1-NH2 3.7Å; E597-R604 PolarHBondContact OE1-NH2 2.85Å; R600-R604 PolarHBondContact O-N 3.2Å; R600-R604 PolarHBondContact O-NE 3.47Å; R600-R604 VanDerWaalsContact O-NE 3.15Å; R601-R604 PolarHBondContact O-N 2.88Å; R601-R604 VanDerWaalsContact O-N 3.1Å; R604-M606 PolarHBondContact O-N 2.89Å; R604-V607 PolarHBondContact O-N 2.96Å; R604-E608 PolarHBondContact O-N 3.04Å
605E67.6Low55.8Low69 Ų69122.9 Ų122.932%0.32258%0.583SS.*Hα-helixtrans-63.9-20.9177.4-69.8-176.9-156.100113.4R601 K609R601-E605 WeakPolarHBondContact CG-OE1 3.42Å; R601-E605 IonicContact NE-OE1 3.7Å; R601-E605 PolarHBondContact NE-OE1 2.84Å; R601-E605 PolarHBondContact O-N 2.94Å; E605-K609 WeakPolarHBondContact O-CD 3.48Å; E605-K609 VanDerWaalsContact O-CG 3.22Å; E605-K609 WeakPolarHBondContact O-CG 3.37Å; E605-K609 IonicContact OE2-NZ 3.54Å
606M52.7Low55.5Low125 Ų125118.7 Ų118.762%0.61657%0.572SS**Hα-helixtrans-83-29.5174.4-163.6-177.8-52.100112.2R602 V603 R604R602-M606 VanDerWaalsContact O-CB 3.28Å; R602-M606 WeakPolarHBondContact O-CB 3.47Å; R602-M606 PolarHBondContact O-N 3Å; V603-M606 PolarHBondContact O-N 2.78Å; R604-M606 PolarHBondContact O-N 2.89Å
607V58Low55.3Low110 Ų110118.9 Ų118.967%0.66757%0.573SS**Hα-helixtrans-76.6-40.7172.8172.30000111.2V603 R604 K609V603-V607 WeakPolarHBondContact O-CG2 3.26Å; V603-V607 PolarHBondContact O-N 2.83Å; V603-V607 VanDerWaalsContact O-N 3.13Å; R604-V607 PolarHBondContact O-N 2.96Å; V607-K609 PolarHBondContact O-N 2.82Å
608E55.2Low55.2Low160 Ų160117.6 Ų117.675%0.74858%0.578SS**THydrogen-bonded Turntrans-67.6-12.6177.2-73.9-179.4125.700114.4R604R604-E608 PolarHBondContact O-N 3.04Å
609K53.2Low55.2Low152 Ų152119.4 Ų119.466%0.66158%0.584SS**THydrogen-bonded Turntrans-1000.9-176.6-76174.3-170.91540114.9E605 V607E605-K609 WeakPolarHBondContact O-CD 3.48Å; E605-K609 VanDerWaalsContact O-CG 3.22Å; E605-K609 WeakPolarHBondContact O-CG 3.37Å; E605-K609 IonicContact OE2-NZ 3.54Å; V607-K609 PolarHBondContact O-N 2.82Å
610F37.5Very low54.8Low169 Ų169120 Ų12074%0.74159%0.587SS**SBendtrans-95.1125.9169.1-90.7-89.1000110.6A612F610-A612 PolarHBondContact O-N 2.89Å
611P39.5Very low54.5Low116 Ų116117.4 Ų117.475%0.75359%0.586SS**PPolyproline II helixtrans-67.2132.6176.128.4-33.6000110.2
612A34.4Very low54.5Low63 Ų63112.9 Ų112.952%0.52158%0.581SS.*PPolyproline II helixtrans-74.1127.6-178.600000111.6F610 D614F610-A612 PolarHBondContact O-N 2.89Å; A612-D614 PolarHBondContact O-N 2.87Å
613N42.8Very low54.6Low109 Ų109111.7 Ų111.758%0.58358%0.582SS**  trans-81.689.5161.2-81.2-15.8000108.3E615 Q616 Q617N613-E615 PolarHBondContact O-N 2.92Å; N613-Q616 HydrophobicContact CB-CB 4.35Å; N613-Q616 HydrophobicContact CB-CG 4.19Å; N613-Q616 PolarHBondContact ND2-OE1 2.85Å; N613-Q616 PolarHBondContact O-N 3.21Å; N613-Q617 PolarHBondContact O-N 2.84Å
614D43.9Very low54.9Low123 Ų123110.9 Ų110.966%0.65858%0.58SS**Hα-helixtrans-49-36.2-179.3-64.7-38000112.5A612 Q616 Q617 A618A612-D614 PolarHBondContact O-N 2.87Å; D614-Q616 VanDerWaalsContact C-N 3.31Å; D614-Q616 PolarHBondContact O-N 2.87Å; D614-Q617 PolarHBondContact O-N 2.89Å; D614-A618 WeakPolarHBondContact O-CB 3.3Å; D614-A618 PolarHBondContact O-N 2.95Å
615E46Very low55.3Low135 Ų135110 Ų11063%0.63158%0.582SS**Hα-helixtrans-66.2-27.4-179.7-150.5-157.9147.100114N613 K619N613-E615 PolarHBondContact O-N 2.92Å; E615-K619 WeakPolarHBondContact O-CD 3.42Å; E615-K619 WeakPolarHBondContact O-CG 3.39Å; E615-K619 PolarHBondContact O-N 2.8Å; E615-K619 WeakPolarHBondContact OE1-CE 3.48Å; E615-K619 IonicContact OE1-NZ 3.85Å; E615-K619 PolarHBondContact OE1-NZ 3.35Å
616Q45.5Very low55.8Low118 Ų118115.1 Ų115.155%0.55160%0.598SS**Hα-helixtrans-82-37.2173.8-67.3-176.4-93.400111N613 D614 K619 L620N613-Q616 HydrophobicContact CB-CB 4.35Å; N613-Q616 HydrophobicContact CB-CG 4.19Å; N613-Q616 PolarHBondContact ND2-OE1 2.85Å; N613-Q616 PolarHBondContact O-N 3.21Å; D614-Q616 VanDerWaalsContact C-N 3.31Å; D614-Q616 PolarHBondContact O-N 2.87Å; Q616-K619 PolarHBondContact O-N 3.2Å; Q616-L620 WeakPolarHBondContact O-CG 3.24Å; Q616-L620 PolarHBondContact O-N 2.97Å
617Q46.6Very low56.6Low129 Ų129116.3 Ų116.360%0.60360%0.6SS**Hα-helixtrans-70-36.1179-156.2164.15.600111.6N613 D614 L620 S621N613-Q617 PolarHBondContact O-N 2.84Å; D614-Q617 PolarHBondContact O-N 2.89Å; Q617-L620 PolarHBondContact O-N 3.42Å; Q617-S621 PolarHBondContact O-N 3.39Å
618A62.3Low57.4Low62 Ų62117.5 Ų117.551%0.51260%0.599SS.*Hα-helixtrans-62.4-42.717100000112.7D614 S621 A622D614-A618 WeakPolarHBondContact O-CB 3.3Å; D614-A618 PolarHBondContact O-N 2.95Å; A618-S621 PolarHBondContact O-N 3.04Å; A618-A622 PolarHBondContact O-N 2.93Å
619K63.7Low58.6Low115 Ų115116 Ų11650%0.559%0.592SS.*Hα-helixtrans-64.4-43.9176.7-74.2167.6-170.1163.10111.7E615 Q616 S621 A622 E623E615-K619 WeakPolarHBondContact O-CD 3.42Å; E615-K619 WeakPolarHBondContact O-CG 3.39Å; E615-K619 PolarHBondContact O-N 2.8Å; E615-K619 WeakPolarHBondContact OE1-CE 3.48Å; E615-K619 IonicContact OE1-NZ 3.85Å; E615-K619 PolarHBondContact OE1-NZ 3.35Å; Q616-K619 PolarHBondContact O-N 3.2Å; K619-S621 VanDerWaalsContact C-N 3.34Å; K619-S621 PolarHBondContact O-N 3.07Å; K619-A622 PolarHBondContact O-N 3.31Å; K619-E623 WeakPolarHBondContact O-CG 3.22Å; K619-E623 PolarHBondContact O-N 2.71Å
620L56.3Low59.5Low117 Ų117113.3 Ų113.361%0.61358%0.584SS**Hα-helixtrans-64.1-34.9174.9-70.5168.3000112.8Q616 Q617 S624Q616-L620 WeakPolarHBondContact O-CG 3.24Å; Q616-L620 PolarHBondContact O-N 2.97Å; Q617-L620 PolarHBondContact O-N 3.42Å; L620-S624 VanDerWaalsContact O-CB 3.3Å; L620-S624 WeakPolarHBondContact O-CB 3.45Å; L620-S624 PolarHBondContact O-N 3.05Å
621S63.7Low61.1Low58 Ų58107.1 Ų107.141%0.40656%0.56SS.*Hα-helixtrans-64.8-48.3172.5-159.30000111.4Q617 A618 K619 E623 S624 E625Q617-S621 PolarHBondContact O-N 3.39Å; A618-S621 PolarHBondContact O-N 3.04Å; K619-S621 VanDerWaalsContact C-N 3.34Å; K619-S621 PolarHBondContact O-N 3.07Å; S621-E623 VanDerWaalsContact C-N 3.35Å; S621-E623 PolarHBondContact O-N 3.39Å; S621-S624 WeakPolarHBondContact O-CB 3.3Å; S621-S624 PolarHBondContact O-N 2.94Å; S621-S624 VanDerWaalsContact O-N 3.16Å; S621-E625 WeakPolarHBondContact O-CG 3.24Å; S621-E625 PolarHBondContact O-N 3.27Å; S621-E625 PolarHBondContact OG-OE1 2.97Å
622A72.1Confident62.9Low55 Ų55104.6 Ų104.646%0.45555%0.546SS..Hα-helixtrans-63.6-37.2179.700000112.9A618 K619 R626A618-A622 PolarHBondContact O-N 2.93Å; K619-A622 PolarHBondContact O-N 3.31Å; A622-R626 VanDerWaalsContact O-CB 3.26Å; A622-R626 WeakPolarHBondContact O-CB 3.49Å; A622-R626 PolarHBondContact O-N 2.79Å
623E70Confident65Low134 Ų134107.5 Ų107.563%0.62654%0.543SS*.Hα-helixtrans-68.2-39.1173.1-72.5-173.6145.300112.2K619 S621 R626 F627K619-E623 WeakPolarHBondContact O-CG 3.22Å; K619-E623 PolarHBondContact O-N 2.71Å; S621-E623 VanDerWaalsContact C-N 3.35Å; S621-E623 PolarHBondContact O-N 3.39Å; E623-R626 PolarHBondContact O-N 2.71Å; E623-F627 WeakPolarHBondContact O-CB 3.33Å; E623-F627 PolarHBondContact O-N 3.36Å
624S72Confident66.1Low72 Ų72104.5 Ų104.550%0.50353%0.533SS..Hα-helixtrans-63.1-47.9174.5-174.30000112L620 S621 F627 Q628L620-S624 VanDerWaalsContact O-CB 3.3Å; L620-S624 WeakPolarHBondContact O-CB 3.45Å; L620-S624 PolarHBondContact O-N 3.05Å; S621-S624 WeakPolarHBondContact O-CB 3.3Å; S621-S624 PolarHBondContact O-N 2.94Å; S621-S624 VanDerWaalsContact O-N 3.16Å; S624-F627 PolarHBondContact O-N 3.48Å; S624-Q628 WeakPolarHBondContact O-CB 3.49Å; S624-Q628 PolarHBondContact O-N 3.35Å
625E77.9Confident67.5Low119 Ų119106.9 Ų106.956%0.55653%0.533SS*.Hα-helixtrans-59.5-47.4175.8-74.4165.2-143.300111.2S621 F627 Q628 E629S621-E625 WeakPolarHBondContact O-CG 3.24Å; S621-E625 PolarHBondContact O-N 3.27Å; S621-E625 PolarHBondContact OG-OE1 2.97Å; E625-F627 VanDerWaalsContact C-N 3.35Å; E625-F627 PolarHBondContact O-N 2.88Å; E625-Q628 PolarHBondContact O-N 3.16Å; E625-Q628 VanDerWaalsContact O-N 3.14Å; E625-E629 PolarHBondContact O-N 2.98Å
626R77.8Confident69Low176 Ų176106.3 Ų106.366%0.66453%0.53SS*.Hα-helixtrans-61.5-40.2176.4-172179.7-176.4-134.61112.4A622 E623 Q628 E629 L630A622-R626 VanDerWaalsContact O-CB 3.26Å; A622-R626 WeakPolarHBondContact O-CB 3.49Å; A622-R626 PolarHBondContact O-N 2.79Å; E623-R626 PolarHBondContact O-N 2.71Å; R626-Q628 VanDerWaalsContact C-N 3.34Å; R626-E629 PolarHBondContact O-N 3.4Å; R626-L630 HydrophobicContact CG-CD1 4.23Å; R626-L630 WeakPolarHBondContact O-CB 3.39Å; R626-L630 VanDerWaalsContact O-CG 3.27Å; R626-L630 WeakPolarHBondContact O-CG 3.43Å; R626-L630 PolarHBondContact O-N 3.34Å
627F70.3Confident70.1Confident150 Ų150103.8 Ų103.866%0.65852%0.52SS*.Hα-helixtrans-65.6-38.6174.8-175.4-95.8000111.7E623 S624 E625 T631E623-F627 WeakPolarHBondContact O-CB 3.33Å; E623-F627 PolarHBondContact O-N 3.36Å; S624-F627 PolarHBondContact O-N 3.48Å; E625-F627 VanDerWaalsContact C-N 3.35Å; E625-F627 PolarHBondContact O-N 2.88Å; F627-T631 WeakPolarHBondContact O-CB 3.46Å; F627-T631 PolarHBondContact O-N 3.03Å; F627-T631 PolarHBondContact O-OG1 2.89Å
628Q74.9Confident71.1Confident135 Ų135103.5 Ų103.563%0.63152%0.521SS*.Hα-helixtrans-69.3-37.8177.7-151.717674.100111.9S624 E625 R626 S632S624-Q628 WeakPolarHBondContact O-CB 3.49Å; S624-Q628 PolarHBondContact O-N 3.35Å; E625-Q628 PolarHBondContact O-N 3.16Å; E625-Q628 VanDerWaalsContact O-N 3.14Å; R626-Q628 VanDerWaalsContact C-N 3.34Å; Q628-S632 WeakPolarHBondContact O-CB 3.4Å; Q628-S632 PolarHBondContact O-N 3.23Å; Q628-S632 PolarHBondContact O-OG 3.49Å
629E81.2Confident71.6Confident129 Ų129109.3 Ų109.360%0.60354%0.535SS*.Hα-helixtrans-66.6-49.4173.2-170.3-175.5171.500111.7E625 R626 T631 S632 R633E625-E629 PolarHBondContact O-N 2.98Å; R626-E629 PolarHBondContact O-N 3.4Å; E629-T631 VanDerWaalsContact C-N 3.28Å; E629-T631 PolarHBondContact O-N 3.34Å; E629-S632 CarbonylContact O-C 3.59Å; E629-S632 WeakPolarHBondContact O-CA 3.32Å; E629-S632 WeakPolarHBondContact O-CB 3.31Å; E629-S632 PolarHBondContact O-N 3.04Å; E629-R633 WeakPolarHBondContact O-CB 3.22Å; E629-R633 PolarHBondContact O-N 3.02Å
630L70.8Confident72Confident96 Ų96111.1 Ų111.150%0.50355%0.545SS..Hα-helixtrans-57-43.8175.9-74169.2000111.4R626 S632 R633 A634R626-L630 HydrophobicContact CG-CD1 4.23Å; R626-L630 WeakPolarHBondContact O-CB 3.39Å; R626-L630 VanDerWaalsContact O-CG 3.27Å; R626-L630 WeakPolarHBondContact O-CG 3.43Å; R626-L630 PolarHBondContact O-N 3.34Å; L630-S632 VanDerWaalsContact C-N 3.31Å; L630-S632 PolarHBondContact O-N 3.44Å; L630-R633 PolarHBondContact O-N 3.32Å; L630-A634 WeakPolarHBondContact O-CB 3.39Å; L630-A634 PolarHBondContact O-N 3.02Å
631T71.1Confident72.1Confident38 Ų38109.8 Ų109.823%0.23354%0.538CS..Hα-helixtrans-62.6-36.1174.7-64.20000112.2F627 E629 R635F627-T631 WeakPolarHBondContact O-CB 3.46Å; F627-T631 PolarHBondContact O-N 3.03Å; F627-T631 PolarHBondContact O-OG1 2.89Å; E629-T631 VanDerWaalsContact C-N 3.28Å; E629-T631 PolarHBondContact O-N 3.34Å; T631-R635 VanDerWaalsContact CG2-NH2 3.26Å; T631-R635 WeakPolarHBondContact O-CG 3.44Å; T631-R635 PolarHBondContact O-N 3.34Å; T631-R635 VanDerWaalsContact O-N 3.13Å
632S77.9Confident71.5Confident64 Ų64109.2 Ų109.245%0.44854%0.542SS..Hα-helixtrans-71.8-44.5177.2-60.80000111.7Q628 E629 L630 A634 R635 Q636Q628-S632 WeakPolarHBondContact O-CB 3.4Å; Q628-S632 PolarHBondContact O-N 3.23Å; Q628-S632 PolarHBondContact O-OG 3.49Å; E629-S632 CarbonylContact O-C 3.59Å; E629-S632 WeakPolarHBondContact O-CA 3.32Å; E629-S632 WeakPolarHBondContact O-CB 3.31Å; E629-S632 PolarHBondContact O-N 3.04Å; L630-S632 VanDerWaalsContact C-N 3.31Å; L630-S632 PolarHBondContact O-N 3.44Å; S632-A634 VanDerWaalsContact C-N 3.34Å; S632-A634 PolarHBondContact O-N 3.35Å; S632-R635 PolarHBondContact O-N 2.99Å; S632-Q636 PolarHBondContact O-N 3.46Å
633R78.2Confident70.3Confident124 Ų124113.8 Ų113.847%0.46857%0.566SS.*Hα-helixtrans-61.8-40.8175.8-168.2165.8174.7173.9-8.6110.9E629 L630 Q636 I637 E660E629-R633 WeakPolarHBondContact O-CB 3.22Å; E629-R633 PolarHBondContact O-N 3.02Å; L630-R633 PolarHBondContact O-N 3.32Å; R633-Q636 PolarHBondContact O-N 2.86Å; R633-I637 HydrophobicContact CG-CD1 4.4Å; R633-I637 WeakPolarHBondContact O-CG1 3.37Å; R633-I637 PolarHBondContact O-N 3.05Å; R633-E660 IonicContact NH2-OE1 3.06Å
634A66.4Low68.9Low45 Ų45110.8 Ų110.837%0.37257%0.572SS.*Hα-helixtrans-60.6-49.1172.500000112.4L630 S632 Q636 I637 I638L630-A634 WeakPolarHBondContact O-CB 3.39Å; L630-A634 PolarHBondContact O-N 3.02Å; S632-A634 VanDerWaalsContact C-N 3.34Å; S632-A634 PolarHBondContact O-N 3.35Å; A634-Q636 VanDerWaalsContact C-N 3.27Å; A634-Q636 PolarHBondContact O-N 3.41Å; A634-I637 PolarHBondContact O-N 3.17Å; A634-I638 WeakPolarHBondContact O-CG1 3.35Å; A634-I638 PolarHBondContact O-N 3Å
635R72.6Confident67.3Low173 Ų173110.4 Ų110.465%0.65358%0.579SS**Hα-helixtrans-59.9-36.3174.9-70176.9-145.8-110.45.3112.4T631 S632 K639T631-R635 VanDerWaalsContact CG2-NH2 3.26Å; T631-R635 WeakPolarHBondContact O-CG 3.44Å; T631-R635 PolarHBondContact O-N 3.34Å; T631-R635 VanDerWaalsContact O-N 3.13Å; S632-R635 PolarHBondContact O-N 2.99Å; R635-K639 WeakPolarHBondContact O-CB 3.43Å; R635-K639 PolarHBondContact O-N 3.41Å
636Q76.8Confident65.4Low123 Ų123112.9 Ų112.958%0.57560%0.596SS**Hα-helixtrans-72.4-35178.9-169.1169.71.600112.8S632 R633 A634 K639 Q640S632-Q636 PolarHBondContact O-N 3.46Å; R633-Q636 PolarHBondContact O-N 2.86Å; A634-Q636 VanDerWaalsContact C-N 3.27Å; A634-Q636 PolarHBondContact O-N 3.41Å; Q636-K639 PolarHBondContact O-N 2.87Å; Q636-Q640 PolarHBondContact O-N 2.93Å; Q636-Q640 VanDerWaalsContact O-N 3.15Å
637I70.1Confident63.7Low66 Ų66111.3 Ų111.334%0.33860%0.597SS.*Hα-helixtrans-64.8-47.8170.9-69.6164.3000110.1R633 A634 K639 Q640 L641R633-I637 HydrophobicContact CG-CD1 4.4Å; R633-I637 WeakPolarHBondContact O-CG1 3.37Å; R633-I637 PolarHBondContact O-N 3.05Å; A634-I637 PolarHBondContact O-N 3.17Å; I637-K639 PolarHBondContact O-N 3.32Å; I637-Q640 PolarHBondContact O-N 3.36Å; I637-L641 HydrophobicContact CG2-CD1 3.86Å; I637-L641 PolarHBondContact O-N 3.3Å
638I66.2Low62.5Low122 Ų122108.3 Ų108.363%0.62659%0.592SS**Hα-helixtrans-58-37.7175.1-66.7164.2000111.2A634 Q640 L641A634-I638 WeakPolarHBondContact O-CG1 3.35Å; A634-I638 PolarHBondContact O-N 3Å; I638-Q640 VanDerWaalsContact C-N 3.34Å; I638-Q640 PolarHBondContact O-N 3.01Å; I638-L641 CarbonylContact O-C 3.56Å; I638-L641 PolarHBondContact O-N 2.85Å
639K74.4Confident61Low185 Ų185106.2 Ų106.280%0.80458%0.584SS**Hα-helixtrans-70.5-24.9177-170.1173.8179.7-178.90114R635 Q636 I637R635-K639 WeakPolarHBondContact O-CB 3.43Å; R635-K639 PolarHBondContact O-N 3.41Å; Q636-K639 PolarHBondContact O-N 2.87Å; I637-K639 PolarHBondContact O-N 3.32Å
640Q72.3Confident59.2Low152 Ų152103.5 Ų103.571%0.7158%0.576SS**Hα-helixtrans-83.7-30172.9-70.8-175.652.700112.3Q636 I637 I638 G642Q636-Q640 PolarHBondContact O-N 2.93Å; Q636-Q640 VanDerWaalsContact O-N 3.15Å; I637-Q640 PolarHBondContact O-N 3.36Å; I638-Q640 VanDerWaalsContact C-N 3.34Å; I638-Q640 PolarHBondContact O-N 3.01Å; Q640-G642 VanDerWaalsContact C-N 3.31Å; Q640-G642 PolarHBondContact O-N 3.44Å
641L56.9Low57.7Low89 Ų89104.6 Ų104.647%0.46658%0.582SS.*SBendtrans-82.374.8173.8-65172.5000110.5I637 I638 I649I637-L641 HydrophobicContact CG2-CD1 3.86Å; I637-L641 PolarHBondContact O-N 3.3Å; I638-L641 CarbonylContact O-C 3.56Å; I638-L641 PolarHBondContact O-N 2.85Å; L641-I649 HydrophobicContact CD1-CD1 4.04Å; L641-I649 HydrophobicContact CD1-CG1 4.36Å; L641-I649 HydrophobicContact CD1-CG2 4.13Å
642G51.1Low56.2Low47 Ų47111.1 Ų111.149%0.48560%0.602SS.*  trans-57.6158.4-179.100000114.4Q640 G644Q640-G642 VanDerWaalsContact C-N 3.31Å; Q640-G642 PolarHBondContact O-N 3.44Å; G642-G644 PolarHBondContact O-N 2.74Å
643P47.3Very low54.2Low150 Ų150112.3 Ų112.397%0.97460%0.603SS**THydrogen-bonded Turntrans-72.385.8-170.830.3-36.3000112.5
644G41Very low52.4Low72 Ų72109.2 Ų109.274%0.74260%0.6SS**THydrogen-bonded Turntrans-178.85.2176.600000116.9G642G642-G644 PolarHBondContact O-N 2.74Å
645G37.5Very low51.2Low64 Ų64112.8 Ų112.866%0.6661%0.609SS**  trans-94.9104.7-178.400000113.6E647G645-E647 VanDerWaalsContact C-N 3.28Å; G645-E647 PolarHBondContact O-N 2.63Å
646N37.9Very low49.7Very low170 Ų170108.3 Ų108.391%0.90960%0.601SS**  trans-82.261.2175.3-73.7-18.5000112.7
647E43Very low47.9Very low144 Ų144108.7 Ų108.767%0.67361%0.606SS**SBendtrans-136.9143166-77.3-164.5136.100111.3G645 I649G645-E647 VanDerWaalsContact C-N 3.28Å; G645-E647 PolarHBondContact O-N 2.63Å; E647-I649 PolarHBondContact O-N 2.88Å; E647-I649 VanDerWaalsContact O-N 3.11Å
648P44Very low46.5Very low87 Ų87113.3 Ų113.357%0.56563%0.626SS**  trans-70.6104.9173.728.2-32.8000111.2T71 V650T71-P648 HydrophobicContact CG2-CB 4.11Å; P648-V650 PolarHBondContact O-N 2.81Å
649I44.3Very low45.2Very low91 Ų91115.8 Ų115.847%0.46763%0.633SS.*THydrogen-bonded Turntrans-60-8.3-170.9-72.1155.3000115.4L641 E647 I651 R652L641-I649 HydrophobicContact CD1-CD1 4.04Å; L641-I649 HydrophobicContact CD1-CG1 4.36Å; L641-I649 HydrophobicContact CD1-CG2 4.13Å; E647-I649 PolarHBondContact O-N 2.88Å; E647-I649 VanDerWaalsContact O-N 3.11Å; I649-I651 VanDerWaalsContact C-N 3.26Å; I649-I651 PolarHBondContact O-N 3.11Å; I649-I651 VanDerWaalsContact O-N 3.13Å; I649-R652 PolarHBondContact O-N 3.45Å
650V44Very low43.4Very low71 Ų71113.9 Ų113.943%0.4363%0.627SS.*THydrogen-bonded Turntrans-57.2-30.9-173.4179.40000114.3I70 T71 P648 R652I70-V650 HydrophobicContact CG2-CG2 3.31Å; T71-V650 HydrophobicContact CG2-CB 4.3Å; T71-V650 HydrophobicContact CG2-CG2 3.63Å; P648-V650 PolarHBondContact O-N 2.81Å; V650-R652 VanDerWaalsContact C-N 3.33Å; V650-R652 PolarHBondContact O-N 3.22Å
651I38.7Very low41.7Very low120 Ų120112.3 Ų112.362%0.61563%0.627SS**Hα-helixtrans-71.3-22.1-169.8-62.6177.2000113.4I649 S654I649-I651 VanDerWaalsContact C-N 3.26Å; I649-I651 PolarHBondContact O-N 3.11Å; I649-I651 VanDerWaalsContact O-N 3.13Å; I651-S654 PolarHBondContact O-OG 3.37Å; I651-S654 VanDerWaalsContact O-OG 3.07Å
652R40.1Very low40.5Very low175 Ų175115.8 Ų115.866%0.6665%0.646SS**Hα-helixtrans-94.2-16.8-173.5-76.1-172.8178.2144.29.4116.5I649 V650 T656I649-R652 PolarHBondContact O-N 3.45Å; V650-R652 VanDerWaalsContact C-N 3.33Å; V650-R652 PolarHBondContact O-N 3.22Å; R652-T656 PolarHBondContact O-N 2.91Å; R652-T656 PolarHBondContact O-OG1 2.78Å
653L35.4Very low39.6Very low88 Ų88118.9 Ų118.946%0.46166%0.66SS.*Hα-helixtrans-78.4-33.1-178.6-67.9175.1000112.2T656 L657L653-T656 PolarHBondContact O-N 2.85Å; L653-T656 PolarHBondContact O-OG1 2.88Å; L653-L657 PolarHBondContact O-N 3.05Å; L653-L657 VanDerWaalsContact O-N 3.15Å
654S41.5Very low38.8Very low60 Ų60117.6 Ų117.642%0.4265%0.652SS.*Hα-helixtrans-60.3-48166.9380000111.6I651 T656 L657 Q658I651-S654 PolarHBondContact O-OG 3.37Å; I651-S654 VanDerWaalsContact O-OG 3.07Å; S654-T656 PolarHBondContact O-N 2.89Å; S654-T656 VanDerWaalsContact O-N 3.16Å; S654-L657 PolarHBondContact O-N 2.97Å; S654-Q658 PolarHBondContact O-N 2.95Å
655E40.8Very low38.5Very low119 Ų119121 Ų12156%0.55666%0.659SS**Hα-helixtrans-62.9-19.5178.6-66.9-173.1137.500114.4
656T40.5Very low38.2Very low80 Ų80121.8 Ų121.849%0.49166%0.659SS.*Hα-helixtrans-89.7-36.8173.111.90000112.8R652 L653 S654 K659R652-T656 PolarHBondContact O-N 2.91Å; R652-T656 PolarHBondContact O-OG1 2.78Å; L653-T656 PolarHBondContact O-N 2.85Å; L653-T656 PolarHBondContact O-OG1 2.88Å; S654-T656 PolarHBondContact O-N 2.89Å; S654-T656 VanDerWaalsContact O-N 3.16Å; T656-K659 PolarHBondContact O-N 3.05Å
657L39.1Very low38.1Very low130 Ų130119.9 Ų119.968%0.68165%0.653SS**Hα-helixtrans-73.2-27.9178.8-74.6167.5000113.3L653 S654 K659L653-L657 PolarHBondContact O-N 3.05Å; L653-L657 VanDerWaalsContact O-N 3.15Å; S654-L657 PolarHBondContact O-N 2.97Å; L657-K659 PolarHBondContact O-N 2.81Å
658Q40.6Very low37.5Very low163 Ų163121 Ų12176%0.76266%0.664SS**THydrogen-bonded Turntrans-78.113.7173.3-85.9156.8-16.500114.5S654S654-Q658 PolarHBondContact O-N 2.95Å
659K39Very low37.1Very low175 Ų175120.7 Ų120.776%0.76168%0.677SS**THydrogen-bonded Turntrans-120.70.6178-92.8177.5175.9168.70116.1T656 L657T656-K659 PolarHBondContact O-N 3.05Å; L657-K659 PolarHBondContact O-N 2.81Å
660E36.5Very low36.6Very low145 Ų145125.6 Ų125.668%0.67870%0.698SS**SBendtrans-120.928.5179.3-67.4-174.9-174.300112.9R633R633-E660 IonicContact NH2-OE1 3.06Å
661V37.2Very low36Very low119 Ų119127.2 Ų127.272%0.72171%0.712SS**  trans-116.2-1.6178.3-166.90000113.5S663V661-S663 PolarHBondContact O-N 3.16Å
662D32.2Very low35.7Very low161 Ų161129.8 Ų129.886%0.86172%0.722SS**  trans-89.684167.9-79.5-45.1000110.6P664D662-P664 WeakPolarHBondContact O-CD 3.28Å
663S30.7Very low35.3Very low112 Ų112127.8 Ų127.878%0.78373%0.728SS**  trans-83.3120.1176.853.10000111.8V661V661-S663 PolarHBondContact O-N 3.16Å
664P32Very low35.3Very low124 Ų124129 Ų12981%0.80574%0.741SS**  trans-87.9148.3-174.833.7-34.5000112.9D662D662-P664 WeakPolarHBondContact O-CD 3.28Å
665T34.2Very low34.7Very low144 Ų144135.3 Ų135.388%0.88376%0.762SS**  trans-133.1131.5165.2-55.60000110.8
666A31.5Very low34.2Very low79 Ų79133.9 Ų133.965%0.65377%0.765SS**  trans-66.4159-172.500000113
667T34.5Very low33.6Very low130 Ų130134.5 Ų134.580%0.79878%0.778SS**  -172.5156.970.934.30000113.9
668N31.3Very low33.8Very low169 Ų169133.8 Ų133.890%0.90478%0.781SS**  trans4.4125.1163.2-62.8-14.1000120.9
669G34.4Very low33.3Very low80 Ų80131.7 Ų131.783%0.82578%0.78SS**  trans-162.8127.2156.800000111.1
670Q34.5Very low33Very low193 Ų193128.9 Ų128.990%0.90278%0.777SS**  trans-94.5147.3-176.7-70178.1-45.800112.7
671S31.2Very low33Very low106 Ų106131.1 Ų131.174%0.74178%0.779SS**  trans43.3132.2143.2-70.10000122.7
672Q32.4Very low32.7Very low174 Ų174132.5 Ų132.581%0.81378%0.778SS**  trans85.8112.2139.8-75.6-177.8-7.500121.3
673V31.1Very low33.1Very low132 Ų132130.3 Ų130.380%0.877%0.771SS**  trans70.5137.7140.2-52.20000120.9
674P36Very low33.4Very low113 Ų113131.1 Ų131.173%0.73477%0.771SS**  trans-97156.1175.738.3-33.9000112.7
675F29.2Very low34Very low194 Ų194130.4 Ų130.485%0.85177%0.766SS**  trans-169.4143.5137-124.3-134.1000114.2
676S29.7Very low34.1Very low89 Ų89132.5 Ų132.562%0.62277%0.766SS**  trans47.6113.2136.9-63.60000123.6
677A29.2Very low34.3Very low93 Ų93132.9 Ų132.977%0.76977%0.769SS**  81.8175.4117.900000118.1
678P42Very low34.4Very low114 Ų114131.5 Ų131.574%0.7477%0.765SS**  -138.3-148.6-116.928.6-0.1000113.7
679V31.6Very low34.3Very low120 Ų120128.4 Ų128.473%0.72776%0.756SS**  trans92137.5151.9170.80000118.8
680T32.6Very low34.2Very low115 Ų115132 Ų13271%0.70676%0.755SS**  trans84.2134.7153.4-87.10000118.1
681R35Very low33.9Very low193 Ų193126.7 Ų126.773%0.72874%0.744SS**  cis-166.4150.9-0.9-126178.3-176.6-176.24.1113
682Q32.5Very low33.9Very low148 Ų148128.2 Ų128.269%0.69275%0.749SS**  trans54.6160.7141.1-77.5171.1-28.500119.4
683T38.6Very low33.8Very low115 Ų115123.8 Ų123.871%0.70674%0.737SS**  cis-151.1173.2-1.9-0.50000106.8
684T37.3Very low33.8Very low128 Ų128128.8 Ų128.879%0.78574%0.742SS**  cis-150.1166.59-70000108.6
685P45.2Very low33.6Very low109 Ų109128.1 Ų128.171%0.70874%0.74SS**  trans-114.3-179.1-178.742.9-32.9000113.9
686E35.9Very low33.8Very low188 Ų188124 Ų12488%0.87974%0.735SS**  -161.6125.7127.5-102.1169.2-160.700107.3
687A36.8Very low34.3Very low87 Ų87123.7 Ų123.772%0.71974%0.738SS**  86.1139.366.700000112
688S36.1Very low34.7Very low102 Ų102126.7 Ų126.771%0.71374%0.741SS**  cis-148.81569.3-43.90000113.1
689S29.6Very low34.3Very low103 Ų103125.6 Ų125.672%0.7274%0.736SS**  trans23.4146.6136.1670000121.3
690I32.6Very low34.5Very low155 Ų155126.7 Ų126.780%0.79574%0.736SS**  -156.7152.256.9-85.3177.9000110.8
691A27.1Very low34.7Very low83 Ų83128.7 Ų128.769%0.68674%0.737SS**  trans-95.9-152172.900000111.9
692V32.4Very low34.8Very low138 Ų138127.7 Ų127.784%0.83674%0.74SS**  trans78.3140.5176.3-177.10000114.3
693S30.1Very low34.8Very low81 Ų81123.4 Ų123.457%0.56674%0.736SS**  cis-174.3147.2-26.5-90.20000108.8
694R29.6Very low34.5Very low236 Ų236128.9 Ų128.989%0.89175%0.746SS**  trans63.7167.6155.8-66.1162.8-172.5178.30.8114.2
695S32.8Very low34.6Very low100 Ų100128.1 Ų128.170%0.69974%0.743SS**  cis-168.2139.4-23.649.10000105.8
696S34.2Very low34Very low106 Ų106126.5 Ų126.574%0.74175%0.746SS**  168.1170.379.3-82.30000109.4
697A39.1Very low33.8Very low83 Ų83123.6 Ų123.669%0.68675%0.747SS**  trans19.8136.414800000120
698N36.8Very low33.6Very low157 Ų157123.8 Ų123.884%0.8475%0.748SS**  cis-170.9174.210.3-103.4-6.6000107.1
699S34Very low33.3Very low90 Ų90122.7 Ų122.763%0.62975%0.753SS**  cis-176.2150-25.8-176.40000105.4
700I37.2Very low33.4Very low143 Ų143124.2 Ų124.273%0.73376%0.757SS**  178.3139.796.3-89.8174.8000107.6
701H36.6Very low33.3Very low157 Ų157127.9 Ų127.973%0.72776%0.761SS**  trans28.2151151.1-74.1-109.1000122.6
702H36.2Very low33.3Very low172 Ų172131.9 Ų131.980%0.79677%0.77SS**  cis175.2144.8-19.7-123.7-106.8000103.8
703G33.5Very low33.2Very low59 Ų59130.9 Ų130.961%0.60877%0.767SS**  cis-179.9149.1-10.100000111.3
704Y30.9Very low33.3Very low229 Ų229132.3 Ų132.390%0.89878%0.777SS**  trans6.1166.9140.4-67.7-62000122.5
705P39.7Very low33.6Very low113 Ų113126.5 Ų126.573%0.73477%0.769SS**  cis-143.9158.3-24.735.7-16.6000117.1
706G32.5Very low33.4Very low75 Ų75128.9 Ų128.977%0.77377%0.773SS**  61.5135.6112.800000125.1
707S32.7Very low33.1Very low127 Ų127129.6 Ų129.689%0.88877%0.772SS**  116148.5128.3-153.10000119.9
708A32.1Very low32.7Very low91 Ų91135 Ų13575%0.75278%0.78SS**  trans79.160.8152.900000123.2
709G29.4Very low32.4Very low78 Ų78136.2 Ų136.280%0.80478%0.781SS**  78.6-170.7122.300000122.1
710V32.4Very low32.4Very low135 Ų135135.8 Ų135.882%0.81878%0.778SS**  trans78117.1176.2-171.40000118.5
711R29.8Very low32.2Very low233 Ų233136.2 Ų136.288%0.87978%0.781SS**  trans22.8148145.3-54.8176.4-179.7177.6-0.9122.8
712L27.4Very low32.1Very low167 Ų167134.8 Ų134.887%0.87478%0.778SS**  trans-13.7152.6149.9-62163.4000117.6
713P30.9Very low31.9Very low117 Ų117133.6 Ų133.676%0.7678%0.776SS**  cis-142.7-155.42343.6-22.9000115.1
714S32.2Very low31.7Very low111 Ų111135.2 Ų135.278%0.77678%0.778SS**  trans-76.5149.3177.4-30.60000115.7
715P34.3Very low31.8Very low113 Ų113130.6 Ų130.673%0.73477%0.774SS**  trans-134.2161.7136.834.8-20.6000111.5
716I29.2Very low31.3Very low151 Ų151128.9 Ų128.977%0.77478%0.777SS**  cis82.291.531-58.3-178.3000114.7
717T28.8Very low31.3Very low120 Ų120130.4 Ų130.474%0.73678%0.782SS**  trans34.4139.4147.363.50000124.2
718K30.1Very low31.1Very low196 Ų196130.8 Ų130.885%0.85278%0.779SS**  trans92.6161.7138-87.6176.6178.3-177.80120.9
719E31.2Very low31.4Very low183 Ų183131.7 Ų131.786%0.85578%0.778SS**  trans75.5151.8175.7-53-159.5-166.200116.7
720S32.7Very low31.3Very low81 Ų81135 Ų13557%0.56678%0.782SS**  cis-135.2159-0.6-150.50000109.4
721L34.2Very low31.3Very low153 Ų153132.2 Ų132.280%0.80177%0.773SS**  177.3158.585.5-68.8156.6000106.3
722L33.4Very low31.6Very low127 Ų127128.4 Ų128.467%0.66577%0.77SS**  cis-162.7157.6-23.9-105.8-179.7000108.7
723I32.6Very low31.9Very low146 Ų146129.5 Ų129.575%0.74977%0.768SS**  trans71.6104.9148.1-67.4165.2000120.3
724S30.1Very low32Very low94 Ų94126.9 Ų126.966%0.65776%0.756SS**  trans85.8104.5131-131.20000124.2
725T31.2Very low32Very low131 Ų131128.4 Ų128.480%0.80476%0.755SS**  51.7114.8125.2630000122.4
726G29.6Very low32Very low78 Ų78130.1 Ų130.180%0.80475%0.753SS**  105.6153.9117.700000118.6
727A33.1Very low32.2Very low106 Ų106126.4 Ų126.488%0.87674%0.741SS**  trans60100.7171.400000118.3
728T29.5Very low32.3Very low135 Ų135125.6 Ų125.683%0.82874%0.735SS**  trans-62.4165.4145.342.80000110.5
729P36.7Very low32.4Very low111 Ų111123.5 Ų123.572%0.72173%0.729SS**  cis-142.417027.440-19.4000119.1
730V29.3Very low32.5Very low146 Ų146121.4 Ų121.489%0.88572%0.723SS**  trans35.999.8144.4-176.20000118.2
731A31.9Very low32.5Very low77 Ų77121.5 Ų121.564%0.63673%0.729SS**SBendtrans-156.1-70.7149.900000110.7K733A731-K733 VanDerWaalsContact C-N 3.31Å; A731-K733 PolarHBondContact O-N 2.92Å
732N34.7Very low32.6Very low153 Ų153119 Ų11982%0.81872%0.724SS**THydrogen-bonded Turntrans-86.631.8-159.7-64.8-6000116
733K34.9Very low33.2Very low190 Ų190116.2 Ų116.283%0.82671%0.708SS**THydrogen-bonded Turntrans-104.2-4.3177.3-135.9176.7-174.1-179.80115.1A731 S737A731-K733 VanDerWaalsContact C-N 3.31Å; A731-K733 PolarHBondContact O-N 2.92Å; K733-S737 PolarHBondContact O-OG 3.42Å
734A32.7Very low34Very low63 Ų63112.4 Ų112.452%0.52169%0.694SS.*SBendtrans-76.4-38.3177.800000113.5Q736 S737 V738A734-Q736 PolarHBondContact O-N 2.96Å; A734-S737 WeakPolarHBondContact CA-OG 3.29Å; A734-S737 PolarHBondContact O-N 2.97Å; A734-S737 PolarHBondContact O-OG 3.02Å; A734-V738 PolarHBondContact O-N 2.88Å
735L33Very low34.8Very low142 Ų142110 Ų11074%0.74368%0.68SS**Hα-helixtrans-68.7-33.6-172.2-81.4160.9000114.1
736Q34.5Very low35.5Very low150 Ų150110 Ų11070%0.70167%0.669SS**Hα-helixtrans-89.3-9.8177.2-72.1-179.9-12.900114.1A734 N740A734-Q736 PolarHBondContact O-N 2.96Å; Q736-N740 PolarHBondContact O-ND2 2.9Å
737S31.8Very low36.7Very low73 Ų73108.2 Ų108.251%0.5165%0.646SS.*Hα-helixtrans-81.6-25170.448.70000113.5K733 A734K733-S737 PolarHBondContact O-OG 3.42Å; A734-S737 WeakPolarHBondContact CA-OG 3.29Å; A734-S737 PolarHBondContact O-N 2.97Å; A734-S737 PolarHBondContact O-OG 3.02Å
738V31.1Very low37.6Very low102 Ų102108.3 Ų108.362%0.61862%0.624SS**Hα-helixtrans-73.1-41.7-179.8173.20000111.7A734 N740 A741A734-V738 PolarHBondContact O-N 2.88Å; V738-N740 PolarHBondContact O-N 3.12Å; V738-N740 VanDerWaalsContact O-N 3.07Å; V738-A741 PolarHBondContact O-N 2.87Å
739Q33.5Very low38.7Very low153 Ų153106.7 Ų106.772%0.71561%0.606SS**THydrogen-bonded Turntrans-62.7-16.1-179.9-70.8-179.3-40.800114.7
740N32.1Very low39.6Very low138 Ų138107 Ų10774%0.73860%0.595SS**THydrogen-bonded Turntrans-104.81.4176.6-69.5-71.1000113.5Q736 V738Q736-N740 PolarHBondContact O-ND2 2.9Å; V738-N740 PolarHBondContact O-N 3.12Å; V738-N740 VanDerWaalsContact O-N 3.07Å
741A33.3Very low40.7Very low84 Ų84107.9 Ų107.969%0.69458%0.583SS**SBendtrans-100.1-6.3-174.500000114.3V738V738-A741 PolarHBondContact O-N 2.87Å
742S35.7Very low41.7Very low99 Ų99110.4 Ų110.469%0.69258%0.58SS**  trans-107.620.5-173.759.70000114.7S744S742-S744 PolarHBondContact O-N 3.36Å
743E45.1Very low41.9Very low69 Ų69105.9 Ų105.932%0.32257%0.57SS.*  trans-65.397.3173.6-160.3179-138.300109.4A747 R748 R751E743-A747 HydrophobicContact CG-CB 3.78Å; E743-R748 HydrophobicContact CG-CG 3.95Å; E743-R748 VanDerWaalsContact O-CZ 3.31Å; E743-R748 PolarHBondContact O-NE 2.85Å; E743-R748 PolarHBondContact O-NH2 3.01Å; E743-R748 VanDerWaalsContact OE2-CG 3.25Å; E743-R748 WeakPolarHBondContact OE2-CG 3.29Å; E743-R751 WeakPolarHBondContact OE1-CD 3.38Å; E743-R751 IonicContact OE1-CZ 3.27Å; E743-R751 IonicContact OE1-NE 2.76Å; E743-R751 IonicContact OE1-NH1 2.85Å; E743-R751 PolarHBondContact OE1-NH1 3.41Å; E743-R751 IonicContact OE2-NH1 3.13Å
744S49.9Very low42.5Very low67 Ų67101.1 Ų101.147%0.46956%0.56SS.*  trans-49.9152.4-178.8175.80000111.8S742 F746 A747 R748S742-S744 PolarHBondContact O-N 3.36Å; S744-F746 PolarHBondContact O-N 2.91Å; S744-F746 VanDerWaalsContact O-N 3.17Å; S744-F746 PolarHBondContact OG-N 3.38Å; S744-A747 PolarHBondContact O-N 3.13Å; S744-R748 PolarHBondContact O-N 3.23Å
745A47.8Very low43.6Very low43 Ų43100.9 Ų100.936%0.35555%0.549SS..Hα-helixtrans-54.7-34.517200000111.1F749A745-F749 VanDerWaalsContact O-CB 3.26Å; A745-F749 WeakPolarHBondContact O-CB 3.22Å; A745-F749 PolarHBondContact O-N 3.27Å
746F45.3Very low44.4Very low132 Ų132100.7 Ų100.758%0.57954%0.538SS*.Hα-helixtrans-68-37.1173.9-168.8-101.2000113.5S744 F749 K750S744-F746 PolarHBondContact O-N 2.91Å; S744-F746 VanDerWaalsContact O-N 3.17Å; S744-F746 PolarHBondContact OG-N 3.38Å; F746-F749 WeakPolarHBondContact O-CB 3.36Å; F746-F749 PolarHBondContact O-N 2.85Å; F746-K750 HydrophobicContact CE1-CG 4.27Å; F746-K750 PolarHBondContact O-N 2.86Å
747A55.7Low45.5Very low39 Ų3996.1 Ų96.132%0.32253%0.532SS..Hα-helixtrans-70.7-41.8176.400000111.4E743 S744 F749 K750 R751E743-A747 HydrophobicContact CG-CB 3.78Å; S744-A747 PolarHBondContact O-N 3.13Å; A747-F749 VanDerWaalsContact C-N 3.33Å; A747-K750 PolarHBondContact O-N 2.79Å; A747-R751 VanDerWaalsContact O-CB 3.28Å; A747-R751 WeakPolarHBondContact O-CB 3.49Å; A747-R751 PolarHBondContact O-N 3.43Å
748R52.1Low46.4Very low109 Ų10999.7 Ų99.741%0.41154%0.54SS..Hα-helixtrans-62.4-39.4170.4-80.9176.9-85.4156-7.1111.9E743 S744 R751 F752E743-R748 HydrophobicContact CG-CG 3.95Å; E743-R748 VanDerWaalsContact O-CZ 3.31Å; E743-R748 PolarHBondContact O-NE 2.85Å; E743-R748 PolarHBondContact O-NH2 3.01Å; E743-R748 VanDerWaalsContact OE2-CG 3.25Å; E743-R748 WeakPolarHBondContact OE2-CG 3.29Å; S744-R748 PolarHBondContact O-N 3.23Å; R748-R751 PolarHBondContact O-N 3.08Å; R748-F752 WeakPolarHBondContact O-CD2 3.31Å; R748-F752 PolarHBondContact O-N 2.71Å
749F51.6Low47.5Very low100 Ų10098.2 Ų98.244%0.43953%0.527SS..Hα-helixtrans-60.4-53.2173.4179.2-100.7000112.2A745 F746 A747 R751 F752 G753A745-F749 VanDerWaalsContact O-CB 3.26Å; A745-F749 WeakPolarHBondContact O-CB 3.22Å; A745-F749 PolarHBondContact O-N 3.27Å; F746-F749 WeakPolarHBondContact O-CB 3.36Å; F746-F749 PolarHBondContact O-N 2.85Å; A747-F749 VanDerWaalsContact C-N 3.33Å; F749-R751 PolarHBondContact O-N 2.74Å; F749-R751 VanDerWaalsContact O-N 3.12Å; F749-F752 PolarHBondContact O-N 2.79Å; F749-G753 PolarHBondContact O-N 2.97Å
750K55.1Low48.7Very low117 Ų11794.9 Ų94.951%0.50951%0.513SS..Hα-helixtrans-54.8-30.2173.7-83.3-135-179.8-160.50113F746 A747 E946F746-K750 HydrophobicContact CE1-CG 4.27Å; F746-K750 PolarHBondContact O-N 2.86Å; A747-K750 PolarHBondContact O-N 2.79Å; K750-E946 IonicContact NZ-OE1 3.4Å; K750-E946 PolarHBondContact NZ-OE1 2.86Å; K750-E946 IonicContact NZ-OE2 3.41Å; K750-E946 PolarHBondContact NZ-OE2 3.32Å
751R52.6Low50.2Low165 Ų16590.5 Ų90.562%0.62350%0.496SS*.Hα-helixtrans-87.5-28.3-173.9-164.4174.3-166.9179.84115E743 A747 R748 F749E743-R751 WeakPolarHBondContact OE1-CD 3.38Å; E743-R751 IonicContact OE1-CZ 3.27Å; E743-R751 IonicContact OE1-NE 2.76Å; E743-R751 IonicContact OE1-NH1 2.85Å; E743-R751 PolarHBondContact OE1-NH1 3.41Å; E743-R751 IonicContact OE2-NH1 3.13Å; A747-R751 VanDerWaalsContact O-CB 3.28Å; A747-R751 WeakPolarHBondContact O-CB 3.49Å; A747-R751 PolarHBondContact O-N 3.43Å; R748-R751 PolarHBondContact O-N 3.08Å; F749-R751 PolarHBondContact O-N 2.74Å; F749-R751 VanDerWaalsContact O-N 3.12Å
752F53Low51.5Low131 Ų13192.7 Ų92.758%0.57549%0.492SS*.Hα-helixtrans-121.8-11-173.4-64.2-71.8000114.8R748 F749 S754R748-F752 WeakPolarHBondContact O-CD2 3.31Å; R748-F752 PolarHBondContact O-N 2.71Å; F749-F752 PolarHBondContact O-N 2.79Å; F752-S754 PolarHBondContact O-N 2.85Å
753G39.4Very low52.6Low58 Ų5889.1 Ų89.160%0.59847%0.467SS*.SBendtrans69-8.1171.600000116.4F749F749-G753 PolarHBondContact O-N 2.97Å
754S48.3Very low53.5Low90 Ų9090.2 Ų90.263%0.62947%0.474SS*.  trans-162.4128172.8-171.60000109.5F752F752-S754 PolarHBondContact O-N 2.85Å
755M54.5Low54Low57 Ų5792.1 Ų92.128%0.28148%0.479SS..  trans-86.3143.5162.6-81-170.3-7400109.2E759 L760M755-E759 HydrophobicContact CB-CB 4.42Å; M755-L760 HydrophobicContact CE-CD1 3.82Å
756R51Low54.6Low138 Ų13895.1 Ų95.152%0.52149%0.487SS..  trans-63.8148.2162.5-68.3-173.5169.391.1-2.2109.5E155 Q758 E759 L760E155-R756 IonicContact OE2-NH1 2.63Å; R756-Q758 PolarHBondContact O-N 2.96Å; R756-E759 HydrophobicContact CB-CG 4.25Å; R756-E759 WeakPolarHBondContact CD-OE1 3.31Å; R756-E759 WeakPolarHBondContact CG-OE1 3.34Å; R756-E759 PolarHBondContact N-OE2 3.2Å; R756-E759 IonicContact NH1-OE1 2.72Å; R756-E759 PolarHBondContact NH1-OE1 2.68Å; R756-E759 WeakPolarHBondContact O-CB 3.33Å; R756-E759 PolarHBondContact O-N 3.09Å; R756-L760 PolarHBondContact O-N 3.49Å
757G57.1Low54.9Low55 Ų5594.1 Ų94.157%0.56749%0.487SS*.Hα-helixtrans-54-28.4173.800000114A761G757-A761 WeakPolarHBondContact O-CB 3.47Å; G757-A761 PolarHBondContact O-N 2.89Å
758Q51.1Low54.6Low148 Ų14895.9 Ų95.969%0.69250%0.497SS*.Hα-helixtrans-72.8-35.3172.8-71.6-177.2-17.300113.7R756 Q762R756-Q758 PolarHBondContact O-N 2.96Å; Q758-Q762 WeakPolarHBondContact O-CB 3.24Å; Q758-Q762 VanDerWaalsContact O-CG 3.26Å; Q758-Q762 WeakPolarHBondContact O-CG 3.41Å; Q758-Q762 PolarHBondContact O-N 2.99Å
759E54.4Low54.4Low71 Ų7193.5 Ų93.533%0.33250%0.497SS..Hα-helixtrans-74.7-36.5176.7-67.4145-157.700110.6M755 R756 S763M755-E759 HydrophobicContact CB-CB 4.42Å; R756-E759 HydrophobicContact CB-CG 4.25Å; R756-E759 WeakPolarHBondContact CD-OE1 3.31Å; R756-E759 WeakPolarHBondContact CG-OE1 3.34Å; R756-E759 PolarHBondContact N-OE2 3.2Å; R756-E759 IonicContact NH1-OE1 2.72Å; R756-E759 PolarHBondContact NH1-OE1 2.68Å; R756-E759 WeakPolarHBondContact O-CB 3.33Å; R756-E759 PolarHBondContact O-N 3.09Å; E759-S763 WeakPolarHBondContact O-CB 3.44Å; E759-S763 PolarHBondContact O-N 3.15Å; E759-S763 PolarHBondContact O-OG 2.99Å
760L58.4Low54.3Low82 Ų8296.9 Ų96.943%0.42951%0.507SS..Hα-helixtrans-60.5-51.4167.8179.767000110.7M755 R756 Q762 S763 I764M755-L760 HydrophobicContact CE-CD1 3.82Å; R756-L760 PolarHBondContact O-N 3.49Å; L760-Q762 PolarHBondContact O-N 2.84Å; L760-S763 WeakPolarHBondContact O-CB 3.19Å; L760-S763 PolarHBondContact O-N 3.45Å; L760-S763 VanDerWaalsContact O-N 3.12Å; L760-I764 HydrophobicContact CD1-CD1 4.12Å; L760-I764 HydrophobicContact CG-CD1 3.92Å; L760-I764 WeakPolarHBondContact O-CG1 3.46Å; L760-I764 PolarHBondContact O-N 3.26Å
761A62.8Low53.7Low46 Ų4696 Ų9638%0.3851%0.508SS..Hα-helixtrans-63.5-36.7178.200000113.1G757 N765G757-A761 WeakPolarHBondContact O-CB 3.47Å; G757-A761 PolarHBondContact O-N 2.89Å; A761-N765 VanDerWaalsContact O-CB 3.31Å; A761-N765 WeakPolarHBondContact O-CB 3.33Å; A761-N765 PolarHBondContact O-N 3.49Å
762Q61.6Low53.1Low130 Ų13090.2 Ų90.261%0.60750%0.499SS*.Hα-helixtrans-66-38.7171.7-78.4176.89.700112Q758 L760 N765 M766Q758-Q762 WeakPolarHBondContact O-CB 3.24Å; Q758-Q762 VanDerWaalsContact O-CG 3.26Å; Q758-Q762 WeakPolarHBondContact O-CG 3.41Å; Q758-Q762 PolarHBondContact O-N 2.99Å; L760-Q762 PolarHBondContact O-N 2.84Å; Q762-N765 PolarHBondContact O-N 3.48Å; Q762-M766 VanDerWaalsContact O-CB 3.3Å; Q762-M766 WeakPolarHBondContact O-CB 3.22Å; Q762-M766 WeakPolarHBondContact O-CG 3.36Å; Q762-M766 PolarHBondContact O-N 3.35Å
763S58.1Low52.4Low24 Ų2491.4 Ų91.417%0.16851%0.507CS..Hα-helixtrans-66.5-43.5175.7-58.90000111.4E759 L760 M766 L767E759-S763 WeakPolarHBondContact O-CB 3.44Å; E759-S763 PolarHBondContact O-N 3.15Å; E759-S763 PolarHBondContact O-OG 2.99Å; L760-S763 WeakPolarHBondContact O-CB 3.19Å; L760-S763 PolarHBondContact O-N 3.45Å; L760-S763 VanDerWaalsContact O-N 3.12Å; S763-M766 PolarHBondContact O-N 2.89Å; S763-L767 VanDerWaalsContact O-CG 3.3Å; S763-L767 WeakPolarHBondContact O-CG 3.38Å; S763-L767 PolarHBondContact O-N 3.45Å
764I63.1Low52.2Low92 Ų9294.2 Ų94.247%0.47251%0.512SS..Hα-helixtrans-61.9-45.7173.8-69168.6000110.7L760 M766 L767 S768L760-I764 HydrophobicContact CD1-CD1 4.12Å; L760-I764 HydrophobicContact CG-CD1 3.92Å; L760-I764 WeakPolarHBondContact O-CG1 3.46Å; L760-I764 PolarHBondContact O-N 3.26Å; I764-M766 PolarHBondContact O-N 3.09Å; I764-L767 PolarHBondContact O-N 2.93Å; I764-S768 VanDerWaalsContact O-CB 3.31Å; I764-S768 WeakPolarHBondContact O-CB 3.33Å; I764-S768 PolarHBondContact O-N 3.35Å
765N61.2Low51.7Low107 Ų10795.7 Ų95.757%0.57252%0.517SS*.Hα-helixtrans-67.3-34.2177.6-79.1-18.1000113A761 Q762 L767 S768 S769A761-N765 VanDerWaalsContact O-CB 3.31Å; A761-N765 WeakPolarHBondContact O-CB 3.33Å; A761-N765 PolarHBondContact O-N 3.49Å; Q762-N765 PolarHBondContact O-N 3.48Å; N765-L767 VanDerWaalsContact C-N 3.34Å; N765-S768 PolarHBondContact O-N 3.37Å; N765-S769 WeakPolarHBondContact O-CB 3.09Å; N765-S769 PolarHBondContact O-N 3.32Å; N765-S769 PolarHBondContact O-OG 3Å; N765-S769 VanDerWaalsContact O-OG 3.1Å
766M61Low50.7Low106 Ų106103.7 Ų103.752%0.52254%0.544SS..Hα-helixtrans-67.8-31.4172.5-84.4-70.3-63.300113.2Q762 S763 I764 S769 R770Q762-M766 VanDerWaalsContact O-CB 3.3Å; Q762-M766 WeakPolarHBondContact O-CB 3.22Å; Q762-M766 WeakPolarHBondContact O-CG 3.36Å; Q762-M766 PolarHBondContact O-N 3.35Å; S763-M766 PolarHBondContact O-N 2.89Å; I764-M766 PolarHBondContact O-N 3.09Å; M766-S769 PolarHBondContact O-OG 3.46Å; M766-R770 WeakPolarHBondContact O-CB 3.21Å; M766-R770 VanDerWaalsContact O-CG 3.3Å; M766-R770 WeakPolarHBondContact O-CG 3.41Å; M766-R770 PolarHBondContact O-N 3.44Å
767L50.7Low49.8Very low112 Ų112102.7 Ų102.759%0.58656%0.558SS**Hα-helixtrans-75.3-43.1172.5-70.1166.2000110.7S763 I764 N765 R770 L771S763-L767 VanDerWaalsContact O-CG 3.3Å; S763-L767 WeakPolarHBondContact O-CG 3.38Å; S763-L767 PolarHBondContact O-N 3.45Å; I764-L767 PolarHBondContact O-N 2.93Å; N765-L767 VanDerWaalsContact C-N 3.34Å; L767-R770 PolarHBondContact O-N 2.93Å; L767-L771 PolarHBondContact O-N 2.71Å
768S50.1Low48.7Very low75 Ų75105.3 Ų105.352%0.52458%0.575SS.*Hα-helixtrans-63.6-43.7178.5-170.50000112.5I764 N765 L771 G772I764-S768 VanDerWaalsContact O-CB 3.31Å; I764-S768 WeakPolarHBondContact O-CB 3.33Å; I764-S768 PolarHBondContact O-N 3.35Å; N765-S768 PolarHBondContact O-N 3.37Å; S768-L771 PolarHBondContact O-N 3.29Å; S768-G772 PolarHBondContact O-N 3.03Å; S768-G772 VanDerWaalsContact O-N 3.11Å
769S47.1Very low47.9Very low60 Ų60102.4 Ų102.442%0.4259%0.585SS.*Hα-helixtrans-64.9-40.617562.40000112.3N765 M766 L771 G772 E773N765-S769 WeakPolarHBondContact O-CB 3.09Å; N765-S769 PolarHBondContact O-N 3.32Å; N765-S769 PolarHBondContact O-OG 3Å; N765-S769 VanDerWaalsContact O-OG 3.1Å; M766-S769 PolarHBondContact O-OG 3.46Å; S769-L771 VanDerWaalsContact C-N 3.29Å; S769-L771 PolarHBondContact O-N 2.99Å; S769-G772 PolarHBondContact O-N 3.32Å; S769-E773 PolarHBondContact O-N 2.87Å
770R49.5Very low46.8Very low170 Ų170103.1 Ų103.164%0.64261%0.611SS**Hα-helixtrans-66.7-26.4174.5-77.3-179168.9-162-4.2113.8M766 L767M766-R770 WeakPolarHBondContact O-CB 3.21Å; M766-R770 VanDerWaalsContact O-CG 3.3Å; M766-R770 WeakPolarHBondContact O-CG 3.41Å; M766-R770 PolarHBondContact O-N 3.44Å; L767-R770 PolarHBondContact O-N 2.93Å
771L42.7Very low45.6Very low99 Ų99102.8 Ų102.852%0.51863%0.628SS.*Hα-helixtrans-75.4-23.4168.6-107.796.7000113.4L767 S768 S769 I802L767-L771 PolarHBondContact O-N 2.71Å; S768-L771 PolarHBondContact O-N 3.29Å; S769-L771 VanDerWaalsContact C-N 3.29Å; S769-L771 PolarHBondContact O-N 2.99Å; L771-I802 HydrophobicContact CD1-CD1 4.3Å; L771-I802 HydrophobicContact CD2-CD1 3.37Å; L771-I802 HydrophobicContact CG-CD1 4.48Å
772G39.7Very low44.2Very low44 Ų44109 Ų10945%0.45465%0.646SS.*Hα-helixtrans-74.7-30.2179.500000114.3S768 S769S768-G772 PolarHBondContact O-N 3.03Å; S768-G772 VanDerWaalsContact O-N 3.11Å; S769-G772 PolarHBondContact O-N 3.32Å
773E38Very low42.9Very low156 Ų156109.7 Ų109.773%0.72965%0.649SS**Hα-helixtrans-87.5-26.3-172.6-66.2-175131.300113.8S769 V775S769-E773 PolarHBondContact O-N 2.87Å; E773-V775 VanDerWaalsContact C-N 3.26Å; E773-V775 PolarHBondContact O-N 2.87Å
774T36.4Very low41.7Very low116 Ų116113.6 Ų113.671%0.71267%0.672SS**THydrogen-bonded Turntrans-76.3-4.8-178.245.30000114.9
775V37.9Very low40.3Very low121 Ų121118.2 Ų118.273%0.73369%0.689SS**THydrogen-bonded Turntrans-98.55.8-178.6-171.10000112.5E773E773-V775 VanDerWaalsContact C-N 3.26Å; E773-V775 PolarHBondContact O-N 2.87Å
776R32.1Very low39Very low225 Ų225118.3 Ų118.385%0.84969%0.69SS**SBendtrans-133.725.4-173.7-59-166.2-167.2-147.13.9117.5
777S33.2Very low37.8Very low117 Ų117120.4 Ų120.482%0.81870%0.698SS**  trans-15993.3162.2-164.70000113.7
778A34.8Very low37.1Very low111 Ų111123.3 Ų123.392%0.91771%0.709SS**  trans-159.586.3169.400000110.9
779G32.5Very low36.5Very low87 Ų87125.2 Ų125.290%0.89772%0.719SS**  trans-165.7103.9178.300000114.4
780G32.4Very low35.8Very low85 Ų85127.4 Ų127.488%0.87673%0.734SS**  trans124.676.7161.100000117.7
781G32.9Very low34.9Very low76 Ų76127 Ų12778%0.78475%0.745SS**  trans68.3176.615500000118.3
782K33.7Very low34.6Very low175 Ų175131.6 Ų131.676%0.76176%0.764SS**  cis-174.5140.9-28-132.5-178.5163.7-129.50107.9
783E35Very low34.3Very low145 Ų145138.7 Ų138.768%0.67879%0.785SS**  trans66.4149160.8-61.6156.6-15100117.4
784T31.8Very low34.2Very low106 Ų106140.7 Ų140.765%0.6579%0.794SS**  cis-170.1164.8-2731.70000109.2
785F34.1Very low33.9Very low189 Ų189143 Ų14383%0.82980%0.797SS**  trans70.4148.3162.2-67.7-66.2000118.2
786N34.5Very low33.9Very low110 Ų110146.5 Ų146.559%0.58881%0.806SS**  cis-167151.8-20.2-156.132.2000111.3
787E35.9Very low34Very low150 Ų150144.3 Ų144.370%0.70180%0.802SS**  trans53.8152.9160.1-73.2156.5-155.500119.4
788H36Very low34.2Very low173 Ų173144.5 Ų144.580%0.80180%0.801SS**  cis-150.3172.8-5.3-122.3-23.2000107.7
789P36.6Very low34.3Very low115 Ų115144.5 Ų144.575%0.74779%0.791SS**  trans-112.3168.3-149.941.8-37.6000117.6
790S32.3Very low34.2Very low105 Ų105147.3 Ų147.373%0.73479%0.791SS**  trans-159.3117160.7590000112.7
791D30Very low34.6Very low162 Ų162151.4 Ų151.487%0.86679%0.785SS**  trans33.987.3148.9-44.8-24.9000120.6
792E37.2Very low34.9Very low195 Ų195153.5 Ų153.591%0.91178%0.777SS**  trans-141.2147149.9-73.2-161159.200111
793E34.1Very low35.1Very low194 Ų194149.3 Ų149.391%0.90776%0.762SS**  trans-87.9110.5-179.6-63.9177.2122.400111.6Q795E793-Q795 PolarHBondContact O-N 3.45Å
794E34.8Very low35.1Very low197 Ų197145.7 Ų145.792%0.92175%0.75SS**  trans-76.7111.8176.1-75.3-162.9116.300112.6E796E794-E796 PolarHBondContact O-N 2.85Å
795Q31.2Very low35.5Very low164 Ų164146 Ų14677%0.76675%0.754SS**  trans-81.7108167.5-69.2-175.2-16.400111.1E793 K797E793-Q795 PolarHBondContact O-N 3.45Å; Q795-K797 PolarHBondContact O-N 2.93Å
796E36.2Very low35.7Very low196 Ų196142.3 Ų142.392%0.91674%0.742SS**  trans-59.2136167.7-75.2-163.3111.300111.7E794E794-E796 PolarHBondContact O-N 2.85Å
797K34.7Very low36Very low178 Ų178139.8 Ų139.877%0.77473%0.728SS**  trans-126.9123170.1-77.3175.1-179156.60109.8Q795Q795-K797 PolarHBondContact O-N 2.93Å
798P37.6Very low36.5Very low122 Ų122135.9 Ų135.979%0.79271%0.712SS**  trans-68144.1169.329.1-33.4000110.4
799P36.1Very low37.2Very low110 Ų110133.3 Ų133.371%0.71470%0.7SS**  trans-81.9132-17331.1-34.8000112.8K801P799-K801 PolarHBondContact O-N 3.03Å; P799-K801 VanDerWaalsContact O-N 3.07Å
800T31.4Very low37.9Very low147 Ų147132.5 Ų132.590%0.90269%0.689SS**  trans-70.899.216917.70000110.9
801K41.6Very low39Very low171 Ų171131.3 Ų131.374%0.74367%0.672SS**  trans-68.1146.8165.4-64.6179.3-178.8176.20109.9P799P799-K801 PolarHBondContact O-N 3.03Å; P799-K801 VanDerWaalsContact O-N 3.07Å
802I38Very low40.4Very low120 Ų120126.4 Ų126.462%0.61565%0.645SS**  trans-79.4126.2173.3-67.5-179.8000108.6L771 T804L771-I802 HydrophobicContact CD1-CD1 4.3Å; L771-I802 HydrophobicContact CD2-CD1 3.37Å; L771-I802 HydrophobicContact CG-CD1 4.48Å; I802-T804 PolarHBondContact O-N 3.45Å
803I38.8Very low41.7Very low87 Ų87122.2 Ų122.245%0.44663%0.626SS.*  trans-80109.2-174.8-61.7155.6000108.7D807 L808 Q811I803-D807 HydrophobicContact CB-CB 4.2Å; I803-D807 HydrophobicContact CG2-CB 3.76Å; I803-L808 HydrophobicContact CG2-CB 3.96Å; I803-L808 HydrophobicContact CG2-CD1 3.8Å; I803-Q811 VanDerWaalsContact CD1-NE2 3.3Å
804T34.3Very low43.7Very low69 Ų69116 Ų11642%0.42360%0.604SS.*  trans-73169.2165.168.90000110.6I802 L806 D807 L808I802-T804 PolarHBondContact O-N 3.45Å; T804-L806 PolarHBondContact O-N 3.15Å; T804-L806 VanDerWaalsContact O-N 3.17Å; T804-L806 PolarHBondContact OG1-N 3.5Å; T804-D807 VanDerWaalsContact CB-OD2 3.27Å; T804-D807 WeakPolarHBondContact CB-OD2 3.48Å; T804-D807 WeakPolarHBondContact CG2-OD2 3.38Å; T804-D807 PolarHBondContact N-OD2 3.47Å; T804-D807 PolarHBondContact O-N 3.48Å; T804-D807 VanDerWaalsContact O-N 3.08Å; T804-D807 PolarHBondContact OG1-N 3.03Å; T804-D807 VanDerWaalsContact OG1-N 3.12Å; T804-D807 PolarHBondContact OG1-OD2 3.3Å; T804-L808 PolarHBondContact O-N 2.94Å
805P39.9Very low45.7Very low113 Ų113108 Ų10873%0.73457%0.568SS**Hα-helixtrans-55.7-30.4171.8-26.936.5000113.4L808 E809P805-L808 WeakPolarHBondContact O-CB 3.25Å; P805-L808 PolarHBondContact O-N 3.27Å; P805-E809 PolarHBondContact O-N 3.47Å
806L39.3Very low47.9Very low110 Ų110102 Ų10258%0.57654%0.543SS*.Hα-helixtrans-76-37.4175.7-167.570.5000112.1T804 L808 E809 L810T804-L806 PolarHBondContact O-N 3.15Å; T804-L806 VanDerWaalsContact O-N 3.17Å; T804-L806 PolarHBondContact OG1-N 3.5Å; L806-L808 PolarHBondContact O-N 2.93Å; L806-E809 PolarHBondContact O-N 2.89Å; L806-L810 HydrophobicContact CG-CD1 4.32Å; L806-L810 WeakPolarHBondContact O-CD1 3.4Å; L806-L810 PolarHBondContact O-N 3.18Å
807D39.2Very low50.2Low57 Ų5798.9 Ų98.931%0.30553%0.528SS..Hα-helixtrans-64.1-32.2169-62.7-80.3000111.2I803 T804 Q811I803-D807 HydrophobicContact CB-CB 4.2Å; I803-D807 HydrophobicContact CG2-CB 3.76Å; T804-D807 VanDerWaalsContact CB-OD2 3.27Å; T804-D807 WeakPolarHBondContact CB-OD2 3.48Å; T804-D807 WeakPolarHBondContact CG2-OD2 3.38Å; T804-D807 PolarHBondContact N-OD2 3.47Å; T804-D807 PolarHBondContact O-N 3.48Å; T804-D807 VanDerWaalsContact O-N 3.08Å; T804-D807 PolarHBondContact OG1-N 3.03Å; T804-D807 VanDerWaalsContact OG1-N 3.12Å; T804-D807 PolarHBondContact OG1-OD2 3.3Å; D807-Q811 WeakPolarHBondContact O-CB 3.33Å; D807-Q811 VanDerWaalsContact O-CG 3.28Å; D807-Q811 WeakPolarHBondContact O-CG 3.49Å; D807-Q811 PolarHBondContact O-N 2.91Å
808L46.7Very low52.7Low69 Ų6993.4 Ų93.436%0.36151%0.506SS..Hα-helixtrans-66.8-42.8173.7-156.678.1000109.7I803 T804 P805 L806 Q811 L812 R885I803-L808 HydrophobicContact CG2-CB 3.96Å; I803-L808 HydrophobicContact CG2-CD1 3.8Å; T804-L808 PolarHBondContact O-N 2.94Å; P805-L808 WeakPolarHBondContact O-CB 3.25Å; P805-L808 PolarHBondContact O-N 3.27Å; L806-L808 PolarHBondContact O-N 2.93Å; L808-Q811 CarbonylContact O-C 3.54Å; L808-Q811 WeakPolarHBondContact O-CA 3.36Å; L808-Q811 WeakPolarHBondContact O-CB 3.25Å; L808-Q811 PolarHBondContact O-N 3.2Å; L808-Q811 VanDerWaalsContact O-N 3.13Å; L808-L812 PolarHBondContact O-N 2.71Å; L808-R885 VanDerWaalsContact C-NH2 3.27Å; L808-R885 PolarHBondContact O-NH1 3.18Å; L808-R885 PolarHBondContact O-NH2 3.04Å
809E50.4Low55Low118 Ų11888.7 Ų88.755%0.55147%0.473SS*.Hα-helixtrans-63.9-44.2175.3-160.2154.1-127.300112.1P805 L806 Q811 L812 Q813P805-E809 PolarHBondContact O-N 3.47Å; L806-E809 PolarHBondContact O-N 2.89Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.32Å; E809-L812 WeakPolarHBondContact O-CB 3.25Å; E809-L812 PolarHBondContact O-N 2.93Å; E809-Q813 PolarHBondContact O-N 2.59Å; E809-Q813 VanDerWaalsContact O-N 3.1Å
810L52.3Low57.5Low98 Ų9889.2 Ų89.251%0.51347%0.47SS..Hα-helixtrans-57.2-37.9167.5-97.981.4000112.3L806 L812 Q813 S814L806-L810 HydrophobicContact CG-CD1 4.32Å; L806-L810 WeakPolarHBondContact O-CD1 3.4Å; L806-L810 PolarHBondContact O-N 3.18Å; L810-L812 VanDerWaalsContact C-N 3.26Å; L810-L812 PolarHBondContact O-N 3Å; L810-Q813 PolarHBondContact O-N 2.69Å; L810-S814 WeakPolarHBondContact O-CB 3.18Å; L810-S814 PolarHBondContact O-N 2.74Å
811Q54.6Low60.3Low81 Ų8185 Ų8538%0.37945%0.451SS..Hα-helixtrans-68.5-21.6174.4-81.5178.4-13.500113.2I803 D807 L808 E809 V815I803-Q811 VanDerWaalsContact CD1-NE2 3.3Å; D807-Q811 WeakPolarHBondContact O-CB 3.33Å; D807-Q811 VanDerWaalsContact O-CG 3.28Å; D807-Q811 WeakPolarHBondContact O-CG 3.49Å; D807-Q811 PolarHBondContact O-N 2.91Å; L808-Q811 CarbonylContact O-C 3.54Å; L808-Q811 WeakPolarHBondContact O-CA 3.36Å; L808-Q811 WeakPolarHBondContact O-CB 3.25Å; L808-Q811 PolarHBondContact O-N 3.2Å; L808-Q811 VanDerWaalsContact O-N 3.13Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.32Å; Q811-V815 VanDerWaalsContact O-CB 3.32Å; Q811-V815 WeakPolarHBondContact O-CB 3.48Å; Q811-V815 WeakPolarHBondContact O-CG2 3.32Å; Q811-V815 PolarHBondContact O-N 3.18Å
812L59.6Low62.5Low58 Ų5877.7 Ų77.730%0.30442%0.419SS..Hα-helixtrans-76.5-50.2171.3-155148.2000109.6L808 E809 L810 S814 V815 T816L808-L812 PolarHBondContact O-N 2.71Å; E809-L812 WeakPolarHBondContact O-CB 3.25Å; E809-L812 PolarHBondContact O-N 2.93Å; L810-L812 VanDerWaalsContact C-N 3.26Å; L810-L812 PolarHBondContact O-N 3Å; L812-S814 VanDerWaalsContact C-N 3.33Å; L812-S814 PolarHBondContact O-N 3.11Å; L812-V815 PolarHBondContact O-N 3.37Å; L812-T816 HydrophobicContact CD2-CG2 4.03Å; L812-T816 PolarHBondContact O-N 3Å; L812-T816 PolarHBondContact O-OG1 3.5Å; L812-T816 VanDerWaalsContact O-OG1 3.13Å
813Q64.2Low65Low107 Ų10773.9 Ų73.950%0.540%0.402SS..Hα-helixtrans-54.6-49.3175.9-69.2178.6-14.800111.1E809 L810 V815 T816 E817E809-Q813 PolarHBondContact O-N 2.59Å; E809-Q813 VanDerWaalsContact O-N 3.1Å; L810-Q813 PolarHBondContact O-N 2.69Å; Q813-V815 VanDerWaalsContact C-N 3.31Å; Q813-V815 PolarHBondContact O-N 3.39Å; Q813-T816 WeakPolarHBondContact CA-OG1 3.41Å; Q813-T816 PolarHBondContact O-N 3.44Å; Q813-T816 PolarHBondContact O-OG1 2.97Å; Q813-E817 WeakPolarHBondContact O-CB 3.34Å; Q813-E817 VanDerWaalsContact O-CG 3.27Å; Q813-E817 WeakPolarHBondContact O-CG 3.49Å; Q813-E817 PolarHBondContact O-N 3.04Å
814S76.3Confident67.5Low63 Ų6372.5 Ų72.544%0.44140%0.403SS..Hα-helixtrans-62.6-31.1176.4179.80000113.9L810 L812 E818L810-S814 WeakPolarHBondContact O-CB 3.18Å; L810-S814 PolarHBondContact O-N 2.74Å; L812-S814 VanDerWaalsContact C-N 3.33Å; L812-S814 PolarHBondContact O-N 3.11Å; S814-E818 VanDerWaalsContact O-CB 3.31Å; S814-E818 WeakPolarHBondContact O-CB 3.15Å; S814-E818 PolarHBondContact O-N 2.75Å
815V76.8Confident70.3Confident30 Ų3072.9 Ų72.918%0.18240%0.399CS..Hα-helixtrans-75.8-39.9175.2161.60000111Q811 L812 Q813 E818 M819 L878Q811-V815 VanDerWaalsContact O-CB 3.32Å; Q811-V815 WeakPolarHBondContact O-CB 3.48Å; Q811-V815 WeakPolarHBondContact O-CG2 3.32Å; Q811-V815 PolarHBondContact O-N 3.18Å; L812-V815 PolarHBondContact O-N 3.37Å; Q813-V815 VanDerWaalsContact C-N 3.31Å; Q813-V815 PolarHBondContact O-N 3.39Å; V815-E818 PolarHBondContact O-N 2.63Å; V815-M819 WeakPolarHBondContact O-CB 3.41Å; V815-M819 PolarHBondContact O-N 2.92Å; V815-L878 HydrophobicContact CG1-CB 4.41Å; V815-L878 HydrophobicContact CG1-CD2 4.17Å; V815-L878 HydrophobicContact CG2-CD2 4.1Å
816T77.2Confident72.6Confident39 Ų3968.1 Ų68.124%0.23937%0.367CS..Hα-helixtrans-67.8-38.517448.70000112.2L812 Q813 M819 D820L812-T816 HydrophobicContact CD2-CG2 4.03Å; L812-T816 PolarHBondContact O-N 3Å; L812-T816 PolarHBondContact O-OG1 3.5Å; L812-T816 VanDerWaalsContact O-OG1 3.13Å; Q813-T816 WeakPolarHBondContact CA-OG1 3.41Å; Q813-T816 PolarHBondContact O-N 3.44Å; Q813-T816 PolarHBondContact O-OG1 2.97Å; T816-M819 WeakPolarHBondContact O-CB 3.16Å; T816-M819 PolarHBondContact O-N 2.87Å; T816-D820 PolarHBondContact O-N 3.32Å
817E85.3Confident75.1Confident129 Ų12969.5 Ų69.560%0.60337%0.368SS*.Hα-helixtrans-65.2-40.9173.3-74.5171.5-170.700111.6Q813 M819 A821Q813-E817 WeakPolarHBondContact O-CB 3.34Å; Q813-E817 VanDerWaalsContact O-CG 3.27Å; Q813-E817 WeakPolarHBondContact O-CG 3.49Å; Q813-E817 PolarHBondContact O-N 3.04Å; E817-M819 VanDerWaalsContact C-N 3.35Å; E817-A821 VanDerWaalsContact O-CB 3.27Å; E817-A821 WeakPolarHBondContact O-CB 3.44Å; E817-A821 PolarHBondContact O-N 3.27Å
818E86.8Confident77.7Confident63 Ų6371.5 Ų71.529%0.29438%0.376SS..Hα-helixtrans-65.3-39.4173.1-165.8-178.416900111S814 V815 A821 L822 R874 L878S814-E818 VanDerWaalsContact O-CB 3.31Å; S814-E818 WeakPolarHBondContact O-CB 3.15Å; S814-E818 PolarHBondContact O-N 2.75Å; V815-E818 PolarHBondContact O-N 2.63Å; E818-A821 PolarHBondContact O-N 2.6Å; E818-L822 HydrophobicContact CG-CD1 4.15Å; E818-L822 HydrophobicContact CG-CG 4.44Å; E818-L822 WeakPolarHBondContact O-CB 3.49Å; E818-L822 WeakPolarHBondContact O-CD1 3.29Å; E818-L822 WeakPolarHBondContact O-CG 3.41Å; E818-L822 PolarHBondContact O-N 2.86Å; E818-R874 IonicContact OE1-CZ 2.69Å; E818-R874 VanDerWaalsContact OE1-CZ 3.25Å; E818-R874 IonicContact OE1-NE 2.71Å; E818-R874 PolarHBondContact OE1-NE 2.78Å; E818-R874 IonicContact OE1-NH2 3.63Å; E818-R874 PolarHBondContact OE1-NH2 3.07Å; E818-R874 IonicContact OE2-CZ 2.82Å; E818-R874 IonicContact OE2-NE 3.23Å; E818-R874 IonicContact OE2-NH2 2.86Å; E818-R874 PolarHBondContact OE2-NH2 3.23Å; E818-L878 HydrophobicContact CB-CD1 4.01Å; E818-L878 HydrophobicContact CG-CD1 3.82Å
819M85.4Confident79.8Confident23 Ų2368.3 Ų68.311%0.11336%0.359CS..Hα-helixtrans-59.7-52.1175.3-162.474.575.200111.9V815 T816 E817 A821 L822 V823 E875 L878V815-M819 WeakPolarHBondContact O-CB 3.41Å; V815-M819 PolarHBondContact O-N 2.92Å; T816-M819 WeakPolarHBondContact O-CB 3.16Å; T816-M819 PolarHBondContact O-N 2.87Å; E817-M819 VanDerWaalsContact C-N 3.35Å; M819-A821 VanDerWaalsContact C-N 3.3Å; M819-A821 PolarHBondContact O-N 2.76Å; M819-L822 PolarHBondContact O-N 2.86Å; M819-V823 WeakPolarHBondContact O-CG2 3.4Å; M819-V823 PolarHBondContact O-N 2.82Å; M819-E875 HydrophobicContact SD-CB 4.32Å; M819-E875 HydrophobicContact SD-CG 3.76Å; M819-L878 HydrophobicContact CE-CB 3.59Å; M819-L878 HydrophobicContact SD-CB 4.33Å
820D89.1Confident81.6Confident121 Ų12166 Ų6665%0.64735%0.351SS*.Hα-helixtrans-61.7-38.4178-85.6-23.5000111.6T816 V823 A824T816-D820 PolarHBondContact O-N 3.32Å; D820-V823 PolarHBondContact O-N 3.24Å; D820-A824 VanDerWaalsContact O-CB 3.3Å; D820-A824 WeakPolarHBondContact O-CB 3.31Å; D820-A824 PolarHBondContact O-N 3.27Å
821A91.1Very high83.6Confident60 Ų6067.5 Ų67.550%0.49636%0.355SS..Hα-helixtrans-65.5-39.4174.800000112.6E817 E818 M819 A824 K825E817-A821 VanDerWaalsContact O-CB 3.27Å; E817-A821 WeakPolarHBondContact O-CB 3.44Å; E817-A821 PolarHBondContact O-N 3.27Å; E818-A821 PolarHBondContact O-N 2.6Å; M819-A821 VanDerWaalsContact C-N 3.3Å; M819-A821 PolarHBondContact O-N 2.76Å; A821-A824 PolarHBondContact O-N 3.3Å; A821-K825 WeakPolarHBondContact O-CB 3.24Å; A821-K825 PolarHBondContact O-N 2.89Å
822L88.1Confident85.5Confident16 Ų1667.5 Ų67.58%0.08435%0.354CS..Hα-helixtrans-66.7-41.9174.8-70165.1000111.6E818 M819 K825 Q826 L871 R874 L878E818-L822 HydrophobicContact CG-CD1 4.15Å; E818-L822 HydrophobicContact CG-CG 4.44Å; E818-L822 WeakPolarHBondContact O-CB 3.49Å; E818-L822 WeakPolarHBondContact O-CD1 3.29Å; E818-L822 WeakPolarHBondContact O-CG 3.41Å; E818-L822 PolarHBondContact O-N 2.86Å; M819-L822 PolarHBondContact O-N 2.86Å; L822-K825 PolarHBondContact O-N 3.32Å; L822-Q826 WeakPolarHBondContact O-CB 3.4Å; L822-Q826 WeakPolarHBondContact O-CG 3.44Å; L822-Q826 PolarHBondContact O-N 2.92Å; L822-L871 HydrophobicContact CD2-CB 4.13Å; L822-L871 HydrophobicContact CD2-CD2 3.78Å; L822-L871 HydrophobicContact CD2-CG 4.44Å; L822-R874 HydrophobicContact CD1-CB 4.06Å; L822-R874 HydrophobicContact CD1-CG 3.58Å; L822-R874 HydrophobicContact CD2-CB 4.23Å; L822-R874 HydrophobicContact CD2-CG 4.1Å; L822-R874 HydrophobicContact CG-CG 4.49Å; L822-L878 HydrophobicContact CD1-CD1 3.59Å
823V88.6Confident87Confident40 Ų4065.5 Ų65.524%0.24235%0.345CS..Hα-helixtrans-65.8-40.5175.9170.20000111.2M819 D820 K827 E875M819-V823 WeakPolarHBondContact O-CG2 3.4Å; M819-V823 PolarHBondContact O-N 2.82Å; D820-V823 PolarHBondContact O-N 3.24Å; V823-K827 HydrophobicContact CG1-CD 4.42Å; V823-K827 WeakPolarHBondContact O-CG 3.2Å; V823-K827 PolarHBondContact O-N 2.83Å; V823-E875 WeakPolarHBondContact CG2-OE1 3.39Å
824A92.5Very high88.2Confident58 Ų5864.4 Ų64.448%0.47934%0.342SS..Hα-helixtrans-63.2-45.217400000111.6D820 A821 K827 E828D820-A824 VanDerWaalsContact O-CB 3.3Å; D820-A824 WeakPolarHBondContact O-CB 3.31Å; D820-A824 PolarHBondContact O-N 3.27Å; A821-A824 PolarHBondContact O-N 3.3Å; A824-K827 PolarHBondContact O-N 2.76Å; A824-E828 PolarHBondContact O-N 2.96Å; A824-E828 VanDerWaalsContact O-N 3.08Å
825K92.3Very high89.1Confident77 Ų7765.1 Ų65.134%0.33534%0.338SS..Hα-helixtrans-71.2-32.6179.4-167.9-177.4172.7-174.70113A821 L822 E828 L829 E867 L871A821-K825 WeakPolarHBondContact O-CB 3.24Å; A821-K825 PolarHBondContact O-N 2.89Å; L822-K825 PolarHBondContact O-N 3.32Å; K825-E828 WeakPolarHBondContact O-CB 2.94Å; K825-E828 PolarHBondContact O-N 2.67Å; K825-L829 WeakPolarHBondContact O-CG 3.4Å; K825-L829 PolarHBondContact O-N 3.41Å; K825-E867 WeakPolarHBondContact CE-OE1 3.45Å; K825-E867 IonicContact NZ-OE1 3.38Å; K825-E867 PolarHBondContact NZ-OE1 2.87Å; K825-L871 HydrophobicContact CB-CD1 3.79Å; K825-L871 HydrophobicContact CD-CD1 3.79Å; K825-L871 HydrophobicContact CD-CD2 4.18Å; K825-L871 HydrophobicContact CG-CD1 3.67Å
826Q89.1Confident89.8Confident13 Ų1364.7 Ų64.76%0.06134%0.336CS..Hα-helixtrans-58.9-49.2169.9-80.5-172.487.600110.7L822 E828 L829 D830 R868 L871 T872 E875L822-Q826 WeakPolarHBondContact O-CB 3.4Å; L822-Q826 WeakPolarHBondContact O-CG 3.44Å; L822-Q826 PolarHBondContact O-N 2.92Å; Q826-E828 VanDerWaalsContact C-N 3.26Å; Q826-E828 PolarHBondContact O-N 3.16Å; Q826-L829 PolarHBondContact O-N 2.97Å; Q826-D830 PolarHBondContact O-N 2.87Å; Q826-R868 HydrophobicContact CG-CG 4.39Å; Q826-L871 HydrophobicContact CG-CB 3.77Å; Q826-L871 HydrophobicContact CG-CD1 3.89Å; Q826-L871 HydrophobicContact CG-CG 4.47Å; Q826-T872 PolarHBondContact OE1-OG1 3.42Å; Q826-E875 PolarHBondContact NE2-OE1 3.35Å; Q826-E875 PolarHBondContact NE2-OE2 2.83Å
827K91.4Very high90.4Very high140 Ų14065.2 Ų65.261%0.60934%0.335SS*.Hα-helixtrans-59-35.5176.1-67.3164.4-175.5169.80112.9V823 A824 H831V823-K827 HydrophobicContact CG1-CD 4.42Å; V823-K827 WeakPolarHBondContact O-CG 3.2Å; V823-K827 PolarHBondContact O-N 2.83Å; A824-K827 PolarHBondContact O-N 2.76Å; K827-H831 WeakPolarHBondContact O-CB 3.19Å; K827-H831 PolarHBondContact O-N 3.43Å; K827-H831 VanDerWaalsContact O-N 3.11Å
828E93.6Very high90.7Very high98 Ų9863.8 Ų63.846%0.45833%0.327SS..Hα-helixtrans-66.2-43.5174.3-163.8-161.5157.400112.1A824 K825 Q826 K832A824-E828 PolarHBondContact O-N 2.96Å; A824-E828 VanDerWaalsContact O-N 3.08Å; K825-E828 WeakPolarHBondContact O-CB 2.94Å; K825-E828 PolarHBondContact O-N 2.67Å; Q826-E828 VanDerWaalsContact C-N 3.26Å; Q826-E828 PolarHBondContact O-N 3.16Å; E828-K832 WeakPolarHBondContact O-CG 3.31Å; E828-K832 PolarHBondContact O-N 3.41Å; E828-K832 VanDerWaalsContact O-N 3.08Å; E828-K832 WeakPolarHBondContact OE1-CE 3.37Å; E828-K832 IonicContact OE1-NZ 3.54Å; E828-K832 PolarHBondContact OE1-NZ 3.46Å
829L90.7Very high90.9Very high2 Ų265 Ų651%0.0133%0.333CS..Hα-helixtrans-69.4-40.4177.5-68.1174.9000112.3K825 Q826 H831 K832 A833 L864 E867 R868 L871K825-L829 WeakPolarHBondContact O-CG 3.4Å; K825-L829 PolarHBondContact O-N 3.41Å; Q826-L829 PolarHBondContact O-N 2.97Å; L829-H831 VanDerWaalsContact C-N 3.32Å; L829-H831 PolarHBondContact O-N 3.21Å; L829-K832 HydrophobicContact CD2-CD 4.45Å; L829-K832 PolarHBondContact O-N 3.32Å; L829-A833 WeakPolarHBondContact O-CB 3.33Å; L829-A833 PolarHBondContact O-N 3.24Å; L829-L864 HydrophobicContact CD2-CD2 3.65Å; L829-E867 HydrophobicContact CD1-CB 3.94Å; L829-E867 HydrophobicContact CD1-CG 3.75Å; L829-E867 WeakPolarHBondContact CD2-OE2 3.48Å; L829-R868 HydrophobicContact CB-CB 4.34Å; L829-R868 HydrophobicContact CD1-CB 4.16Å; L829-L871 HydrophobicContact CD1-CD1 3.6Å; L829-L871 HydrophobicContact CD1-CG 4.3Å
830D89.2Confident90.9Very high70 Ų7065.5 Ų65.537%0.37433%0.333SS..Hα-helixtrans-60.4-43.3175.1-64.2-29.7000110.5Q826 A833 I834Q826-D830 PolarHBondContact O-N 2.87Å; D830-A833 PolarHBondContact O-N 3.09Å; D830-I834 WeakPolarHBondContact O-CB 3.24Å; D830-I834 WeakPolarHBondContact O-CD1 3.45Å; D830-I834 VanDerWaalsContact O-CG1 3.27Å; D830-I834 WeakPolarHBondContact O-CG1 3.45Å; D830-I834 PolarHBondContact O-N 2.96Å
831H94.1Very high90.8Very high130 Ų13065.3 Ų65.360%0.60232%0.324SS*.Hα-helixtrans-62.9-42.6175.5-172.677.2000112.6K827 L829 E835K827-H831 WeakPolarHBondContact O-CB 3.19Å; K827-H831 PolarHBondContact O-N 3.43Å; K827-H831 VanDerWaalsContact O-N 3.11Å; L829-H831 VanDerWaalsContact C-N 3.32Å; L829-H831 PolarHBondContact O-N 3.21Å; H831-E835 PolarHBondContact O-N 2.72Å
832K94Very high90.7Very high81 Ų8167.9 Ų67.935%0.35232%0.324SS..Hα-helixtrans-64.1-43.4174.3-71.9169.4-173.9169.50111.8E828 L829 I834 E835 V836 L864E828-K832 WeakPolarHBondContact O-CG 3.31Å; E828-K832 PolarHBondContact O-N 3.41Å; E828-K832 VanDerWaalsContact O-N 3.08Å; E828-K832 WeakPolarHBondContact OE1-CE 3.37Å; E828-K832 IonicContact OE1-NZ 3.54Å; E828-K832 PolarHBondContact OE1-NZ 3.46Å; L829-K832 HydrophobicContact CD2-CD 4.45Å; L829-K832 PolarHBondContact O-N 3.32Å; K832-I834 PolarHBondContact O-N 3.35Å; K832-E835 PolarHBondContact O-N 3.4Å; K832-E835 VanDerWaalsContact O-N 3.13Å; K832-V836 WeakPolarHBondContact O-CG2 3.32Å; K832-V836 PolarHBondContact O-N 3.29Å; K832-L864 HydrophobicContact CB-CD1 3.86Å; K832-L864 HydrophobicContact CB-CD2 3.9Å; K832-L864 HydrophobicContact CD-CD2 3.99Å
833A90.6Very high90.6Very high15 Ų1567.7 Ų67.712%0.12432%0.323CS..Hα-helixtrans-61.9-44.3-179.800000110.9L829 D830 E835 V836 E837 Y861 L864L829-A833 WeakPolarHBondContact O-CB 3.33Å; L829-A833 PolarHBondContact O-N 3.24Å; D830-A833 PolarHBondContact O-N 3.09Å; A833-E835 VanDerWaalsContact C-N 3.3Å; A833-E835 PolarHBondContact O-N 3.03Å; A833-V836 PolarHBondContact O-N 3.48Å; A833-E837 VanDerWaalsContact O-CB 3.27Å; A833-E837 WeakPolarHBondContact O-CB 3.42Å; A833-E837 PolarHBondContact O-N 3.03Å; A833-Y861 HydrophobicContact CB-CD2 4.35Å; A833-Y861 HydrophobicContact CB-CE2 4.16Å; A833-L864 HydrophobicContact CB-CB 4.47Å; A833-L864 HydrophobicContact CB-CD1 4.48Å
834I90.9Very high90.1Very high84 Ų8468.6 Ų68.643%0.43133%0.325SS..Hα-helixtrans-59.2-37.9173.7-71.3164.7000111.9D830 K832 K838D830-I834 WeakPolarHBondContact O-CB 3.24Å; D830-I834 WeakPolarHBondContact O-CD1 3.45Å; D830-I834 VanDerWaalsContact O-CG1 3.27Å; D830-I834 WeakPolarHBondContact O-CG1 3.45Å; D830-I834 PolarHBondContact O-N 2.96Å; K832-I834 PolarHBondContact O-N 3.35Å; I834-K838 VanDerWaalsContact O-CG 3.31Å; I834-K838 WeakPolarHBondContact O-CG 3.06Å; I834-K838 PolarHBondContact O-N 3.38Å; I834-K838 VanDerWaalsContact O-N 3.08Å
835E93.7Very high89.6Confident78 Ų7873.5 Ų73.536%0.36434%0.338SS..Hα-helixtrans-75.5-40.9179.3-167.356.8-141.700112.8H831 K832 A833 E837 K838 Q839H831-E835 PolarHBondContact O-N 2.72Å; K832-E835 PolarHBondContact O-N 3.4Å; K832-E835 VanDerWaalsContact O-N 3.13Å; A833-E835 VanDerWaalsContact C-N 3.3Å; A833-E835 PolarHBondContact O-N 3.03Å; E835-E837 VanDerWaalsContact C-N 3.3Å; E835-E837 PolarHBondContact O-N 2.84Å; E835-K838 PolarHBondContact O-N 3.12Å; E835-K838 WeakPolarHBondContact OE2-CD 3.4Å; E835-K838 IonicContact OE2-NZ 2.63Å; E835-K838 PolarHBondContact OE2-NZ 3.45Å; E835-Q839 WeakPolarHBondContact O-CG 3.4Å; E835-Q839 PolarHBondContact O-N 3.23Å; E835-Q839 VanDerWaalsContact O-N 3.14Å
836V92.2Very high88.9Confident21 Ų2176.1 Ų76.113%0.12735%0.352CS..Hα-helixtrans-61.4-40.4170.9173.70000110.6K832 A833 Q839 W840 L857 D860 L864K832-V836 WeakPolarHBondContact O-CG2 3.32Å; K832-V836 PolarHBondContact O-N 3.29Å; A833-V836 PolarHBondContact O-N 3.48Å; V836-Q839 PolarHBondContact O-N 3.08Å; V836-W840 WeakPolarHBondContact O-CB 3.29Å; V836-W840 PolarHBondContact O-N 2.92Å; V836-L857 HydrophobicContact CG1-CB 4.36Å; V836-L857 HydrophobicContact CG1-CD2 3.99Å; V836-L857 VanDerWaalsContact CG1-O 3.32Å; V836-L857 WeakPolarHBondContact CG1-O 3.42Å; V836-D860 HydrophobicContact CG1-CB 4.22Å; V836-L864 HydrophobicContact CB-CD1 4.41Å; V836-L864 HydrophobicContact CG2-CD1 3.82Å
837E90Very high87.4Confident50 Ų5078 Ų7823%0.23438%0.375CS..Hα-helixtrans-63.7-43.6177.5-160.6-154.2162.200112.2A833 E835 Q839 W840 R841 Y861A833-E837 VanDerWaalsContact O-CB 3.27Å; A833-E837 WeakPolarHBondContact O-CB 3.42Å; A833-E837 PolarHBondContact O-N 3.03Å; E835-E837 VanDerWaalsContact C-N 3.3Å; E835-E837 PolarHBondContact O-N 2.84Å; E837-Q839 VanDerWaalsContact C-N 3.3Å; E837-Q839 PolarHBondContact O-N 3.4Å; E837-W840 PolarHBondContact O-N 3.47Å; E837-R841 WeakPolarHBondContact O-CB 3.01Å; E837-R841 VanDerWaalsContact O-CG 3.28Å; E837-R841 WeakPolarHBondContact O-CG 3.5Å; E837-R841 PolarHBondContact O-N 3.24Å; E837-R841 IonicContact OE1-CZ 2.62Å; E837-R841 IonicContact OE1-NE 2.63Å; E837-R841 PolarHBondContact OE1-NE 2.93Å; E837-R841 IonicContact OE1-NH2 2.61Å; E837-R841 PolarHBondContact OE1-NH2 3.47Å; E837-R841 IonicContact OE2-NH2 3.87Å; E837-Y861 HydrophobicContact CB-CD2 4.34Å; E837-Y861 HydrophobicContact CB-CE2 4.14Å; E837-Y861 HydrophobicContact CG-CE2 4.33Å
838K91.7Very high86Confident100 Ų10078.1 Ų78.144%0.43538%0.379SS..Hα-helixtrans-57.4-43.5172.6-70.8165.9-161.7146.30111.8I834 E835 K842I834-K838 VanDerWaalsContact O-CG 3.31Å; I834-K838 WeakPolarHBondContact O-CG 3.06Å; I834-K838 PolarHBondContact O-N 3.38Å; I834-K838 VanDerWaalsContact O-N 3.08Å; E835-K838 PolarHBondContact O-N 3.12Å; E835-K838 WeakPolarHBondContact OE2-CD 3.4Å; E835-K838 IonicContact OE2-NZ 2.63Å; E835-K838 PolarHBondContact OE2-NZ 3.45Å; K838-K842 WeakPolarHBondContact O-CB 3.38Å; K838-K842 PolarHBondContact O-N 3.37Å
839Q90.1Very high84.5Confident88 Ų8878.8 Ų78.841%0.41139%0.392SS..Hα-helixtrans-65.7-40.4178.5-68174.731.800111E835 V836 E837 K842 V843 L857E835-Q839 WeakPolarHBondContact O-CG 3.4Å; E835-Q839 PolarHBondContact O-N 3.23Å; E835-Q839 VanDerWaalsContact O-N 3.14Å; V836-Q839 PolarHBondContact O-N 3.08Å; E837-Q839 VanDerWaalsContact C-N 3.3Å; E837-Q839 PolarHBondContact O-N 3.4Å; Q839-K842 WeakPolarHBondContact O-CB 3.3Å; Q839-K842 PolarHBondContact O-N 3.01Å; Q839-V843 WeakPolarHBondContact O-CG2 3.24Å; Q839-V843 PolarHBondContact O-N 2.87Å; Q839-L857 HydrophobicContact CB-CD1 4.1Å; Q839-L857 HydrophobicContact CB-CD2 3.93Å
840W86.9Confident83.4Confident33 Ų3381 Ų8113%0.12542%0.415CS..Hα-helixtrans-66.3-47.2177.3-168.919.4000112P547 V836 E837 K842 V843 M844 E854 L857 M858 Y861P547-W840 HydrophobicContact CB-CH2 4.48Å; V836-W840 WeakPolarHBondContact O-CB 3.29Å; V836-W840 PolarHBondContact O-N 2.92Å; E837-W840 PolarHBondContact O-N 3.47Å; W840-K842 PolarHBondContact O-N 2.91Å; W840-V843 PolarHBondContact O-N 2.92Å; W840-M844 HydrophobicContact CD2-CE 4.46Å; W840-M844 HydrophobicContact CZ2-CE 3.85Å; W840-M844 PolarHBondContact O-N 3.17Å; W840-E854 VanDerWaalsContact NE1-CG 3.25Å; W840-L857 HydrophobicContact CB-CB 4.1Å; W840-L857 HydrophobicContact CB-CD1 4.45Å; W840-L857 HydrophobicContact CG-CB 4.26Å; W840-M858 HydrophobicContact CH2-CB 4.36Å; W840-M858 HydrophobicContact CH2-CG 3.89Å; W840-M858 HydrophobicContact CZ2-CB 3.91Å; W840-M858 HydrophobicContact CZ2-CE 4.06Å; W840-M858 HydrophobicContact CZ2-CG 3.73Å; W840-Y861 HydrophobicContact CZ3-CD1 4.18Å; W840-Y861 HydrophobicContact CZ3-CG 4.44Å
841R86.1Confident83Confident118 Ų11879 Ų7945%0.44541%0.406SS..Hα-helixtrans-54.2-41171.3-71.5174.8-176.5-153.67.9111.3E837 Q845E837-R841 WeakPolarHBondContact O-CB 3.01Å; E837-R841 VanDerWaalsContact O-CG 3.28Å; E837-R841 WeakPolarHBondContact O-CG 3.5Å; E837-R841 PolarHBondContact O-N 3.24Å; E837-R841 IonicContact OE1-CZ 2.62Å; E837-R841 IonicContact OE1-NE 2.63Å; E837-R841 PolarHBondContact OE1-NE 2.93Å; E837-R841 IonicContact OE1-NH2 2.61Å; E837-R841 PolarHBondContact OE1-NH2 3.47Å; E837-R841 IonicContact OE2-NH2 3.87Å; R841-Q845 VanDerWaalsContact O-CG 3.26Å; R841-Q845 WeakPolarHBondContact O-CG 3.27Å; R841-Q845 PolarHBondContact O-N 2.98Å; R841-Q845 VanDerWaalsContact O-N 3.08Å
842K88.5Confident82.5Confident114 Ų11481 Ų8150%0.49642%0.416SS..Hα-helixtrans-66.3-47.6176.6-176.6-176.2169.6-171.30112.2K838 Q839 W840 M844 Q845 E846K838-K842 WeakPolarHBondContact O-CB 3.38Å; K838-K842 PolarHBondContact O-N 3.37Å; Q839-K842 WeakPolarHBondContact O-CB 3.3Å; Q839-K842 PolarHBondContact O-N 3.01Å; W840-K842 PolarHBondContact O-N 2.91Å; K842-M844 VanDerWaalsContact C-N 3.3Å; K842-M844 PolarHBondContact O-N 2.95Å; K842-Q845 PolarHBondContact O-N 2.87Å; K842-Q845 VanDerWaalsContact O-N 3.08Å; K842-E846 WeakPolarHBondContact CE-OE1 3.45Å; K842-E846 WeakPolarHBondContact CE-OE2 3.48Å; K842-E846 HydrophobicContact CG-CG 4.46Å; K842-E846 IonicContact NZ-OE1 2.71Å; K842-E846 WeakPolarHBondContact O-CG 3.42Å; K842-E846 PolarHBondContact O-N 2.82Å
843V86.6Confident82.1Confident11 Ų1183 Ų837%0.06743%0.427CS..Hα-helixtrans-61.2-38.7178.1170.70000111.5Q839 W840 E846 Q853 E854 L857Q839-V843 WeakPolarHBondContact O-CG2 3.24Å; Q839-V843 PolarHBondContact O-N 2.87Å; W840-V843 PolarHBondContact O-N 2.92Å; V843-E846 PolarHBondContact O-N 3.1Å; V843-Q853 HydrophobicContact CG2-CG 4.12Å; V843-E854 HydrophobicContact CG1-CB 3.97Å; V843-L857 HydrophobicContact CB-CD1 4.42Å; V843-L857 HydrophobicContact CG2-CD1 3.82Å
844M78.5Confident81.8Confident60 Ų6083.3 Ų83.330%0.29643%0.426SS..Hα-helixtrans-61.8-42.7171.6-72.3-165.6178.500112.6F548 W840 K842 E846 G847F548-M844 HydrophobicContact CE2-SD 3.85Å; F548-M844 HydrophobicContact CZ-SD 3.83Å; W840-M844 HydrophobicContact CD2-CE 4.46Å; W840-M844 HydrophobicContact CZ2-CE 3.85Å; W840-M844 PolarHBondContact O-N 3.17Å; K842-M844 VanDerWaalsContact C-N 3.3Å; K842-M844 PolarHBondContact O-N 2.95Å; M844-E846 VanDerWaalsContact C-N 3.34Å; M844-E846 PolarHBondContact O-N 3.47Å; M844-G847 PolarHBondContact O-N 3.17Å
845Q81.7Confident81.5Confident160 Ų16084.4 Ų84.475%0.74843%0.429SS*.Hα-helixtrans-68.1-29.9178-72.9170.221.100113.2R841 K842 G847R841-Q845 VanDerWaalsContact O-CG 3.26Å; R841-Q845 WeakPolarHBondContact O-CG 3.27Å; R841-Q845 PolarHBondContact O-N 2.98Å; R841-Q845 VanDerWaalsContact O-N 3.08Å; K842-Q845 PolarHBondContact O-N 2.87Å; K842-Q845 VanDerWaalsContact O-N 3.08Å; Q845-G847 PolarHBondContact O-N 3.48Å
846E77.6Confident81.3Confident132 Ų13285.5 Ų85.562%0.61743%0.434SS*.THydrogen-bonded Turntrans-78.6-1.2178.4-71.3178.8160.500113.4K842 V843 M844K842-E846 WeakPolarHBondContact CE-OE1 3.45Å; K842-E846 WeakPolarHBondContact CE-OE2 3.48Å; K842-E846 HydrophobicContact CG-CG 4.46Å; K842-E846 IonicContact NZ-OE1 2.71Å; K842-E846 WeakPolarHBondContact O-CG 3.42Å; K842-E846 PolarHBondContact O-N 2.82Å; V843-E846 PolarHBondContact O-N 3.1Å; M844-E846 VanDerWaalsContact C-N 3.34Å; M844-E846 PolarHBondContact O-N 3.47Å
847G58.2Low81.2Confident53 Ų5385 Ų8555%0.54643%0.431SS..THydrogen-bonded Turntrans91.517.2151.500000117.6M844 Q845 P849M844-G847 PolarHBondContact O-N 3.17Å; Q845-G847 PolarHBondContact O-N 3.48Å; G847-P849 VanDerWaalsContact C-CD 3.49Å; G847-P849 WeakPolarHBondContact O-CD 3.5Å
848M60.4Low81Confident142 Ų14285.7 Ų85.770%0.744%0.435SS*.  trans-11677.8171.7-71.2-137.3-74.600112.2S851M848-S851 WeakPolarHBondContact O-CB 3.36Å; M848-S851 PolarHBondContact O-N 3.27Å; M848-S851 PolarHBondContact O-OG 3.01Å
849P62.8Low80.8Confident113 Ų11385.3 Ų85.373%0.73444%0.438SS*.THydrogen-bonded Turntrans-64135.5178.327.4-35000111.7G847 E854G847-P849 VanDerWaalsContact C-CD 3.49Å; G847-P849 WeakPolarHBondContact O-CD 3.5Å; P849-E854 WeakPolarHBondContact CA-OE2 3.39Å
850G66.9Low80.8Confident47 Ų4784.1 Ų84.149%0.48543%0.434SS..THydrogen-bonded Turntrans85.38.4-17600000114.7E854 Q855G850-E854 PolarHBondContact N-OE2 3.46Å; G850-Q855 PolarHBondContact O-NE2 2.92Å
851S80.6Confident80.9Confident28 Ų2885.1 Ų85.120%0.19644%0.438CS..  trans-61.3153178.6680000113M848 Q853 E854 Q855M848-S851 WeakPolarHBondContact O-CB 3.36Å; M848-S851 PolarHBondContact O-N 3.27Å; M848-S851 PolarHBondContact O-OG 3.01Å; S851-Q853 PolarHBondContact O-N 3.47Å; S851-E854 WeakPolarHBondContact O-CB 3.2Å; S851-E854 PolarHBondContact O-N 2.82Å; S851-E854 WeakPolarHBondContact OG-CB 3.44Å; S851-E854 PolarHBondContact OG-N 2.98Å; S851-Q855 WeakPolarHBondContact O-CG 3.4Å; S851-Q855 PolarHBondContact O-N 2.99Å
852E84.8Confident80.9Confident172 Ų17281.7 Ų81.780%0.80443%0.428SS*.Hα-helixtrans-56.8-37.7176.1-175175.3-166.700111.8Q855 Q856E852-Q855 PolarHBondContact O-N 3.28Å; E852-Q856 WeakPolarHBondContact O-CB 3.5Å; E852-Q856 PolarHBondContact O-N 3.46Å
853Q85.1Confident80.8Confident124 Ų12479.8 Ų79.858%0.57943%0.429SS*.Hα-helixtrans-66.8-37.5175.4-170.3177.7-0.400112.7V843 S851 L857V843-Q853 HydrophobicContact CG2-CG 4.12Å; S851-Q853 PolarHBondContact O-N 3.47Å; Q853-L857 HydrophobicContact CG-CD1 4.13Å; Q853-L857 WeakPolarHBondContact O-CB 3.37Å; Q853-L857 WeakPolarHBondContact O-CD1 3.46Å; Q853-L857 VanDerWaalsContact O-CG 3.28Å; Q853-L857 WeakPolarHBondContact O-CG 3.44Å; Q853-L857 PolarHBondContact O-N 3.17Å
854E85.1Confident80.9Confident22 Ų2280.4 Ų80.410%0.10343%0.432CS..Hα-helixtrans-65.3-43.1173.7-168.8-167.3156.600111.3W840 V843 P849 G850 S851 L857 M858W840-E854 VanDerWaalsContact NE1-CG 3.25Å; V843-E854 HydrophobicContact CG1-CB 3.97Å; P849-E854 WeakPolarHBondContact CA-OE2 3.39Å; G850-E854 PolarHBondContact N-OE2 3.46Å; S851-E854 WeakPolarHBondContact O-CB 3.2Å; S851-E854 PolarHBondContact O-N 2.82Å; S851-E854 WeakPolarHBondContact OG-CB 3.44Å; S851-E854 PolarHBondContact OG-N 2.98Å; E854-L857 PolarHBondContact O-N 2.73Å; E854-M858 VanDerWaalsContact O-CB 3.3Å; E854-M858 WeakPolarHBondContact O-CB 3.31Å; E854-M858 PolarHBondContact O-N 2.84Å
855Q83.5Confident81.1Confident106 Ų10678.5 Ų78.550%0.49542%0.423SS..Hα-helixtrans-65.3-39.4177.3-65.8179.44900111.7G850 S851 E852 M858 N859G850-Q855 PolarHBondContact O-NE2 2.92Å; S851-Q855 WeakPolarHBondContact O-CG 3.4Å; S851-Q855 PolarHBondContact O-N 2.99Å; E852-Q855 PolarHBondContact O-N 3.28Å; Q855-M858 PolarHBondContact O-N 2.81Å; Q855-N859 WeakPolarHBondContact O-CB 3.32Å; Q855-N859 VanDerWaalsContact O-CG 3.26Å; Q855-N859 PolarHBondContact O-N 2.86Å; Q855-N859 PolarHBondContact O-ND2 2.97Å; Q855-N859 VanDerWaalsContact O-ND2 3.15Å
856Q89.6Confident81.3Confident101 Ų10175.2 Ų75.247%0.47241%0.411SS..Hα-helixtrans-63.6-50.5174.7-175.457.445.200111.5E852 M858 N859 D860E852-Q856 WeakPolarHBondContact O-CB 3.5Å; E852-Q856 PolarHBondContact O-N 3.46Å; Q856-M858 VanDerWaalsContact C-N 3.28Å; Q856-M858 PolarHBondContact O-N 2.97Å; Q856-N859 WeakPolarHBondContact O-CB 3.48Å; Q856-N859 PolarHBondContact O-N 2.97Å; Q856-N859 VanDerWaalsContact O-N 3.08Å; Q856-D860 VanDerWaalsContact NE2-CG 3.26Å; Q856-D860 PolarHBondContact NE2-OD1 3.24Å; Q856-D860 PolarHBondContact NE2-OD2 2.93Å; Q856-D860 VanDerWaalsContact NE2-OD2 3.08Å; Q856-D860 VanDerWaalsContact O-CG 3.29Å; Q856-D860 PolarHBondContact O-N 3.44Å
857L90.5Very high81.8Confident12 Ų1272.3 Ų72.36%0.06340%0.397CS..Hα-helixtrans-61.8-36178.4-70.7166.1000112.3V836 Q839 W840 V843 Q853 E854 Y861V836-L857 HydrophobicContact CG1-CB 4.36Å; V836-L857 HydrophobicContact CG1-CD2 3.99Å; V836-L857 VanDerWaalsContact CG1-O 3.32Å; V836-L857 WeakPolarHBondContact CG1-O 3.42Å; Q839-L857 HydrophobicContact CB-CD1 4.1Å; Q839-L857 HydrophobicContact CB-CD2 3.93Å; W840-L857 HydrophobicContact CB-CB 4.1Å; W840-L857 HydrophobicContact CB-CD1 4.45Å; W840-L857 HydrophobicContact CG-CB 4.26Å; V843-L857 HydrophobicContact CB-CD1 4.42Å; V843-L857 HydrophobicContact CG2-CD1 3.82Å; Q853-L857 HydrophobicContact CG-CD1 4.13Å; Q853-L857 WeakPolarHBondContact O-CB 3.37Å; Q853-L857 WeakPolarHBondContact O-CD1 3.46Å; Q853-L857 VanDerWaalsContact O-CG 3.28Å; Q853-L857 WeakPolarHBondContact O-CG 3.44Å; Q853-L857 PolarHBondContact O-N 3.17Å; E854-L857 PolarHBondContact O-N 2.73Å; L857-Y861 VanDerWaalsContact O-CB 3.31Å; L857-Y861 WeakPolarHBondContact O-CB 3.32Å; L857-Y861 PolarHBondContact O-N 2.75Å
858M85.5Confident83.3Confident63 Ų6371.9 Ų71.931%0.3138%0.379SS..Hα-helixtrans-62.9-46.1172.1-171.7-167.1-45.700111.6W840 E854 Q855 Q856 Y861 L862W840-M858 HydrophobicContact CH2-CB 4.36Å; W840-M858 HydrophobicContact CH2-CG 3.89Å; W840-M858 HydrophobicContact CZ2-CB 3.91Å; W840-M858 HydrophobicContact CZ2-CE 4.06Å; W840-M858 HydrophobicContact CZ2-CG 3.73Å; E854-M858 VanDerWaalsContact O-CB 3.3Å; E854-M858 WeakPolarHBondContact O-CB 3.31Å; E854-M858 PolarHBondContact O-N 2.84Å; Q855-M858 PolarHBondContact O-N 2.81Å; Q856-M858 VanDerWaalsContact C-N 3.28Å; Q856-M858 PolarHBondContact O-N 2.97Å; M858-Y861 PolarHBondContact O-N 2.94Å; M858-L862 HydrophobicContact CG-CD1 4.18Å; M858-L862 WeakPolarHBondContact O-CB 3.43Å; M858-L862 WeakPolarHBondContact O-CG 3.37Å; M858-L862 PolarHBondContact O-N 3.02Å
859N87Confident84.5Confident93 Ų9365.8 Ų65.850%0.49735%0.349SS..Hα-helixtrans-64.7-40.9177.1-73.3-32.8000112.2Q855 Q856 L862 S863Q855-N859 WeakPolarHBondContact O-CB 3.32Å; Q855-N859 VanDerWaalsContact O-CG 3.26Å; Q855-N859 PolarHBondContact O-N 2.86Å; Q855-N859 PolarHBondContact O-ND2 2.97Å; Q855-N859 VanDerWaalsContact O-ND2 3.15Å; Q856-N859 WeakPolarHBondContact O-CB 3.48Å; Q856-N859 PolarHBondContact O-N 2.97Å; Q856-N859 VanDerWaalsContact O-N 3.08Å; N859-L862 PolarHBondContact O-N 2.89Å; N859-S863 WeakPolarHBondContact O-CB 3.19Å; N859-S863 PolarHBondContact O-N 2.8Å
860D90.5Very high85.5Confident62 Ų6265.7 Ų65.733%0.33234%0.34SS..Hα-helixtrans-64.9-44.5177.3-68-30000111.2V836 Q856 S863 L864V836-D860 HydrophobicContact CG1-CB 4.22Å; Q856-D860 VanDerWaalsContact NE2-CG 3.26Å; Q856-D860 PolarHBondContact NE2-OD1 3.24Å; Q856-D860 PolarHBondContact NE2-OD2 2.93Å; Q856-D860 VanDerWaalsContact NE2-OD2 3.08Å; Q856-D860 VanDerWaalsContact O-CG 3.29Å; Q856-D860 PolarHBondContact O-N 3.44Å; D860-S863 WeakPolarHBondContact O-CB 3.11Å; D860-S863 PolarHBondContact O-N 2.89Å; D860-L864 WeakPolarHBondContact O-CG 3.47Å; D860-L864 PolarHBondContact O-N 2.82Å
861Y90Very high86.4Confident54 Ų5464.3 Ų64.321%0.21232%0.322CS..Hα-helixtrans-61.2-45174.6-176.2-95.9000111.9A833 E837 W840 L857 M858 S863 L864 L865A833-Y861 HydrophobicContact CB-CD2 4.35Å; A833-Y861 HydrophobicContact CB-CE2 4.16Å; E837-Y861 HydrophobicContact CB-CD2 4.34Å; E837-Y861 HydrophobicContact CB-CE2 4.14Å; E837-Y861 HydrophobicContact CG-CE2 4.33Å; W840-Y861 HydrophobicContact CZ3-CD1 4.18Å; W840-Y861 HydrophobicContact CZ3-CG 4.44Å; L857-Y861 VanDerWaalsContact O-CB 3.31Å; L857-Y861 WeakPolarHBondContact O-CB 3.32Å; L857-Y861 PolarHBondContact O-N 2.75Å; M858-Y861 PolarHBondContact O-N 2.94Å; Y861-S863 VanDerWaalsContact C-N 3.31Å; Y861-S863 PolarHBondContact O-N 2.87Å; Y861-L864 PolarHBondContact O-N 2.82Å; Y861-L865 HydrophobicContact CE1-CD2 4.07Å; Y861-L865 WeakPolarHBondContact O-CB 3.43Å; Y861-L865 PolarHBondContact O-N 2.91Å
862L85.3Confident86.7Confident46 Ų4663 Ų6324%0.24131%0.312CS..Hα-helixtrans-62.4-37.2174.7-72.1169.5000112L544 M858 N859 N866L544-L862 HydrophobicContact CD2-CD2 3.8Å; L544-L862 HydrophobicContact CG-CD2 4.38Å; M858-L862 HydrophobicContact CG-CD1 4.18Å; M858-L862 WeakPolarHBondContact O-CB 3.43Å; M858-L862 WeakPolarHBondContact O-CG 3.37Å; M858-L862 PolarHBondContact O-N 3.02Å; N859-L862 PolarHBondContact O-N 2.89Å; L862-N866 WeakPolarHBondContact O-CB 3.39Å; L862-N866 PolarHBondContact O-N 3.19Å; L862-N866 PolarHBondContact O-ND2 3.05Å
863S85.8Confident86.8Confident74 Ų7457.1 Ų57.152%0.51728%0.283SS..Hα-helixtrans-66-50.6176.8-1680000111.6N859 D860 Y861 L865 N866 E867N859-S863 WeakPolarHBondContact O-CB 3.19Å; N859-S863 PolarHBondContact O-N 2.8Å; D860-S863 WeakPolarHBondContact O-CB 3.11Å; D860-S863 PolarHBondContact O-N 2.89Å; Y861-S863 VanDerWaalsContact C-N 3.31Å; Y861-S863 PolarHBondContact O-N 2.87Å; S863-L865 VanDerWaalsContact C-N 3.33Å; S863-L865 PolarHBondContact O-N 3.41Å; S863-N866 PolarHBondContact O-N 2.91Å; S863-E867 PolarHBondContact O-N 3.15Å
864L90.4Very high86.9Confident24 Ų2455.6 Ų55.613%0.12627%0.272CS..Hα-helixtrans-58.2-42.8177.4-70167.8000112.1L829 K832 A833 V836 D860 Y861 E867 R868L829-L864 HydrophobicContact CD2-CD2 3.65Å; K832-L864 HydrophobicContact CB-CD1 3.86Å; K832-L864 HydrophobicContact CB-CD2 3.9Å; K832-L864 HydrophobicContact CD-CD2 3.99Å; A833-L864 HydrophobicContact CB-CB 4.47Å; A833-L864 HydrophobicContact CB-CD1 4.48Å; V836-L864 HydrophobicContact CB-CD1 4.41Å; V836-L864 HydrophobicContact CG2-CD1 3.82Å; D860-L864 WeakPolarHBondContact O-CG 3.47Å; D860-L864 PolarHBondContact O-N 2.82Å; Y861-L864 PolarHBondContact O-N 2.82Å; L864-E867 PolarHBondContact O-N 2.96Å; L864-R868 WeakPolarHBondContact O-CB 3.36Å; L864-R868 PolarHBondContact O-N 2.84Å
865L82.8Confident87Confident20 Ų2056.5 Ų56.511%0.10528%0.276CS..Hα-helixtrans-71.2-35.1179.3-17550.9000112.6M539 L544 Y861 S863 N869M539-L865 HydrophobicContact SD-CD2 4.38Å; L544-L865 HydrophobicContact CD1-CD2 3.57Å; L544-L865 HydrophobicContact CD1-CG 4.27Å; L544-L865 HydrophobicContact CD2-CD2 4.31Å; L544-L865 HydrophobicContact CG-CD2 3.75Å; Y861-L865 HydrophobicContact CE1-CD2 4.07Å; Y861-L865 WeakPolarHBondContact O-CB 3.43Å; Y861-L865 PolarHBondContact O-N 2.91Å; S863-L865 VanDerWaalsContact C-N 3.33Å; S863-L865 PolarHBondContact O-N 3.41Å; L865-N869 WeakPolarHBondContact O-CB 3.42Å; L865-N869 PolarHBondContact O-N 3.4Å; L865-N869 PolarHBondContact O-ND2 2.97Å; L865-N869 VanDerWaalsContact O-ND2 3.11Å
866N84.4Confident87.2Confident92 Ų9253.4 Ų53.449%0.49226%0.262SS..Hα-helixtrans-65.4-42.8170.4-77-42.3000111.6L862 S863 N869 M870L862-N866 WeakPolarHBondContact O-CB 3.39Å; L862-N866 PolarHBondContact O-N 3.19Å; L862-N866 PolarHBondContact O-ND2 3.05Å; S863-N866 PolarHBondContact O-N 2.91Å; N866-N869 PolarHBondContact O-N 2.77Å; N866-M870 WeakPolarHBondContact O-CG 3.47Å; N866-M870 PolarHBondContact O-N 2.77Å
867E88.5Confident87.1Confident70 Ų7050.4 Ų50.433%0.32725%0.248SC..Hα-helixtrans-63-46.6176.3-166.3-179.7-178.200110.9K825 L829 S863 L864 N869 M870 L871K825-E867 WeakPolarHBondContact CE-OE1 3.45Å; K825-E867 IonicContact NZ-OE1 3.38Å; K825-E867 PolarHBondContact NZ-OE1 2.87Å; L829-E867 HydrophobicContact CD1-CB 3.94Å; L829-E867 HydrophobicContact CD1-CG 3.75Å; L829-E867 WeakPolarHBondContact CD2-OE2 3.48Å; S863-E867 PolarHBondContact O-N 3.15Å; L864-E867 PolarHBondContact O-N 2.96Å; E867-N869 VanDerWaalsContact C-N 3.34Å; E867-N869 PolarHBondContact O-N 2.75Å; E867-M870 WeakPolarHBondContact O-CB 3.06Å; E867-M870 PolarHBondContact O-N 2.7Å; E867-L871 WeakPolarHBondContact O-CG 3.46Å; E867-L871 PolarHBondContact O-N 2.7Å
868R89.5Confident86.9Confident44 Ų4449.9 Ų49.917%0.16625%0.245CC..Hα-helixtrans-55.9-47.8175.9-175.7-91.3152.9178.2-2.7111.4V537 Q826 L829 L864 M870 L871 T872V537-R868 PolarHBondContact O-NH1 3.28Å; Q826-R868 HydrophobicContact CG-CG 4.39Å; L829-R868 HydrophobicContact CB-CB 4.34Å; L829-R868 HydrophobicContact CD1-CB 4.16Å; L864-R868 WeakPolarHBondContact O-CB 3.36Å; L864-R868 PolarHBondContact O-N 2.84Å; R868-M870 VanDerWaalsContact C-N 3.28Å; R868-M870 PolarHBondContact O-N 3.45Å; R868-L871 WeakPolarHBondContact O-CB 3.07Å; R868-L871 PolarHBondContact O-N 2.88Å; R868-L871 VanDerWaalsContact O-N 3.11Å; R868-T872 PolarHBondContact NE-OG1 2.97Å; R868-T872 VanDerWaalsContact NE-OG1 3.13Å; R868-T872 PolarHBondContact NH2-OG1 2.95Å; R868-T872 VanDerWaalsContact NH2-OG1 3.12Å; R868-T872 PolarHBondContact O-N 3.33Å; R868-T872 PolarHBondContact O-OG1 3.26Å
869N85.3Confident87Confident15 Ų1548.4 Ų48.48%0.0824%0.241CC..Hα-helixtrans-63.8-29.7177.4-73-28.3000113.2L538 L865 N866 E867 R873L538-N869 HydrophobicContact CD2-CB 3.87Å; L538-N869 WeakPolarHBondContact CD2-OD1 3.35Å; L865-N869 WeakPolarHBondContact O-CB 3.42Å; L865-N869 PolarHBondContact O-N 3.4Å; L865-N869 PolarHBondContact O-ND2 2.97Å; L865-N869 VanDerWaalsContact O-ND2 3.11Å; N866-N869 PolarHBondContact O-N 2.77Å; E867-N869 VanDerWaalsContact C-N 3.34Å; E867-N869 PolarHBondContact O-N 2.75Å; N869-R873 WeakPolarHBondContact O-CG 3.32Å; N869-R873 PolarHBondContact O-N 3.26Å
870M84.2Confident86.9Confident111 Ų11144.3 Ų44.355%0.54722%0.219SC..Hα-helixtrans-69.4-39.4171.6-74-64.4-66.200112.1N866 E867 R868 R873 R874N866-M870 WeakPolarHBondContact O-CG 3.47Å; N866-M870 PolarHBondContact O-N 2.77Å; E867-M870 WeakPolarHBondContact O-CB 3.06Å; E867-M870 PolarHBondContact O-N 2.7Å; R868-M870 VanDerWaalsContact C-N 3.28Å; R868-M870 PolarHBondContact O-N 3.45Å; M870-R873 PolarHBondContact O-N 3.48Å; M870-R873 PolarHBondContact SD-NH1 3.14Å; M870-R873 VanDerWaalsContact SD-NH1 3.4Å; M870-R874 PolarHBondContact O-N 3.27Å
871L86.6Confident86.7Confident18 Ų1844.6 Ų44.69%0.09422%0.221CC..Hα-helixtrans-63.6-43.5173.6-54-174000111.4L822 K825 Q826 L829 E867 R868 R873 R874 E875L822-L871 HydrophobicContact CD2-CB 4.13Å; L822-L871 HydrophobicContact CD2-CD2 3.78Å; L822-L871 HydrophobicContact CD2-CG 4.44Å; K825-L871 HydrophobicContact CB-CD1 3.79Å; K825-L871 HydrophobicContact CD-CD1 3.79Å; K825-L871 HydrophobicContact CD-CD2 4.18Å; K825-L871 HydrophobicContact CG-CD1 3.67Å; Q826-L871 HydrophobicContact CG-CB 3.77Å; Q826-L871 HydrophobicContact CG-CD1 3.89Å; Q826-L871 HydrophobicContact CG-CG 4.47Å; L829-L871 HydrophobicContact CD1-CD1 3.6Å; L829-L871 HydrophobicContact CD1-CG 4.3Å; E867-L871 WeakPolarHBondContact O-CG 3.46Å; E867-L871 PolarHBondContact O-N 2.7Å; R868-L871 WeakPolarHBondContact O-CB 3.07Å; R868-L871 PolarHBondContact O-N 2.88Å; R868-L871 VanDerWaalsContact O-N 3.11Å; L871-R873 VanDerWaalsContact C-N 3.3Å; L871-R873 PolarHBondContact O-N 2.94Å; L871-R874 WeakPolarHBondContact O-CB 3.43Å; L871-R874 PolarHBondContact O-N 3.04Å; L871-E875 WeakPolarHBondContact O-CB 3.28Å; L871-E875 PolarHBondContact O-N 2.93Å
872T86.1Confident86.4Confident0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-59.8-36.7177.7-50.40000113.1P536 L538 Q826 R868 M876P536-T872 HydrophobicContact CB-CG2 3.55Å; P536-T872 HydrophobicContact CG-CG2 3.41Å; P536-T872 VanDerWaalsContact CG-CG2 3.41Å; L538-T872 HydrophobicContact CD2-CG2 3.88Å; L538-T872 HydrophobicContact CG-CG2 4.38Å; Q826-T872 PolarHBondContact OE1-OG1 3.42Å; R868-T872 PolarHBondContact NE-OG1 2.97Å; R868-T872 VanDerWaalsContact NE-OG1 3.13Å; R868-T872 PolarHBondContact NH2-OG1 2.95Å; R868-T872 VanDerWaalsContact NH2-OG1 3.12Å; R868-T872 PolarHBondContact O-N 3.33Å; R868-T872 PolarHBondContact O-OG1 3.26Å; T872-M876 WeakPolarHBondContact O-CB 3.05Å; T872-M876 PolarHBondContact O-N 3.24Å
873R87.1Confident86.5Confident49 Ų4942.8 Ų42.819%0.18521%0.214CC..Hα-helixtrans-67.6-39.4172.7-73.1168.6176160.92.2111.9L538 N869 M870 L871 H877 H941 T945 D948L538-R873 HydrophobicContact CD1-CG 4.43Å; N869-R873 WeakPolarHBondContact O-CG 3.32Å; N869-R873 PolarHBondContact O-N 3.26Å; M870-R873 PolarHBondContact O-N 3.48Å; M870-R873 PolarHBondContact SD-NH1 3.14Å; M870-R873 VanDerWaalsContact SD-NH1 3.4Å; L871-R873 VanDerWaalsContact C-N 3.3Å; L871-R873 PolarHBondContact O-N 2.94Å; R873-H877 WeakPolarHBondContact O-CB 3.41Å; R873-H877 PolarHBondContact O-N 3.31Å; R873-H941 PolarHBondContact O-CE1 3.27Å; R873-H941 VanDerWaalsContact O-CE1 3.28Å; R873-H941 PolarHBondContact O-NE2 2.91Å; R873-T945 HydrophobicContact CB-CG2 4.09Å; R873-T945 HydrophobicContact CG-CG2 3.97Å; R873-D948 IonicContact CZ-OD2 3.14Å; R873-D948 IonicContact NH2-OD2 2.66Å; R873-D948 PolarHBondContact NH2-OD2 3.28Å
874R87.8Confident86.5Confident91 Ų9140 Ų4034%0.34319%0.193SC..Hα-helixtrans-66.9-44.6177.2-176.464.1-178.6144.44.9111.5E818 L822 M870 L871 H877 L878E818-R874 IonicContact OE1-CZ 2.69Å; E818-R874 VanDerWaalsContact OE1-CZ 3.25Å; E818-R874 IonicContact OE1-NE 2.71Å; E818-R874 PolarHBondContact OE1-NE 2.78Å; E818-R874 IonicContact OE1-NH2 3.63Å; E818-R874 PolarHBondContact OE1-NH2 3.07Å; E818-R874 IonicContact OE2-CZ 2.82Å; E818-R874 IonicContact OE2-NE 3.23Å; E818-R874 IonicContact OE2-NH2 2.86Å; E818-R874 PolarHBondContact OE2-NH2 3.23Å; L822-R874 HydrophobicContact CD1-CB 4.06Å; L822-R874 HydrophobicContact CD1-CG 3.58Å; L822-R874 HydrophobicContact CD2-CB 4.23Å; L822-R874 HydrophobicContact CD2-CG 4.1Å; L822-R874 HydrophobicContact CG-CG 4.49Å; M870-R874 PolarHBondContact O-N 3.27Å; L871-R874 WeakPolarHBondContact O-CB 3.43Å; L871-R874 PolarHBondContact O-N 3.04Å; R874-H877 PolarHBondContact NH1-CD2 3.12Å; R874-H877 PolarHBondContact O-N 3.39Å; R874-L878 HydrophobicContact CG-CD1 4.31Å; R874-L878 WeakPolarHBondContact O-CB 3.42Å; R874-L878 WeakPolarHBondContact O-CG 3.28Å; R874-L878 PolarHBondContact O-N 3.41Å
875E86.8Confident86.1Confident41 Ų4140.7 Ų40.719%0.19219%0.194CC..Hα-helixtrans-54.8-52173.5177.2-175.8-139.100111.4M819 V823 Q826 L871 H877 L878 S879M819-E875 HydrophobicContact SD-CB 4.32Å; M819-E875 HydrophobicContact SD-CG 3.76Å; V823-E875 WeakPolarHBondContact CG2-OE1 3.39Å; Q826-E875 PolarHBondContact NE2-OE1 3.35Å; Q826-E875 PolarHBondContact NE2-OE2 2.83Å; L871-E875 WeakPolarHBondContact O-CB 3.28Å; L871-E875 PolarHBondContact O-N 2.93Å; E875-H877 PolarHBondContact O-N 3.3Å; E875-L878 PolarHBondContact O-N 3.49Å; E875-S879 WeakPolarHBondContact O-CB 3.45Å; E875-S879 PolarHBondContact O-N 3.36Å
876M86.9Confident86.3Confident41 Ų4142.7 Ų42.720%0.20221%0.209CC..Hα-helixtrans-62.7-41177.9175.2162.335.500113.1T872 S879 L880T872-M876 WeakPolarHBondContact O-CB 3.05Å; T872-M876 PolarHBondContact O-N 3.24Å; M876-S879 PolarHBondContact O-N 3.38Å; M876-L880 HydrophobicContact CG-CD1 4.33Å; M876-L880 WeakPolarHBondContact O-CG 3.44Å; M876-L880 PolarHBondContact O-N 3.14Å; M876-L880 VanDerWaalsContact O-N 3.07Å
877H88Confident86.6Confident38 Ų3840.8 Ų40.818%0.17620%0.196CC..Hα-helixtrans-62.2-45.6174.4177.2100.5000112R873 R874 E875 L880 L881 D942R873-H877 WeakPolarHBondContact O-CB 3.41Å; R873-H877 PolarHBondContact O-N 3.31Å; R874-H877 PolarHBondContact NH1-CD2 3.12Å; R874-H877 PolarHBondContact O-N 3.39Å; E875-H877 PolarHBondContact O-N 3.3Å; H877-L880 PolarHBondContact O-N 3.25Å; H877-L881 WeakPolarHBondContact O-CG 3.24Å; H877-L881 PolarHBondContact O-N 3.43Å; H877-L881 VanDerWaalsContact O-N 3.09Å; H877-D942 IonicContact CE1-OD1 2.8Å; H877-D942 IonicContact CE1-OD2 2.72Å; H877-D942 PolarHBondContact CE1-OD2 2.87Å; H877-D942 VanDerWaalsContact CE1-OD2 3.28Å; H877-D942 IonicContact CG-OD1 2.74Å; H877-D942 IonicContact ND1-OD1 3.82Å; H877-D942 PolarHBondContact ND1-OD1 3.08Å; H877-D942 IonicContact ND1-OD2 3.41Å; H877-D942 PolarHBondContact ND1-OD2 3.2Å
878L86.4Confident86.5Confident2 Ų241.2 Ų41.21%0.0120%0.198CC..Hα-helixtrans-63.1-40.6176.5-73.4176.6000112.1V815 E818 M819 L822 R874 E875 L880 L881 E882V815-L878 HydrophobicContact CG1-CB 4.41Å; V815-L878 HydrophobicContact CG1-CD2 4.17Å; V815-L878 HydrophobicContact CG2-CD2 4.1Å; E818-L878 HydrophobicContact CB-CD1 4.01Å; E818-L878 HydrophobicContact CG-CD1 3.82Å; M819-L878 HydrophobicContact CE-CB 3.59Å; M819-L878 HydrophobicContact SD-CB 4.33Å; L822-L878 HydrophobicContact CD1-CD1 3.59Å; R874-L878 HydrophobicContact CG-CD1 4.31Å; R874-L878 WeakPolarHBondContact O-CB 3.42Å; R874-L878 WeakPolarHBondContact O-CG 3.28Å; R874-L878 PolarHBondContact O-N 3.41Å; E875-L878 PolarHBondContact O-N 3.49Å; L878-L880 VanDerWaalsContact C-N 3.32Å; L878-L880 PolarHBondContact O-N 3.5Å; L878-L881 WeakPolarHBondContact O-CB 3.49Å; L878-L881 PolarHBondContact O-N 3.49Å; L878-L881 VanDerWaalsContact O-N 3.15Å; L878-E882 WeakPolarHBondContact O-CB 3.36Å; L878-E882 PolarHBondContact O-N 3.01Å
879S87.1Confident86.5Confident32 Ų3243.2 Ų43.222%0.22421%0.212CC..Hα-helixtrans-65.8-36179.7-175.90000111.8E875 M876 T883E875-S879 WeakPolarHBondContact O-CB 3.45Å; E875-S879 PolarHBondContact O-N 3.36Å; M876-S879 PolarHBondContact O-N 3.38Å; S879-T883 WeakPolarHBondContact O-CB 3.38Å; S879-T883 WeakPolarHBondContact O-CG2 3.14Å; S879-T883 PolarHBondContact O-N 2.92Å; S879-T883 PolarHBondContact O-OG1 3.44Å
880L86.5Confident86.8Confident6 Ų648.5 Ų48.53%0.03123%0.231CC..Hα-helixtrans-66.5-39.8171.5-73.2167.8000112I533 M876 H877 L878 T883 I884 L934 Q937 L938 H941I533-L880 HydrophobicContact CD1-CD2 4.19Å; M876-L880 HydrophobicContact CG-CD1 4.33Å; M876-L880 WeakPolarHBondContact O-CG 3.44Å; M876-L880 PolarHBondContact O-N 3.14Å; M876-L880 VanDerWaalsContact O-N 3.07Å; H877-L880 PolarHBondContact O-N 3.25Å; L878-L880 VanDerWaalsContact C-N 3.32Å; L878-L880 PolarHBondContact O-N 3.5Å; L880-T883 WeakPolarHBondContact CA-OG1 3.39Å; L880-T883 PolarHBondContact O-OG1 2.96Å; L880-T883 VanDerWaalsContact O-OG1 3.13Å; L880-I884 WeakPolarHBondContact O-CB 3.38Å; L880-I884 WeakPolarHBondContact O-CD1 3.2Å; L880-I884 WeakPolarHBondContact O-CG1 3.15Å; L880-I884 PolarHBondContact O-N 3.32Å; L880-L934 HydrophobicContact CD2-CD2 4.09Å; L880-Q937 HydrophobicContact CD2-CB 4Å; L880-L938 HydrophobicContact CB-CB 4.46Å; L880-L938 HydrophobicContact CB-CD1 4.02Å; L880-L938 HydrophobicContact CD1-CB 4.46Å; L880-L938 HydrophobicContact CD1-CD1 4.31Å; L880-H941 HydrophobicContact CD1-CB 4.15Å
881L85.5Confident87.2Confident69 Ų6945.3 Ų45.336%0.36121%0.214SC..Hα-helixtrans-65.5-44.1174.2-69.5175.5000112.5H877 L878 R885 L938H877-L881 WeakPolarHBondContact O-CG 3.24Å; H877-L881 PolarHBondContact O-N 3.43Å; H877-L881 VanDerWaalsContact O-N 3.09Å; L878-L881 WeakPolarHBondContact O-CB 3.49Å; L878-L881 PolarHBondContact O-N 3.49Å; L878-L881 VanDerWaalsContact O-N 3.15Å; L881-R885 WeakPolarHBondContact O-CB 3.29Å; L881-R885 PolarHBondContact O-N 3.26Å; L881-L938 HydrophobicContact CD2-CD2 3.79Å
882E84.4Confident87.4Confident47 Ų4747.2 Ų47.222%0.2223%0.232CC..Hα-helixtrans-62.8-45.1178.1-173.5-176.8-171.300111.6L878 R885 S886L878-E882 WeakPolarHBondContact O-CB 3.36Å; L878-E882 PolarHBondContact O-N 3.01Å; E882-R885 PolarHBondContact O-N 2.99Å; E882-S886 PolarHBondContact O-N 3.33Å
883T87.2Confident87.8Confident14 Ų1450.1 Ų50.19%0.08626%0.256CS..Hα-helixtrans-67.3-43.817849.70000112.2I533 S879 L880 R885 S886 Y887I533-T883 HydrophobicContact CD1-CG2 4.46Å; S879-T883 WeakPolarHBondContact O-CB 3.38Å; S879-T883 WeakPolarHBondContact O-CG2 3.14Å; S879-T883 PolarHBondContact O-N 2.92Å; S879-T883 PolarHBondContact O-OG1 3.44Å; L880-T883 WeakPolarHBondContact CA-OG1 3.39Å; L880-T883 PolarHBondContact O-OG1 2.96Å; L880-T883 VanDerWaalsContact O-OG1 3.13Å; T883-R885 VanDerWaalsContact C-N 3.25Å; T883-R885 PolarHBondContact O-N 2.89Å; T883-S886 WeakPolarHBondContact O-CB 3.41Å; T883-S886 PolarHBondContact O-N 3.37Å; T883-Y887 VanDerWaalsContact O-CD2 3.28Å; T883-Y887 WeakPolarHBondContact O-CD2 3.46Å; T883-Y887 PolarHBondContact O-N 2.84Å; T883-Y887 VanDerWaalsContact O-N 3.15Å
884I85.6Confident88.1Confident15 Ų1548.1 Ų48.18%0.07725%0.249CC..Hα-helixtrans-53.9-46171.9-72.3165000110.3L880 Y887 E888 L934 V935 L938L880-I884 WeakPolarHBondContact O-CB 3.38Å; L880-I884 WeakPolarHBondContact O-CD1 3.2Å; L880-I884 WeakPolarHBondContact O-CG1 3.15Å; L880-I884 PolarHBondContact O-N 3.32Å; I884-Y887 PolarHBondContact O-N 3.47Å; I884-E888 PolarHBondContact O-N 3.05Å; I884-L934 HydrophobicContact CD1-CB 4.16Å; I884-L934 HydrophobicContact CG1-CB 3.52Å; I884-L934 HydrophobicContact CG1-CD1 4.24Å; I884-V935 HydrophobicContact CD1-CG2 4.01Å; I884-L938 HydrophobicContact CD1-CB 4.38Å; I884-L938 HydrophobicContact CD1-CD2 3.97Å
885R82.5Confident88.3Confident39 Ų3948.2 Ų48.215%0.14725%0.253CS..Hα-helixtrans-68.8-34.6-179.6-177.4174.6168-173.7-6.8113.5L808 L881 E882 T883 Y887 E888 N889L808-R885 VanDerWaalsContact C-NH2 3.27Å; L808-R885 PolarHBondContact O-NH1 3.18Å; L808-R885 PolarHBondContact O-NH2 3.04Å; L881-R885 WeakPolarHBondContact O-CB 3.29Å; L881-R885 PolarHBondContact O-N 3.26Å; E882-R885 PolarHBondContact O-N 2.99Å; T883-R885 VanDerWaalsContact C-N 3.25Å; T883-R885 PolarHBondContact O-N 2.89Å; R885-Y887 VanDerWaalsContact C-N 3.29Å; R885-Y887 PolarHBondContact O-N 3.34Å; R885-E888 WeakPolarHBondContact O-CA 3.26Å; R885-E888 WeakPolarHBondContact O-CB 3.38Å; R885-E888 PolarHBondContact O-N 2.86Å; R885-N889 PolarHBondContact O-N 2.97Å
886S86.6Confident88.6Confident62 Ų6252.3 Ų52.343%0.43427%0.271SS..Hα-helixtrans-58.9-43.3171.9-174.20000111E882 T883 E888 N889 R890E882-S886 PolarHBondContact O-N 3.33Å; T883-S886 WeakPolarHBondContact O-CB 3.41Å; T883-S886 PolarHBondContact O-N 3.37Å; S886-E888 VanDerWaalsContact C-N 3.34Å; S886-E888 PolarHBondContact O-N 3.17Å; S886-N889 PolarHBondContact O-N 2.87Å; S886-R890 PolarHBondContact O-N 3.32Å
887Y89.4Confident88.9Confident52 Ų5253.4 Ų53.420%0.20428%0.275CS..Hα-helixtrans-69-25.7171.8-75.6-75.1000113.7T883 I884 R885 F891 I927 K930 R931 L934T883-Y887 VanDerWaalsContact O-CD2 3.28Å; T883-Y887 WeakPolarHBondContact O-CD2 3.46Å; T883-Y887 PolarHBondContact O-N 2.84Å; T883-Y887 VanDerWaalsContact O-N 3.15Å; I884-Y887 PolarHBondContact O-N 3.47Å; R885-Y887 VanDerWaalsContact C-N 3.29Å; R885-Y887 PolarHBondContact O-N 3.34Å; Y887-F891 WeakPolarHBondContact O-CB 3.42Å; Y887-F891 PolarHBondContact O-N 3.36Å; Y887-I927 HydrophobicContact CD1-CG1 4.28Å; Y887-I927 HydrophobicContact CD1-CG2 4.2Å; Y887-I927 WeakPolarHBondContact O-CG2 3.48Å; Y887-K930 HydrophobicContact CD2-CG 4.32Å; Y887-K930 HydrophobicContact CE1-CB 4.19Å; Y887-K930 HydrophobicContact CE1-CG 3.99Å; Y887-K930 HydrophobicContact CE2-CG 3.71Å; Y887-R931 HydrophobicContact CG-CG 4.41Å; Y887-L934 HydrophobicContact CD2-CD1 3.6Å; Y887-L934 HydrophobicContact CE2-CD1 3.79Å
888E86.5Confident89.1Confident80 Ų8052.5 Ų52.537%0.37427%0.272SS..Hα-helixtrans-69.8-43.4171.2-75177.5164.800112.7I884 R885 S886 R890 F891 A892 R931I884-E888 PolarHBondContact O-N 3.05Å; R885-E888 WeakPolarHBondContact O-CA 3.26Å; R885-E888 WeakPolarHBondContact O-CB 3.38Å; R885-E888 PolarHBondContact O-N 2.86Å; S886-E888 VanDerWaalsContact C-N 3.34Å; S886-E888 PolarHBondContact O-N 3.17Å; E888-R890 VanDerWaalsContact C-N 3.34Å; E888-F891 WeakPolarHBondContact O-CB 3.26Å; E888-F891 PolarHBondContact O-N 2.86Å; E888-A892 PolarHBondContact O-N 3.1Å; E888-R931 VanDerWaalsContact CG-NE 3.31Å; E888-R931 VanDerWaalsContact CG-NH2 3.31Å; E888-R931 IonicContact OE1-CZ 3.83Å; E888-R931 IonicContact OE1-NE 3.18Å; E888-R931 IonicContact OE1-NH2 2.75Å; E888-R931 PolarHBondContact OE1-NH2 3.12Å
889N89.8Confident89.2Confident86 Ų8655.1 Ų55.146%0.4629%0.294SS..Hα-helixtrans-60.7-45173.2-66.5-14.1000110.6R885 S886 A892 A893R885-N889 PolarHBondContact O-N 2.97Å; S886-N889 PolarHBondContact O-N 2.87Å; N889-A892 PolarHBondContact O-N 3.15Å; N889-A893 PolarHBondContact O-N 2.82Å
890R92.8Very high89.4Confident126 Ų12658.4 Ų58.448%0.47531%0.305SS..Hα-helixtrans-65.2-40.6176.8-163.7-179.2176.3153.9-0.1112.3S886 E888 A892 A893 V894 E923 I927S886-R890 PolarHBondContact O-N 3.32Å; E888-R890 VanDerWaalsContact C-N 3.34Å; R890-A892 PolarHBondContact O-N 3.37Å; R890-A893 PolarHBondContact O-N 3.04Å; R890-V894 HydrophobicContact CG-CG2 4.5Å; R890-V894 WeakPolarHBondContact O-CG2 3.43Å; R890-V894 PolarHBondContact O-N 3.45Å; R890-E923 IonicContact CZ-OE1 2.7Å; R890-E923 IonicContact NE-OE1 3.95Å; R890-E923 PolarHBondContact NE-OE1 3.31Å; R890-E923 IonicContact NH2-OE1 3.8Å; R890-E923 PolarHBondContact NH2-OE1 3.18Å; R890-I927 HydrophobicContact CB-CD1 4.23Å; R890-I927 HydrophobicContact CG-CD1 3.69Å; R890-I927 HydrophobicContact CG-CG1 4.47Å
891F92.3Very high89.5Confident44 Ų4459.8 Ų59.819%0.19331%0.313CS..Hα-helixtrans-57.3-47173.8-178.7-95.7000111.4Y887 E888 V894 Q895 L924 I927 V928Y887-F891 WeakPolarHBondContact O-CB 3.42Å; Y887-F891 PolarHBondContact O-N 3.36Å; E888-F891 WeakPolarHBondContact O-CB 3.26Å; E888-F891 PolarHBondContact O-N 2.86Å; F891-V894 PolarHBondContact O-N 2.97Å; F891-Q895 HydrophobicContact CD1-CG 4.42Å; F891-Q895 HydrophobicContact CE1-CG 4.21Å; F891-Q895 HydrophobicContact CZ-CG 4.37Å; F891-Q895 VanDerWaalsContact CZ-NE2 3.35Å; F891-Q895 WeakPolarHBondContact O-CB 3.49Å; F891-Q895 WeakPolarHBondContact O-CG 3.39Å; F891-Q895 PolarHBondContact O-N 3.5Å; F891-L924 HydrophobicContact CD2-CD1 3.48Å; F891-L924 VanDerWaalsContact CD2-CD1 3.48Å; F891-L924 HydrophobicContact CD2-CG 4.5Å; F891-L924 HydrophobicContact CE2-CD1 3.52Å; F891-L924 HydrophobicContact CE2-CG 4.23Å; F891-L924 HydrophobicContact CG-CD1 4.29Å; F891-L924 HydrophobicContact CZ-CD1 4.36Å; F891-I927 HydrophobicContact CB-CG2 3.79Å; F891-I927 HydrophobicContact CD2-CG2 4.09Å; F891-I927 HydrophobicContact CG-CG2 4.45Å; F891-V928 HydrophobicContact CD2-CG2 4.06Å; F891-V928 HydrophobicContact CE2-CG2 3.57Å
892A91.3Very high89.2Confident58 Ų5862.1 Ų62.148%0.47932%0.323SS..Hα-helixtrans-64.6-39.1177.500000112.7E888 N889 R890 K896E888-A892 PolarHBondContact O-N 3.1Å; N889-A892 PolarHBondContact O-N 3.15Å; R890-A892 PolarHBondContact O-N 3.37Å; A892-K896 WeakPolarHBondContact O-CB 3.5Å; A892-K896 PolarHBondContact O-N 2.88Å
893A93.6Very high89.3Confident60 Ų6068.2 Ų68.250%0.49635%0.352SS..Hα-helixtrans-64.4-48.517600000112.4N889 R890 Q895 K896 E897N889-A893 PolarHBondContact O-N 2.82Å; R890-A893 PolarHBondContact O-N 3.04Å; A893-Q895 PolarHBondContact O-N 3.13Å; A893-K896 WeakPolarHBondContact O-CB 3.48Å; A893-K896 PolarHBondContact O-N 3.06Å; A893-K896 VanDerWaalsContact O-N 3.15Å; A893-E897 PolarHBondContact O-N 3.05Å
894V93.3Very high89.1Confident7 Ų769.8 Ų69.84%0.04236%0.361CS..Hα-helixtrans-63.7-39.9177.6171.70000111.3R890 F891 K896 E897 L898 L920 E923 L924 I927R890-V894 HydrophobicContact CG-CG2 4.5Å; R890-V894 WeakPolarHBondContact O-CG2 3.43Å; R890-V894 PolarHBondContact O-N 3.45Å; F891-V894 PolarHBondContact O-N 2.97Å; V894-K896 VanDerWaalsContact C-N 3.32Å; V894-K896 PolarHBondContact O-N 3.28Å; V894-E897 PolarHBondContact O-N 2.91Å; V894-L898 VanDerWaalsContact O-CB 3.24Å; V894-L898 WeakPolarHBondContact O-CB 3.45Å; V894-L898 PolarHBondContact O-N 3.46Å; V894-L920 HydrophobicContact CG1-CB 4.33Å; V894-L920 HydrophobicContact CG1-CD2 4.08Å; V894-L920 WeakPolarHBondContact CG1-O 3.16Å; V894-E923 HydrophobicContact CG2-CG 4.02Å; V894-L924 HydrophobicContact CG1-CB 4.05Å; V894-L924 HydrophobicContact CG1-CD1 4.08Å; V894-I927 HydrophobicContact CB-CD1 4.44Å; V894-I927 HydrophobicContact CG2-CD1 3.87Å
895Q92.1Very high88.8Confident93 Ų9375.1 Ų75.144%0.43539%0.386SS..Hα-helixtrans-63.3-35.9173.5-77-165.3-38.600113F891 A893 A899 L924F891-Q895 HydrophobicContact CD1-CG 4.42Å; F891-Q895 HydrophobicContact CE1-CG 4.21Å; F891-Q895 HydrophobicContact CZ-CG 4.37Å; F891-Q895 VanDerWaalsContact CZ-NE2 3.35Å; F891-Q895 WeakPolarHBondContact O-CB 3.49Å; F891-Q895 WeakPolarHBondContact O-CG 3.39Å; F891-Q895 PolarHBondContact O-N 3.5Å; A893-Q895 PolarHBondContact O-N 3.13Å; Q895-A899 WeakPolarHBondContact O-CB 3.34Å; Q895-A899 PolarHBondContact O-N 3.13Å; Q895-L924 HydrophobicContact CG-CD1 3.84Å
896K93.3Very high88.6Confident128 Ų12881 Ų8156%0.55742%0.415SS*.Hα-helixtrans-68-48.2176-178177.7176.1-72.90111.6A892 A893 V894 L898 A899 E900A892-K896 WeakPolarHBondContact O-CB 3.5Å; A892-K896 PolarHBondContact O-N 2.88Å; A893-K896 WeakPolarHBondContact O-CB 3.48Å; A893-K896 PolarHBondContact O-N 3.06Å; A893-K896 VanDerWaalsContact O-N 3.15Å; V894-K896 VanDerWaalsContact C-N 3.32Å; V894-K896 PolarHBondContact O-N 3.28Å; K896-L898 VanDerWaalsContact C-N 3.34Å; K896-L898 PolarHBondContact O-N 2.83Å; K896-A899 PolarHBondContact O-N 3.12Å; K896-E900 VanDerWaalsContact CE-OE1 3.25Å; K896-E900 WeakPolarHBondContact CE-OE1 3.23Å; K896-E900 IonicContact NZ-OE1 3.39Å; K896-E900 PolarHBondContact NZ-OE1 3.42Å; K896-E900 IonicContact NZ-OE2 3.68Å; K896-E900 WeakPolarHBondContact O-CG 3.46Å; K896-E900 PolarHBondContact O-N 3.5Å
897E93.3Very high88.3Confident64 Ų6482.4 Ų82.430%0.29942%0.424SS..Hα-helixtrans-62.2-42.6177.3-167.1-176.1157.800111.2A893 V894 A899 E900 L901 R916 L920A893-E897 PolarHBondContact O-N 3.05Å; V894-E897 PolarHBondContact O-N 2.91Å; E897-A899 VanDerWaalsContact C-N 3.32Å; E897-A899 PolarHBondContact O-N 3.34Å; E897-E900 PolarHBondContact O-N 2.75Å; E897-L901 HydrophobicContact CG-CD1 4.38Å; E897-L901 WeakPolarHBondContact O-CG 3.43Å; E897-L901 PolarHBondContact O-N 2.9Å; E897-R916 IonicContact OE1-CZ 3.74Å; E897-R916 IonicContact OE1-NE 3.18Å; E897-R916 PolarHBondContact OE1-NE 2.76Å; E897-R916 IonicContact OE1-NH2 2.65Å; E897-R916 PolarHBondContact OE1-NH2 3.11Å; E897-R916 IonicContact OE2-CZ 3.61Å; E897-R916 IonicContact OE2-NH2 2.62Å; E897-R916 PolarHBondContact OE2-NH2 3.25Å; E897-L920 HydrophobicContact CB-CD1 4.2Å; E897-L920 HydrophobicContact CG-CD1 3.83Å
898L90.8Very high87.9Confident19 Ų1986.7 Ų86.710%0.09945%0.446CS..Hα-helixtrans-61.3-39.7176-174.664.5000111.9V894 K896 L901 M902 I917 L920 M921 L924V894-L898 VanDerWaalsContact O-CB 3.24Å; V894-L898 WeakPolarHBondContact O-CB 3.45Å; V894-L898 PolarHBondContact O-N 3.46Å; K896-L898 VanDerWaalsContact C-N 3.34Å; K896-L898 PolarHBondContact O-N 2.83Å; L898-L901 PolarHBondContact O-N 3.15Å; L898-M902 HydrophobicContact CD1-CG 4.35Å; L898-M902 HydrophobicContact CD1-SD 4.44Å; L898-M902 HydrophobicContact CG-CG 4.4Å; L898-M902 HydrophobicContact CG-SD 4.13Å; L898-M902 VanDerWaalsContact O-CB 3.26Å; L898-M902 WeakPolarHBondContact O-CB 3.49Å; L898-M902 WeakPolarHBondContact O-CG 3.02Å; L898-M902 PolarHBondContact O-N 3.1Å; L898-I917 HydrophobicContact CD1-CB 4.44Å; L898-I917 HydrophobicContact CD1-CG1 4.34Å; L898-I917 HydrophobicContact CD1-CG2 3.97Å; L898-L920 HydrophobicContact CD1-CB 4.4Å; L898-M921 HydrophobicContact CD1-CG 4.24Å; L898-M921 HydrophobicContact CD2-CG 4.27Å; L898-L924 HydrophobicContact CD2-CD2 4.44Å
899A90.3Very high87.8Confident57 Ų5784.8 Ų84.847%0.47144%0.437SS..Hα-helixtrans-64.6-45.5175.400000112.3Q895 K896 E897 L901 M902 E903Q895-A899 WeakPolarHBondContact O-CB 3.34Å; Q895-A899 PolarHBondContact O-N 3.13Å; K896-A899 PolarHBondContact O-N 3.12Å; E897-A899 VanDerWaalsContact C-N 3.32Å; E897-A899 PolarHBondContact O-N 3.34Å; A899-L901 VanDerWaalsContact C-N 3.32Å; A899-L901 PolarHBondContact O-N 2.85Å; A899-M902 PolarHBondContact O-N 3.32Å; A899-E903 PolarHBondContact O-N 3.31Å; A899-E903 VanDerWaalsContact O-N 3.08Å
900E90.2Very high87.7Confident100 Ų10084.8 Ų84.847%0.46744%0.44SS..Hα-helixtrans-61-37.9177.3-72.8171.2-172.800112.1K896 E897K896-E900 VanDerWaalsContact CE-OE1 3.25Å; K896-E900 WeakPolarHBondContact CE-OE1 3.23Å; K896-E900 IonicContact NZ-OE1 3.39Å; K896-E900 PolarHBondContact NZ-OE1 3.42Å; K896-E900 IonicContact NZ-OE2 3.68Å; K896-E900 WeakPolarHBondContact O-CG 3.46Å; K896-E900 PolarHBondContact O-N 3.5Å; E897-E900 PolarHBondContact O-N 2.75Å
901L87.9Confident87.5Confident36 Ų3684.4 Ų84.419%0.18844%0.444CS..Hα-helixtrans-76.6-33174.5-63.8179.1000113.1E897 L898 A899 E903 T904 L913 R916 I917 L920E897-L901 HydrophobicContact CG-CD1 4.38Å; E897-L901 WeakPolarHBondContact O-CG 3.43Å; E897-L901 PolarHBondContact O-N 2.9Å; L898-L901 PolarHBondContact O-N 3.15Å; A899-L901 VanDerWaalsContact C-N 3.32Å; A899-L901 PolarHBondContact O-N 2.85Å; L901-E903 VanDerWaalsContact C-N 3.34Å; L901-T904 PolarHBondContact O-N 2.98Å; L901-T904 PolarHBondContact O-OG1 3.21Å; L901-L913 HydrophobicContact CD2-CD1 4.16Å; L901-L913 HydrophobicContact CD2-CG 4.22Å; L901-R916 HydrophobicContact CD1-CB 4.24Å; L901-R916 HydrophobicContact CD1-CG 3.62Å; L901-I917 HydrophobicContact CB-CD1 4.11Å; L901-I917 HydrophobicContact CB-CG1 3.88Å; L901-I917 HydrophobicContact CD1-CG1 4.2Å; L901-L920 HydrophobicContact CD1-CD1 3.63Å
902M81.2Confident87.3Confident118 Ų11885.5 Ų85.558%0.58146%0.461SS*.Hα-helixtrans-69.3-29.8178.6-80.8-173.273.700113.2L898 A899 T904 K909L898-M902 HydrophobicContact CD1-CG 4.35Å; L898-M902 HydrophobicContact CD1-SD 4.44Å; L898-M902 HydrophobicContact CG-CG 4.4Å; L898-M902 HydrophobicContact CG-SD 4.13Å; L898-M902 VanDerWaalsContact O-CB 3.26Å; L898-M902 WeakPolarHBondContact O-CB 3.49Å; L898-M902 WeakPolarHBondContact O-CG 3.02Å; L898-M902 PolarHBondContact O-N 3.1Å; A899-M902 PolarHBondContact O-N 3.32Å; M902-T904 PolarHBondContact O-N 2.94Å; M902-K909 PolarHBondContact O-NZ 3.02Å; M902-K909 VanDerWaalsContact O-NZ 3.12Å
903E86.3Confident87.2Confident175 Ų17584.2 Ų84.282%0.81845%0.446SS*.THydrogen-bonded Turntrans-65.8-21178.4-172.1165.3-153.400113.7A899 L901A899-E903 PolarHBondContact O-N 3.31Å; A899-E903 VanDerWaalsContact O-N 3.08Å; L901-E903 VanDerWaalsContact C-N 3.34Å
904T82.6Confident87Confident47 Ų4785.4 Ų85.429%0.28844%0.44SS..SBendtrans-63.6144.6173.262.20000111.9L901 M902 K909 L913L901-T904 PolarHBondContact O-N 2.98Å; L901-T904 PolarHBondContact O-OG1 3.21Å; M902-T904 PolarHBondContact O-N 2.94Å; T904-K909 WeakPolarHBondContact O-CE 3.48Å; T904-K909 PolarHBondContact O-NZ 3.49Å; T904-K909 VanDerWaalsContact O-NZ 3.13Å; T904-K909 WeakPolarHBondContact OG1-CE 3.31Å; T904-L913 HydrophobicContact CG2-CD1 4.26Å
905E79.4Confident86.9Confident127 Ų12790.6 Ų90.659%0.59346%0.464SS*.  trans-70.2138.3-179.2-162.6-173118.100110.6S907 E908 K909E905-S907 VanDerWaalsContact CD-OG 3.23Å; E905-S907 PolarHBondContact O-N 3Å; E905-S907 VanDerWaalsContact O-N 3.07Å; E905-S907 WeakPolarHBondContact OE1-CB 3.35Å; E905-S907 PolarHBondContact OE1-OG 2.99Å; E905-E908 HydrophobicContact CB-CG 4.35Å; E905-E908 WeakPolarHBondContact O-CA 3.5Å; E905-E908 PolarHBondContact O-N 3.46Å; E905-K909 WeakPolarHBondContact O-CG 3.12Å; E905-K909 PolarHBondContact O-N 3.33Å
906E77.5Confident86.8Confident163 Ų16390.7 Ų90.776%0.76246%0.46SS*.THydrogen-bonded Turntrans-61.6-20.9-176-167.5167.6-172.500114E908E906-E908 VanDerWaalsContact C-N 3.34Å
907S79.6Confident86.7Confident90 Ų9085.6 Ų85.663%0.62944%0.439SS*.THydrogen-bonded Turntrans-70.5-26.1170.863.80000113.7E905E905-S907 VanDerWaalsContact CD-OG 3.23Å; E905-S907 PolarHBondContact O-N 3Å; E905-S907 VanDerWaalsContact O-N 3.07Å; E905-S907 WeakPolarHBondContact OE1-CB 3.35Å; E905-S907 PolarHBondContact OE1-OG 2.99Å
908E82.3Confident86.6Confident143 Ų14386.9 Ų86.967%0.66845%0.447SS*.THydrogen-bonded Turntrans-96.9-10.4-178.4-58.2-171140.200112.8E905 E906 T910E905-E908 HydrophobicContact CB-CG 4.35Å; E905-E908 WeakPolarHBondContact O-CA 3.5Å; E905-E908 PolarHBondContact O-N 3.46Å; E906-E908 VanDerWaalsContact C-N 3.34Å; E908-T910 PolarHBondContact O-N 3.34Å
909K83.5Confident86.8Confident40 Ų4090.9 Ų90.917%0.17446%0.464CS..  trans-66.795.3-177.1-67.2-172.5-174.6178.40112.1M902 T904 E905 L913 K914M902-K909 PolarHBondContact O-NZ 3.02Å; M902-K909 VanDerWaalsContact O-NZ 3.12Å; T904-K909 WeakPolarHBondContact O-CE 3.48Å; T904-K909 PolarHBondContact O-NZ 3.49Å; T904-K909 VanDerWaalsContact O-NZ 3.13Å; T904-K909 WeakPolarHBondContact OG1-CE 3.31Å; E905-K909 WeakPolarHBondContact O-CG 3.12Å; E905-K909 PolarHBondContact O-N 3.33Å; K909-L913 HydrophobicContact CB-CD2 4.05Å; K909-L913 HydrophobicContact CD-CD2 3.96Å; K909-L913 HydrophobicContact CG-CD2 3.74Å; K909-K914 HydrophobicContact CB-CG 4.37Å; K909-K914 VanDerWaalsContact O-CE 3.28Å; K909-K914 WeakPolarHBondContact O-CE 3.43Å
910T88.8Confident86.9Confident86 Ų8688.2 Ų88.253%0.52844%0.442SS..  trans-56.2154.1169.269.40000111.6E908 A912 L913 K914E908-T910 PolarHBondContact O-N 3.34Å; T910-A912 VanDerWaalsContact C-N 3.25Å; T910-A912 PolarHBondContact O-N 3.07Å; T910-L913 WeakPolarHBondContact O-CB 3.48Å; T910-L913 PolarHBondContact O-N 3.31Å; T910-L913 WeakPolarHBondContact OG1-CB 3.28Å; T910-L913 PolarHBondContact OG1-N 3.49Å; T910-K914 PolarHBondContact O-N 3.13Å; T910-K914 VanDerWaalsContact O-N 3.1Å
911E88.4Confident86.9Confident117 Ų11788 Ų8855%0.54744%0.442SS..Hα-helixtrans-60.1-35.5-179.7-166.663.9-170.900112.7L913 K914 Q915E911-L913 VanDerWaalsContact C-N 3.34Å; E911-L913 PolarHBondContact O-N 3.07Å; E911-K914 PolarHBondContact O-N 2.9Å; E911-K914 IonicContact OE2-NZ 3.89Å; E911-Q915 WeakPolarHBondContact O-CG 3.21Å; E911-Q915 PolarHBondContact O-N 3.07Å
912A88.5Confident87.1Confident67 Ų6792.6 Ų92.655%0.55446%0.463SS*.Hα-helixtrans-66.1-34.4174.500000112.8T910 R916T910-A912 VanDerWaalsContact C-N 3.25Å; T910-A912 PolarHBondContact O-N 3.07Å; A912-R916 WeakPolarHBondContact O-CB 3.19Å; A912-R916 PolarHBondContact O-N 3.49Å
913L88Confident87.7Confident32 Ų3288.4 Ų88.417%0.16844%0.442CS..Hα-helixtrans-69.8-37.7175.2-176.2154.5000111.2L901 T904 K909 T910 E911 R916 I917L901-L913 HydrophobicContact CD2-CD1 4.16Å; L901-L913 HydrophobicContact CD2-CG 4.22Å; T904-L913 HydrophobicContact CG2-CD1 4.26Å; K909-L913 HydrophobicContact CB-CD2 4.05Å; K909-L913 HydrophobicContact CD-CD2 3.96Å; K909-L913 HydrophobicContact CG-CD2 3.74Å; T910-L913 WeakPolarHBondContact O-CB 3.48Å; T910-L913 PolarHBondContact O-N 3.31Å; T910-L913 WeakPolarHBondContact OG1-CB 3.28Å; T910-L913 PolarHBondContact OG1-N 3.49Å; E911-L913 VanDerWaalsContact C-N 3.34Å; E911-L913 PolarHBondContact O-N 3.07Å; L913-R916 PolarHBondContact O-N 3.11Å; L913-I917 HydrophobicContact CD2-CD1 3.59Å; L913-I917 HydrophobicContact CD2-CG1 4.23Å; L913-I917 WeakPolarHBondContact O-CG1 3.47Å; L913-I917 PolarHBondContact O-N 2.9Å
914K89.2Confident88Confident84 Ų8481.6 Ų81.637%0.36541%0.411SS..Hα-helixtrans-62.4-50.2172.6-63.8176.2-170.1164.90111.3K909 T910 E911 R916 I917 D918K909-K914 HydrophobicContact CB-CG 4.37Å; K909-K914 VanDerWaalsContact O-CE 3.28Å; K909-K914 WeakPolarHBondContact O-CE 3.43Å; T910-K914 PolarHBondContact O-N 3.13Å; T910-K914 VanDerWaalsContact O-N 3.1Å; E911-K914 PolarHBondContact O-N 2.9Å; E911-K914 IonicContact OE2-NZ 3.89Å; K914-R916 PolarHBondContact O-N 3.1Å; K914-I917 WeakPolarHBondContact O-CA 3.3Å; K914-I917 WeakPolarHBondContact O-CB 3.31Å; K914-I917 PolarHBondContact O-N 2.58Å; K914-D918 PolarHBondContact O-N 2.87Å
915Q91.2Very high88.4Confident117 Ų11784.2 Ų84.255%0.54742%0.422SS..Hα-helixtrans-58.1-33.2175.8-69.9169.88.800112.6E911 F919E911-Q915 WeakPolarHBondContact O-CG 3.21Å; E911-Q915 PolarHBondContact O-N 3.07Å; Q915-F919 WeakPolarHBondContact O-CB 3.49Å; Q915-F919 PolarHBondContact O-N 3.31Å
916R91.8Very high89Confident94 Ų9481.7 Ų81.736%0.35542%0.419SS..Hα-helixtrans-71-40.3172.4-174.958.8177.2167.94.7112.7E897 L901 A912 L913 K914 L920E897-R916 IonicContact OE1-CZ 3.74Å; E897-R916 IonicContact OE1-NE 3.18Å; E897-R916 PolarHBondContact OE1-NE 2.76Å; E897-R916 IonicContact OE1-NH2 2.65Å; E897-R916 PolarHBondContact OE1-NH2 3.11Å; E897-R916 IonicContact OE2-CZ 3.61Å; E897-R916 IonicContact OE2-NH2 2.62Å; E897-R916 PolarHBondContact OE2-NH2 3.25Å; L901-R916 HydrophobicContact CD1-CB 4.24Å; L901-R916 HydrophobicContact CD1-CG 3.62Å; A912-R916 WeakPolarHBondContact O-CB 3.19Å; A912-R916 PolarHBondContact O-N 3.49Å; L913-R916 PolarHBondContact O-N 3.11Å; K914-R916 PolarHBondContact O-N 3.1Å; R916-L920 HydrophobicContact CG-CD1 4.06Å; R916-L920 WeakPolarHBondContact O-CB 2.84Å; R916-L920 WeakPolarHBondContact O-CD1 3.47Å; R916-L920 VanDerWaalsContact O-CG 3.23Å; R916-L920 WeakPolarHBondContact O-CG 3.42Å; R916-L920 PolarHBondContact O-N 3.29Å
917I91Very high89.5Confident22 Ų2274.1 Ų74.111%0.11338%0.383CS..Hα-helixtrans-60.7-47.4172.8-74.8176.6000110.6L898 L901 L913 K914 F919 L920 M921L898-I917 HydrophobicContact CD1-CB 4.44Å; L898-I917 HydrophobicContact CD1-CG1 4.34Å; L898-I917 HydrophobicContact CD1-CG2 3.97Å; L901-I917 HydrophobicContact CB-CD1 4.11Å; L901-I917 HydrophobicContact CB-CG1 3.88Å; L901-I917 HydrophobicContact CD1-CG1 4.2Å; L913-I917 HydrophobicContact CD2-CD1 3.59Å; L913-I917 HydrophobicContact CD2-CG1 4.23Å; L913-I917 WeakPolarHBondContact O-CG1 3.47Å; L913-I917 PolarHBondContact O-N 2.9Å; K914-I917 WeakPolarHBondContact O-CA 3.3Å; K914-I917 WeakPolarHBondContact O-CB 3.31Å; K914-I917 PolarHBondContact O-N 2.58Å; I917-F919 PolarHBondContact O-N 2.57Å; I917-L920 PolarHBondContact O-N 3.08Å; I917-M921 HydrophobicContact CG2-SD 4.17Å; I917-M921 WeakPolarHBondContact O-CG 3.45Å; I917-M921 PolarHBondContact O-N 2.85Å
918D91.5Very high90Very high90 Ų9072.7 Ų72.748%0.48137%0.37SS..Hα-helixtrans-60.5-47.6179.5-63.4-35.8000110.8K914 L920 M921 E922K914-D918 PolarHBondContact O-N 2.87Å; D918-L920 PolarHBondContact O-N 3.22Å; D918-M921 WeakPolarHBondContact O-CB 3.49Å; D918-M921 PolarHBondContact O-N 3.07Å; D918-M921 VanDerWaalsContact O-N 3.14Å; D918-E922 PolarHBondContact O-N 2.89Å
919F93.7Very high90.4Very high104 Ų10469.8 Ų69.846%0.45636%0.359SS..Hα-helixtrans-58.1-44.3174.5179.5-85.9000112.9Q915 I917 M921 E922 E923Q915-F919 WeakPolarHBondContact O-CB 3.49Å; Q915-F919 PolarHBondContact O-N 3.31Å; I917-F919 PolarHBondContact O-N 2.57Å; F919-M921 VanDerWaalsContact C-N 3.29Å; F919-M921 PolarHBondContact O-N 3.38Å; F919-E922 PolarHBondContact O-N 3.28Å; F919-E923 WeakPolarHBondContact O-CB 3.14Å; F919-E923 PolarHBondContact O-N 2.84Å
920L92.6Very high90.8Very high0 Ų071 Ų710%037%0.365CS..Hα-helixtrans-67.5-30.2177.7-72.2166.5000112.2V894 E897 L898 L901 R916 I917 D918 L924V894-L920 HydrophobicContact CG1-CB 4.33Å; V894-L920 HydrophobicContact CG1-CD2 4.08Å; V894-L920 WeakPolarHBondContact CG1-O 3.16Å; E897-L920 HydrophobicContact CB-CD1 4.2Å; E897-L920 HydrophobicContact CG-CD1 3.83Å; L898-L920 HydrophobicContact CD1-CB 4.4Å; L901-L920 HydrophobicContact CD1-CD1 3.63Å; R916-L920 HydrophobicContact CG-CD1 4.06Å; R916-L920 WeakPolarHBondContact O-CB 2.84Å; R916-L920 WeakPolarHBondContact O-CD1 3.47Å; R916-L920 VanDerWaalsContact O-CG 3.23Å; R916-L920 WeakPolarHBondContact O-CG 3.42Å; R916-L920 PolarHBondContact O-N 3.29Å; I917-L920 PolarHBondContact O-N 3.08Å; D918-L920 PolarHBondContact O-N 3.22Å; L920-L924 VanDerWaalsContact O-CB 3.27Å; L920-L924 WeakPolarHBondContact O-CB 3.47Å; L920-L924 PolarHBondContact O-N 3.31Å
921M91.1Very high90.8Very high95 Ų9569.8 Ų69.847%0.46835%0.351SS..Hα-helixtrans-70.7-41.3172.9-75.4-177.352.700111.9L898 I917 D918 F919 L924 I925L898-M921 HydrophobicContact CD1-CG 4.24Å; L898-M921 HydrophobicContact CD2-CG 4.27Å; I917-M921 HydrophobicContact CG2-SD 4.17Å; I917-M921 WeakPolarHBondContact O-CG 3.45Å; I917-M921 PolarHBondContact O-N 2.85Å; D918-M921 WeakPolarHBondContact O-CB 3.49Å; D918-M921 PolarHBondContact O-N 3.07Å; D918-M921 VanDerWaalsContact O-N 3.14Å; F919-M921 VanDerWaalsContact C-N 3.29Å; F919-M921 PolarHBondContact O-N 3.38Å; M921-L924 PolarHBondContact O-N 3.15Å; M921-I925 WeakPolarHBondContact O-CD1 3.28Å; M921-I925 VanDerWaalsContact O-CG1 3.29Å; M921-I925 WeakPolarHBondContact O-CG1 3.49Å; M921-I925 PolarHBondContact O-N 3.39Å
922E91.3Very high90.8Very high134 Ų13468.1 Ų68.163%0.62635%0.345SS*.Hα-helixtrans-62.3-44.2171.9-70.5178.3174.900111.5D918 F919 L924 I925 S926D918-E922 PolarHBondContact O-N 2.89Å; F919-E922 PolarHBondContact O-N 3.28Å; E922-L924 PolarHBondContact O-N 3.33Å; E922-I925 PolarHBondContact O-N 3.06Å; E922-S926 WeakPolarHBondContact O-CB 3.33Å; E922-S926 PolarHBondContact O-N 3.34Å
923E94.4Very high90.9Very high30 Ų3067.2 Ų67.214%0.1433%0.33CS..Hα-helixtrans-60.3-43.9174.5-176.7173.3-178.900111.7R890 V894 F919 I925 S926 I927R890-E923 IonicContact CZ-OE1 2.7Å; R890-E923 IonicContact NE-OE1 3.95Å; R890-E923 PolarHBondContact NE-OE1 3.31Å; R890-E923 IonicContact NH2-OE1 3.8Å; R890-E923 PolarHBondContact NH2-OE1 3.18Å; V894-E923 HydrophobicContact CG2-CG 4.02Å; F919-E923 WeakPolarHBondContact O-CB 3.14Å; F919-E923 PolarHBondContact O-N 2.84Å; E923-I925 PolarHBondContact O-N 3.38Å; E923-S926 WeakPolarHBondContact O-CB 3.39Å; E923-S926 PolarHBondContact O-N 2.57Å; E923-I927 HydrophobicContact CG-CD1 3.79Å; E923-I927 HydrophobicContact CG-CG1 4.41Å; E923-I927 VanDerWaalsContact O-CG1 3.25Å; E923-I927 WeakPolarHBondContact O-CG1 3.35Å; E923-I927 PolarHBondContact O-N 2.84Å
924L92.6Very high91Very high32 Ų3266 Ų6617%0.16832%0.323CS..Hα-helixtrans-62.2-41177.3-169.170.6000111.9F891 V894 Q895 L898 L920 M921 E922 I927 V928F891-L924 HydrophobicContact CD2-CD1 3.48Å; F891-L924 VanDerWaalsContact CD2-CD1 3.48Å; F891-L924 HydrophobicContact CD2-CG 4.5Å; F891-L924 HydrophobicContact CE2-CD1 3.52Å; F891-L924 HydrophobicContact CE2-CG 4.23Å; F891-L924 HydrophobicContact CG-CD1 4.29Å; F891-L924 HydrophobicContact CZ-CD1 4.36Å; V894-L924 HydrophobicContact CG1-CB 4.05Å; V894-L924 HydrophobicContact CG1-CD1 4.08Å; Q895-L924 HydrophobicContact CG-CD1 3.84Å; L898-L924 HydrophobicContact CD2-CD2 4.44Å; L920-L924 VanDerWaalsContact O-CB 3.27Å; L920-L924 WeakPolarHBondContact O-CB 3.47Å; L920-L924 PolarHBondContact O-N 3.31Å; M921-L924 PolarHBondContact O-N 3.15Å; E922-L924 PolarHBondContact O-N 3.33Å; L924-I927 PolarHBondContact O-N 3.16Å; L924-V928 VanDerWaalsContact O-CG2 3.31Å; L924-V928 WeakPolarHBondContact O-CG2 3.36Å; L924-V928 PolarHBondContact O-N 3.38Å
925I90.2Very high90.8Very high101 Ų10165 Ų6552%0.51832%0.324SS..Hα-helixtrans-63.9-44.3175.1-69.4163.6000110.5M921 E922 E923 V928 N929M921-I925 WeakPolarHBondContact O-CD1 3.28Å; M921-I925 VanDerWaalsContact O-CG1 3.29Å; M921-I925 WeakPolarHBondContact O-CG1 3.49Å; M921-I925 PolarHBondContact O-N 3.39Å; E922-I925 PolarHBondContact O-N 3.06Å; E923-I925 PolarHBondContact O-N 3.38Å; I925-V928 PolarHBondContact O-N 2.98Å; I925-N929 WeakPolarHBondContact O-CB 3.49Å; I925-N929 VanDerWaalsContact O-CG 3.31Å; I925-N929 PolarHBondContact O-N 2.97Å; I925-N929 PolarHBondContact O-ND2 3.2Å
926S91.4Very high90.7Very high75 Ų7564.6 Ų64.652%0.52432%0.322SS..Hα-helixtrans-59.8-46.6176.4-174.80000112E922 E923 V928 N929 K930E922-S926 WeakPolarHBondContact O-CB 3.33Å; E922-S926 PolarHBondContact O-N 3.34Å; E923-S926 WeakPolarHBondContact O-CB 3.39Å; E923-S926 PolarHBondContact O-N 2.57Å; S926-V928 PolarHBondContact O-N 3.05Å; S926-N929 PolarHBondContact O-N 3.33Å; S926-K930 WeakPolarHBondContact O-CB 3.34Å; S926-K930 PolarHBondContact O-N 3.47Å
927I89.5Confident90.5Very high3 Ų363.7 Ų63.72%0.01532%0.322CS..Hα-helixtrans-61.7-42.9176.6-68.2163.7000111.6Y887 R890 F891 V894 E923 L924 K930 R931Y887-I927 HydrophobicContact CD1-CG1 4.28Å; Y887-I927 HydrophobicContact CD1-CG2 4.2Å; Y887-I927 WeakPolarHBondContact O-CG2 3.48Å; R890-I927 HydrophobicContact CB-CD1 4.23Å; R890-I927 HydrophobicContact CG-CD1 3.69Å; R890-I927 HydrophobicContact CG-CG1 4.47Å; F891-I927 HydrophobicContact CB-CG2 3.79Å; F891-I927 HydrophobicContact CD2-CG2 4.09Å; F891-I927 HydrophobicContact CG-CG2 4.45Å; V894-I927 HydrophobicContact CB-CD1 4.44Å; V894-I927 HydrophobicContact CG2-CD1 3.87Å; E923-I927 HydrophobicContact CG-CD1 3.79Å; E923-I927 HydrophobicContact CG-CG1 4.41Å; E923-I927 VanDerWaalsContact O-CG1 3.25Å; E923-I927 WeakPolarHBondContact O-CG1 3.35Å; E923-I927 PolarHBondContact O-N 2.84Å; L924-I927 PolarHBondContact O-N 3.16Å; I927-K930 PolarHBondContact O-N 3.06Å; I927-R931 WeakPolarHBondContact O-CG 3.33Å; I927-R931 PolarHBondContact O-N 2.91Å
928V89.9Confident90.3Very high60 Ų6063.8 Ų63.836%0.36432%0.323SS..Hα-helixtrans-63.4-48.5176.7168.90000110.9F891 L924 I925 S926 K930 R931 D932F891-V928 HydrophobicContact CD2-CG2 4.06Å; F891-V928 HydrophobicContact CE2-CG2 3.57Å; L924-V928 VanDerWaalsContact O-CG2 3.31Å; L924-V928 WeakPolarHBondContact O-CG2 3.36Å; L924-V928 PolarHBondContact O-N 3.38Å; I925-V928 PolarHBondContact O-N 2.98Å; S926-V928 PolarHBondContact O-N 3.05Å; V928-K930 VanDerWaalsContact C-N 3.3Å; V928-K930 PolarHBondContact O-N 3.29Å; V928-R931 PolarHBondContact O-N 3.41Å; V928-D932 PolarHBondContact O-N 2.75Å
929N89.1Confident89.9Confident82 Ų8265.1 Ų65.144%0.43933%0.327SS..Hα-helixtrans-59-41.3178-72.5-22.8000111.8I925 S926 D932 E933I925-N929 WeakPolarHBondContact O-CB 3.49Å; I925-N929 VanDerWaalsContact O-CG 3.31Å; I925-N929 PolarHBondContact O-N 2.97Å; I925-N929 PolarHBondContact O-ND2 3.2Å; S926-N929 PolarHBondContact O-N 3.33Å; N929-D932 PolarHBondContact O-N 2.94Å; N929-E933 PolarHBondContact O-N 2.62Å
930K92.2Very high89.5Confident66 Ų6663.2 Ų63.229%0.28733%0.331SS..Hα-helixtrans-72.5-33.1179.7-165.150.4161.4-177.70113.2Y887 S926 I927 V928 E933 L934Y887-K930 HydrophobicContact CD2-CG 4.32Å; Y887-K930 HydrophobicContact CE1-CB 4.19Å; Y887-K930 HydrophobicContact CE1-CG 3.99Å; Y887-K930 HydrophobicContact CE2-CG 3.71Å; S926-K930 WeakPolarHBondContact O-CB 3.34Å; S926-K930 PolarHBondContact O-N 3.47Å; I927-K930 PolarHBondContact O-N 3.06Å; V928-K930 VanDerWaalsContact C-N 3.3Å; V928-K930 PolarHBondContact O-N 3.29Å; K930-E933 HydrophobicContact CD-CB 4.34Å; K930-E933 VanDerWaalsContact CD-OE2 3.24Å; K930-E933 WeakPolarHBondContact CD-OE2 3.27Å; K930-E933 IonicContact NZ-OE1 2.6Å; K930-E933 PolarHBondContact NZ-OE1 3.47Å; K930-E933 IonicContact NZ-OE2 2.7Å; K930-E933 PolarHBondContact NZ-OE2 2.95Å; K930-E933 PolarHBondContact O-N 2.87Å; K930-L934 HydrophobicContact CG-CD1 4.43Å; K930-L934 WeakPolarHBondContact O-CG 3.35Å; K930-L934 PolarHBondContact O-N 3.26Å
931R90.3Very high89.1Confident61 Ų6164.5 Ų64.523%0.2334%0.337CS..Hα-helixtrans-65.5-44.7169.2-74.8175.865.5-153.9-0.6111.6Y887 E888 I927 V928 E933 L934 V935Y887-R931 HydrophobicContact CG-CG 4.41Å; E888-R931 VanDerWaalsContact CG-NE 3.31Å; E888-R931 VanDerWaalsContact CG-NH2 3.31Å; E888-R931 IonicContact OE1-CZ 3.83Å; E888-R931 IonicContact OE1-NE 3.18Å; E888-R931 IonicContact OE1-NH2 2.75Å; E888-R931 PolarHBondContact OE1-NH2 3.12Å; I927-R931 WeakPolarHBondContact O-CG 3.33Å; I927-R931 PolarHBondContact O-N 2.91Å; V928-R931 PolarHBondContact O-N 3.41Å; R931-E933 VanDerWaalsContact C-N 3.25Å; R931-E933 PolarHBondContact O-N 3.15Å; R931-L934 PolarHBondContact O-N 3.43Å; R931-V935 WeakPolarHBondContact O-CB 3.48Å; R931-V935 VanDerWaalsContact O-CG2 3.28Å; R931-V935 WeakPolarHBondContact O-CG2 3.49Å; R931-V935 PolarHBondContact O-N 2.92Å
932D86.9Confident88.7Confident81 Ų8162.5 Ų62.543%0.43333%0.328SS..Hα-helixtrans-58.1-39.6175-117.342.9000111R121 V928 N929 Q936R121-D932 IonicContact NH2-OD2 2.8Å; V928-D932 PolarHBondContact O-N 2.75Å; N929-D932 PolarHBondContact O-N 2.94Å; D932-Q936 WeakPolarHBondContact O-CG 3.3Å; D932-Q936 PolarHBondContact O-N 2.92Å; D932-Q936 PolarHBondContact O-NE2 3.13Å
933E91.8Very high88.3Confident48 Ų4861.6 Ų61.622%0.22432%0.324CS..Hα-helixtrans-65.7-52.7174.8-167-151.8116.600112.3N929 K930 R931 V935 Q936 Q937N929-E933 PolarHBondContact O-N 2.62Å; K930-E933 HydrophobicContact CD-CB 4.34Å; K930-E933 VanDerWaalsContact CD-OE2 3.24Å; K930-E933 WeakPolarHBondContact CD-OE2 3.27Å; K930-E933 IonicContact NZ-OE1 2.6Å; K930-E933 PolarHBondContact NZ-OE1 3.47Å; K930-E933 IonicContact NZ-OE2 2.7Å; K930-E933 PolarHBondContact NZ-OE2 2.95Å; K930-E933 PolarHBondContact O-N 2.87Å; R931-E933 VanDerWaalsContact C-N 3.25Å; R931-E933 PolarHBondContact O-N 3.15Å; E933-V935 VanDerWaalsContact C-N 3.32Å; E933-V935 PolarHBondContact O-N 3.27Å; E933-Q936 WeakPolarHBondContact O-CA 3.36Å; E933-Q936 WeakPolarHBondContact O-CB 3.42Å; E933-Q936 PolarHBondContact O-N 3.24Å; E933-Q937 WeakPolarHBondContact O-CG 3.37Å; E933-Q937 PolarHBondContact O-N 2.82Å; E933-Q937 PolarHBondContact OE1-NE2 3.34Å
934L88.4Confident87.6Confident7 Ų761.6 Ų61.64%0.03733%0.332CS..Hα-helixtrans-63.2-35.9-179.2-70.9169.5000112.5L880 I884 Y887 K930 R931 Q936 Q937 L938L880-L934 HydrophobicContact CD2-CD2 4.09Å; I884-L934 HydrophobicContact CD1-CB 4.16Å; I884-L934 HydrophobicContact CG1-CB 3.52Å; I884-L934 HydrophobicContact CG1-CD1 4.24Å; Y887-L934 HydrophobicContact CD2-CD1 3.6Å; Y887-L934 HydrophobicContact CE2-CD1 3.79Å; K930-L934 HydrophobicContact CG-CD1 4.43Å; K930-L934 WeakPolarHBondContact O-CG 3.35Å; K930-L934 PolarHBondContact O-N 3.26Å; R931-L934 PolarHBondContact O-N 3.43Å; L934-Q936 VanDerWaalsContact C-N 3.35Å; L934-Q937 WeakPolarHBondContact O-CB 3.41Å; L934-Q937 PolarHBondContact O-N 3.39Å; L934-L938 PolarHBondContact O-N 3Å
935V85.8Confident86.9Confident64 Ų6461.9 Ų61.939%0.38834%0.335SS..Hα-helixtrans-64.2-39.1172.6169.70000111.2I884 R931 E933 L938 M939I884-V935 HydrophobicContact CD1-CG2 4.01Å; R931-V935 WeakPolarHBondContact O-CB 3.48Å; R931-V935 VanDerWaalsContact O-CG2 3.28Å; R931-V935 WeakPolarHBondContact O-CG2 3.49Å; R931-V935 PolarHBondContact O-N 2.92Å; E933-V935 VanDerWaalsContact C-N 3.32Å; E933-V935 PolarHBondContact O-N 3.27Å; V935-L938 PolarHBondContact O-N 2.93Å; V935-M939 HydrophobicContact CG1-SD 4.35Å; V935-M939 WeakPolarHBondContact O-CG 3.38Å; V935-M939 PolarHBondContact O-N 2.85Å
936Q88.2Confident86.2Confident107 Ų10762 Ų6250%0.533%0.334SS..Hα-helixtrans-66-36.7172.6-74.6166.697.500112.1D932 E933 L934 A940D932-Q936 WeakPolarHBondContact O-CG 3.3Å; D932-Q936 PolarHBondContact O-N 2.92Å; D932-Q936 PolarHBondContact O-NE2 3.13Å; E933-Q936 WeakPolarHBondContact O-CA 3.36Å; E933-Q936 WeakPolarHBondContact O-CB 3.42Å; E933-Q936 PolarHBondContact O-N 3.24Å; L934-Q936 VanDerWaalsContact C-N 3.35Å; Q936-A940 WeakPolarHBondContact O-CB 3.49Å; Q936-A940 PolarHBondContact O-N 2.73Å
937Q88.9Confident85.5Confident75 Ų7563 Ų6335%0.3533%0.33SS..Hα-helixtrans-63.7-45.2173.2-64.2-169.231.100111.7L880 E933 L934 A940 H941L880-Q937 HydrophobicContact CD2-CB 4Å; E933-Q937 WeakPolarHBondContact O-CG 3.37Å; E933-Q937 PolarHBondContact O-N 2.82Å; E933-Q937 PolarHBondContact OE1-NE2 3.34Å; L934-Q937 WeakPolarHBondContact O-CB 3.41Å; L934-Q937 PolarHBondContact O-N 3.39Å; Q937-A940 PolarHBondContact O-N 2.89Å; Q937-H941 WeakPolarHBondContact O-CB 3.41Å; Q937-H941 PolarHBondContact O-N 3.42Å
938L85.5Confident84.9Confident24 Ų2466.1 Ų66.113%0.12635%0.347CS..Hα-helixtrans-61.4-45.6176.7-177.364.5000111.9L880 L881 I884 L934 V935 A940 H941 D942L880-L938 HydrophobicContact CB-CB 4.46Å; L880-L938 HydrophobicContact CB-CD1 4.02Å; L880-L938 HydrophobicContact CD1-CB 4.46Å; L880-L938 HydrophobicContact CD1-CD1 4.31Å; L881-L938 HydrophobicContact CD2-CD2 3.79Å; I884-L938 HydrophobicContact CD1-CB 4.38Å; I884-L938 HydrophobicContact CD1-CD2 3.97Å; L934-L938 PolarHBondContact O-N 3Å; V935-L938 PolarHBondContact O-N 2.93Å; L938-A940 VanDerWaalsContact C-N 3.33Å; L938-A940 PolarHBondContact O-N 3.14Å; L938-H941 PolarHBondContact O-N 2.98Å; L938-D942 WeakPolarHBondContact O-CB 3.46Å; L938-D942 PolarHBondContact O-N 3.49Å
939M83.7Confident84.3Confident118 Ų11866 Ų6658%0.58135%0.352SS*.Hα-helixtrans-61.2-39.9175.6-71.7-179.770.800112.6V935 Q943V935-M939 HydrophobicContact CG1-SD 4.35Å; V935-M939 WeakPolarHBondContact O-CG 3.38Å; V935-M939 PolarHBondContact O-N 2.85Å; M939-Q943 WeakPolarHBondContact O-CB 3.33Å; M939-Q943 PolarHBondContact O-N 2.99Å; M939-Q943 VanDerWaalsContact O-N 3.1Å
940A85.7Confident83.7Confident65 Ų6567.7 Ų67.754%0.53736%0.357SS..Hα-helixtrans-71.5-37.3177.800000112.6Q936 Q937 L938 G944Q936-A940 WeakPolarHBondContact O-CB 3.49Å; Q936-A940 PolarHBondContact O-N 2.73Å; Q937-A940 PolarHBondContact O-N 2.89Å; L938-A940 VanDerWaalsContact C-N 3.33Å; L938-A940 PolarHBondContact O-N 3.14Å; A940-G944 PolarHBondContact O-N 3.03Å; A940-G944 VanDerWaalsContact O-N 3.12Å
941H83.6Confident82.8Confident27 Ų2769.8 Ų69.813%0.12537%0.369CS..Hα-helixtrans-60.4-55.9172.4172-90.6000110.6R873 L880 Q937 L938 Q943 G944 T945R873-H941 PolarHBondContact O-CE1 3.27Å; R873-H941 VanDerWaalsContact O-CE1 3.28Å; R873-H941 PolarHBondContact O-NE2 2.91Å; L880-H941 HydrophobicContact CD1-CB 4.15Å; Q937-H941 WeakPolarHBondContact O-CB 3.41Å; Q937-H941 PolarHBondContact O-N 3.42Å; L938-H941 PolarHBondContact O-N 2.98Å; H941-Q943 PolarHBondContact O-N 2.85Å; H941-G944 CarbonylContact O-C 3.54Å; H941-G944 WeakPolarHBondContact O-CA 3.36Å; H941-G944 PolarHBondContact O-N 3.41Å; H941-T945 VanDerWaalsContact CE1-CG2 3.48Å; H941-T945 WeakPolarHBondContact CE1-CG2 3.19Å; H941-T945 PolarHBondContact O-N 2.94Å
942D83.1Confident81.9Confident53 Ų5369.8 Ų69.828%0.28338%0.383SS..Hα-helixtrans-64.7-40.2-173.2-700.6000111.3H877 L938 G944 T945 E946H877-D942 IonicContact CE1-OD1 2.8Å; H877-D942 IonicContact CE1-OD2 2.72Å; H877-D942 PolarHBondContact CE1-OD2 2.87Å; H877-D942 VanDerWaalsContact CE1-OD2 3.28Å; H877-D942 IonicContact CG-OD1 2.74Å; H877-D942 IonicContact ND1-OD1 3.82Å; H877-D942 PolarHBondContact ND1-OD1 3.08Å; H877-D942 IonicContact ND1-OD2 3.41Å; H877-D942 PolarHBondContact ND1-OD2 3.2Å; L938-D942 WeakPolarHBondContact O-CB 3.46Å; L938-D942 PolarHBondContact O-N 3.49Å; D942-G944 VanDerWaalsContact C-N 3.32Å; D942-G944 PolarHBondContact O-N 3.5Å; D942-T945 PolarHBondContact O-N 3.3Å; D942-T945 VanDerWaalsContact O-N 3.16Å; D942-T945 PolarHBondContact O-OG1 3.35Å; D942-E946 PolarHBondContact O-N 3.49Å
943Q82.9Confident81.3Confident115 Ų11571.4 Ų71.454%0.53739%0.387SS..Hα-helixtrans-58.1-43.3170-179.5179.9-18.900111.8M939 H941 T945 E946 E947M939-Q943 WeakPolarHBondContact O-CB 3.33Å; M939-Q943 PolarHBondContact O-N 2.99Å; M939-Q943 VanDerWaalsContact O-N 3.1Å; H941-Q943 PolarHBondContact O-N 2.85Å; Q943-T945 VanDerWaalsContact C-N 3.31Å; Q943-T945 PolarHBondContact O-N 2.99Å; Q943-E946 PolarHBondContact O-N 3.32Å; Q943-E947 HydrophobicContact CG-CG 4.43Å; Q943-E947 PolarHBondContact NE2-OE1 3.24Å; Q943-E947 WeakPolarHBondContact O-CB 3.4Å; Q943-E947 PolarHBondContact O-N 3.16Å
944G80.3Confident80.3Confident30 Ų3072.5 Ų72.531%0.30940%0.395SS..Hα-helixtrans-60.2-39.5175.500000112.7A940 H941 D942 D948A940-G944 PolarHBondContact O-N 3.03Å; A940-G944 VanDerWaalsContact O-N 3.12Å; H941-G944 CarbonylContact O-C 3.54Å; H941-G944 WeakPolarHBondContact O-CA 3.36Å; H941-G944 PolarHBondContact O-N 3.41Å; D942-G944 VanDerWaalsContact C-N 3.32Å; D942-G944 PolarHBondContact O-N 3.5Å; G944-D948 WeakPolarHBondContact O-CB 3.3Å; G944-D948 PolarHBondContact O-N 3.35Å
945T77.7Confident79.5Confident38 Ų3875.4 Ų75.423%0.23341%0.413CS..Hα-helixtrans-70.7-36176.168.50000113.4R873 H941 D942 Q943 A949R873-T945 HydrophobicContact CB-CG2 4.09Å; R873-T945 HydrophobicContact CG-CG2 3.97Å; H941-T945 VanDerWaalsContact CE1-CG2 3.48Å; H941-T945 WeakPolarHBondContact CE1-CG2 3.19Å; H941-T945 PolarHBondContact O-N 2.94Å; D942-T945 PolarHBondContact O-N 3.3Å; D942-T945 VanDerWaalsContact O-N 3.16Å; D942-T945 PolarHBondContact O-OG1 3.35Å; Q943-T945 VanDerWaalsContact C-N 3.31Å; Q943-T945 PolarHBondContact O-N 2.99Å; T945-A949 VanDerWaalsContact O-CB 3.26Å; T945-A949 WeakPolarHBondContact O-CB 3.41Å; T945-A949 PolarHBondContact O-N 3.45Å
946E75.1Confident78.6Confident104 Ų10477.9 Ų77.949%0.48642%0.423SS..Hα-helixtrans-69.4-42.4175.1-166.6161.5-12900110.6K750 D942 Q943 D948 A949 E950K750-E946 IonicContact NZ-OE1 3.4Å; K750-E946 PolarHBondContact NZ-OE1 2.86Å; K750-E946 IonicContact NZ-OE2 3.41Å; K750-E946 PolarHBondContact NZ-OE2 3.32Å; D942-E946 PolarHBondContact O-N 3.49Å; Q943-E946 PolarHBondContact O-N 3.32Å; E946-D948 PolarHBondContact O-N 2.96Å; E946-A949 PolarHBondContact O-N 3.46Å; E946-E950 WeakPolarHBondContact O-CB 3.26Å; E946-E950 WeakPolarHBondContact O-CG 3.33Å; E946-E950 PolarHBondContact O-N 3.05Å
947E76.5Confident77.7Confident95 Ų9577.8 Ų77.844%0.44442%0.421SS..Hα-helixtrans-60.8-41.9173.3-77.7-174-15200112.6Q943 M951Q943-E947 HydrophobicContact CG-CG 4.43Å; Q943-E947 PolarHBondContact NE2-OE1 3.24Å; Q943-E947 WeakPolarHBondContact O-CB 3.4Å; Q943-E947 PolarHBondContact O-N 3.16Å; E947-M951 WeakPolarHBondContact O-CB 3.4Å; E947-M951 PolarHBondContact O-N 3.04Å
948D76.6Confident76.1Confident69 Ų6978.7 Ų78.737%0.36943%0.428SS..Hα-helixtrans-71.8-35.8177.3-85.7-27.4000112.7R873 G944 E946 M951 A952R873-D948 IonicContact CZ-OD2 3.14Å; R873-D948 IonicContact NH2-OD2 2.66Å; R873-D948 PolarHBondContact NH2-OD2 3.28Å; G944-D948 WeakPolarHBondContact O-CB 3.3Å; G944-D948 PolarHBondContact O-N 3.35Å; E946-D948 PolarHBondContact O-N 2.96Å; D948-M951 PolarHBondContact O-N 3.25Å; D948-A952 PolarHBondContact O-N 3.47Å
949A76.9Confident74.6Confident57 Ų5780.8 Ų80.847%0.47145%0.445SS..Hα-helixtrans-68.4-42.9175.100000111.7T945 E946 M951 A952 H953T945-A949 VanDerWaalsContact O-CB 3.26Å; T945-A949 WeakPolarHBondContact O-CB 3.41Å; T945-A949 PolarHBondContact O-N 3.45Å; E946-A949 PolarHBondContact O-N 3.46Å; A949-M951 VanDerWaalsContact C-N 3.29Å; A949-M951 PolarHBondContact O-N 2.93Å; A949-A952 PolarHBondContact O-N 3.2Å; A949-H953 WeakPolarHBondContact O-CB 3.44Å; A949-H953 PolarHBondContact O-N 3.13Å
950E77.1Confident73.1Confident117 Ų11780.1 Ų80.155%0.54744%0.443SS..Hα-helixtrans-58.2-41.7169.2-78.2-167.8-178.900111.1E946 H953 N954E946-E950 WeakPolarHBondContact O-CB 3.26Å; E946-E950 WeakPolarHBondContact O-CG 3.33Å; E946-E950 PolarHBondContact O-N 3.05Å; E950-H953 PolarHBondContact O-N 3.1Å; E950-N954 VanDerWaalsContact O-CB 3.25Å; E950-N954 WeakPolarHBondContact O-CB 3.42Å; E950-N954 VanDerWaalsContact O-CG 3.23Å; E950-N954 PolarHBondContact O-N 3.29Å; E950-N954 PolarHBondContact O-ND2 2.91Å
951M72.8Confident71.3Confident110 Ų11081.7 Ų81.754%0.54244%0.441SS..Hα-helixtrans-64.9-40.5177.9-161.5-178.4-43.600112.1E947 D948 A949 V955E947-M951 WeakPolarHBondContact O-CB 3.4Å; E947-M951 PolarHBondContact O-N 3.04Å; D948-M951 PolarHBondContact O-N 3.25Å; A949-M951 VanDerWaalsContact C-N 3.29Å; A949-M951 PolarHBondContact O-N 2.93Å; M951-V955 WeakPolarHBondContact O-CB 3.38Å; M951-V955 VanDerWaalsContact O-CG2 3.26Å; M951-V955 WeakPolarHBondContact O-CG2 3.28Å; M951-V955 PolarHBondContact O-N 3.03Å
952A72.7Confident69.4Low62 Ų6286.1 Ų86.151%0.51246%0.464SS..Hα-helixtrans-64.1-48.8175.600000111.9D948 A949 N954 V955 L956D948-A952 PolarHBondContact O-N 3.47Å; A949-A952 PolarHBondContact O-N 3.2Å; A952-N954 PolarHBondContact O-N 3.31Å; A952-V955 PolarHBondContact O-N 3.04Å; A952-L956 PolarHBondContact O-N 3.17Å
953H72.9Confident67.6Low115 Ų11589.9 Ų89.953%0.53248%0.484SS..Hα-helixtrans-60.5-43.2176.6172.9-98.1000112.2A949 E950 V955 L956 K957A949-H953 WeakPolarHBondContact O-CB 3.44Å; A949-H953 PolarHBondContact O-N 3.13Å; E950-H953 PolarHBondContact O-N 3.1Å; H953-V955 VanDerWaalsContact C-N 3.35Å; H953-V955 PolarHBondContact O-N 3.23Å; H953-L956 PolarHBondContact O-N 3.18Å; H953-K957 VanDerWaalsContact O-CB 3.31Å; H953-K957 WeakPolarHBondContact O-CB 3.21Å; H953-K957 PolarHBondContact O-N 3.15Å
954N71.3Confident65.6Low71 Ų7187.3 Ų87.338%0.3848%0.478SS..Hα-helixtrans-68.3-31.4177.5-73.7-47.3000112.7E950 A952 N958E950-N954 VanDerWaalsContact O-CB 3.25Å; E950-N954 WeakPolarHBondContact O-CB 3.42Å; E950-N954 VanDerWaalsContact O-CG 3.23Å; E950-N954 PolarHBondContact O-N 3.29Å; E950-N954 PolarHBondContact O-ND2 2.91Å; A952-N954 PolarHBondContact O-N 3.31Å; N954-N958 VanDerWaalsContact O-CB 3.24Å; N954-N958 WeakPolarHBondContact O-CB 3.22Å; N954-N958 PolarHBondContact O-N 3.04Å; N954-N958 PolarHBondContact O-ND2 3.32Å; N954-N958 PolarHBondContact O-OD1 3.28Å
955V71.9Confident63.8Low68 Ų6894.9 Ų94.941%0.41251%0.505SS..Hα-helixtrans-65.7-45.9170.5165.30000110.8M951 A952 H953 N958 S959M951-V955 WeakPolarHBondContact O-CB 3.38Å; M951-V955 VanDerWaalsContact O-CG2 3.26Å; M951-V955 WeakPolarHBondContact O-CG2 3.28Å; M951-V955 PolarHBondContact O-N 3.03Å; A952-V955 PolarHBondContact O-N 3.04Å; H953-V955 VanDerWaalsContact C-N 3.35Å; H953-V955 PolarHBondContact O-N 3.23Å; V955-N958 PolarHBondContact O-N 3.38Å; V955-S959 PolarHBondContact O-N 3.49Å; V955-S959 VanDerWaalsContact O-N 3.11Å
956L67.8Low62.1Low115 Ų11599.5 Ų99.560%0.60253%0.529SS*.Hα-helixtrans-63-48.5178.7-162.478.5000111.6A952 H953 N958 S959 I960A952-L956 PolarHBondContact O-N 3.17Å; H953-L956 PolarHBondContact O-N 3.18Å; L956-N958 VanDerWaalsContact C-N 3.32Å; L956-N958 PolarHBondContact O-N 3.19Å; L956-S959 WeakPolarHBondContact O-CB 3.36Å; L956-S959 PolarHBondContact O-N 3.29Å; L956-I960 HydrophobicContact CG-CD1 4.28Å; L956-I960 WeakPolarHBondContact O-CG1 3.38Å; L956-I960 PolarHBondContact O-N 2.98Å; L956-I960 VanDerWaalsContact O-N 3.09Å
957K67.8Low60.6Low106 Ų106102.2 Ų102.246%0.46154%0.541SS..Hα-helixtrans-59.7-40.4178-177.8173.5-179.6175.70112.5H953 S959 I960 L961H953-K957 VanDerWaalsContact O-CB 3.31Å; H953-K957 WeakPolarHBondContact O-CB 3.21Å; H953-K957 PolarHBondContact O-N 3.15Å; K957-S959 VanDerWaalsContact C-N 3.3Å; K957-S959 PolarHBondContact O-N 3.39Å; K957-I960 PolarHBondContact O-N 3.2Å; K957-L961 HydrophobicContact CG-CD1 4.13Å; K957-L961 WeakPolarHBondContact O-CB 3.47Å; K957-L961 PolarHBondContact O-N 2.65Å
958N57.1Low59.4Low93 Ų93107.1 Ų107.150%0.49756%0.561SS.*Hα-helixtrans-72.3-21.7176.7-71.1-6.4000113N954 V955 L956 M962N954-N958 VanDerWaalsContact O-CB 3.24Å; N954-N958 WeakPolarHBondContact O-CB 3.22Å; N954-N958 PolarHBondContact O-N 3.04Å; N954-N958 PolarHBondContact O-ND2 3.32Å; N954-N958 PolarHBondContact O-OD1 3.28Å; V955-N958 PolarHBondContact O-N 3.38Å; L956-N958 VanDerWaalsContact C-N 3.32Å; L956-N958 PolarHBondContact O-N 3.19Å; N958-M962 WeakPolarHBondContact O-CG 3.48Å
959S52.6Low58Low68 Ų68111 Ų11148%0.47658%0.582SS.*Hα-helixtrans-72.7-49.6170.6-151.80000110.5V955 L956 K957 L961 M962 D963V955-S959 PolarHBondContact O-N 3.49Å; V955-S959 VanDerWaalsContact O-N 3.11Å; L956-S959 WeakPolarHBondContact O-CB 3.36Å; L956-S959 PolarHBondContact O-N 3.29Å; K957-S959 VanDerWaalsContact C-N 3.3Å; K957-S959 PolarHBondContact O-N 3.39Å; S959-L961 VanDerWaalsContact C-N 3.28Å; S959-L961 PolarHBondContact O-N 2.99Å; S959-M962 PolarHBondContact O-N 2.92Å; S959-D963 PolarHBondContact O-N 3.15Å
960I53.4Low56.3Low105 Ų105114 Ų11454%0.53860%0.598SS.*Hα-helixtrans-59.6-38-179.8-63.8164.2000111.7L956 K957 M962 S964L956-I960 HydrophobicContact CG-CD1 4.28Å; L956-I960 WeakPolarHBondContact O-CG1 3.38Å; L956-I960 PolarHBondContact O-N 2.98Å; L956-I960 VanDerWaalsContact O-N 3.09Å; K957-I960 PolarHBondContact O-N 3.2Å; I960-M962 VanDerWaalsContact C-N 3.27Å; I960-M962 PolarHBondContact O-N 2.73Å; I960-S964 PolarHBondContact O-N 2.9Å; I960-S964 PolarHBondContact O-OG 2.78Å
961L47.6Very low55Low98 Ų98114.9 Ų114.951%0.51361%0.611SS.*Hα-helixtrans-77.31.6175.9-82.9168.3000115.2K957 S959K957-L961 HydrophobicContact CG-CD1 4.13Å; K957-L961 WeakPolarHBondContact O-CB 3.47Å; K957-L961 PolarHBondContact O-N 2.65Å; S959-L961 VanDerWaalsContact C-N 3.28Å; S959-L961 PolarHBondContact O-N 2.99Å
962M42.6Very low54Low120 Ų120117.3 Ų117.359%0.59163%0.625SS**Hα-helixtrans-105.4-32.1173-67.3-81.190.500112.4N958 S959 I960 S964 H967N958-M962 WeakPolarHBondContact O-CG 3.48Å; S959-M962 PolarHBondContact O-N 2.92Å; I960-M962 VanDerWaalsContact C-N 3.27Å; I960-M962 PolarHBondContact O-N 2.73Å; M962-S964 VanDerWaalsContact C-N 3.3Å; M962-H967 PolarHBondContact O-CE1 3.06Å
963D45.4Very low52.3Low132 Ų132126.4 Ų126.471%0.70666%0.657SS**Hα-helixtrans-77.2-16175.4-65.4-42000113S959S959-D963 PolarHBondContact O-N 3.15Å
964S42.4Very low51.3Low60 Ų60127 Ų12742%0.4266%0.663SS.*SBendtrans-111.2117.6177.155.10000112.1I960 M962I960-S964 PolarHBondContact O-N 2.9Å; I960-S964 PolarHBondContact O-OG 2.78Å; M962-S964 VanDerWaalsContact C-N 3.3Å
965E41.4Very low50.2Low189 Ų189129.9 Ų129.988%0.88368%0.678SS**SBendtrans64.972.5169.1-52.4-166.8153.200118.3
966D42.4Very low49Very low136 Ų136133.4 Ų133.473%0.72769%0.693SS**  trans-167.4-4.4140.1-117.1-18.9000117.6K968D966-K968 PolarHBondContact O-N 2.97Å
967H44.1Very low47.9Very low160 Ų160134.5 Ų134.574%0.74170%0.698SS**THydrogen-bonded Turntrans-68.936.3-171.4-64.61.4000117.1M962M962-H967 PolarHBondContact O-CE1 3.06Å
968K50.7Low46.7Very low199 Ų199136.3 Ų136.387%0.86571%0.713SS**THydrogen-bonded Turntrans-125.9-12.6-178.2-72.7-176.8178.8171.80116.6D966D966-K968 PolarHBondContact O-N 2.97Å
969N47.5Very low46Very low149 Ų149139.1 Ų139.180%0.79773%0.727SS**SBendtrans-119.61.2-169-80.7-17.7000116.7
970C39.9Very low45.5Very low122 Ų122144.2 Ų144.282%0.82475%0.745SS**  trans-101.499-177-154.90000112.5
971V50.5Low44.9Very low135 Ų135147.2 Ų147.282%0.81876%0.761SS**  trans-99.1118.7164.1177.20000107.8
972I51.4Low44.7Very low160 Ų160151.3 Ų151.382%0.82178%0.782SS**  trans-78.7135.1171.8-57.3175000108.2
973Q37.8Very low44.9Very low254 Ų254154.2 Ų154.2100%1.18780%0.799SS**  trans-120.90-179-168.5176.821.900111

Retrieved 973 of 973 residues in 210.9 ms (Link to these results)

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