A0A5K4EQV8_SCHMA Loading...

Monocarboxylate transporter 14

AlphaFold DB , UniProt , Accession A0A5K4EQV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 516 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
1M83.1Confident93.3Very high114 Ų11439.4 Ų39.456%0.56219%0.19SC*.  0-49.80-76.1-54.4176.900114Q3 F4 S54M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.8Å; M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-F4 HydrophobicContact SD-CD2 4.28Å; M1-S54 WeakPolarHBondContact CB-OG 3.33Å
2P90.5Very high93.2Very high27 Ų2738.9 Ų38.918%0.17519%0.189CC..G310 helixtrans-50.7-48-173.9-27.133.4000113.8F4 F5 S54 L57 Q58P2-F4 PolarHBondContact O-N 3.23Å; P2-F4 VanDerWaalsContact O-N 3.1Å; P2-F5 PolarHBondContact O-N 2.89Å; P2-F5 VanDerWaalsContact O-N 3.11Å; P2-S54 WeakPolarHBondContact CB-O 3.38Å; P2-S54 WeakPolarHBondContact CD-OG 3.36Å; P2-L57 HydrophobicContact CB-CD2 3.89Å; P2-L57 HydrophobicContact CG-CD1 4.44Å; P2-L57 HydrophobicContact CG-CD2 3.96Å; P2-Q58 HydrophobicContact CB-CB 3.91Å; P2-Q58 WeakPolarHBondContact O-CB 3.35Å; P2-Q58 WeakPolarHBondContact O-CG 3.32Å; P2-Q58 PolarHBondContact O-OE1 2.92Å
3Q94.2Very high93.2Very high32 Ų3236.1 Ų36.115%0.1518%0.175CC..G310 helixtrans-63.1-21.8-174.3-63.1172.2-38.500114.7M1 F5 A6 Q58 L454 N457 N461M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.8Å; Q3-F5 PolarHBondContact O-N 3.31Å; Q3-A6 WeakPolarHBondContact O-CB 3.44Å; Q3-A6 PolarHBondContact O-N 2.92Å; Q3-Q58 VanDerWaalsContact CA-OE1 3.25Å; Q3-Q58 VanDerWaalsContact N-OE1 3.09Å; Q3-L454 HydrophobicContact CB-CB 4.29Å; Q3-L454 WeakPolarHBondContact CB-O 3.5Å; Q3-L454 HydrophobicContact CG-CD2 4.4Å; Q3-N457 PolarHBondContact NE2-OD1 2.89Å; Q3-N457 PolarHBondContact OE1-OD1 3.42Å; Q3-N461 PolarHBondContact OE1-ND2 3.41Å
4F92.8Very high93Very high65 Ų6538.2 Ų38.229%0.28519%0.188SC..G310 helixtrans-64.9-26.4176.6-81.3-89000113M1 P2 A6 P7 L459 L462M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-F4 HydrophobicContact SD-CD2 4.28Å; P2-F4 PolarHBondContact O-N 3.23Å; P2-F4 VanDerWaalsContact O-N 3.1Å; F4-A6 VanDerWaalsContact C-N 3.32Å; F4-P7 VanDerWaalsContact O-CD 3.23Å; F4-P7 WeakPolarHBondContact O-CD 3.39Å; F4-L459 HydrophobicContact CE1-CB 4.29Å; F4-L459 HydrophobicContact CE1-CD1 4.21Å; F4-L459 HydrophobicContact CZ-CB 4.12Å; F4-L459 HydrophobicContact CZ-CD1 4.06Å; F4-L462 HydrophobicContact CE2-CD2 4.35Å; F4-L462 HydrophobicContact CZ-CD2 4.13Å
5F93.9Very high92.5Very high62 Ų6235.8 Ų35.827%0.27218%0.176SC..G310 helixtrans-83.7-9.4179.7-63-72.9000112.7P2 Q3 P7 F8 L9 I51 I55P2-F5 PolarHBondContact O-N 2.89Å; P2-F5 VanDerWaalsContact O-N 3.11Å; Q3-F5 PolarHBondContact O-N 3.31Å; F5-P7 WeakPolarHBondContact O-CD 3.38Å; F5-F8 PolarHBondContact O-N 2.99Å; F5-F8 VanDerWaalsContact O-N 3.12Å; F5-L9 HydrophobicContact CB-CD1 3.67Å; F5-L9 HydrophobicContact CB-CG 4.02Å; F5-L9 VanDerWaalsContact O-CG 3.29Å; F5-L9 WeakPolarHBondContact O-CG 3.36Å; F5-L9 PolarHBondContact O-N 2.84Å; F5-I51 HydrophobicContact CZ-CG2 4.1Å; F5-I55 HydrophobicContact CD1-CD1 4.46Å; F5-I55 HydrophobicContact CD1-CG1 4.01Å; F5-I55 HydrophobicContact CD2-CG1 3.58Å; F5-I55 HydrophobicContact CE1-CD1 4.02Å; F5-I55 HydrophobicContact CE1-CG1 3.91Å; F5-I55 HydrophobicContact CE2-CD1 4.23Å; F5-I55 HydrophobicContact CE2-CG1 3.46Å; F5-I55 VanDerWaalsContact CE2-CG1 3.46Å; F5-I55 HydrophobicContact CG-CG1 3.86Å; F5-I55 HydrophobicContact CZ-CD1 3.89Å; F5-I55 HydrophobicContact CZ-CG1 3.64Å
6A96.6Very high92Very high0 Ų037.6 Ų37.60%018%0.181CC..Hα-helixtrans-53.9-40.8-177.500000116.2Q3 F4 F8 L9 C10 L62 L454Q3-A6 WeakPolarHBondContact O-CB 3.44Å; Q3-A6 PolarHBondContact O-N 2.92Å; F4-A6 VanDerWaalsContact C-N 3.32Å; A6-F8 PolarHBondContact O-N 3.38Å; A6-L9 PolarHBondContact O-N 3.42Å; A6-C10 PolarHBondContact O-N 3.06Å; A6-C10 PolarHBondContact O-SG 3.37Å; A6-L62 HydrophobicContact CB-CD1 4.31Å; A6-L454 HydrophobicContact CB-CB 3.62Å; A6-L454 HydrophobicContact CB-CD1 3.89Å; A6-L454 HydrophobicContact CB-CG 4.41Å
7P95Very high91.8Very high28 Ų2835.8 Ų35.818%0.18217%0.174CC..Hα-helixtrans-71.6-22.3-176.930.7-29.7000111.2F4 F5 P11 L246 T455F4-P7 VanDerWaalsContact O-CD 3.23Å; F4-P7 WeakPolarHBondContact O-CD 3.39Å; F5-P7 WeakPolarHBondContact O-CD 3.38Å; P7-P11 WeakPolarHBondContact O-CD 3.47Å; P7-P11 VanDerWaalsContact O-CG 3.28Å; P7-P11 WeakPolarHBondContact O-CG 3.45Å; P7-L246 HydrophobicContact CB-CD1 4.35Å; P7-L246 HydrophobicContact CB-CD2 4.06Å; P7-L246 WeakPolarHBondContact O-CD1 3.44Å; P7-T455 WeakPolarHBondContact CD-OG1 2.95Å; P7-T455 WeakPolarHBondContact CG-OG1 3.29Å
8F94.6Very high91.8Very high100 Ų10034.5 Ų34.544%0.43917%0.168SC..Hα-helixtrans-84.9-42.2171.2178.5-98.8000111.7F5 A6 P11 L12 F239F5-F8 PolarHBondContact O-N 2.99Å; F5-F8 VanDerWaalsContact O-N 3.12Å; A6-F8 PolarHBondContact O-N 3.38Å; F8-P11 WeakPolarHBondContact O-CD 3.32Å; F8-L12 HydrophobicContact CE1-CD2 4.11Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 2.74Å; F8-F239 AromaticContact CD2-CZ 3.89Å; F8-F239 HydrophobicContact CD2-CZ 3.89Å; F8-F239 HydrophobicContact CE2-CE1 4.3Å; F8-F239 HydrophobicContact CE2-CE2 4.29Å; F8-F239 AromaticContact CE2-CZ 3.51Å; F8-F239 HydrophobicContact CE2-CZ 3.51Å; F8-F239 HydrophobicContact CZ-CZ 4.24Å
9L95.7Very high91.8Very high5 Ų532.7 Ų32.73%0.02616%0.159CC..Hα-helixtrans-75.3-31.4-174.2-62.3178.7000113.6F5 A6 L12 L13 Q58 L59 L62F5-L9 HydrophobicContact CB-CD1 3.67Å; F5-L9 HydrophobicContact CB-CG 4.02Å; F5-L9 VanDerWaalsContact O-CG 3.29Å; F5-L9 WeakPolarHBondContact O-CG 3.36Å; F5-L9 PolarHBondContact O-N 2.84Å; A6-L9 PolarHBondContact O-N 3.42Å; L9-L12 HydrophobicContact CD2-CD2 3.98Å; L9-L12 WeakPolarHBondContact O-CB 3.31Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-L13 WeakPolarHBondContact O-CB 3.01Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-Q58 HydrophobicContact CD1-CB 3.87Å; L9-Q58 HydrophobicContact CD1-CG 3.82Å; L9-L59 HydrophobicContact CB-CD1 4.44Å; L9-L59 HydrophobicContact CD1-CB 4.22Å; L9-L59 HydrophobicContact CD2-CD1 4.19Å; L9-L62 HydrophobicContact CB-CD1 3.75Å
10C96Very high91.6Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-64.6-51.3177.7-55.90000111.8A6 L12 L13 D14 M66 S447A6-C10 PolarHBondContact O-N 3.06Å; A6-C10 PolarHBondContact O-SG 3.37Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 2.64Å; C10-L13 PolarHBondContact O-N 3.26Å; C10-L13 VanDerWaalsContact O-N 3.15Å; C10-D14 PolarHBondContact O-N 2.86Å; C10-M66 HydrophobicContact CB-CE 4.18Å; C10-M66 HydrophobicContact CB-SD 4.07Å; C10-S447 WeakPolarHBondContact CB-O 3.45Å; C10-S447 VanDerWaalsContact CB-OG 3.26Å; C10-S447 WeakPolarHBondContact CB-OG 3.26Å
11P93.4Very high91.7Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-60.7-33.9172.5-24.334.6000113.7P7 F8 T15 F239 N242 F243 L246P7-P11 WeakPolarHBondContact O-CD 3.47Å; P7-P11 VanDerWaalsContact O-CG 3.28Å; P7-P11 WeakPolarHBondContact O-CG 3.45Å; F8-P11 WeakPolarHBondContact O-CD 3.32Å; P11-T15 PolarHBondContact O-N 3.45Å; P11-T15 PolarHBondContact O-OG1 3.38Å; P11-F239 HydrophobicContact CB-CD2 4.39Å; P11-F239 HydrophobicContact CB-CE2 4.13Å; P11-N242 HydrophobicContact CB-CB 3.83Å; P11-F243 HydrophobicContact CG-CD2 4.42Å; P11-L246 HydrophobicContact CG-CD1 4.03Å; P11-L246 HydrophobicContact CG-CG 4.42Å
12L92.6Very high92.1Very high34 Ų3424.4 Ų24.418%0.17812%0.119CC..Hα-helixtrans-62.4-46175.3-177.666.8000110.4F8 L9 C10 T15 Y16 F235 F239F8-L12 HydrophobicContact CE1-CD2 4.11Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 2.74Å; L9-L12 HydrophobicContact CD2-CD2 3.98Å; L9-L12 WeakPolarHBondContact O-CB 3.31Å; L9-L12 PolarHBondContact O-N 3.21Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 2.64Å; L12-T15 CarbonylContact O-C 3Å; L12-T15 PolarHBondContact O-N 3.23Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L12-Y16 HydrophobicContact CD1-CD2 3.72Å; L12-Y16 HydrophobicContact CD1-CE2 4.12Å; L12-Y16 HydrophobicContact CD1-CG 4.47Å; L12-Y16 HydrophobicContact CG-CD2 4.47Å; L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 PolarHBondContact O-N 3.2Å; L12-F235 HydrophobicContact CD1-CE2 4.46Å; L12-F235 HydrophobicContact CD1-CZ 4.14Å; L12-F239 HydrophobicContact CB-CE2 4.12Å; L12-F239 HydrophobicContact CD1-CD2 4.43Å; L12-F239 HydrophobicContact CD1-CE2 4.41Å
13L93Very high92.2Very high2 Ų223.1 Ų23.11%0.0111%0.111CC..Hα-helixtrans-65.4-39.4178.7-74.3173000113.2L9 C10 T15 Y16 G17 F18 L59 L62 S63 M66L9-L13 WeakPolarHBondContact O-CB 3.01Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.35Å; C10-L13 PolarHBondContact O-N 3.26Å; C10-L13 VanDerWaalsContact O-N 3.15Å; L13-T15 PolarHBondContact O-N 3.02Å; L13-T15 VanDerWaalsContact O-N 3.13Å; L13-Y16 PolarHBondContact O-N 3.15Å; L13-G17 WeakPolarHBondContact O-CA 3.45Å; L13-G17 PolarHBondContact O-N 3.34Å; L13-F18 HydrophobicContact CB-CD1 4.28Å; L13-F18 HydrophobicContact CB-CE1 4.35Å; L13-L59 HydrophobicContact CD1-CD1 4.19Å; L13-L59 HydrophobicContact CD2-CD1 3.65Å; L13-L59 HydrophobicContact CG-CD1 3.91Å; L13-L62 HydrophobicContact CD1-CB 3.35Å; L13-L62 HydrophobicContact CD1-CD1 4.43Å; L13-S63 WeakPolarHBondContact CD2-OG 3.44Å; L13-M66 HydrophobicContact CB-CE 4.48Å; L13-M66 HydrophobicContact CB-SD 4.21Å; L13-M66 HydrophobicContact CD1-SD 3.8Å
14D90Very high92.2Very high66 Ų6626.3 Ų26.335%0.35312%0.122SC..Hα-helixtrans-59.4-24.5173.8-68.3-32.1000112.3C10 M66 S447C10-D14 PolarHBondContact O-N 2.86Å; D14-M66 WeakPolarHBondContact OD1-CE 3.37Å; D14-S447 WeakPolarHBondContact OD2-CB 3.36Å; D14-S447 PolarHBondContact OD2-OG 3.12Å
15T86.5Confident92.3Very high2 Ų223.2 Ų23.21%0.01211%0.108CC..Hα-helixtrans-99.3-41-178.6-41.20000112.5P11 L12 L13 L185 F235 E238 F239 N242P11-T15 PolarHBondContact O-N 3.45Å; P11-T15 PolarHBondContact O-OG1 3.38Å; L12-T15 CarbonylContact O-C 3Å; L12-T15 PolarHBondContact O-N 3.23Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L13-T15 PolarHBondContact O-N 3.02Å; L13-T15 VanDerWaalsContact O-N 3.13Å; T15-L185 WeakPolarHBondContact O-CD1 3.47Å; T15-F235 HydrophobicContact CG2-CD2 3.41Å; T15-F235 VanDerWaalsContact CG2-CD2 3.41Å; T15-F235 HydrophobicContact CG2-CE2 3.52Å; T15-F235 HydrophobicContact CG2-CG 4.48Å; T15-E238 HydrophobicContact CG2-CB 3.78Å; T15-F239 HydrophobicContact CG2-CB 4.31Å; T15-N242 PolarHBondContact OG1-ND2 3.02Å
16Y84.5Confident92.3Very high65 Ų6520.2 Ų20.226%0.25510%0.095SC..Hα-helixtrans-85.2-20.3-177.3-108.4-107.4000113.7L12 L13 P183 S184 F235L12-Y16 HydrophobicContact CD1-CD2 3.72Å; L12-Y16 HydrophobicContact CD1-CE2 4.12Å; L12-Y16 HydrophobicContact CD1-CG 4.47Å; L12-Y16 HydrophobicContact CG-CD2 4.47Å; L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 PolarHBondContact O-N 3.2Å; L13-Y16 PolarHBondContact O-N 3.15Å; Y16-P183 HydrophobicContact CD1-CB 4Å; Y16-P183 HydrophobicContact CD1-CG 3.86Å; Y16-P183 HydrophobicContact CD2-CB 4.42Å; Y16-P183 HydrophobicContact CD2-CG 4.31Å; Y16-P183 HydrophobicContact CE1-CB 4.16Å; Y16-P183 HydrophobicContact CE1-CG 3.48Å; Y16-P183 VanDerWaalsContact CE1-CG 3.48Å; Y16-P183 HydrophobicContact CE2-CG 3.95Å; Y16-P183 HydrophobicContact CG-CB 4.14Å; Y16-P183 HydrophobicContact CG-CG 4.26Å; Y16-S184 WeakPolarHBondContact O-CB 3.48Å; Y16-S184 PolarHBondContact O-N 3.25Å; Y16-S184 PolarHBondContact O-OG 2.89Å; Y16-F235 HydrophobicContact CD2-CD2 4.17Å; Y16-F235 AromaticContact CD2-CE2 3.42Å; Y16-F235 HydrophobicContact CD2-CE2 3.42Å; Y16-F235 VanDerWaalsContact CD2-CE2 3.42Å; Y16-F235 HydrophobicContact CD2-CZ 4.02Å; Y16-F235 HydrophobicContact CE2-CD2 4.01Å; Y16-F235 HydrophobicContact CE2-CE1 4.49Å; Y16-F235 AromaticContact CE2-CE2 3.37Å; Y16-F235 HydrophobicContact CE2-CE2 3.37Å; Y16-F235 AromaticContact CE2-CZ 3.65Å; Y16-F235 HydrophobicContact CE2-CZ 3.65Å
17G88.5Confident92.2Very high6 Ų622 Ų226%0.06210%0.104CC..  trans85.1156.4-169.500000113.5L13 G21L13-G17 WeakPolarHBondContact O-CA 3.45Å; L13-G17 PolarHBondContact O-N 3.34Å; G17-G21 PolarHBondContact O-N 3.1Å; G17-G21 VanDerWaalsContact O-N 3.17Å
18F91.9Very high92.2Very high13 Ų1322.4 Ų22.46%0.05711%0.105CC..Hα-helixtrans-73.8-36.1-173.5-52.3-55.4000112.2L13 G21 S22 S63 M66 A70 L133 D134 L137L13-F18 HydrophobicContact CB-CD1 4.28Å; L13-F18 HydrophobicContact CB-CE1 4.35Å; F18-G21 PolarHBondContact O-N 3.3Å; F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.85Å; F18-S63 WeakPolarHBondContact O-CB 3.48Å; F18-S63 PolarHBondContact O-OG 3.3Å; F18-M66 HydrophobicContact CD1-CB 3.89Å; F18-M66 HydrophobicContact CE1-CB 3.37Å; F18-M66 HydrophobicContact CE1-CE 4.17Å; F18-M66 HydrophobicContact CE1-CG 4.47Å; F18-M66 HydrophobicContact CE1-SD 4.48Å; F18-M66 HydrophobicContact CZ-CB 3.98Å; F18-A70 HydrophobicContact CE2-CB 4.2Å; F18-A70 HydrophobicContact CZ-CB 4.48Å; F18-L133 HydrophobicContact CD2-CD2 4.07Å; F18-L133 HydrophobicContact CE2-CD2 4.35Å; F18-D134 WeakPolarHBondContact CD2-OD1 3.49Å; F18-D134 PolarHBondContact N-OD1 2.82Å; F18-D134 PolarHBondContact N-OD2 3.48Å; F18-L137 HydrophobicContact CD2-CD1 4.34Å; F18-L137 HydrophobicContact CE2-CD1 3.63Å
19S90.4Very high92.3Very high0 Ų018.3 Ų18.30%09%0.087CC..Hα-helixtrans-60-51.9177.2178.20000111.7G21 S22 A23 A127 D134 R187S19-G21 VanDerWaalsContact C-N 3.29Å; S19-G21 PolarHBondContact O-N 2.86Å; S19-S22 PolarHBondContact O-N 3.17Å; S19-A23 PolarHBondContact O-N 2.94Å; S19-A127 VanDerWaalsContact CB-O 3.29Å; S19-A127 WeakPolarHBondContact CB-O 3.34Å; S19-A127 WeakPolarHBondContact O-CB 3.4Å; S19-A127 PolarHBondContact OG-O 3.19Å; S19-D134 WeakPolarHBondContact CA-OD2 3.45Å; S19-D134 WeakPolarHBondContact CB-OD2 3.39Å; S19-D134 PolarHBondContact N-OD2 3.06Å; S19-R187 PolarHBondContact OG-NH1 3.28Å; S19-R187 PolarHBondContact OG-NH2 3.4Å
20S89.5Confident92.3Very high1 Ų121.8 Ų21.81%0.00710%0.1CC..Hα-helixtrans-65.8-35.9178.8-55.50000111.3A23 W24 I182S20-A23 PolarHBondContact O-N 3.28Å; S20-W24 PolarHBondContact O-N 3.5Å; S20-W24 VanDerWaalsContact O-N 3.11Å; S20-I182 PolarHBondContact OG-O 3.01Å
21G92.4Very high92.3Very high4 Ų424.8 Ų24.84%0.04112%0.116CC..Hα-helixtrans-57.4-53.3169.900000113G17 F18 S19 A23 W24 G25 L59 S63G17-G21 PolarHBondContact O-N 3.1Å; G17-G21 VanDerWaalsContact O-N 3.17Å; F18-G21 PolarHBondContact O-N 3.3Å; S19-G21 VanDerWaalsContact C-N 3.29Å; S19-G21 PolarHBondContact O-N 2.86Å; G21-A23 VanDerWaalsContact C-N 3.28Å; G21-A23 PolarHBondContact O-N 3.33Å; G21-W24 PolarHBondContact O-N 3.39Å; G21-G25 PolarHBondContact O-N 3.24Å; G21-L59 VanDerWaalsContact O-CD2 3.27Å; G21-L59 WeakPolarHBondContact O-CD2 3.34Å; G21-L59 VanDerWaalsContact O-CG 3.24Å; G21-L59 WeakPolarHBondContact O-CG 3.17Å; G21-S63 WeakPolarHBondContact CA-OG 3.33Å
22S92.7Very high92.5Very high0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-59.9-39179.8-720000112.1F18 S19 G25 A26 S63F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.85Å; S19-S22 PolarHBondContact O-N 3.17Å; S22-G25 PolarHBondContact O-N 2.9Å; S22-A26 WeakPolarHBondContact O-CB 3.17Å; S22-A26 PolarHBondContact O-N 3.08Å; S22-S63 PolarHBondContact N-OG 2.89Å; S22-S63 VanDerWaalsContact N-OG 3.09Å; S22-S63 WeakPolarHBondContact OG-CB 3.33Å
23A92.6Very high92.7Very high1 Ų123.3 Ų23.31%0.00811%0.108CC..Hα-helixtrans-64.4-49.3178.500000112.1S19 S20 G21 G25 A26 L27 L124 A127 C179S19-A23 PolarHBondContact O-N 2.94Å; S20-A23 PolarHBondContact O-N 3.28Å; G21-A23 VanDerWaalsContact C-N 3.28Å; G21-A23 PolarHBondContact O-N 3.33Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.3Å; A23-A26 PolarHBondContact O-N 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.2Å; A23-L124 HydrophobicContact CB-CD1 3.75Å; A23-A127 HydrophobicContact CB-CB 3.81Å; A23-C179 WeakPolarHBondContact CB-O 3.47Å
24W92.7Very high92.9Very high98 Ų9826.7 Ų26.737%0.37112%0.123SC..Hα-helixtrans-64.2-36174.9-83.4114.1000112S20 G21 L27 L28 L59 C181S20-W24 PolarHBondContact O-N 3.5Å; S20-W24 VanDerWaalsContact O-N 3.11Å; G21-W24 PolarHBondContact O-N 3.39Å; W24-L27 HydrophobicContact CE3-CD1 4.48Å; W24-L27 PolarHBondContact O-N 3.02Å; W24-L28 WeakPolarHBondContact O-CB 3.41Å; W24-L28 WeakPolarHBondContact O-CG 3.27Å; W24-L28 PolarHBondContact O-N 3.11Å; W24-L59 HydrophobicContact CB-CD2 3.75Å; W24-C181 HydrophobicContact CZ2-CB 4.05Å; W24-C181 WeakPolarHBondContact CZ2-SG 3.37Å
25G95.1Very high93.2Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-58.1-52.3175.100000111.7G21 S22 A23 L27 L28 M29 G56 T60G21-G25 PolarHBondContact O-N 3.24Å; S22-G25 PolarHBondContact O-N 2.9Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.3Å; G25-L27 PolarHBondContact O-N 2.91Å; G25-L28 PolarHBondContact O-N 2.8Å; G25-M29 VanDerWaalsContact O-CG 3.28Å; G25-M29 WeakPolarHBondContact O-CG 3.48Å; G25-M29 PolarHBondContact O-N 3.3Å; G25-G56 WeakPolarHBondContact CA-O 3.47Å; G25-G56 VanDerWaalsContact O-CA 3.32Å; G25-G56 WeakPolarHBondContact O-CA 3.27Å; G25-T60 WeakPolarHBondContact CA-OG1 3.24Å
26A94.9Very high93.7Very high0 Ų026.1 Ų26.10%012%0.122CC..Hα-helixtrans-59.9-44.9177.200000112.5S22 A23 M29 W30 I123 L124S22-A26 WeakPolarHBondContact O-CB 3.17Å; S22-A26 PolarHBondContact O-N 3.08Å; A23-A26 PolarHBondContact O-N 3.27Å; A26-M29 PolarHBondContact O-N 3.27Å; A26-W30 WeakPolarHBondContact O-CB 3.32Å; A26-W30 PolarHBondContact O-N 3.48Å; A26-I123 HydrophobicContact CB-CB 3.92Å; A26-I123 HydrophobicContact CB-CG2 3.9Å; A26-L124 HydrophobicContact CB-CB 4.3Å
27L94.4Very high94.2Very high36 Ų3623.4 Ų23.419%0.18811%0.112CC..Hα-helixtrans-64.6-43.5178.6-71.4173.4000112.1A23 W24 G25 W30 I31 L121A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.2Å; W24-L27 HydrophobicContact CE3-CD1 4.48Å; W24-L27 PolarHBondContact O-N 3.02Å; G25-L27 PolarHBondContact O-N 2.91Å; L27-W30 HydrophobicContact CD2-CE3 4.46Å; L27-W30 PolarHBondContact O-N 3.46Å; L27-I31 WeakPolarHBondContact O-CB 3.44Å; L27-I31 WeakPolarHBondContact O-CG1 3.2Å; L27-I31 PolarHBondContact O-N 3.48Å; L27-L121 HydrophobicContact CD2-CD1 4.32Å
28L95.5Very high94.5Very high37 Ų3729.1 Ų29.119%0.19414%0.135CC..Hα-helixtrans-66.7-38.9178.3-69.5170.4000111.8W24 G25 G32 L52 I55W24-L28 WeakPolarHBondContact O-CB 3.41Å; W24-L28 WeakPolarHBondContact O-CG 3.27Å; W24-L28 PolarHBondContact O-N 3.11Å; G25-L28 PolarHBondContact O-N 2.8Å; L28-G32 PolarHBondContact O-N 3.16Å; L28-L52 HydrophobicContact CD2-CD1 3.64Å; L28-I55 HydrophobicContact CD1-CG2 3.96Å
29M95.3Very high94.7Very high14 Ų1428.8 Ų28.87%0.06914%0.135CC..Hα-helixtrans-62.8-48173.1-71.8177.777.700111.5G25 A26 G32 C33 T53 L57 L120 I123G25-M29 VanDerWaalsContact O-CG 3.28Å; G25-M29 WeakPolarHBondContact O-CG 3.48Å; G25-M29 PolarHBondContact O-N 3.3Å; A26-M29 PolarHBondContact O-N 3.27Å; M29-G32 PolarHBondContact O-N 2.93Å; M29-C33 PolarHBondContact O-N 3.26Å; M29-T53 HydrophobicContact CG-CG2 4.47Å; M29-L57 HydrophobicContact CE-CB 4.08Å; M29-L57 HydrophobicContact CE-CG 4.3Å; M29-L57 HydrophobicContact CG-CB 4.42Å; M29-L57 VanDerWaalsContact CG-N 3.32Å; M29-L57 VanDerWaalsContact SD-CA 3.54Å; M29-L57 HydrophobicContact SD-CB 4.16Å; M29-L120 HydrophobicContact CB-CD1 4.46Å; M29-L120 HydrophobicContact CE-CD1 4.19Å; M29-L120 HydrophobicContact CE-CD2 3.66Å; M29-L120 HydrophobicContact CE-CG 4.44Å; M29-I123 HydrophobicContact CE-CD1 4.03Å; M29-I123 HydrophobicContact SD-CD1 3.94Å
30W96.3Very high94.8Very high78 Ų7835.9 Ų35.930%0.29517%0.173SC..Hα-helixtrans-59.7-52.3177.4168.168.9000111.4A26 L27 G32 C33 F34 S117 L121A26-W30 WeakPolarHBondContact O-CB 3.32Å; A26-W30 PolarHBondContact O-N 3.48Å; L27-W30 HydrophobicContact CD2-CE3 4.46Å; L27-W30 PolarHBondContact O-N 3.46Å; W30-G32 VanDerWaalsContact C-N 3.33Å; W30-G32 PolarHBondContact O-N 3.35Å; W30-C33 PolarHBondContact O-N 3.4Å; W30-F34 WeakPolarHBondContact O-CB 3.3Å; W30-F34 PolarHBondContact O-N 2.96Å; W30-S117 VanDerWaalsContact CD1-O 3.3Å; W30-L121 HydrophobicContact CB-CB 4.43Å; W30-L121 HydrophobicContact CB-CD1 4.03Å; W30-L121 HydrophobicContact CD2-CD1 4.23Å; W30-L121 HydrophobicContact CG-CB 4.31Å; W30-L121 HydrophobicContact CG-CD1 3.93Å
31I96.5Very high95Very high64 Ų6438.4 Ų38.433%0.32819%0.19SC..Hα-helixtrans-59.9-44.6178.5-66.3166.7000110.4L27 F34 V35 L52L27-I31 WeakPolarHBondContact O-CB 3.44Å; L27-I31 WeakPolarHBondContact O-CG1 3.2Å; L27-I31 PolarHBondContact O-N 3.48Å; I31-F34 PolarHBondContact O-N 3.05Å; I31-V35 HydrophobicContact CG2-CG2 4.03Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 VanDerWaalsContact O-CG2 3.25Å; I31-V35 WeakPolarHBondContact O-CG2 3.39Å; I31-V35 PolarHBondContact O-N 3.14Å; I31-L52 HydrophobicContact CG2-CD2 3.9Å
32G97.1Very high95.1Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-58.6-50.7179.400000112.5L28 M29 W30 S36 T53L28-G32 PolarHBondContact O-N 3.16Å; M29-G32 PolarHBondContact O-N 2.93Å; W30-G32 VanDerWaalsContact C-N 3.33Å; W30-G32 PolarHBondContact O-N 3.35Å; G32-S36 VanDerWaalsContact O-CB 3.31Å; G32-S36 WeakPolarHBondContact O-CB 3.43Å; G32-S36 PolarHBondContact O-N 2.71Å; G32-S36 VanDerWaalsContact O-N 3.08Å; G32-S36 PolarHBondContact O-OG 3.45Å; G32-T53 WeakPolarHBondContact CA-OG1 3.37Å
33C96.2Very high95.3Very high2 Ų252.5 Ų52.51%0.01425%0.253CS..Hα-helixtrans-68.8-40.3177.3-67.40000112.3M29 W30 S36 S37 T53 L120M29-C33 PolarHBondContact O-N 3.26Å; W30-C33 PolarHBondContact O-N 3.4Å; C33-S36 WeakPolarHBondContact O-CB 3.32Å; C33-S36 PolarHBondContact O-N 3.09Å; C33-S37 PolarHBondContact O-N 2.92Å; C33-S37 VanDerWaalsContact O-N 3.13Å; C33-T53 PolarHBondContact N-OG1 3.34Å; C33-L120 HydrophobicContact CB-CD1 4.44Å
34F97.2Very high95.4Very high74 Ų7455.3 Ų55.333%0.32527%0.269SS..Hα-helixtrans-60.5-51.3178.3-179.9-94.1000111.6W30 I31 S36 S37 F38 L114W30-F34 WeakPolarHBondContact O-CB 3.3Å; W30-F34 PolarHBondContact O-N 2.96Å; I31-F34 PolarHBondContact O-N 3.05Å; F34-S36 VanDerWaalsContact C-N 3.26Å; F34-S36 PolarHBondContact O-N 3.48Å; F34-S37 WeakPolarHBondContact O-CB 3.46Å; F34-S37 PolarHBondContact O-N 3.21Å; F34-S37 PolarHBondContact O-OG 3.28Å; F34-F38 HydrophobicContact CD1-CE2 4.35Å; F34-F38 HydrophobicContact CD2-CE2 4.46Å; F34-F38 HydrophobicContact CE1-CD2 4.41Å; F34-F38 AromaticContact CE1-CE2 3.88Å; F34-F38 HydrophobicContact CE1-CE2 3.88Å; F34-F38 HydrophobicContact CE2-CE2 4.01Å; F34-F38 AromaticContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CZ 4.38Å; F34-F38 WeakPolarHBondContact O-CD2 3.36Å; F34-L114 HydrophobicContact CD2-CD1 3.56Å; F34-L114 HydrophobicContact CE2-CD1 3.62Å
35V96.8Very high95.5Very high56 Ų5652.5 Ų52.534%0.33926%0.262SS..Hα-helixtrans-65.8-32.8178.1-178.90000111I31 S37 F38 A39 T48I31-V35 HydrophobicContact CG2-CG2 4.03Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 VanDerWaalsContact O-CG2 3.25Å; I31-V35 WeakPolarHBondContact O-CG2 3.39Å; I31-V35 PolarHBondContact O-N 3.14Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.47Å; V35-F38 PolarHBondContact O-N 2.97Å; V35-A39 PolarHBondContact O-N 3.26Å; V35-T48 HydrophobicContact CB-CG2 4.03Å; V35-T48 HydrophobicContact CG1-CG2 3.64Å
36S97Very high95.5Very high0 Ų059.7 Ų59.70%029%0.29CS..Hα-helixtrans-62.3-32.4176.1-60.70000113.2G32 C33 F34 F38 A39 T48 L49G32-S36 VanDerWaalsContact O-CB 3.31Å; G32-S36 WeakPolarHBondContact O-CB 3.43Å; G32-S36 PolarHBondContact O-N 2.71Å; G32-S36 VanDerWaalsContact O-N 3.08Å; G32-S36 PolarHBondContact O-OG 3.45Å; C33-S36 WeakPolarHBondContact O-CB 3.32Å; C33-S36 PolarHBondContact O-N 3.09Å; F34-S36 VanDerWaalsContact C-N 3.26Å; F34-S36 PolarHBondContact O-N 3.48Å; S36-F38 PolarHBondContact O-N 3Å; S36-A39 VanDerWaalsContact O-CB 3.29Å; S36-A39 WeakPolarHBondContact O-CB 3.36Å; S36-A39 PolarHBondContact O-N 3.33Å; S36-A39 VanDerWaalsContact O-N 3.11Å; S36-T48 WeakPolarHBondContact OG-CB 3.32Å; S36-T48 PolarHBondContact OG-OG1 3.45Å; S36-L49 WeakPolarHBondContact OG-CB 3.39Å; S36-L49 PolarHBondContact OG-N 2.89Å
37S95.5Very high95.5Very high7 Ų764.7 Ų64.75%0.04932%0.316CS..Hα-helixtrans-59.5-33176.673.10000112.5C33 F34 V35 R110C33-S37 PolarHBondContact O-N 2.92Å; C33-S37 VanDerWaalsContact O-N 3.13Å; F34-S37 WeakPolarHBondContact O-CB 3.46Å; F34-S37 PolarHBondContact O-N 3.21Å; F34-S37 PolarHBondContact O-OG 3.28Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.47Å; S37-R110 VanDerWaalsContact CB-O 3.25Å; S37-R110 WeakPolarHBondContact CB-O 3.48Å; S37-R110 WeakPolarHBondContact O-CB 3.44Å; S37-R110 WeakPolarHBondContact O-CG 3.44Å; S37-R110 PolarHBondContact O-NH1 3.01Å
38F95.7Very high95.6Very high127 Ų12763.3 Ų63.356%0.55731%0.309SS*.THydrogen-bonded Turntrans-96.77179.1-55.2-76.6000113.9F34 V35 S36 N40 L114F34-F38 HydrophobicContact CD1-CE2 4.35Å; F34-F38 HydrophobicContact CD2-CE2 4.46Å; F34-F38 HydrophobicContact CE1-CD2 4.41Å; F34-F38 AromaticContact CE1-CE2 3.88Å; F34-F38 HydrophobicContact CE1-CE2 3.88Å; F34-F38 HydrophobicContact CE2-CE2 4.01Å; F34-F38 AromaticContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CZ 4.38Å; F34-F38 WeakPolarHBondContact O-CD2 3.36Å; V35-F38 PolarHBondContact O-N 2.97Å; S36-F38 PolarHBondContact O-N 3Å; F38-N40 PolarHBondContact O-N 3.31Å; F38-L114 HydrophobicContact CE2-CD1 4.26Å; F38-L114 HydrophobicContact CZ-CD1 4.33Å
39A94Very high95.6Very high5 Ų564.6 Ų64.64%0.04132%0.316CS..  trans-69.6119.1-173.700000112.4V35 S36 V44 L45 R110V35-A39 PolarHBondContact O-N 3.26Å; S36-A39 VanDerWaalsContact O-CB 3.29Å; S36-A39 WeakPolarHBondContact O-CB 3.36Å; S36-A39 PolarHBondContact O-N 3.33Å; S36-A39 VanDerWaalsContact O-N 3.11Å; A39-V44 HydrophobicContact CB-CB 4.07Å; A39-V44 HydrophobicContact CB-CG1 3.75Å; A39-L45 HydrophobicContact CB-CB 4.49Å; A39-R110 VanDerWaalsContact O-CZ 3.25Å; A39-R110 PolarHBondContact O-NH1 3.32Å; A39-R110 PolarHBondContact O-NH2 3.01Å
40N93Very high95.5Very high150 Ų15065 Ų6580%0.80232%0.324SS*.  trans-967.3179-68-27.9000113.9F38F38-N40 PolarHBondContact O-N 3.31Å
41S95.2Very high95.5Very high53 Ų5365.4 Ų65.437%0.37133%0.331SS..SBendtrans-149.6146.4179.3174.50000110.5H43 V44 L45S41-H43 PolarHBondContact O-N 2.74Å; S41-H43 PolarHBondContact OG-N 2.96Å; S41-V44 PolarHBondContact O-N 3.44Å; S41-V44 VanDerWaalsContact O-N 3.15Å; S41-L45 PolarHBondContact O-N 2.89Å; S41-L45 VanDerWaalsContact O-N 3.16Å
42F94.2Very high95.5Very high153 Ų15364.5 Ų64.567%0.67133%0.326SS*.Hα-helixtrans-57.8-33173.2-67.1-71.7000112.3V44 L45 Y46F42-V44 PolarHBondContact O-N 3.33Å; F42-L45 PolarHBondContact O-N 3.12Å; F42-Y46 HydrophobicContact CB-CE2 4.05Å; F42-Y46 WeakPolarHBondContact O-CD2 3.47Å; F42-Y46 VanDerWaalsContact O-CG 3.25Å; F42-Y46 PolarHBondContact O-N 3.39Å
43H95.4Very high95.4Very high147 Ų14765.1 Ų65.168%0.68133%0.33SS*.Hα-helixtrans-63.7-40.5177-62-61.2000112.4S41 L45 Y46 L47S41-H43 PolarHBondContact O-N 2.74Å; S41-H43 PolarHBondContact OG-N 2.96Å; H43-L45 VanDerWaalsContact C-N 3.35Å; H43-Y46 PolarHBondContact O-N 2.93Å; H43-L47 WeakPolarHBondContact O-CB 3.43Å; H43-L47 PolarHBondContact O-N 3.18Å; H43-L47 VanDerWaalsContact O-N 3.09Å
44V95.7Very high95.4Very high60 Ų6065.6 Ų65.636%0.36433%0.334SS..Hα-helixtrans-64-45.6175.1177.80000109.1A39 S41 F42 Y46 L47 T48A39-V44 HydrophobicContact CB-CB 4.07Å; A39-V44 HydrophobicContact CB-CG1 3.75Å; S41-V44 PolarHBondContact O-N 3.44Å; S41-V44 VanDerWaalsContact O-N 3.15Å; F42-V44 PolarHBondContact O-N 3.33Å; V44-Y46 PolarHBondContact O-N 3.43Å; V44-L47 PolarHBondContact O-N 3.21Å; V44-L47 VanDerWaalsContact O-N 3.14Å; V44-T48 HydrophobicContact CG1-CG2 4.06Å; V44-T48 WeakPolarHBondContact O-CG2 3.29Å; V44-T48 PolarHBondContact O-N 3.36Å; V44-T48 PolarHBondContact O-OG1 2.83Å
45L94.8Very high95.4Very high39 Ų3964.1 Ų64.120%0.20433%0.329CS..Hα-helixtrans-61.3-42.9178.7-168.768.1000112.7A39 S41 F42 H43 L47 T48 L49 G50A39-L45 HydrophobicContact CB-CB 4.49Å; S41-L45 PolarHBondContact O-N 2.89Å; S41-L45 VanDerWaalsContact O-N 3.16Å; F42-L45 PolarHBondContact O-N 3.12Å; H43-L45 VanDerWaalsContact C-N 3.35Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 3.03Å; L45-T48 PolarHBondContact O-N 3.4Å; L45-L49 HydrophobicContact CD1-CB 3.91Å; L45-L49 HydrophobicContact CD1-CD2 3.94Å; L45-L49 HydrophobicContact CG-CB 4.31Å; L45-L49 HydrophobicContact CG-CD2 4.41Å; L45-L49 WeakPolarHBondContact O-CA 3.42Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 PolarHBondContact O-N 3.43Å; L45-G50 PolarHBondContact O-N 3.28Å
46Y94.8Very high95.4Very high151 Ų15161.4 Ų61.459%0.59231%0.313SS*.Iπ-helixtrans-62.4-36.7175.1-66.5-38000112.3F42 H43 V44 G50 I51F42-Y46 HydrophobicContact CB-CE2 4.05Å; F42-Y46 WeakPolarHBondContact O-CD2 3.47Å; F42-Y46 VanDerWaalsContact O-CG 3.25Å; F42-Y46 PolarHBondContact O-N 3.39Å; H43-Y46 PolarHBondContact O-N 2.93Å; V44-Y46 PolarHBondContact O-N 3.43Å; Y46-G50 CarbonylContact O-C 3.59Å; Y46-G50 WeakPolarHBondContact O-CA 3.41Å; Y46-G50 PolarHBondContact O-N 3.02Å; Y46-I51 PolarHBondContact O-N 3.23Å
47L96Very high95.3Very high106 Ų10665 Ų6556%0.55533%0.331SS*.Iπ-helixtrans-73.4-47.1176.9-172.6151.6000111.6H43 V44 L45 I51 L52H43-L47 WeakPolarHBondContact O-CB 3.43Å; H43-L47 PolarHBondContact O-N 3.18Å; H43-L47 VanDerWaalsContact O-N 3.09Å; V44-L47 PolarHBondContact O-N 3.21Å; V44-L47 VanDerWaalsContact O-N 3.14Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 3.03Å; L47-I51 WeakPolarHBondContact O-CB 3.22Å; L47-I51 PolarHBondContact O-N 3.33Å; L47-L52 PolarHBondContact O-N 3.21Å
48T96.4Very high95.4Very high7 Ų764.8 Ų64.84%0.04333%0.33CS..Iπ-helixtrans-81.7-57.5-172.457.10000111.9V35 S36 V44 L45 L52 T53V35-T48 HydrophobicContact CB-CG2 4.03Å; V35-T48 HydrophobicContact CG1-CG2 3.64Å; S36-T48 WeakPolarHBondContact OG-CB 3.32Å; S36-T48 PolarHBondContact OG-OG1 3.45Å; V44-T48 HydrophobicContact CG1-CG2 4.06Å; V44-T48 WeakPolarHBondContact O-CG2 3.29Å; V44-T48 PolarHBondContact O-N 3.36Å; V44-T48 PolarHBondContact O-OG1 2.83Å; L45-T48 PolarHBondContact O-N 3.4Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.28Å; T48-L52 PolarHBondContact O-N 2.97Å; T48-T53 PolarHBondContact O-N 3.48Å; T48-T53 PolarHBondContact O-OG1 3.43Å
49L94.7Very high95.3Very high63 Ų6359.2 Ų59.233%0.3331%0.306SS..Iπ-helixtrans-76.5-38.2179.3-169.761.3000111.3S36 L45 T53 L113S36-L49 WeakPolarHBondContact OG-CB 3.39Å; S36-L49 PolarHBondContact OG-N 2.89Å; L45-L49 HydrophobicContact CD1-CB 3.91Å; L45-L49 HydrophobicContact CD1-CD2 3.94Å; L45-L49 HydrophobicContact CG-CB 4.31Å; L45-L49 HydrophobicContact CG-CD2 4.41Å; L45-L49 WeakPolarHBondContact O-CA 3.42Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 PolarHBondContact O-N 3.43Å; L49-T53 HydrophobicContact CD1-CG2 4.48Å; L49-T53 WeakPolarHBondContact O-CB 3.25Å; L49-L113 HydrophobicContact CD1-CD2 4.41Å
50G94.1Very high95.4Very high24 Ų2459.9 Ų59.925%0.24731%0.309CS..Iπ-helixtrans-75-55.3-177.300000113.3L45 Y46 S54L45-G50 PolarHBondContact O-N 3.28Å; Y46-G50 CarbonylContact O-C 3.59Å; Y46-G50 WeakPolarHBondContact O-CA 3.41Å; Y46-G50 PolarHBondContact O-N 3.02Å; G50-S54 WeakPolarHBondContact O-CB 3.38Å; G50-S54 PolarHBondContact O-OG 3.19Å
51I95.3Very high95.5Very high86 Ų8655.6 Ų55.644%0.44128%0.282SS..Iπ-helixtrans-92.1-56.6-174.9-61172.7000111.4F5 Y46 L47 S54 I55F5-I51 HydrophobicContact CZ-CG2 4.1Å; Y46-I51 PolarHBondContact O-N 3.23Å; L47-I51 WeakPolarHBondContact O-CB 3.22Å; L47-I51 PolarHBondContact O-N 3.33Å; I51-S54 WeakPolarHBondContact O-CB 3.26Å; I51-S54 PolarHBondContact O-N 3.39Å; I51-I55 HydrophobicContact CG2-CD1 3.94Å; I51-I55 WeakPolarHBondContact O-CG1 3.38Å; I51-I55 PolarHBondContact O-N 3.44Å
52L96Very high95.5Very high44 Ų4453 Ų5323%0.2326%0.264CS..Iπ-helixtrans-65.1-50.9-170.9-171.765.4000112.3L28 I31 L47 T48 S54 I55 G56L28-L52 HydrophobicContact CD2-CD1 3.64Å; I31-L52 HydrophobicContact CG2-CD2 3.9Å; L47-L52 PolarHBondContact O-N 3.21Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.28Å; T48-L52 PolarHBondContact O-N 2.97Å; L52-S54 VanDerWaalsContact C-N 3.26Å; L52-S54 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.34Å; L52-G56 PolarHBondContact O-N 3.48Å
53T96.3Very high95.6Very high13 Ų1345.8 Ų45.88%0.0823%0.232CC..Hα-helixtrans-61-36.2174.6-56.80000111.5M29 G32 C33 T48 L49 G56 L57M29-T53 HydrophobicContact CG-CG2 4.47Å; G32-T53 WeakPolarHBondContact CA-OG1 3.37Å; C33-T53 PolarHBondContact N-OG1 3.34Å; T48-T53 PolarHBondContact O-N 3.48Å; T48-T53 PolarHBondContact O-OG1 3.43Å; L49-T53 HydrophobicContact CD1-CG2 4.48Å; L49-T53 WeakPolarHBondContact O-CB 3.25Å; T53-G56 PolarHBondContact O-N 3.45Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 3.33Å
54S96.4Very high95.5Very high13 Ų1340.5 Ų40.59%0.09121%0.214CC..Hα-helixtrans-65.6-39.6177.9-75.50000113.6M1 P2 G50 I51 L52 G56 L57 Q58M1-S54 WeakPolarHBondContact CB-OG 3.33Å; P2-S54 WeakPolarHBondContact CB-O 3.38Å; P2-S54 WeakPolarHBondContact CD-OG 3.36Å; G50-S54 WeakPolarHBondContact O-CB 3.38Å; G50-S54 PolarHBondContact O-OG 3.19Å; I51-S54 WeakPolarHBondContact O-CB 3.26Å; I51-S54 PolarHBondContact O-N 3.39Å; L52-S54 VanDerWaalsContact C-N 3.26Å; L52-S54 PolarHBondContact O-N 2.96Å; S54-G56 VanDerWaalsContact C-N 3.33Å; S54-L57 PolarHBondContact O-N 2.93Å; S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 PolarHBondContact O-N 2.76Å
55I96.4Very high95.5Very high42 Ų4237.6 Ų37.622%0.21520%0.197CC..Hα-helixtrans-62.4-46.2174.5-66.3166000109.3F5 L28 I51 L52 L57 Q58 L59F5-I55 HydrophobicContact CD1-CD1 4.46Å; F5-I55 HydrophobicContact CD1-CG1 4.01Å; F5-I55 HydrophobicContact CD2-CG1 3.58Å; F5-I55 HydrophobicContact CE1-CD1 4.02Å; F5-I55 HydrophobicContact CE1-CG1 3.91Å; F5-I55 HydrophobicContact CE2-CD1 4.23Å; F5-I55 HydrophobicContact CE2-CG1 3.46Å; F5-I55 VanDerWaalsContact CE2-CG1 3.46Å; F5-I55 HydrophobicContact CG-CG1 3.86Å; F5-I55 HydrophobicContact CZ-CD1 3.89Å; F5-I55 HydrophobicContact CZ-CG1 3.64Å; L28-I55 HydrophobicContact CD1-CG2 3.96Å; I51-I55 HydrophobicContact CG2-CD1 3.94Å; I51-I55 WeakPolarHBondContact O-CG1 3.38Å; I51-I55 PolarHBondContact O-N 3.44Å; L52-I55 PolarHBondContact O-N 3.34Å; I55-L57 PolarHBondContact O-N 3Å; I55-Q58 PolarHBondContact O-N 2.84Å; I55-L59 VanDerWaalsContact O-CB 3.32Å; I55-L59 WeakPolarHBondContact O-CB 3.23Å; I55-L59 PolarHBondContact O-N 2.72Å
56G96.2Very high95.6Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-62.8-41.9178.900000113.2G25 L52 T53 S54 L59 T60G25-G56 WeakPolarHBondContact CA-O 3.47Å; G25-G56 VanDerWaalsContact O-CA 3.32Å; G25-G56 WeakPolarHBondContact O-CA 3.27Å; L52-G56 PolarHBondContact O-N 3.48Å; T53-G56 PolarHBondContact O-N 3.45Å; S54-G56 VanDerWaalsContact C-N 3.33Å; G56-L59 PolarHBondContact O-N 2.84Å; G56-T60 WeakPolarHBondContact O-CB 3.46Å; G56-T60 PolarHBondContact O-N 3.31Å; G56-T60 PolarHBondContact O-OG1 2.79Å
57L95.4Very high95.5Very high75 Ų7529.2 Ų29.239%0.39316%0.163SC..Hα-helixtrans-61.8-48.3176-173.1160.7000110.6P2 M29 T53 S54 I55 L59 T60 Y61P2-L57 HydrophobicContact CB-CD2 3.89Å; P2-L57 HydrophobicContact CG-CD1 4.44Å; P2-L57 HydrophobicContact CG-CD2 3.96Å; M29-L57 HydrophobicContact CE-CB 4.08Å; M29-L57 HydrophobicContact CE-CG 4.3Å; M29-L57 HydrophobicContact CG-CB 4.42Å; M29-L57 VanDerWaalsContact CG-N 3.32Å; M29-L57 VanDerWaalsContact SD-CA 3.54Å; M29-L57 HydrophobicContact SD-CB 4.16Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 3.33Å; S54-L57 PolarHBondContact O-N 2.93Å; I55-L57 PolarHBondContact O-N 3Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.44Å; L57-T60 PolarHBondContact O-N 2.92Å; L57-Y61 VanDerWaalsContact O-CB 3.26Å; L57-Y61 WeakPolarHBondContact O-CB 3.41Å; L57-Y61 PolarHBondContact O-N 3.32Å
58Q96.7Very high95.4Very high3 Ų325.4 Ų25.41%0.01414%0.144CC..Hα-helixtrans-63.4-41.2179.3-169.561.341.600111.9P2 Q3 L9 S54 I55 Y61 L62P2-Q58 HydrophobicContact CB-CB 3.91Å; P2-Q58 WeakPolarHBondContact O-CB 3.35Å; P2-Q58 WeakPolarHBondContact O-CG 3.32Å; P2-Q58 PolarHBondContact O-OE1 2.92Å; Q3-Q58 VanDerWaalsContact CA-OE1 3.25Å; Q3-Q58 VanDerWaalsContact N-OE1 3.09Å; L9-Q58 HydrophobicContact CD1-CB 3.87Å; L9-Q58 HydrophobicContact CD1-CG 3.82Å; S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 PolarHBondContact O-N 2.76Å; I55-Q58 PolarHBondContact O-N 2.84Å; Q58-Y61 PolarHBondContact O-N 3.24Å; Q58-L62 HydrophobicContact CG-CD1 3.85Å; Q58-L62 HydrophobicContact CG-CG 4.29Å; Q58-L62 VanDerWaalsContact NE2-CG 3.33Å; Q58-L62 WeakPolarHBondContact O-CB 3.36Å; Q58-L62 VanDerWaalsContact O-CG 3.26Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 2.8Å
59L95.1Very high95.3Very high10 Ų1025.1 Ų25.15%0.05214%0.143CC..Hα-helixtrans-65.5-45.1-179-171.859.3000111.4L9 L13 G21 W24 I55 G56 L57 L62 S63L9-L59 HydrophobicContact CB-CD1 4.44Å; L9-L59 HydrophobicContact CD1-CB 4.22Å; L9-L59 HydrophobicContact CD2-CD1 4.19Å; L13-L59 HydrophobicContact CD1-CD1 4.19Å; L13-L59 HydrophobicContact CD2-CD1 3.65Å; L13-L59 HydrophobicContact CG-CD1 3.91Å; G21-L59 VanDerWaalsContact O-CD2 3.27Å; G21-L59 WeakPolarHBondContact O-CD2 3.34Å; G21-L59 VanDerWaalsContact O-CG 3.24Å; G21-L59 WeakPolarHBondContact O-CG 3.17Å; W24-L59 HydrophobicContact CB-CD2 3.75Å; I55-L59 VanDerWaalsContact O-CB 3.32Å; I55-L59 WeakPolarHBondContact O-CB 3.23Å; I55-L59 PolarHBondContact O-N 2.72Å; G56-L59 PolarHBondContact O-N 2.84Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.22Å; L59-S63 WeakPolarHBondContact O-CB 3.43Å; L59-S63 PolarHBondContact O-N 3.18Å; L59-S63 PolarHBondContact O-OG 3.05Å
60T94.7Very high95.1Very high18 Ų1823.7 Ų23.711%0.1114%0.139CC..Hα-helixtrans-61.3-47.7174.6-56.30000111.7G25 G56 L57 L62 S63 A64 I123G25-T60 WeakPolarHBondContact CA-OG1 3.24Å; G56-T60 WeakPolarHBondContact O-CB 3.46Å; G56-T60 PolarHBondContact O-N 3.31Å; G56-T60 PolarHBondContact O-OG1 2.79Å; L57-T60 PolarHBondContact O-N 2.92Å; T60-L62 PolarHBondContact O-N 3.33Å; T60-S63 PolarHBondContact O-N 3.48Å; T60-A64 PolarHBondContact O-N 3.46Å; T60-I123 HydrophobicContact CG2-CG2 3.28Å
61Y95.2Very high94.9Very high60 Ų6028 Ų2824%0.23515%0.153CC..Hα-helixtrans-59.7-47.1179.6172.6-97.2000111.6L57 Q58 A64 L65 M86 F433 L454L57-Y61 VanDerWaalsContact O-CB 3.26Å; L57-Y61 WeakPolarHBondContact O-CB 3.41Å; L57-Y61 PolarHBondContact O-N 3.32Å; Q58-Y61 PolarHBondContact O-N 3.24Å; Y61-A64 PolarHBondContact O-N 2.94Å; Y61-L65 HydrophobicContact CE1-CD2 4.04Å; Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.27Å; Y61-M86 HydrophobicContact CE2-CE 3.79Å; Y61-M86 HydrophobicContact CE2-SD 3.81Å; Y61-F433 VanDerWaalsContact OH-CZ 3.24Å; Y61-F433 WeakPolarHBondContact OH-CZ 3.21Å; Y61-L454 HydrophobicContact CE1-CD1 4.38Å
62L96.6Very high94.7Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-67.1-41.3178.7-72.7173000112.1A6 L9 L13 Q58 L59 T60 A64 L65 M66 L450 L454A6-L62 HydrophobicContact CB-CD1 4.31Å; L9-L62 HydrophobicContact CB-CD1 3.75Å; L13-L62 HydrophobicContact CD1-CB 3.35Å; L13-L62 HydrophobicContact CD1-CD1 4.43Å; Q58-L62 HydrophobicContact CG-CD1 3.85Å; Q58-L62 HydrophobicContact CG-CG 4.29Å; Q58-L62 VanDerWaalsContact NE2-CG 3.33Å; Q58-L62 WeakPolarHBondContact O-CB 3.36Å; Q58-L62 VanDerWaalsContact O-CG 3.26Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 2.8Å; L59-L62 PolarHBondContact O-N 3.22Å; T60-L62 PolarHBondContact O-N 3.33Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.19Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-M66 HydrophobicContact CB-SD 4.29Å; L62-M66 WeakPolarHBondContact O-CB 3.42Å; L62-M66 VanDerWaalsContact O-CG 3.22Å; L62-M66 WeakPolarHBondContact O-CG 3.3Å; L62-M66 PolarHBondContact O-N 3.2Å; L62-L450 HydrophobicContact CD2-CD2 3.7Å; L62-L450 HydrophobicContact CD2-CG 4.23Å; L62-L454 HydrophobicContact CD2-CD1 3.65Å
63S94.8Very high94.2Very high0 Ų027.4 Ų27.40%015%0.146CC..Hα-helixtrans-58-45.9175.8-77.70000112.1L13 F18 G21 S22 L59 T60 S67L13-S63 WeakPolarHBondContact CD2-OG 3.44Å; F18-S63 WeakPolarHBondContact O-CB 3.48Å; F18-S63 PolarHBondContact O-OG 3.3Å; G21-S63 WeakPolarHBondContact CA-OG 3.33Å; S22-S63 PolarHBondContact N-OG 2.89Å; S22-S63 VanDerWaalsContact N-OG 3.09Å; S22-S63 WeakPolarHBondContact OG-CB 3.33Å; L59-S63 WeakPolarHBondContact O-CB 3.43Å; L59-S63 PolarHBondContact O-N 3.18Å; L59-S63 PolarHBondContact O-OG 3.05Å; T60-S63 PolarHBondContact O-N 3.48Å; S63-S67 WeakPolarHBondContact O-CB 3.49Å; S63-S67 PolarHBondContact O-N 3.29Å; S63-S67 PolarHBondContact O-OG 2.93Å
64A94.9Very high93.7Very high36 Ų3632.7 Ų32.730%0.29817%0.174SC..Hα-helixtrans-66.6-44178.600000112.2T60 Y61 L62 S67 V68 T85T60-A64 PolarHBondContact O-N 3.46Å; Y61-A64 PolarHBondContact O-N 2.94Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.19Å; A64-S67 PolarHBondContact O-OG 3.36Å; A64-V68 VanDerWaalsContact O-CG2 3.27Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.04Å; A64-T85 HydrophobicContact CB-CG2 4.4Å
65L95.8Very high93.2Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-67.1-50.7178.9175.854.9000111.9Y61 L62 S67 V68 T69 I82 M86 F433 P434 W446 L450Y61-L65 HydrophobicContact CE1-CD2 4.04Å; Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.27Å; L62-L65 PolarHBondContact O-N 3.09Å; L65-S67 PolarHBondContact O-N 3.42Å; L65-V68 PolarHBondContact O-N 2.98Å; L65-T69 HydrophobicContact CD1-CG2 3.97Å; L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.1Å; L65-T69 PolarHBondContact O-OG1 3.28Å; L65-I82 HydrophobicContact CD1-CD1 3.7Å; L65-M86 HydrophobicContact CB-CE 4.13Å; L65-M86 HydrophobicContact CD1-CE 3.52Å; L65-M86 HydrophobicContact CD2-CE 3.92Å; L65-M86 HydrophobicContact CG-CE 4.05Å; L65-F433 HydrophobicContact CD2-CE2 3.85Å; L65-F433 HydrophobicContact CD2-CZ 3.66Å; L65-P434 HydrophobicContact CD1-CB 4.38Å; L65-P434 HydrophobicContact CD1-CG 3.97Å; L65-P434 HydrophobicContact CD2-CG 4.49Å; L65-W446 HydrophobicContact CG-CZ2 4.48Å; L65-L450 HydrophobicContact CD2-CD1 4.24Å; L65-L450 HydrophobicContact CD2-CD2 4.25Å
66M95.6Very high92.8Very high2 Ų234.1 Ų34.11%0.0119%0.188CC..Hα-helixtrans-66.5-39.4-175.4-66.817871.200111.7C10 L13 D14 F18 L62 T69 A70 L450C10-M66 HydrophobicContact CB-CE 4.18Å; C10-M66 HydrophobicContact CB-SD 4.07Å; L13-M66 HydrophobicContact CB-CE 4.48Å; L13-M66 HydrophobicContact CB-SD 4.21Å; L13-M66 HydrophobicContact CD1-SD 3.8Å; D14-M66 WeakPolarHBondContact OD1-CE 3.37Å; F18-M66 HydrophobicContact CD1-CB 3.89Å; F18-M66 HydrophobicContact CE1-CB 3.37Å; F18-M66 HydrophobicContact CE1-CE 4.17Å; F18-M66 HydrophobicContact CE1-CG 4.47Å; F18-M66 HydrophobicContact CE1-SD 4.48Å; F18-M66 HydrophobicContact CZ-CB 3.98Å; L62-M66 HydrophobicContact CB-SD 4.29Å; L62-M66 WeakPolarHBondContact O-CB 3.42Å; L62-M66 VanDerWaalsContact O-CG 3.22Å; L62-M66 WeakPolarHBondContact O-CG 3.3Å; L62-M66 PolarHBondContact O-N 3.2Å; M66-T69 VanDerWaalsContact CA-OG1 3.25Å; M66-T69 WeakPolarHBondContact CA-OG1 3.48Å; M66-T69 PolarHBondContact O-N 3.34Å; M66-T69 PolarHBondContact O-OG1 3.44Å; M66-A70 WeakPolarHBondContact O-CB 3.41Å; M66-A70 PolarHBondContact O-N 2.85Å; M66-L450 HydrophobicContact CG-CD2 3.94Å; M66-L450 HydrophobicContact SD-CD2 4.34Å
67S93.5Very high92.5Very high11 Ų1140.9 Ų40.98%0.07721%0.214CC..Hα-helixtrans-58.7-49.4174.854.70000112.2S63 A64 L65 T69 A70 Q71 L133S63-S67 WeakPolarHBondContact O-CB 3.49Å; S63-S67 PolarHBondContact O-N 3.29Å; S63-S67 PolarHBondContact O-OG 2.93Å; A64-S67 PolarHBondContact O-OG 3.36Å; L65-S67 PolarHBondContact O-N 3.42Å; S67-T69 VanDerWaalsContact C-N 3.32Å; S67-T69 PolarHBondContact O-N 3.1Å; S67-A70 PolarHBondContact O-N 3.37Å; S67-Q71 PolarHBondContact O-N 3.39Å; S67-L133 VanDerWaalsContact CB-CD2 3.47Å; S67-L133 WeakPolarHBondContact O-CD2 3.47Å
68V94.1Very high92.4Very high26 Ų2637.7 Ų37.716%0.15820%0.197CC..Hα-helixtrans-63.9-40.4178.2172.60000110.7A64 L65 A70 Q71 F72 A81 I82 T85A64-V68 VanDerWaalsContact O-CG2 3.27Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.04Å; L65-V68 PolarHBondContact O-N 2.98Å; V68-A70 PolarHBondContact O-N 3.29Å; V68-Q71 PolarHBondContact O-N 2.96Å; V68-F72 HydrophobicContact CG1-CD2 4.05Å; V68-F72 WeakPolarHBondContact O-CD2 3.49Å; V68-F72 PolarHBondContact O-N 3.33Å; V68-A81 HydrophobicContact CG1-CB 3.8Å; V68-I82 HydrophobicContact CG1-CD1 4.39Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å; V68-T85 HydrophobicContact CG2-CG2 4.2Å; V68-T85 VanDerWaalsContact CG2-OG1 3.25Å; V68-T85 WeakPolarHBondContact CG2-OG1 3.21Å
69T93.9Very high92.2Very high2 Ų237.6 Ų37.61%0.01220%0.198CC..Hα-helixtrans-63.1-43.317757.50000112.6L65 M66 S67 Q71 F72 E73 F78 I82 W446L65-T69 HydrophobicContact CD1-CG2 3.97Å; L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.1Å; L65-T69 PolarHBondContact O-OG1 3.28Å; M66-T69 VanDerWaalsContact CA-OG1 3.25Å; M66-T69 WeakPolarHBondContact CA-OG1 3.48Å; M66-T69 PolarHBondContact O-N 3.34Å; M66-T69 PolarHBondContact O-OG1 3.44Å; S67-T69 VanDerWaalsContact C-N 3.32Å; S67-T69 PolarHBondContact O-N 3.1Å; T69-Q71 PolarHBondContact O-N 3.33Å; T69-F72 PolarHBondContact O-N 3.16Å; T69-E73 WeakPolarHBondContact O-CA 3.35Å; T69-E73 WeakPolarHBondContact O-CB 3.32Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.46Å; T69-F78 HydrophobicContact CG2-CE2 3.94Å; T69-F78 HydrophobicContact CG2-CZ 4.1Å; T69-I82 HydrophobicContact CG2-CD1 3.47Å; T69-I82 VanDerWaalsContact CG2-CD1 3.47Å; T69-W446 HydrophobicContact CG2-CH2 4.49Å; T69-W446 HydrophobicContact CG2-CZ2 3.65Å; T69-W446 PolarHBondContact OG1-NE1 3.49Å
70A90.5Very high92.2Very high32 Ų3239.1 Ų39.126%0.26421%0.205SC..Hα-helixtrans-62.9-30.9179.700000112.5F18 M66 S67 V68 L137F18-A70 HydrophobicContact CE2-CB 4.2Å; F18-A70 HydrophobicContact CZ-CB 4.48Å; M66-A70 WeakPolarHBondContact O-CB 3.41Å; M66-A70 PolarHBondContact O-N 2.85Å; S67-A70 PolarHBondContact O-N 3.37Å; V68-A70 PolarHBondContact O-N 3.29Å; A70-L137 HydrophobicContact CB-CD1 4.16Å
71Q89.6Confident92.3Very high114 Ų11438.8 Ų38.853%0.53321%0.205SC..Hα-helixtrans-84.6-37.7-180-171.5173-5.100113.1S67 V68 T69 L133S67-Q71 PolarHBondContact O-N 3.39Å; V68-Q71 PolarHBondContact O-N 2.96Å; T69-Q71 PolarHBondContact O-N 3.33Å; Q71-L133 HydrophobicContact CB-CD1 4.06Å; Q71-L133 HydrophobicContact CG-CD1 4.42Å
72F91.7Very high92.3Very high66 Ų6635.9 Ų35.929%0.28919%0.193SC..Hα-helixtrans-109.2-2.6-170-69.2-86000114.9V68 T69 N74 S75 F78 A81V68-F72 HydrophobicContact CG1-CD2 4.05Å; V68-F72 WeakPolarHBondContact O-CD2 3.49Å; V68-F72 PolarHBondContact O-N 3.33Å; T69-F72 PolarHBondContact O-N 3.16Å; F72-N74 PolarHBondContact O-N 3.04Å; F72-S75 VanDerWaalsContact O-CB 3.32Å; F72-S75 WeakPolarHBondContact O-CB 3.2Å; F72-S75 PolarHBondContact O-N 3.05Å; F72-F78 HydrophobicContact CB-CD2 4.09Å; F72-F78 WeakPolarHBondContact O-CB 3.43Å; F72-F78 WeakPolarHBondContact O-CD2 3.34Å; F72-A81 HydrophobicContact CB-CB 3.97Å; F72-A81 HydrophobicContact CD1-CB 4.17Å; F72-A81 HydrophobicContact CD2-CB 3.94Å; F72-A81 HydrophobicContact CG-CB 3.76Å
73E85.9Confident92.3Very high52 Ų5235.9 Ų35.924%0.24319%0.193CC..THydrogen-bonded Turntrans-50.8-34.9-177.551.3164.8-142.100114.1T69 T443T69-E73 WeakPolarHBondContact O-CA 3.35Å; T69-E73 WeakPolarHBondContact O-CB 3.32Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.46Å; E73-T443 WeakPolarHBondContact OE2-CB 3.37Å; E73-T443 WeakPolarHBondContact OE2-CG2 3.37Å
74N84.7Confident92.4Very high124 Ų12440.7 Ų40.766%0.66322%0.218SC*.THydrogen-bonded Turntrans-94.1-5.1-178.4-65.2-54.4000113.5F72F72-N74 PolarHBondContact O-N 3.04Å
75S87.2Confident92.4Very high41 Ų4141.1 Ų41.129%0.28722%0.217SC..SBendtrans-85147.9-177.9-173.90000112.1F72 Y77 F78F72-S75 VanDerWaalsContact O-CB 3.32Å; F72-S75 WeakPolarHBondContact O-CB 3.2Å; F72-S75 PolarHBondContact O-N 3.05Å; S75-Y77 PolarHBondContact O-N 3.05Å; S75-Y77 PolarHBondContact OG-N 3.47Å; S75-F78 WeakPolarHBondContact O-CB 3.3Å; S75-F78 PolarHBondContact O-N 3.35Å
76S86.8Confident92.3Very high44 Ų4441.4 Ų41.431%0.30822%0.219SC..THydrogen-bonded Turntrans-63.3-22.4168.655.50000112.2F78 S326 D330S76-F78 VanDerWaalsContact C-N 3.27Å; S76-F78 PolarHBondContact O-N 2.89Å; S76-S326 WeakPolarHBondContact O-CA 3.35Å; S76-S326 PolarHBondContact O-OG 3.03Å; S76-D330 WeakPolarHBondContact CB-OD2 3.34Å
77Y90.3Very high92.3Very high142 Ų14241.9 Ų41.956%0.55722%0.222SC*.THydrogen-bonded Turntrans-86.910179-54.1-71.2000113.9S75 G79 L80 A81 S326S75-Y77 PolarHBondContact O-N 3.05Å; S75-Y77 PolarHBondContact OG-N 3.47Å; Y77-G79 PolarHBondContact O-N 2.78Å; Y77-L80 PolarHBondContact O-N 3.44Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; Y77-A81 PolarHBondContact O-N 3.22Å; Y77-S326 WeakPolarHBondContact CA-OG 3.25Å
78F92.6Very high92.3Very high8 Ų843.8 Ų43.84%0.03524%0.243CC..Hα-helixtrans-54.4-48.4-176.7-179.3-122.8000113T69 F72 S75 S76 L80 A81 I82 Q435 I438T69-F78 HydrophobicContact CG2-CE2 3.94Å; T69-F78 HydrophobicContact CG2-CZ 4.1Å; F72-F78 HydrophobicContact CB-CD2 4.09Å; F72-F78 WeakPolarHBondContact O-CB 3.43Å; F72-F78 WeakPolarHBondContact O-CD2 3.34Å; S75-F78 WeakPolarHBondContact O-CB 3.3Å; S75-F78 PolarHBondContact O-N 3.35Å; S76-F78 VanDerWaalsContact C-N 3.27Å; S76-F78 PolarHBondContact O-N 2.89Å; F78-L80 VanDerWaalsContact C-N 3.32Å; F78-L80 PolarHBondContact O-N 3.35Å; F78-A81 PolarHBondContact O-N 3.31Å; F78-I82 HydrophobicContact CD2-CG1 4.17Å; F78-I82 HydrophobicContact CE1-CG1 4.4Å; F78-I82 HydrophobicContact CE2-CD1 3.81Å; F78-I82 HydrophobicContact CE2-CG1 3.7Å; F78-I82 HydrophobicContact CZ-CD1 4.04Å; F78-I82 HydrophobicContact CZ-CG1 3.83Å; F78-I82 WeakPolarHBondContact O-CG1 3.44Å; F78-I82 PolarHBondContact O-N 3.14Å; F78-Q435 HydrophobicContact CD1-CG 3.95Å; F78-Q435 HydrophobicContact CE1-CB 4.33Å; F78-Q435 HydrophobicContact CE1-CG 3.63Å; F78-I438 HydrophobicContact CE1-CD1 4.02Å; F78-I438 HydrophobicContact CE2-CD1 4.34Å; F78-I438 HydrophobicContact CZ-CD1 3.54Å
79G93.3Very high92.1Very high2 Ų245 Ų452%0.02125%0.253CS..Hα-helixtrans-58.7-42.6178.300000112.9Y77 I82 G83 G322 T325Y77-G79 PolarHBondContact O-N 2.78Å; G79-I82 PolarHBondContact O-N 3.47Å; G79-G83 PolarHBondContact O-N 3.39Å; G79-G322 CarbonylContact C-O 3.41Å; G79-G322 WeakPolarHBondContact O-CA 3.39Å; G79-T325 WeakPolarHBondContact CA-OG1 3.5Å
80L94.9Very high92.1Very high41 Ų4145 Ų4522%0.21525%0.253CS..Hα-helixtrans-68.9-40.9179.6179.960000111.6Y77 F78 I82 G83 L84 G322 L323Y77-L80 PolarHBondContact O-N 3.44Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; F78-L80 VanDerWaalsContact C-N 3.32Å; F78-L80 PolarHBondContact O-N 3.35Å; L80-I82 PolarHBondContact O-N 2.64Å; L80-G83 PolarHBondContact O-N 3.47Å; L80-L84 HydrophobicContact CD1-CD1 4.32Å; L80-L84 HydrophobicContact CD1-CG 4.24Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 HydrophobicContact CG-CG 4.49Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.33Å; L80-G322 PolarHBondContact N-O 3.29Å; L80-L323 HydrophobicContact CD1-CD2 3.62Å; L80-L323 HydrophobicContact CD1-CG 3.9Å; L80-L323 HydrophobicContact CD2-CD2 4.14Å; L80-L323 HydrophobicContact CG-CD2 4.44Å
81A95.8Very high92.2Very high11 Ų1147 Ų479%0.09126%0.262CS..Hα-helixtrans-59.5-47176.300000111V68 F72 Y77 F78 L84 T85V68-A81 HydrophobicContact CG1-CB 3.8Å; F72-A81 HydrophobicContact CB-CB 3.97Å; F72-A81 HydrophobicContact CD1-CB 4.17Å; F72-A81 HydrophobicContact CD2-CB 3.94Å; F72-A81 HydrophobicContact CG-CB 3.76Å; Y77-A81 PolarHBondContact O-N 3.22Å; F78-A81 PolarHBondContact O-N 3.31Å; A81-L84 PolarHBondContact O-N 3.19Å; A81-T85 PolarHBondContact O-N 3.09Å; A81-T85 PolarHBondContact O-OG1 3.26Å
82I96.1Very high92.3Very high0 Ų043 Ų430%025%0.251CS..Hα-helixtrans-62.1-44.3174.7-62.8-64.1000111.5L65 V68 T69 F78 G79 L80 L84 T85 M86 V431 P434L65-I82 HydrophobicContact CD1-CD1 3.7Å; V68-I82 HydrophobicContact CG1-CD1 4.39Å; T69-I82 HydrophobicContact CG2-CD1 3.47Å; T69-I82 VanDerWaalsContact CG2-CD1 3.47Å; F78-I82 HydrophobicContact CD2-CG1 4.17Å; F78-I82 HydrophobicContact CE1-CG1 4.4Å; F78-I82 HydrophobicContact CE2-CD1 3.81Å; F78-I82 HydrophobicContact CE2-CG1 3.7Å; F78-I82 HydrophobicContact CZ-CD1 4.04Å; F78-I82 HydrophobicContact CZ-CG1 3.83Å; F78-I82 WeakPolarHBondContact O-CG1 3.44Å; F78-I82 PolarHBondContact O-N 3.14Å; G79-I82 PolarHBondContact O-N 3.47Å; L80-I82 PolarHBondContact O-N 2.64Å; I82-L84 PolarHBondContact O-N 2.94Å; I82-T85 PolarHBondContact O-N 2.92Å; I82-M86 HydrophobicContact CG2-CG 4.34Å; I82-M86 WeakPolarHBondContact O-CB 3.42Å; I82-M86 VanDerWaalsContact O-CG 3.23Å; I82-M86 WeakPolarHBondContact O-CG 3.49Å; I82-M86 PolarHBondContact O-N 2.92Å; I82-V431 HydrophobicContact CG2-CG1 4.37Å; I82-P434 HydrophobicContact CD1-CB 4.13Å; I82-P434 HydrophobicContact CD1-CG 4.43Å; I82-P434 HydrophobicContact CG1-CB 4.42Å; I82-P434 HydrophobicContact CG2-CB 4.33Å; I82-P434 HydrophobicContact CG2-CG 3.82Å
83G96.5Very high92.2Very high0 Ų040.3 Ų40.30%024%0.242CC..Hα-helixtrans-53.9-51.9174.900000112.2G79 L80 M86 C87 Q318G79-G83 PolarHBondContact O-N 3.39Å; L80-G83 PolarHBondContact O-N 3.47Å; G83-M86 PolarHBondContact O-N 3.45Å; G83-C87 PolarHBondContact O-N 3.15Å; G83-C87 PolarHBondContact O-SG 3.33Å; G83-Q318 VanDerWaalsContact CA-O 3.31Å; G83-Q318 WeakPolarHBondContact CA-O 3.48Å
84L96.3Very high92.3Very high101 Ų10141.4 Ų41.453%0.52925%0.245SC..Hα-helixtrans-63.4-41.9179-73.2170.5000112.8L80 A81 I82 M86 C87 L319L80-L84 HydrophobicContact CD1-CD1 4.32Å; L80-L84 HydrophobicContact CD1-CG 4.24Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 HydrophobicContact CG-CG 4.49Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.33Å; A81-L84 PolarHBondContact O-N 3.19Å; I82-L84 PolarHBondContact O-N 2.94Å; L84-M86 VanDerWaalsContact C-N 3.28Å; L84-M86 PolarHBondContact O-N 3.49Å; L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.19Å; L84-L319 HydrophobicContact CD2-CD2 3.72Å
85T95.1Very high92.3Very high44 Ų4437.9 Ų37.927%0.2723%0.234SC..Hα-helixtrans-61-39.9175.3-58.40000111.4A64 V68 A81 I82A64-T85 HydrophobicContact CB-CG2 4.4Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å; V68-T85 HydrophobicContact CG2-CG2 4.2Å; V68-T85 VanDerWaalsContact CG2-OG1 3.25Å; V68-T85 WeakPolarHBondContact CG2-OG1 3.21Å; A81-T85 PolarHBondContact O-N 3.09Å; A81-T85 PolarHBondContact O-OG1 3.26Å; I82-T85 PolarHBondContact O-N 2.92Å
86M94.9Very high92.2Very high6 Ų638.7 Ų38.73%0.0324%0.239CC..Hα-helixtrans-74.8-26.2-179.4-67.8-64.8147.100113.2Y61 L65 I82 G83 L84 G88 S89 Q318Y61-M86 HydrophobicContact CE2-CE 3.79Å; Y61-M86 HydrophobicContact CE2-SD 3.81Å; L65-M86 HydrophobicContact CB-CE 4.13Å; L65-M86 HydrophobicContact CD1-CE 3.52Å; L65-M86 HydrophobicContact CD2-CE 3.92Å; L65-M86 HydrophobicContact CG-CE 4.05Å; I82-M86 HydrophobicContact CG2-CG 4.34Å; I82-M86 WeakPolarHBondContact O-CB 3.42Å; I82-M86 VanDerWaalsContact O-CG 3.23Å; I82-M86 WeakPolarHBondContact O-CG 3.49Å; I82-M86 PolarHBondContact O-N 2.92Å; G83-M86 PolarHBondContact O-N 3.45Å; L84-M86 VanDerWaalsContact C-N 3.28Å; L84-M86 PolarHBondContact O-N 3.49Å; M86-G88 PolarHBondContact O-N 2.96Å; M86-S89 WeakPolarHBondContact O-CB 3.3Å; M86-S89 PolarHBondContact O-N 3.19Å; M86-S89 PolarHBondContact O-OG 3.36Å; M86-Q318 HydrophobicContact CB-CB 4.42Å; M86-Q318 HydrophobicContact CB-CG 3.92Å; M86-Q318 PolarHBondContact O-NE2 2.83Å; M86-Q318 PolarHBondContact O-OE1 3.29Å
87C95.4Very high91.9Very high13 Ų1339.2 Ų39.29%0.08824%0.239CC..Hα-helixtrans-50.5-30.3179.1-73.40000113.6G83 L84 S89 G90 V91 L315 Q318 L319G83-C87 PolarHBondContact O-N 3.15Å; G83-C87 PolarHBondContact O-SG 3.33Å; L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.19Å; C87-S89 PolarHBondContact O-N 2.93Å; C87-G90 PolarHBondContact O-N 3.4Å; C87-V91 WeakPolarHBondContact O-CG2 3.44Å; C87-V91 PolarHBondContact O-N 3.32Å; C87-L315 HydrophobicContact CB-CD1 3.63Å; C87-Q318 VanDerWaalsContact N-OE1 3.16Å; C87-L319 WeakPolarHBondContact SG-CD2 3.41Å; C87-L319 VanDerWaalsContact SG-CG 3.55Å
88G92.1Very high91.4Very high50 Ų5038.1 Ų38.152%0.51523%0.234SC..Hα-helixtrans-54.3-34.2174.900000113.3M86 G92M86-G88 PolarHBondContact O-N 2.96Å; G88-G92 WeakPolarHBondContact O-CA 3.49Å; G88-G92 PolarHBondContact O-N 3.38Å
89S91.7Very high91Very high53 Ų5341.1 Ų41.137%0.37125%0.251SS..Hα-helixtrans-71.2-38.6175.564.50000113.3M86 C87 A93 Q318M86-S89 WeakPolarHBondContact O-CB 3.3Å; M86-S89 PolarHBondContact O-N 3.19Å; M86-S89 PolarHBondContact O-OG 3.36Å; C87-S89 PolarHBondContact O-N 2.93Å; S89-A93 WeakPolarHBondContact O-CB 3.41Å; S89-A93 PolarHBondContact O-N 2.74Å; S89-Q318 PolarHBondContact OG-NE2 3.47Å
90G92.4Very high90.7Very high0 Ų044.4 Ų44.40%027%0.267CS..Hα-helixtrans-67.9-47.2175.700000112.3C87 G92 A93 F94 G311C87-G90 PolarHBondContact O-N 3.4Å; G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 2.88Å; G90-A93 PolarHBondContact O-N 2.88Å; G90-F94 WeakPolarHBondContact O-CB 3.34Å; G90-F94 PolarHBondContact O-N 3.42Å; G90-G311 WeakPolarHBondContact CA-O 3.28Å
91V93.6Very high90Very high74 Ų7444.9 Ų44.945%0.44828%0.277SS..Hα-helixtrans-59.7-45.5173.4176.70000110.5C87 F94 A95 L315C87-V91 WeakPolarHBondContact O-CG2 3.44Å; C87-V91 PolarHBondContact O-N 3.32Å; V91-F94 PolarHBondContact O-N 3.48Å; V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.5Å; V91-L315 HydrophobicContact CG2-CD1 3.88Å; V91-L315 HydrophobicContact CG2-CD2 4.04Å
92G90.6Very high89.4Confident31 Ų3150.5 Ų50.532%0.3230%0.296SS..Hα-helixtrans-53.2-61.3175.400000110.9G88 G90 F94 A95 S96G88-G92 WeakPolarHBondContact O-CA 3.49Å; G88-G92 PolarHBondContact O-N 3.38Å; G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 2.88Å; G92-F94 VanDerWaalsContact C-N 3.31Å; G92-F94 PolarHBondContact O-N 2.86Å; G92-A95 PolarHBondContact O-N 3.36Å; G92-S96 WeakPolarHBondContact O-CA 3.49Å; G92-S96 WeakPolarHBondContact O-CB 3.48Å; G92-S96 PolarHBondContact O-N 3.29Å; G92-S96 PolarHBondContact O-OG 3.44Å
93A89.3Confident89.2Confident10 Ų1051.1 Ų51.18%0.08330%0.299CS..Hα-helixtrans-61.2-34.9-177.200000114.3S89 G90 N97 W275S89-A93 WeakPolarHBondContact O-CB 3.41Å; S89-A93 PolarHBondContact O-N 2.74Å; G90-A93 PolarHBondContact O-N 2.88Å; A93-N97 PolarHBondContact O-ND2 3.32Å; A93-W275 HydrophobicContact CB-CH2 3.4Å; A93-W275 VanDerWaalsContact CB-CH2 3.4Å; A93-W275 HydrophobicContact CB-CZ2 3.9Å; A93-W275 HydrophobicContact CB-CZ3 4.47Å
94F88.3Confident88.9Confident74 Ų7455 Ų5533%0.32532%0.32SS..Hα-helixtrans-68.7-50176.1175.8-111000112G90 V91 G92 W305 S308 F312G90-F94 WeakPolarHBondContact O-CB 3.34Å; G90-F94 PolarHBondContact O-N 3.42Å; V91-F94 PolarHBondContact O-N 3.48Å; G92-F94 VanDerWaalsContact C-N 3.31Å; G92-F94 PolarHBondContact O-N 2.86Å; F94-W305 AromaticContact CE2-CZ3 3.96Å; F94-W305 HydrophobicContact CE2-CZ3 3.96Å; F94-W305 HydrophobicContact CZ-CZ3 4.35Å; F94-S308 WeakPolarHBondContact CD2-O 3.41Å; F94-F312 HydrophobicContact CD2-CB 3.92Å; F94-F312 HydrophobicContact CE2-CB 4.38Å; F94-F312 HydrophobicContact CG-CB 4.47Å
95A86.2Confident88.5Confident51 Ų5154.4 Ų54.442%0.42132%0.324SS..Hα-helixtrans-82.4-38.3-174.300000113.3V91 G92 N97 L99V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.5Å; G92-A95 PolarHBondContact O-N 3.36Å; A95-N97 PolarHBondContact O-N 3.14Å; A95-L99 VanDerWaalsContact O-CB 3.32Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.35Å
96S84.7Confident88.4Confident57 Ų5757.2 Ų57.240%0.39934%0.336SS..Hα-helixtrans-66.6-36.1-174.371.70000112.1G92 L99 L100G92-S96 WeakPolarHBondContact O-CA 3.49Å; G92-S96 WeakPolarHBondContact O-CB 3.48Å; G92-S96 PolarHBondContact O-N 3.29Å; G92-S96 PolarHBondContact O-OG 3.44Å; S96-L99 PolarHBondContact O-N 3.31Å; S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 PolarHBondContact O-N 2.99Å
97N79.4Confident88.3Confident56 Ų5662 Ų6230%0.29935%0.354SS..Hα-helixtrans-64.3-47.6-178.8-72.9-14.6000111.5A93 A95 L100 A101A93-N97 PolarHBondContact O-ND2 3.32Å; A95-N97 PolarHBondContact O-N 3.14Å; N97-L100 PolarHBondContact O-N 2.68Å; N97-A101 WeakPolarHBondContact O-CB 3.32Å; N97-A101 PolarHBondContact O-N 3Å
98Y79.8Confident88.3Confident118 Ų11865 Ų6546%0.46337%0.372SS..Hα-helixtrans-65.7-45.7176-178.6-92.9000111.7L100 A101 W102Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 3Å; Y98-A101 PolarHBondContact O-N 3.14Å; Y98-W102 WeakPolarHBondContact O-CB 3.37Å; Y98-W102 PolarHBondContact O-N 3.3Å
99L85.5Confident88.4Confident72 Ų7268.3 Ų68.338%0.37737%0.369SS..Hα-helixtrans-57-46.9177.117864.7000110.9A95 S96 W102 L103A95-L99 VanDerWaalsContact O-CB 3.32Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.35Å; S96-L99 PolarHBondContact O-N 3.31Å; L99-W102 HydrophobicContact CD1-CE3 3.97Å; L99-W102 HydrophobicContact CD1-CZ3 4.19Å; L99-W102 PolarHBondContact O-N 2.87Å; L99-L103 HydrophobicContact CD1-CD1 4.07Å; L99-L103 HydrophobicContact CD1-CG 4.16Å; L99-L103 HydrophobicContact CD2-CD1 4.5Å; L99-L103 HydrophobicContact CG-CD1 3.82Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.39Å
100L85.6Confident88.5Confident71 Ų7169.6 Ų69.637%0.37237%0.366SS..Hα-helixtrans-65.1-43.4-179.3-169.973.5000111.7S96 N97 Y98 W102 L103 L104 V112S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 PolarHBondContact O-N 2.99Å; N97-L100 PolarHBondContact O-N 2.68Å; Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 3Å; L100-W102 VanDerWaalsContact C-N 3.35Å; L100-W102 PolarHBondContact O-N 2.99Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-L104 HydrophobicContact CD2-CD1 4.45Å; L100-L104 HydrophobicContact CG-CD1 3.95Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 2.91Å; L100-V112 HydrophobicContact CD1-CG1 3.45Å; L100-V112 VanDerWaalsContact CD1-CG1 3.45Å
101A80.7Confident88.7Confident51 Ų5173.9 Ų73.942%0.42139%0.386SS..Hα-helixtrans-60.9-43.7176.100000111.8N97 Y98 L104 S105N97-A101 WeakPolarHBondContact O-CB 3.32Å; N97-A101 PolarHBondContact O-N 3Å; Y98-A101 PolarHBondContact O-N 3.14Å; A101-L104 PolarHBondContact O-N 3.39Å; A101-S105 PolarHBondContact O-N 3.27Å; A101-S105 VanDerWaalsContact O-N 3.15Å
102W84.3Confident88.7Confident129 Ų12970.5 Ų70.549%0.48937%0.365SS..Hα-helixtrans-64.4-45.7175.6173.766.8000112.1Y98 L99 L100 L104 S105 I106Y98-W102 WeakPolarHBondContact O-CB 3.37Å; Y98-W102 PolarHBondContact O-N 3.3Å; L99-W102 HydrophobicContact CD1-CE3 3.97Å; L99-W102 HydrophobicContact CD1-CZ3 4.19Å; L99-W102 PolarHBondContact O-N 2.87Å; L100-W102 VanDerWaalsContact C-N 3.35Å; L100-W102 PolarHBondContact O-N 2.99Å; W102-L104 VanDerWaalsContact C-N 3.34Å; W102-L104 PolarHBondContact O-N 3.24Å; W102-S105 WeakPolarHBondContact O-CB 3.17Å; W102-S105 PolarHBondContact O-N 3.37Å; W102-S105 VanDerWaalsContact O-N 3.12Å; W102-S105 PolarHBondContact O-OG 3.11Å; W102-I106 HydrophobicContact CZ2-CD1 4.04Å
103L90.3Very high88.9Confident12 Ų1269.9 Ų69.96%0.06336%0.355CS..Hα-helixtrans-60.1-43.9177.3-70.8171.7000111.7L99 L100 S105 I106 W107 V112L99-L103 HydrophobicContact CD1-CD1 4.07Å; L99-L103 HydrophobicContact CD1-CG 4.16Å; L99-L103 HydrophobicContact CD2-CD1 4.5Å; L99-L103 HydrophobicContact CG-CD1 3.82Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 3.49Å; L103-S105 PolarHBondContact O-N 3.43Å; L103-I106 PolarHBondContact O-N 3.26Å; L103-W107 HydrophobicContact CB-CE3 4.48Å; L103-W107 HydrophobicContact CD2-CE3 3.45Å; L103-W107 VanDerWaalsContact CD2-CE3 3.45Å; L103-W107 HydrophobicContact CD2-CH2 4.47Å; L103-W107 HydrophobicContact CD2-CZ3 3.23Å; L103-W107 WeakPolarHBondContact O-CB 3.48Å; L103-W107 PolarHBondContact O-N 3.24Å; L103-V112 HydrophobicContact CB-CG1 4.08Å; L103-V112 HydrophobicContact CB-CG2 3.79Å; L103-V112 HydrophobicContact CD1-CG1 4.24Å
104L90Very high89.3Confident82 Ų8272.7 Ų72.743%0.42937%0.368SS..Hα-helixtrans-69.1-17.2178.1-71.4171.1000113.6L100 A101 W102 I106 W107 W109 V112L100-L104 HydrophobicContact CD2-CD1 4.45Å; L100-L104 HydrophobicContact CG-CD1 3.95Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 3.39Å; W102-L104 VanDerWaalsContact C-N 3.34Å; W102-L104 PolarHBondContact O-N 3.24Å; L104-I106 VanDerWaalsContact C-N 3.31Å; L104-W107 CarbonylContact C-O 3.47Å; L104-W107 WeakPolarHBondContact CA-O 3.3Å; L104-W109 HydrophobicContact CD2-CB 3.95Å; L104-V112 HydrophobicContact CD2-CB 4.14Å; L104-V112 HydrophobicContact CD2-CG1 4.39Å; L104-V112 HydrophobicContact CD2-CG2 3.83Å; L104-V112 HydrophobicContact CG-CG2 4.25Å
105S88.2Confident89.6Confident88 Ų8871.7 Ų71.762%0.61537%0.365SS*.Hα-helixtrans-75.4-21.2174.377.20000113.2A101 W102 L103A101-S105 PolarHBondContact O-N 3.27Å; A101-S105 VanDerWaalsContact O-N 3.15Å; W102-S105 WeakPolarHBondContact O-CB 3.17Å; W102-S105 PolarHBondContact O-N 3.37Å; W102-S105 VanDerWaalsContact O-N 3.12Å; W102-S105 PolarHBondContact O-OG 3.11Å; L103-S105 PolarHBondContact O-N 3.43Å
106I92.6Very high89.9Confident103 Ų10372.8 Ų72.853%0.52836%0.362SS..Hα-helixtrans-113.9-36.7-176.1-55.7165.9000111.2W102 L103 L104W102-I106 HydrophobicContact CZ2-CD1 4.04Å; L103-I106 PolarHBondContact O-N 3.26Å; L104-I106 VanDerWaalsContact C-N 3.31Å
107W94.1Very high90.4Very high107 Ų10770.2 Ų70.241%0.40534%0.343SS..SBendtrans-117.9155.7-174.7-67.8-42.9000112.2L103 L104 E111 V112 I115L103-W107 HydrophobicContact CB-CE3 4.48Å; L103-W107 HydrophobicContact CD2-CE3 3.45Å; L103-W107 VanDerWaalsContact CD2-CE3 3.45Å; L103-W107 HydrophobicContact CD2-CH2 4.47Å; L103-W107 HydrophobicContact CD2-CZ3 3.23Å; L103-W107 WeakPolarHBondContact O-CB 3.48Å; L103-W107 PolarHBondContact O-N 3.24Å; L104-W107 CarbonylContact C-O 3.47Å; L104-W107 WeakPolarHBondContact CA-O 3.3Å; W107-E111 HydrophobicContact CB-CB 4.06Å; W107-V112 HydrophobicContact CB-CG2 3.87Å; W107-I115 HydrophobicContact CD2-CD1 3.93Å; W107-I115 HydrophobicContact CE3-CD1 3.25Å; W107-I115 HydrophobicContact CH2-CD1 3.81Å; W107-I115 HydrophobicContact CZ2-CD1 4.41Å; W107-I115 HydrophobicContact CZ3-CD1 3.18Å
108T94.5Very high91.2Very high76 Ų7670.2 Ų70.247%0.46635%0.351SS..  trans-71.3155.6174.764.60000111R110 E111 V112T108-R110 PolarHBondContact O-N 3.06Å; T108-E111 PolarHBondContact N-OE2 3.25Å; T108-E111 PolarHBondContact O-N 2.83Å; T108-E111 VanDerWaalsContact OG1-CD 3.27Å; T108-E111 WeakPolarHBondContact OG1-CG 3.38Å; T108-E111 PolarHBondContact OG1-N 3.16Å; T108-E111 PolarHBondContact OG1-OE2 3.2Å; T108-V112 WeakPolarHBondContact O-CG2 3.35Å; T108-V112 PolarHBondContact O-N 2.88Å
109W93.6Very high91.9Very high119 Ų11968.8 Ų68.845%0.45135%0.351SS..Hα-helixtrans-54.5-29177.967.8-93.8000113.7L104 L113L104-W109 HydrophobicContact CD2-CB 3.95Å; W109-L113 HydrophobicContact CE3-CD1 3.62Å; W109-L113 HydrophobicContact CZ3-CD1 3.67Å; W109-L113 VanDerWaalsContact O-CG 3.31Å; W109-L113 WeakPolarHBondContact O-CG 3.45Å; W109-L113 PolarHBondContact O-N 3.3Å
110R95.5Very high92.2Very high80 Ų8066.7 Ų66.730%0.30234%0.34SS..Hα-helixtrans-69.3-47.2176.3-65.7-177.9177.1-77.80.1112.1S37 A39 T108 V112 L113 L114S37-R110 VanDerWaalsContact CB-O 3.25Å; S37-R110 WeakPolarHBondContact CB-O 3.48Å; S37-R110 WeakPolarHBondContact O-CB 3.44Å; S37-R110 WeakPolarHBondContact O-CG 3.44Å; S37-R110 PolarHBondContact O-NH1 3.01Å; A39-R110 VanDerWaalsContact O-CZ 3.25Å; A39-R110 PolarHBondContact O-NH1 3.32Å; A39-R110 PolarHBondContact O-NH2 3.01Å; T108-R110 PolarHBondContact O-N 3.06Å; R110-V112 VanDerWaalsContact C-N 3.31Å; R110-L113 PolarHBondContact O-N 3.41Å; R110-L114 PolarHBondContact O-N 3.43Å; R110-L114 VanDerWaalsContact O-N 3.12Å
111E95Very high92.5Very high91 Ų9166.3 Ų66.343%0.42534%0.338SS..Hα-helixtrans-65.6-38.6177.2-68.1162.1149.900110.7W107 T108 L114 I115W107-E111 HydrophobicContact CB-CB 4.06Å; T108-E111 PolarHBondContact N-OE2 3.25Å; T108-E111 PolarHBondContact O-N 2.83Å; T108-E111 VanDerWaalsContact OG1-CD 3.27Å; T108-E111 WeakPolarHBondContact OG1-CG 3.38Å; T108-E111 PolarHBondContact OG1-N 3.16Å; T108-E111 PolarHBondContact OG1-OE2 3.2Å; E111-L114 WeakPolarHBondContact O-CB 3.49Å; E111-L114 PolarHBondContact O-N 3.49Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 3.45Å
112V95Very high93.1Very high3 Ų369.2 Ų69.22%0.01835%0.346CS..Hα-helixtrans-62.6-43.8174.9176.40000111.6L100 L103 L104 W107 T108 R110 L114 I115 E116L100-V112 HydrophobicContact CD1-CG1 3.45Å; L100-V112 VanDerWaalsContact CD1-CG1 3.45Å; L103-V112 HydrophobicContact CB-CG1 4.08Å; L103-V112 HydrophobicContact CB-CG2 3.79Å; L103-V112 HydrophobicContact CD1-CG1 4.24Å; L104-V112 HydrophobicContact CD2-CB 4.14Å; L104-V112 HydrophobicContact CD2-CG1 4.39Å; L104-V112 HydrophobicContact CD2-CG2 3.83Å; L104-V112 HydrophobicContact CG-CG2 4.25Å; W107-V112 HydrophobicContact CB-CG2 3.87Å; T108-V112 WeakPolarHBondContact O-CG2 3.35Å; T108-V112 PolarHBondContact O-N 2.88Å; R110-V112 VanDerWaalsContact C-N 3.31Å; V112-L114 VanDerWaalsContact C-N 3.27Å; V112-L114 PolarHBondContact O-N 2.89Å; V112-I115 PolarHBondContact O-N 2.9Å; V112-E116 WeakPolarHBondContact O-CB 3.27Å; V112-E116 PolarHBondContact O-N 2.96Å
113L95.3Very high93.4Very high18 Ų1864.9 Ų64.99%0.09433%0.332CS..Hα-helixtrans-60.6-35.5173.6-77.3174.6000112.8L49 W109 R110 S117L49-L113 HydrophobicContact CD1-CD2 4.41Å; W109-L113 HydrophobicContact CE3-CD1 3.62Å; W109-L113 HydrophobicContact CZ3-CD1 3.67Å; W109-L113 VanDerWaalsContact O-CG 3.31Å; W109-L113 WeakPolarHBondContact O-CG 3.45Å; W109-L113 PolarHBondContact O-N 3.3Å; R110-L113 PolarHBondContact O-N 3.41Å; L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 2.98Å
114L95.8Very high93.4Very high69 Ų6967 Ų6736%0.36134%0.343SS..Hα-helixtrans-65.1-46.2175.7-172.376.5000110.8F34 F38 R110 E111 V112 S117 A118F34-L114 HydrophobicContact CD2-CD1 3.56Å; F34-L114 HydrophobicContact CE2-CD1 3.62Å; F38-L114 HydrophobicContact CE2-CD1 4.26Å; F38-L114 HydrophobicContact CZ-CD1 4.33Å; R110-L114 PolarHBondContact O-N 3.43Å; R110-L114 VanDerWaalsContact O-N 3.12Å; E111-L114 WeakPolarHBondContact O-CB 3.49Å; E111-L114 PolarHBondContact O-N 3.49Å; V112-L114 VanDerWaalsContact C-N 3.27Å; V112-L114 PolarHBondContact O-N 2.89Å; L114-S117 WeakPolarHBondContact O-CB 3.3Å; L114-S117 PolarHBondContact O-N 3.37Å; L114-S117 PolarHBondContact O-OG 3.24Å; L114-A118 PolarHBondContact O-N 3.11Å
115I95.4Very high93.4Very high52 Ų5267.4 Ų67.427%0.26735%0.349SS..Hα-helixtrans-64-44.5176.9-65.8170.7000110.7W107 E111 V112 S117 A118 I119W107-I115 HydrophobicContact CD2-CD1 3.93Å; W107-I115 HydrophobicContact CE3-CD1 3.25Å; W107-I115 HydrophobicContact CH2-CD1 3.81Å; W107-I115 HydrophobicContact CZ2-CD1 4.41Å; W107-I115 HydrophobicContact CZ3-CD1 3.18Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 3.45Å; V112-I115 PolarHBondContact O-N 2.9Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 3.29Å; I115-A118 WeakPolarHBondContact O-CB 3.24Å; I115-A118 PolarHBondContact O-N 3.49Å; I115-A118 VanDerWaalsContact O-N 3.1Å; I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 WeakPolarHBondContact O-CG1 3.47Å; I115-I119 PolarHBondContact O-N 3.16Å
116E93.1Very high93.3Very high75 Ų7566 Ų6635%0.3534%0.337SS..Hα-helixtrans-58.9-40.9176.2-172.6178.6-176.100111.3V112 A118 I119 L120V112-E116 WeakPolarHBondContact O-CB 3.27Å; V112-E116 PolarHBondContact O-N 2.96Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 2.76Å; E116-I119 PolarHBondContact O-N 3.48Å; E116-I119 VanDerWaalsContact O-N 3.17Å; E116-L120 HydrophobicContact CG-CD1 4.14Å; E116-L120 HydrophobicContact CG-CG 4.36Å; E116-L120 WeakPolarHBondContact O-CB 3.22Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.42Å; E116-L120 PolarHBondContact O-N 2.9Å
117S95.7Very high92.9Very high2 Ų261 Ų611%0.01431%0.311CS..Hα-helixtrans-57.1-44175.181.70000111.7W30 L113 L114 I115 L120 L121W30-S117 VanDerWaalsContact CD1-O 3.3Å; L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 2.98Å; L114-S117 WeakPolarHBondContact O-CB 3.3Å; L114-S117 PolarHBondContact O-N 3.37Å; L114-S117 PolarHBondContact O-OG 3.24Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 3.29Å; S117-L120 PolarHBondContact O-N 2.93Å; S117-L121 PolarHBondContact O-N 3.5Å
118A95.7Very high92.3Very high56 Ų5658.8 Ų58.846%0.46331%0.312SS..Hα-helixtrans-66.6-38.2178.600000112L114 I115 E116 L121 N122L114-A118 PolarHBondContact O-N 3.11Å; I115-A118 WeakPolarHBondContact O-CB 3.24Å; I115-A118 PolarHBondContact O-N 3.49Å; I115-A118 VanDerWaalsContact O-N 3.1Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 2.76Å; A118-L121 PolarHBondContact O-N 2.92Å; A118-N122 PolarHBondContact O-ND2 3.41Å; A118-N122 VanDerWaalsContact O-ND2 3.17Å
119I93.6Very high91.8Very high88 Ų8859.6 Ų59.645%0.45132%0.32SS..Hα-helixtrans-61.8-48173.7-65.2168.8000109.8I115 E116 L121 N122I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 WeakPolarHBondContact O-CG1 3.47Å; I115-I119 PolarHBondContact O-N 3.16Å; E116-I119 PolarHBondContact O-N 3.48Å; E116-I119 VanDerWaalsContact O-N 3.17Å; I119-L121 VanDerWaalsContact C-N 3.26Å; I119-L121 PolarHBondContact O-N 3.29Å; I119-N122 VanDerWaalsContact O-CB 3.29Å; I119-N122 WeakPolarHBondContact O-CB 3.43Å; I119-N122 PolarHBondContact O-N 3.44Å; I119-N122 VanDerWaalsContact O-N 3.08Å; I119-N122 PolarHBondContact O-ND2 3.42Å
120L92.6Very high91.4Very high28 Ų2854.6 Ų54.615%0.14730%0.303CS..Hα-helixtrans-62.3-29.3-179.9-69.1173.7000113.2M29 C33 E116 S117 N122 I123M29-L120 HydrophobicContact CB-CD1 4.46Å; M29-L120 HydrophobicContact CE-CD1 4.19Å; M29-L120 HydrophobicContact CE-CD2 3.66Å; M29-L120 HydrophobicContact CE-CG 4.44Å; C33-L120 HydrophobicContact CB-CD1 4.44Å; E116-L120 HydrophobicContact CG-CD1 4.14Å; E116-L120 HydrophobicContact CG-CG 4.36Å; E116-L120 WeakPolarHBondContact O-CB 3.22Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.42Å; E116-L120 PolarHBondContact O-N 2.9Å; S117-L120 PolarHBondContact O-N 2.93Å; L120-N122 PolarHBondContact O-N 2.92Å; L120-I123 HydrophobicContact CB-CD1 4.46Å; L120-I123 HydrophobicContact CD2-CD1 3.84Å; L120-I123 WeakPolarHBondContact O-CB 3.13Å; L120-I123 WeakPolarHBondContact O-CD1 3.46Å; L120-I123 WeakPolarHBondContact O-CG1 2.99Å; L120-I123 PolarHBondContact O-N 2.88Å
121L92.6Very high90.8Very high64 Ų6452 Ų5234%0.33529%0.294SS..Hα-helixtrans-60.4-25.9175.4-170.263.6000112.6L27 W30 S117 A118 I119 I123 L124L27-L121 HydrophobicContact CD2-CD1 4.32Å; W30-L121 HydrophobicContact CB-CB 4.43Å; W30-L121 HydrophobicContact CB-CD1 4.03Å; W30-L121 HydrophobicContact CD2-CD1 4.23Å; W30-L121 HydrophobicContact CG-CB 4.31Å; W30-L121 HydrophobicContact CG-CD1 3.93Å; S117-L121 PolarHBondContact O-N 3.5Å; A118-L121 PolarHBondContact O-N 2.92Å; I119-L121 VanDerWaalsContact C-N 3.26Å; I119-L121 PolarHBondContact O-N 3.29Å; L121-I123 PolarHBondContact O-N 3.04Å; L121-I123 VanDerWaalsContact O-N 3.16Å; L121-L124 VanDerWaalsContact O-CB 3.24Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 3.23Å
122N91.9Very high90.2Very high112 Ų11254 Ų5460%0.59930%0.303SS*.THydrogen-bonded Turntrans-63.6-18.3175.6-68.9-86000113.1A118 I119 L120 L124 V125A118-N122 PolarHBondContact O-ND2 3.41Å; A118-N122 VanDerWaalsContact O-ND2 3.17Å; I119-N122 VanDerWaalsContact O-CB 3.29Å; I119-N122 WeakPolarHBondContact O-CB 3.43Å; I119-N122 PolarHBondContact O-N 3.44Å; I119-N122 VanDerWaalsContact O-N 3.08Å; I119-N122 PolarHBondContact O-ND2 3.42Å; L120-N122 PolarHBondContact O-N 2.92Å; N122-L124 PolarHBondContact O-N 3.02Å; N122-L124 VanDerWaalsContact O-N 3.11Å; N122-V125 WeakPolarHBondContact O-CB 3.5Å; N122-V125 WeakPolarHBondContact O-CG2 3.49Å; N122-V125 PolarHBondContact O-N 3.36Å
123I91.6Very high89.7Confident38 Ų3854.6 Ų54.620%0.19531%0.306CS..THydrogen-bonded Turntrans-57.9-24.4172.8-65.8172.7000111.2A26 M29 T60 L120 L121 V125 T126A26-I123 HydrophobicContact CB-CB 3.92Å; A26-I123 HydrophobicContact CB-CG2 3.9Å; M29-I123 HydrophobicContact CE-CD1 4.03Å; M29-I123 HydrophobicContact SD-CD1 3.94Å; T60-I123 HydrophobicContact CG2-CG2 3.28Å; L120-I123 HydrophobicContact CB-CD1 4.46Å; L120-I123 HydrophobicContact CD2-CD1 3.84Å; L120-I123 WeakPolarHBondContact O-CB 3.13Å; L120-I123 WeakPolarHBondContact O-CD1 3.46Å; L120-I123 WeakPolarHBondContact O-CG1 2.99Å; L120-I123 PolarHBondContact O-N 2.88Å; L121-I123 PolarHBondContact O-N 3.04Å; L121-I123 VanDerWaalsContact O-N 3.16Å; I123-V125 PolarHBondContact O-N 3.3Å; I123-T126 WeakPolarHBondContact O-CB 3.5Å; I123-T126 PolarHBondContact O-N 3.43Å; I123-T126 PolarHBondContact O-OG1 3.26Å
124L90.6Very high89.2Confident55 Ų5553.9 Ų53.929%0.28830%0.302SS..Hα-helixtrans-54.3-26.5175.3-170.864.1000112.8A23 A26 L121 N122 T126 A127A23-L124 HydrophobicContact CB-CD1 3.75Å; A26-L124 HydrophobicContact CB-CB 4.3Å; L121-L124 VanDerWaalsContact O-CB 3.24Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 3.23Å; N122-L124 PolarHBondContact O-N 3.02Å; N122-L124 VanDerWaalsContact O-N 3.11Å; L124-T126 VanDerWaalsContact C-N 3.25Å; L124-T126 PolarHBondContact O-N 2.97Å; L124-A127 HydrophobicContact CD1-CB 4.44Å; L124-A127 WeakPolarHBondContact O-CB 3.43Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-A127 VanDerWaalsContact O-N 3.09Å
125V88.4Confident88.5Confident91 Ų9151.7 Ų51.755%0.55229%0.294SS*.Hα-helixtrans-60-35.4173.4178.50000111.7N122 I123 A127 S128 C129N122-V125 WeakPolarHBondContact O-CB 3.5Å; N122-V125 WeakPolarHBondContact O-CG2 3.49Å; N122-V125 PolarHBondContact O-N 3.36Å; I123-V125 PolarHBondContact O-N 3.3Å; V125-A127 PolarHBondContact O-N 2.9Å; V125-S128 PolarHBondContact O-N 3.49Å; V125-S128 VanDerWaalsContact O-N 3.12Å; V125-S128 PolarHBondContact O-OG 3.47Å; V125-C129 PolarHBondContact O-N 3.09Å
126T85.8Confident87.9Confident58 Ų5852.8 Ų52.836%0.35630%0.298SS..Hα-helixtrans-64.3-24.9177.568.30000112.9I123 L124 C129 S130I123-T126 WeakPolarHBondContact O-CB 3.5Å; I123-T126 PolarHBondContact O-N 3.43Å; I123-T126 PolarHBondContact O-OG1 3.26Å; L124-T126 VanDerWaalsContact C-N 3.25Å; L124-T126 PolarHBondContact O-N 2.97Å; T126-C129 PolarHBondContact O-N 3.2Å; T126-S130 PolarHBondContact O-N 3.47Å; T126-S130 PolarHBondContact O-OG 3.47Å
127A84.9Confident87.4Confident0 Ų051.5 Ų51.50%029%0.294CS..Hα-helixtrans-67-38.5175.200000111.7S19 A23 L124 V125 H131S19-A127 VanDerWaalsContact CB-O 3.29Å; S19-A127 WeakPolarHBondContact CB-O 3.34Å; S19-A127 WeakPolarHBondContact O-CB 3.4Å; S19-A127 PolarHBondContact OG-O 3.19Å; A23-A127 HydrophobicContact CB-CB 3.81Å; L124-A127 HydrophobicContact CD1-CB 4.44Å; L124-A127 WeakPolarHBondContact O-CB 3.43Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-A127 VanDerWaalsContact O-N 3.09Å; V125-A127 PolarHBondContact O-N 2.9Å; A127-H131 PolarHBondContact O-N 3.3Å
128S82.1Confident86.6Confident60 Ų6052.5 Ų52.542%0.4230%0.299SS..Hα-helixtrans-71.1-33.5177.171.70000111.7V125 H131V125-S128 PolarHBondContact O-N 3.49Å; V125-S128 VanDerWaalsContact O-N 3.12Å; V125-S128 PolarHBondContact O-OG 3.47Å; S128-H131 WeakPolarHBondContact O-CB 3.22Å; S128-H131 PolarHBondContact O-N 2.86Å
129C84.1Confident85.7Confident93 Ų9351.4 Ų51.463%0.62829%0.29SS*.Hα-helixtrans-63.6-41.2175-61.10000112.7V125 T126 H131V125-C129 PolarHBondContact O-N 3.09Å; T126-C129 PolarHBondContact O-N 3.2Å; C129-H131 PolarHBondContact O-N 2.99Å
130S85.2Confident84.8Confident13 Ų1352 Ų529%0.09129%0.289CS..THydrogen-bonded Turntrans-74.8-9.5-179.2-53.70000113.3T126 H132 L133 D134T126-S130 PolarHBondContact O-N 3.47Å; T126-S130 PolarHBondContact O-OG 3.47Å; S130-H132 PolarHBondContact O-N 3.48Å; S130-L133 PolarHBondContact O-N 3.49Å; S130-D134 PolarHBondContact O-N 2.83Å; S130-D134 VanDerWaalsContact O-N 3.13Å
131H83.1Confident84Confident26 Ų2653.8 Ų53.812%0.1230%0.301CS..Hα-helixtrans-60.1-47.7-177175-81.6000112.8A127 S128 C129 L133 D134 A135 L178 R187 F188A127-H131 PolarHBondContact O-N 3.3Å; S128-H131 WeakPolarHBondContact O-CB 3.22Å; S128-H131 PolarHBondContact O-N 2.86Å; C129-H131 PolarHBondContact O-N 2.99Å; H131-L133 VanDerWaalsContact C-N 3.29Å; H131-L133 PolarHBondContact O-N 2.81Å; H131-D134 PolarHBondContact O-N 3.29Å; H131-A135 PolarHBondContact O-N 3.45Å; H131-A135 VanDerWaalsContact O-N 3.1Å; H131-L178 WeakPolarHBondContact NE2-CD1 3.35Å; H131-L178 WeakPolarHBondContact NE2-CG 3.45Å; H131-R187 PolarHBondContact CD2-NE 3.06Å; H131-R187 PolarHBondContact CD2-NH1 3.37Å; H131-R187 PolarHBondContact CD2-NH2 3.37Å; H131-F188 AromaticContact CD2-CZ 3.67Å; H131-F188 AromaticContact CE1-CE1 3.33Å; H131-F188 WeakPolarHBondContact CE1-CE1 3.5Å; H131-F188 AromaticContact CE1-CZ 3.48Å; H131-F188 VanDerWaalsContact CE1-CZ 3.48Å; H131-F188 WeakPolarHBondContact CE1-CZ 3.25Å; H131-F188 AromaticContact CG-CZ 3.99Å; H131-F188 AromaticContact ND1-CZ 3.89Å; H131-F188 AromaticContact NE2-CE1 3.31Å; H131-F188 VanDerWaalsContact NE2-CE1 3.31Å; H131-F188 WeakPolarHBondContact NE2-CE1 3.34Å; H131-F188 AromaticContact NE2-CZ 3.28Å; H131-F188 VanDerWaalsContact NE2-CZ 3.28Å; H131-F188 WeakPolarHBondContact NE2-CZ 3.46Å; H131-F188 VanDerWaalsContact O-CZ 3.31Å; H131-F188 WeakPolarHBondContact O-CZ 3.26Å
132H81.6Confident83.1Confident134 Ų13455 Ų5562%0.6231%0.308SS*.Hα-helixtrans-62.1-40.7-177.3-179.564000111.5S130 A135 E136S130-H132 PolarHBondContact O-N 3.48Å; H132-A135 WeakPolarHBondContact O-CB 3.15Å; H132-A135 PolarHBondContact O-N 3.09Å; H132-E136 PolarHBondContact O-N 3.23Å
133L84.8Confident82.2Confident14 Ų1452 Ų527%0.07329%0.293CS..Hα-helixtrans-63.1-46.9177179.967.9000111.9F18 S67 Q71 S130 H131 A135 E136 L137F18-L133 HydrophobicContact CD2-CD2 4.07Å; F18-L133 HydrophobicContact CE2-CD2 4.35Å; S67-L133 VanDerWaalsContact CB-CD2 3.47Å; S67-L133 WeakPolarHBondContact O-CD2 3.47Å; Q71-L133 HydrophobicContact CB-CD1 4.06Å; Q71-L133 HydrophobicContact CG-CD1 4.42Å; S130-L133 PolarHBondContact O-N 3.49Å; H131-L133 VanDerWaalsContact C-N 3.29Å; H131-L133 PolarHBondContact O-N 2.81Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-E136 PolarHBondContact O-N 3.44Å; L133-E136 VanDerWaalsContact O-N 3.12Å; L133-L137 HydrophobicContact CD1-CD1 4.28Å; L133-L137 HydrophobicContact CD1-CG 4.24Å; L133-L137 HydrophobicContact CD2-CD1 4.46Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.33Å; L133-L137 WeakPolarHBondContact O-CG 3.43Å; L133-L137 PolarHBondContact O-N 3.48Å
134D84.5Confident81.2Confident4 Ų456.6 Ų56.62%0.02131%0.312CS..Hα-helixtrans-59.3-35.8177.3-72.5-20.4000111.5F18 S19 S130 H131 N138 R187 F188F18-D134 WeakPolarHBondContact CD2-OD1 3.49Å; F18-D134 PolarHBondContact N-OD1 2.82Å; F18-D134 PolarHBondContact N-OD2 3.48Å; S19-D134 WeakPolarHBondContact CA-OD2 3.45Å; S19-D134 WeakPolarHBondContact CB-OD2 3.39Å; S19-D134 PolarHBondContact N-OD2 3.06Å; S130-D134 PolarHBondContact O-N 2.83Å; S130-D134 VanDerWaalsContact O-N 3.13Å; H131-D134 PolarHBondContact O-N 3.29Å; D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 VanDerWaalsContact O-CG 3.26Å; D134-N138 PolarHBondContact O-N 3.41Å; D134-R187 IonicContact OD2-NH2 3.51Å; D134-R187 PolarHBondContact OD2-NH2 3.16Å; D134-F188 HydrophobicContact CB-CE2 3.65Å; D134-F188 HydrophobicContact CB-CZ 4.4Å
135A82.2Confident80.1Confident23 Ų2358.4 Ų58.419%0.1932%0.318CS..Hα-helixtrans-64.3-45175.600000111.6H131 H132 L133 A139 F188H131-A135 PolarHBondContact O-N 3.45Å; H131-A135 VanDerWaalsContact O-N 3.1Å; H132-A135 WeakPolarHBondContact O-CB 3.15Å; H132-A135 PolarHBondContact O-N 3.09Å; L133-A135 PolarHBondContact O-N 3.44Å; A135-A139 WeakPolarHBondContact O-CB 3.2Å; A135-A139 PolarHBondContact O-N 3.44Å; A135-F188 HydrophobicContact CB-CD1 3.72Å; A135-F188 HydrophobicContact CB-CD2 4.36Å; A135-F188 HydrophobicContact CB-CE1 3.36Å; A135-F188 HydrophobicContact CB-CE2 4.02Å; A135-F188 HydrophobicContact CB-CG 4.22Å; A135-F188 HydrophobicContact CB-CZ 3.51Å
136E81.3Confident79.1Confident75 Ų7559 Ų5935%0.3532%0.316SS..Hα-helixtrans-66.4-43.5179.6-167.9-170.7157.300111.9H132 L133 A139 K140H132-E136 PolarHBondContact O-N 3.23Å; L133-E136 PolarHBondContact O-N 3.44Å; L133-E136 VanDerWaalsContact O-N 3.12Å; E136-A139 PolarHBondContact O-N 3.05Å; E136-K140 WeakPolarHBondContact O-CG 3.34Å; E136-K140 PolarHBondContact O-N 2.84Å; E136-K140 WeakPolarHBondContact OE1-CE 3.28Å; E136-K140 IonicContact OE1-NZ 2.95Å; E136-K140 PolarHBondContact OE1-NZ 3.16Å
137L82.4Confident78.1Confident48 Ų4860.9 Ų60.925%0.25132%0.322SS..Hα-helixtrans-63.5-43.1177.1-69.8174.4000111.4F18 A70 L133 K140 T141F18-L137 HydrophobicContact CD2-CD1 4.34Å; F18-L137 HydrophobicContact CE2-CD1 3.63Å; A70-L137 HydrophobicContact CB-CD1 4.16Å; L133-L137 HydrophobicContact CD1-CD1 4.28Å; L133-L137 HydrophobicContact CD1-CG 4.24Å; L133-L137 HydrophobicContact CD2-CD1 4.46Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.33Å; L133-L137 WeakPolarHBondContact O-CG 3.43Å; L133-L137 PolarHBondContact O-N 3.48Å; L137-K140 PolarHBondContact O-N 3.39Å; L137-T141 PolarHBondContact O-N 2.86Å; L137-T141 PolarHBondContact O-OG1 3.38Å; L137-T141 VanDerWaalsContact O-OG1 3.07Å
138N78.7Confident77.1Confident22 Ų2266.5 Ų66.512%0.11835%0.348CS..Hα-helixtrans-64-41.6175.9-76.1-7.7000111.9D134 K140 T141 L142 S184 F188D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 VanDerWaalsContact O-CG 3.26Å; D134-N138 PolarHBondContact O-N 3.41Å; N138-K140 PolarHBondContact O-N 3.32Å; N138-T141 PolarHBondContact O-N 2.81Å; N138-L142 WeakPolarHBondContact O-CG 3.22Å; N138-L142 PolarHBondContact O-N 3.17Å; N138-S184 PolarHBondContact ND2-O 2.94Å; N138-S184 PolarHBondContact ND2-OG 3.15Å; N138-F188 HydrophobicContact CB-CB 4.49Å; N138-F188 WeakPolarHBondContact ND2-CD2 3.44Å
139A76.9Confident75.9Confident34 Ų3468.8 Ų68.828%0.28136%0.356SS..Hα-helixtrans-60.6-43.6174.900000111.9A135 E136 T141 L142 V143 L193A135-A139 WeakPolarHBondContact O-CB 3.2Å; A135-A139 PolarHBondContact O-N 3.44Å; E136-A139 PolarHBondContact O-N 3.05Å; A139-T141 VanDerWaalsContact C-N 3.33Å; A139-T141 PolarHBondContact O-N 2.96Å; A139-L142 PolarHBondContact O-N 3.25Å; A139-V143 WeakPolarHBondContact O-CG2 3.01Å; A139-V143 PolarHBondContact O-N 3.27Å; A139-L193 HydrophobicContact CB-CD2 4.22Å
140K76.6Confident74.5Confident101 Ų10168.4 Ų68.444%0.43935%0.351SS..Hα-helixtrans-61.3-39.7175.4-73.8174.3-175.91670112.3E136 L137 N138 K144E136-K140 WeakPolarHBondContact O-CG 3.34Å; E136-K140 PolarHBondContact O-N 2.84Å; E136-K140 WeakPolarHBondContact OE1-CE 3.28Å; E136-K140 IonicContact OE1-NZ 2.95Å; E136-K140 PolarHBondContact OE1-NZ 3.16Å; L137-K140 PolarHBondContact O-N 3.39Å; N138-K140 PolarHBondContact O-N 3.32Å; K140-K144 WeakPolarHBondContact O-CG 3.33Å; K140-K144 PolarHBondContact O-N 3.31Å; K140-K144 VanDerWaalsContact O-N 3.1Å
141T74.6Confident72.9Confident65 Ų6574.2 Ų74.240%0.39938%0.381SS..Hα-helixtrans-68.6-41.9177.8-590000111.8L137 N138 A139 K144 H145L137-T141 PolarHBondContact O-N 2.86Å; L137-T141 PolarHBondContact O-OG1 3.38Å; L137-T141 VanDerWaalsContact O-OG1 3.07Å; N138-T141 PolarHBondContact O-N 2.81Å; A139-T141 VanDerWaalsContact C-N 3.33Å; A139-T141 PolarHBondContact O-N 2.96Å; T141-K144 WeakPolarHBondContact O-CB 3.47Å; T141-K144 PolarHBondContact O-N 3.2Å; T141-H145 PolarHBondContact O-CD2 2.87Å; T141-H145 VanDerWaalsContact O-CD2 3.26Å; T141-H145 PolarHBondContact O-N 3.21Å
142L73.4Confident71.1Confident90 Ų9080.6 Ų80.647%0.47141%0.41SS..Hα-helixtrans-61.4-44.8175.5-70.4173000111.8N138 A139 K144 H145 E146N138-L142 WeakPolarHBondContact O-CG 3.22Å; N138-L142 PolarHBondContact O-N 3.17Å; A139-L142 PolarHBondContact O-N 3.25Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.06Å; L142-H145 PolarHBondContact O-N 2.89Å; L142-E146 WeakPolarHBondContact O-CG 3.37Å; L142-E146 PolarHBondContact O-N 3.19Å
143V74Confident68.7Low49 Ų4982.7 Ų82.730%0.29742%0.42SS..Hα-helixtrans-61.9-39176.1171.60000111.6A139 E146 I147 L193A139-V143 WeakPolarHBondContact O-CG2 3.01Å; A139-V143 PolarHBondContact O-N 3.27Å; V143-E146 PolarHBondContact O-N 3.03Å; V143-I147 HydrophobicContact CG1-CD1 3.79Å; V143-I147 HydrophobicContact CG1-CG1 4.41Å; V143-I147 VanDerWaalsContact O-CG1 3.24Å; V143-I147 WeakPolarHBondContact O-CG1 3.43Å; V143-I147 PolarHBondContact O-N 3.08Å; V143-L193 HydrophobicContact CG2-CD2 4.28Å
144K70.2Confident66Low134 Ų13488.4 Ų88.458%0.58345%0.451SS*.Hα-helixtrans-61.8-45.4175-76.2175.6-178.5-1790111.7K140 T141 L142 I147 E148K140-K144 WeakPolarHBondContact O-CG 3.33Å; K140-K144 PolarHBondContact O-N 3.31Å; K140-K144 VanDerWaalsContact O-N 3.1Å; T141-K144 WeakPolarHBondContact O-CB 3.47Å; T141-K144 PolarHBondContact O-N 3.2Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.06Å; K144-I147 PolarHBondContact O-N 3.12Å; K144-E148 WeakPolarHBondContact O-CG 3.32Å; K144-E148 PolarHBondContact O-N 3.41Å
145H67.9Low63.3Low92 Ų9297.5 Ų97.543%0.42649%0.49SS..Hα-helixtrans-63.7-41.3175.7-75.9-56.8000112.1T141 L142 I147 E148 D149T141-H145 PolarHBondContact O-CD2 2.87Å; T141-H145 VanDerWaalsContact O-CD2 3.26Å; T141-H145 PolarHBondContact O-N 3.21Å; L142-H145 PolarHBondContact O-N 2.89Å; H145-I147 VanDerWaalsContact C-N 3.32Å; H145-I147 PolarHBondContact O-N 3.33Å; H145-E148 IonicContact ND1-OE2 3.99Å; H145-E148 PolarHBondContact O-N 3.28Å; H145-D149 VanDerWaalsContact O-CB 3.28Å; H145-D149 WeakPolarHBondContact O-CB 3.27Å; H145-D149 VanDerWaalsContact O-CG 3.25Å; H145-D149 PolarHBondContact O-N 3.35Å
146E67Low60.8Low105 Ų105105.7 Ų105.749%0.49152%0.518SS..Hα-helixtrans-62.4-36.9175.3-75177.7-178.100112.5L142 V143 T150L142-E146 WeakPolarHBondContact O-CG 3.37Å; L142-E146 PolarHBondContact O-N 3.19Å; V143-E146 PolarHBondContact O-N 3.03Å; E146-T150 WeakPolarHBondContact O-CB 3.43Å; E146-T150 PolarHBondContact O-N 2.91Å; E146-T150 PolarHBondContact O-OG1 3.25Å
147I65.6Low58.4Low96 Ų96107.9 Ų107.949%0.49254%0.539SS..Hα-helixtrans-69.8-41.8175.3-67.4165.6000111.4V143 K144 H145 D149 T150 N151V143-I147 HydrophobicContact CG1-CD1 3.79Å; V143-I147 HydrophobicContact CG1-CG1 4.41Å; V143-I147 VanDerWaalsContact O-CG1 3.24Å; V143-I147 WeakPolarHBondContact O-CG1 3.43Å; V143-I147 PolarHBondContact O-N 3.08Å; K144-I147 PolarHBondContact O-N 3.12Å; H145-I147 VanDerWaalsContact C-N 3.32Å; H145-I147 PolarHBondContact O-N 3.33Å; I147-D149 VanDerWaalsContact C-N 3.34Å; I147-T150 VanDerWaalsContact CA-OG1 3.27Å; I147-T150 WeakPolarHBondContact CA-OG1 3.46Å; I147-T150 PolarHBondContact O-N 3.48Å; I147-T150 PolarHBondContact O-OG1 2.94Å; I147-N151 PolarHBondContact O-N 3.37Å
148E63.3Low55.9Low118 Ų118111.3 Ų111.355%0.55157%0.567SS**Hα-helixtrans-64.4-40.2175.5-73.7175-179.600111.4K144 H145K144-E148 WeakPolarHBondContact O-CG 3.32Å; K144-E148 PolarHBondContact O-N 3.41Å; H145-E148 IonicContact ND1-OE2 3.99Å; H145-E148 PolarHBondContact O-N 3.28Å
149D57.3Low53.4Low109 Ų109115.7 Ų115.758%0.58359%0.586SS**Hα-helixtrans-73.3-34.9176.9-72.1-22.9000112.1H145 I147 N151 H152H145-D149 VanDerWaalsContact O-CB 3.28Å; H145-D149 WeakPolarHBondContact O-CB 3.27Å; H145-D149 VanDerWaalsContact O-CG 3.25Å; H145-D149 PolarHBondContact O-N 3.35Å; I147-D149 VanDerWaalsContact C-N 3.34Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 PolarHBondContact O-N 3.49Å; D149-H152 CarbonylContact O-C 3.56Å; D149-H152 WeakPolarHBondContact O-CA 3.26Å; D149-H152 PolarHBondContact O-N 3.09Å
150T53.7Low51.2Low85 Ų85118.1 Ų118.152%0.52161%0.606SS.*Hα-helixtrans-71-24.8176.335.50000113.5E146 I147 H152E146-T150 WeakPolarHBondContact O-CB 3.43Å; E146-T150 PolarHBondContact O-N 2.91Å; E146-T150 PolarHBondContact O-OG1 3.25Å; I147-T150 VanDerWaalsContact CA-OG1 3.27Å; I147-T150 WeakPolarHBondContact CA-OG1 3.46Å; I147-T150 PolarHBondContact O-N 3.48Å; I147-T150 PolarHBondContact O-OG1 2.94Å; T150-H152 PolarHBondContact O-N 3.44Å
151N51.7Low48.9Very low134 Ų134120.4 Ų120.472%0.71762%0.623SS**THydrogen-bonded Turntrans-64.8-14.6164.8-77.1-33.3000112.3I147 D149I147-N151 PolarHBondContact O-N 3.37Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 PolarHBondContact O-N 3.49Å
152H45.4Very low46.6Very low160 Ų160125.8 Ų125.874%0.74165%0.649SS**SBendtrans-117.875.3170.3-77.7-69.7000111.6D149 T150D149-H152 CarbonylContact O-C 3.56Å; D149-H152 WeakPolarHBondContact O-CA 3.26Å; D149-H152 PolarHBondContact O-N 3.09Å; T150-H152 PolarHBondContact O-N 3.44Å
153Q31.6Very low44.6Very low178 Ų178126.2 Ų126.283%0.83267%0.665SS**  trans82.8128.1169.5-58.3-173.5-21.100118K155Q153-K155 PolarHBondContact O-N 2.94Å
154N28.2Very low42.5Very low135 Ų135129 Ų12972%0.72269%0.687SS**  trans-43.9123.5168.6-67.5-38.3000114.1
155K28Very low40.6Very low194 Ų194129.2 Ų129.284%0.84369%0.694SS**  trans-162.7110.1138.8-112.3169.3-176.4-179.10110.4Q153Q153-K155 PolarHBondContact O-N 2.94Å
156Y28.7Very low39.1Very low196 Ų196129.8 Ų129.877%0.76971%0.708SS**PPolyproline II helixtrans-75.5140178.2-70.8-90000111.9
157P31.4Very low37.8Very low121 Ų121127.3 Ų127.379%0.78670%0.702SS**PPolyproline II helixtrans-91.4129.6156.915.6-0.6000111
158S30.6Very low37Very low120 Ų120130.1 Ų130.184%0.83972%0.716SS**PPolyproline II helixtrans-95.8144.6173.158.60000112.2
159E26.1Very low36.1Very low114 Ų114129.3 Ų129.353%0.53372%0.72SS.*PPolyproline II helixtrans-79.9117.5179-62.6172129.100112.6S198 K202E159-S198 VanDerWaalsContact OE1-CB 3.32Å; E159-S198 WeakPolarHBondContact OE1-CB 3.14Å; E159-S198 PolarHBondContact OE1-OG 3.13Å; E159-K202 WeakPolarHBondContact OE1-CE 3.46Å; E159-K202 IonicContact OE1-NZ 2.66Å; E159-K202 WeakPolarHBondContact OE2-CE 3.4Å; E159-K202 WeakPolarHBondContact OE2-CG 3.25Å; E159-K202 IonicContact OE2-NZ 3.41Å
160A29.2Very low35.5Very low84 Ų84130.6 Ų130.669%0.69472%0.72SS**  trans-175.4114.9143.400000107.5
161D28.3Very low35.3Very low149 Ų149133.9 Ų133.980%0.79772%0.724SS**  trans158.665.9142.2-74.9-15.2000108.9A163D161-A163 PolarHBondContact O-N 3.27Å
162L27.4Very low35.2Very low179 Ų179134.5 Ų134.594%0.93772%0.72SS**  trans-85.892.2163.9-17482.8000107.3
163A30Very low35.4Very low98 Ų98135.8 Ų135.881%0.8172%0.719SS**  trans159.2109.2146.300000110.8D161D161-A163 PolarHBondContact O-N 3.27Å
164S31.1Very low36.6Very low108 Ų108131.9 Ų131.976%0.75570%0.704SS**  trans-159.9114.7142.861.90000110.9
165D31.1Very low38.1Very low138 Ų138129.3 Ų129.374%0.73869%0.689SS**  trans72.180.5149.3-56.7-18.7000119.1S167D165-S167 PolarHBondContact O-N 2.94Å
166C35Very low39.6Very low105 Ų105124.1 Ų124.171%0.70967%0.67SS**  trans-74.590.2157.4-169.30000109.6Y171C166-Y171 WeakPolarHBondContact SG-CE2 3.46Å
167S41Very low41.1Very low52 Ų52116.9 Ų116.936%0.36465%0.647SS.*  trans-95.1133.6165.968.70000110.6D165 T169 K170D165-S167 PolarHBondContact O-N 2.94Å; S167-T169 PolarHBondContact O-N 3.34Å; S167-T169 PolarHBondContact OG-OG1 3Å; S167-K170 PolarHBondContact O-N 2.98Å
168I48.1Very low42.6Very low155 Ų155113 Ų11380%0.79562%0.62SS**Hα-helixtrans-52.6-29.7-179.8-69.5165.5000112Y171I168-Y171 PolarHBondContact O-N 3.29Å
169T43.7Very low44.1Very low102 Ų102109.1 Ų109.163%0.62659%0.592SS**Hα-helixtrans-69.5-29.7177.728.50000114.2S167S167-T169 PolarHBondContact O-N 3.34Å; S167-T169 PolarHBondContact OG-OG1 3Å
170K45.1Very low45.9Very low135 Ų135106.4 Ų106.459%0.58758%0.581SS**Hα-helixtrans-73.3-33.1173.9-102.8177.2179.6171.70112.3S167 N174S167-K170 PolarHBondContact O-N 2.98Å; K170-N174 VanDerWaalsContact O-CB 3.32Å; K170-N174 WeakPolarHBondContact O-CB 3.41Å; K170-N174 PolarHBondContact O-N 3.04Å; K170-N174 PolarHBondContact O-ND2 3.48Å
171Y49.8Very low47.5Very low154 Ų154105.2 Ų105.260%0.60457%0.567SS**Hα-helixtrans-62-43.8177.1-96.6-92.6000111.9C166 I168 N174 L175C166-Y171 WeakPolarHBondContact SG-CE2 3.46Å; I168-Y171 PolarHBondContact O-N 3.29Å; Y171-N174 PolarHBondContact O-N 2.8Å; Y171-L175 PolarHBondContact O-N 3.09Å
172F49.6Very low49.6Very low148 Ų148101.2 Ų101.265%0.64954%0.544SS*.Hα-helixtrans-66.9-38.4-178.4-147.9-86.6000113.3L175F172-L175 HydrophobicContact CD2-CD1 4.46Å; F172-L175 WeakPolarHBondContact O-CB 3.26Å; F172-L175 PolarHBondContact O-N 3.44Å
173W49.6Very low51.5Low186 Ų18693.2 Ų93.271%0.70550%0.504SS*.Hα-helixtrans-76.6-26.4175.5-79.898.8000113.3I176 P177W173-I176 HydrophobicContact CE3-CD1 4.37Å; W173-I176 HydrophobicContact CZ3-CD1 4.45Å; W173-P177 WeakPolarHBondContact O-CD 3.32Å
174N56.8Low53.6Low97 Ų9788.8 Ų88.852%0.51947%0.466SS..Hα-helixtrans-73.2-27.2172.4-74-18.6000112.4K170 Y171 I176 P177 L178K170-N174 VanDerWaalsContact O-CB 3.32Å; K170-N174 WeakPolarHBondContact O-CB 3.41Å; K170-N174 PolarHBondContact O-N 3.04Å; K170-N174 PolarHBondContact O-ND2 3.48Å; Y171-N174 PolarHBondContact O-N 2.8Å; N174-I176 VanDerWaalsContact C-N 3.3Å; N174-I176 PolarHBondContact O-N 3.35Å; N174-P177 WeakPolarHBondContact O-CD 3.47Å; N174-L178 VanDerWaalsContact O-CB 3.28Å; N174-L178 WeakPolarHBondContact O-CB 3.43Å; N174-L178 PolarHBondContact O-N 2.94Å
175L60.6Low55.1Low80 Ų8086.3 Ų86.342%0.41944%0.444SS..Hα-helixtrans-59.5-33.5178.4-94.5150.9000113.8Y171 F172 L178 C179Y171-L175 PolarHBondContact O-N 3.09Å; F172-L175 HydrophobicContact CD2-CD1 4.46Å; F172-L175 WeakPolarHBondContact O-CB 3.26Å; F172-L175 PolarHBondContact O-N 3.44Å; L175-L178 HydrophobicContact CD2-CD2 4.26Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 2.98Å; L175-C179 PolarHBondContact O-N 2.67Å; L175-C179 VanDerWaalsContact O-N 3.07Å
176I59.1Low56.8Low86 Ų8683.4 Ų83.444%0.44143%0.425SS..Hα-helixtrans-67.7-57.8-178.4-68.1170.8000110.3W173 N174 L178 C179 L180W173-I176 HydrophobicContact CE3-CD1 4.37Å; W173-I176 HydrophobicContact CZ3-CD1 4.45Å; N174-I176 VanDerWaalsContact C-N 3.3Å; N174-I176 PolarHBondContact O-N 3.35Å; I176-L178 PolarHBondContact O-N 3.38Å; I176-C179 PolarHBondContact O-N 2.87Å; I176-L180 HydrophobicContact CB-CD1 4.47Å; I176-L180 HydrophobicContact CG2-CD1 3.72Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 3.43Å
177P59.4Low58.5Low43 Ų4379.4 Ų79.428%0.27940%0.395SS..Hα-helixtrans-54.5-31165.5-3037.4000114.5W173 N174 C179 I182 R187W173-P177 WeakPolarHBondContact O-CD 3.32Å; N174-P177 WeakPolarHBondContact O-CD 3.47Å; P177-C179 VanDerWaalsContact C-N 3.29Å; P177-C179 PolarHBondContact O-N 3.45Å; P177-I182 HydrophobicContact CB-CD1 3.89Å; P177-I182 HydrophobicContact CG-CD1 4.22Å; P177-R187 VanDerWaalsContact O-CD 3.31Å; P177-R187 WeakPolarHBondContact O-CD 3.31Å
178L63.4Low59.8Low41 Ų4177.6 Ų77.622%0.21538%0.381CS..Hα-helixtrans-60.6-42-179.3-148.877.7000111.2H131 N174 L175 I176 R187H131-L178 WeakPolarHBondContact NE2-CD1 3.35Å; H131-L178 WeakPolarHBondContact NE2-CG 3.45Å; N174-L178 VanDerWaalsContact O-CB 3.28Å; N174-L178 WeakPolarHBondContact O-CB 3.43Å; N174-L178 PolarHBondContact O-N 2.94Å; L175-L178 HydrophobicContact CD2-CD2 4.26Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 2.98Å; I176-L178 PolarHBondContact O-N 3.38Å; L178-R187 PolarHBondContact O-NH1 3Å
179C62.1Low60.5Low37 Ų3776.4 Ų76.425%0.2537%0.366CS..Hα-helixtrans-106.4-9.2-173.3-62.90000114.4A23 L175 I176 P177A23-C179 WeakPolarHBondContact CB-O 3.47Å; L175-C179 PolarHBondContact O-N 2.67Å; L175-C179 VanDerWaalsContact O-N 3.07Å; I176-C179 PolarHBondContact O-N 2.87Å; P177-C179 VanDerWaalsContact C-N 3.29Å; P177-C179 PolarHBondContact O-N 3.45Å
180L64.3Low60.9Low57 Ų5780.5 Ų80.530%0.29838%0.375SS..SBendtrans-130.2156.2-169.8-61.3164.7000113.5I176 I182I176-L180 HydrophobicContact CB-CD1 4.47Å; I176-L180 HydrophobicContact CG2-CD1 3.72Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 3.43Å; L180-I182 PolarHBondContact O-N 3.43Å
181C61.9Low61.2Low60 Ų6080.1 Ų80.141%0.40537%0.371SS..SBendtrans34-14.3158.1-57.30000122.7W24W24-C181 HydrophobicContact CZ2-CB 4.05Å; W24-C181 WeakPolarHBondContact CZ2-SG 3.37Å
182I71.4Confident61Low64 Ų6478.2 Ų78.233%0.32838%0.378SS..SBendtrans-96.4127.1-177.1-57.1-164.9000108.3S20 P177 L180 S184 F186 R187S20-I182 PolarHBondContact OG-O 3.01Å; P177-I182 HydrophobicContact CB-CD1 3.89Å; P177-I182 HydrophobicContact CG-CD1 4.22Å; L180-I182 PolarHBondContact O-N 3.43Å; I182-S184 PolarHBondContact O-N 2.91Å; I182-F186 HydrophobicContact CG2-CB 3.5Å; I182-F186 VanDerWaalsContact CG2-CB 3.5Å; I182-R187 HydrophobicContact CG2-CB 4.47Å
183P69.2Low60.7Low12 Ų1275.5 Ų75.58%0.07837%0.369CS..  trans-51.8141.6172.2-21.925.8000111.6Y16 L185 F186 R187Y16-P183 HydrophobicContact CD1-CB 4Å; Y16-P183 HydrophobicContact CD1-CG 3.86Å; Y16-P183 HydrophobicContact CD2-CB 4.42Å; Y16-P183 HydrophobicContact CD2-CG 4.31Å; Y16-P183 HydrophobicContact CE1-CB 4.16Å; Y16-P183 HydrophobicContact CE1-CG 3.48Å; Y16-P183 VanDerWaalsContact CE1-CG 3.48Å; Y16-P183 HydrophobicContact CE2-CG 3.95Å; Y16-P183 HydrophobicContact CG-CB 4.14Å; Y16-P183 HydrophobicContact CG-CG 4.26Å; P183-L185 PolarHBondContact O-N 2.82Å; P183-L185 VanDerWaalsContact O-N 3.09Å; P183-F186 HydrophobicContact CB-CD2 3.6Å; P183-F186 HydrophobicContact CB-CE2 4.02Å; P183-F186 HydrophobicContact CG-CD2 3.45Å; P183-F186 VanDerWaalsContact CG-CD2 3.45Å; P183-F186 HydrophobicContact CG-CE2 3.71Å; P183-F186 PolarHBondContact O-N 3.43Å; P183-R187 PolarHBondContact O-N 2.85Å
184S72.2Confident60.2Low4 Ų473.7 Ų73.73%0.02837%0.373CS..Hα-helixtrans-50.9-38.1-178.666.50000112.3Y16 N138 I182 F186 R187 F188Y16-S184 WeakPolarHBondContact O-CB 3.48Å; Y16-S184 PolarHBondContact O-N 3.25Å; Y16-S184 PolarHBondContact O-OG 2.89Å; N138-S184 PolarHBondContact ND2-O 2.94Å; N138-S184 PolarHBondContact ND2-OG 3.15Å; I182-S184 PolarHBondContact O-N 2.91Å; S184-F186 PolarHBondContact O-N 3.45Å; S184-R187 WeakPolarHBondContact O-CB 3.43Å; S184-R187 PolarHBondContact O-N 2.98Å; S184-R187 VanDerWaalsContact O-N 3.17Å; S184-F188 WeakPolarHBondContact O-CD2 3.22Å; S184-F188 PolarHBondContact O-N 3.27Å
185L63.8Low59.2Low56 Ų5673.1 Ų73.129%0.29338%0.376SS..Hα-helixtrans-59.6-40.8177.3-65.9168.5000112.9T15 P183 R189 E238T15-L185 WeakPolarHBondContact O-CD1 3.47Å; P183-L185 PolarHBondContact O-N 2.82Å; P183-L185 VanDerWaalsContact O-N 3.09Å; L185-R189 PolarHBondContact O-N 3.32Å; L185-E238 WeakPolarHBondContact CD1-OE2 3.07Å
186F66.8Low57.9Low77 Ų7773.6 Ų73.634%0.33839%0.386SS..Hα-helixtrans-77.2-32.9175.4-62.3-65.4000112I182 P183 S184I182-F186 HydrophobicContact CG2-CB 3.5Å; I182-F186 VanDerWaalsContact CG2-CB 3.5Å; P183-F186 HydrophobicContact CB-CD2 3.6Å; P183-F186 HydrophobicContact CB-CE2 4.02Å; P183-F186 HydrophobicContact CG-CD2 3.45Å; P183-F186 VanDerWaalsContact CG-CD2 3.45Å; P183-F186 HydrophobicContact CG-CE2 3.71Å; P183-F186 PolarHBondContact O-N 3.43Å; S184-F186 PolarHBondContact O-N 3.45Å
187R70.5Confident56.7Low22 Ų2275.3 Ų75.38%0.08339%0.392CS..Hα-helixtrans-65.5-43.1179-172.3175.368.9-169-1.2111.9S19 H131 D134 P177 L178 I182 P183 S184S19-R187 PolarHBondContact OG-NH1 3.28Å; S19-R187 PolarHBondContact OG-NH2 3.4Å; H131-R187 PolarHBondContact CD2-NE 3.06Å; H131-R187 PolarHBondContact CD2-NH1 3.37Å; H131-R187 PolarHBondContact CD2-NH2 3.37Å; D134-R187 IonicContact OD2-NH2 3.51Å; D134-R187 PolarHBondContact OD2-NH2 3.16Å; P177-R187 VanDerWaalsContact O-CD 3.31Å; P177-R187 WeakPolarHBondContact O-CD 3.31Å; L178-R187 PolarHBondContact O-NH1 3Å; I182-R187 HydrophobicContact CG2-CB 4.47Å; P183-R187 PolarHBondContact O-N 2.85Å; S184-R187 WeakPolarHBondContact O-CB 3.43Å; S184-R187 PolarHBondContact O-N 2.98Å; S184-R187 VanDerWaalsContact O-N 3.17Å
188F69Low55.5Low13 Ų1374.5 Ų74.56%0.05739%0.387CS..Hα-helixtrans-94.7-6.2-173.6-64.8-62.4000115.5H131 D134 A135 N138 S184 K190 Y191H131-F188 AromaticContact CD2-CZ 3.67Å; H131-F188 AromaticContact CE1-CE1 3.33Å; H131-F188 WeakPolarHBondContact CE1-CE1 3.5Å; H131-F188 AromaticContact CE1-CZ 3.48Å; H131-F188 VanDerWaalsContact CE1-CZ 3.48Å; H131-F188 WeakPolarHBondContact CE1-CZ 3.25Å; H131-F188 AromaticContact CG-CZ 3.99Å; H131-F188 AromaticContact ND1-CZ 3.89Å; H131-F188 AromaticContact NE2-CE1 3.31Å; H131-F188 VanDerWaalsContact NE2-CE1 3.31Å; H131-F188 WeakPolarHBondContact NE2-CE1 3.34Å; H131-F188 AromaticContact NE2-CZ 3.28Å; H131-F188 VanDerWaalsContact NE2-CZ 3.28Å; H131-F188 WeakPolarHBondContact NE2-CZ 3.46Å; H131-F188 VanDerWaalsContact O-CZ 3.31Å; H131-F188 WeakPolarHBondContact O-CZ 3.26Å; D134-F188 HydrophobicContact CB-CE2 3.65Å; D134-F188 HydrophobicContact CB-CZ 4.4Å; A135-F188 HydrophobicContact CB-CD1 3.72Å; A135-F188 HydrophobicContact CB-CD2 4.36Å; A135-F188 HydrophobicContact CB-CE1 3.36Å; A135-F188 HydrophobicContact CB-CE2 4.02Å; A135-F188 HydrophobicContact CB-CG 4.22Å; A135-F188 HydrophobicContact CB-CZ 3.51Å; N138-F188 HydrophobicContact CB-CB 4.49Å; N138-F188 WeakPolarHBondContact ND2-CD2 3.44Å; S184-F188 WeakPolarHBondContact O-CD2 3.22Å; S184-F188 PolarHBondContact O-N 3.27Å; F188-K190 PolarHBondContact O-N 3.03Å; F188-Y191 AromaticContact CD1-CD2 3.54Å; F188-Y191 HydrophobicContact CD1-CD2 3.54Å; F188-Y191 AromaticContact CD1-CE2 3.79Å; F188-Y191 HydrophobicContact CD1-CE2 3.79Å; F188-Y191 HydrophobicContact CD1-CG 4.09Å; F188-Y191 HydrophobicContact CE1-CD2 4.21Å; F188-Y191 HydrophobicContact CE1-CE2 4.01Å; F188-Y191 PolarHBondContact O-N 3.05Å
189R62.8Low53.9Low131 Ų13177.9 Ų77.949%0.49441%0.406SS..THydrogen-bonded Turntrans-55.7-26178.9-165.3174.5-171.9173.77.3114.5L185 S227L185-R189 PolarHBondContact O-N 3.32Å; R189-S227 PolarHBondContact NH1-O 3.4Å
190K51.8Low52.5Low187 Ų18781.8 Ų81.881%0.81342%0.423SS*.THydrogen-bonded Turntrans-94.4-5178.1-71.7-174.7179.4179.50114.2F188 P192F188-K190 PolarHBondContact O-N 3.03Å; K190-P192 WeakPolarHBondContact O-CD 3.4Å
191Y51Low51Low128 Ų12884.6 Ų84.650%0.50244%0.437SS..  trans-75.1115.6-179.4-94.3-96.7000109.2F188 L193F188-Y191 AromaticContact CD1-CD2 3.54Å; F188-Y191 HydrophobicContact CD1-CD2 3.54Å; F188-Y191 AromaticContact CD1-CE2 3.79Å; F188-Y191 HydrophobicContact CD1-CE2 3.79Å; F188-Y191 HydrophobicContact CD1-CG 4.09Å; F188-Y191 HydrophobicContact CE1-CD2 4.21Å; F188-Y191 HydrophobicContact CE1-CE2 4.01Å; F188-Y191 PolarHBondContact O-N 3.05Å; Y191-L193 PolarHBondContact O-N 2.77Å
192P44.9Very low49.4Very low113 Ų11387.2 Ų87.273%0.73444%0.442SS*.  trans-59.8131.1169.224.8-30.4000108.1K190 L194K190-P192 WeakPolarHBondContact O-CD 3.4Å; P192-L194 PolarHBondContact O-N 3.16Å
193L44.8Very low47.4Very low91 Ų9189.5 Ų89.548%0.47646%0.459SS..  trans-44.8115.6174.8-76.6158000108.5A139 V143 Y191 S195A139-L193 HydrophobicContact CB-CD2 4.22Å; V143-L193 HydrophobicContact CG2-CD2 4.28Å; Y191-L193 PolarHBondContact O-N 2.77Å; L193-S195 PolarHBondContact O-N 3.14Å; L193-S195 VanDerWaalsContact O-N 3.11Å
194L38.5Very low45.6Very low149 Ų14995.6 Ų95.678%0.7849%0.491SS*.  trans-53.7121.9179.5-153.480.8000107.5P192 S196P192-L194 PolarHBondContact O-N 3.16Å; L194-S196 PolarHBondContact O-N 3.06Å
195S35.8Very low43.7Very low84 Ų8499 Ų9959%0.58752%0.519SS*.THydrogen-bonded Turntrans-58.85.9-168.755.50000116.4L193 H197 S198L193-S195 PolarHBondContact O-N 3.14Å; L193-S195 VanDerWaalsContact O-N 3.11Å; S195-H197 PolarHBondContact O-N 2.8Å; S195-S198 PolarHBondContact O-N 3.27Å; S195-S198 PolarHBondContact O-OG 3.31Å; S195-S198 VanDerWaalsContact O-OG 3.08Å
196S32.2Very low42Very low90 Ų90105 Ų10563%0.62955%0.546SS*.THydrogen-bonded Turntrans-64-26.8172-176.40000112.8L194L194-S196 PolarHBondContact O-N 3.06Å
197H33.9Very low40.1Very low123 Ų123108.9 Ų108.957%0.56957%0.57SS**THydrogen-bonded Turntrans-88-16.6175.2-87.2-70.4000113.6S195 N199 I200S195-H197 PolarHBondContact O-N 2.8Å; H197-N199 VanDerWaalsContact C-N 3.3Å; H197-N199 PolarHBondContact O-N 3.2Å; H197-I200 PolarHBondContact O-N 3.48Å
198S34.7Very low38.3Very low25 Ų25113.6 Ų113.618%0.17561%0.606CS.*Hα-helixtrans-73-23.4-178.477.70000113.1E159 S195 I200 I201 K202E159-S198 VanDerWaalsContact OE1-CB 3.32Å; E159-S198 WeakPolarHBondContact OE1-CB 3.14Å; E159-S198 PolarHBondContact OE1-OG 3.13Å; S195-S198 PolarHBondContact O-N 3.27Å; S195-S198 PolarHBondContact O-OG 3.31Å; S195-S198 VanDerWaalsContact O-OG 3.08Å; S198-I200 PolarHBondContact O-N 2.88Å; S198-I201 PolarHBondContact O-N 3.28Å; S198-I201 VanDerWaalsContact O-N 3.12Å; S198-K202 WeakPolarHBondContact O-CG 3.34Å; S198-K202 PolarHBondContact O-N 2.94Å
199N29.3Very low36.5Very low113 Ų113120.8 Ų120.860%0.60465%0.645SS**Hα-helixtrans-64.3-23.3173.3-73.5-14.4000113.4H197H197-N199 VanDerWaalsContact C-N 3.3Å; H197-N199 PolarHBondContact O-N 3.2Å
200I32.7Very low34.8Very low118 Ų118124.4 Ų124.461%0.60566%0.66SS**Hα-helixtrans-79.3-34.5175.2-61174.4000110.3H197 S198 T203H197-I200 PolarHBondContact O-N 3.48Å; S198-I200 PolarHBondContact O-N 2.88Å; I200-T203 PolarHBondContact O-OG1 3.37Å
201I34Very low33.8Very low117 Ų117123 Ų12360%0.666%0.662SS**Hα-helixtrans-82.4-32.7-175-59.2174.9000111.8S198 T203 N204S198-I201 PolarHBondContact O-N 3.28Å; S198-I201 VanDerWaalsContact O-N 3.12Å; I201-T203 PolarHBondContact O-N 3.28Å; I201-N204 PolarHBondContact O-N 3.45Å
202K28.5Very low32.8Very low115 Ų115124.2 Ų124.250%0.568%0.676SS.*G310 helixtrans-56.7-22.1179.6-85.5-178.5178.7179.70115.3E159 S198 N204E159-K202 WeakPolarHBondContact OE1-CE 3.46Å; E159-K202 IonicContact OE1-NZ 2.66Å; E159-K202 WeakPolarHBondContact OE2-CE 3.4Å; E159-K202 WeakPolarHBondContact OE2-CG 3.25Å; E159-K202 IonicContact OE2-NZ 3.41Å; S198-K202 WeakPolarHBondContact O-CG 3.34Å; S198-K202 PolarHBondContact O-N 2.94Å; K202-N204 VanDerWaalsContact C-N 3.26Å; K202-N204 PolarHBondContact O-N 3.03Å
203T29.5Very low32.4Very low112 Ų112123.2 Ų123.269%0.68767%0.667SS**G310 helixtrans-75.9-9.7-178.150.10000114.2I200 I201I200-T203 PolarHBondContact O-OG1 3.37Å; I201-T203 PolarHBondContact O-N 3.28Å
204N31.5Very low31.8Very low140 Ų140124.3 Ų124.375%0.74968%0.682SS**G310 helixtrans-119.610.5-170.1-72.6-13.2000116.3I201 K202I201-N204 PolarHBondContact O-N 3.45Å; K202-N204 VanDerWaalsContact C-N 3.26Å; K202-N204 PolarHBondContact O-N 3.03Å
205A31.7Very low31.2Very low76 Ų76126.1 Ų126.163%0.62868%0.684SS**  trans-124.926.1-172.700000115.4N207A205-N207 PolarHBondContact O-N 3.46Å
206E28.4Very low31.1Very low181 Ų181129.5 Ų129.585%0.84669%0.691SS**  trans-76.595.3161.1-71.2-177.817400108.3
207N27.1Very low31.1Very low158 Ų158133 Ų13385%0.84569%0.69SS**  trans147.193.3152.1-73.8-29.2000111.4A205A205-N207 PolarHBondContact O-N 3.46Å
208S32.1Very low31Very low121 Ų121133.5 Ų133.585%0.84670%0.695SS**  trans177.8136.9133.355.50000112.4
209D31Very low30.6Very low165 Ų165137.2 Ų137.288%0.88271%0.713SS**  trans-48143.4-170.9-70.7-51.2000119.3
210Y27.6Very low30.7Very low206 Ų206134.2 Ų134.281%0.80871%0.709SS**  trans-70.9133.1167.8-75.8-107.5000110.8
211D30.4Very low30.5Very low158 Ų158135.3 Ų135.385%0.84571%0.713SS**  trans175.323.2136.2-97.9-14000118.7
212I30Very low30.1Very low154 Ų154138.9 Ų138.979%0.7972%0.719SS**  trans-119.220.1176.9-53.1172.5000113.2S214I212-S214 PolarHBondContact O-N 3.33Å
213V36.1Very low30.3Very low92 Ų92141.2 Ų141.256%0.55873%0.73SS**THydrogen-bonded Turntrans-78.1-7.6-167.6175.60000115.6
214S32.8Very low30.7Very low114 Ų114139 Ų13980%0.79772%0.718SS**THydrogen-bonded Turntrans-91.6-23.2-171.363.50000116.4I212I212-S214 PolarHBondContact O-N 3.33Å
215K26.5Very low30.6Very low187 Ų187138.8 Ų138.881%0.81372%0.717SS**SBendtrans-98.6-21.4-168.5-104.6178.7178.9174.40117.2
216E33.7Very low30.4Very low155 Ų155144.7 Ų144.772%0.72472%0.723SS**SBendtrans-93.5-6.5-176.1-72.8-172.6151.800114.7I218 N219E216-I218 PolarHBondContact O-N 2.95Å; E216-I218 VanDerWaalsContact O-N 3.13Å; E216-N219 PolarHBondContact O-N 3.4Å; E216-N219 VanDerWaalsContact O-N 3.1Å
217R31.7Very low30.8Very low163 Ų163137.4 Ų137.462%0.61569%0.692SS**Hα-helixtrans-63.6-21.9-176.4-147.7-179.4-75.3-159.9-5.6114
218I30.9Very low31.4Very low134 Ų134136.5 Ų136.569%0.68769%0.687SS**Hα-helixtrans-83.5-26.2178.4-59.1176.7000112E216E216-I218 PolarHBondContact O-N 2.95Å; E216-I218 VanDerWaalsContact O-N 3.13Å
219N27.9Very low31.7Very low103 Ų103135 Ų13555%0.55168%0.676SS**Hα-helixtrans-82.7-25.4-178.1-75.6-21.2000113.2E216 M221 R222 F223E216-N219 PolarHBondContact O-N 3.4Å; E216-N219 VanDerWaalsContact O-N 3.1Å; N219-M221 PolarHBondContact O-N 2.62Å; N219-R222 PolarHBondContact O-N 3.35Å; N219-F223 PolarHBondContact O-N 2.87Å
220G30Very low32.2Very low49 Ų49133.9 Ų133.951%0.50566%0.664SS.*Hα-helixtrans-62.1-36.8177.100000114F223 S224G220-F223 PolarHBondContact O-N 3.43Å; G220-S224 PolarHBondContact O-N 3.12Å
221M28.3Very low33.6Very low142 Ų142124.3 Ų124.370%0.763%0.628SS**Hα-helixtrans-70.2-34.3177.7-68.6-173.7-146.200112.7N219 F223 S224N219-M221 PolarHBondContact O-N 2.62Å; M221-F223 VanDerWaalsContact C-N 3.33Å; M221-F223 PolarHBondContact O-N 3.48Å; M221-S224 PolarHBondContact O-N 3.36Å; M221-S224 PolarHBondContact O-OG 3.21Å
222R26.9Very low35.3Very low191 Ų191121.3 Ų121.372%0.72162%0.618SS**Hα-helixtrans-69.3-28.8174-82.8-174.5-169.4173.34.6112.8N219 R226N219-R222 PolarHBondContact O-N 3.35Å; R222-R226 PolarHBondContact O-N 3.11Å
223F32.8Very low37.4Very low165 Ų165116.8 Ų116.872%0.72460%0.598SS**Hα-helixtrans-71-34.3175-139.1-90.4000111.9N219 G220 M221 N225 R226 S227N219-F223 PolarHBondContact O-N 2.87Å; G220-F223 PolarHBondContact O-N 3.43Å; M221-F223 VanDerWaalsContact C-N 3.33Å; M221-F223 PolarHBondContact O-N 3.48Å; F223-N225 PolarHBondContact O-N 3.07Å; F223-R226 PolarHBondContact O-N 3.18Å; F223-S227 PolarHBondContact O-N 3.29Å
224S37.1Very low39.1Very low65 Ų65117 Ų11746%0.45559%0.594SS.*Hα-helixtrans-64.3-38.6177.280.50000113.3G220 M221 S227G220-S224 PolarHBondContact O-N 3.12Å; M221-S224 PolarHBondContact O-N 3.36Å; M221-S224 PolarHBondContact O-OG 3.21Å; S224-S227 PolarHBondContact O-N 3.5Å; S224-S227 PolarHBondContact O-OG 3.15Å
225N28.5Very low41.3Very low136 Ų136113.6 Ų113.673%0.72757%0.565SS**Hα-helixtrans-79.3-26.4179.4-83-10.6000113.9F223 S227F223-N225 PolarHBondContact O-N 3.07Å; N225-S227 VanDerWaalsContact C-N 3.27Å
226R27.5Very low43.9Very low200 Ų200109.3 Ų109.376%0.75555%0.55SS**Hα-helixtrans-74.3-17.2169.9-87.8-175.2175.3-178.4-1.3113.2R222 F223 L228 S229R222-R226 PolarHBondContact O-N 3.11Å; F223-R226 PolarHBondContact O-N 3.18Å; R226-L228 VanDerWaalsContact C-N 3.34Å; R226-L228 PolarHBondContact O-N 3Å; R226-S229 PolarHBondContact O-N 3.45Å; R226-S229 PolarHBondContact O-OG 3.2Å
227S38.4Very low46.2Very low27 Ų27108.4 Ų108.419%0.18955%0.546CS..G310 helixtrans-76.5-17-177.380.50000114.6R189 F223 S224 N225 S229R189-S227 PolarHBondContact NH1-O 3.4Å; F223-S227 PolarHBondContact O-N 3.29Å; S224-S227 PolarHBondContact O-N 3.5Å; S224-S227 PolarHBondContact O-OG 3.15Å; N225-S227 VanDerWaalsContact C-N 3.27Å; S227-S229 VanDerWaalsContact C-N 3.28Å; S227-S229 PolarHBondContact O-N 3.34Å
228L39.6Very low48.7Very low140 Ų140104.3 Ų104.373%0.73353%0.534SS*.G310 helixtrans-68.3-27172.2-114.297000112.3R226 F230R226-L228 VanDerWaalsContact C-N 3.34Å; R226-L228 PolarHBondContact O-N 3Å; L228-F230 PolarHBondContact O-N 3.45Å
229S37.2Very low51.4Low89 Ų8999.3 Ų99.362%0.62251%0.507SS*.G310 helixtrans-84.8-6.7-170.868.40000115R226 S227R226-S229 PolarHBondContact O-N 3.45Å; R226-S229 PolarHBondContact O-OG 3.2Å; S227-S229 VanDerWaalsContact C-N 3.28Å; S227-S229 PolarHBondContact O-N 3.34Å
230F42.5Very low54.3Low142 Ų14297 Ų9762%0.62350%0.497SS*.G310 helixtrans-110.411.7-176.9-88.8-83.7000114.8L228 P233L228-F230 PolarHBondContact O-N 3.45Å; F230-P233 HydrophobicContact CD1-CG 4.04Å; F230-P233 VanDerWaalsContact O-CD 3.28Å; F230-P233 WeakPolarHBondContact O-CD 3.45Å; F230-P233 VanDerWaalsContact O-CG 3.31Å; F230-P233 WeakPolarHBondContact O-CG 3.33Å
231G56.9Low57.2Low5 Ų597.5 Ų97.55%0.05249%0.492CS..Hα-helixtrans-66.4-41.9-177.300000115.6Q234 F235G231-Q234 PolarHBondContact O-N 3.41Å; G231-F235 WeakPolarHBondContact O-CB 3.24Å; G231-F235 PolarHBondContact O-N 3.48Å
232C66.7Low60.2Low95 Ų9591.7 Ų91.764%0.64246%0.464SS*.Hα-helixtrans-60.2-47.6-176.8-171.80000114Q234 F235 L236C232-Q234 PolarHBondContact O-N 2.95Å; C232-F235 PolarHBondContact O-N 2.96Å; C232-L236 WeakPolarHBondContact O-CB 3.17Å; C232-L236 PolarHBondContact O-N 2.89Å
233P73.4Confident63.4Low58 Ų5886.1 Ų86.138%0.37745%0.445SS..Hα-helixtrans-65.6-37.9179.722-32.5000113.3F230 L236 Q237F230-P233 HydrophobicContact CD1-CG 4.04Å; F230-P233 VanDerWaalsContact O-CD 3.28Å; F230-P233 WeakPolarHBondContact O-CD 3.45Å; F230-P233 VanDerWaalsContact O-CG 3.31Å; F230-P233 WeakPolarHBondContact O-CG 3.33Å; P233-L236 PolarHBondContact O-N 3.26Å; P233-Q237 WeakPolarHBondContact O-CB 3.23Å; P233-Q237 WeakPolarHBondContact O-CG 3.38Å; P233-Q237 PolarHBondContact O-N 3.06Å
234Q72.4Confident66.3Low98 Ų9885.1 Ų85.146%0.45844%0.44SS..Hα-helixtrans-65-47.5175.3-79.1179.7-33.400111.4G231 C232 L236 Q237 E238G231-Q234 PolarHBondContact O-N 3.41Å; C232-Q234 PolarHBondContact O-N 2.95Å; Q234-L236 VanDerWaalsContact C-N 3.31Å; Q234-L236 PolarHBondContact O-N 3.37Å; Q234-Q237 WeakPolarHBondContact O-CB 3.48Å; Q234-Q237 PolarHBondContact O-N 3.49Å; Q234-Q237 VanDerWaalsContact O-N 3.15Å; Q234-E238 PolarHBondContact O-N 2.85Å
235F78.9Confident69Low42 Ų4286.5 Ų86.518%0.18444%0.436CS..Hα-helixtrans-53.9-49.9173.4167-99.5000111.4L12 T15 Y16 G231 C232 Q237 E238 F239L12-F235 HydrophobicContact CD1-CE2 4.46Å; L12-F235 HydrophobicContact CD1-CZ 4.14Å; T15-F235 HydrophobicContact CG2-CD2 3.41Å; T15-F235 VanDerWaalsContact CG2-CD2 3.41Å; T15-F235 HydrophobicContact CG2-CE2 3.52Å; T15-F235 HydrophobicContact CG2-CG 4.48Å; Y16-F235 HydrophobicContact CD2-CD2 4.17Å; Y16-F235 AromaticContact CD2-CE2 3.42Å; Y16-F235 HydrophobicContact CD2-CE2 3.42Å; Y16-F235 VanDerWaalsContact CD2-CE2 3.42Å; Y16-F235 HydrophobicContact CD2-CZ 4.02Å; Y16-F235 HydrophobicContact CE2-CD2 4.01Å; Y16-F235 HydrophobicContact CE2-CE1 4.49Å; Y16-F235 AromaticContact CE2-CE2 3.37Å; Y16-F235 HydrophobicContact CE2-CE2 3.37Å; Y16-F235 AromaticContact CE2-CZ 3.65Å; Y16-F235 HydrophobicContact CE2-CZ 3.65Å; G231-F235 WeakPolarHBondContact O-CB 3.24Å; G231-F235 PolarHBondContact O-N 3.48Å; C232-F235 PolarHBondContact O-N 2.96Å; F235-Q237 VanDerWaalsContact C-N 3.28Å; F235-Q237 PolarHBondContact O-N 3.33Å; F235-E238 PolarHBondContact O-N 3.24Å; F235-F239 HydrophobicContact CE1-CB 4.41Å; F235-F239 HydrophobicContact CE2-CB 4.21Å; F235-F239 HydrophobicContact CZ-CB 4.03Å; F235-F239 HydrophobicContact CZ-CG 4.26Å; F235-F239 VanDerWaalsContact O-CB 3.23Å; F235-F239 WeakPolarHBondContact O-CB 3.28Å; F235-F239 PolarHBondContact O-N 3.25Å
236L80.3Confident72.1Confident97 Ų9780.3 Ų80.351%0.50840%0.402SS..Hα-helixtrans-63.8-36.5-178.4-171.267.2000111.2C232 P233 Q234 T240C232-L236 WeakPolarHBondContact O-CB 3.17Å; C232-L236 PolarHBondContact O-N 2.89Å; P233-L236 PolarHBondContact O-N 3.26Å; Q234-L236 VanDerWaalsContact C-N 3.31Å; Q234-L236 PolarHBondContact O-N 3.37Å; L236-T240 WeakPolarHBondContact O-CB 3.48Å; L236-T240 PolarHBondContact O-N 3.31Å; L236-T240 PolarHBondContact O-OG1 2.89Å
237Q83.2Confident75.3Confident136 Ų13677.3 Ų77.364%0.63640%0.395SS*.Hα-helixtrans-65.6-49175.6-77.9173.2-8.800112.1P233 Q234 F235 T240 S241P233-Q237 WeakPolarHBondContact O-CB 3.23Å; P233-Q237 WeakPolarHBondContact O-CG 3.38Å; P233-Q237 PolarHBondContact O-N 3.06Å; Q234-Q237 WeakPolarHBondContact O-CB 3.48Å; Q234-Q237 PolarHBondContact O-N 3.49Å; Q234-Q237 VanDerWaalsContact O-N 3.15Å; F235-Q237 VanDerWaalsContact C-N 3.28Å; F235-Q237 PolarHBondContact O-N 3.33Å; Q237-T240 PolarHBondContact O-N 3.07Å; Q237-S241 WeakPolarHBondContact O-CB 3.27Å; Q237-S241 PolarHBondContact O-N 2.97Å
238E83.2Confident78Confident77 Ų7777.2 Ų77.236%0.3639%0.394SS..Hα-helixtrans-64.8-47.8178.5-73.9177.9-165.500111.7T15 L185 Q234 F235 T240 S241 N242T15-E238 HydrophobicContact CG2-CB 3.78Å; L185-E238 WeakPolarHBondContact CD1-OE2 3.07Å; Q234-E238 PolarHBondContact O-N 2.85Å; F235-E238 PolarHBondContact O-N 3.24Å; E238-T240 VanDerWaalsContact C-N 3.33Å; E238-T240 PolarHBondContact O-N 3.37Å; E238-S241 WeakPolarHBondContact O-CB 3.25Å; E238-S241 PolarHBondContact O-N 3.07Å; E238-S241 VanDerWaalsContact O-N 3.12Å; E238-N242 WeakPolarHBondContact O-CB 3.34Å; E238-N242 PolarHBondContact O-N 2.91Å; E238-N242 PolarHBondContact O-ND2 3.49Å
239F88.1Confident80.6Confident29 Ų2974.5 Ų74.513%0.12739%0.385CS..Hα-helixtrans-58.6-46.1175.2176.5-102.1000111F8 P11 L12 T15 F235 S241 N242 F243F8-F239 AromaticContact CD2-CZ 3.89Å; F8-F239 HydrophobicContact CD2-CZ 3.89Å; F8-F239 HydrophobicContact CE2-CE1 4.3Å; F8-F239 HydrophobicContact CE2-CE2 4.29Å; F8-F239 AromaticContact CE2-CZ 3.51Å; F8-F239 HydrophobicContact CE2-CZ 3.51Å; F8-F239 HydrophobicContact CZ-CZ 4.24Å; P11-F239 HydrophobicContact CB-CD2 4.39Å; P11-F239 HydrophobicContact CB-CE2 4.13Å; L12-F239 HydrophobicContact CB-CE2 4.12Å; L12-F239 HydrophobicContact CD1-CD2 4.43Å; L12-F239 HydrophobicContact CD1-CE2 4.41Å; T15-F239 HydrophobicContact CG2-CB 4.31Å; F235-F239 HydrophobicContact CE1-CB 4.41Å; F235-F239 HydrophobicContact CE2-CB 4.21Å; F235-F239 HydrophobicContact CZ-CB 4.03Å; F235-F239 HydrophobicContact CZ-CG 4.26Å; F235-F239 VanDerWaalsContact O-CB 3.23Å; F235-F239 WeakPolarHBondContact O-CB 3.28Å; F235-F239 PolarHBondContact O-N 3.25Å; F239-S241 VanDerWaalsContact C-N 3.3Å; F239-S241 PolarHBondContact O-N 3.01Å; F239-N242 PolarHBondContact O-N 3.47Å; F239-F243 HydrophobicContact CZ-CD2 4.1Å; F239-F243 WeakPolarHBondContact O-CB 2.98Å; F239-F243 PolarHBondContact O-N 2.8Å
240T89.5Confident83.3Confident55 Ų5576.6 Ų76.634%0.33738%0.383SS..Hα-helixtrans-62.8-37.7177-620000111.5L236 Q237 E238 K244L236-T240 WeakPolarHBondContact O-CB 3.48Å; L236-T240 PolarHBondContact O-N 3.31Å; L236-T240 PolarHBondContact O-OG1 2.89Å; Q237-T240 PolarHBondContact O-N 3.07Å; E238-T240 VanDerWaalsContact C-N 3.33Å; E238-T240 PolarHBondContact O-N 3.37Å; T240-K244 HydrophobicContact CG2-CD 4.22Å; T240-K244 HydrophobicContact CG2-CG 4.47Å; T240-K244 WeakPolarHBondContact O-CB 3.38Å; T240-K244 VanDerWaalsContact O-CG 3.23Å; T240-K244 WeakPolarHBondContact O-CG 3.14Å; T240-K244 PolarHBondContact O-N 2.89Å
241S89.9Confident85.8Confident58 Ų5869.8 Ų69.841%0.40635%0.353SS..Hα-helixtrans-64.1-50.7175.9-174.50000111.4Q237 E238 F239 F243 K244 R245Q237-S241 WeakPolarHBondContact O-CB 3.27Å; Q237-S241 PolarHBondContact O-N 2.97Å; E238-S241 WeakPolarHBondContact O-CB 3.25Å; E238-S241 PolarHBondContact O-N 3.07Å; E238-S241 VanDerWaalsContact O-N 3.12Å; F239-S241 VanDerWaalsContact C-N 3.3Å; F239-S241 PolarHBondContact O-N 3.01Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 3.27Å; S241-K244 PolarHBondContact O-N 3.44Å; S241-R245 PolarHBondContact O-N 3.31Å
242N91.2Very high87.6Confident21 Ų2175.7 Ų75.711%0.11237%0.374CS..Hα-helixtrans-62.9-38.7177.4-69.9-26.7000111.6P11 T15 E238 F239 R245P11-N242 HydrophobicContact CB-CB 3.83Å; T15-N242 PolarHBondContact OG1-ND2 3.02Å; E238-N242 WeakPolarHBondContact O-CB 3.34Å; E238-N242 PolarHBondContact O-N 2.91Å; E238-N242 PolarHBondContact O-ND2 3.49Å; F239-N242 PolarHBondContact O-N 3.47Å; N242-R245 WeakPolarHBondContact O-CB 3.34Å; N242-R245 PolarHBondContact O-N 3.45Å
243F93.5Very high89Confident74 Ų7479.4 Ų79.433%0.32538%0.379SS..Hα-helixtrans-67.2-39.9176.1-167.6-96.5000112P11 F239 S241 R245 L246 F247P11-F243 HydrophobicContact CG-CD2 4.42Å; F239-F243 HydrophobicContact CZ-CD2 4.1Å; F239-F243 WeakPolarHBondContact O-CB 2.98Å; F239-F243 PolarHBondContact O-N 2.8Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 3.27Å; F243-R245 PolarHBondContact O-N 3.33Å; F243-L246 HydrophobicContact CD2-CD1 3.7Å; F243-L246 HydrophobicContact CE2-CD1 3.8Å; F243-L246 HydrophobicContact CG-CD1 4.19Å; F243-L246 HydrophobicContact CZ-CD1 4.37Å; F243-L246 VanDerWaalsContact O-CB 3.32Å; F243-L246 WeakPolarHBondContact O-CB 3.3Å; F243-L246 WeakPolarHBondContact O-CD1 3.39Å; F243-L246 PolarHBondContact O-N 3.1Å; F243-L246 VanDerWaalsContact O-N 3.17Å; F243-F247 HydrophobicContact CD1-CE2 4.41Å; F243-F247 AromaticContact CE1-CE2 3.91Å; F243-F247 HydrophobicContact CE1-CE2 3.91Å; F243-F247 HydrophobicContact CZ-CE2 4.46Å
244K94.4Very high90Very high143 Ų14378.2 Ų78.262%0.62237%0.37SS*.Hα-helixtrans-60.4-29.2174.7-80.6173.5179.2178.50112.7T240 S241 L246 F247T240-K244 HydrophobicContact CG2-CD 4.22Å; T240-K244 HydrophobicContact CG2-CG 4.47Å; T240-K244 WeakPolarHBondContact O-CB 3.38Å; T240-K244 VanDerWaalsContact O-CG 3.23Å; T240-K244 WeakPolarHBondContact O-CG 3.14Å; T240-K244 PolarHBondContact O-N 2.89Å; S241-K244 PolarHBondContact O-N 3.44Å; K244-L246 PolarHBondContact O-N 3.14Å; K244-F247 PolarHBondContact O-N 3.35Å
245R93.7Very high91Very high95 Ų9576.9 Ų76.936%0.35837%0.37SS..Hα-helixtrans-62.8-25.2177.4-67.1178.9179.7-175.22.4113.4S241 N242 F243 F247 S248 L251 L445 S448S241-R245 PolarHBondContact O-N 3.31Å; N242-R245 WeakPolarHBondContact O-CB 3.34Å; N242-R245 PolarHBondContact O-N 3.45Å; F243-R245 PolarHBondContact O-N 3.33Å; R245-F247 PolarHBondContact O-N 3.33Å; R245-S248 WeakPolarHBondContact O-CB 3.49Å; R245-S248 PolarHBondContact O-N 2.94Å; R245-L251 WeakPolarHBondContact O-CD1 3.44Å; R245-L445 HydrophobicContact CB-CD2 4.17Å; R245-S448 VanDerWaalsContact CB-OG 3.26Å; R245-S448 WeakPolarHBondContact CB-OG 3.16Å
246L94.2Very high91.8Very high5 Ų577.2 Ų77.23%0.02637%0.373CS..THydrogen-bonded Turntrans-58-30.9172.1-68.7160.4000112.8P7 P11 F243 K244 W252 S448 L452P7-L246 HydrophobicContact CB-CD1 4.35Å; P7-L246 HydrophobicContact CB-CD2 4.06Å; P7-L246 WeakPolarHBondContact O-CD1 3.44Å; P11-L246 HydrophobicContact CG-CD1 4.03Å; P11-L246 HydrophobicContact CG-CG 4.42Å; F243-L246 HydrophobicContact CD2-CD1 3.7Å; F243-L246 HydrophobicContact CE2-CD1 3.8Å; F243-L246 HydrophobicContact CG-CD1 4.19Å; F243-L246 HydrophobicContact CZ-CD1 4.37Å; F243-L246 VanDerWaalsContact O-CB 3.32Å; F243-L246 WeakPolarHBondContact O-CB 3.3Å; F243-L246 WeakPolarHBondContact O-CD1 3.39Å; F243-L246 PolarHBondContact O-N 3.1Å; F243-L246 VanDerWaalsContact O-N 3.17Å; K244-L246 PolarHBondContact O-N 3.14Å; L246-W252 PolarHBondContact O-NE1 3.23Å; L246-S448 PolarHBondContact N-OG 2.84Å; L246-L452 HydrophobicContact CD2-CG 4.29Å
247F95.3Very high92.6Very high138 Ų13872.8 Ų72.861%0.60535%0.35SS*.THydrogen-bonded Turntrans-98.414.1179.9-58.3-80.1000112.3F243 K244 R245 P249F243-F247 HydrophobicContact CD1-CE2 4.41Å; F243-F247 AromaticContact CE1-CE2 3.91Å; F243-F247 HydrophobicContact CE1-CE2 3.91Å; F243-F247 HydrophobicContact CZ-CE2 4.46Å; K244-F247 PolarHBondContact O-N 3.35Å; R245-F247 PolarHBondContact O-N 3.33Å; F247-P249 WeakPolarHBondContact O-CD 3.21Å
248S94.2Very high93.2Very high24 Ų2469.1 Ų69.117%0.16833%0.334CS..  trans-59.5127.4178.2178.90000110.9R245 K250 L251 W252R245-S248 WeakPolarHBondContact O-CB 3.49Å; R245-S248 PolarHBondContact O-N 2.94Å; S248-K250 PolarHBondContact O-N 3.24Å; S248-K250 VanDerWaalsContact O-N 3.09Å; S248-K250 PolarHBondContact OG-N 3.31Å; S248-L251 PolarHBondContact O-N 3.28Å; S248-W252 PolarHBondContact O-N 3.32Å
249P94.7Very high93.8Very high83 Ų8369.3 Ų69.354%0.53933%0.334SS..Hα-helixtrans-57.4-26174.9-25.834.4000113.2F247 L251 W252 K253F247-P249 WeakPolarHBondContact O-CD 3.21Å; P249-L251 PolarHBondContact O-N 3.01Å; P249-W252 PolarHBondContact O-N 3.23Å; P249-K253 HydrophobicContact CB-CD 4.36Å; P249-K253 VanDerWaalsContact O-CB 3.24Å; P249-K253 WeakPolarHBondContact O-CB 3.4Å; P249-K253 WeakPolarHBondContact O-CG 3.29Å; P249-K253 PolarHBondContact O-N 3.02Å
250K93.2Very high94.2Very high133 Ų13368.2 Ų68.258%0.57833%0.329SS*.Hα-helixtrans-61.8-28.4175.7-68.1-178.1-180175.50112.5S248 N254 E444 L445S248-K250 PolarHBondContact O-N 3.24Å; S248-K250 VanDerWaalsContact O-N 3.09Å; S248-K250 PolarHBondContact OG-N 3.31Å; K250-N254 VanDerWaalsContact O-CB 3.28Å; K250-N254 WeakPolarHBondContact O-CB 3.46Å; K250-E444 IonicContact NZ-OE2 3.94Å; K250-L445 HydrophobicContact CB-CD1 3.69Å; K250-L445 HydrophobicContact CD-CD1 4.03Å
251L94.2Very high94.6Very high0 Ų066.3 Ų66.30%032%0.317CS..Hα-helixtrans-80.6-55.1174.6-70.3169.5000110.6R245 S248 P249 K253 N254 F257 V441 L445 L452R245-L251 WeakPolarHBondContact O-CD1 3.44Å; S248-L251 PolarHBondContact O-N 3.28Å; P249-L251 PolarHBondContact O-N 3.01Å; L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.32Å; L251-N254 PolarHBondContact O-N 2.87Å; L251-F257 HydrophobicContact CB-CD1 4.45Å; L251-F257 HydrophobicContact CB-CE1 4.39Å; L251-F257 HydrophobicContact CD2-CD1 4.35Å; L251-F257 HydrophobicContact CD2-CE1 4.19Å; L251-F257 HydrophobicContact CD2-CZ 4.36Å; L251-V441 HydrophobicContact CD2-CB 3.9Å; L251-V441 HydrophobicContact CD2-CG1 3.64Å; L251-V441 HydrophobicContact CD2-CG2 4.36Å; L251-L445 HydrophobicContact CD1-CD2 4.48Å; L251-L445 HydrophobicContact CD2-CB 4.09Å; L251-L445 HydrophobicContact CD2-CD1 4.35Å; L251-L445 HydrophobicContact CG-CB 4.45Å; L251-L445 HydrophobicContact CG-CD1 4.17Å; L251-L452 HydrophobicContact CD1-CD1 4.14Å
252W95.9Very high94.9Very high128 Ų12867 Ų6749%0.48532%0.316SS..Hα-helixtrans-73.9-16.7-171.3-66.997000114.8L246 S248 P249 L258 L452L246-W252 PolarHBondContact O-NE1 3.23Å; S248-W252 PolarHBondContact O-N 3.32Å; P249-W252 PolarHBondContact O-N 3.23Å; W252-L258 HydrophobicContact CE3-CD2 4.28Å; W252-L258 WeakPolarHBondContact O-CD1 3.14Å; W252-L452 HydrophobicContact CH2-CD2 4.29Å; W252-L452 HydrophobicContact CZ2-CD1 3.88Å; W252-L452 HydrophobicContact CZ2-CD2 3.74Å; W252-L452 HydrophobicContact CZ2-CG 4.49Å
253K95.7Very high95.2Very high173 Ų17366 Ų6675%0.75231%0.311SS*.THydrogen-bonded Turntrans-99.3-2.3173.5-63.1-176.9175.7-177.20113.3P249 L251 P255P249-K253 HydrophobicContact CB-CD 4.36Å; P249-K253 VanDerWaalsContact O-CB 3.24Å; P249-K253 WeakPolarHBondContact O-CB 3.4Å; P249-K253 WeakPolarHBondContact O-CG 3.29Å; P249-K253 PolarHBondContact O-N 3.02Å; L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.32Å; K253-P255 WeakPolarHBondContact O-CD 3.49Å
254N95.1Very high95.3Very high34 Ų3463 Ų6318%0.18230%0.298CS..  trans-86107.6-178.9-176.1-18.1000110.3K250 L251 N256 F257 L258 I440K250-N254 VanDerWaalsContact O-CB 3.28Å; K250-N254 WeakPolarHBondContact O-CB 3.46Å; L251-N254 PolarHBondContact O-N 2.87Å; N254-N256 VanDerWaalsContact C-N 3.28Å; N254-N256 PolarHBondContact O-N 3.4Å; N254-N256 WeakPolarHBondContact OD1-CB 3.36Å; N254-N256 PolarHBondContact OD1-N 3.38Å; N254-F257 HydrophobicContact CB-CB 4.04Å; N254-F257 PolarHBondContact O-N 2.96Å; N254-F257 PolarHBondContact OD1-N 2.92Å; N254-L258 PolarHBondContact O-N 3.13Å; N254-L258 VanDerWaalsContact O-N 3.1Å; N254-I440 PolarHBondContact ND2-O 3.48Å
255P93.7Very high95.4Very high70 Ų7056.1 Ų56.146%0.45527%0.268SS..Hα-helixtrans-65.1-32.4-177.427.4-35.2000112.2K253 F257 L258 F259K253-P255 WeakPolarHBondContact O-CD 3.49Å; P255-F257 VanDerWaalsContact C-N 3.29Å; P255-F257 PolarHBondContact O-N 2.77Å; P255-L258 PolarHBondContact O-N 3.4Å; P255-F259 WeakPolarHBondContact O-CB 3.37Å; P255-F259 VanDerWaalsContact O-CD2 3.27Å; P255-F259 WeakPolarHBondContact O-CD2 3.44Å; P255-F259 PolarHBondContact O-N 3.36Å
256N94.4Very high95.6Very high49 Ų4952.7 Ų52.726%0.26226%0.257SS..Hα-helixtrans-62.9-41.5177.9-62.6-10.7000110.6N254 Y260 I440 K499N254-N256 VanDerWaalsContact C-N 3.28Å; N254-N256 PolarHBondContact O-N 3.4Å; N254-N256 WeakPolarHBondContact OD1-CB 3.36Å; N254-N256 PolarHBondContact OD1-N 3.38Å; N256-Y260 WeakPolarHBondContact O-CB 3.26Å; N256-Y260 PolarHBondContact O-N 3.31Å; N256-Y260 VanDerWaalsContact O-N 3.1Å; N256-I440 HydrophobicContact CB-CG1 4.35Å; N256-I440 HydrophobicContact CB-CG2 3.84Å; N256-K499 VanDerWaalsContact OD1-CE 3.22Å; N256-K499 WeakPolarHBondContact OD1-CE 3.37Å; N256-K499 PolarHBondContact OD1-NZ 3.28Å
257F96.7Very high95.7Very high4 Ų452.5 Ų52.52%0.01826%0.255CS..Hα-helixtrans-68.1-49.5179-179-112.8000111.5L251 N254 P255 F259 Y260 V261 I440 V441 L452L251-F257 HydrophobicContact CB-CD1 4.45Å; L251-F257 HydrophobicContact CB-CE1 4.39Å; L251-F257 HydrophobicContact CD2-CD1 4.35Å; L251-F257 HydrophobicContact CD2-CE1 4.19Å; L251-F257 HydrophobicContact CD2-CZ 4.36Å; N254-F257 HydrophobicContact CB-CB 4.04Å; N254-F257 PolarHBondContact O-N 2.96Å; N254-F257 PolarHBondContact OD1-N 2.92Å; P255-F257 VanDerWaalsContact C-N 3.29Å; P255-F257 PolarHBondContact O-N 2.77Å; F257-F259 PolarHBondContact O-N 3.06Å; F257-Y260 PolarHBondContact O-N 3.11Å; F257-V261 HydrophobicContact CD1-CG2 4.37Å; F257-V261 HydrophobicContact CD2-CG2 4.03Å; F257-V261 HydrophobicContact CE1-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.61Å; F257-V261 HydrophobicContact CG-CG2 4.39Å; F257-V261 HydrophobicContact CZ-CG2 3.58Å; F257-V261 WeakPolarHBondContact O-CG2 3.4Å; F257-V261 PolarHBondContact O-N 3.44Å; F257-I440 HydrophobicContact CB-CG2 3.7Å; F257-V441 HydrophobicContact CB-CG1 4.14Å; F257-V441 HydrophobicContact CD2-CG1 3.42Å; F257-V441 VanDerWaalsContact CD2-CG1 3.42Å; F257-V441 HydrophobicContact CE2-CG1 3.96Å; F257-V441 HydrophobicContact CG-CG1 3.83Å; F257-L452 HydrophobicContact CE1-CD1 4.14Å; F257-L452 HydrophobicContact CZ-CB 4.17Å; F257-L452 HydrophobicContact CZ-CD1 4.42Å
258L96.8Very high95.7Very high58 Ų5846.2 Ų46.230%0.30423%0.23SC..Hα-helixtrans-60.8-48.9-178.3-68.3178.6000112.4W252 N254 P255 Y260 V261 I262W252-L258 HydrophobicContact CE3-CD2 4.28Å; W252-L258 WeakPolarHBondContact O-CD1 3.14Å; N254-L258 PolarHBondContact O-N 3.13Å; N254-L258 VanDerWaalsContact O-N 3.1Å; P255-L258 PolarHBondContact O-N 3.4Å; L258-Y260 VanDerWaalsContact C-N 3.29Å; L258-Y260 PolarHBondContact O-N 3.44Å; L258-V261 PolarHBondContact O-N 3Å; L258-I262 WeakPolarHBondContact O-CB 3.36Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 PolarHBondContact O-N 2.87Å
259F95.6Very high95.8Very high81 Ų8145.4 Ų45.436%0.35523%0.225SC..Hα-helixtrans-64-36.7177.7-84.8-98000111.7P255 F257 A263 K499P255-F259 WeakPolarHBondContact O-CB 3.37Å; P255-F259 VanDerWaalsContact O-CD2 3.27Å; P255-F259 WeakPolarHBondContact O-CD2 3.44Å; P255-F259 PolarHBondContact O-N 3.36Å; F257-F259 PolarHBondContact O-N 3.06Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 2.93Å; F259-K499 HydrophobicContact CB-CG 4.26Å; F259-K499 HydrophobicContact CD1-CB 3.69Å; F259-K499 HydrophobicContact CD1-CG 3.87Å; F259-K499 HydrophobicContact CD2-CG 4.07Å; F259-K499 HydrophobicContact CE1-CB 3.89Å; F259-K499 HydrophobicContact CE1-CG 4.18Å; F259-K499 HydrophobicContact CE2-CG 4.36Å; F259-K499 HydrophobicContact CG-CB 4.16Å; F259-K499 HydrophobicContact CG-CG 3.8Å; F259-K499 HydrophobicContact CZ-CB 4.5Å; F259-K499 HydrophobicContact CZ-CG 4.4Å
260Y96.6Very high95.9Very high6 Ų641.5 Ų41.52%0.02420%0.199CC..Hα-helixtrans-65.2-47.5176.5179.6-110000112.4N256 F257 L258 I262 A263 N264 F375 F433 L436 I437 I440 F453N256-Y260 WeakPolarHBondContact O-CB 3.26Å; N256-Y260 PolarHBondContact O-N 3.31Å; N256-Y260 VanDerWaalsContact O-N 3.1Å; F257-Y260 PolarHBondContact O-N 3.11Å; L258-Y260 VanDerWaalsContact C-N 3.29Å; L258-Y260 PolarHBondContact O-N 3.44Å; Y260-I262 PolarHBondContact O-N 3.08Å; Y260-A263 PolarHBondContact O-N 3.41Å; Y260-N264 VanDerWaalsContact O-CB 3.25Å; Y260-N264 WeakPolarHBondContact O-CB 3.04Å; Y260-N264 PolarHBondContact O-N 2.89Å; Y260-F375 HydrophobicContact CD2-CE1 4.16Å; Y260-F375 HydrophobicContact CD2-CZ 4.32Å; Y260-F375 HydrophobicContact CE2-CD1 4.19Å; Y260-F375 HydrophobicContact CE2-CD2 4.2Å; Y260-F375 AromaticContact CE2-CE1 3.89Å; Y260-F375 HydrophobicContact CE2-CE1 3.89Å; Y260-F375 AromaticContact CE2-CE2 3.91Å; Y260-F375 HydrophobicContact CE2-CE2 3.91Å; Y260-F375 HydrophobicContact CE2-CG 4.34Å; Y260-F375 AromaticContact CE2-CZ 3.75Å; Y260-F375 HydrophobicContact CE2-CZ 3.75Å; Y260-F433 WeakPolarHBondContact OH-CA 3.36Å; Y260-F433 WeakPolarHBondContact OH-CB 3Å; Y260-L436 HydrophobicContact CD2-CD1 4.16Å; Y260-L436 HydrophobicContact CE1-CB 4.03Å; Y260-L436 HydrophobicContact CE2-CB 4.05Å; Y260-L436 HydrophobicContact CE2-CD1 3.37Å; Y260-L436 HydrophobicContact CE2-CG 4.32Å; Y260-I437 HydrophobicContact CD1-CG1 4.44Å; Y260-I437 HydrophobicContact CE1-CG1 4.01Å; Y260-I440 HydrophobicContact CD1-CD1 4.13Å; Y260-I440 HydrophobicContact CG-CD1 3.95Å; Y260-F453 HydrophobicContact CD1-CD2 4.34Å; Y260-F453 HydrophobicContact CD1-CE2 4.36Å; Y260-F453 AromaticContact CE1-CD2 3.89Å; Y260-F453 HydrophobicContact CE1-CD2 3.89Å; Y260-F453 AromaticContact CE1-CE2 3.59Å; Y260-F453 HydrophobicContact CE1-CE2 3.59Å
261V97.4Very high96Very high15 Ų1535.9 Ų35.99%0.09118%0.176CC..Hα-helixtrans-60.8-44.8177.2171.30000110.8F257 L258 G265 F453 F456F257-V261 HydrophobicContact CD1-CG2 4.37Å; F257-V261 HydrophobicContact CD2-CG2 4.03Å; F257-V261 HydrophobicContact CE1-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.61Å; F257-V261 HydrophobicContact CG-CG2 4.39Å; F257-V261 HydrophobicContact CZ-CG2 3.58Å; F257-V261 WeakPolarHBondContact O-CG2 3.4Å; F257-V261 PolarHBondContact O-N 3.44Å; L258-V261 PolarHBondContact O-N 3Å; V261-G265 PolarHBondContact O-N 3.35Å; V261-F453 HydrophobicContact CG2-CB 4.33Å; V261-F453 HydrophobicContact CG2-CD2 4.28Å; V261-F456 HydrophobicContact CG1-CB 3.66Å; V261-F456 HydrophobicContact CG1-CD1 3.78Å; V261-F456 HydrophobicContact CG1-CG 3.81Å; V261-F456 VanDerWaalsContact O-CD1 3.3Å; V261-F456 WeakPolarHBondContact O-CD1 3.15Å
262I97.1Very high96.1Very high74 Ų7437 Ų3738%0.37918%0.183SC..Hα-helixtrans-63.2-51.6178.6-68.6167000110.8L258 Y260 N264 G265 I266 F456L258-I262 WeakPolarHBondContact O-CB 3.36Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 PolarHBondContact O-N 2.87Å; Y260-I262 PolarHBondContact O-N 3.08Å; I262-N264 PolarHBondContact O-N 3.26Å; I262-G265 PolarHBondContact O-N 2.98Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 VanDerWaalsContact O-CG1 3.32Å; I262-I266 WeakPolarHBondContact O-CG1 3.49Å; I262-I266 PolarHBondContact O-N 2.88Å; I262-F456 HydrophobicContact CG1-CZ 4.4Å
263A97.1Very high96.1Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-62-43.2-179.200000111.9F259 Y260 I266 A267 A492 V496F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 2.93Å; Y260-A263 PolarHBondContact O-N 3.41Å; A263-I266 PolarHBondContact O-N 3Å; A263-A267 WeakPolarHBondContact O-CB 3.5Å; A263-A267 PolarHBondContact O-N 2.92Å; A263-A492 HydrophobicContact CB-CB 4.27Å; A263-A492 WeakPolarHBondContact O-CB 3.41Å; A263-V496 HydrophobicContact CB-CG2 3.4Å; A263-V496 VanDerWaalsContact CB-CG2 3.4Å
264N95.8Very high96Very high9 Ų922.7 Ų22.75%0.04812%0.124CC..Hα-helixtrans-66.9-38.5177.1-173-80.4000112.3Y260 I262 A267 G268 F453 N457Y260-N264 VanDerWaalsContact O-CB 3.25Å; Y260-N264 WeakPolarHBondContact O-CB 3.04Å; Y260-N264 PolarHBondContact O-N 2.89Å; I262-N264 PolarHBondContact O-N 3.26Å; N264-A267 PolarHBondContact O-N 3.23Å; N264-G268 PolarHBondContact O-N 3.49Å; N264-F453 HydrophobicContact CB-CD2 4.48Å; N264-F453 HydrophobicContact CB-CE2 3.54Å; N264-F453 HydrophobicContact CB-CZ 4.11Å; N264-F453 VanDerWaalsContact OD1-CE2 3.27Å; N264-F453 WeakPolarHBondContact OD1-CE2 3.17Å; N264-F453 WeakPolarHBondContact OD1-CZ 3.19Å; N264-N457 PolarHBondContact OD1-ND2 3.27Å
265G96.7Very high95.9Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-60.6-48174.200000111.9V261 I262 A267 G268 A269 M460V261-G265 PolarHBondContact O-N 3.35Å; I262-G265 PolarHBondContact O-N 2.98Å; G265-A267 VanDerWaalsContact C-N 3.33Å; G265-A267 PolarHBondContact O-N 3.1Å; G265-G268 WeakPolarHBondContact O-CA 3.42Å; G265-G268 PolarHBondContact O-N 2.88Å; G265-G268 VanDerWaalsContact O-N 3.09Å; G265-A269 PolarHBondContact O-N 3.42Å; G265-M460 WeakPolarHBondContact O-CB 3.42Å
266I97.3Very high95.9Very high23 Ų2325.3 Ų25.312%0.11813%0.129CC..Hα-helixtrans-57.7-46.8175.5-68.8166.5000110.9I262 A263 G268 A269 G270 L488 F491 A492 L495I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 VanDerWaalsContact O-CG1 3.32Å; I262-I266 WeakPolarHBondContact O-CG1 3.49Å; I262-I266 PolarHBondContact O-N 2.88Å; A263-I266 PolarHBondContact O-N 3Å; I266-G268 VanDerWaalsContact C-N 3.3Å; I266-G268 PolarHBondContact O-N 3Å; I266-A269 WeakPolarHBondContact O-CB 3.37Å; I266-A269 PolarHBondContact O-N 3.29Å; I266-G270 PolarHBondContact O-N 3.3Å; I266-L488 HydrophobicContact CG2-CB 4.15Å; I266-L488 HydrophobicContact CG2-CD2 3.97Å; I266-L488 VanDerWaalsContact CG2-O 3.3Å; I266-L488 WeakPolarHBondContact CG2-O 3.38Å; I266-F491 HydrophobicContact CD1-CD1 3.98Å; I266-F491 HydrophobicContact CD1-CE1 3.87Å; I266-F491 HydrophobicContact CG2-CD1 4.01Å; I266-A492 HydrophobicContact CB-CB 4.35Å; I266-A492 HydrophobicContact CG2-CB 4.12Å; I266-L495 HydrophobicContact CD1-CD1 3.47Å; I266-L495 VanDerWaalsContact CD1-CD1 3.47Å
267A96.7Very high95.9Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-60.6-40.4175.400000111.6A263 N264 G265 A269 G270 V271 L379 A492A263-A267 WeakPolarHBondContact O-CB 3.5Å; A263-A267 PolarHBondContact O-N 2.92Å; N264-A267 PolarHBondContact O-N 3.23Å; G265-A267 VanDerWaalsContact C-N 3.33Å; G265-A267 PolarHBondContact O-N 3.1Å; A267-A269 PolarHBondContact O-N 3.42Å; A267-G270 WeakPolarHBondContact O-CA 3.45Å; A267-G270 PolarHBondContact O-N 3.21Å; A267-V271 WeakPolarHBondContact O-CB 3.23Å; A267-V271 VanDerWaalsContact O-CG2 3.22Å; A267-V271 WeakPolarHBondContact O-CG2 3.43Å; A267-V271 PolarHBondContact O-N 2.98Å; A267-L379 HydrophobicContact CB-CD2 3.5Å; A267-A492 HydrophobicContact CB-CB 4.04Å
268G95.5Very high95.8Very high7 Ų723.8 Ų23.87%0.07212%0.12CC..Hα-helixtrans-57-45.1174.600000112.9N264 G265 I266 G270 V271 V272 N461N264-G268 PolarHBondContact O-N 3.49Å; G265-G268 WeakPolarHBondContact O-CA 3.42Å; G265-G268 PolarHBondContact O-N 2.88Å; G265-G268 VanDerWaalsContact O-N 3.09Å; I266-G268 VanDerWaalsContact C-N 3.3Å; I266-G268 PolarHBondContact O-N 3Å; G268-G270 PolarHBondContact O-N 3.4Å; G268-V271 PolarHBondContact O-N 3.4Å; G268-V272 PolarHBondContact O-N 3.33Å; G268-N461 WeakPolarHBondContact CA-OD1 3.36Å; G268-N461 PolarHBondContact O-OD1 2.76Å
269A96.3Very high95.6Very high7 Ų724 Ų246%0.05812%0.117CC..Hα-helixtrans-59.6-33.8174.200000113.1G265 I266 A267 V272 I273 M460 L488G265-A269 PolarHBondContact O-N 3.42Å; I266-A269 WeakPolarHBondContact O-CB 3.37Å; I266-A269 PolarHBondContact O-N 3.29Å; A267-A269 PolarHBondContact O-N 3.42Å; A269-V272 WeakPolarHBondContact O-CG1 3.15Å; A269-I273 WeakPolarHBondContact O-CD1 3.47Å; A269-I273 WeakPolarHBondContact O-CG1 3.31Å; A269-M460 HydrophobicContact CB-CB 4.13Å; A269-M460 VanDerWaalsContact CB-O 3.28Å; A269-M460 WeakPolarHBondContact CB-O 3.41Å; A269-L488 HydrophobicContact CB-CD1 4.06Å
270G95.7Very high95.5Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-73.3-49.8173.300000112.1I266 A267 G268 V272 I273 P274 A485I266-G270 PolarHBondContact O-N 3.3Å; A267-G270 WeakPolarHBondContact O-CA 3.45Å; A267-G270 PolarHBondContact O-N 3.21Å; G268-G270 PolarHBondContact O-N 3.4Å; G270-V272 VanDerWaalsContact C-N 3.3Å; G270-V272 PolarHBondContact O-N 3.28Å; G270-I273 PolarHBondContact O-N 3.48Å; G270-I273 VanDerWaalsContact O-N 3.16Å; G270-P274 WeakPolarHBondContact O-CD 3.37Å; G270-A485 WeakPolarHBondContact O-CB 3.49Å
271V95.6Very high95.3Very high16 Ų1623 Ų2310%0.09712%0.116CC..Hα-helixtrans-58.6-37.8-176.7165.90000113A267 G268 I273 P274 N426 L429A267-V271 WeakPolarHBondContact O-CB 3.23Å; A267-V271 VanDerWaalsContact O-CG2 3.22Å; A267-V271 WeakPolarHBondContact O-CG2 3.43Å; A267-V271 PolarHBondContact O-N 2.98Å; G268-V271 PolarHBondContact O-N 3.4Å; V271-I273 VanDerWaalsContact C-N 3.25Å; V271-I273 PolarHBondContact O-N 2.91Å; V271-P274 WeakPolarHBondContact O-CD 3.4Å; V271-N426 HydrophobicContact CG1-CB 4.48Å; V271-N426 VanDerWaalsContact CG1-CG 3.49Å; V271-N426 WeakPolarHBondContact CG1-ND2 3.11Å; V271-N426 VanDerWaalsContact CG1-OD1 3.26Å; V271-N426 WeakPolarHBondContact CG1-OD1 3.26Å; V271-L429 HydrophobicContact CG2-CD1 3.68Å
272V95.4Very high95.2Very high23 Ų2322.3 Ų22.314%0.13911%0.112CC..Hα-helixtrans-67.1-26.4-178.175.60000112.6G268 A269 G270 T276 T465G268-V272 PolarHBondContact O-N 3.33Å; A269-V272 WeakPolarHBondContact O-CG1 3.15Å; G270-V272 VanDerWaalsContact C-N 3.3Å; G270-V272 PolarHBondContact O-N 3.28Å; V272-T276 WeakPolarHBondContact O-CB 3.31Å; V272-T276 PolarHBondContact O-N 3.31Å; V272-T276 PolarHBondContact O-OG1 2.98Å; V272-T465 HydrophobicContact CB-CG2 4.32Å; V272-T465 HydrophobicContact CG1-CG2 3.9Å; V272-T465 HydrophobicContact CG2-CG2 3.45Å; V272-T465 VanDerWaalsContact CG2-CG2 3.45Å
273I96Very high94.9Very high1 Ų119.9 Ų19.91%0.00510%0.099CC..Hα-helixtrans-68.9-55.5-174.6-66.5167.5000111.6A269 G270 V271 W275 T276 F277 A481 L482 A485A269-I273 WeakPolarHBondContact O-CD1 3.47Å; A269-I273 WeakPolarHBondContact O-CG1 3.31Å; G270-I273 PolarHBondContact O-N 3.48Å; G270-I273 VanDerWaalsContact O-N 3.16Å; V271-I273 VanDerWaalsContact C-N 3.25Å; V271-I273 PolarHBondContact O-N 2.91Å; I273-W275 VanDerWaalsContact C-N 3.28Å; I273-W275 PolarHBondContact O-N 2.78Å; I273-T276 PolarHBondContact O-N 3.3Å; I273-F277 HydrophobicContact CG2-CD2 4.07Å; I273-F277 WeakPolarHBondContact O-CD2 3.45Å; I273-F277 PolarHBondContact O-N 2.95Å; I273-A481 HydrophobicContact CG2-CB 3.95Å; I273-L482 HydrophobicContact CG2-CD2 4.2Å; I273-A485 HydrophobicContact CB-CB 3.92Å; I273-A485 HydrophobicContact CD1-CB 3.95Å; I273-A485 HydrophobicContact CG1-CB 4.5Å; I273-A485 HydrophobicContact CG2-CB 4.15Å
274P95.4Very high94.6Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-60.5-38.9174.7-2332.9000112.5G270 V271 T276 V278 T386 L389 V422 L482 A485G270-P274 WeakPolarHBondContact O-CD 3.37Å; V271-P274 WeakPolarHBondContact O-CD 3.4Å; P274-T276 VanDerWaalsContact C-N 3.28Å; P274-T276 PolarHBondContact O-N 3.43Å; P274-V278 WeakPolarHBondContact O-CB 3.17Å; P274-V278 VanDerWaalsContact O-CG1 3.3Å; P274-V278 WeakPolarHBondContact O-CG1 3.46Å; P274-V278 PolarHBondContact O-N 3.29Å; P274-V278 VanDerWaalsContact O-N 3.14Å; P274-T386 HydrophobicContact CG-CG2 3.53Å; P274-L389 HydrophobicContact CB-CD1 4.06Å; P274-V422 HydrophobicContact CB-CG1 4.44Å; P274-L482 HydrophobicContact CB-CD2 3.98Å; P274-L482 HydrophobicContact CG-CD2 3.79Å; P274-A485 HydrophobicContact CG-CB 4.44Å
275W92.1Very high94.4Very high98 Ų9822.5 Ų22.537%0.37112%0.116SC..Hα-helixtrans-57.5-42.8178.1179.7-87.2000112.1A93 I273 I310 L314A93-W275 HydrophobicContact CB-CH2 3.4Å; A93-W275 VanDerWaalsContact CB-CH2 3.4Å; A93-W275 HydrophobicContact CB-CZ2 3.9Å; A93-W275 HydrophobicContact CB-CZ3 4.47Å; I273-W275 VanDerWaalsContact C-N 3.28Å; I273-W275 PolarHBondContact O-N 2.78Å; W275-I310 HydrophobicContact CE3-CB 4.41Å; W275-I310 HydrophobicContact CE3-CG2 3.52Å; W275-I310 HydrophobicContact CZ3-CB 4.43Å; W275-I310 HydrophobicContact CZ3-CG2 3.69Å; W275-L314 HydrophobicContact CH2-CD2 4Å; W275-L314 HydrophobicContact CZ3-CD2 4.04Å
276T93.3Very high94.2Very high61 Ų6122.5 Ų22.537%0.37412%0.116SC..Hα-helixtrans-84.2-43.3-177.4-610000113V272 I273 P274V272-T276 WeakPolarHBondContact O-CB 3.31Å; V272-T276 PolarHBondContact O-N 3.31Å; V272-T276 PolarHBondContact O-OG1 2.98Å; I273-T276 PolarHBondContact O-N 3.3Å; P274-T276 VanDerWaalsContact C-N 3.28Å; P274-T276 PolarHBondContact O-N 3.43Å
277F95.1Very high93.8Very high19 Ų1926.6 Ų26.68%0.08313%0.131CC..Hα-helixtrans-109.90.4-163.8-59.3-65.6000115.1I273 Y279 D280 H281 T465 Y478I273-F277 HydrophobicContact CG2-CD2 4.07Å; I273-F277 WeakPolarHBondContact O-CD2 3.45Å; I273-F277 PolarHBondContact O-N 2.95Å; F277-Y279 VanDerWaalsContact C-N 3.31Å; F277-Y279 PolarHBondContact O-N 3.37Å; F277-D280 PolarHBondContact O-N 3.34Å; F277-H281 VanDerWaalsContact O-CB 3.25Å; F277-H281 WeakPolarHBondContact O-CB 3.08Å; F277-H281 PolarHBondContact O-N 3.48Å; F277-T465 WeakPolarHBondContact CZ-O 3.34Å; F277-Y478 HydrophobicContact CB-CD1 3.78Å; F277-Y478 HydrophobicContact CB-CE1 3.99Å; F277-Y478 HydrophobicContact CB-CG 4.21Å; F277-Y478 AromaticContact CD1-CD1 3.98Å; F277-Y478 HydrophobicContact CD1-CD1 3.98Å; F277-Y478 AromaticContact CD1-CE1 3.3Å; F277-Y478 HydrophobicContact CD1-CE1 3.3Å; F277-Y478 AromaticContact CD1-CZ 3.74Å; F277-Y478 HydrophobicContact CD2-CD1 4.41Å; F277-Y478 HydrophobicContact CD2-CE1 4.35Å; F277-Y478 AromaticContact CE1-CE1 3.77Å; F277-Y478 HydrophobicContact CE1-CE1 3.77Å; F277-Y478 AromaticContact CG-CD1 3.82Å; F277-Y478 HydrophobicContact CG-CD1 3.82Å; F277-Y478 AromaticContact CG-CE1 3.63Å; F277-Y478 HydrophobicContact CG-CE1 3.63Å; F277-Y478 HydrophobicContact CZ-CE1 4.46Å
278V94.9Very high93.5Very high1 Ų133.7 Ų33.71%0.00616%0.159CC..Hα-helixtrans-61-39.7-177.868.50000112.7P274 H281 V282 L306 P307 I310P274-V278 WeakPolarHBondContact O-CB 3.17Å; P274-V278 VanDerWaalsContact O-CG1 3.3Å; P274-V278 WeakPolarHBondContact O-CG1 3.46Å; P274-V278 PolarHBondContact O-N 3.29Å; P274-V278 VanDerWaalsContact O-N 3.14Å; V278-H281 PolarHBondContact O-N 3.05Å; V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 3.1Å; V278-L306 HydrophobicContact CG1-CB 4.44Å; V278-P307 HydrophobicContact CG1-CG 4.02Å; V278-I310 HydrophobicContact CG1-CD1 3.82Å
279Y92.1Very high93.1Very high62 Ų6233.8 Ų33.824%0.24316%0.157CC..Hα-helixtrans-61.9-51.9177.6174.9-92.2000110.4F277 H281 V282 L283 I303F277-Y279 VanDerWaalsContact C-N 3.31Å; F277-Y279 PolarHBondContact O-N 3.37Å; Y279-H281 VanDerWaalsContact C-N 3.34Å; Y279-H281 PolarHBondContact O-N 3.04Å; Y279-V282 PolarHBondContact O-N 3.44Å; Y279-L283 HydrophobicContact CD1-CD2 4.5Å; Y279-L283 HydrophobicContact CE1-CD2 3.68Å; Y279-L283 VanDerWaalsContact O-CB 3.29Å; Y279-L283 WeakPolarHBondContact O-CB 3.36Å; Y279-L283 PolarHBondContact O-N 3.09Å; Y279-I303 HydrophobicContact CD2-CB 4.1Å; Y279-I303 HydrophobicContact CD2-CG2 3.58Å; Y279-I303 HydrophobicContact CE2-CB 3.9Å; Y279-I303 HydrophobicContact CE2-CG2 3.82Å; Y279-I303 HydrophobicContact CG-CG2 4.3Å
280D92.5Very high92.7Very high58 Ų5835.4 Ų35.431%0.3117%0.165SC..Hα-helixtrans-65.5-37.1-179.9-64.4-33.9000112.1F277 V282 L283 T284 Y478F277-D280 PolarHBondContact O-N 3.34Å; D280-V282 PolarHBondContact O-N 2.8Å; D280-L283 PolarHBondContact O-N 3.07Å; D280-T284 WeakPolarHBondContact O-CB 3.02Å; D280-T284 PolarHBondContact O-N 3.14Å; D280-T284 PolarHBondContact O-OG1 3.03Å; D280-Y478 HydrophobicContact CB-CD2 4.18Å; D280-Y478 HydrophobicContact CB-CE2 3.6Å
281H94.1Very high92.2Very high9 Ų942.1 Ų42.14%0.04220%0.201CC..Hα-helixtrans-56.9-49.2176.1174.846.6000111.9F277 V278 Y279 T285 Y478 L482F277-H281 VanDerWaalsContact O-CB 3.25Å; F277-H281 WeakPolarHBondContact O-CB 3.08Å; F277-H281 PolarHBondContact O-N 3.48Å; V278-H281 PolarHBondContact O-N 3.05Å; Y279-H281 VanDerWaalsContact C-N 3.34Å; Y279-H281 PolarHBondContact O-N 3.04Å; H281-T285 WeakPolarHBondContact O-CB 3.3Å; H281-T285 PolarHBondContact O-N 2.87Å; H281-T285 PolarHBondContact O-OG1 3.47Å; H281-Y478 HydrophobicContact CB-CD2 4.38Å; H281-Y478 HydrophobicContact CB-CG 4.41Å; H281-L482 HydrophobicContact CB-CD1 4.25Å; H281-L482 WeakPolarHBondContact CD2-CD1 3.24Å
282V94Very high91.8Very high0 Ų046 Ų460%022%0.218CC..Hα-helixtrans-68.3-46178.5177.50000110V278 Y279 D280 T285 L286 I303 L306 L394 L406 L415V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 3.1Å; Y279-V282 PolarHBondContact O-N 3.44Å; D280-V282 PolarHBondContact O-N 2.8Å; V282-T285 PolarHBondContact O-N 3.47Å; V282-L286 HydrophobicContact CG1-CD1 3.81Å; V282-L286 HydrophobicContact CG1-CG 4.18Å; V282-L286 WeakPolarHBondContact O-CG 3.45Å; V282-L286 PolarHBondContact O-N 2.88Å; V282-I303 HydrophobicContact CB-CG2 4.02Å; V282-I303 HydrophobicContact CG1-CD1 4.44Å; V282-I303 HydrophobicContact CG1-CG1 4.39Å; V282-I303 HydrophobicContact CG1-CG2 4.01Å; V282-L306 HydrophobicContact CB-CD1 4.14Å; V282-L306 HydrophobicContact CG1-CD1 4.32Å; V282-L306 HydrophobicContact CG2-CD1 3.57Å; V282-L394 HydrophobicContact CB-CD1 4.42Å; V282-L394 HydrophobicContact CG1-CD1 4.41Å; V282-L394 HydrophobicContact CG2-CD1 4Å; V282-L406 HydrophobicContact CG1-CD1 4.41Å; V282-L406 HydrophobicContact CG1-CD2 4.06Å; V282-L415 HydrophobicContact CG2-CD1 4.03Å
283L91.5Very high91.1Very high23 Ų2352 Ų5212%0.1225%0.249CC..Hα-helixtrans-60.8-50-177.2-170.866.2000112.5Y279 D280 T285 L286 Y287 I298 I303Y279-L283 HydrophobicContact CD1-CD2 4.5Å; Y279-L283 HydrophobicContact CE1-CD2 3.68Å; Y279-L283 VanDerWaalsContact O-CB 3.29Å; Y279-L283 WeakPolarHBondContact O-CB 3.36Å; Y279-L283 PolarHBondContact O-N 3.09Å; D280-L283 PolarHBondContact O-N 3.07Å; L283-T285 VanDerWaalsContact C-N 3.31Å; L283-T285 PolarHBondContact O-N 2.91Å; L283-L286 PolarHBondContact O-N 3.07Å; L283-Y287 HydrophobicContact CD1-CD2 3.85Å; L283-Y287 HydrophobicContact CD1-CE2 3.41Å; L283-Y287 VanDerWaalsContact CD1-CE2 3.41Å; L283-Y287 HydrophobicContact CD2-CE2 4.07Å; L283-Y287 HydrophobicContact CG-CD2 3.71Å; L283-Y287 HydrophobicContact CG-CE2 3.55Å; L283-Y287 VanDerWaalsContact O-CD2 3.28Å; L283-Y287 WeakPolarHBondContact O-CD2 3.45Å; L283-Y287 PolarHBondContact O-N 3.01Å; L283-I298 HydrophobicContact CD1-CG2 4.41Å; L283-I303 HydrophobicContact CD1-CD1 3.66Å
284T91.5Very high90.2Very high37 Ų3753.8 Ų53.823%0.22726%0.262CS..Hα-helixtrans-60.2-41.9177.2-56.70000111.3D280 Y287 Y288 Y472D280-T284 WeakPolarHBondContact O-CB 3.02Å; D280-T284 PolarHBondContact O-N 3.14Å; D280-T284 PolarHBondContact O-OG1 3.03Å; T284-Y287 PolarHBondContact O-N 3.37Å; T284-Y288 PolarHBondContact O-N 3.36Å; T284-Y288 VanDerWaalsContact O-N 3.09Å; T284-Y472 HydrophobicContact CG2-CE2 3.88Å
285T91.5Very high89.7Confident27 Ų2754.1 Ų54.117%0.16626%0.264CS..Hα-helixtrans-66.2-42.3-179-53.10000111.3H281 V282 L283 Y288 L289 L394H281-T285 WeakPolarHBondContact O-CB 3.3Å; H281-T285 PolarHBondContact O-N 2.87Å; H281-T285 PolarHBondContact O-OG1 3.47Å; V282-T285 PolarHBondContact O-N 3.47Å; L283-T285 VanDerWaalsContact C-N 3.31Å; L283-T285 PolarHBondContact O-N 2.91Å; T285-Y288 PolarHBondContact O-N 3.24Å; T285-L289 WeakPolarHBondContact O-CG 3.18Å; T285-L289 PolarHBondContact O-N 2.94Å; T285-L394 HydrophobicContact CG2-CB 3.73Å; T285-L394 HydrophobicContact CG2-CD1 4.39Å
286L91.3Very high89.3Confident0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-69.1-40.9177.1-65.6179.8000112.1V282 L283 Y288 L289 N290 I295 I298 I303 F404 L406V282-L286 HydrophobicContact CG1-CD1 3.81Å; V282-L286 HydrophobicContact CG1-CG 4.18Å; V282-L286 WeakPolarHBondContact O-CG 3.45Å; V282-L286 PolarHBondContact O-N 2.88Å; L283-L286 PolarHBondContact O-N 3.07Å; L286-Y288 VanDerWaalsContact C-N 3.25Å; L286-Y288 PolarHBondContact O-N 3.31Å; L286-L289 HydrophobicContact CD2-CD1 4.41Å; L286-L289 PolarHBondContact O-N 3.05Å; L286-N290 PolarHBondContact O-N 2.89Å; L286-I295 HydrophobicContact CB-CD1 3.94Å; L286-I295 HydrophobicContact CD2-CD1 4.07Å; L286-I295 WeakPolarHBondContact O-CD1 3.42Å; L286-I298 HydrophobicContact CB-CD1 3.68Å; L286-I298 HydrophobicContact CB-CG1 4.3Å; L286-I298 HydrophobicContact CD1-CG2 4.32Å; L286-I303 HydrophobicContact CD1-CD1 3.89Å; L286-I303 HydrophobicContact CD1-CG1 4.5Å; L286-F404 HydrophobicContact CD1-CD1 4.14Å; L286-F404 HydrophobicContact CD1-CE1 3.66Å; L286-F404 HydrophobicContact CD2-CE1 3.97Å; L286-F404 HydrophobicContact CD2-CZ 4.16Å; L286-F404 HydrophobicContact CG-CE1 4.47Å; L286-L406 HydrophobicContact CD1-CD1 4.46Å
287Y90.3Very high88.8Confident110 Ų11051.5 Ų51.543%0.43126%0.259SS..Hα-helixtrans-59.9-37.6175.5-88.7-61.9000112.4L283 T284 L289 N290 D291 I298L283-Y287 HydrophobicContact CD1-CD2 3.85Å; L283-Y287 HydrophobicContact CD1-CE2 3.41Å; L283-Y287 VanDerWaalsContact CD1-CE2 3.41Å; L283-Y287 HydrophobicContact CD2-CE2 4.07Å; L283-Y287 HydrophobicContact CG-CD2 3.71Å; L283-Y287 HydrophobicContact CG-CE2 3.55Å; L283-Y287 VanDerWaalsContact O-CD2 3.28Å; L283-Y287 WeakPolarHBondContact O-CD2 3.45Å; L283-Y287 PolarHBondContact O-N 3.01Å; T284-Y287 PolarHBondContact O-N 3.37Å; Y287-L289 VanDerWaalsContact C-N 3.33Å; Y287-L289 PolarHBondContact O-N 3.19Å; Y287-N290 PolarHBondContact O-N 2.99Å; Y287-D291 PolarHBondContact O-N 3.38Å; Y287-I298 HydrophobicContact CD1-CD1 3.87Å; Y287-I298 HydrophobicContact CD2-CD1 4.46Å; Y287-I298 HydrophobicContact CE1-CD1 4.12Å; Y287-I298 HydrophobicContact CG-CD1 4.03Å
288Y88.8Confident88.3Confident149 Ų14951.8 Ų51.858%0.58426%0.261SS*.Hα-helixtrans-61.5-39.5173.6179-98.1000112.4T284 T285 L286 Q292T284-Y288 PolarHBondContact O-N 3.36Å; T284-Y288 VanDerWaalsContact O-N 3.09Å; T285-Y288 PolarHBondContact O-N 3.24Å; L286-Y288 VanDerWaalsContact C-N 3.25Å; L286-Y288 PolarHBondContact O-N 3.31Å; Y288-Q292 VanDerWaalsContact CE1-NE2 3.34Å; Y288-Q292 WeakPolarHBondContact O-CG 3.4Å; Y288-Q292 PolarHBondContact O-N 3.23Å; Y288-Q292 PolarHBondContact OH-NE2 2.8Å
289L88.2Confident87.6Confident9 Ų954.8 Ų54.85%0.04728%0.277CS..Hα-helixtrans-72.9-34.6176-63.8173.4000113T285 L286 Y287 Q292 N293 S294 I295 L394T285-L289 WeakPolarHBondContact O-CG 3.18Å; T285-L289 PolarHBondContact O-N 2.94Å; L286-L289 HydrophobicContact CD2-CD1 4.41Å; L286-L289 PolarHBondContact O-N 3.05Å; Y287-L289 VanDerWaalsContact C-N 3.33Å; Y287-L289 PolarHBondContact O-N 3.19Å; L289-Q292 CarbonylContact O-C 3.6Å; L289-Q292 PolarHBondContact O-N 2.88Å; L289-N293 PolarHBondContact O-N 2.73Å; L289-S294 WeakPolarHBondContact O-CB 3.32Å; L289-S294 PolarHBondContact O-N 2.83Å; L289-I295 HydrophobicContact CB-CD1 4.15Å; L289-I295 HydrophobicContact CB-CG1 4.2Å; L289-L394 VanDerWaalsContact CD1-O 3.31Å; L289-L394 WeakPolarHBondContact CD1-O 3.2Å
290N87.4Confident87.1Confident41 Ų4154.9 Ų54.922%0.21928%0.282CS..Hα-helixtrans-64.8-41.8175.6-171.514.9000111L286 Y287 Q292 N293 I295 I298L286-N290 PolarHBondContact O-N 2.89Å; Y287-N290 PolarHBondContact O-N 2.99Å; N290-Q292 PolarHBondContact O-N 2.65Å; N290-N293 WeakPolarHBondContact O-CA 3.44Å; N290-N293 PolarHBondContact O-N 2.83Å; N290-I295 HydrophobicContact CB-CD1 4.21Å; N290-I295 HydrophobicContact CB-CG1 3.83Å; N290-I295 PolarHBondContact OD1-O 2.99Å; N290-I298 HydrophobicContact CB-CD1 4.17Å
291D86.3Confident86.5Confident140 Ų14057.1 Ų57.175%0.74929%0.29SS*.Hα-helixtrans-62-27.7174-165.651.1000112.4Y287 N293Y287-D291 PolarHBondContact O-N 3.38Å; D291-N293 PolarHBondContact O-N 2.83Å
292Q85.4Confident86Confident97 Ų9758.3 Ų58.345%0.45330%0.297SS..THydrogen-bonded Turntrans-82.19.1170.7-65.2-171-3.500113.9Y288 L289 N290 S294Y288-Q292 VanDerWaalsContact CE1-NE2 3.34Å; Y288-Q292 WeakPolarHBondContact O-CG 3.4Å; Y288-Q292 PolarHBondContact O-N 3.23Å; Y288-Q292 PolarHBondContact OH-NE2 2.8Å; L289-Q292 CarbonylContact O-C 3.6Å; L289-Q292 PolarHBondContact O-N 2.88Å; N290-Q292 PolarHBondContact O-N 2.65Å; Q292-S294 PolarHBondContact O-N 3.49Å; Q292-S294 VanDerWaalsContact O-N 3.13Å
293N80.7Confident85.7Confident149 Ų14958.3 Ų58.380%0.79730%0.297SS*.THydrogen-bonded Turntrans52.227.9-174.1-60.6-60.4000113.8L289 N290 D291L289-N293 PolarHBondContact O-N 2.73Å; N290-N293 WeakPolarHBondContact O-CA 3.44Å; N290-N293 PolarHBondContact O-N 2.83Å; D291-N293 PolarHBondContact O-N 2.83Å
294S78.8Confident85.4Confident39 Ų3958.6 Ų58.627%0.27330%0.3SS..SBendtrans-86.9-18.9-178.2-620000113.3L289 Q292 S399L289-S294 WeakPolarHBondContact O-CB 3.32Å; L289-S294 PolarHBondContact O-N 2.83Å; Q292-S294 PolarHBondContact O-N 3.49Å; Q292-S294 VanDerWaalsContact O-N 3.13Å; S294-S399 PolarHBondContact O-N 2.6Å
295I84.6Confident85.3Confident8 Ų861.6 Ų61.64%0.04131%0.308CS..SBendtrans-140.3158.4179.461172.3000110.2L286 L289 N290 I298 V397 F404L286-I295 HydrophobicContact CB-CD1 3.94Å; L286-I295 HydrophobicContact CD2-CD1 4.07Å; L286-I295 WeakPolarHBondContact O-CD1 3.42Å; L289-I295 HydrophobicContact CB-CD1 4.15Å; L289-I295 HydrophobicContact CB-CG1 4.2Å; N290-I295 HydrophobicContact CB-CD1 4.21Å; N290-I295 HydrophobicContact CB-CG1 3.83Å; N290-I295 PolarHBondContact OD1-O 2.99Å; I295-I298 HydrophobicContact CD1-CD1 4.23Å; I295-I298 HydrophobicContact CD1-CG1 4.04Å; I295-V397 HydrophobicContact CG2-CG1 4.39Å; I295-F404 HydrophobicContact CB-CD2 4.13Å; I295-F404 HydrophobicContact CB-CG 4.47Å; I295-F404 HydrophobicContact CD1-CG 4.45Å; I295-F404 HydrophobicContact CG2-CD2 4.05Å; I295-F404 HydrophobicContact CG2-CE2 4.24Å
296G82.1Confident85.3Confident17 Ų1760.3 Ų60.318%0.17530%0.3CS..  trans-80.4-165.4174.200000114.5I298 K402G296-I298 PolarHBondContact O-N 2.77Å; G296-K402 CarbonylContact C-O 3.52Å
297D83.8Confident85.3Confident87 Ų8761.4 Ų61.447%0.46531%0.307SS..EExtended strand (participates in β ladder)trans-57.2125.3-179.8-71.6-33.8000111.1K402 F404D297-K402 PolarHBondContact N-O 2.63Å; D297-F404 PolarHBondContact O-N 2.9Å
298I83.8Confident85.4Confident25 Ų2556.4 Ų56.413%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-80.7126.3-176.1-59.5164.6000110.1L283 L286 Y287 N290 I295 G296 N300 I303L283-I298 HydrophobicContact CD1-CG2 4.41Å; L286-I298 HydrophobicContact CB-CD1 3.68Å; L286-I298 HydrophobicContact CB-CG1 4.3Å; L286-I298 HydrophobicContact CD1-CG2 4.32Å; Y287-I298 HydrophobicContact CD1-CD1 3.87Å; Y287-I298 HydrophobicContact CD2-CD1 4.46Å; Y287-I298 HydrophobicContact CE1-CD1 4.12Å; Y287-I298 HydrophobicContact CG-CD1 4.03Å; N290-I298 HydrophobicContact CB-CD1 4.17Å; I295-I298 HydrophobicContact CD1-CD1 4.23Å; I295-I298 HydrophobicContact CD1-CG1 4.04Å; G296-I298 PolarHBondContact O-N 2.77Å; I298-N300 PolarHBondContact O-N 3.03Å; I298-I303 HydrophobicContact CG2-CD1 3.6Å
299N81.8Confident85.7Confident63 Ų6351.1 Ų51.134%0.33727%0.27SS..  trans-83.5101.7170.5-175.35.3000111.5Q301 D302N299-Q301 PolarHBondContact O-N 2.84Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.46Å; N299-Q301 PolarHBondContact OD1-N 3.03Å; N299-Q301 VanDerWaalsContact OD1-N 3.09Å; N299-D302 HydrophobicContact CB-CB 4.37Å; N299-D302 WeakPolarHBondContact CB-OD2 3.39Å; N299-D302 PolarHBondContact ND2-OD1 2.92Å; N299-D302 PolarHBondContact ND2-OD2 3.02Å; N299-D302 PolarHBondContact O-N 2.96Å
300N81.2Confident86Confident65 Ų6550.7 Ų50.735%0.34827%0.267SS..Hα-helixtrans-60.1-28.8178.5-67.6-8.6000113.3I298 D302 I303 S304I298-N300 PolarHBondContact O-N 3.03Å; N300-D302 VanDerWaalsContact C-N 3.34Å; N300-I303 PolarHBondContact O-N 2.95Å; N300-S304 PolarHBondContact O-N 2.95Å
301Q79.2Confident86.4Confident104 Ų10448.7 Ų48.749%0.48626%0.257SS..Hα-helixtrans-67-36.2179.1-169.1172.40.400111.7N299 I303 S304N299-Q301 PolarHBondContact O-N 2.84Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.46Å; N299-Q301 PolarHBondContact OD1-N 3.03Å; N299-Q301 VanDerWaalsContact OD1-N 3.09Å; Q301-I303 VanDerWaalsContact C-N 3.32Å; Q301-I303 PolarHBondContact O-N 3.38Å; Q301-S304 PolarHBondContact O-N 3.49Å; Q301-S304 PolarHBondContact O-OG 3.04Å
302D84Confident86.8Confident34 Ų3446.2 Ų46.218%0.18224%0.239CC..Hα-helixtrans-64.6-38.8176.9-67-18.9000111.5N299 N300 S304 W305 F407N299-D302 HydrophobicContact CB-CB 4.37Å; N299-D302 WeakPolarHBondContact CB-OD2 3.39Å; N299-D302 PolarHBondContact ND2-OD1 2.92Å; N299-D302 PolarHBondContact ND2-OD2 3.02Å; N299-D302 PolarHBondContact O-N 2.96Å; N300-D302 VanDerWaalsContact C-N 3.34Å; D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 3.06Å; D302-W305 WeakPolarHBondContact O-CB 3.1Å; D302-W305 PolarHBondContact O-N 3.41Å; D302-F407 HydrophobicContact CB-CE2 4.4Å; D302-F407 WeakPolarHBondContact O-CE2 3.09Å; D302-F407 WeakPolarHBondContact O-CZ 3.39Å
303I87Confident87.3Confident1 Ų141.6 Ų41.61%0.00522%0.218CC..Hα-helixtrans-70.3-32.5-179.9-53.9171000111Y279 V282 L283 L286 I298 N300 Q301 W305 L306 L406Y279-I303 HydrophobicContact CD2-CB 4.1Å; Y279-I303 HydrophobicContact CD2-CG2 3.58Å; Y279-I303 HydrophobicContact CE2-CB 3.9Å; Y279-I303 HydrophobicContact CE2-CG2 3.82Å; Y279-I303 HydrophobicContact CG-CG2 4.3Å; V282-I303 HydrophobicContact CB-CG2 4.02Å; V282-I303 HydrophobicContact CG1-CD1 4.44Å; V282-I303 HydrophobicContact CG1-CG1 4.39Å; V282-I303 HydrophobicContact CG1-CG2 4.01Å; L283-I303 HydrophobicContact CD1-CD1 3.66Å; L286-I303 HydrophobicContact CD1-CD1 3.89Å; L286-I303 HydrophobicContact CD1-CG1 4.5Å; I298-I303 HydrophobicContact CG2-CD1 3.6Å; N300-I303 PolarHBondContact O-N 2.95Å; Q301-I303 VanDerWaalsContact C-N 3.32Å; Q301-I303 PolarHBondContact O-N 3.38Å; I303-W305 PolarHBondContact O-N 3.16Å; I303-W305 VanDerWaalsContact O-N 3.14Å; I303-L306 HydrophobicContact CG2-CD1 4.13Å; I303-L306 WeakPolarHBondContact O-CB 3.32Å; I303-L306 WeakPolarHBondContact O-CG 3.47Å; I303-L306 PolarHBondContact O-N 3.13Å; I303-L406 HydrophobicContact CG1-CD2 4.31Å
304S85.5Confident88.1Confident28 Ų2834.7 Ų34.720%0.19618%0.181CC..Hα-helixtrans-63-18.1177.9780000114.1N300 Q301 D302 L306 P307 S308N300-S304 PolarHBondContact O-N 2.95Å; Q301-S304 PolarHBondContact O-N 3.49Å; Q301-S304 PolarHBondContact O-OG 3.04Å; D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 3.06Å; S304-L306 PolarHBondContact O-N 2.97Å; S304-P307 WeakPolarHBondContact O-CD 3.11Å; S304-S308 PolarHBondContact O-OG 3.05Å; S304-S308 VanDerWaalsContact O-OG 3.05Å
305W89Confident89Confident100 Ų10034.5 Ų34.538%0.37918%0.177SC..Hα-helixtrans-67.1-23171.4-78.999.4000112.6F94 D302 I303 S308 L309 F407F94-W305 AromaticContact CE2-CZ3 3.96Å; F94-W305 HydrophobicContact CE2-CZ3 3.96Å; F94-W305 HydrophobicContact CZ-CZ3 4.35Å; D302-W305 WeakPolarHBondContact O-CB 3.1Å; D302-W305 PolarHBondContact O-N 3.41Å; I303-W305 PolarHBondContact O-N 3.16Å; I303-W305 VanDerWaalsContact O-N 3.14Å; W305-S308 CarbonylContact O-C 3.59Å; W305-S308 WeakPolarHBondContact O-CB 3.44Å; W305-S308 PolarHBondContact O-N 2.83Å; W305-L309 WeakPolarHBondContact O-CB 3.21Å; W305-L309 VanDerWaalsContact O-CG 3.3Å; W305-L309 WeakPolarHBondContact O-CG 3.22Å; W305-L309 PolarHBondContact O-N 3.32Å; W305-F407 HydrophobicContact CB-CE2 3.88Å; W305-F407 HydrophobicContact CB-CZ 3.83Å; W305-F407 HydrophobicContact CG-CE2 4.32Å
306L92.3Very high89.6Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-64.2-54.1-177-65.7174.1000112.8V278 V282 I303 S304 S308 L309 I310 L406 F407 L415V278-L306 HydrophobicContact CG1-CB 4.44Å; V282-L306 HydrophobicContact CB-CD1 4.14Å; V282-L306 HydrophobicContact CG1-CD1 4.32Å; V282-L306 HydrophobicContact CG2-CD1 3.57Å; I303-L306 HydrophobicContact CG2-CD1 4.13Å; I303-L306 WeakPolarHBondContact O-CB 3.32Å; I303-L306 WeakPolarHBondContact O-CG 3.47Å; I303-L306 PolarHBondContact O-N 3.13Å; S304-L306 PolarHBondContact O-N 2.97Å; L306-S308 PolarHBondContact O-N 3.4Å; L306-L309 WeakPolarHBondContact O-CB 3.48Å; L306-L309 PolarHBondContact O-N 3.42Å; L306-I310 PolarHBondContact O-N 2.84Å; L306-I310 VanDerWaalsContact O-N 3.15Å; L306-L406 HydrophobicContact CD1-CD2 4.07Å; L306-F407 HydrophobicContact CD2-CE1 4.03Å; L306-F407 HydrophobicContact CD2-CZ 4.27Å; L306-L415 HydrophobicContact CD2-CB 4.1Å
307P91.7Very high90.3Very high23 Ų2338.2 Ų38.215%0.14919%0.188CC..Hα-helixtrans-58.1-36.6170.7-2432.5000113.1V278 S304 L309 I310 G311V278-P307 HydrophobicContact CG1-CG 4.02Å; S304-P307 WeakPolarHBondContact O-CD 3.11Å; P307-L309 VanDerWaalsContact C-N 3.32Å; P307-L309 PolarHBondContact O-N 3.18Å; P307-I310 WeakPolarHBondContact O-CB 3.18Å; P307-I310 PolarHBondContact O-N 2.61Å; P307-I310 VanDerWaalsContact O-N 3.15Å; P307-G311 PolarHBondContact O-N 3.25Å
308S92Very high91Very high5 Ų534 Ų344%0.03517%0.166CC..Hα-helixtrans-64-37178.3-53.60000111.7F94 S304 W305 L306 G311 F312F94-S308 WeakPolarHBondContact CD2-O 3.41Å; S304-S308 PolarHBondContact O-OG 3.05Å; S304-S308 VanDerWaalsContact O-OG 3.05Å; W305-S308 CarbonylContact O-C 3.59Å; W305-S308 WeakPolarHBondContact O-CB 3.44Å; W305-S308 PolarHBondContact O-N 2.83Å; L306-S308 PolarHBondContact O-N 3.4Å; S308-G311 CarbonylContact O-C 3.54Å; S308-G311 WeakPolarHBondContact O-CA 3.18Å; S308-G311 PolarHBondContact O-N 3.19Å; S308-F312 PolarHBondContact O-N 2.87Å
309L94Very high91.6Very high38 Ų3835.7 Ų35.720%0.19918%0.175CC..Hα-helixtrans-67.2-35.6172.8-75.1168.7000112.3W305 L306 P307 G311 F312 G313 A416 C419W305-L309 WeakPolarHBondContact O-CB 3.21Å; W305-L309 VanDerWaalsContact O-CG 3.3Å; W305-L309 WeakPolarHBondContact O-CG 3.22Å; W305-L309 PolarHBondContact O-N 3.32Å; L306-L309 WeakPolarHBondContact O-CB 3.48Å; L306-L309 PolarHBondContact O-N 3.42Å; P307-L309 VanDerWaalsContact C-N 3.32Å; P307-L309 PolarHBondContact O-N 3.18Å; L309-G311 VanDerWaalsContact C-N 3.32Å; L309-F312 PolarHBondContact O-N 3.46Å; L309-G313 PolarHBondContact O-N 2.9Å; L309-A416 HydrophobicContact CD1-CB 3.61Å; L309-C419 HydrophobicContact CB-CB 4.09Å
310I95.3Very high92.4Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-62.1-43.4169.7-57177.3000109.6W275 V278 L306 P307 G313 L314 C419 V422 G423W275-I310 HydrophobicContact CE3-CB 4.41Å; W275-I310 HydrophobicContact CE3-CG2 3.52Å; W275-I310 HydrophobicContact CZ3-CB 4.43Å; W275-I310 HydrophobicContact CZ3-CG2 3.69Å; V278-I310 HydrophobicContact CG1-CD1 3.82Å; L306-I310 PolarHBondContact O-N 2.84Å; L306-I310 VanDerWaalsContact O-N 3.15Å; P307-I310 WeakPolarHBondContact O-CB 3.18Å; P307-I310 PolarHBondContact O-N 2.61Å; P307-I310 VanDerWaalsContact O-N 3.15Å; I310-G313 PolarHBondContact O-N 3.36Å; I310-L314 VanDerWaalsContact O-CB 3.3Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 PolarHBondContact O-N 3.43Å; I310-C419 WeakPolarHBondContact CA-O 3.25Å; I310-C419 HydrophobicContact CD1-CB 4.5Å; I310-C419 HydrophobicContact CG1-CB 3.7Å; I310-C419 WeakPolarHBondContact CG1-O 3.42Å; I310-V422 HydrophobicContact CG2-CG1 4.35Å; I310-G423 VanDerWaalsContact O-CA 3.22Å; I310-G423 WeakPolarHBondContact O-CA 3.43Å
311G95.1Very high93.1Very high0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-61.3-41.8174.600000113.5G90 P307 S308 L309 L314 L315G90-G311 WeakPolarHBondContact CA-O 3.28Å; P307-G311 PolarHBondContact O-N 3.25Å; S308-G311 CarbonylContact O-C 3.54Å; S308-G311 WeakPolarHBondContact O-CA 3.18Å; S308-G311 PolarHBondContact O-N 3.19Å; L309-G311 VanDerWaalsContact C-N 3.32Å; G311-L314 WeakPolarHBondContact O-CB 3.4Å; G311-L314 PolarHBondContact O-N 3.46Å; G311-L315 PolarHBondContact O-N 3.04Å
312F95.2Very high93.9Very high87 Ų8729.6 Ų29.638%0.38214%0.14SC..Hα-helixtrans-67.3-41.8176.3-173.9-116.8000112.1F94 S308 L309 L314 L315 F316 F420F94-F312 HydrophobicContact CD2-CB 3.92Å; F94-F312 HydrophobicContact CE2-CB 4.38Å; F94-F312 HydrophobicContact CG-CB 4.47Å; S308-F312 PolarHBondContact O-N 2.87Å; L309-F312 PolarHBondContact O-N 3.46Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 3.41Å; F312-L315 WeakPolarHBondContact O-CB 3.42Å; F312-L315 PolarHBondContact O-N 3.24Å; F312-F316 PolarHBondContact O-N 3.48Å; F312-F316 VanDerWaalsContact O-N 3.09Å; F312-F420 AromaticContact CD1-CD2 3.8Å; F312-F420 HydrophobicContact CD1-CD2 3.8Å; F312-F420 AromaticContact CD1-CE2 3.48Å; F312-F420 HydrophobicContact CD1-CE2 3.48Å; F312-F420 VanDerWaalsContact CD1-CE2 3.48Å; F312-F420 HydrophobicContact CE1-CD2 4.45Å; F312-F420 AromaticContact CE1-CE2 3.78Å; F312-F420 HydrophobicContact CE1-CE2 3.78Å; F312-F420 HydrophobicContact CG-CE2 4.43Å
313G97.3Very high94.5Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-61.8-39.6171.700000112.3L309 I310 L315 F316 G317 F420 G423 I424L309-G313 PolarHBondContact O-N 2.9Å; I310-G313 PolarHBondContact O-N 3.36Å; G313-L315 PolarHBondContact O-N 3.08Å; G313-F316 PolarHBondContact O-N 2.91Å; G313-G317 PolarHBondContact O-N 3.31Å; G313-F420 WeakPolarHBondContact CA-O 3.1Å; G313-G423 CarbonylContact O-C 3.2Å; G313-I424 VanDerWaalsContact C-N 3.34Å; G313-I424 VanDerWaalsContact O-CA 3.27Å; G313-I424 WeakPolarHBondContact O-CA 3Å; G313-I424 WeakPolarHBondContact O-CG1 3.06Å; G313-I424 PolarHBondContact O-N 3.17Å
314L97.2Very high94.8Very high5 Ų533.5 Ų33.53%0.02616%0.16CC..Hα-helixtrans-58.2-46.9176.3-17971000111.2W275 I310 G311 F312 G317 Q318 G423 N426 Y430W275-L314 HydrophobicContact CH2-CD2 4Å; W275-L314 HydrophobicContact CZ3-CD2 4.04Å; I310-L314 VanDerWaalsContact O-CB 3.3Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 PolarHBondContact O-N 3.43Å; G311-L314 WeakPolarHBondContact O-CB 3.4Å; G311-L314 PolarHBondContact O-N 3.46Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 3.41Å; L314-G317 PolarHBondContact O-N 3.13Å; L314-Q318 WeakPolarHBondContact O-CB 3.49Å; L314-Q318 WeakPolarHBondContact O-CG 3.47Å; L314-Q318 PolarHBondContact O-N 3.45Å; L314-G423 VanDerWaalsContact CA-O 3.25Å; L314-G423 WeakPolarHBondContact CA-O 3.24Å; L314-G423 VanDerWaalsContact N-C 3.31Å; L314-G423 PolarHBondContact N-O 3.37Å; L314-N426 HydrophobicContact CD1-CB 3.84Å; L314-Y430 HydrophobicContact CD1-CD2 3.78Å; L314-Y430 HydrophobicContact CD1-CE2 4.14Å
315L97Very high95.1Very high34 Ų3432.5 Ų32.518%0.17815%0.153CC..Hα-helixtrans-57.6-52.4174.3174.461.6000111.8C87 V91 G311 F312 G313 G317 Q318 L319C87-L315 HydrophobicContact CB-CD1 3.63Å; V91-L315 HydrophobicContact CG2-CD1 3.88Å; V91-L315 HydrophobicContact CG2-CD2 4.04Å; G311-L315 PolarHBondContact O-N 3.04Å; F312-L315 WeakPolarHBondContact O-CB 3.42Å; F312-L315 PolarHBondContact O-N 3.24Å; G313-L315 PolarHBondContact O-N 3.08Å; L315-G317 VanDerWaalsContact C-N 3.34Å; L315-G317 PolarHBondContact O-N 2.84Å; L315-Q318 PolarHBondContact O-N 3.49Å; L315-L319 PolarHBondContact O-N 3.28Å
316F96.9Very high95.2Very high103 Ų10328.2 Ų28.245%0.45214%0.138SC..Hα-helixtrans-61.4-44-179.4-174-87.7000111.7F312 G313 Q318 L319 F320 F420 I424F312-F316 PolarHBondContact O-N 3.48Å; F312-F316 VanDerWaalsContact O-N 3.09Å; G313-F316 PolarHBondContact O-N 2.91Å; F316-Q318 PolarHBondContact O-N 3.37Å; F316-L319 PolarHBondContact O-N 2.67Å; F316-F320 HydrophobicContact CD1-CB 4.35Å; F316-F320 HydrophobicContact CE1-CB 4.18Å; F316-F320 HydrophobicContact CE1-CG 4.46Å; F316-F320 VanDerWaalsContact O-CB 3.26Å; F316-F320 WeakPolarHBondContact O-CB 3.1Å; F316-F320 PolarHBondContact O-N 3.19Å; F316-F420 HydrophobicContact CB-CE2 4.41Å; F316-F420 HydrophobicContact CB-CZ 4.35Å; F316-F420 HydrophobicContact CG-CZ 4.34Å; F316-I424 HydrophobicContact CB-CG1 4.47Å; F316-I424 HydrophobicContact CD1-CD1 3.75Å; F316-I424 HydrophobicContact CD1-CG1 3.98Å; F316-I424 HydrophobicContact CE1-CD1 4.27Å
317G97.9Very high94.9Very high0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-59.1-45.9176.800000112.2G313 L314 L315 L319 F320 Y321G313-G317 PolarHBondContact O-N 3.31Å; L314-G317 PolarHBondContact O-N 3.13Å; L315-G317 VanDerWaalsContact C-N 3.34Å; L315-G317 PolarHBondContact O-N 2.84Å; G317-L319 VanDerWaalsContact C-N 3.32Å; G317-L319 PolarHBondContact O-N 3.15Å; G317-F320 PolarHBondContact O-N 3.19Å; G317-Y321 WeakPolarHBondContact O-CB 3.35Å; G317-Y321 VanDerWaalsContact O-CD2 3.24Å; G317-Y321 WeakPolarHBondContact O-CD2 3.44Å; G317-Y321 PolarHBondContact O-N 2.92Å
318Q97.7Very high94.2Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-60.7-41.3-179.7-73.2162.7-11.600112.4G83 M86 C87 S89 L314 L315 F316 G322 V431G83-Q318 VanDerWaalsContact CA-O 3.31Å; G83-Q318 WeakPolarHBondContact CA-O 3.48Å; M86-Q318 HydrophobicContact CB-CB 4.42Å; M86-Q318 HydrophobicContact CB-CG 3.92Å; M86-Q318 PolarHBondContact O-NE2 2.83Å; M86-Q318 PolarHBondContact O-OE1 3.29Å; C87-Q318 VanDerWaalsContact N-OE1 3.16Å; S89-Q318 PolarHBondContact OG-NE2 3.47Å; L314-Q318 WeakPolarHBondContact O-CB 3.49Å; L314-Q318 WeakPolarHBondContact O-CG 3.47Å; L314-Q318 PolarHBondContact O-N 3.45Å; L315-Q318 PolarHBondContact O-N 3.49Å; F316-Q318 PolarHBondContact O-N 3.37Å; Q318-G322 PolarHBondContact O-N 3.43Å; Q318-V431 HydrophobicContact CB-CG2 4Å; Q318-V431 HydrophobicContact CG-CG2 3.98Å
319L97.2Very high92.9Very high60 Ų6037.1 Ų37.131%0.31418%0.177SC..Hα-helixtrans-66.8-49173.5-68.9173.9000111.9L84 C87 L315 F316 G317 G322 L323L84-L319 HydrophobicContact CD2-CD2 3.72Å; C87-L319 WeakPolarHBondContact SG-CD2 3.41Å; C87-L319 VanDerWaalsContact SG-CG 3.55Å; L315-L319 PolarHBondContact O-N 3.28Å; F316-L319 PolarHBondContact O-N 2.67Å; G317-L319 VanDerWaalsContact C-N 3.32Å; G317-L319 PolarHBondContact O-N 3.15Å; L319-G322 PolarHBondContact O-N 3.24Å; L319-L323 WeakPolarHBondContact O-CB 3.25Å; L319-L323 VanDerWaalsContact O-CG 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.49Å; L319-L323 PolarHBondContact O-N 3.41Å
320F97.1Very high91.3Very high90 Ų9037.9 Ų37.940%0.39518%0.182SC..Hα-helixtrans-60-52.5-177.2174.9-104.2000112.3F316 G317 G322 L323 I324F316-F320 HydrophobicContact CD1-CB 4.35Å; F316-F320 HydrophobicContact CE1-CB 4.18Å; F316-F320 HydrophobicContact CE1-CG 4.46Å; F316-F320 VanDerWaalsContact O-CB 3.26Å; F316-F320 WeakPolarHBondContact O-CB 3.1Å; F316-F320 PolarHBondContact O-N 3.19Å; G317-F320 PolarHBondContact O-N 3.19Å; F320-G322 VanDerWaalsContact C-N 3.34Å; F320-G322 PolarHBondContact O-N 3.32Å; F320-L323 PolarHBondContact O-N 3.27Å; F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CD2-CD1 4.03Å; F320-I324 HydrophobicContact CE1-CD1 3.43Å; F320-I324 VanDerWaalsContact CE1-CD1 3.43Å; F320-I324 HydrophobicContact CE2-CD1 3.44Å; F320-I324 VanDerWaalsContact CE2-CD1 3.44Å; F320-I324 HydrophobicContact CE2-CG1 4.34Å; F320-I324 HydrophobicContact CG-CD1 4.3Å; F320-I324 HydrophobicContact CZ-CD1 3.12Å; F320-I324 HydrophobicContact CZ-CG1 4.39Å; F320-I324 WeakPolarHBondContact O-CG1 3.28Å; F320-I324 PolarHBondContact O-N 2.97Å
321Y97.1Very high89.2Confident13 Ų1341.3 Ų41.35%0.05120%0.199CC..Hα-helixtrans-67-36.6178.4-78-82.4000111.4G317 I324 T325 I374 T378 I424 G428 M432G317-Y321 WeakPolarHBondContact O-CB 3.35Å; G317-Y321 VanDerWaalsContact O-CD2 3.24Å; G317-Y321 WeakPolarHBondContact O-CD2 3.44Å; G317-Y321 PolarHBondContact O-N 2.92Å; Y321-I324 PolarHBondContact O-N 2.95Å; Y321-T325 WeakPolarHBondContact O-CB 3.38Å; Y321-T325 WeakPolarHBondContact O-CG2 3.39Å; Y321-T325 PolarHBondContact O-N 3.35Å; Y321-T325 PolarHBondContact O-OG1 3.46Å; Y321-T325 VanDerWaalsContact O-OG1 3.06Å; Y321-I374 HydrophobicContact CD1-CG2 3.53Å; Y321-I374 HydrophobicContact CE1-CG2 3.54Å; Y321-T378 WeakPolarHBondContact CE1-OG1 3.35Å; Y321-T378 VanDerWaalsContact CZ-OG1 3.31Å; Y321-T378 PolarHBondContact OH-OG1 2.98Å; Y321-T378 VanDerWaalsContact OH-OG1 3.12Å; Y321-I424 HydrophobicContact CE2-CG2 4.13Å; Y321-I424 WeakPolarHBondContact CE2-O 3.36Å; Y321-G428 VanDerWaalsContact CE2-CA 3.46Å; Y321-M432 HydrophobicContact CD1-CE 4.32Å
322G95.9Very high86.9Confident0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-62.7-42.3175.500000112.8G79 L80 Q318 L319 F320 S326G79-G322 CarbonylContact C-O 3.41Å; G79-G322 WeakPolarHBondContact O-CA 3.39Å; L80-G322 PolarHBondContact N-O 3.29Å; Q318-G322 PolarHBondContact O-N 3.43Å; L319-G322 PolarHBondContact O-N 3.24Å; F320-G322 VanDerWaalsContact C-N 3.34Å; F320-G322 PolarHBondContact O-N 3.32Å; G322-S326 VanDerWaalsContact O-CB 3.26Å; G322-S326 WeakPolarHBondContact O-CB 3.45Å; G322-S326 PolarHBondContact O-N 2.82Å; G322-S326 VanDerWaalsContact O-N 3.09Å
323L95.3Very high84.6Confident74 Ų7439.4 Ų39.439%0.38720%0.2SC..Hα-helixtrans-65.7-49.7175.4-74.3169.2000111.9L80 L319 F320 T325 S326 Q327L80-L323 HydrophobicContact CD1-CD2 3.62Å; L80-L323 HydrophobicContact CD1-CG 3.9Å; L80-L323 HydrophobicContact CD2-CD2 4.14Å; L80-L323 HydrophobicContact CG-CD2 4.44Å; L319-L323 WeakPolarHBondContact O-CB 3.25Å; L319-L323 VanDerWaalsContact O-CG 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.49Å; L319-L323 PolarHBondContact O-N 3.41Å; F320-L323 PolarHBondContact O-N 3.27Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 3.41Å; L323-S326 PolarHBondContact O-N 3.34Å; L323-Q327 WeakPolarHBondContact O-CB 3.48Å; L323-Q327 WeakPolarHBondContact O-CG 2.98Å; L323-Q327 PolarHBondContact O-N 2.91Å
324I94.3Very high81.7Confident44 Ų4443 Ų4323%0.22622%0.224CC..Hα-helixtrans-60.2-45.3-179.2-75.2179.8000110.8F320 Y321 S326 Q327 F328 F370 I374F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CD2-CD1 4.03Å; F320-I324 HydrophobicContact CE1-CD1 3.43Å; F320-I324 VanDerWaalsContact CE1-CD1 3.43Å; F320-I324 HydrophobicContact CE2-CD1 3.44Å; F320-I324 VanDerWaalsContact CE2-CD1 3.44Å; F320-I324 HydrophobicContact CE2-CG1 4.34Å; F320-I324 HydrophobicContact CG-CD1 4.3Å; F320-I324 HydrophobicContact CZ-CD1 3.12Å; F320-I324 HydrophobicContact CZ-CG1 4.39Å; F320-I324 WeakPolarHBondContact O-CG1 3.28Å; F320-I324 PolarHBondContact O-N 2.97Å; Y321-I324 PolarHBondContact O-N 2.95Å; I324-S326 VanDerWaalsContact C-N 3.3Å; I324-S326 PolarHBondContact O-N 3.28Å; I324-Q327 PolarHBondContact O-N 3.49Å; I324-F328 HydrophobicContact CG2-CD2 4.25Å; I324-F328 WeakPolarHBondContact O-CB 3.27Å; I324-F328 WeakPolarHBondContact O-CD2 3.36Å; I324-F328 PolarHBondContact O-N 3.1Å; I324-F370 HydrophobicContact CG2-CZ 4.26Å; I324-I374 HydrophobicContact CG2-CD1 3.78Å
325T92.6Very high78.6Confident6 Ų649.5 Ų49.54%0.03725%0.253CS..Hα-helixtrans-75-22.6-177.467.30000114G79 Y321 L323 G329 F370 I374 M432 Q435G79-T325 WeakPolarHBondContact CA-OG1 3.5Å; Y321-T325 WeakPolarHBondContact O-CB 3.38Å; Y321-T325 WeakPolarHBondContact O-CG2 3.39Å; Y321-T325 PolarHBondContact O-N 3.35Å; Y321-T325 PolarHBondContact O-OG1 3.46Å; Y321-T325 VanDerWaalsContact O-OG1 3.06Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 3.41Å; T325-G329 WeakPolarHBondContact O-CA 3.26Å; T325-G329 PolarHBondContact O-N 2.94Å; T325-F370 HydrophobicContact CG2-CE1 4.48Å; T325-I374 HydrophobicContact CG2-CD1 3.68Å; T325-M432 HydrophobicContact CG2-CE 3.23Å; T325-M432 HydrophobicContact CG2-SD 3.83Å; T325-Q435 PolarHBondContact OG1-NE2 3.17Å; T325-Q435 PolarHBondContact OG1-OE1 2.83Å
326S90.1Very high75.7Confident10 Ų1053.4 Ų53.47%0.0727%0.268CS..Hα-helixtrans-74.5-46.1169.3176.30000112.7S76 Y77 G322 L323 I324S76-S326 WeakPolarHBondContact O-CA 3.35Å; S76-S326 PolarHBondContact O-OG 3.03Å; Y77-S326 WeakPolarHBondContact CA-OG 3.25Å; G322-S326 VanDerWaalsContact O-CB 3.26Å; G322-S326 WeakPolarHBondContact O-CB 3.45Å; G322-S326 PolarHBondContact O-N 2.82Å; G322-S326 VanDerWaalsContact O-N 3.09Å; L323-S326 PolarHBondContact O-N 3.34Å; I324-S326 VanDerWaalsContact C-N 3.3Å; I324-S326 PolarHBondContact O-N 3.28Å
327Q85.5Confident72.9Confident117 Ų11750.9 Ų50.955%0.54726%0.259SS..Hα-helixtrans-74.3-43-174.7-72-177.6-9.200113L323 I324L323-Q327 WeakPolarHBondContact O-CB 3.48Å; L323-Q327 WeakPolarHBondContact O-CG 2.98Å; L323-Q327 PolarHBondContact O-N 2.91Å; I324-Q327 PolarHBondContact O-N 3.49Å
328F78.6Confident69.9Low94 Ų9455.9 Ų55.941%0.41229%0.286SS..Hα-helixtrans-100-11.1-172.3-64.7-81.7000113.6I324 D330 I331 G332 F370I324-F328 HydrophobicContact CG2-CD2 4.25Å; I324-F328 WeakPolarHBondContact O-CB 3.27Å; I324-F328 WeakPolarHBondContact O-CD2 3.36Å; I324-F328 PolarHBondContact O-N 3.1Å; F328-D330 PolarHBondContact O-N 3.37Å; F328-I331 HydrophobicContact CD1-CD1 3.63Å; F328-I331 HydrophobicContact CE1-CD1 4.04Å; F328-I331 HydrophobicContact CG-CD1 4.44Å; F328-I331 PolarHBondContact O-N 3.01Å; F328-G332 PolarHBondContact O-N 3.21Å; F328-F370 HydrophobicContact CB-CE1 4.12Å; F328-F370 HydrophobicContact CB-CE2 3.97Å; F328-F370 HydrophobicContact CB-CZ 3.42Å; F328-F370 VanDerWaalsContact CB-CZ 3.42Å
329G64.4Low66.9Low4 Ų461.5 Ų61.54%0.04132%0.316CS..THydrogen-bonded Turntrans-58.7-34.5175.900000113T325T325-G329 WeakPolarHBondContact O-CA 3.26Å; T325-G329 PolarHBondContact O-N 2.94Å
330D59Low64Low55 Ų5565.3 Ų65.329%0.29433%0.332SS..THydrogen-bonded Turntrans-82.5-31.8177-71.5-30.3000112.5S76 F328 G332 T333 C334S76-D330 WeakPolarHBondContact CB-OD2 3.34Å; F328-D330 PolarHBondContact O-N 3.37Å; D330-G332 VanDerWaalsContact C-N 3.3Å; D330-G332 PolarHBondContact O-N 2.83Å; D330-T333 WeakPolarHBondContact O-CB 3.34Å; D330-T333 PolarHBondContact O-N 3.05Å; D330-T333 PolarHBondContact O-OG1 3.31Å; D330-C334 PolarHBondContact O-N 2.91Å
331I51.1Low61.1Low71 Ų7166.9 Ų66.936%0.36435%0.345SS..Hα-helixtrans-63.8-34.9-178.2-67.9171.2000111.8F328 T333 C334 F335F328-I331 HydrophobicContact CD1-CD1 3.63Å; F328-I331 HydrophobicContact CE1-CD1 4.04Å; F328-I331 HydrophobicContact CG-CD1 4.44Å; F328-I331 PolarHBondContact O-N 3.01Å; I331-T333 PolarHBondContact O-N 3.17Å; I331-C334 PolarHBondContact O-N 3.22Å; I331-F335 HydrophobicContact CG2-CD2 3.5Å; I331-F335 HydrophobicContact CG2-CE2 3.61Å; I331-F335 PolarHBondContact O-N 3.34Å; I331-F335 VanDerWaalsContact O-N 3.11Å
332G47.7Very low57.8Low26 Ų2670.6 Ų70.627%0.26837%0.373SS..Hα-helixtrans-59.2-24.817400000113.9F328 D330 S366F328-G332 PolarHBondContact O-N 3.21Å; D330-G332 VanDerWaalsContact C-N 3.3Å; D330-G332 PolarHBondContact O-N 2.83Å; G332-S366 WeakPolarHBondContact O-CB 3.42Å
333T46.8Very low54.6Low21 Ų2179.7 Ų79.713%0.12941%0.412CS..Hα-helixtrans-79.1-37.1174.271.80000112D330 I331 S366D330-T333 WeakPolarHBondContact O-CB 3.34Å; D330-T333 PolarHBondContact O-N 3.05Å; D330-T333 PolarHBondContact O-OG1 3.31Å; I331-T333 PolarHBondContact O-N 3.17Å; T333-S366 WeakPolarHBondContact CG2-OG 3.31Å
334C36Very low51.5Low77 Ų7782 Ų8252%0.5243%0.429SS..Hα-helixtrans-72.3-40.8-179.3-79.10000113.3D330 I331 K336 N337 N338D330-C334 PolarHBondContact O-N 2.91Å; I331-C334 PolarHBondContact O-N 3.22Å; C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 3.34Å; C334-N337 PolarHBondContact O-N 3.35Å; C334-N338 PolarHBondContact O-N 3.12Å
335F33.2Very low48.2Very low141 Ų14188.5 Ų88.562%0.61846%0.458SS*.Hα-helixtrans-65.4-27.9-176.7-96.1-83000113.9I331I331-F335 HydrophobicContact CG2-CD2 3.5Å; I331-F335 HydrophobicContact CG2-CE2 3.61Å; I331-F335 PolarHBondContact O-N 3.34Å; I331-F335 VanDerWaalsContact O-N 3.11Å
336K35.4Very low45Very low115 Ų11595.8 Ų95.850%0.550%0.497SS..Hα-helixtrans-78-32.7176.2-109-176.6179.3178.50113.1C334 N339 Q340C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 3.34Å; K336-N339 PolarHBondContact O-N 3.36Å; K336-Q340 PolarHBondContact O-N 3.48Å; K336-Q340 VanDerWaalsContact O-N 3.14Å
337N38.5Very low41.9Very low51 Ų5198.7 Ų98.727%0.27353%0.529SS..Hα-helixtrans-64.8-43.8175.8-76.1-4000110.8C334 N339 Q340 D341C334-N337 PolarHBondContact O-N 3.35Å; N337-N339 VanDerWaalsContact C-N 3.27Å; N337-N339 PolarHBondContact O-N 3.48Å; N337-Q340 PolarHBondContact O-N 2.9Å; N337-Q340 VanDerWaalsContact O-N 3.1Å; N337-D341 PolarHBondContact O-N 2.98Å
338N34Very low39.1Very low104 Ų10498.7 Ų98.756%0.55654%0.542SS*.Hα-helixtrans-61.6-32.9177-74-3.1000113.6C334 S342C334-N338 PolarHBondContact O-N 3.12Å; N338-S342 PolarHBondContact O-N 3.46Å; N338-S342 PolarHBondContact O-OG 3.45Å
339N35.1Very low36.4Very low119 Ų119101.4 Ų101.464%0.63657%0.566SS**Hα-helixtrans-79.8-21.5177.7-80.4-11.8000113.8K336 N337K336-N339 PolarHBondContact O-N 3.36Å; N337-N339 VanDerWaalsContact C-N 3.27Å; N337-N339 PolarHBondContact O-N 3.48Å
340Q36.6Very low34.5Very low139 Ų139107.3 Ų107.365%0.6561%0.606SS**Hα-helixtrans-84.3-34.2172-75-171.7-28.300111.8K336 N337 S342 K343K336-Q340 PolarHBondContact O-N 3.48Å; K336-Q340 VanDerWaalsContact O-N 3.14Å; N337-Q340 PolarHBondContact O-N 2.9Å; N337-Q340 VanDerWaalsContact O-N 3.1Å; Q340-S342 PolarHBondContact O-N 3.47Å; Q340-K343 PolarHBondContact O-N 2.94Å
341D35Very low32.8Very low124 Ų124109.8 Ų109.866%0.66363%0.626SS**Hα-helixtrans-68.9-21.7175.7-69.6-26.3000112.6N337 K343N337-D341 PolarHBondContact O-N 2.98Å; D341-K343 PolarHBondContact O-N 3.49Å
342S29.1Very low31.6Very low91 Ų91114.8 Ų114.864%0.63665%0.648SS**THydrogen-bonded Turntrans-77.33.6175.6-570000114.6N338 Q340N338-S342 PolarHBondContact O-N 3.46Å; N338-S342 PolarHBondContact O-OG 3.45Å; Q340-S342 PolarHBondContact O-N 3.47Å
343K28.5Very low30.7Very low191 Ų191124.9 Ų124.983%0.8368%0.678SS**THydrogen-bonded Turntrans-115.914.2178.4-85.8-166.5176-173.70115.4Q340 D341Q340-K343 PolarHBondContact O-N 2.94Å; D341-K343 PolarHBondContact O-N 3.49Å
344V30.9Very low29.6Very low123 Ų123130.8 Ų130.875%0.74571%0.708SS**  trans-122.962.5170.7-167.50000110N346V344-N346 PolarHBondContact O-N 3.48Å
345E24.3Very low29Very low179 Ų179132.2 Ų132.284%0.83672%0.718SS**  trans-82.597.6153.3-78.9-174.6160.200107.3
346N24.3Very low28.7Very low160 Ų160134.2 Ų134.286%0.85673%0.727SS**  trans176.2110.5144.1-89.4-26.1000110.6V344V344-N346 PolarHBondContact O-N 3.48Å
347G25.4Very low28.3Very low71 Ų71137.4 Ų137.473%0.73274%0.744SS**  trans96.6123.9144.900000117.9
348S26.8Very low27.8Very low116 Ų116139.3 Ų139.381%0.81176%0.761SS**  trans83102.2155.770.90000118.8C350S348-C350 PolarHBondContact O-N 2.84Å
349T23.3Very low27.8Very low151 Ų151139.4 Ų139.493%0.92676%0.76SS**  trans-42.4107.1153.844.50000112.3
350C24.2Very low27.7Very low129 Ų129140.7 Ų140.787%0.87277%0.767SS**  trans-122.8121160.6-153.10000109.1S348S348-C350 PolarHBondContact O-N 2.84Å
351C23.6Very low27.5Very low106 Ų106142.7 Ų142.772%0.71677%0.774SS**  trans-65.9144.4-176-890000113.6
352Q25.1Very low27.8Very low176 Ų176141.6 Ų141.682%0.82276%0.763SS**SBendtrans79.3109.5133.5-71.6174.7-20.400120.8N354Q352-N354 PolarHBondContact O-N 3.43Å
353R28.7Very low28.5Very low238 Ų238139.3 Ų139.390%0.89875%0.746SS**SBendtrans79.8-3.9132.1-113.3177.5-175.7169.30.6122.3
354N22.9Very low29.9Very low145 Ų145135.2 Ų135.278%0.77574%0.739SS**  trans-114.29.8171.8-78.9-9.7000116Q352 F356Q352-N354 PolarHBondContact O-N 3.43Å; N354-F356 PolarHBondContact O-N 3.18Å
355C24.2Very low31.5Very low108 Ų108132.5 Ų132.573%0.7373%0.726SS**G310 helixtrans-77.8-1.8175.4-127.30000114.4Q357C355-Q357 VanDerWaalsContact C-N 3.29Å; C355-Q357 PolarHBondContact O-N 2.6Å
356F26.4Very low34.1Very low182 Ų182124.5 Ų124.580%0.79869%0.69SS**G310 helixtrans-76.3-12.4176.7-116.6-84.7000113.9N354 I359N354-F356 PolarHBondContact O-N 3.18Å; F356-I359 HydrophobicContact CD1-CD1 4.43Å; F356-I359 HydrophobicContact CE1-CD1 4.44Å
357Q27.3Very low37Very low183 Ų183119.2 Ų119.286%0.85566%0.659SS**G310 helixtrans-91.5-1.8179.1-80.7-174.7-17.100114.8C355C355-Q357 VanDerWaalsContact C-N 3.29Å; C355-Q357 PolarHBondContact O-N 2.6Å
358S28.9Very low40.1Very low90 Ų90116.9 Ų116.963%0.62963%0.628SS**SBendtrans-94.4-3175.9-166.80000114.5N360S358-N360 VanDerWaalsContact C-N 3.31Å; S358-N360 PolarHBondContact O-N 3.08Å
359I34Very low43.2Very low106 Ų106115.5 Ų115.554%0.54461%0.609SS.*THydrogen-bonded Turntrans-76.5-11.2-173.9-67.3173.8000113.5F356F356-I359 HydrophobicContact CD1-CD1 4.43Å; F356-I359 HydrophobicContact CE1-CD1 4.44Å
360N31.2Very low46.5Very low146 Ų146110.9 Ų110.978%0.78158%0.576SS**THydrogen-bonded Turntrans-110.517.2-169.8-107.6-1.2000117.3S358 K362S358-N360 VanDerWaalsContact C-N 3.31Å; S358-N360 PolarHBondContact O-N 3.08Å; N360-K362 PolarHBondContact O-N 3.13Å
361K33.2Very low49.8Very low181 Ų181104.8 Ų104.879%0.78754%0.535SS*.  trans-72.880.6161.4-79.9-174.2-179.9175.20108.5C363K361-C363 PolarHBondContact O-N 3.21Å
362K40.8Very low53.2Low102 Ų102100 Ų10044%0.44350%0.502SS..  trans-42.9111160.8-83.4179.6172.31770106.2N360 P364N360-K362 PolarHBondContact O-N 3.13Å; K362-P364 WeakPolarHBondContact O-CD 3.41Å; K362-P364 VanDerWaalsContact O-N 3.13Å
363C45.2Very low56.6Low42 Ų4293.8 Ų93.828%0.28448%0.481SS..  trans-72.4103.5173.5-81.70000107.3K361 S365 S366K361-C363 PolarHBondContact O-N 3.21Å; C363-S365 PolarHBondContact O-N 3.35Å; C363-S366 PolarHBondContact O-N 3.24Å; C363-S366 PolarHBondContact O-OG 3.01Å
364P56.4Low59.8Low105 Ų10583.3 Ų83.368%0.68244%0.443SS*.Hα-helixtrans-60.2-26.2-175.725.8-34.3000111.9K362 S366 Y368K362-P364 WeakPolarHBondContact O-CD 3.41Å; K362-P364 VanDerWaalsContact O-N 3.13Å; P364-S366 PolarHBondContact O-N 3.37Å; P364-Y368 PolarHBondContact O-N 2.76Å; P364-Y368 VanDerWaalsContact O-N 3.11Å
365S65.2Low63.3Low67 Ų6776.4 Ų76.447%0.46941%0.406SS..Hα-helixtrans-65.8-31.9176.962.90000114.1C363 Q369C363-S365 PolarHBondContact O-N 3.35Å; S365-Q369 WeakPolarHBondContact O-CG 3.29Å; S365-Q369 PolarHBondContact O-N 3.25Å
366S78.5Confident66.8Low11 Ų1172.5 Ų72.58%0.07738%0.377CS..Hα-helixtrans-73.9-43.1179.164.10000111.7G332 T333 C363 P364 Q369 F370G332-S366 WeakPolarHBondContact O-CB 3.42Å; T333-S366 WeakPolarHBondContact CG2-OG 3.31Å; C363-S366 PolarHBondContact O-N 3.24Å; C363-S366 PolarHBondContact O-OG 3.01Å; P364-S366 PolarHBondContact O-N 3.37Å; S366-Q369 PolarHBondContact O-N 3.18Å; S366-F370 PolarHBondContact O-N 3.45Å
367K86.3Confident70.2Confident48 Ų4869 Ų6921%0.20937%0.366CS..Hα-helixtrans-63-50.1178.1-175-177.8172.7-145.70111.3Q369 F370 H371 D439K367-Q369 VanDerWaalsContact C-N 3.32Å; K367-Q369 PolarHBondContact O-N 3.11Å; K367-F370 WeakPolarHBondContact O-CB 3.16Å; K367-F370 PolarHBondContact O-N 3.41Å; K367-F370 VanDerWaalsContact O-N 3.13Å; K367-H371 WeakPolarHBondContact CE-NE2 3.26Å; K367-H371 VanDerWaalsContact CG-NE2 3.31Å; K367-H371 WeakPolarHBondContact CG-NE2 3.3Å; K367-H371 PolarHBondContact O-CD2 2.96Å; K367-H371 PolarHBondContact O-N 3.1Å; K367-D439 WeakPolarHBondContact CE-OD1 3.24Å; K367-D439 IonicContact NZ-OD1 3.83Å; K367-D439 PolarHBondContact NZ-OD1 3.3Å
368Y90.6Very high73.6Confident22 Ų2260.3 Ų60.39%0.08633%0.325CS..Hα-helixtrans-53.1-47.8175.6167.6-109.3000112.4P364 F370 H371 L372 L436 D439 I440P364-Y368 PolarHBondContact O-N 2.76Å; P364-Y368 VanDerWaalsContact O-N 3.11Å; Y368-F370 VanDerWaalsContact C-N 3.33Å; Y368-F370 PolarHBondContact O-N 2.81Å; Y368-H371 PolarHBondContact O-N 3.26Å; Y368-L372 HydrophobicContact CE1-CD2 4.11Å; Y368-L372 VanDerWaalsContact O-CB 3.23Å; Y368-L372 WeakPolarHBondContact O-CB 3.44Å; Y368-L372 PolarHBondContact O-N 2.99Å; Y368-L436 HydrophobicContact CD2-CD2 4.17Å; Y368-L436 HydrophobicContact CE2-CD2 4.2Å; Y368-D439 HydrophobicContact CD2-CB 4.36Å; Y368-I440 HydrophobicContact CD2-CG1 3.91Å; Y368-I440 HydrophobicContact CE2-CD1 3.92Å; Y368-I440 HydrophobicContact CE2-CG1 3.48Å; Y368-I440 VanDerWaalsContact CE2-CG1 3.48Å
369Q91.2Very high76.9Confident88 Ų8856 Ų5641%0.41130%0.295SS..Hα-helixtrans-65.5-36.2-179-70.7-70.7-25.700112.2S365 S366 K367 L372 A373 E500S365-Q369 WeakPolarHBondContact O-CG 3.29Å; S365-Q369 PolarHBondContact O-N 3.25Å; S366-Q369 PolarHBondContact O-N 3.18Å; K367-Q369 VanDerWaalsContact C-N 3.32Å; K367-Q369 PolarHBondContact O-N 3.11Å; Q369-L372 PolarHBondContact O-N 2.88Å; Q369-A373 WeakPolarHBondContact O-CB 3.34Å; Q369-A373 PolarHBondContact O-N 3.29Å; Q369-E500 PolarHBondContact NE2-OE2 3.23Å
370F92.4Very high79.9Confident54 Ų5454.3 Ų54.324%0.23729%0.287CS..Hα-helixtrans-64.8-50.8174.5173.9-104.4000112.2I324 T325 F328 S366 K367 Y368 L372 A373 I374I324-F370 HydrophobicContact CG2-CZ 4.26Å; T325-F370 HydrophobicContact CG2-CE1 4.48Å; F328-F370 HydrophobicContact CB-CE1 4.12Å; F328-F370 HydrophobicContact CB-CE2 3.97Å; F328-F370 HydrophobicContact CB-CZ 3.42Å; F328-F370 VanDerWaalsContact CB-CZ 3.42Å; S366-F370 PolarHBondContact O-N 3.45Å; K367-F370 WeakPolarHBondContact O-CB 3.16Å; K367-F370 PolarHBondContact O-N 3.41Å; K367-F370 VanDerWaalsContact O-N 3.13Å; Y368-F370 VanDerWaalsContact C-N 3.33Å; Y368-F370 PolarHBondContact O-N 2.81Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 3.23Å; F370-A373 PolarHBondContact O-N 3.22Å; F370-I374 HydrophobicContact CD1-CD1 4.15Å; F370-I374 HydrophobicContact CD2-CD1 4.49Å; F370-I374 HydrophobicContact CE1-CD1 3.48Å; F370-I374 VanDerWaalsContact CE1-CD1 3.48Å; F370-I374 HydrophobicContact CE2-CD1 3.87Å; F370-I374 HydrophobicContact CE2-CG1 4.44Å; F370-I374 HydrophobicContact CZ-CD1 3.31Å; F370-I374 HydrophobicContact CZ-CG1 4.33Å; F370-I374 PolarHBondContact O-N 3.31Å; F370-I374 VanDerWaalsContact O-N 3.09Å
371H94Very high83.1Confident1 Ų149.8 Ų49.81%0.00526%0.263CS..Hα-helixtrans-63.6-34.8176.5-65.4-69.2000112.1K367 Y368 I374 F375 Q435 L436 D439K367-H371 WeakPolarHBondContact CE-NE2 3.26Å; K367-H371 VanDerWaalsContact CG-NE2 3.31Å; K367-H371 WeakPolarHBondContact CG-NE2 3.3Å; K367-H371 PolarHBondContact O-CD2 2.96Å; K367-H371 PolarHBondContact O-N 3.1Å; Y368-H371 PolarHBondContact O-N 3.26Å; H371-I374 PolarHBondContact O-N 2.92Å; H371-F375 WeakPolarHBondContact O-CB 3.41Å; H371-F375 PolarHBondContact O-N 2.7Å; H371-Q435 PolarHBondContact CE1-OE1 3.1Å; H371-Q435 PolarHBondContact ND1-OE1 3.11Å; H371-L436 HydrophobicContact CB-CD2 3.77Å; H371-L436 HydrophobicContact CB-CG 4.15Å; H371-D439 IonicContact CD2-OD2 2.93Å; H371-D439 PolarHBondContact CD2-OD2 3.36Å; H371-D439 IonicContact CG-OD2 3.78Å; H371-D439 IonicContact NE2-OD2 3.66Å
372L95.3Very high86.2Confident5 Ų541.2 Ų41.23%0.02623%0.225CC..Hα-helixtrans-65.1-43.4175.8-173.366.6000111.6Y368 Q369 F370 I374 F375 L376 L436 V496 E500Y368-L372 HydrophobicContact CE1-CD2 4.11Å; Y368-L372 VanDerWaalsContact O-CB 3.23Å; Y368-L372 WeakPolarHBondContact O-CB 3.44Å; Y368-L372 PolarHBondContact O-N 2.99Å; Q369-L372 PolarHBondContact O-N 2.88Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 3.23Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.39Å; L372-F375 HydrophobicContact CD1-CD1 4.41Å; L372-F375 PolarHBondContact O-N 2.91Å; L372-L376 HydrophobicContact CG-CD1 4.49Å; L372-L376 WeakPolarHBondContact O-CG 3.16Å; L372-L376 PolarHBondContact O-N 3.23Å; L372-L436 HydrophobicContact CB-CD2 4.43Å; L372-V496 HydrophobicContact CD1-CG1 3.81Å; L372-V496 HydrophobicContact CG-CG1 4.47Å; L372-E500 HydrophobicContact CD2-CG 3.82Å
373A95.3Very high88.9Confident46 Ų4636.9 Ų36.938%0.3821%0.208SC..Hα-helixtrans-61.2-43.5176.400000111.6Q369 F370 L376 I377Q369-A373 WeakPolarHBondContact O-CB 3.34Å; Q369-A373 PolarHBondContact O-N 3.29Å; F370-A373 PolarHBondContact O-N 3.22Å; A373-L376 PolarHBondContact O-N 3.35Å; A373-I377 VanDerWaalsContact O-CG1 3.32Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.37Å
374I96.1Very high91.4Very high18 Ų1837.3 Ų37.39%0.09221%0.214CC..Hα-helixtrans-59.8-49.4174.5-70178.2000110.4Y321 I324 T325 F370 H371 L372 L376 I377 T378 M432Y321-I374 HydrophobicContact CD1-CG2 3.53Å; Y321-I374 HydrophobicContact CE1-CG2 3.54Å; I324-I374 HydrophobicContact CG2-CD1 3.78Å; T325-I374 HydrophobicContact CG2-CD1 3.68Å; F370-I374 HydrophobicContact CD1-CD1 4.15Å; F370-I374 HydrophobicContact CD2-CD1 4.49Å; F370-I374 HydrophobicContact CE1-CD1 3.48Å; F370-I374 VanDerWaalsContact CE1-CD1 3.48Å; F370-I374 HydrophobicContact CE2-CD1 3.87Å; F370-I374 HydrophobicContact CE2-CG1 4.44Å; F370-I374 HydrophobicContact CZ-CD1 3.31Å; F370-I374 HydrophobicContact CZ-CG1 4.33Å; F370-I374 PolarHBondContact O-N 3.31Å; F370-I374 VanDerWaalsContact O-N 3.09Å; H371-I374 PolarHBondContact O-N 2.92Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.39Å; I374-L376 VanDerWaalsContact C-N 3.3Å; I374-L376 PolarHBondContact O-N 2.93Å; I374-I377 PolarHBondContact O-N 3.2Å; I374-I377 VanDerWaalsContact O-N 3.16Å; I374-T378 PolarHBondContact O-N 3.46Å; I374-T378 PolarHBondContact O-OG1 2.82Å; I374-M432 HydrophobicContact CB-SD 4.26Å; I374-M432 HydrophobicContact CG2-CE 4.29Å; I374-M432 HydrophobicContact CG2-CG 4.21Å; I374-M432 HydrophobicContact CG2-SD 3.73Å
375F97Very high93.4Very high0 Ų033 Ų330%019%0.187CC..Hα-helixtrans-56.3-42.1177.4173.3-105000112.9Y260 H371 L372 T378 L379 L429 M432 L436 V496Y260-F375 HydrophobicContact CD2-CE1 4.16Å; Y260-F375 HydrophobicContact CD2-CZ 4.32Å; Y260-F375 HydrophobicContact CE2-CD1 4.19Å; Y260-F375 HydrophobicContact CE2-CD2 4.2Å; Y260-F375 AromaticContact CE2-CE1 3.89Å; Y260-F375 HydrophobicContact CE2-CE1 3.89Å; Y260-F375 AromaticContact CE2-CE2 3.91Å; Y260-F375 HydrophobicContact CE2-CE2 3.91Å; Y260-F375 HydrophobicContact CE2-CG 4.34Å; Y260-F375 AromaticContact CE2-CZ 3.75Å; Y260-F375 HydrophobicContact CE2-CZ 3.75Å; H371-F375 WeakPolarHBondContact O-CB 3.41Å; H371-F375 PolarHBondContact O-N 2.7Å; L372-F375 HydrophobicContact CD1-CD1 4.41Å; L372-F375 PolarHBondContact O-N 2.91Å; F375-T378 WeakPolarHBondContact O-CB 3.06Å; F375-T378 PolarHBondContact O-N 3.11Å; F375-L379 HydrophobicContact CD1-CD1 4.08Å; F375-L379 HydrophobicContact CE1-CD1 3.51Å; F375-L379 HydrophobicContact CE1-CG 4.29Å; F375-L379 HydrophobicContact CE2-CD1 4.39Å; F375-L379 HydrophobicContact CE2-CD2 4.49Å; F375-L379 HydrophobicContact CE2-CG 4.35Å; F375-L379 HydrophobicContact CZ-CD1 3.69Å; F375-L379 HydrophobicContact CZ-CD2 4.31Å; F375-L379 HydrophobicContact CZ-CG 4.12Å; F375-L379 WeakPolarHBondContact O-CG 3.46Å; F375-L379 PolarHBondContact O-N 3.5Å; F375-L429 HydrophobicContact CD2-CD2 3.82Å; F375-L429 HydrophobicContact CE2-CD2 3.55Å; F375-M432 HydrophobicContact CB-CG 4.35Å; F375-M432 HydrophobicContact CD2-CB 4.36Å; F375-L436 HydrophobicContact CB-CD1 3.7Å; F375-L436 HydrophobicContact CD1-CD1 4.36Å; F375-L436 HydrophobicContact CD2-CD1 4.17Å; F375-L436 HydrophobicContact CG-CD1 3.83Å; F375-V496 HydrophobicContact CE1-CG2 4.4Å
376L97.8Very high94.9Very high25 Ų2529.8 Ų29.813%0.13116%0.164CC..Hα-helixtrans-64-43.4176.1-72.7175.5000112.5L372 A373 I374 T378 L379 L380 F493 V496 V497L372-L376 HydrophobicContact CG-CD1 4.49Å; L372-L376 WeakPolarHBondContact O-CG 3.16Å; L372-L376 PolarHBondContact O-N 3.23Å; A373-L376 PolarHBondContact O-N 3.35Å; I374-L376 VanDerWaalsContact C-N 3.3Å; I374-L376 PolarHBondContact O-N 2.93Å; L376-T378 VanDerWaalsContact C-N 3.31Å; L376-T378 PolarHBondContact O-N 3.42Å; L376-L379 PolarHBondContact O-N 3.16Å; L376-L380 PolarHBondContact O-N 3.27Å; L376-L380 VanDerWaalsContact O-N 3.14Å; L376-F493 HydrophobicContact CB-CD2 3.97Å; L376-F493 HydrophobicContact CB-CE2 3.93Å; L376-F493 HydrophobicContact CD2-CD2 3.65Å; L376-F493 HydrophobicContact CD2-CE2 4.07Å; L376-F493 HydrophobicContact CD2-CG 4.45Å; L376-F493 HydrophobicContact CG-CD2 4.39Å; L376-F493 HydrophobicContact CG-CE2 4.48Å; L376-F493 WeakPolarHBondContact O-CD2 3.33Å; L376-V496 HydrophobicContact CD2-CB 3.81Å; L376-V496 HydrophobicContact CD2-CG1 3.72Å; L376-V496 HydrophobicContact CG-CG1 4.38Å; L376-V497 HydrophobicContact CD1-CG2 4.15Å; L376-V497 HydrophobicContact CD2-CG2 4.02Å
377I97.6Very high95.9Very high109 Ų10932.2 Ų32.256%0.55918%0.176SC*.Hα-helixtrans-61.6-42.4174.8-67.3164.5000110.2A373 I374 L379 L380 L381A373-I377 VanDerWaalsContact O-CG1 3.32Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.37Å; I374-I377 PolarHBondContact O-N 3.2Å; I374-I377 VanDerWaalsContact O-N 3.16Å; I377-L379 VanDerWaalsContact C-N 3.34Å; I377-L379 PolarHBondContact O-N 3.33Å; I377-L380 PolarHBondContact O-N 2.82Å; I377-L381 WeakPolarHBondContact O-CB 3.48Å; I377-L381 PolarHBondContact O-N 3.3Å
378T97.7Very high96.3Very high0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-61.4-40.4177.2-51.80000112.1Y321 I374 F375 L376 L381 N382 S425 L429Y321-T378 WeakPolarHBondContact CE1-OG1 3.35Å; Y321-T378 VanDerWaalsContact CZ-OG1 3.31Å; Y321-T378 PolarHBondContact OH-OG1 2.98Å; Y321-T378 VanDerWaalsContact OH-OG1 3.12Å; I374-T378 PolarHBondContact O-N 3.46Å; I374-T378 PolarHBondContact O-OG1 2.82Å; F375-T378 WeakPolarHBondContact O-CB 3.06Å; F375-T378 PolarHBondContact O-N 3.11Å; L376-T378 VanDerWaalsContact C-N 3.31Å; L376-T378 PolarHBondContact O-N 3.42Å; T378-L381 PolarHBondContact O-N 2.91Å; T378-N382 WeakPolarHBondContact O-CB 3.4Å; T378-N382 PolarHBondContact O-N 3.07Å; T378-S425 WeakPolarHBondContact CG2-O 3.3Å; T378-L429 HydrophobicContact CG2-CD2 3.96Å; T378-L429 HydrophobicContact CG2-CG 3.88Å
379L98.2Very high96.6Very high0 Ų031.4 Ų31.40%018%0.177CC..Hα-helixtrans-64.4-41.9176.4-74.2174.6000112.4A267 F375 L376 I377 N382 S383 L429 A492 F493A267-L379 HydrophobicContact CB-CD2 3.5Å; F375-L379 HydrophobicContact CD1-CD1 4.08Å; F375-L379 HydrophobicContact CE1-CD1 3.51Å; F375-L379 HydrophobicContact CE1-CG 4.29Å; F375-L379 HydrophobicContact CE2-CD1 4.39Å; F375-L379 HydrophobicContact CE2-CD2 4.49Å; F375-L379 HydrophobicContact CE2-CG 4.35Å; F375-L379 HydrophobicContact CZ-CD1 3.69Å; F375-L379 HydrophobicContact CZ-CD2 4.31Å; F375-L379 HydrophobicContact CZ-CG 4.12Å; F375-L379 WeakPolarHBondContact O-CG 3.46Å; F375-L379 PolarHBondContact O-N 3.5Å; L376-L379 PolarHBondContact O-N 3.16Å; I377-L379 VanDerWaalsContact C-N 3.34Å; I377-L379 PolarHBondContact O-N 3.33Å; L379-N382 PolarHBondContact O-N 3.14Å; L379-S383 WeakPolarHBondContact O-CB 3.29Å; L379-S383 PolarHBondContact O-N 3.09Å; L379-L429 HydrophobicContact CD2-CD2 3.94Å; L379-L429 HydrophobicContact CG-CD2 4.35Å; L379-A492 HydrophobicContact CD1-CB 4.23Å; L379-A492 HydrophobicContact CD2-CB 4.31Å; L379-F493 HydrophobicContact CB-CB 4.02Å; L379-F493 HydrophobicContact CD1-CB 4.19Å
380L98.1Very high96.8Very high71 Ų7127.2 Ų27.237%0.37216%0.158SC..Hα-helixtrans-63.6-44.9174.9-73.1175.9000111.6L376 I377 N382 S383 A384 L490 F493L376-L380 PolarHBondContact O-N 3.27Å; L376-L380 VanDerWaalsContact O-N 3.14Å; I377-L380 PolarHBondContact O-N 2.82Å; L380-N382 PolarHBondContact O-N 3.09Å; L380-S383 PolarHBondContact O-N 2.9Å; L380-A384 WeakPolarHBondContact O-CB 3.48Å; L380-A384 PolarHBondContact O-N 3.29Å; L380-L490 HydrophobicContact CD2-CD1 4Å; L380-F493 HydrophobicContact CD1-CD2 4.07Å; L380-F493 HydrophobicContact CD1-CE1 4.4Å; L380-F493 HydrophobicContact CD1-CE2 3.49Å; L380-F493 VanDerWaalsContact CD1-CE2 3.49Å; L380-F493 HydrophobicContact CD1-CZ 3.69Å; L380-F493 HydrophobicContact CD2-CD1 3.76Å; L380-F493 HydrophobicContact CD2-CD2 3.94Å; L380-F493 HydrophobicContact CD2-CE1 3.85Å; L380-F493 HydrophobicContact CD2-CE2 4.01Å; L380-F493 HydrophobicContact CD2-CG 3.82Å; L380-F493 HydrophobicContact CD2-CZ 3.97Å; L380-F493 HydrophobicContact CG-CD1 4.35Å; L380-F493 HydrophobicContact CG-CD2 3.6Å; L380-F493 HydrophobicContact CG-CE1 4.35Å; L380-F493 HydrophobicContact CG-CE2 3.58Å; L380-F493 HydrophobicContact CG-CG 4.01Å; L380-F493 HydrophobicContact CG-CZ 3.98Å
381L97.9Very high96.9Very high51 Ų5129.1 Ų29.127%0.26717%0.17SC..Hα-helixtrans-59.6-47.1175.9-179.464.6000110.8I377 T378 S383 A384 C385 F421 I424I377-L381 WeakPolarHBondContact O-CB 3.48Å; I377-L381 PolarHBondContact O-N 3.3Å; T378-L381 PolarHBondContact O-N 2.91Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.12Å; L381-A384 PolarHBondContact O-N 3.25Å; L381-C385 WeakPolarHBondContact O-CB 3.46Å; L381-C385 PolarHBondContact O-N 3.16Å; L381-C385 PolarHBondContact O-SG 3.03Å; L381-F421 HydrophobicContact CD1-CD1 4.39Å; L381-I424 HydrophobicContact CD2-CG2 4.44Å
382N98Very high97Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-59.6-44.8177.9-175.8-100.1000112T378 L379 L380 T386 S425 N426 S489T378-N382 WeakPolarHBondContact O-CB 3.4Å; T378-N382 PolarHBondContact O-N 3.07Å; L379-N382 PolarHBondContact O-N 3.14Å; L380-N382 PolarHBondContact O-N 3.09Å; N382-T386 WeakPolarHBondContact O-CB 3.46Å; N382-T386 PolarHBondContact O-N 3.17Å; N382-T386 PolarHBondContact O-OG1 3.32Å; N382-S425 WeakPolarHBondContact CA-OG 3.28Å; N382-S425 WeakPolarHBondContact CB-OG 3.47Å; N382-S425 PolarHBondContact ND2-OG 3.25Å; N382-N426 PolarHBondContact ND2-OD1 2.97Å; N382-S489 WeakPolarHBondContact OD1-CB 3.23Å; N382-S489 PolarHBondContact OD1-OG 2.89Å
383S98.3Very high96.8Very high11 Ų1131.3 Ų31.38%0.07718%0.184CC..Hα-helixtrans-61.5-49.3177.1-178.20000111.6L379 L380 L381 C385 T386 L387 A486L379-S383 WeakPolarHBondContact O-CB 3.29Å; L379-S383 PolarHBondContact O-N 3.09Å; L380-S383 PolarHBondContact O-N 2.9Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.12Å; S383-C385 PolarHBondContact O-N 3.03Å; S383-T386 PolarHBondContact O-N 3.08Å; S383-L387 VanDerWaalsContact O-CB 3.27Å; S383-L387 WeakPolarHBondContact O-CB 3.48Å; S383-L387 PolarHBondContact O-N 3.07Å; S383-A486 WeakPolarHBondContact CB-O 3.38Å; S383-A486 PolarHBondContact OG-O 3.34Å
384A98.1Very high96.4Very high51 Ų5129.2 Ų29.242%0.42117%0.167SC..Hα-helixtrans-62.5-44.1-17900000112.7L380 L381 L387 T388L380-A384 WeakPolarHBondContact O-CB 3.48Å; L380-A384 PolarHBondContact O-N 3.29Å; L381-A384 PolarHBondContact O-N 3.25Å; A384-L387 PolarHBondContact O-N 3.31Å; A384-T388 PolarHBondContact O-N 3.18Å; A384-T388 PolarHBondContact O-OG1 3.43Å
385C97.7Very high95.9Very high15 Ų1535.3 Ų35.310%0.10119%0.189CC..Hα-helixtrans-70.8-37.9179.5-60.30000111.9L381 S383 T388 L389 F421 V422L381-C385 WeakPolarHBondContact O-CB 3.46Å; L381-C385 PolarHBondContact O-N 3.16Å; L381-C385 PolarHBondContact O-SG 3.03Å; S383-C385 PolarHBondContact O-N 3.03Å; C385-T388 WeakPolarHBondContact O-CB 3.32Å; C385-T388 PolarHBondContact O-N 3.3Å; C385-L389 PolarHBondContact O-N 2.89Å; C385-L389 VanDerWaalsContact O-N 3.08Å; C385-F421 HydrophobicContact CB-CB 4.21Å; C385-F421 WeakPolarHBondContact SG-CB 3.41Å; C385-V422 HydrophobicContact CB-CG2 3.63Å
386T97.6Very high95.4Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-66.8-39.2174.6-56.70000111.7P274 N382 S383 T388 L389 A390 A485 A486P274-T386 HydrophobicContact CG-CG2 3.53Å; N382-T386 WeakPolarHBondContact O-CB 3.46Å; N382-T386 PolarHBondContact O-N 3.17Å; N382-T386 PolarHBondContact O-OG1 3.32Å; S383-T386 PolarHBondContact O-N 3.08Å; T386-T388 VanDerWaalsContact C-N 3.29Å; T386-T388 PolarHBondContact O-N 2.88Å; T386-L389 WeakPolarHBondContact O-CB 3.45Å; T386-L389 PolarHBondContact O-N 3.04Å; T386-A390 PolarHBondContact O-N 3.39Å; T386-A390 VanDerWaalsContact O-N 3.14Å; T386-A485 HydrophobicContact CG2-CB 3.75Å; T386-A486 HydrophobicContact CG2-CB 4.02Å
387L97.6Very high94.9Very high62 Ų6236.9 Ų36.933%0.32520%0.202SC..Hα-helixtrans-62.5-40.1174-175.860.6000110.9S383 A384 L389 A390 L391 L483 A486S383-L387 VanDerWaalsContact O-CB 3.27Å; S383-L387 WeakPolarHBondContact O-CB 3.48Å; S383-L387 PolarHBondContact O-N 3.07Å; A384-L387 PolarHBondContact O-N 3.31Å; L387-L389 PolarHBondContact O-N 2.89Å; L387-A390 PolarHBondContact O-N 2.97Å; L387-A390 VanDerWaalsContact O-N 3.16Å; L387-L391 HydrophobicContact CD1-CD1 3.81Å; L387-L391 HydrophobicContact CD1-CG 4.08Å; L387-L391 HydrophobicContact CD2-CD1 4.4Å; L387-L391 HydrophobicContact CG-CD1 3.78Å; L387-L391 HydrophobicContact CG-CG 4.34Å; L387-L391 WeakPolarHBondContact O-CB 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.27Å; L387-L391 PolarHBondContact O-N 3.27Å; L387-L483 HydrophobicContact CD1-CD2 3.7Å; L387-A486 HydrophobicContact CB-CB 3.8Å; L387-A486 HydrophobicContact CD1-CB 4.29Å
388T96.7Very high94.2Very high52 Ų5238.8 Ų38.832%0.31921%0.208SC..Hα-helixtrans-59-47.1175.4-55.90000110.7A384 C385 T386 A390 L391 V392 L414 A418A384-T388 PolarHBondContact O-N 3.18Å; A384-T388 PolarHBondContact O-OG1 3.43Å; C385-T388 WeakPolarHBondContact O-CB 3.32Å; C385-T388 PolarHBondContact O-N 3.3Å; T386-T388 VanDerWaalsContact C-N 3.29Å; T386-T388 PolarHBondContact O-N 2.88Å; T388-A390 VanDerWaalsContact C-N 3.26Å; T388-A390 PolarHBondContact O-N 3.28Å; T388-L391 PolarHBondContact O-N 3.17Å; T388-L391 VanDerWaalsContact O-N 3.11Å; T388-V392 WeakPolarHBondContact O-CG2 3.19Å; T388-V392 PolarHBondContact O-N 3.39Å; T388-L414 HydrophobicContact CG2-CD1 4.07Å; T388-L414 HydrophobicContact CG2-CD2 4.41Å; T388-L414 HydrophobicContact CG2-CG 4.15Å; T388-A418 HydrophobicContact CG2-CB 4.02Å
389L96Very high93.4Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-56.4-40.1175.3-70177.4000112.6P274 C385 T386 L387 L391 L415 A418 V422P274-L389 HydrophobicContact CB-CD1 4.06Å; C385-L389 PolarHBondContact O-N 2.89Å; C385-L389 VanDerWaalsContact O-N 3.08Å; T386-L389 WeakPolarHBondContact O-CB 3.45Å; T386-L389 PolarHBondContact O-N 3.04Å; L387-L389 PolarHBondContact O-N 2.89Å; L389-L391 VanDerWaalsContact C-N 3.31Å; L389-L391 PolarHBondContact O-N 3.31Å; L389-L415 HydrophobicContact CD2-CD2 3.72Å; L389-A418 HydrophobicContact CD2-CB 3.52Å; L389-A418 HydrophobicContact CG-CB 3.85Å; L389-V422 HydrophobicContact CD1-CG2 3.85Å
390A95Very high92.5Very high1 Ų149.9 Ų49.91%0.00826%0.263CS..Hα-helixtrans-72.4-23.7-179.700000113.9T386 L387 T388 Q479 L482 L483T386-A390 PolarHBondContact O-N 3.39Å; T386-A390 VanDerWaalsContact O-N 3.14Å; L387-A390 PolarHBondContact O-N 2.97Å; L387-A390 VanDerWaalsContact O-N 3.16Å; T388-A390 VanDerWaalsContact C-N 3.26Å; T388-A390 PolarHBondContact O-N 3.28Å; A390-Q479 VanDerWaalsContact O-CG 3.27Å; A390-Q479 WeakPolarHBondContact O-CG 3.18Å; A390-Q479 PolarHBondContact O-NE2 3.5Å; A390-Q479 VanDerWaalsContact O-NE2 3.1Å; A390-L482 HydrophobicContact CB-CB 3.58Å; A390-L483 HydrophobicContact CB-CD2 3.71Å; A390-L483 HydrophobicContact CB-CG 3.84Å
391L95.5Very high91.6Very high94 Ų9449 Ų4949%0.49226%0.263SS..Hα-helixtrans-106.3-5.5-173.5-65.7-178.6000113.8L387 T388 L389 P393 L483L387-L391 HydrophobicContact CD1-CD1 3.81Å; L387-L391 HydrophobicContact CD1-CG 4.08Å; L387-L391 HydrophobicContact CD2-CD1 4.4Å; L387-L391 HydrophobicContact CG-CD1 3.78Å; L387-L391 HydrophobicContact CG-CG 4.34Å; L387-L391 WeakPolarHBondContact O-CB 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.27Å; L387-L391 PolarHBondContact O-N 3.27Å; T388-L391 PolarHBondContact O-N 3.17Å; T388-L391 VanDerWaalsContact O-N 3.11Å; L389-L391 VanDerWaalsContact C-N 3.31Å; L389-L391 PolarHBondContact O-N 3.31Å; L391-P393 WeakPolarHBondContact O-CD 3.49Å; L391-L483 HydrophobicContact CD2-CD2 4.06Å; L391-L483 HydrophobicContact CG-CD2 4.46Å
392V94.7Very high90.8Very high4 Ų454 Ų542%0.02428%0.282CS..  trans-58.1122.7174-179.10000108.6T388 L394 E411 L414 L415T388-V392 WeakPolarHBondContact O-CG2 3.19Å; T388-V392 PolarHBondContact O-N 3.39Å; V392-L394 HydrophobicContact CG1-CG 4.4Å; V392-L394 PolarHBondContact O-N 3.2Å; V392-E411 HydrophobicContact CG1-CB 3.83Å; V392-E411 HydrophobicContact CG1-CG 4.32Å; V392-L414 HydrophobicContact CG2-CD2 3.87Å; V392-L414 HydrophobicContact CG2-CG 4Å; V392-L415 HydrophobicContact CB-CD2 4Å; V392-L415 HydrophobicContact CB-CG 4.17Å; V392-L415 HydrophobicContact CG1-CD1 4.32Å; V392-L415 HydrophobicContact CG1-CD2 4.38Å; V392-L415 HydrophobicContact CG1-CG 4Å; V392-L415 HydrophobicContact CG2-CD2 3.74Å; V392-L415 HydrophobicContact CG2-CG 3.97Å
393P91.3Very high90Very high47 Ų4759.5 Ų59.531%0.30531%0.308SS..  trans-78.466.1-175.433.6-36.8000111L391 W395 S396L391-P393 WeakPolarHBondContact O-CD 3.49Å; P393-W395 HydrophobicContact CB-CD2 4.21Å; P393-W395 HydrophobicContact CB-CH2 4.01Å; P393-W395 HydrophobicContact CB-CZ2 3.52Å; P393-W395 PolarHBondContact O-N 3.42Å; P393-S396 PolarHBondContact O-N 3.27Å; P393-S396 PolarHBondContact O-OG 3.49Å
394L88.2Confident89.4Confident2 Ų259.1 Ų59.11%0.0131%0.305CS..G310 helixtrans-55.8-25.9179.7-82.9172.1000113.4V282 T285 L289 V392 S396 V397 L406 E411 L415V282-L394 HydrophobicContact CB-CD1 4.42Å; V282-L394 HydrophobicContact CG1-CD1 4.41Å; V282-L394 HydrophobicContact CG2-CD1 4Å; T285-L394 HydrophobicContact CG2-CB 3.73Å; T285-L394 HydrophobicContact CG2-CD1 4.39Å; L289-L394 VanDerWaalsContact CD1-O 3.31Å; L289-L394 WeakPolarHBondContact CD1-O 3.2Å; V392-L394 HydrophobicContact CG1-CG 4.4Å; V392-L394 PolarHBondContact O-N 3.2Å; L394-S396 PolarHBondContact O-N 2.95Å; L394-V397 HydrophobicContact CD2-CG2 4.47Å; L394-V397 WeakPolarHBondContact O-CB 3.18Å; L394-V397 WeakPolarHBondContact O-CG2 3.47Å; L394-V397 PolarHBondContact O-N 3.35Å; L394-L406 HydrophobicContact CD2-CD1 4.46Å; L394-E411 HydrophobicContact CD2-CB 4.4Å; L394-L415 HydrophobicContact CD1-CD1 3.98Å; L394-L415 HydrophobicContact CD2-CD1 3.55Å; L394-L415 HydrophobicContact CG-CD1 3.95Å
395W84.7Confident88.8Confident147 Ų14761.9 Ų61.956%0.55731%0.309SS*.G310 helixtrans-66.7-15.8175.161.579.9000114.5P393 V397P393-W395 HydrophobicContact CB-CD2 4.21Å; P393-W395 HydrophobicContact CB-CH2 4.01Å; P393-W395 HydrophobicContact CB-CZ2 3.52Å; P393-W395 PolarHBondContact O-N 3.42Å; W395-V397 VanDerWaalsContact C-N 3.3Å
396S86.2Confident88.4Confident55 Ų5561.3 Ų61.339%0.38531%0.305SS..G310 helixtrans-82.3-10175.460.80000113.5P393 L394 Q398 E411P393-S396 PolarHBondContact O-N 3.27Å; P393-S396 PolarHBondContact O-OG 3.49Å; L394-S396 PolarHBondContact O-N 2.95Å; S396-Q398 PolarHBondContact O-N 3.3Å; S396-E411 PolarHBondContact OG-OE1 3.39Å
397V86.8Confident88Confident2 Ų264 Ų641%0.01232%0.317CS..  trans-70.4124.2-177.5178.10000109.9I295 L394 W395 F404 E411I295-V397 HydrophobicContact CG2-CG1 4.39Å; L394-V397 HydrophobicContact CD2-CG2 4.47Å; L394-V397 WeakPolarHBondContact O-CB 3.18Å; L394-V397 WeakPolarHBondContact O-CG2 3.47Å; L394-V397 PolarHBondContact O-N 3.35Å; W395-V397 VanDerWaalsContact C-N 3.3Å; V397-F404 HydrophobicContact CG1-CD2 4.46Å; V397-F404 HydrophobicContact CG1-CE2 3.28Å; V397-F404 HydrophobicContact CG1-CZ 3.52Å; V397-E411 HydrophobicContact CG2-CB 3.83Å; V397-E411 HydrophobicContact CG2-CG 3.73Å
398Q83.2Confident87.6Confident150 Ų15064.4 Ų64.470%0.70133%0.325SS*.  trans-128.7138.7172.9-66.5177.1-6.600108.1S396 H409S396-Q398 PolarHBondContact O-N 3.3Å; Q398-H409 PolarHBondContact O-CE1 3.36Å; Q398-H409 VanDerWaalsContact O-CE1 3.23Å
399S82.2Confident87.2Confident24 Ų2464 Ų6417%0.16832%0.319CS..  trans-137.3130.5175-169.20000111.5S294 S401S294-S399 PolarHBondContact O-N 2.6Å; S399-S401 VanDerWaalsContact C-N 3.32Å; S399-S401 PolarHBondContact OG-N 2.92Å; S399-S401 PolarHBondContact OG-OG 2.69Å
400E78.9Confident87.1Confident208 Ų20871.7 Ų71.797%0.97236%0.355SS*.  trans-84.2-10.2171.5-61.9-177.2174.100112.2
401S79.7Confident87Confident53 Ų5373.3 Ų73.337%0.37136%0.362SS..SBendtrans-74.7144.7179.464.90000111.8S399 H403S399-S401 VanDerWaalsContact C-N 3.32Å; S399-S401 PolarHBondContact OG-N 2.92Å; S399-S401 PolarHBondContact OG-OG 2.69Å; S401-H403 VanDerWaalsContact C-N 3.26Å; S401-H403 WeakPolarHBondContact CB-O 3.34Å; S401-H403 PolarHBondContact O-N 3.05Å; S401-H403 PolarHBondContact OG-O 3.28Å
402K80.2Confident86.9Confident155 Ų15568.9 Ų68.967%0.67434%0.339SS*.SBendtrans-61.6-35.3174.3-171.9179.2178.8-174.50112.4G296 D297G296-K402 CarbonylContact C-O 3.52Å; D297-K402 PolarHBondContact N-O 2.63Å
403H80.8Confident86.8Confident117 Ų11774.4 Ų74.454%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-109.8122.7175.5-65.9-61.3000109.5S401S401-H403 VanDerWaalsContact C-N 3.26Å; S401-H403 WeakPolarHBondContact CB-O 3.34Å; S401-H403 PolarHBondContact O-N 3.05Å; S401-H403 PolarHBondContact OG-O 3.28Å
404F85.7Confident87Confident3 Ų375.6 Ų75.61%0.01337%0.366CS..EExtended strand (participates in β ladder)trans-84.1120.3179.2177.9-98.4000110.8L286 I295 D297 V397 L406 H409L286-F404 HydrophobicContact CD1-CD1 4.14Å; L286-F404 HydrophobicContact CD1-CE1 3.66Å; L286-F404 HydrophobicContact CD2-CE1 3.97Å; L286-F404 HydrophobicContact CD2-CZ 4.16Å; L286-F404 HydrophobicContact CG-CE1 4.47Å; I295-F404 HydrophobicContact CB-CD2 4.13Å; I295-F404 HydrophobicContact CB-CG 4.47Å; I295-F404 HydrophobicContact CD1-CG 4.45Å; I295-F404 HydrophobicContact CG2-CD2 4.05Å; I295-F404 HydrophobicContact CG2-CE2 4.24Å; D297-F404 PolarHBondContact O-N 2.9Å; V397-F404 HydrophobicContact CG1-CD2 4.46Å; V397-F404 HydrophobicContact CG1-CE2 3.28Å; V397-F404 HydrophobicContact CG1-CZ 3.52Å; F404-L406 HydrophobicContact CE1-CB 4Å; F404-L406 HydrophobicContact CE1-CD1 4.07Å; F404-L406 HydrophobicContact CZ-CD1 4.25Å; F404-H409 AromaticContact CD2-NE2 3.96Å; F404-H409 AromaticContact CE2-CD2 3.4Å; F404-H409 WeakPolarHBondContact CE2-CD2 3.18Å; F404-H409 AromaticContact CE2-NE2 3.36Å; F404-H409 WeakPolarHBondContact CE2-NE2 3.49Å; F404-H409 AromaticContact CZ-CD2 3.78Å
405E86.3Confident87.4Confident109 Ų10975.5 Ų75.551%0.50937%0.366SS..  trans-108.1105177.5-67.5179.9175.800110.4F407 S408 H409E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 PolarHBondContact O-N 2.74Å; E405-S408 WeakPolarHBondContact O-CB 3.37Å; E405-S408 PolarHBondContact O-N 3.29Å; E405-S408 VanDerWaalsContact O-N 3.17Å; E405-S408 PolarHBondContact OE2-OG 3.49Å; E405-H409 PolarHBondContact O-CD2 2.77Å
406L88.1Confident87.9Confident2 Ų269.4 Ų69.41%0.0135%0.346CS..G310 helixtrans-55.2-45.4-173.2179.263.7000113.1V282 L286 I303 L306 L394 F404 S408 H409 G412V282-L406 HydrophobicContact CG1-CD1 4.41Å; V282-L406 HydrophobicContact CG1-CD2 4.06Å; L286-L406 HydrophobicContact CD1-CD1 4.46Å; I303-L406 HydrophobicContact CG1-CD2 4.31Å; L306-L406 HydrophobicContact CD1-CD2 4.07Å; L394-L406 HydrophobicContact CD2-CD1 4.46Å; F404-L406 HydrophobicContact CE1-CB 4Å; F404-L406 HydrophobicContact CE1-CD1 4.07Å; F404-L406 HydrophobicContact CZ-CD1 4.25Å; L406-S408 VanDerWaalsContact C-N 3.25Å; L406-S408 PolarHBondContact O-N 2.98Å; L406-H409 PolarHBondContact O-N 3.05Å; L406-G412 WeakPolarHBondContact O-CA 3.43Å
407F90.9Very high88.4Confident58 Ų5871.4 Ų71.425%0.25435%0.352SS..G310 helixtrans-78.2-6.8-173.8-59.3-56.3000114.5D302 W305 L306 E405 H409 K413 A416D302-F407 HydrophobicContact CB-CE2 4.4Å; D302-F407 WeakPolarHBondContact O-CE2 3.09Å; D302-F407 WeakPolarHBondContact O-CZ 3.39Å; W305-F407 HydrophobicContact CB-CE2 3.88Å; W305-F407 HydrophobicContact CB-CZ 3.83Å; W305-F407 HydrophobicContact CG-CE2 4.32Å; L306-F407 HydrophobicContact CD2-CE1 4.03Å; L306-F407 HydrophobicContact CD2-CZ 4.27Å; E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 PolarHBondContact O-N 2.74Å; F407-H409 VanDerWaalsContact C-N 3.31Å; F407-K413 WeakPolarHBondContact O-CE 3.41Å; F407-K413 WeakPolarHBondContact O-CG 3.18Å; F407-A416 HydrophobicContact CD1-CB 4.15Å; F407-A416 HydrophobicContact CE1-CB 3.84Å
408S87.8Confident88.9Confident70 Ų7071.4 Ų71.449%0.4935%0.352SS..G310 helixtrans-73.8-28.8171.8-67.60000110.8E405 L406E405-S408 WeakPolarHBondContact O-CB 3.37Å; E405-S408 PolarHBondContact O-N 3.29Å; E405-S408 VanDerWaalsContact O-N 3.17Å; E405-S408 PolarHBondContact OE2-OG 3.49Å; L406-S408 VanDerWaalsContact C-N 3.25Å; L406-S408 PolarHBondContact O-N 2.98Å
409H89.7Confident89.6Confident42 Ų4264.2 Ų64.219%0.19432%0.319CS..SBendtrans-84.6154.1177.5-64.2-86.5000113.4Q398 F404 E405 L406 F407 E411 G412 K413Q398-H409 PolarHBondContact O-CE1 3.36Å; Q398-H409 VanDerWaalsContact O-CE1 3.23Å; F404-H409 AromaticContact CD2-NE2 3.96Å; F404-H409 AromaticContact CE2-CD2 3.4Å; F404-H409 WeakPolarHBondContact CE2-CD2 3.18Å; F404-H409 AromaticContact CE2-NE2 3.36Å; F404-H409 WeakPolarHBondContact CE2-NE2 3.49Å; F404-H409 AromaticContact CZ-CD2 3.78Å; E405-H409 PolarHBondContact O-CD2 2.77Å; L406-H409 PolarHBondContact O-N 3.05Å; F407-H409 VanDerWaalsContact C-N 3.31Å; H409-E411 VanDerWaalsContact C-N 3.31Å; H409-E411 PolarHBondContact O-N 3.42Å; H409-G412 PolarHBondContact O-N 3.06Å; H409-K413 WeakPolarHBondContact O-CG 3.22Å; H409-K413 PolarHBondContact O-N 3.45Å
410Q93.1Very high90.3Very high163 Ų16365.3 Ų65.376%0.76232%0.321SS*.Hα-helixtrans-66.6-35.3-178.7-179173-20.800111.8K413 L414Q410-K413 PolarHBondContact O-N 3.21Å; Q410-L414 WeakPolarHBondContact O-CB 3.25Å; Q410-L414 PolarHBondContact O-N 3.4Å
411E92.4Very high91.2Very high35 Ų3559 Ų5916%0.16429%0.29CS..Hα-helixtrans-62.8-45.1177.3-61.284.9167.500110.8V392 L394 S396 V397 H409 K413 L414 L415V392-E411 HydrophobicContact CG1-CB 3.83Å; V392-E411 HydrophobicContact CG1-CG 4.32Å; L394-E411 HydrophobicContact CD2-CB 4.4Å; S396-E411 PolarHBondContact OG-OE1 3.39Å; V397-E411 HydrophobicContact CG2-CB 3.83Å; V397-E411 HydrophobicContact CG2-CG 3.73Å; H409-E411 VanDerWaalsContact C-N 3.31Å; H409-E411 PolarHBondContact O-N 3.42Å; E411-K413 PolarHBondContact O-N 2.91Å; E411-L414 PolarHBondContact O-N 3.44Å; E411-L415 WeakPolarHBondContact O-CG 3.39Å; E411-L415 PolarHBondContact O-N 2.96Å
412G93.1Very high92.1Very high0 Ų056.4 Ų56.40%027%0.272CS..Hα-helixtrans-64.1-39.2175.500000113L406 H409 L415 A416L406-G412 WeakPolarHBondContact O-CA 3.43Å; H409-G412 PolarHBondContact O-N 3.06Å; G412-L415 PolarHBondContact O-N 3.38Å; G412-A416 WeakPolarHBondContact O-CB 3.49Å; G412-A416 PolarHBondContact O-N 2.91Å
413K94.5Very high92.9Very high121 Ų12149 Ų4953%0.52624%0.24SC..Hα-helixtrans-64.8-40.7174-66.3173.3-168.9173.40112F407 H409 Q410 E411 A416 L417F407-K413 WeakPolarHBondContact O-CE 3.41Å; F407-K413 WeakPolarHBondContact O-CG 3.18Å; H409-K413 WeakPolarHBondContact O-CG 3.22Å; H409-K413 PolarHBondContact O-N 3.45Å; Q410-K413 PolarHBondContact O-N 3.21Å; E411-K413 PolarHBondContact O-N 2.91Å; K413-A416 PolarHBondContact O-N 3Å; K413-L417 PolarHBondContact O-N 3.4Å
414L95.7Very high93.8Very high72 Ų7244 Ų4438%0.37722%0.217SC..Hα-helixtrans-66-41.9176.8-176.461.2000111.6T388 V392 Q410 E411 L417 A418T388-L414 HydrophobicContact CG2-CD1 4.07Å; T388-L414 HydrophobicContact CG2-CD2 4.41Å; T388-L414 HydrophobicContact CG2-CG 4.15Å; V392-L414 HydrophobicContact CG2-CD2 3.87Å; V392-L414 HydrophobicContact CG2-CG 4Å; Q410-L414 WeakPolarHBondContact O-CB 3.25Å; Q410-L414 PolarHBondContact O-N 3.4Å; E411-L414 PolarHBondContact O-N 3.44Å; L414-L417 PolarHBondContact O-N 2.98Å; L414-A418 VanDerWaalsContact O-CB 3.32Å; L414-A418 WeakPolarHBondContact O-CB 3.33Å; L414-A418 PolarHBondContact O-N 2.87Å
415L95.6Very high94.3Very high0 Ų043.9 Ų43.90%022%0.217CC..Hα-helixtrans-60.4-46172.8-75.6165.5000111.7V282 L306 L389 V392 L394 E411 G412 L417 A418 C419V282-L415 HydrophobicContact CG2-CD1 4.03Å; L306-L415 HydrophobicContact CD2-CB 4.1Å; L389-L415 HydrophobicContact CD2-CD2 3.72Å; V392-L415 HydrophobicContact CB-CD2 4Å; V392-L415 HydrophobicContact CB-CG 4.17Å; V392-L415 HydrophobicContact CG1-CD1 4.32Å; V392-L415 HydrophobicContact CG1-CD2 4.38Å; V392-L415 HydrophobicContact CG1-CG 4Å; V392-L415 HydrophobicContact CG2-CD2 3.74Å; V392-L415 HydrophobicContact CG2-CG 3.97Å; L394-L415 HydrophobicContact CD1-CD1 3.98Å; L394-L415 HydrophobicContact CD2-CD1 3.55Å; L394-L415 HydrophobicContact CG-CD1 3.95Å; E411-L415 WeakPolarHBondContact O-CG 3.39Å; E411-L415 PolarHBondContact O-N 2.96Å; G412-L415 PolarHBondContact O-N 3.38Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L415-L417 PolarHBondContact O-N 3.41Å; L415-A418 PolarHBondContact O-N 3.4Å; L415-C419 WeakPolarHBondContact O-CB 3.33Å; L415-C419 PolarHBondContact O-N 2.81Å; L415-C419 PolarHBondContact O-SG 2.9Å; L415-C419 VanDerWaalsContact O-SG 3.33Å
416A95.3Very high94.8Very high18 Ų1838.8 Ų38.815%0.14919%0.193CC..Hα-helixtrans-57.3-47.5177.500000111.8L309 F407 G412 K413 C419 F420L309-A416 HydrophobicContact CD1-CB 3.61Å; F407-A416 HydrophobicContact CD1-CB 4.15Å; F407-A416 HydrophobicContact CE1-CB 3.84Å; G412-A416 WeakPolarHBondContact O-CB 3.49Å; G412-A416 PolarHBondContact O-N 2.91Å; K413-A416 PolarHBondContact O-N 3Å; A416-C419 PolarHBondContact O-N 3.37Å; A416-F420 PolarHBondContact O-N 3.47Å
417L97Very high95.3Very high97 Ų9738.7 Ų38.751%0.50819%0.192SC..Hα-helixtrans-63.2-47.4177.4-172.5154.1000111K413 L414 L415 C419 F420 F421K413-L417 PolarHBondContact O-N 3.4Å; L414-L417 PolarHBondContact O-N 2.98Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L415-L417 PolarHBondContact O-N 3.41Å; L417-C419 PolarHBondContact O-N 3.39Å; L417-F420 PolarHBondContact O-N 3.4Å; L417-F421 HydrophobicContact CD2-CD2 3.5Å; L417-F421 VanDerWaalsContact CD2-CD2 3.5Å; L417-F421 HydrophobicContact CD2-CE2 3.69Å; L417-F421 HydrophobicContact CG-CD2 3.98Å; L417-F421 HydrophobicContact CG-CE2 3.95Å; L417-F421 WeakPolarHBondContact O-CD2 3.32Å; L417-F421 PolarHBondContact O-N 2.87Å
418A97.4Very high95.5Very high2 Ų235.9 Ų35.92%0.01718%0.18CC..Hα-helixtrans-62.1-41.7179.400000112.1T388 L389 L414 L415 F420 F421 V422T388-A418 HydrophobicContact CG2-CB 4.02Å; L389-A418 HydrophobicContact CD2-CB 3.52Å; L389-A418 HydrophobicContact CG-CB 3.85Å; L414-A418 VanDerWaalsContact O-CB 3.32Å; L414-A418 WeakPolarHBondContact O-CB 3.33Å; L414-A418 PolarHBondContact O-N 2.87Å; L415-A418 PolarHBondContact O-N 3.4Å; A418-F420 PolarHBondContact O-N 3.39Å; A418-F421 PolarHBondContact O-N 3.18Å; A418-V422 WeakPolarHBondContact O-CB 3.28Å; A418-V422 WeakPolarHBondContact O-CG2 3.32Å; A418-V422 PolarHBondContact O-N 2.85Å
419C97Very high96Very high0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-57.7-47.5172.9-780000111.9L309 I310 L415 A416 L417 F421 V422 G423L309-C419 HydrophobicContact CB-CB 4.09Å; I310-C419 WeakPolarHBondContact CA-O 3.25Å; I310-C419 HydrophobicContact CD1-CB 4.5Å; I310-C419 HydrophobicContact CG1-CB 3.7Å; I310-C419 WeakPolarHBondContact CG1-O 3.42Å; L415-C419 WeakPolarHBondContact O-CB 3.33Å; L415-C419 PolarHBondContact O-N 2.81Å; L415-C419 PolarHBondContact O-SG 2.9Å; L415-C419 VanDerWaalsContact O-SG 3.33Å; A416-C419 PolarHBondContact O-N 3.37Å; L417-C419 PolarHBondContact O-N 3.39Å; C419-F421 PolarHBondContact O-N 2.55Å; C419-V422 PolarHBondContact O-N 2.62Å; C419-G423 PolarHBondContact O-N 3.41Å
420F97.3Very high96.2Very high47 Ų4735 Ų3521%0.20617%0.166CC..Hα-helixtrans-59.3-45.7177.6178.3-108.7000112.2F312 G313 F316 A416 L417 A418 G423 I424F312-F420 AromaticContact CD1-CD2 3.8Å; F312-F420 HydrophobicContact CD1-CD2 3.8Å; F312-F420 AromaticContact CD1-CE2 3.48Å; F312-F420 HydrophobicContact CD1-CE2 3.48Å; F312-F420 VanDerWaalsContact CD1-CE2 3.48Å; F312-F420 HydrophobicContact CE1-CD2 4.45Å; F312-F420 AromaticContact CE1-CE2 3.78Å; F312-F420 HydrophobicContact CE1-CE2 3.78Å; F312-F420 HydrophobicContact CG-CE2 4.43Å; G313-F420 WeakPolarHBondContact CA-O 3.1Å; F316-F420 HydrophobicContact CB-CE2 4.41Å; F316-F420 HydrophobicContact CB-CZ 4.35Å; F316-F420 HydrophobicContact CG-CZ 4.34Å; A416-F420 PolarHBondContact O-N 3.47Å; L417-F420 PolarHBondContact O-N 3.4Å; A418-F420 PolarHBondContact O-N 3.39Å; F420-G423 WeakPolarHBondContact O-CA 3.34Å; F420-G423 PolarHBondContact O-N 3.46Å; F420-I424 HydrophobicContact CD1-CD1 3.94Å; F420-I424 HydrophobicContact CE1-CD1 3.39Å; F420-I424 HydrophobicContact CE1-CG1 4.28Å; F420-I424 HydrophobicContact CE2-CD1 4.5Å; F420-I424 HydrophobicContact CZ-CD1 3.72Å; F420-I424 HydrophobicContact CZ-CG1 4.29Å; F420-I424 PolarHBondContact O-N 2.92Å
421F98.1Very high96.4Very high74 Ų7427.3 Ų27.333%0.32513%0.13SC..Hα-helixtrans-73.2-32.1178.8-81.9-84.6000113.8L381 C385 L417 A418 C419 G423 I424 S425L381-F421 HydrophobicContact CD1-CD1 4.39Å; C385-F421 HydrophobicContact CB-CB 4.21Å; C385-F421 WeakPolarHBondContact SG-CB 3.41Å; L417-F421 HydrophobicContact CD2-CD2 3.5Å; L417-F421 VanDerWaalsContact CD2-CD2 3.5Å; L417-F421 HydrophobicContact CD2-CE2 3.69Å; L417-F421 HydrophobicContact CG-CD2 3.98Å; L417-F421 HydrophobicContact CG-CE2 3.95Å; L417-F421 WeakPolarHBondContact O-CD2 3.32Å; L417-F421 PolarHBondContact O-N 2.87Å; A418-F421 PolarHBondContact O-N 3.18Å; C419-F421 PolarHBondContact O-N 2.55Å; F421-G423 VanDerWaalsContact C-N 3.26Å; F421-G423 PolarHBondContact O-N 3.32Å; F421-I424 HydrophobicContact CD1-CD1 4.18Å; F421-I424 HydrophobicContact CE1-CD1 4.35Å; F421-I424 PolarHBondContact O-N 3.33Å; F421-S425 WeakPolarHBondContact O-CB 3.21Å; F421-S425 PolarHBondContact O-N 3.24Å; F421-S425 PolarHBondContact O-OG 3.38Å
422V98.1Very high96.5Very high0 Ų025.6 Ų25.60%012%0.122CC..Hα-helixtrans-57-46.1166.4166.80000109.3P274 I310 C385 L389 A418 C419 I424 S425 N426P274-V422 HydrophobicContact CB-CG1 4.44Å; I310-V422 HydrophobicContact CG2-CG1 4.35Å; C385-V422 HydrophobicContact CB-CG2 3.63Å; L389-V422 HydrophobicContact CD1-CG2 3.85Å; A418-V422 WeakPolarHBondContact O-CB 3.28Å; A418-V422 WeakPolarHBondContact O-CG2 3.32Å; A418-V422 PolarHBondContact O-N 2.85Å; C419-V422 PolarHBondContact O-N 2.62Å; V422-I424 PolarHBondContact O-N 3.28Å; V422-S425 PolarHBondContact O-N 3.21Å; V422-S425 PolarHBondContact O-OG 3.28Å; V422-N426 VanDerWaalsContact O-CG 3.22Å; V422-N426 PolarHBondContact O-N 3.27Å; V422-N426 PolarHBondContact O-OD1 3.42Å
423G97.6Very high96.6Very high0 Ų025.9 Ų25.90%012%0.123CC..Hα-helixtrans-53.4-52.9172.100000112.9I310 G313 L314 C419 F420 F421 S425 N426 G427I310-G423 VanDerWaalsContact O-CA 3.22Å; I310-G423 WeakPolarHBondContact O-CA 3.43Å; G313-G423 CarbonylContact O-C 3.2Å; L314-G423 VanDerWaalsContact CA-O 3.25Å; L314-G423 WeakPolarHBondContact CA-O 3.24Å; L314-G423 VanDerWaalsContact N-C 3.31Å; L314-G423 PolarHBondContact N-O 3.37Å; C419-G423 PolarHBondContact O-N 3.41Å; F420-G423 WeakPolarHBondContact O-CA 3.34Å; F420-G423 PolarHBondContact O-N 3.46Å; F421-G423 VanDerWaalsContact C-N 3.26Å; F421-G423 PolarHBondContact O-N 3.32Å; G423-S425 VanDerWaalsContact C-N 3.3Å; G423-S425 PolarHBondContact O-N 3Å; G423-N426 WeakPolarHBondContact O-CB 3.26Å; G423-N426 PolarHBondContact O-N 3.35Å; G423-G427 PolarHBondContact O-N 3.12Å
424I98.1Very high96.6Very high12 Ų1220.1 Ų20.16%0.06210%0.098CC..Hα-helixtrans-56.2-46.5178.9-70176.7000111G313 F316 Y321 L381 F420 F421 V422 G427 G428G313-I424 VanDerWaalsContact C-N 3.34Å; G313-I424 VanDerWaalsContact O-CA 3.27Å; G313-I424 WeakPolarHBondContact O-CA 3Å; G313-I424 WeakPolarHBondContact O-CG1 3.06Å; G313-I424 PolarHBondContact O-N 3.17Å; F316-I424 HydrophobicContact CB-CG1 4.47Å; F316-I424 HydrophobicContact CD1-CD1 3.75Å; F316-I424 HydrophobicContact CD1-CG1 3.98Å; F316-I424 HydrophobicContact CE1-CD1 4.27Å; Y321-I424 HydrophobicContact CE2-CG2 4.13Å; Y321-I424 WeakPolarHBondContact CE2-O 3.36Å; L381-I424 HydrophobicContact CD2-CG2 4.44Å; F420-I424 HydrophobicContact CD1-CD1 3.94Å; F420-I424 HydrophobicContact CE1-CD1 3.39Å; F420-I424 HydrophobicContact CE1-CG1 4.28Å; F420-I424 HydrophobicContact CE2-CD1 4.5Å; F420-I424 HydrophobicContact CZ-CD1 3.72Å; F420-I424 HydrophobicContact CZ-CG1 4.29Å; F420-I424 PolarHBondContact O-N 2.92Å; F421-I424 HydrophobicContact CD1-CD1 4.18Å; F421-I424 HydrophobicContact CE1-CD1 4.35Å; F421-I424 PolarHBondContact O-N 3.33Å; V422-I424 PolarHBondContact O-N 3.28Å; I424-G427 PolarHBondContact O-N 3.21Å; I424-G428 PolarHBondContact O-N 3.07Å
425S97.8Very high96.6Very high0 Ų016.8 Ų16.80%08%0.08CC..Hα-helixtrans-64-42-179.972.70000112T378 N382 F421 V422 G423 G427 G428 L429T378-S425 WeakPolarHBondContact CG2-O 3.3Å; N382-S425 WeakPolarHBondContact CA-OG 3.28Å; N382-S425 WeakPolarHBondContact CB-OG 3.47Å; N382-S425 PolarHBondContact ND2-OG 3.25Å; F421-S425 WeakPolarHBondContact O-CB 3.21Å; F421-S425 PolarHBondContact O-N 3.24Å; F421-S425 PolarHBondContact O-OG 3.38Å; V422-S425 PolarHBondContact O-N 3.21Å; V422-S425 PolarHBondContact O-OG 3.28Å; G423-S425 VanDerWaalsContact C-N 3.3Å; G423-S425 PolarHBondContact O-N 3Å; S425-G427 VanDerWaalsContact C-N 3.31Å; S425-G427 PolarHBondContact O-N 3.34Å; S425-G428 PolarHBondContact O-N 3.03Å; S425-L429 WeakPolarHBondContact O-CG 3.48Å; S425-L429 PolarHBondContact O-N 3.09Å; S425-L429 VanDerWaalsContact O-N 3.08Å
426N97Very high96.5Very high1 Ų116.8 Ų16.81%0.0058%0.08CC..Hα-helixtrans-60-43.2173.1-67.7-6000110.9V271 L314 N382 V422 G423 G428 L429 Y430V271-N426 HydrophobicContact CG1-CB 4.48Å; V271-N426 VanDerWaalsContact CG1-CG 3.49Å; V271-N426 WeakPolarHBondContact CG1-ND2 3.11Å; V271-N426 VanDerWaalsContact CG1-OD1 3.26Å; V271-N426 WeakPolarHBondContact CG1-OD1 3.26Å; L314-N426 HydrophobicContact CD1-CB 3.84Å; N382-N426 PolarHBondContact ND2-OD1 2.97Å; V422-N426 VanDerWaalsContact O-CG 3.22Å; V422-N426 PolarHBondContact O-N 3.27Å; V422-N426 PolarHBondContact O-OD1 3.42Å; G423-N426 WeakPolarHBondContact O-CB 3.26Å; G423-N426 PolarHBondContact O-N 3.35Å; N426-G428 VanDerWaalsContact C-N 3.26Å; N426-G428 PolarHBondContact O-N 3.11Å; N426-L429 WeakPolarHBondContact O-CB 3.39Å; N426-L429 PolarHBondContact O-N 2.65Å; N426-Y430 WeakPolarHBondContact O-CD2 3.36Å; N426-Y430 PolarHBondContact O-N 2.82Å
427G97Very high96.6Very high0 Ų015.9 Ų15.90%07%0.073CC..Hα-helixtrans-57.6-41.1177.700000112.2G423 I424 S425 Y430 V431G423-G427 PolarHBondContact O-N 3.12Å; I424-G427 PolarHBondContact O-N 3.21Å; S425-G427 VanDerWaalsContact C-N 3.31Å; S425-G427 PolarHBondContact O-N 3.34Å; G427-Y430 PolarHBondContact O-N 2.84Å; G427-V431 WeakPolarHBondContact O-CG2 3.4Å; G427-V431 PolarHBondContact O-N 3.31Å
428G96.8Very high96.5Very high0 Ų012 Ų120%05%0.053CC..Hα-helixtrans-61-45.7171.900000113.3Y321 I424 S425 N426 Y430 V431 M432Y321-G428 VanDerWaalsContact CE2-CA 3.46Å; I424-G428 PolarHBondContact O-N 3.07Å; S425-G428 PolarHBondContact O-N 3.03Å; N426-G428 VanDerWaalsContact C-N 3.26Å; N426-G428 PolarHBondContact O-N 3.11Å; G428-Y430 VanDerWaalsContact C-N 3.32Å; G428-Y430 PolarHBondContact O-N 3.14Å; G428-V431 PolarHBondContact O-N 3.07Å; G428-M432 WeakPolarHBondContact O-CB 3.32Å; G428-M432 VanDerWaalsContact O-CG 3.24Å; G428-M432 WeakPolarHBondContact O-CG 3.4Å; G428-M432 PolarHBondContact O-N 3.21Å
429L96.6Very high96.2Very high15 Ų1513.9 Ų13.98%0.0796%0.063CC..Hα-helixtrans-60.8-40.4177.7-64174.8000112V271 F375 T378 L379 S425 N426 F433V271-L429 HydrophobicContact CG2-CD1 3.68Å; F375-L429 HydrophobicContact CD2-CD2 3.82Å; F375-L429 HydrophobicContact CE2-CD2 3.55Å; T378-L429 HydrophobicContact CG2-CD2 3.96Å; T378-L429 HydrophobicContact CG2-CG 3.88Å; L379-L429 HydrophobicContact CD2-CD2 3.94Å; L379-L429 HydrophobicContact CG-CD2 4.35Å; S425-L429 WeakPolarHBondContact O-CG 3.48Å; S425-L429 PolarHBondContact O-N 3.09Å; S425-L429 VanDerWaalsContact O-N 3.08Å; N426-L429 WeakPolarHBondContact O-CB 3.39Å; N426-L429 PolarHBondContact O-N 2.65Å; L429-F433 PolarHBondContact O-N 3.09Å
430Y94.8Very high96.1Very high79 Ų7914.8 Ų14.831%0.317%0.067SC..Hα-helixtrans-67.2-36.6175.9-79.9-74.4000113.1L314 N426 G427 G428 F433 P434L314-Y430 HydrophobicContact CD1-CD2 3.78Å; L314-Y430 HydrophobicContact CD1-CE2 4.14Å; N426-Y430 WeakPolarHBondContact O-CD2 3.36Å; N426-Y430 PolarHBondContact O-N 2.82Å; G427-Y430 PolarHBondContact O-N 2.84Å; G428-Y430 VanDerWaalsContact C-N 3.32Å; G428-Y430 PolarHBondContact O-N 3.14Å; Y430-F433 HydrophobicContact CD1-CE1 4.19Å; Y430-F433 WeakPolarHBondContact O-CD1 3.47Å; Y430-F433 WeakPolarHBondContact O-CE1 3.19Å; Y430-P434 WeakPolarHBondContact O-CD 3.24Å
431V96.4Very high96Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-79.3-28.5178.7174.30000112.3I82 Q318 G427 G428 Q435I82-V431 HydrophobicContact CG2-CG1 4.37Å; Q318-V431 HydrophobicContact CB-CG2 4Å; Q318-V431 HydrophobicContact CG-CG2 3.98Å; G427-V431 WeakPolarHBondContact O-CG2 3.4Å; G427-V431 PolarHBondContact O-N 3.31Å; G428-V431 PolarHBondContact O-N 3.07Å; V431-Q435 PolarHBondContact O-NE2 3.43Å
432M95.1Very high95.7Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-77.1-32-177.7-75.4-47.897.900113.4Y321 T325 I374 F375 G428 Q435 L436Y321-M432 HydrophobicContact CD1-CE 4.32Å; T325-M432 HydrophobicContact CG2-CE 3.23Å; T325-M432 HydrophobicContact CG2-SD 3.83Å; I374-M432 HydrophobicContact CB-SD 4.26Å; I374-M432 HydrophobicContact CG2-CE 4.29Å; I374-M432 HydrophobicContact CG2-CG 4.21Å; I374-M432 HydrophobicContact CG2-SD 3.73Å; F375-M432 HydrophobicContact CB-CG 4.35Å; F375-M432 HydrophobicContact CD2-CB 4.36Å; G428-M432 WeakPolarHBondContact O-CB 3.32Å; G428-M432 VanDerWaalsContact O-CG 3.24Å; G428-M432 WeakPolarHBondContact O-CG 3.4Å; G428-M432 PolarHBondContact O-N 3.21Å; M432-Q435 PolarHBondContact O-N 3.22Å; M432-L436 HydrophobicContact CB-CD1 4.23Å; M432-L436 WeakPolarHBondContact O-CB 3.18Å; M432-L436 PolarHBondContact O-N 2.92Å
433F95.2Very high95.2Very high5 Ų515 Ų152%0.0228%0.084CC..Hα-helixtrans-65.5-40.1-172.584.1-96.5000115.2Y61 L65 Y260 L429 Y430 Q435 I437 L450 F453Y61-F433 VanDerWaalsContact OH-CZ 3.24Å; Y61-F433 WeakPolarHBondContact OH-CZ 3.21Å; L65-F433 HydrophobicContact CD2-CE2 3.85Å; L65-F433 HydrophobicContact CD2-CZ 3.66Å; Y260-F433 WeakPolarHBondContact OH-CA 3.36Å; Y260-F433 WeakPolarHBondContact OH-CB 3Å; L429-F433 PolarHBondContact O-N 3.09Å; Y430-F433 HydrophobicContact CD1-CE1 4.19Å; Y430-F433 WeakPolarHBondContact O-CD1 3.47Å; Y430-F433 WeakPolarHBondContact O-CE1 3.19Å; F433-Q435 VanDerWaalsContact C-N 3.28Å; F433-Q435 PolarHBondContact O-N 2.85Å; F433-I437 HydrophobicContact CD2-CD1 4.01Å; F433-I437 WeakPolarHBondContact O-CB 3.48Å; F433-I437 WeakPolarHBondContact O-CD1 3.27Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.4Å; F433-L450 HydrophobicContact CD2-CD1 4.12Å; F433-L450 HydrophobicContact CE2-CD1 3.52Å; F433-F453 HydrophobicContact CB-CE1 3.66Å; F433-F453 HydrophobicContact CB-CE2 3.88Å; F433-F453 HydrophobicContact CB-CZ 3.26Å; F433-F453 HydrophobicContact CD1-CE1 4.15Å; F433-F453 HydrophobicContact CD1-CZ 4.36Å; F433-F453 AromaticContact CD2-CD1 3.9Å; F433-F453 HydrophobicContact CD2-CD1 3.9Å; F433-F453 AromaticContact CD2-CE1 3.5Å; F433-F453 HydrophobicContact CD2-CE1 3.5Å; F433-F453 VanDerWaalsContact CD2-CE1 3.5Å; F433-F453 HydrophobicContact CD2-CZ 4.05Å; F433-F453 HydrophobicContact CE2-CE1 4.28Å; F433-F453 HydrophobicContact CG-CD1 4.31Å; F433-F453 AromaticContact CG-CE1 3.46Å; F433-F453 HydrophobicContact CG-CE1 3.46Å; F433-F453 VanDerWaalsContact CG-CE1 3.46Å; F433-F453 AromaticContact CG-CZ 3.62Å; F433-F453 HydrophobicContact CG-CZ 3.62Å
434P94.9Very high94.8Very high0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-63.5-40.1175.8-22.336.2000111.4L65 I82 Y430 I438 W446L65-P434 HydrophobicContact CD1-CB 4.38Å; L65-P434 HydrophobicContact CD1-CG 3.97Å; L65-P434 HydrophobicContact CD2-CG 4.49Å; I82-P434 HydrophobicContact CD1-CB 4.13Å; I82-P434 HydrophobicContact CD1-CG 4.43Å; I82-P434 HydrophobicContact CG1-CB 4.42Å; I82-P434 HydrophobicContact CG2-CB 4.33Å; I82-P434 HydrophobicContact CG2-CG 3.82Å; Y430-P434 WeakPolarHBondContact O-CD 3.24Å; P434-I438 WeakPolarHBondContact O-CG1 3.33Å; P434-I438 PolarHBondContact O-N 2.89Å; P434-I438 VanDerWaalsContact O-N 3.16Å; P434-W446 VanDerWaalsContact CA-CH2 3.47Å; P434-W446 HydrophobicContact CB-CH2 3.57Å; P434-W446 HydrophobicContact CB-CZ2 4.29Å; P434-W446 HydrophobicContact CB-CZ3 4.2Å; P434-W446 HydrophobicContact CG-CH2 4.32Å
435Q94.3Very high94.6Very high2 Ų220 Ų201%0.00911%0.108CC..Hα-helixtrans-65-50.7-179.1-62.7-179.969.400111.5F78 T325 H371 V431 M432 F433 I438 D439F78-Q435 HydrophobicContact CD1-CG 3.95Å; F78-Q435 HydrophobicContact CE1-CB 4.33Å; F78-Q435 HydrophobicContact CE1-CG 3.63Å; T325-Q435 PolarHBondContact OG1-NE2 3.17Å; T325-Q435 PolarHBondContact OG1-OE1 2.83Å; H371-Q435 PolarHBondContact CE1-OE1 3.1Å; H371-Q435 PolarHBondContact ND1-OE1 3.11Å; V431-Q435 PolarHBondContact O-NE2 3.43Å; M432-Q435 PolarHBondContact O-N 3.22Å; F433-Q435 VanDerWaalsContact C-N 3.28Å; F433-Q435 PolarHBondContact O-N 2.85Å; Q435-I438 PolarHBondContact O-N 3.25Å; Q435-D439 WeakPolarHBondContact O-CB 3.46Å; Q435-D439 VanDerWaalsContact O-CG 3.25Å; Q435-D439 PolarHBondContact O-N 3.34Å
436L95.2Very high94.4Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-67.7-38.1-178.6-79.3169.5000113Y260 Y368 H371 L372 F375 M432 D439 I440Y260-L436 HydrophobicContact CD2-CD1 4.16Å; Y260-L436 HydrophobicContact CE1-CB 4.03Å; Y260-L436 HydrophobicContact CE2-CB 4.05Å; Y260-L436 HydrophobicContact CE2-CD1 3.37Å; Y260-L436 HydrophobicContact CE2-CG 4.32Å; Y368-L436 HydrophobicContact CD2-CD2 4.17Å; Y368-L436 HydrophobicContact CE2-CD2 4.2Å; H371-L436 HydrophobicContact CB-CD2 3.77Å; H371-L436 HydrophobicContact CB-CG 4.15Å; L372-L436 HydrophobicContact CB-CD2 4.43Å; F375-L436 HydrophobicContact CB-CD1 3.7Å; F375-L436 HydrophobicContact CD1-CD1 4.36Å; F375-L436 HydrophobicContact CD2-CD1 4.17Å; F375-L436 HydrophobicContact CG-CD1 3.83Å; M432-L436 HydrophobicContact CB-CD1 4.23Å; M432-L436 WeakPolarHBondContact O-CB 3.18Å; M432-L436 PolarHBondContact O-N 2.92Å; L436-D439 PolarHBondContact O-N 3.36Å; L436-I440 HydrophobicContact CB-CD1 4.49Å; L436-I440 VanDerWaalsContact O-CB 3.3Å; L436-I440 WeakPolarHBondContact O-CB 3.32Å; L436-I440 VanDerWaalsContact O-CD1 3.28Å; L436-I440 WeakPolarHBondContact O-CD1 3.34Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 3.11Å
437I96.4Very high94.4Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-63-48.8176.1-65.7168.6000109.5Y260 F433 D439 I440 V441 W446 L450 F453Y260-I437 HydrophobicContact CD1-CG1 4.44Å; Y260-I437 HydrophobicContact CE1-CG1 4.01Å; F433-I437 HydrophobicContact CD2-CD1 4.01Å; F433-I437 WeakPolarHBondContact O-CB 3.48Å; F433-I437 WeakPolarHBondContact O-CD1 3.27Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.4Å; I437-D439 VanDerWaalsContact C-N 3.33Å; I437-D439 PolarHBondContact O-N 2.82Å; I437-I440 PolarHBondContact O-N 3.03Å; I437-I440 VanDerWaalsContact O-N 3.13Å; I437-V441 HydrophobicContact CG2-CG2 3.86Å; I437-V441 WeakPolarHBondContact O-CG2 3.2Å; I437-V441 PolarHBondContact O-N 2.93Å; I437-W446 HydrophobicContact CB-CE3 3.95Å; I437-W446 HydrophobicContact CB-CZ3 3.68Å; I437-W446 HydrophobicContact CD1-CZ3 4.02Å; I437-W446 HydrophobicContact CG1-CZ3 4.44Å; I437-W446 HydrophobicContact CG2-CE3 3.53Å; I437-W446 HydrophobicContact CG2-CZ3 3.7Å; I437-L450 HydrophobicContact CD1-CD1 4.47Å; I437-F453 HydrophobicContact CD1-CB 3.65Å; I437-F453 HydrophobicContact CD1-CD1 3.97Å; I437-F453 HydrophobicContact CD1-CD2 3.93Å; I437-F453 HydrophobicContact CD1-CG 3.58Å; I437-F453 HydrophobicContact CG1-CD2 4.43Å
438I94.4Very high94.3Very high15 Ų1521.3 Ų21.38%0.07712%0.115CC..Hα-helixtrans-59.2-44.3178.1-69.5177.7000111.2F78 P434 Q435 I440 G442 T443 W446F78-I438 HydrophobicContact CE1-CD1 4.02Å; F78-I438 HydrophobicContact CE2-CD1 4.34Å; F78-I438 HydrophobicContact CZ-CD1 3.54Å; P434-I438 WeakPolarHBondContact O-CG1 3.33Å; P434-I438 PolarHBondContact O-N 2.89Å; P434-I438 VanDerWaalsContact O-N 3.16Å; Q435-I438 PolarHBondContact O-N 3.25Å; I438-I440 VanDerWaalsContact C-N 3.25Å; I438-I440 PolarHBondContact O-N 3.31Å; I438-G442 WeakPolarHBondContact O-CA 3.19Å; I438-G442 PolarHBondContact O-N 3.45Å; I438-T443 HydrophobicContact CG2-CG2 4.1Å; I438-W446 HydrophobicContact CD1-CD2 4.09Å; I438-W446 HydrophobicContact CD1-CE3 4.18Å; I438-W446 HydrophobicContact CD1-CG 4.42Å; I438-W446 HydrophobicContact CG1-CB 4.33Å; I438-W446 HydrophobicContact CG1-CD2 3.75Å; I438-W446 HydrophobicContact CG1-CE3 3.49Å; I438-W446 VanDerWaalsContact CG1-CE3 3.49Å; I438-W446 HydrophobicContact CG1-CG 4.11Å; I438-W446 HydrophobicContact CG1-CZ3 4.14Å
439D92.7Very high94.3Very high41 Ų4121.3 Ų21.322%0.21912%0.115CC..Hα-helixtrans-66.7-26.2179.7-69.1-19.3000112.9K367 Y368 H371 Q435 L436 I437K367-D439 WeakPolarHBondContact CE-OD1 3.24Å; K367-D439 IonicContact NZ-OD1 3.83Å; K367-D439 PolarHBondContact NZ-OD1 3.3Å; Y368-D439 HydrophobicContact CD2-CB 4.36Å; H371-D439 IonicContact CD2-OD2 2.93Å; H371-D439 PolarHBondContact CD2-OD2 3.36Å; H371-D439 IonicContact CG-OD2 3.78Å; H371-D439 IonicContact NE2-OD2 3.66Å; Q435-D439 WeakPolarHBondContact O-CB 3.46Å; Q435-D439 VanDerWaalsContact O-CG 3.25Å; Q435-D439 PolarHBondContact O-N 3.34Å; L436-D439 PolarHBondContact O-N 3.36Å; I437-D439 VanDerWaalsContact C-N 3.33Å; I437-D439 PolarHBondContact O-N 2.82Å
440I94.1Very high94.4Very high20 Ų2020.6 Ų20.610%0.10311%0.111CC..Hα-helixtrans-88.7-47.3-179.6-68165.3000112.9N254 N256 F257 Y260 Y368 L436 I437 I438N254-I440 PolarHBondContact ND2-O 3.48Å; N256-I440 HydrophobicContact CB-CG1 4.35Å; N256-I440 HydrophobicContact CB-CG2 3.84Å; F257-I440 HydrophobicContact CB-CG2 3.7Å; Y260-I440 HydrophobicContact CD1-CD1 4.13Å; Y260-I440 HydrophobicContact CG-CD1 3.95Å; Y368-I440 HydrophobicContact CD2-CG1 3.91Å; Y368-I440 HydrophobicContact CE2-CD1 3.92Å; Y368-I440 HydrophobicContact CE2-CG1 3.48Å; Y368-I440 VanDerWaalsContact CE2-CG1 3.48Å; L436-I440 HydrophobicContact CB-CD1 4.49Å; L436-I440 VanDerWaalsContact O-CB 3.3Å; L436-I440 WeakPolarHBondContact O-CB 3.32Å; L436-I440 VanDerWaalsContact O-CD1 3.28Å; L436-I440 WeakPolarHBondContact O-CD1 3.34Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 3.11Å; I437-I440 PolarHBondContact O-N 3.03Å; I437-I440 VanDerWaalsContact O-N 3.13Å; I438-I440 VanDerWaalsContact C-N 3.25Å; I438-I440 PolarHBondContact O-N 3.31Å
441V94.3Very high94.5Very high21 Ų2116.9 Ų16.913%0.12710%0.096CC..Hα-helixtrans-104-15.2-171.3-46.70000113.2L251 F257 I437 L445L251-V441 HydrophobicContact CD2-CB 3.9Å; L251-V441 HydrophobicContact CD2-CG1 3.64Å; L251-V441 HydrophobicContact CD2-CG2 4.36Å; F257-V441 HydrophobicContact CB-CG1 4.14Å; F257-V441 HydrophobicContact CD2-CG1 3.42Å; F257-V441 VanDerWaalsContact CD2-CG1 3.42Å; F257-V441 HydrophobicContact CE2-CG1 3.96Å; F257-V441 HydrophobicContact CG-CG1 3.83Å; I437-V441 HydrophobicContact CG2-CG2 3.86Å; I437-V441 WeakPolarHBondContact O-CG2 3.2Å; I437-V441 PolarHBondContact O-N 2.93Å; V441-L445 HydrophobicContact CB-CB 4.23Å; V441-L445 HydrophobicContact CG2-CB 4Å
442G91.8Very high94.5Very high29 Ų2918.3 Ų18.330%0.29910%0.104SC..  trans81.8170.5-174.400000113.5I438 E444 W446I438-G442 WeakPolarHBondContact O-CA 3.19Å; I438-G442 PolarHBondContact O-N 3.45Å; G442-E444 VanDerWaalsContact C-N 3.32Å; G442-E444 PolarHBondContact O-N 3.03Å; G442-W446 PolarHBondContact O-N 2.89Å
443T89.5Confident94.6Very high74 Ų7418.5 Ų18.545%0.45411%0.105SC..SBendtrans-68.4-29.8-179.156.30000112.5E73 I438 L445 W446E73-T443 WeakPolarHBondContact OE2-CB 3.37Å; E73-T443 WeakPolarHBondContact OE2-CG2 3.37Å; I438-T443 HydrophobicContact CG2-CG2 4.1Å; T443-L445 PolarHBondContact O-N 3.4Å; T443-W446 WeakPolarHBondContact O-CB 3.41Å; T443-W446 PolarHBondContact O-N 3.03Å
444E89Confident94.7Very high112 Ų11218.4 Ų18.452%0.52310%0.104SC..THydrogen-bonded Turntrans-60.9-40.2179-170.2-165165.800113K250 G442K250-E444 IonicContact NZ-OE2 3.94Å; G442-E444 VanDerWaalsContact C-N 3.32Å; G442-E444 PolarHBondContact O-N 3.03Å
445L93.8Very high94.8Very high6 Ų620 Ų203%0.03111%0.114CC..THydrogen-bonded Turntrans-10811.4-176.5-65.5169.4000112.6R245 K250 L251 V441 T443 S447 S448 G449R245-L445 HydrophobicContact CB-CD2 4.17Å; K250-L445 HydrophobicContact CB-CD1 3.69Å; K250-L445 HydrophobicContact CD-CD1 4.03Å; L251-L445 HydrophobicContact CD1-CD2 4.48Å; L251-L445 HydrophobicContact CD2-CB 4.09Å; L251-L445 HydrophobicContact CD2-CD1 4.35Å; L251-L445 HydrophobicContact CG-CB 4.45Å; L251-L445 HydrophobicContact CG-CD1 4.17Å; V441-L445 HydrophobicContact CB-CB 4.23Å; V441-L445 HydrophobicContact CG2-CB 4Å; T443-L445 PolarHBondContact O-N 3.4Å; L445-S447 PolarHBondContact O-N 3.41Å; L445-S448 PolarHBondContact O-N 2.88Å; L445-G449 PolarHBondContact O-N 3.5Å
446W93.9Very high94.9Very high15 Ų1522.7 Ų22.76%0.05713%0.126CC..Hα-helixtrans-52.4-55.7-179.2160.5-124.3000112.1L65 T69 P434 I437 I438 G442 T443 S448 G449 L450L65-W446 HydrophobicContact CG-CZ2 4.48Å; T69-W446 HydrophobicContact CG2-CH2 4.49Å; T69-W446 HydrophobicContact CG2-CZ2 3.65Å; T69-W446 PolarHBondContact OG1-NE1 3.49Å; P434-W446 VanDerWaalsContact CA-CH2 3.47Å; P434-W446 HydrophobicContact CB-CH2 3.57Å; P434-W446 HydrophobicContact CB-CZ2 4.29Å; P434-W446 HydrophobicContact CB-CZ3 4.2Å; P434-W446 HydrophobicContact CG-CH2 4.32Å; I437-W446 HydrophobicContact CB-CE3 3.95Å; I437-W446 HydrophobicContact CB-CZ3 3.68Å; I437-W446 HydrophobicContact CD1-CZ3 4.02Å; I437-W446 HydrophobicContact CG1-CZ3 4.44Å; I437-W446 HydrophobicContact CG2-CE3 3.53Å; I437-W446 HydrophobicContact CG2-CZ3 3.7Å; I438-W446 HydrophobicContact CD1-CD2 4.09Å; I438-W446 HydrophobicContact CD1-CE3 4.18Å; I438-W446 HydrophobicContact CD1-CG 4.42Å; I438-W446 HydrophobicContact CG1-CB 4.33Å; I438-W446 HydrophobicContact CG1-CD2 3.75Å; I438-W446 HydrophobicContact CG1-CE3 3.49Å; I438-W446 VanDerWaalsContact CG1-CE3 3.49Å; I438-W446 HydrophobicContact CG1-CG 4.11Å; I438-W446 HydrophobicContact CG1-CZ3 4.14Å; G442-W446 PolarHBondContact O-N 2.89Å; T443-W446 WeakPolarHBondContact O-CB 3.41Å; T443-W446 PolarHBondContact O-N 3.03Å; W446-S448 PolarHBondContact O-N 3.13Å; W446-G449 PolarHBondContact O-N 3.15Å; W446-L450 HydrophobicContact CE3-CB 4.39Å; W446-L450 HydrophobicContact CH2-CB 4.18Å; W446-L450 HydrophobicContact CH2-CD1 3.81Å; W446-L450 HydrophobicContact CH2-CD2 4.03Å; W446-L450 HydrophobicContact CH2-CG 4.22Å; W446-L450 HydrophobicContact CZ2-CB 4.4Å; W446-L450 HydrophobicContact CZ2-CD1 4.34Å; W446-L450 HydrophobicContact CZ2-CD2 3.7Å; W446-L450 HydrophobicContact CZ2-CG 4.37Å; W446-L450 HydrophobicContact CZ3-CB 4.17Å; W446-L450 HydrophobicContact CZ3-CD1 4.33Å; W446-L450 VanDerWaalsContact O-CB 3.3Å; W446-L450 WeakPolarHBondContact O-CB 3.23Å; W446-L450 PolarHBondContact O-N 2.87Å
447S95.2Very high94.9Very high11 Ų1123.3 Ų23.38%0.07713%0.129CC..Hα-helixtrans-57.9-45.6-179.5169.20000112.8C10 D14 L445 L450 G451C10-S447 WeakPolarHBondContact CB-O 3.45Å; C10-S447 VanDerWaalsContact CB-OG 3.26Å; C10-S447 WeakPolarHBondContact CB-OG 3.26Å; D14-S447 WeakPolarHBondContact OD2-CB 3.36Å; D14-S447 PolarHBondContact OD2-OG 3.12Å; L445-S447 PolarHBondContact O-N 3.41Å; S447-L450 PolarHBondContact O-N 3.42Å; S447-G451 PolarHBondContact O-N 3.23Å
448S96.3Very high94.9Very high3 Ų323.5 Ų23.52%0.02113%0.131CC..Hα-helixtrans-67-41.8177.2-61.30000112.5R245 L246 L445 W446 G451 L452R245-S448 VanDerWaalsContact CB-OG 3.26Å; R245-S448 WeakPolarHBondContact CB-OG 3.16Å; L246-S448 PolarHBondContact N-OG 2.84Å; L445-S448 PolarHBondContact O-N 2.88Å; W446-S448 PolarHBondContact O-N 3.13Å; S448-G451 PolarHBondContact O-N 2.78Å; S448-L452 WeakPolarHBondContact O-CG 3.49Å; S448-L452 PolarHBondContact O-N 3.34Å; S448-L452 VanDerWaalsContact O-N 3.11Å
449G97.1Very high94.9Very high0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-63-43.1175.900000112.1L445 W446 L452 F453L445-G449 PolarHBondContact O-N 3.5Å; W446-G449 PolarHBondContact O-N 3.15Å; G449-L452 PolarHBondContact O-N 3.36Å; G449-F453 WeakPolarHBondContact O-CB 3.37Å; G449-F453 PolarHBondContact O-N 3.23Å
450L97.5Very high95.1Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-60.3-47.3174.8177.862.8000111.7L62 L65 M66 F433 I437 W446 S447 L452 F453 L454L62-L450 HydrophobicContact CD2-CD2 3.7Å; L62-L450 HydrophobicContact CD2-CG 4.23Å; L65-L450 HydrophobicContact CD2-CD1 4.24Å; L65-L450 HydrophobicContact CD2-CD2 4.25Å; M66-L450 HydrophobicContact CG-CD2 3.94Å; M66-L450 HydrophobicContact SD-CD2 4.34Å; F433-L450 HydrophobicContact CD2-CD1 4.12Å; F433-L450 HydrophobicContact CE2-CD1 3.52Å; I437-L450 HydrophobicContact CD1-CD1 4.47Å; W446-L450 HydrophobicContact CE3-CB 4.39Å; W446-L450 HydrophobicContact CH2-CB 4.18Å; W446-L450 HydrophobicContact CH2-CD1 3.81Å; W446-L450 HydrophobicContact CH2-CD2 4.03Å; W446-L450 HydrophobicContact CH2-CG 4.22Å; W446-L450 HydrophobicContact CZ2-CB 4.4Å; W446-L450 HydrophobicContact CZ2-CD1 4.34Å; W446-L450 HydrophobicContact CZ2-CD2 3.7Å; W446-L450 HydrophobicContact CZ2-CG 4.37Å; W446-L450 HydrophobicContact CZ3-CB 4.17Å; W446-L450 HydrophobicContact CZ3-CD1 4.33Å; W446-L450 VanDerWaalsContact O-CB 3.3Å; W446-L450 WeakPolarHBondContact O-CB 3.23Å; W446-L450 PolarHBondContact O-N 2.87Å; S447-L450 PolarHBondContact O-N 3.42Å; L450-L452 PolarHBondContact O-N 3.12Å; L450-F453 PolarHBondContact O-N 2.85Å; L450-L454 HydrophobicContact CD1-CD1 3.71Å; L450-L454 HydrophobicContact CD1-CG 3.95Å; L450-L454 HydrophobicContact CG-CD1 3.94Å; L450-L454 HydrophobicContact CG-CG 4.49Å; L450-L454 WeakPolarHBondContact O-CB 3.43Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 3.4Å
451G97.2Very high95.1Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-58.2-48.917800000112.6S447 S448 T455S447-G451 PolarHBondContact O-N 3.23Å; S448-G451 PolarHBondContact O-N 2.78Å; G451-T455 WeakPolarHBondContact O-CB 3.31Å; G451-T455 PolarHBondContact O-N 2.79Å; G451-T455 PolarHBondContact O-OG1 3.42Å
452L96.9Very high95.2Very high31 Ų3128.6 Ų28.616%0.16216%0.156CC..Hα-helixtrans-64.8-44.5177.3-69.9176.2000112.3L246 L251 W252 F257 S448 G449 L450 T455 F456L246-L452 HydrophobicContact CD2-CG 4.29Å; L251-L452 HydrophobicContact CD1-CD1 4.14Å; W252-L452 HydrophobicContact CH2-CD2 4.29Å; W252-L452 HydrophobicContact CZ2-CD1 3.88Å; W252-L452 HydrophobicContact CZ2-CD2 3.74Å; W252-L452 HydrophobicContact CZ2-CG 4.49Å; F257-L452 HydrophobicContact CE1-CD1 4.14Å; F257-L452 HydrophobicContact CZ-CB 4.17Å; F257-L452 HydrophobicContact CZ-CD1 4.42Å; S448-L452 WeakPolarHBondContact O-CG 3.49Å; S448-L452 PolarHBondContact O-N 3.34Å; S448-L452 VanDerWaalsContact O-N 3.11Å; G449-L452 PolarHBondContact O-N 3.36Å; L450-L452 PolarHBondContact O-N 3.12Å; L452-T455 PolarHBondContact O-N 2.9Å; L452-F456 PolarHBondContact O-N 3.3Å; L452-F456 VanDerWaalsContact O-N 3.08Å
453F97.6Very high95.3Very high4 Ų429.7 Ų29.72%0.01816%0.159CC..Hα-helixtrans-56.8-52.4177.5170.2-89.4000111.5Y260 V261 N264 F433 I437 G449 L450 T455 F456 N457Y260-F453 HydrophobicContact CD1-CD2 4.34Å; Y260-F453 HydrophobicContact CD1-CE2 4.36Å; Y260-F453 AromaticContact CE1-CD2 3.89Å; Y260-F453 HydrophobicContact CE1-CD2 3.89Å; Y260-F453 AromaticContact CE1-CE2 3.59Å; Y260-F453 HydrophobicContact CE1-CE2 3.59Å; V261-F453 HydrophobicContact CG2-CB 4.33Å; V261-F453 HydrophobicContact CG2-CD2 4.28Å; N264-F453 HydrophobicContact CB-CD2 4.48Å; N264-F453 HydrophobicContact CB-CE2 3.54Å; N264-F453 HydrophobicContact CB-CZ 4.11Å; N264-F453 VanDerWaalsContact OD1-CE2 3.27Å; N264-F453 WeakPolarHBondContact OD1-CE2 3.17Å; N264-F453 WeakPolarHBondContact OD1-CZ 3.19Å; F433-F453 HydrophobicContact CB-CE1 3.66Å; F433-F453 HydrophobicContact CB-CE2 3.88Å; F433-F453 HydrophobicContact CB-CZ 3.26Å; F433-F453 HydrophobicContact CD1-CE1 4.15Å; F433-F453 HydrophobicContact CD1-CZ 4.36Å; F433-F453 AromaticContact CD2-CD1 3.9Å; F433-F453 HydrophobicContact CD2-CD1 3.9Å; F433-F453 AromaticContact CD2-CE1 3.5Å; F433-F453 HydrophobicContact CD2-CE1 3.5Å; F433-F453 VanDerWaalsContact CD2-CE1 3.5Å; F433-F453 HydrophobicContact CD2-CZ 4.05Å; F433-F453 HydrophobicContact CE2-CE1 4.28Å; F433-F453 HydrophobicContact CG-CD1 4.31Å; F433-F453 AromaticContact CG-CE1 3.46Å; F433-F453 HydrophobicContact CG-CE1 3.46Å; F433-F453 VanDerWaalsContact CG-CE1 3.46Å; F433-F453 AromaticContact CG-CZ 3.62Å; F433-F453 HydrophobicContact CG-CZ 3.62Å; I437-F453 HydrophobicContact CD1-CB 3.65Å; I437-F453 HydrophobicContact CD1-CD1 3.97Å; I437-F453 HydrophobicContact CD1-CD2 3.93Å; I437-F453 HydrophobicContact CD1-CG 3.58Å; I437-F453 HydrophobicContact CG1-CD2 4.43Å; G449-F453 WeakPolarHBondContact O-CB 3.37Å; G449-F453 PolarHBondContact O-N 3.23Å; L450-F453 PolarHBondContact O-N 2.85Å; F453-T455 VanDerWaalsContact C-N 3.35Å; F453-T455 PolarHBondContact O-N 3.29Å; F453-F456 PolarHBondContact O-N 2.66Å; F453-N457 WeakPolarHBondContact O-CB 3.45Å; F453-N457 PolarHBondContact O-N 3.13Å
454L97.1Very high95.6Very high2 Ų226.2 Ų26.21%0.0114%0.138CC..Hα-helixtrans-65.7-39-178.6-72.4174.2000111.4Q3 A6 Y61 L62 L450 F456 N457 G458Q3-L454 HydrophobicContact CB-CB 4.29Å; Q3-L454 WeakPolarHBondContact CB-O 3.5Å; Q3-L454 HydrophobicContact CG-CD2 4.4Å; A6-L454 HydrophobicContact CB-CB 3.62Å; A6-L454 HydrophobicContact CB-CD1 3.89Å; A6-L454 HydrophobicContact CB-CG 4.41Å; Y61-L454 HydrophobicContact CE1-CD1 4.38Å; L62-L454 HydrophobicContact CD2-CD1 3.65Å; L450-L454 HydrophobicContact CD1-CD1 3.71Å; L450-L454 HydrophobicContact CD1-CG 3.95Å; L450-L454 HydrophobicContact CG-CD1 3.94Å; L450-L454 HydrophobicContact CG-CG 4.49Å; L450-L454 WeakPolarHBondContact O-CB 3.43Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 3.4Å; L454-F456 VanDerWaalsContact C-N 3.34Å; L454-F456 PolarHBondContact O-N 3.32Å; L454-N457 PolarHBondContact O-N 3.12Å; L454-G458 PolarHBondContact O-N 3.4Å
455T96.3Very high95.9Very high35 Ų3522.8 Ų22.822%0.21512%0.124CC..Hα-helixtrans-58.2-49176.9-52.90000111.2P7 G451 L452 F453 G458 L459P7-T455 WeakPolarHBondContact CD-OG1 2.95Å; P7-T455 WeakPolarHBondContact CG-OG1 3.29Å; G451-T455 WeakPolarHBondContact O-CB 3.31Å; G451-T455 PolarHBondContact O-N 2.79Å; G451-T455 PolarHBondContact O-OG1 3.42Å; L452-T455 PolarHBondContact O-N 2.9Å; F453-T455 VanDerWaalsContact C-N 3.35Å; F453-T455 PolarHBondContact O-N 3.29Å; T455-G458 PolarHBondContact O-N 3.05Å; T455-L459 PolarHBondContact O-N 3.48Å
456F96.2Very high95.9Very high58 Ų5827.2 Ų27.225%0.25415%0.148SC..Hα-helixtrans-68.1-40.6-179.6-169.7-98000111.6V261 I262 L452 F453 L454 G458 L459 M460V261-F456 HydrophobicContact CG1-CB 3.66Å; V261-F456 HydrophobicContact CG1-CD1 3.78Å; V261-F456 HydrophobicContact CG1-CG 3.81Å; V261-F456 VanDerWaalsContact O-CD1 3.3Å; V261-F456 WeakPolarHBondContact O-CD1 3.15Å; I262-F456 HydrophobicContact CG1-CZ 4.4Å; L452-F456 PolarHBondContact O-N 3.3Å; L452-F456 VanDerWaalsContact O-N 3.08Å; F453-F456 PolarHBondContact O-N 2.66Å; L454-F456 VanDerWaalsContact C-N 3.34Å; L454-F456 PolarHBondContact O-N 3.32Å; F456-G458 VanDerWaalsContact C-N 3.31Å; F456-G458 PolarHBondContact O-N 3.25Å; F456-L459 PolarHBondContact O-N 3.1Å; F456-M460 HydrophobicContact CD1-CG 4.09Å; F456-M460 HydrophobicContact CE1-CE 4.32Å; F456-M460 HydrophobicContact CE1-CG 3.71Å; F456-M460 HydrophobicContact CE1-SD 4.4Å; F456-M460 HydrophobicContact CE2-CE 3.87Å; F456-M460 HydrophobicContact CZ-CE 3.68Å; F456-M460 HydrophobicContact CZ-CG 4.05Å; F456-M460 HydrophobicContact CZ-SD 4.24Å; F456-M460 WeakPolarHBondContact O-CG 3.42Å; F456-M460 PolarHBondContact O-N 2.63Å
457N95.6Very high96Very high13 Ų1330.7 Ų30.77%0.0717%0.167CC..Hα-helixtrans-58.1-43.4172.2-172.9-94.1000111.3Q3 N264 F453 L454 M460 N461Q3-N457 PolarHBondContact NE2-OD1 2.89Å; Q3-N457 PolarHBondContact OE1-OD1 3.42Å; N264-N457 PolarHBondContact OD1-ND2 3.27Å; F453-N457 WeakPolarHBondContact O-CB 3.45Å; F453-N457 PolarHBondContact O-N 3.13Å; L454-N457 PolarHBondContact O-N 3.12Å; N457-M460 PolarHBondContact O-N 2.9Å; N457-N461 WeakPolarHBondContact O-CB 3.5Å; N457-N461 PolarHBondContact O-N 3.07Å; N457-N461 PolarHBondContact O-ND2 2.81Å; N457-N461 PolarHBondContact O-OD1 2.85Å; N457-N461 PolarHBondContact OD1-ND2 3.31Å
458G95.5Very high95.9Very high3 Ų330.2 Ų30.23%0.03116%0.163CC..Hα-helixtrans-65.5-38.1177.200000114.2L454 T455 F456 L462L454-G458 PolarHBondContact O-N 3.4Å; T455-G458 PolarHBondContact O-N 3.05Å; F456-G458 VanDerWaalsContact C-N 3.31Å; F456-G458 PolarHBondContact O-N 3.25Å; G458-L462 WeakPolarHBondContact O-CB 3.4Å; G458-L462 PolarHBondContact O-N 3.41Å
459L96.1Very high95.9Very high72 Ų7231 Ų3138%0.37717%0.172SC..Hα-helixtrans-62.4-46.7172.7-179.964.7000111.1F4 T455 F456 L462 C463F4-L459 HydrophobicContact CE1-CB 4.29Å; F4-L459 HydrophobicContact CE1-CD1 4.21Å; F4-L459 HydrophobicContact CZ-CB 4.12Å; F4-L459 HydrophobicContact CZ-CD1 4.06Å; T455-L459 PolarHBondContact O-N 3.48Å; F456-L459 PolarHBondContact O-N 3.1Å; L459-L462 WeakPolarHBondContact O-CB 3.08Å; L459-L462 PolarHBondContact O-N 2.91Å; L459-C463 PolarHBondContact O-N 2.84Å; L459-C463 PolarHBondContact O-SG 3.45Å; L459-C463 VanDerWaalsContact O-SG 3.37Å
460M96.1Very high95.8Very high41 Ų4138 Ų3820%0.20220%0.202CC..Hα-helixtrans-69.6-37.4-179.7-67.9-65.4129.400112.4G265 A269 F456 N457 L462 C463 G464G265-M460 WeakPolarHBondContact O-CB 3.42Å; A269-M460 HydrophobicContact CB-CB 4.13Å; A269-M460 VanDerWaalsContact CB-O 3.28Å; A269-M460 WeakPolarHBondContact CB-O 3.41Å; F456-M460 HydrophobicContact CD1-CG 4.09Å; F456-M460 HydrophobicContact CE1-CE 4.32Å; F456-M460 HydrophobicContact CE1-CG 3.71Å; F456-M460 HydrophobicContact CE1-SD 4.4Å; F456-M460 HydrophobicContact CE2-CE 3.87Å; F456-M460 HydrophobicContact CZ-CE 3.68Å; F456-M460 HydrophobicContact CZ-CG 4.05Å; F456-M460 HydrophobicContact CZ-SD 4.24Å; F456-M460 WeakPolarHBondContact O-CG 3.42Å; F456-M460 PolarHBondContact O-N 2.63Å; N457-M460 PolarHBondContact O-N 2.9Å; M460-L462 VanDerWaalsContact C-N 3.3Å; M460-L462 PolarHBondContact O-N 3.48Å; M460-C463 WeakPolarHBondContact O-CB 3.33Å; M460-C463 PolarHBondContact O-N 3.3Å; M460-C463 VanDerWaalsContact O-N 3.16Å; M460-G464 PolarHBondContact O-N 2.99Å
461N95.1Very high95.7Very high27 Ų2739 Ų3914%0.14421%0.207CC..Hα-helixtrans-60.6-41.1172.7-69.5-16.3000111.4Q3 G268 N457 G464 T465Q3-N461 PolarHBondContact OE1-ND2 3.41Å; G268-N461 WeakPolarHBondContact CA-OD1 3.36Å; G268-N461 PolarHBondContact O-OD1 2.76Å; N457-N461 WeakPolarHBondContact O-CB 3.5Å; N457-N461 PolarHBondContact O-N 3.07Å; N457-N461 PolarHBondContact O-ND2 2.81Å; N457-N461 PolarHBondContact O-OD1 2.85Å; N457-N461 PolarHBondContact OD1-ND2 3.31Å; N461-G464 PolarHBondContact O-N 2.62Å; N461-T465 PolarHBondContact O-N 2.97Å; N461-T465 PolarHBondContact O-OG1 3.04Å
462L94.5Very high95.6Very high65 Ų6542.5 Ų42.534%0.3422%0.221SC..Hα-helixtrans-62.1-43.6174.2-177.368.5000111.2F4 G458 L459 M460 T465 N466F4-L462 HydrophobicContact CE2-CD2 4.35Å; F4-L462 HydrophobicContact CZ-CD2 4.13Å; G458-L462 WeakPolarHBondContact O-CB 3.4Å; G458-L462 PolarHBondContact O-N 3.41Å; L459-L462 WeakPolarHBondContact O-CB 3.08Å; L459-L462 PolarHBondContact O-N 2.91Å; M460-L462 VanDerWaalsContact C-N 3.3Å; M460-L462 PolarHBondContact O-N 3.48Å; L462-T465 PolarHBondContact O-OG1 3.35Å; L462-N466 VanDerWaalsContact CD1-ND2 3.32Å; L462-N466 WeakPolarHBondContact CD1-ND2 3.23Å; L462-N466 WeakPolarHBondContact O-CB 3.37Å; L462-N466 PolarHBondContact O-N 3.4Å; L462-N466 VanDerWaalsContact O-N 3.16Å; L462-N466 PolarHBondContact O-ND2 2.89Å
463C95.5Very high95.5Very high52 Ų5247.2 Ų47.235%0.35125%0.247SC..Hα-helixtrans-60.3-46.2174.5-66.50000111.6L459 M460 T465 N466 I467L459-C463 PolarHBondContact O-N 2.84Å; L459-C463 PolarHBondContact O-SG 3.45Å; L459-C463 VanDerWaalsContact O-SG 3.37Å; M460-C463 WeakPolarHBondContact O-CB 3.33Å; M460-C463 PolarHBondContact O-N 3.3Å; M460-C463 VanDerWaalsContact O-N 3.16Å; C463-T465 PolarHBondContact O-N 3.37Å; C463-N466 PolarHBondContact O-N 3.15Å; C463-I467 HydrophobicContact CB-CD1 4.43Å; C463-I467 VanDerWaalsContact O-CB 3.3Å; C463-I467 WeakPolarHBondContact O-CB 3.08Å; C463-I467 WeakPolarHBondContact O-CD1 3.34Å; C463-I467 WeakPolarHBondContact O-CG1 3.28Å; C463-I467 PolarHBondContact O-N 2.92Å
464G95.3Very high95.4Very high1 Ų151.8 Ų51.81%0.0128%0.275CS..Hα-helixtrans-58.1-48.9179.700000113M460 N461 G468M460-G464 PolarHBondContact O-N 2.99Å; N461-G464 PolarHBondContact O-N 2.62Å; G464-G468 PolarHBondContact O-N 2.74Å
465T94.6Very high95.2Very high39 Ų3959.8 Ų59.824%0.23931%0.305CS..Hα-helixtrans-66.3-42.4179.954.70000112.8V272 F277 N461 L462 C463 G468 G469V272-T465 HydrophobicContact CB-CG2 4.32Å; V272-T465 HydrophobicContact CG1-CG2 3.9Å; V272-T465 HydrophobicContact CG2-CG2 3.45Å; V272-T465 VanDerWaalsContact CG2-CG2 3.45Å; F277-T465 WeakPolarHBondContact CZ-O 3.34Å; N461-T465 PolarHBondContact O-N 2.97Å; N461-T465 PolarHBondContact O-OG1 3.04Å; L462-T465 PolarHBondContact O-OG1 3.35Å; C463-T465 PolarHBondContact O-N 3.37Å; T465-G468 PolarHBondContact O-N 3.22Å; T465-G469 PolarHBondContact O-N 3.4Å
466N95.3Very high94.9Very high100 Ų10060.2 Ų60.254%0.53532%0.316SS..Hα-helixtrans-68.1-41.1179.2-78.8-89.8000112.2L462 C463 K470L462-N466 VanDerWaalsContact CD1-ND2 3.32Å; L462-N466 WeakPolarHBondContact CD1-ND2 3.23Å; L462-N466 WeakPolarHBondContact O-CB 3.37Å; L462-N466 PolarHBondContact O-N 3.4Å; L462-N466 VanDerWaalsContact O-N 3.16Å; L462-N466 PolarHBondContact O-ND2 2.89Å; C463-N466 PolarHBondContact O-N 3.15Å; N466-K470 WeakPolarHBondContact O-CB 3.48Å; N466-K470 PolarHBondContact O-N 3.38Å
467I95Very high94.7Very high88 Ų8859 Ų5945%0.45132%0.315SS..Hα-helixtrans-64.4-43.9175.6-69.3167.1000109.8C463 K470 I471C463-I467 HydrophobicContact CB-CD1 4.43Å; C463-I467 VanDerWaalsContact O-CB 3.3Å; C463-I467 WeakPolarHBondContact O-CB 3.08Å; C463-I467 WeakPolarHBondContact O-CD1 3.34Å; C463-I467 WeakPolarHBondContact O-CG1 3.28Å; C463-I467 PolarHBondContact O-N 2.92Å; I467-K470 PolarHBondContact O-N 3.24Å; I467-I471 HydrophobicContact CG2-CD1 3.71Å; I467-I471 HydrophobicContact CG2-CG1 4.37Å; I467-I471 WeakPolarHBondContact O-CD1 3.06Å; I467-I471 VanDerWaalsContact O-CG1 3.24Å; I467-I471 WeakPolarHBondContact O-CG1 3.33Å; I467-I471 PolarHBondContact O-N 3.28Å
468G93.9Very high94.7Very high0 Ų059.4 Ų59.40%032%0.316CS..Hα-helixtrans-57.4-49.417700000112.9G464 T465 I471 Y472G464-G468 PolarHBondContact O-N 2.74Å; T465-G468 PolarHBondContact O-N 3.22Å; G468-I471 PolarHBondContact O-N 3.47Å; G468-Y472 PolarHBondContact O-N 2.99Å
469G94.8Very high94.7Very high19 Ų1961.8 Ų61.820%0.19633%0.326CS..Hα-helixtrans-61.9-44.2176.300000112.9T465 I471 Y472 D473T465-G469 PolarHBondContact O-N 3.4Å; G469-I471 VanDerWaalsContact C-N 3.3Å; G469-I471 PolarHBondContact O-N 3.07Å; G469-Y472 WeakPolarHBondContact O-CB 3.38Å; G469-Y472 PolarHBondContact O-N 3.48Å; G469-Y472 VanDerWaalsContact O-N 3.1Å; G469-D473 PolarHBondContact O-N 3.43Å
470K96.2Very high94.6Very high147 Ų14762 Ų6264%0.63933%0.326SS*.Hα-helixtrans-65.4-31.6179.1-169.6173.2-175.4176.20113.3N466 I467 Y472 D473 T474N466-K470 WeakPolarHBondContact O-CB 3.48Å; N466-K470 PolarHBondContact O-N 3.38Å; I467-K470 PolarHBondContact O-N 3.24Å; K470-Y472 VanDerWaalsContact C-N 3.32Å; K470-D473 PolarHBondContact O-N 3.03Å; K470-T474 WeakPolarHBondContact O-CG2 3.31Å; K470-T474 PolarHBondContact O-N 3.34Å; K470-T474 VanDerWaalsContact O-N 3.16Å; K470-T474 PolarHBondContact O-OG1 2.98Å
471I96Very high94.7Very high21 Ų2160.1 Ų60.111%0.10832%0.317CS..Hα-helixtrans-64.5-41.6174-72.3163.1000110.1I467 G468 G469 T474 R475 M480 A481 I484I467-I471 HydrophobicContact CG2-CD1 3.71Å; I467-I471 HydrophobicContact CG2-CG1 4.37Å; I467-I471 WeakPolarHBondContact O-CD1 3.06Å; I467-I471 VanDerWaalsContact O-CG1 3.24Å; I467-I471 WeakPolarHBondContact O-CG1 3.33Å; I467-I471 PolarHBondContact O-N 3.28Å; G468-I471 PolarHBondContact O-N 3.47Å; G469-I471 VanDerWaalsContact C-N 3.3Å; G469-I471 PolarHBondContact O-N 3.07Å; I471-T474 PolarHBondContact O-N 3.44Å; I471-T474 PolarHBondContact O-OG1 2.94Å; I471-T474 VanDerWaalsContact O-OG1 3.12Å; I471-R475 WeakPolarHBondContact O-CB 3.28Å; I471-R475 PolarHBondContact O-N 3.25Å; I471-M480 HydrophobicContact CG2-CB 3.86Å; I471-A481 HydrophobicContact CB-CB 4.38Å; I471-A481 HydrophobicContact CD1-CB 4Å; I471-A481 HydrophobicContact CG2-CB 4.27Å; I471-I484 HydrophobicContact CD1-CD1 3.59Å
472Y94.3Very high94.7Very high75 Ų7558.9 Ų58.929%0.29431%0.31SS..Hα-helixtrans-61.8-49.3174.3176.2-95.3000111.5T284 G468 G469 K470 T474 R475 G476 Y478T284-Y472 HydrophobicContact CG2-CE2 3.88Å; G468-Y472 PolarHBondContact O-N 2.99Å; G469-Y472 WeakPolarHBondContact O-CB 3.38Å; G469-Y472 PolarHBondContact O-N 3.48Å; G469-Y472 VanDerWaalsContact O-N 3.1Å; K470-Y472 VanDerWaalsContact C-N 3.32Å; Y472-T474 PolarHBondContact O-N 2.96Å; Y472-T474 VanDerWaalsContact O-N 3.1Å; Y472-R475 PolarHBondContact O-N 3.36Å; Y472-G476 VanDerWaalsContact O-CA 3.3Å; Y472-G476 WeakPolarHBondContact O-CA 3.17Å; Y472-G476 PolarHBondContact O-N 3.46Å; Y472-Y478 VanDerWaalsContact CB-CE1 3.49Å; Y472-Y478 HydrophobicContact CD2-CD1 4.46Å; Y472-Y478 AromaticContact CD2-CD2 3.58Å; Y472-Y478 HydrophobicContact CD2-CD2 3.58Å; Y472-Y478 HydrophobicContact CD2-CE1 4.17Å; Y472-Y478 AromaticContact CD2-CE2 3.2Å; Y472-Y478 HydrophobicContact CD2-CE2 3.2Å; Y472-Y478 HydrophobicContact CD2-CG 4.2Å; Y472-Y478 AromaticContact CD2-CZ 3.55Å; Y472-Y478 HydrophobicContact CE2-CD2 4.13Å; Y472-Y478 AromaticContact CE2-CE2 3.63Å; Y472-Y478 HydrophobicContact CE2-CE2 3.63Å; Y472-Y478 HydrophobicContact CG-CD2 4.34Å; Y472-Y478 AromaticContact CG-CE1 3.97Å; Y472-Y478 HydrophobicContact CG-CE1 3.97Å; Y472-Y478 AromaticContact CG-CE2 3.72Å; Y472-Y478 HydrophobicContact CG-CE2 3.72Å; Y472-Y478 AromaticContact CG-CZ 3.51Å
473D94.5Very high94.9Very high130 Ų13057.3 Ų57.370%0.69530%0.302SS*.Hα-helixtrans-58.3-30.3-179.6-64.7-23.1000113.2G469 K470G469-D473 PolarHBondContact O-N 3.43Å; K470-D473 PolarHBondContact O-N 3.03Å
474T94.8Very high94.9Very high100 Ų10058.1 Ų58.161%0.61330%0.302SS*.Hα-helixtrans-92.2-28.2-177.952.50000114.3K470 I471 Y472K470-T474 WeakPolarHBondContact O-CG2 3.31Å; K470-T474 PolarHBondContact O-N 3.34Å; K470-T474 VanDerWaalsContact O-N 3.16Å; K470-T474 PolarHBondContact O-OG1 2.98Å; I471-T474 PolarHBondContact O-N 3.44Å; I471-T474 PolarHBondContact O-OG1 2.94Å; I471-T474 VanDerWaalsContact O-OG1 3.12Å; Y472-T474 PolarHBondContact O-N 2.96Å; Y472-T474 VanDerWaalsContact O-N 3.1Å
475R93.2Very high95Very high170 Ų17058.1 Ų58.164%0.64230%0.302SS*.Hα-helixtrans-118.5-11.6-174.3-66-170.1174.7-127.32114.8I471 Y472 S477I471-R475 WeakPolarHBondContact O-CB 3.28Å; I471-R475 PolarHBondContact O-N 3.25Å; Y472-R475 PolarHBondContact O-N 3.36Å; R475-S477 PolarHBondContact O-N 3.31Å
476G90.9Very high95.2Very high43 Ų4356.4 Ų56.444%0.44329%0.291SS..SBendtrans69.411.5-174.400000114.8Y472Y472-G476 VanDerWaalsContact O-CA 3.3Å; Y472-G476 WeakPolarHBondContact O-CA 3.17Å; Y472-G476 PolarHBondContact O-N 3.46Å
477S92.3Very high95.3Very high34 Ų3457.8 Ų57.824%0.23829%0.293CS..  trans-148.5140.9-178.5175.20000112.4R475 Q479R475-S477 PolarHBondContact O-N 3.31Å; S477-Q479 VanDerWaalsContact C-N 3.33Å; S477-Q479 PolarHBondContact OG-N 2.9Å
478Y95Very high95.5Very high20 Ų2055.8 Ų55.88%0.07828%0.283CS..SBendtrans-82.1-5.2175.7-69.9-75.2000114.2F277 D280 H281 Y472 M480 A481 L482F277-Y478 HydrophobicContact CB-CD1 3.78Å; F277-Y478 HydrophobicContact CB-CE1 3.99Å; F277-Y478 HydrophobicContact CB-CG 4.21Å; F277-Y478 AromaticContact CD1-CD1 3.98Å; F277-Y478 HydrophobicContact CD1-CD1 3.98Å; F277-Y478 AromaticContact CD1-CE1 3.3Å; F277-Y478 HydrophobicContact CD1-CE1 3.3Å; F277-Y478 AromaticContact CD1-CZ 3.74Å; F277-Y478 HydrophobicContact CD2-CD1 4.41Å; F277-Y478 HydrophobicContact CD2-CE1 4.35Å; F277-Y478 AromaticContact CE1-CE1 3.77Å; F277-Y478 HydrophobicContact CE1-CE1 3.77Å; F277-Y478 AromaticContact CG-CD1 3.82Å; F277-Y478 HydrophobicContact CG-CD1 3.82Å; F277-Y478 AromaticContact CG-CE1 3.63Å; F277-Y478 HydrophobicContact CG-CE1 3.63Å; F277-Y478 HydrophobicContact CZ-CE1 4.46Å; D280-Y478 HydrophobicContact CB-CD2 4.18Å; D280-Y478 HydrophobicContact CB-CE2 3.6Å; H281-Y478 HydrophobicContact CB-CD2 4.38Å; H281-Y478 HydrophobicContact CB-CG 4.41Å; Y472-Y478 VanDerWaalsContact CB-CE1 3.49Å; Y472-Y478 HydrophobicContact CD2-CD1 4.46Å; Y472-Y478 AromaticContact CD2-CD2 3.58Å; Y472-Y478 HydrophobicContact CD2-CD2 3.58Å; Y472-Y478 HydrophobicContact CD2-CE1 4.17Å; Y472-Y478 AromaticContact CD2-CE2 3.2Å; Y472-Y478 HydrophobicContact CD2-CE2 3.2Å; Y472-Y478 HydrophobicContact CD2-CG 4.2Å; Y472-Y478 AromaticContact CD2-CZ 3.55Å; Y472-Y478 HydrophobicContact CE2-CD2 4.13Å; Y472-Y478 AromaticContact CE2-CE2 3.63Å; Y472-Y478 HydrophobicContact CE2-CE2 3.63Å; Y472-Y478 HydrophobicContact CG-CD2 4.34Å; Y472-Y478 AromaticContact CG-CE1 3.97Å; Y472-Y478 HydrophobicContact CG-CE1 3.97Å; Y472-Y478 AromaticContact CG-CE2 3.72Å; Y472-Y478 HydrophobicContact CG-CE2 3.72Å; Y472-Y478 AromaticContact CG-CZ 3.51Å; Y478-M480 VanDerWaalsContact C-N 3.3Å; Y478-M480 PolarHBondContact O-N 2.67Å; Y478-A481 WeakPolarHBondContact O-CA 3.34Å; Y478-A481 WeakPolarHBondContact O-CB 3.44Å; Y478-A481 PolarHBondContact O-N 3.03Å; Y478-L482 PolarHBondContact O-N 3.3Å
479Q95Very high95.6Very high54 Ų5455.8 Ų55.825%0.25228%0.283SS..Hα-helixtrans-56.3-44.1-176-168.8-177.211.100112.3A390 S477 A481 L482 L483A390-Q479 VanDerWaalsContact O-CG 3.27Å; A390-Q479 WeakPolarHBondContact O-CG 3.18Å; A390-Q479 PolarHBondContact O-NE2 3.5Å; A390-Q479 VanDerWaalsContact O-NE2 3.1Å; S477-Q479 VanDerWaalsContact C-N 3.33Å; S477-Q479 PolarHBondContact OG-N 2.9Å; Q479-A481 VanDerWaalsContact C-N 3.32Å; Q479-A481 PolarHBondContact O-N 3.17Å; Q479-L482 PolarHBondContact O-N 3.41Å; Q479-L483 WeakPolarHBondContact O-CG 3.48Å; Q479-L483 PolarHBondContact O-N 3.41Å
480M95Very high95.8Very high77 Ų7757.6 Ų57.638%0.37929%0.288SS..Hα-helixtrans-67.4-31.7177.5-74.1-67.7174.800112.7I471 Y478 L483 I484I471-M480 HydrophobicContact CG2-CB 3.86Å; Y478-M480 VanDerWaalsContact C-N 3.3Å; Y478-M480 PolarHBondContact O-N 2.67Å; M480-L483 HydrophobicContact CE-CD1 4.49Å; M480-L483 PolarHBondContact O-N 3.25Å; M480-L483 HydrophobicContact SD-CD1 3.87Å; M480-I484 WeakPolarHBondContact O-CG1 3.45Å; M480-I484 PolarHBondContact O-N 3.22Å
481A96.6Very high95.9Very high0 Ų055.7 Ų55.70%028%0.28CS..Hα-helixtrans-66.3-43.2174.800000110.8I273 I471 Y478 Q479 I484 A485I273-A481 HydrophobicContact CG2-CB 3.95Å; I471-A481 HydrophobicContact CB-CB 4.38Å; I471-A481 HydrophobicContact CD1-CB 4Å; I471-A481 HydrophobicContact CG2-CB 4.27Å; Y478-A481 WeakPolarHBondContact O-CA 3.34Å; Y478-A481 WeakPolarHBondContact O-CB 3.44Å; Y478-A481 PolarHBondContact O-N 3.03Å; Q479-A481 VanDerWaalsContact C-N 3.32Å; Q479-A481 PolarHBondContact O-N 3.17Å; A481-I484 PolarHBondContact O-N 3.36Å; A481-A485 WeakPolarHBondContact O-CB 3.31Å; A481-A485 PolarHBondContact O-N 2.95Å
482L97.1Very high96Very high1 Ų154.7 Ų54.71%0.00528%0.275CS..Hα-helixtrans-66.2-37.8175.6-66.4171.3000112.5I273 P274 H281 A390 Y478 Q479 A485 A486I273-L482 HydrophobicContact CG2-CD2 4.2Å; P274-L482 HydrophobicContact CB-CD2 3.98Å; P274-L482 HydrophobicContact CG-CD2 3.79Å; H281-L482 HydrophobicContact CB-CD1 4.25Å; H281-L482 WeakPolarHBondContact CD2-CD1 3.24Å; A390-L482 HydrophobicContact CB-CB 3.58Å; Y478-L482 PolarHBondContact O-N 3.3Å; Q479-L482 PolarHBondContact O-N 3.41Å; L482-A485 WeakPolarHBondContact O-CB 3.35Å; L482-A485 PolarHBondContact O-N 2.95Å; L482-A486 PolarHBondContact O-N 3.1Å
483L97.2Very high96.1Very high33 Ų3353 Ų5317%0.17327%0.269CS..Hα-helixtrans-60.6-48.8172.7-75.2174000111.3L387 A390 L391 Q479 M480 A485 A486 F487L387-L483 HydrophobicContact CD1-CD2 3.7Å; A390-L483 HydrophobicContact CB-CD2 3.71Å; A390-L483 HydrophobicContact CB-CG 3.84Å; L391-L483 HydrophobicContact CD2-CD2 4.06Å; L391-L483 HydrophobicContact CG-CD2 4.46Å; Q479-L483 WeakPolarHBondContact O-CG 3.48Å; Q479-L483 PolarHBondContact O-N 3.41Å; M480-L483 HydrophobicContact CE-CD1 4.49Å; M480-L483 PolarHBondContact O-N 3.25Å; M480-L483 HydrophobicContact SD-CD1 3.87Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.26Å; L483-A486 PolarHBondContact O-N 3.09Å; L483-F487 WeakPolarHBondContact O-CD2 3.35Å; L483-F487 PolarHBondContact O-N 3.42Å; L483-F487 VanDerWaalsContact O-N 3.09Å
484I97Very high96.3Very high69 Ų6951.1 Ų51.135%0.35426%0.259SS..Hα-helixtrans-58.9-41.9176.7-72.6165.4000110.6I471 M480 A481 A486 F487 L488I471-I484 HydrophobicContact CD1-CD1 3.59Å; M480-I484 WeakPolarHBondContact O-CG1 3.45Å; M480-I484 PolarHBondContact O-N 3.22Å; A481-I484 PolarHBondContact O-N 3.36Å; I484-A486 VanDerWaalsContact C-N 3.35Å; I484-A486 PolarHBondContact O-N 3.38Å; I484-F487 PolarHBondContact O-N 2.88Å; I484-L488 HydrophobicContact CG2-CD1 4Å; I484-L488 HydrophobicContact CG2-CG 4.23Å; I484-L488 WeakPolarHBondContact O-CG 3.14Å; I484-L488 PolarHBondContact O-N 3.42Å
485A97.5Very high96.4Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-57.1-45.9176.400000112.7G270 I273 P274 T386 A481 L482 L483 F487 L488 S489G270-A485 WeakPolarHBondContact O-CB 3.49Å; I273-A485 HydrophobicContact CB-CB 3.92Å; I273-A485 HydrophobicContact CD1-CB 3.95Å; I273-A485 HydrophobicContact CG1-CB 4.5Å; I273-A485 HydrophobicContact CG2-CB 4.15Å; P274-A485 HydrophobicContact CG-CB 4.44Å; T386-A485 HydrophobicContact CG2-CB 3.75Å; A481-A485 WeakPolarHBondContact O-CB 3.31Å; A481-A485 PolarHBondContact O-N 2.95Å; L482-A485 WeakPolarHBondContact O-CB 3.35Å; L482-A485 PolarHBondContact O-N 2.95Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.26Å; A485-F487 VanDerWaalsContact C-N 3.34Å; A485-F487 PolarHBondContact O-N 3.01Å; A485-L488 PolarHBondContact O-N 3.46Å; A485-S489 PolarHBondContact O-N 2.92Å
486A98Very high96.6Very high3 Ų340.1 Ų40.13%0.02521%0.209CC..Hα-helixtrans-62.1-41.1176.600000112.5S383 T386 L387 L482 L483 I484 L490S383-A486 WeakPolarHBondContact CB-O 3.38Å; S383-A486 PolarHBondContact OG-O 3.34Å; T386-A486 HydrophobicContact CG2-CB 4.02Å; L387-A486 HydrophobicContact CB-CB 3.8Å; L387-A486 HydrophobicContact CD1-CB 4.29Å; L482-A486 PolarHBondContact O-N 3.1Å; L483-A486 PolarHBondContact O-N 3.09Å; I484-A486 VanDerWaalsContact C-N 3.35Å; I484-A486 PolarHBondContact O-N 3.38Å; A486-L490 PolarHBondContact O-N 3.25Å
487F98Very high96.8Very high129 Ų12940 Ų4057%0.56620%0.199SC*.Hα-helixtrans-67.5-35.8176.7-80.7-68.3000112.9L483 I484 A485 L490 F491L483-F487 WeakPolarHBondContact O-CD2 3.35Å; L483-F487 PolarHBondContact O-N 3.42Å; L483-F487 VanDerWaalsContact O-N 3.09Å; I484-F487 PolarHBondContact O-N 2.88Å; A485-F487 VanDerWaalsContact C-N 3.34Å; A485-F487 PolarHBondContact O-N 3.01Å; F487-L490 PolarHBondContact O-N 3.34Å; F487-F491 VanDerWaalsContact O-CB 3.26Å; F487-F491 WeakPolarHBondContact O-CB 3.41Å; F487-F491 PolarHBondContact O-N 3.24Å
488L97.8Very high97Very high46 Ų4643.8 Ų43.824%0.24121%0.214CC..Hα-helixtrans-62-45.1176.6-73170.6000111.4I266 A269 I484 A485 L490 F491 A492I266-L488 HydrophobicContact CG2-CB 4.15Å; I266-L488 HydrophobicContact CG2-CD2 3.97Å; I266-L488 VanDerWaalsContact CG2-O 3.3Å; I266-L488 WeakPolarHBondContact CG2-O 3.38Å; A269-L488 HydrophobicContact CB-CD1 4.06Å; I484-L488 HydrophobicContact CG2-CD1 4Å; I484-L488 HydrophobicContact CG2-CG 4.23Å; I484-L488 WeakPolarHBondContact O-CG 3.14Å; I484-L488 PolarHBondContact O-N 3.42Å; A485-L488 PolarHBondContact O-N 3.46Å; L488-L490 PolarHBondContact O-N 2.74Å; L488-F491 PolarHBondContact O-N 3.11Å; L488-A492 PolarHBondContact O-N 3.48Å
489S97.1Very high97Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-64.4-38.9176.2-620000112.4N382 A485 A492 F493N382-S489 WeakPolarHBondContact OD1-CB 3.23Å; N382-S489 PolarHBondContact OD1-OG 2.89Å; A485-S489 PolarHBondContact O-N 2.92Å; S489-A492 PolarHBondContact O-N 3.24Å; S489-F493 PolarHBondContact O-N 3.47Å; S489-F493 VanDerWaalsContact O-N 3.11Å
490L98.1Very high96.9Very high57 Ų5742.8 Ų42.830%0.29821%0.21SC..Hα-helixtrans-65.8-41.2174-174.462.5000111.9L380 A486 F487 L488 F493 L494L380-L490 HydrophobicContact CD2-CD1 4Å; A486-L490 PolarHBondContact O-N 3.25Å; F487-L490 PolarHBondContact O-N 3.34Å; L488-L490 PolarHBondContact O-N 2.74Å; L490-F493 HydrophobicContact CD1-CD1 4.39Å; L490-F493 WeakPolarHBondContact O-CB 3.49Å; L490-F493 PolarHBondContact O-N 3.08Å; L490-L494 HydrophobicContact CG-CD1 4.38Å; L490-L494 WeakPolarHBondContact O-CG 3.24Å; L490-L494 PolarHBondContact O-N 3.36Å
491F98.1Very high96.9Very high108 Ų10843.4 Ų43.447%0.47421%0.214SC..Hα-helixtrans-64.1-42.8177.8-177.8-115.1000111.3I266 F487 L488 F493 L494 L495I266-F491 HydrophobicContact CD1-CD1 3.98Å; I266-F491 HydrophobicContact CD1-CE1 3.87Å; I266-F491 HydrophobicContact CG2-CD1 4.01Å; F487-F491 VanDerWaalsContact O-CB 3.26Å; F487-F491 WeakPolarHBondContact O-CB 3.41Å; F487-F491 PolarHBondContact O-N 3.24Å; L488-F491 PolarHBondContact O-N 3.11Å; F491-F493 VanDerWaalsContact C-N 3.3Å; F491-F493 PolarHBondContact O-N 3.31Å; F491-L494 PolarHBondContact O-N 2.92Å; F491-L495 HydrophobicContact CD1-CD1 3.82Å; F491-L495 HydrophobicContact CD1-CG 4.31Å; F491-L495 HydrophobicContact CE1-CD1 3.47Å; F491-L495 VanDerWaalsContact CE1-CD1 3.47Å; F491-L495 HydrophobicContact CE1-CD2 4.34Å; F491-L495 HydrophobicContact CE1-CG 4Å; F491-L495 HydrophobicContact CE2-CD2 4.21Å; F491-L495 HydrophobicContact CE2-CG 4.2Å; F491-L495 HydrophobicContact CZ-CD1 3.87Å; F491-L495 HydrophobicContact CZ-CD2 3.86Å; F491-L495 HydrophobicContact CZ-CG 3.93Å; F491-L495 WeakPolarHBondContact O-CB 3.38Å; F491-L495 VanDerWaalsContact O-CG 3.31Å; F491-L495 WeakPolarHBondContact O-CG 3.34Å; F491-L495 PolarHBondContact O-N 2.63Å
492A98Very high96.8Very high0 Ų049.6 Ų49.60%024%0.241CC..Hα-helixtrans-57-42.7172.200000112.3A263 I266 A267 L379 L488 S489 V496A263-A492 HydrophobicContact CB-CB 4.27Å; A263-A492 WeakPolarHBondContact O-CB 3.41Å; I266-A492 HydrophobicContact CB-CB 4.35Å; I266-A492 HydrophobicContact CG2-CB 4.12Å; A267-A492 HydrophobicContact CB-CB 4.04Å; L379-A492 HydrophobicContact CD1-CB 4.23Å; L379-A492 HydrophobicContact CD2-CB 4.31Å; L488-A492 PolarHBondContact O-N 3.48Å; S489-A492 PolarHBondContact O-N 3.24Å; A492-V496 WeakPolarHBondContact O-CG2 3.47Å; A492-V496 PolarHBondContact O-N 3.21Å
493F98Very high96.5Very high39 Ų3951.3 Ų51.317%0.17125%0.252CS..Hα-helixtrans-60.4-51.4174.4166.5-91.9000111.5L376 L379 L380 S489 L490 F491 L495 V496 V497L376-F493 HydrophobicContact CB-CD2 3.97Å; L376-F493 HydrophobicContact CB-CE2 3.93Å; L376-F493 HydrophobicContact CD2-CD2 3.65Å; L376-F493 HydrophobicContact CD2-CE2 4.07Å; L376-F493 HydrophobicContact CD2-CG 4.45Å; L376-F493 HydrophobicContact CG-CD2 4.39Å; L376-F493 HydrophobicContact CG-CE2 4.48Å; L376-F493 WeakPolarHBondContact O-CD2 3.33Å; L379-F493 HydrophobicContact CB-CB 4.02Å; L379-F493 HydrophobicContact CD1-CB 4.19Å; L380-F493 HydrophobicContact CD1-CD2 4.07Å; L380-F493 HydrophobicContact CD1-CE1 4.4Å; L380-F493 HydrophobicContact CD1-CE2 3.49Å; L380-F493 VanDerWaalsContact CD1-CE2 3.49Å; L380-F493 HydrophobicContact CD1-CZ 3.69Å; L380-F493 HydrophobicContact CD2-CD1 3.76Å; L380-F493 HydrophobicContact CD2-CD2 3.94Å; L380-F493 HydrophobicContact CD2-CE1 3.85Å; L380-F493 HydrophobicContact CD2-CE2 4.01Å; L380-F493 HydrophobicContact CD2-CG 3.82Å; L380-F493 HydrophobicContact CD2-CZ 3.97Å; L380-F493 HydrophobicContact CG-CD1 4.35Å; L380-F493 HydrophobicContact CG-CD2 3.6Å; L380-F493 HydrophobicContact CG-CE1 4.35Å; L380-F493 HydrophobicContact CG-CE2 3.58Å; L380-F493 HydrophobicContact CG-CG 4.01Å; L380-F493 HydrophobicContact CG-CZ 3.98Å; S489-F493 PolarHBondContact O-N 3.47Å; S489-F493 VanDerWaalsContact O-N 3.11Å; L490-F493 HydrophobicContact CD1-CD1 4.39Å; L490-F493 WeakPolarHBondContact O-CB 3.49Å; L490-F493 PolarHBondContact O-N 3.08Å; F491-F493 VanDerWaalsContact C-N 3.3Å; F491-F493 PolarHBondContact O-N 3.31Å; F493-L495 VanDerWaalsContact C-N 3.31Å; F493-L495 PolarHBondContact O-N 3.04Å; F493-V496 PolarHBondContact O-N 3.15Å; F493-V497 HydrophobicContact CD1-CG2 4.31Å; F493-V497 HydrophobicContact CD2-CG2 4.21Å; F493-V497 HydrophobicContact CE1-CG2 3.89Å; F493-V497 HydrophobicContact CE2-CG2 3.8Å; F493-V497 HydrophobicContact CG-CG2 4.45Å; F493-V497 HydrophobicContact CZ-CG2 3.62Å; F493-V497 WeakPolarHBondContact O-CG2 3.21Å; F493-V497 PolarHBondContact O-N 3.02Å
494L97.9Very high96.2Very high91 Ų9156.7 Ų56.748%0.47627%0.27SS..Hα-helixtrans-61.5-38.9-178.7-69.4174.8000112.2L490 F491 V496 V497 M498L490-L494 HydrophobicContact CG-CD1 4.38Å; L490-L494 WeakPolarHBondContact O-CG 3.24Å; L490-L494 PolarHBondContact O-N 3.36Å; F491-L494 PolarHBondContact O-N 2.92Å; L494-V496 PolarHBondContact O-N 3.01Å; L494-V497 PolarHBondContact O-N 3.39Å; L494-M498 VanDerWaalsContact O-CB 3.23Å; L494-M498 WeakPolarHBondContact O-CB 3.41Å; L494-M498 PolarHBondContact O-N 3.03Å
495L97.3Very high96Very high31 Ų3157.6 Ų57.616%0.16228%0.275CS..Hα-helixtrans-59.2-46.3176.6-77.6176.1000112.2I266 F491 F493 M498 K499I266-L495 HydrophobicContact CD1-CD1 3.47Å; I266-L495 VanDerWaalsContact CD1-CD1 3.47Å; F491-L495 HydrophobicContact CD1-CD1 3.82Å; F491-L495 HydrophobicContact CD1-CG 4.31Å; F491-L495 HydrophobicContact CE1-CD1 3.47Å; F491-L495 VanDerWaalsContact CE1-CD1 3.47Å; F491-L495 HydrophobicContact CE1-CD2 4.34Å; F491-L495 HydrophobicContact CE1-CG 4Å; F491-L495 HydrophobicContact CE2-CD2 4.21Å; F491-L495 HydrophobicContact CE2-CG 4.2Å; F491-L495 HydrophobicContact CZ-CD1 3.87Å; F491-L495 HydrophobicContact CZ-CD2 3.86Å; F491-L495 HydrophobicContact CZ-CG 3.93Å; F491-L495 WeakPolarHBondContact O-CB 3.38Å; F491-L495 VanDerWaalsContact O-CG 3.31Å; F491-L495 WeakPolarHBondContact O-CG 3.34Å; F491-L495 PolarHBondContact O-N 2.63Å; F493-L495 VanDerWaalsContact C-N 3.31Å; F493-L495 PolarHBondContact O-N 3.04Å; L495-M498 HydrophobicContact CD2-CE 4.47Å; L495-K499 WeakPolarHBondContact O-CB 3.17Å; L495-K499 PolarHBondContact O-N 2.87Å; L495-K499 VanDerWaalsContact O-N 3.11Å
496V96Very high95.8Very high7 Ų762.1 Ų62.14%0.04230%0.298CS..Hα-helixtrans-70-42.9179.9176.30000110.9A263 L372 F375 L376 A492 F493 L494 M498 K499 E500A263-V496 HydrophobicContact CB-CG2 3.4Å; A263-V496 VanDerWaalsContact CB-CG2 3.4Å; L372-V496 HydrophobicContact CD1-CG1 3.81Å; L372-V496 HydrophobicContact CG-CG1 4.47Å; F375-V496 HydrophobicContact CE1-CG2 4.4Å; L376-V496 HydrophobicContact CD2-CB 3.81Å; L376-V496 HydrophobicContact CD2-CG1 3.72Å; L376-V496 HydrophobicContact CG-CG1 4.38Å; A492-V496 WeakPolarHBondContact O-CG2 3.47Å; A492-V496 PolarHBondContact O-N 3.21Å; F493-V496 PolarHBondContact O-N 3.15Å; L494-V496 PolarHBondContact O-N 3.01Å; V496-M498 PolarHBondContact O-N 3.4Å; V496-K499 PolarHBondContact O-N 3.21Å; V496-E500 PolarHBondContact O-N 3.4Å
497V96.4Very high95.3Very high40 Ų4068 Ų6824%0.24232%0.322CS..Hα-helixtrans-60.2-46.3176.3169.90000111.2L376 F493 L494 K499 E500 I501L376-V497 HydrophobicContact CD1-CG2 4.15Å; L376-V497 HydrophobicContact CD2-CG2 4.02Å; F493-V497 HydrophobicContact CD1-CG2 4.31Å; F493-V497 HydrophobicContact CD2-CG2 4.21Å; F493-V497 HydrophobicContact CE1-CG2 3.89Å; F493-V497 HydrophobicContact CE2-CG2 3.8Å; F493-V497 HydrophobicContact CG-CG2 4.45Å; F493-V497 HydrophobicContact CZ-CG2 3.62Å; F493-V497 WeakPolarHBondContact O-CG2 3.21Å; F493-V497 PolarHBondContact O-N 3.02Å; L494-V497 PolarHBondContact O-N 3.39Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.44Å; V497-E500 PolarHBondContact O-N 3.41Å; V497-E500 VanDerWaalsContact O-N 3.16Å; V497-I501 HydrophobicContact CG1-CD1 3.68Å; V497-I501 HydrophobicContact CG1-CG1 4.31Å; V497-I501 VanDerWaalsContact O-CG1 3.32Å; V497-I501 WeakPolarHBondContact O-CG1 3.28Å; V497-I501 PolarHBondContact O-N 3.26Å
498M96Very high94.9Very high114 Ų11469.4 Ų69.456%0.56232%0.324SS*.Hα-helixtrans-59.3-42177.4-175.7-178.272.600111.3L494 L495 V496 I501 F502L494-M498 VanDerWaalsContact O-CB 3.23Å; L494-M498 WeakPolarHBondContact O-CB 3.41Å; L494-M498 PolarHBondContact O-N 3.03Å; L495-M498 HydrophobicContact CD2-CE 4.47Å; V496-M498 PolarHBondContact O-N 3.4Å; M498-I501 PolarHBondContact O-N 2.98Å; M498-F502 WeakPolarHBondContact O-CB 3.45Å; M498-F502 PolarHBondContact O-N 2.83Å
499K94.9Very high94.5Very high16 Ų1669.9 Ų69.97%0.0733%0.331CS..Hα-helixtrans-63.7-40.8175.6174.4-94.4169.3-1780112.4N256 F259 L495 V496 V497 T503N256-K499 VanDerWaalsContact OD1-CE 3.22Å; N256-K499 WeakPolarHBondContact OD1-CE 3.37Å; N256-K499 PolarHBondContact OD1-NZ 3.28Å; F259-K499 HydrophobicContact CB-CG 4.26Å; F259-K499 HydrophobicContact CD1-CB 3.69Å; F259-K499 HydrophobicContact CD1-CG 3.87Å; F259-K499 HydrophobicContact CD2-CG 4.07Å; F259-K499 HydrophobicContact CE1-CB 3.89Å; F259-K499 HydrophobicContact CE1-CG 4.18Å; F259-K499 HydrophobicContact CE2-CG 4.36Å; F259-K499 HydrophobicContact CG-CB 4.16Å; F259-K499 HydrophobicContact CG-CG 3.8Å; F259-K499 HydrophobicContact CZ-CB 4.5Å; F259-K499 HydrophobicContact CZ-CG 4.4Å; L495-K499 WeakPolarHBondContact O-CB 3.17Å; L495-K499 PolarHBondContact O-N 2.87Å; L495-K499 VanDerWaalsContact O-N 3.11Å; V496-K499 PolarHBondContact O-N 3.21Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.44Å; K499-T503 WeakPolarHBondContact O-CB 3.27Å; K499-T503 PolarHBondContact O-N 3.47Å; K499-T503 PolarHBondContact O-OG1 2.81Å
500E93.5Very high93.9Very high37 Ų3773.5 Ų73.517%0.17335%0.353CS..Hα-helixtrans-67.4-42.9176.8-72.4-54.7130.200111.8Q369 L372 V496 V497 F502 T503 W504Q369-E500 PolarHBondContact NE2-OE2 3.23Å; L372-E500 HydrophobicContact CD2-CG 3.82Å; V496-E500 PolarHBondContact O-N 3.4Å; V497-E500 PolarHBondContact O-N 3.41Å; V497-E500 VanDerWaalsContact O-N 3.16Å; E500-F502 PolarHBondContact O-N 3.46Å; E500-T503 PolarHBondContact O-N 3.01Å; E500-W504 WeakPolarHBondContact O-CB 3.28Å; E500-W504 PolarHBondContact O-N 3.04Å
501I94.1Very high93.3Very high90 Ų9076.7 Ų76.746%0.46237%0.37SS..Hα-helixtrans-59.9-47.9175.3-68.1169000110.3V497 M498 T503 W504 L505V497-I501 HydrophobicContact CG1-CD1 3.68Å; V497-I501 HydrophobicContact CG1-CG1 4.31Å; V497-I501 VanDerWaalsContact O-CG1 3.32Å; V497-I501 WeakPolarHBondContact O-CG1 3.28Å; V497-I501 PolarHBondContact O-N 3.26Å; M498-I501 PolarHBondContact O-N 2.98Å; I501-T503 VanDerWaalsContact C-N 3.34Å; I501-T503 PolarHBondContact O-N 3.2Å; I501-W504 PolarHBondContact O-N 2.96Å; I501-L505 HydrophobicContact CG2-CD1 3.98Å; I501-L505 HydrophobicContact CG2-CG 4.36Å; I501-L505 WeakPolarHBondContact O-CG 3.46Å; I501-L505 PolarHBondContact O-N 3.36Å
502F94.5Very high92.5Very high130 Ų13074.4 Ų74.457%0.5737%0.367SS*.Hα-helixtrans-59.5-45.1177.5-178.6-97.3000111.8M498 E500 W504 L505 M506M498-F502 WeakPolarHBondContact O-CB 3.45Å; M498-F502 PolarHBondContact O-N 2.83Å; E500-F502 PolarHBondContact O-N 3.46Å; F502-W504 VanDerWaalsContact C-N 3.31Å; F502-W504 PolarHBondContact O-N 3.12Å; F502-L505 PolarHBondContact O-N 2.86Å; F502-M506 HydrophobicContact CD1-CG 4.21Å; F502-M506 HydrophobicContact CE1-CG 3.77Å; F502-M506 HydrophobicContact CE2-CG 4.31Å; F502-M506 HydrophobicContact CE2-SD 4.5Å; F502-M506 HydrophobicContact CZ-CG 3.83Å; F502-M506 HydrophobicContact CZ-SD 4.09Å; F502-M506 WeakPolarHBondContact O-CG 3.31Å; F502-M506 PolarHBondContact O-N 3.38Å
503T92Very high91.7Very high38 Ų3877.4 Ų77.423%0.23339%0.393CS..Hα-helixtrans-61.8-39.8177.3-56.10000111.7K499 E500 I501 K507K499-T503 WeakPolarHBondContact O-CB 3.27Å; K499-T503 PolarHBondContact O-N 3.47Å; K499-T503 PolarHBondContact O-OG1 2.81Å; E500-T503 PolarHBondContact O-N 3.01Å; I501-T503 VanDerWaalsContact C-N 3.34Å; I501-T503 PolarHBondContact O-N 3.2Å; T503-K507 WeakPolarHBondContact O-CG 3.45Å; T503-K507 PolarHBondContact O-N 2.97Å; T503-K507 VanDerWaalsContact O-N 3.13Å
504W90.3Very high90.9Very high146 Ų14682.1 Ų82.155%0.55342%0.419SS*.Hα-helixtrans-66.1-44.7176.3176.583.5000112.1E500 I501 F502 M506 K507 R508E500-W504 WeakPolarHBondContact O-CB 3.28Å; E500-W504 PolarHBondContact O-N 3.04Å; I501-W504 PolarHBondContact O-N 2.96Å; F502-W504 VanDerWaalsContact C-N 3.31Å; F502-W504 PolarHBondContact O-N 3.12Å; W504-M506 PolarHBondContact O-N 3.33Å; W504-K507 PolarHBondContact O-N 3.23Å; W504-R508 PolarHBondContact O-N 3.46Å
505L93.2Very high89.8Confident88 Ų8882.3 Ų82.346%0.46143%0.428SS..Hα-helixtrans-59.9-45.8176.8-72.1172.6000111.7I501 F502 K507 R508 S509I501-L505 HydrophobicContact CG2-CD1 3.98Å; I501-L505 HydrophobicContact CG2-CG 4.36Å; I501-L505 WeakPolarHBondContact O-CG 3.46Å; I501-L505 PolarHBondContact O-N 3.36Å; F502-L505 PolarHBondContact O-N 2.86Å; L505-K507 PolarHBondContact O-N 2.89Å; L505-R508 WeakPolarHBondContact O-CB 3.32Å; L505-R508 PolarHBondContact O-N 3.25Å; L505-S509 PolarHBondContact O-N 2.83Å; L505-S509 PolarHBondContact O-OG 3.48Å
506M91.7Very high88.2Confident95 Ų9589.8 Ų89.847%0.46847%0.469SS..Hα-helixtrans-63.1-40.1178.1-72-61.5-63.200112.7F502 W504 R508 S509 T510F502-M506 HydrophobicContact CD1-CG 4.21Å; F502-M506 HydrophobicContact CE1-CG 3.77Å; F502-M506 HydrophobicContact CE2-CG 4.31Å; F502-M506 HydrophobicContact CE2-SD 4.5Å; F502-M506 HydrophobicContact CZ-CG 3.83Å; F502-M506 HydrophobicContact CZ-SD 4.09Å; F502-M506 WeakPolarHBondContact O-CG 3.31Å; F502-M506 PolarHBondContact O-N 3.38Å; W504-M506 PolarHBondContact O-N 3.33Å; M506-R508 VanDerWaalsContact C-N 3.31Å; M506-R508 PolarHBondContact O-N 3.06Å; M506-S509 WeakPolarHBondContact CA-OG 3.4Å; M506-S509 PolarHBondContact O-N 3.38Å; M506-S509 PolarHBondContact O-OG 3.49Å; M506-T510 WeakPolarHBondContact O-CG2 3.14Å; M506-T510 PolarHBondContact O-N 2.7Å; M506-T510 VanDerWaalsContact O-N 3.09Å; M506-T510 PolarHBondContact O-OG1 3.46Å
507K89.4Confident87.8Confident126 Ų12694 Ų9455%0.54849%0.49SS..Hα-helixtrans-64.1-39.3175-76175.2-178.5175.50111.7T503 W504 L505 T510 L511T503-K507 WeakPolarHBondContact O-CG 3.45Å; T503-K507 PolarHBondContact O-N 2.97Å; T503-K507 VanDerWaalsContact O-N 3.13Å; W504-K507 PolarHBondContact O-N 3.23Å; L505-K507 PolarHBondContact O-N 2.89Å; K507-T510 WeakPolarHBondContact CA-OG1 3.32Å; K507-T510 PolarHBondContact O-N 3.25Å; K507-T510 PolarHBondContact O-OG1 3.37Å; K507-L511 WeakPolarHBondContact O-CG 3.2Å; K507-L511 PolarHBondContact O-N 3.46Å
508R87.9Confident87.3Confident159 Ų15996.8 Ų96.860%0.650%0.503SS*.Hα-helixtrans-65.2-43.6178.1-171.1176.5178.1178.8-1.3111.4W504 L505 M506 T510 L511 S512W504-R508 PolarHBondContact O-N 3.46Å; L505-R508 WeakPolarHBondContact O-CB 3.32Å; L505-R508 PolarHBondContact O-N 3.25Å; M506-R508 VanDerWaalsContact C-N 3.31Å; M506-R508 PolarHBondContact O-N 3.06Å; R508-T510 PolarHBondContact O-N 3.45Å; R508-L511 PolarHBondContact O-N 3.5Å; R508-S512 PolarHBondContact O-N 3.31Å; R508-S512 PolarHBondContact O-OG 3.5Å
509S89.2Confident86.8Confident56 Ų5695.8 Ų95.839%0.39250%0.5SS..Hα-helixtrans-65.5-36.3177.760.70000112.9L505 M506 S512 A513L505-S509 PolarHBondContact O-N 2.83Å; L505-S509 PolarHBondContact O-OG 3.48Å; M506-S509 WeakPolarHBondContact CA-OG 3.4Å; M506-S509 PolarHBondContact O-N 3.38Å; M506-S509 PolarHBondContact O-OG 3.49Å; S509-S512 WeakPolarHBondContact CA-OG 3.22Å; S509-S512 PolarHBondContact O-OG 3.36Å; S509-A513 WeakPolarHBondContact O-CB 2.81Å; S509-A513 PolarHBondContact O-N 3.42Å
510T86.2Confident86.4Confident75 Ų75100.5 Ų100.546%0.4653%0.525SS..Hα-helixtrans-69.3-33.6174.751.90000112.8M506 K507 R508 N514M506-T510 WeakPolarHBondContact O-CG2 3.14Å; M506-T510 PolarHBondContact O-N 2.7Å; M506-T510 VanDerWaalsContact O-N 3.09Å; M506-T510 PolarHBondContact O-OG1 3.46Å; K507-T510 WeakPolarHBondContact CA-OG1 3.32Å; K507-T510 PolarHBondContact O-N 3.25Å; K507-T510 PolarHBondContact O-OG1 3.37Å; R508-T510 PolarHBondContact O-N 3.45Å; T510-N514 PolarHBondContact O-N 3.23Å
511L84Confident85.9Confident124 Ų124104.5 Ų104.565%0.64955%0.547SS*.Hα-helixtrans-70.7-41.3177.3-76.3167.4000111.5K507 R508 A513 N514 S515K507-L511 WeakPolarHBondContact O-CG 3.2Å; K507-L511 PolarHBondContact O-N 3.46Å; R508-L511 PolarHBondContact O-N 3.5Å; L511-A513 VanDerWaalsContact C-N 3.33Å; L511-N514 PolarHBondContact O-N 3.46Å; L511-S515 PolarHBondContact O-N 3.19Å; L511-S515 PolarHBondContact O-OG 3.13Å
512S82.6Confident85.4Confident60 Ų60105.5 Ų105.542%0.4255%0.553SS.*Hα-helixtrans-64.8-37.8173.954.60000112.1R508 S509 N514 S515 D516R508-S512 PolarHBondContact O-N 3.31Å; R508-S512 PolarHBondContact O-OG 3.5Å; S509-S512 WeakPolarHBondContact CA-OG 3.22Å; S509-S512 PolarHBondContact O-OG 3.36Å; S512-N514 VanDerWaalsContact C-N 3.27Å; S512-N514 PolarHBondContact O-N 3.27Å; S512-S515 WeakPolarHBondContact CA-OG 2.99Å; S512-S515 PolarHBondContact O-N 3.29Å; S512-S515 PolarHBondContact O-OG 3.1Å; S512-D516 PolarHBondContact O-N 3.28Å
513A80.3Confident84.7Confident64 Ų64103.7 Ų103.753%0.52955%0.551SS.*Hα-helixtrans-70.1-20.8178.400000114.1S509 L511S509-A513 WeakPolarHBondContact O-CB 2.81Å; S509-A513 PolarHBondContact O-N 3.42Å; L511-A513 VanDerWaalsContact C-N 3.33Å
514N80.8Confident84.2Confident137 Ų137108.8 Ų108.873%0.73358%0.576SS**Hα-helixtrans-94.1-11.6176.2-72.9-8.6000113T510 L511 S512T510-N514 PolarHBondContact O-N 3.23Å; L511-N514 PolarHBondContact O-N 3.46Å; S512-N514 VanDerWaalsContact C-N 3.27Å; S512-N514 PolarHBondContact O-N 3.27Å
515S75.6Confident83.7Confident95 Ų95105.7 Ų105.766%0.66458%0.578SS**Hα-helixtrans-89.4-21.2176.457.50000113.6L511 S512L511-S515 PolarHBondContact O-N 3.19Å; L511-S515 PolarHBondContact O-OG 3.13Å; S512-S515 WeakPolarHBondContact CA-OG 2.99Å; S512-S515 PolarHBondContact O-N 3.29Å; S512-S515 PolarHBondContact O-OG 3.1Å
516D63.3Low82.8Confident189 Ų189107.3 Ų107.3100%1.01159%0.588SS**  trans-86.80169.4-61.7-19.5000109.8S512S512-D516 PolarHBondContact O-N 3.28Å

Retrieved 516 of 516 residues in 579.6 ms (Link to these results)

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