A0A077ZHX3_TRITR Loading...

Integrator complex subunit 1 INTS2-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 993 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
1M80.7Confident76.7Confident87 Ų8779.1 Ų79.143%0.42938%0.384SS..  0-60.70-137.9-176-81.800110.8Y4 L5 M15 F19 F36 F40 M65M1-Y4 PolarHBondContact O-N 3.46Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-M15 HydrophobicContact CB-CE 4.2Å; M1-M15 HydrophobicContact CG-CE 3.17Å; M1-M15 HydrophobicContact SD-CE 4.35Å; M1-F19 HydrophobicContact CE-CD2 3.69Å; M1-F19 HydrophobicContact CE-CE2 4.09Å; M1-F19 HydrophobicContact CE-CG 4.19Å; M1-F36 HydrophobicContact CE-CE2 3.84Å; M1-F36 HydrophobicContact CE-CZ 4.31Å; M1-F36 HydrophobicContact SD-CE2 4.12Å; M1-F36 HydrophobicContact SD-CZ 4.08Å; M1-F40 HydrophobicContact CB-CE2 4.24Å; M1-F40 HydrophobicContact CG-CE2 4.4Å; M1-F40 HydrophobicContact SD-CD2 4.44Å; M1-F40 HydrophobicContact SD-CE2 4.14Å; M1-M65 HydrophobicContact SD-CE 3.55Å; M1-M65 VanDerWaalsContact SD-CE 3.55Å
2V82.6Confident77.1Confident12 Ų1275.4 Ų75.47%0.07337%0.367CS..Hα-helixtrans-54.2-54.4177.71730000112.7Y4 L5 F6 F40 A43 A44 A47V2-Y4 PolarHBondContact O-N 3.21Å; V2-Y4 VanDerWaalsContact O-N 3.11Å; V2-L5 WeakPolarHBondContact O-CB 3.37Å; V2-L5 PolarHBondContact O-N 2.73Å; V2-F6 HydrophobicContact CG1-CD2 3.8Å; V2-F6 HydrophobicContact CG1-CE2 3.63Å; V2-F6 VanDerWaalsContact O-CD2 3.23Å; V2-F6 WeakPolarHBondContact O-CD2 3.2Å; V2-F6 PolarHBondContact O-N 3.48Å; V2-F6 VanDerWaalsContact O-N 3.13Å; V2-F40 HydrophobicContact CG2-CD2 3.72Å; V2-F40 HydrophobicContact CG2-CE2 3.73Å; V2-A43 HydrophobicContact CB-CB 4.43Å; V2-A43 HydrophobicContact CG2-CB 3.87Å; V2-A44 HydrophobicContact CG1-CB 4.35Å; V2-A44 HydrophobicContact CG2-CB 4.2Å; V2-A47 HydrophobicContact CG1-CB 3.64Å
3E81.3Confident77.5Confident154 Ų15483.7 Ų83.772%0.7239%0.392SS*.Hα-helixtrans-51.5-41.5-179.8-65.7176.7166.800112.8L5 F6 M7E3-L5 PolarHBondContact O-N 2.84Å; E3-F6 PolarHBondContact O-N 3.49Å; E3-M7 VanDerWaalsContact O-CG 3.29Å; E3-M7 WeakPolarHBondContact O-CG 3.27Å; E3-M7 PolarHBondContact O-N 3.41Å
4Y81.3Confident78Confident73 Ų7385 Ų8529%0.28640%0.401SS..Hα-helixtrans-67.1-37.8179.2-162.2-106.1000113.1M1 V2 F6 M7 K8 C11 M15M1-Y4 PolarHBondContact O-N 3.46Å; V2-Y4 PolarHBondContact O-N 3.21Å; V2-Y4 VanDerWaalsContact O-N 3.11Å; Y4-F6 PolarHBondContact O-N 3.47Å; Y4-M7 PolarHBondContact O-N 2.89Å; Y4-K8 HydrophobicContact CE2-CD 3.93Å; Y4-K8 PolarHBondContact OH-NZ 2.78Å; Y4-C11 HydrophobicContact CD1-CB 3.66Å; Y4-C11 HydrophobicContact CE1-CB 3.32Å; Y4-C11 WeakPolarHBondContact CE1-SG 3.3Å; Y4-C11 PolarHBondContact OH-SG 3.16Å; Y4-C11 VanDerWaalsContact OH-SG 3.42Å; Y4-M15 HydrophobicContact CD1-CG 3.64Å; Y4-M15 HydrophobicContact CD1-SD 3.35Å; Y4-M15 WeakPolarHBondContact CD1-SD 3.31Å; Y4-M15 HydrophobicContact CE1-CG 4.09Å; Y4-M15 HydrophobicContact CE1-SD 3.84Å; Y4-M15 HydrophobicContact CG-SD 4.14Å
5L79.9Confident78.5Confident1 Ų180.3 Ų80.31%0.00538%0.379CS..Hα-helixtrans-64.6-29.8174.5-68174.5000112M1 V2 E3 L12 M15 F40 C61 L62 M65M1-L5 PolarHBondContact O-N 3.38Å; V2-L5 WeakPolarHBondContact O-CB 3.37Å; V2-L5 PolarHBondContact O-N 2.73Å; E3-L5 PolarHBondContact O-N 2.84Å; L5-L12 HydrophobicContact CD2-CD1 4.46Å; L5-M15 HydrophobicContact CD2-CG 4.3Å; L5-F40 HydrophobicContact CD1-CE2 4.1Å; L5-F40 HydrophobicContact CD1-CZ 3.79Å; L5-C61 HydrophobicContact CD1-CB 4.47Å; L5-C61 HydrophobicContact CD2-CB 4.11Å; L5-L62 HydrophobicContact CD1-CD2 4.49Å; L5-M65 HydrophobicContact CD1-CG 4.35Å
6F78.1Confident79.1Confident34 Ų3475.8 Ų75.815%0.14936%0.358CS..Hα-helixtrans-83.6-18.8-179.3-83.8-109.3000113.9V2 E3 Y4 A47 F48 I58V2-F6 HydrophobicContact CG1-CD2 3.8Å; V2-F6 HydrophobicContact CG1-CE2 3.63Å; V2-F6 VanDerWaalsContact O-CD2 3.23Å; V2-F6 WeakPolarHBondContact O-CD2 3.2Å; V2-F6 PolarHBondContact O-N 3.48Å; V2-F6 VanDerWaalsContact O-N 3.13Å; E3-F6 PolarHBondContact O-N 3.49Å; Y4-F6 PolarHBondContact O-N 3.47Å; F6-A47 HydrophobicContact CE1-CB 4.4Å; F6-A47 WeakPolarHBondContact CE1-O 2.96Å; F6-A47 HydrophobicContact CE2-CB 4.38Å; F6-A47 HydrophobicContact CZ-CB 4.21Å; F6-F48 HydrophobicContact CE1-CB 4.35Å; F6-F48 AromaticContact CE1-CD2 3.95Å; F6-F48 HydrophobicContact CE1-CD2 3.95Å; F6-F48 HydrophobicContact CZ-CB 4.26Å; F6-F48 HydrophobicContact CZ-CD2 4.05Å; F6-I58 HydrophobicContact CD1-CD1 3.54Å; F6-I58 HydrophobicContact CD1-CG1 4.37Å; F6-I58 HydrophobicContact CD2-CD1 4.39Å; F6-I58 HydrophobicContact CD2-CG1 4.38Å; F6-I58 HydrophobicContact CD2-CG2 4.1Å; F6-I58 HydrophobicContact CE1-CD1 3.58Å; F6-I58 HydrophobicContact CE1-CG1 4.39Å; F6-I58 HydrophobicContact CE1-CG2 4.02Å; F6-I58 HydrophobicContact CE2-CD1 4.49Å; F6-I58 HydrophobicContact CE2-CG1 4.47Å; F6-I58 HydrophobicContact CE2-CG2 3.42Å; F6-I58 VanDerWaalsContact CE2-CG2 3.42Å; F6-I58 HydrophobicContact CG-CD1 3.99Å; F6-I58 HydrophobicContact CG-CG1 4.38Å; F6-I58 HydrophobicContact CZ-CD1 4.14Å; F6-I58 HydrophobicContact CZ-CG2 3.4Å; F6-I58 VanDerWaalsContact CZ-CG2 3.4Å
7M75.6Confident79.5Confident153 Ų15373.8 Ų73.875%0.75436%0.357SS*.Hα-helixtrans-96.2-27.3-172.4-73.9-178.778.500115.8E3 Y4E3-M7 VanDerWaalsContact O-CG 3.29Å; E3-M7 WeakPolarHBondContact O-CG 3.27Å; E3-M7 PolarHBondContact O-N 3.41Å; Y4-M7 PolarHBondContact O-N 2.89Å
8K68.8Low80Confident106 Ų10674.5 Ų74.546%0.46136%0.362SS..  trans-135.5137.4-165.8-75-172.4177.5-176.10114.4Y4 C11 R57Y4-K8 HydrophobicContact CE2-CD 3.93Å; Y4-K8 PolarHBondContact OH-NZ 2.78Å; K8-C11 HydrophobicContact CB-CB 4.32Å; K8-C11 WeakPolarHBondContact CB-SG 3.45Å; K8-C11 WeakPolarHBondContact CD-SG 3.41Å; K8-R57 VanDerWaalsContact C-NH1 3.32Å; K8-R57 PolarHBondContact O-NH1 2.96Å; K8-R57 PolarHBondContact O-NH2 3.34Å
9D65.8Low80.5Confident93 Ų9371 Ų7150%0.49735%0.345SS..THydrogen-bonded Turntrans-23.6-69.9160.716.1-94.5000118.4L54 R57D9-L54 WeakPolarHBondContact OD1-CD2 3.4Å; D9-R57 VanDerWaalsContact C-CZ 3.49Å; D9-R57 VanDerWaalsContact C-NH2 3.32Å; D9-R57 PolarHBondContact O-NE 2.96Å; D9-R57 PolarHBondContact O-NH1 3.44Å; D9-R57 PolarHBondContact O-NH2 3.18Å; D9-R57 IonicContact OD1-CZ 2.7Å; D9-R57 IonicContact OD1-NH1 3.72Å; D9-R57 PolarHBondContact OD1-NH1 2.86Å
10D71.6Confident80.9Confident152 Ų15269.4 Ų69.481%0.81334%0.335SS*.THydrogen-bonded Turntrans-122.846.7-159.7-77.7-41000113
11C78.2Confident81.2Confident5 Ų572.9 Ų72.93%0.03435%0.351CS..  trans-97.4-16.6-171.8-74.20000115.2Y4 K8 R13 I14 M15Y4-C11 HydrophobicContact CD1-CB 3.66Å; Y4-C11 HydrophobicContact CE1-CB 3.32Å; Y4-C11 WeakPolarHBondContact CE1-SG 3.3Å; Y4-C11 PolarHBondContact OH-SG 3.16Å; Y4-C11 VanDerWaalsContact OH-SG 3.42Å; K8-C11 HydrophobicContact CB-CB 4.32Å; K8-C11 WeakPolarHBondContact CB-SG 3.45Å; K8-C11 WeakPolarHBondContact CD-SG 3.41Å; C11-R13 PolarHBondContact O-N 3.05Å; C11-I14 PolarHBondContact O-N 2.95Å; C11-M15 WeakPolarHBondContact O-CB 3.29Å; C11-M15 VanDerWaalsContact O-CG 3.27Å; C11-M15 WeakPolarHBondContact O-CG 3.42Å; C11-M15 PolarHBondContact O-N 3.16Å
12L81Confident81.6Confident35 Ų3571.6 Ų71.618%0.18335%0.348CS..Hα-helixtrans-59-44.7-173.6-175.963000112.5L5 I14 M15 K16 C61 D64 M65L5-L12 HydrophobicContact CD2-CD1 4.46Å; L12-I14 PolarHBondContact O-N 3.43Å; L12-M15 PolarHBondContact O-N 3.18Å; L12-K16 HydrophobicContact CD1-CD 4.43Å; L12-K16 HydrophobicContact CD1-CG 4.28Å; L12-K16 HydrophobicContact CG-CD 4.18Å; L12-K16 HydrophobicContact CG-CG 4.42Å; L12-K16 WeakPolarHBondContact O-CB 3.29Å; L12-K16 VanDerWaalsContact O-CG 3.26Å; L12-K16 WeakPolarHBondContact O-CG 3.35Å; L12-K16 PolarHBondContact O-N 2.8Å; L12-C61 HydrophobicContact CD1-CB 4.07Å; L12-D64 HydrophobicContact CD1-CB 4.4Å; L12-D64 HydrophobicContact CD2-CB 4.32Å; L12-M65 HydrophobicContact CD1-CG 4.17Å; L12-M65 HydrophobicContact CD1-SD 4.12Å
13R82.5Confident81.8Confident183 Ų18371.1 Ų71.169%0.69135%0.345SS*.Hα-helixtrans-60.7-45.4179.4-177.5175.5-179.6-177.11.1112.2C11 K16 A17 D147C11-R13 PolarHBondContact O-N 3.05Å; R13-K16 PolarHBondContact O-N 2.65Å; R13-A17 PolarHBondContact O-N 3.07Å; R13-A17 VanDerWaalsContact O-N 3.1Å; R13-D147 HydrophobicContact CG-CB 4.22Å
14I84.3Confident81.9Confident102 Ų10268.5 Ų68.552%0.52333%0.328SS..Hα-helixtrans-66.2-43.3179.1-60.2172.3000109.9C11 L12 A17 L18C11-I14 PolarHBondContact O-N 2.95Å; L12-I14 PolarHBondContact O-N 3.43Å; I14-A17 PolarHBondContact O-N 2.88Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 PolarHBondContact O-N 2.7Å
15M85.9Confident81.8Confident15 Ų1567.5 Ų67.57%0.07434%0.34CS..Hα-helixtrans-64.1-41.4178.5-71.5-51.7-60.500112.7M1 Y4 L5 C11 L12 F19M1-M15 HydrophobicContact CB-CE 4.2Å; M1-M15 HydrophobicContact CG-CE 3.17Å; M1-M15 HydrophobicContact SD-CE 4.35Å; Y4-M15 HydrophobicContact CD1-CG 3.64Å; Y4-M15 HydrophobicContact CD1-SD 3.35Å; Y4-M15 WeakPolarHBondContact CD1-SD 3.31Å; Y4-M15 HydrophobicContact CE1-CG 4.09Å; Y4-M15 HydrophobicContact CE1-SD 3.84Å; Y4-M15 HydrophobicContact CG-SD 4.14Å; L5-M15 HydrophobicContact CD2-CG 4.3Å; C11-M15 WeakPolarHBondContact O-CB 3.29Å; C11-M15 VanDerWaalsContact O-CG 3.27Å; C11-M15 WeakPolarHBondContact O-CG 3.42Å; C11-M15 PolarHBondContact O-N 3.16Å; L12-M15 PolarHBondContact O-N 3.18Å; M15-F19 WeakPolarHBondContact O-CB 3.38Å; M15-F19 PolarHBondContact O-N 2.97Å
16K87.5Confident81.8Confident8 Ų872.8 Ų72.84%0.03537%0.372CS..Hα-helixtrans-59.8-48.2173.8-72.7-179.9175.3-168.10110.8L12 R13 F19 R20 D64 M65 I68L12-K16 HydrophobicContact CD1-CD 4.43Å; L12-K16 HydrophobicContact CD1-CG 4.28Å; L12-K16 HydrophobicContact CG-CD 4.18Å; L12-K16 HydrophobicContact CG-CG 4.42Å; L12-K16 WeakPolarHBondContact O-CB 3.29Å; L12-K16 VanDerWaalsContact O-CG 3.26Å; L12-K16 WeakPolarHBondContact O-CG 3.35Å; L12-K16 PolarHBondContact O-N 2.8Å; R13-K16 PolarHBondContact O-N 2.65Å; K16-F19 PolarHBondContact O-N 3.36Å; K16-R20 VanDerWaalsContact O-CG 3.31Å; K16-R20 WeakPolarHBondContact O-CG 3.49Å; K16-R20 PolarHBondContact O-N 3.34Å; K16-D64 IonicContact NZ-OD2 2.77Å; K16-D64 PolarHBondContact NZ-OD2 3.44Å; K16-M65 HydrophobicContact CG-SD 3.95Å; K16-I68 HydrophobicContact CB-CD1 4.13Å; K16-I68 HydrophobicContact CD-CD1 3.24Å; K16-I68 HydrophobicContact CG-CD1 3.4Å
17A86.2Confident81.9Confident41 Ų4174 Ų7434%0.33938%0.38SS..Hα-helixtrans-60.2-50.617900000112.3R13 I14 F19 R20 E21R13-A17 PolarHBondContact O-N 3.07Å; R13-A17 VanDerWaalsContact O-N 3.1Å; I14-A17 PolarHBondContact O-N 2.88Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3.4Å; A17-R20 PolarHBondContact O-N 2.94Å; A17-E21 PolarHBondContact O-N 3.35Å
18L88.8Confident81.9Confident87 Ų8773.4 Ų73.446%0.45537%0.373SS..Hα-helixtrans-59.8-44.6177.5178.464.9000111.6I14 R20 E21 V22I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 PolarHBondContact O-N 2.7Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.46Å; L18-E21 PolarHBondContact O-N 2.84Å; L18-V22 HydrophobicContact CD1-CG2 4.25Å; L18-V22 HydrophobicContact CG-CG2 4.42Å; L18-V22 WeakPolarHBondContact O-CG2 3.33Å; L18-V22 PolarHBondContact O-N 2.79Å
19F89.9Confident82Confident8 Ų873.5 Ų73.54%0.03538%0.379CS..Hα-helixtrans-63.3-41.3-179.5-177.3-139.9000111.9M1 M15 K16 A17 V22 V23 F31 F36 M65 I68 A69 L72M1-F19 HydrophobicContact CE-CD2 3.69Å; M1-F19 HydrophobicContact CE-CE2 4.09Å; M1-F19 HydrophobicContact CE-CG 4.19Å; M15-F19 WeakPolarHBondContact O-CB 3.38Å; M15-F19 PolarHBondContact O-N 2.97Å; K16-F19 PolarHBondContact O-N 3.36Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3.4Å; F19-V22 PolarHBondContact O-N 3.04Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE2-CG2 3.46Å; F19-V23 VanDerWaalsContact CE2-CG2 3.46Å; F19-V23 HydrophobicContact CZ-CG2 4.02Å; F19-V23 WeakPolarHBondContact O-CG2 3.33Å; F19-V23 PolarHBondContact O-N 2.67Å; F19-F31 HydrophobicContact CE2-CE2 4.15Å; F19-F31 HydrophobicContact CE2-CZ 4.21Å; F19-F31 HydrophobicContact CZ-CE1 4.49Å; F19-F31 HydrophobicContact CZ-CE2 4.12Å; F19-F31 AromaticContact CZ-CZ 3.72Å; F19-F31 HydrophobicContact CZ-CZ 3.72Å; F19-F36 HydrophobicContact CE1-CE1 4.18Å; F19-F36 AromaticContact CE1-CZ 3.95Å; F19-F36 HydrophobicContact CE1-CZ 3.95Å; F19-F36 HydrophobicContact CE2-CD2 4.26Å; F19-F36 AromaticContact CE2-CE2 3.75Å; F19-F36 HydrophobicContact CE2-CE2 3.75Å; F19-F36 AromaticContact CE2-CZ 3.94Å; F19-F36 HydrophobicContact CE2-CZ 3.94Å; F19-F36 HydrophobicContact CZ-CD1 4.24Å; F19-F36 HydrophobicContact CZ-CD2 4.23Å; F19-F36 AromaticContact CZ-CE1 3.74Å; F19-F36 HydrophobicContact CZ-CE1 3.74Å; F19-F36 AromaticContact CZ-CE2 3.72Å; F19-F36 HydrophobicContact CZ-CE2 3.72Å; F19-F36 HydrophobicContact CZ-CG 4.47Å; F19-F36 AromaticContact CZ-CZ 3.45Å; F19-F36 HydrophobicContact CZ-CZ 3.45Å; F19-F36 VanDerWaalsContact CZ-CZ 3.45Å; F19-M65 HydrophobicContact CB-CE 4Å; F19-M65 HydrophobicContact CD1-CE 3.5Å; F19-M65 HydrophobicContact CE1-CE 4.17Å; F19-M65 HydrophobicContact CG-CE 3.93Å; F19-I68 HydrophobicContact CD1-CG2 4.15Å; F19-I68 HydrophobicContact CE1-CG2 4.45Å; F19-A69 HydrophobicContact CE1-CB 3.79Å; F19-A69 HydrophobicContact CZ-CB 3.95Å; F19-L72 HydrophobicContact CD1-CD1 3.7Å; F19-L72 HydrophobicContact CE1-CD1 3.78Å; F19-L72 HydrophobicContact CG-CD1 4.19Å; F19-L72 HydrophobicContact CZ-CD1 4.31Å
20R88.5Confident82.6Confident39 Ų3977 Ų7715%0.14739%0.392CS..Hα-helixtrans-61-43.9173.3-68.6-168.6-64.4-103.33.2112.2K16 A17 L18 V23 R24 L72 D147K16-R20 VanDerWaalsContact O-CG 3.31Å; K16-R20 WeakPolarHBondContact O-CG 3.49Å; K16-R20 PolarHBondContact O-N 3.34Å; A17-R20 PolarHBondContact O-N 2.94Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.46Å; R20-V23 PolarHBondContact O-N 3.3Å; R20-R24 VanDerWaalsContact O-CB 3.28Å; R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.13Å; R20-R24 PolarHBondContact O-N 3.36Å; R20-L72 HydrophobicContact CB-CD1 4.5Å; R20-L72 HydrophobicContact CB-CD2 4.28Å; R20-L72 HydrophobicContact CG-CD1 4.02Å; R20-L72 HydrophobicContact CG-CD2 3.97Å; R20-L72 HydrophobicContact CG-CG 4.38Å; R20-D147 IonicContact CZ-OD2 3.79Å; R20-D147 IonicContact NH1-OD2 3.71Å; R20-D147 PolarHBondContact NH1-OD2 3.02Å; R20-D147 IonicContact NH2-OD2 3.71Å; R20-D147 PolarHBondContact NH2-OD2 3.17Å
21E87.2Confident83.4Confident143 Ų14370 Ų7067%0.66835%0.354SS*.Hα-helixtrans-62.2-44.5176.9-95.4-173.8155.600112A17 L18 G25A17-E21 PolarHBondContact O-N 3.35Å; L18-E21 PolarHBondContact O-N 2.84Å; E21-G25 VanDerWaalsContact O-CA 3.3Å; E21-G25 WeakPolarHBondContact O-CA 3.17Å; E21-G25 PolarHBondContact O-N 3.3Å
22V88.4Confident84Confident60 Ų6072.7 Ų72.736%0.36437%0.372SS..Iπ-helixtrans-62.7-47.6178171.90000110.5L18 F19 V26 L27L18-V22 HydrophobicContact CD1-CG2 4.25Å; L18-V22 HydrophobicContact CG-CG2 4.42Å; L18-V22 WeakPolarHBondContact O-CG2 3.33Å; L18-V22 PolarHBondContact O-N 2.79Å; F19-V22 PolarHBondContact O-N 3.04Å; V22-V26 WeakPolarHBondContact O-CA 3.47Å; V22-V26 VanDerWaalsContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CB 3.4Å; V22-V26 PolarHBondContact O-N 3.17Å; V22-L27 PolarHBondContact O-N 2.92Å
23V87Confident84.7Confident1 Ų171 Ų711%0.00636%0.363CS..Iπ-helixtrans-67.7-49.7-178.9176.60000111.1F19 R20 L27 K28 F31 L72F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE2-CG2 3.46Å; F19-V23 VanDerWaalsContact CE2-CG2 3.46Å; F19-V23 HydrophobicContact CZ-CG2 4.02Å; F19-V23 WeakPolarHBondContact O-CG2 3.33Å; F19-V23 PolarHBondContact O-N 2.67Å; R20-V23 PolarHBondContact O-N 3.3Å; V23-L27 HydrophobicContact CG2-CD1 4.45Å; V23-L27 CarbonylContact O-C 3.52Å; V23-L27 PolarHBondContact O-N 3.08Å; V23-K28 WeakPolarHBondContact O-CA 3.34Å; V23-K28 PolarHBondContact O-N 3.21Å; V23-F31 HydrophobicContact CG1-CB 3.88Å; V23-F31 HydrophobicContact CG1-CD1 4.08Å; V23-F31 HydrophobicContact CG1-CD2 4.45Å; V23-F31 HydrophobicContact CG1-CG 3.88Å; V23-F31 HydrophobicContact CG2-CD2 3.97Å; V23-F31 HydrophobicContact CG2-CE2 4.12Å; V23-F31 HydrophobicContact CG2-CG 4.19Å; V23-F31 HydrophobicContact CG2-CZ 4.47Å; V23-L72 HydrophobicContact CB-CB 4.39Å; V23-L72 HydrophobicContact CB-CD1 4.13Å; V23-L72 HydrophobicContact CB-CD2 4.45Å; V23-L72 HydrophobicContact CG1-CB 3.95Å; V23-L72 HydrophobicContact CG1-CD2 4.47Å; V23-L72 HydrophobicContact CG2-CD1 4.04Å
24R82.5Confident85.2Confident99 Ų9963.1 Ų63.137%0.37434%0.336SS..Iπ-helixtrans-74.1-36.4-176.4-69.2179.9170.1177.6-6.6113.6R20 L72 W149R20-R24 VanDerWaalsContact O-CB 3.28Å; R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.13Å; R20-R24 PolarHBondContact O-N 3.36Å; R24-L72 HydrophobicContact CG-CD2 4.2Å; R24-W149 VanDerWaalsContact NH2-CZ2 3.34Å
25G80.1Confident85.7Confident52 Ų5262.2 Ų62.254%0.53634%0.335SS..Iπ-helixtrans-84.4-42.5-175.800000113.3E21E21-G25 VanDerWaalsContact O-CA 3.3Å; E21-G25 WeakPolarHBondContact O-CA 3.17Å; E21-G25 PolarHBondContact O-N 3.3Å
26V79.7Confident86.1Confident112 Ų11263.1 Ų63.168%0.67934%0.338SS*.Iπ-helixtrans-101.9-55.8-171.5-1730000111.6V22V22-V26 WeakPolarHBondContact O-CA 3.47Å; V22-V26 VanDerWaalsContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CB 3.4Å; V22-V26 PolarHBondContact O-N 3.17Å
27L81.1Confident86.4Confident59 Ų5962.8 Ų62.831%0.30934%0.337SS..Iπ-helixtrans-82.3-28.5-172.2-59.1177.5000113.2V22 V23 N29 E30 F31V22-L27 PolarHBondContact O-N 2.92Å; V23-L27 HydrophobicContact CG2-CD1 4.45Å; V23-L27 CarbonylContact O-C 3.52Å; V23-L27 PolarHBondContact O-N 3.08Å; L27-N29 PolarHBondContact O-N 3.41Å; L27-N29 VanDerWaalsContact O-N 3.1Å; L27-E30 WeakPolarHBondContact O-CB 3.49Å; L27-E30 PolarHBondContact O-N 3.47Å; L27-F31 HydrophobicContact CB-CB 4.21Å; L27-F31 HydrophobicContact CD1-CB 4.4Å; L27-F31 HydrophobicContact CD1-CD2 3.69Å; L27-F31 HydrophobicContact CD1-CG 4.48Å
28K75.9Confident86.7Confident142 Ų14265.1 Ų65.162%0.61734%0.341SS*.G310 helixtrans47.6-115.2-177.5-60.8175.9-179.1175.70111V23V23-K28 WeakPolarHBondContact O-CA 3.34Å; V23-K28 PolarHBondContact O-N 3.21Å
29N70.5Confident86.9Confident108 Ų10864 Ų6458%0.57834%0.341SS*.G310 helixtrans-85.4-7.9-177.1-65.3-12.9000113.6L27 R73L27-N29 PolarHBondContact O-N 3.41Å; L27-N29 VanDerWaalsContact O-N 3.1Å; N29-R73 PolarHBondContact O-NH1 3.18Å
30E78.7Confident87.1Confident167 Ų16764.1 Ų64.178%0.7834%0.341SS*.G310 helixtrans-92.27.2-176.9-60.1-173.7169.200113.3L27 P32L27-E30 WeakPolarHBondContact O-CB 3.49Å; L27-E30 PolarHBondContact O-N 3.47Å; E30-P32 WeakPolarHBondContact O-CD 3.5Å; E30-P32 VanDerWaalsContact O-N 3.08Å
31F88.1Confident87.2Confident4 Ų462.4 Ų62.42%0.01834%0.335CS..  trans-60.8111.7179.8174.3-125.5000111.5F19 V23 L27 L33 F36 A69 R73F19-F31 HydrophobicContact CE2-CE2 4.15Å; F19-F31 HydrophobicContact CE2-CZ 4.21Å; F19-F31 HydrophobicContact CZ-CE1 4.49Å; F19-F31 HydrophobicContact CZ-CE2 4.12Å; F19-F31 AromaticContact CZ-CZ 3.72Å; F19-F31 HydrophobicContact CZ-CZ 3.72Å; V23-F31 HydrophobicContact CG1-CB 3.88Å; V23-F31 HydrophobicContact CG1-CD1 4.08Å; V23-F31 HydrophobicContact CG1-CD2 4.45Å; V23-F31 HydrophobicContact CG1-CG 3.88Å; V23-F31 HydrophobicContact CG2-CD2 3.97Å; V23-F31 HydrophobicContact CG2-CE2 4.12Å; V23-F31 HydrophobicContact CG2-CG 4.19Å; V23-F31 HydrophobicContact CG2-CZ 4.47Å; L27-F31 HydrophobicContact CB-CB 4.21Å; L27-F31 HydrophobicContact CD1-CB 4.4Å; L27-F31 HydrophobicContact CD1-CD2 3.69Å; L27-F31 HydrophobicContact CD1-CG 4.48Å; F31-L33 VanDerWaalsContact C-N 3.31Å; F31-L33 HydrophobicContact CD1-CB 4.23Å; F31-L33 HydrophobicContact CE1-CB 3.93Å; F31-L33 HydrophobicContact CE1-CD1 3.78Å; F31-L33 HydrophobicContact CE1-CG 4.47Å; F31-L33 HydrophobicContact CZ-CD1 4.23Å; F31-L33 PolarHBondContact O-N 3.08Å; F31-F36 HydrophobicContact CE2-CB 3.76Å; F31-F36 HydrophobicContact CE2-CD2 4.14Å; F31-F36 AromaticContact CE2-CG 3.87Å; F31-F36 HydrophobicContact CE2-CG 3.87Å; F31-F36 HydrophobicContact CZ-CB 3.78Å; F31-F36 AromaticContact CZ-CD1 3.91Å; F31-F36 HydrophobicContact CZ-CD1 3.91Å; F31-F36 HydrophobicContact CZ-CD2 4.32Å; F31-F36 AromaticContact CZ-CG 3.72Å; F31-F36 HydrophobicContact CZ-CG 3.72Å; F31-A69 HydrophobicContact CE1-CB 4.38Å; F31-A69 WeakPolarHBondContact CE1-O 3.35Å; F31-A69 HydrophobicContact CZ-CB 4.27Å; F31-R73 HydrophobicContact CD1-CB 4.18Å; F31-R73 VanDerWaalsContact O-CD 3.28Å; F31-R73 WeakPolarHBondContact O-CD 3.41Å
32P90.8Very high87.3Confident61 Ų6159 Ų5940%0.39632%0.321SS..  trans-83.977.2-175.134.5-32.8000109.9E30 V35 F36E30-P32 WeakPolarHBondContact O-CD 3.5Å; E30-P32 VanDerWaalsContact O-N 3.08Å; P32-V35 HydrophobicContact CB-CB 4.21Å; P32-V35 HydrophobicContact CB-CG2 4.25Å; P32-V35 HydrophobicContact CG-CB 4.5Å; P32-V35 PolarHBondContact O-N 3.33Å; P32-F36 PolarHBondContact O-N 2.96Å
33L94.6Very high87.4Confident0 Ų058.1 Ų58.10%032%0.32CS..Hα-helixtrans-50.3-47.4-174.2171.969.6000113.8F31 V35 F36 C37 A69 V70 R73 D97 I98 A101F31-L33 VanDerWaalsContact C-N 3.31Å; F31-L33 HydrophobicContact CD1-CB 4.23Å; F31-L33 HydrophobicContact CE1-CB 3.93Å; F31-L33 HydrophobicContact CE1-CD1 3.78Å; F31-L33 HydrophobicContact CE1-CG 4.47Å; F31-L33 HydrophobicContact CZ-CD1 4.23Å; F31-L33 PolarHBondContact O-N 3.08Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-F36 WeakPolarHBondContact O-CB 3.45Å; L33-F36 PolarHBondContact O-N 2.59Å; L33-C37 PolarHBondContact O-N 2.79Å; L33-C37 PolarHBondContact O-SG 3.09Å; L33-A69 VanDerWaalsContact CD1-C 3.5Å; L33-A69 HydrophobicContact CD1-CB 3.75Å; L33-A69 WeakPolarHBondContact CD1-O 3.23Å; L33-V70 HydrophobicContact CD1-CG2 4.31Å; L33-V70 HydrophobicContact CD2-CG2 4.27Å; L33-R73 HydrophobicContact CB-CB 4.03Å; L33-R73 HydrophobicContact CB-CG 3.96Å; L33-R73 HydrophobicContact CD2-CB 3.77Å; L33-R73 HydrophobicContact CD2-CG 3.94Å; L33-R73 HydrophobicContact CG-CB 4.34Å; L33-D97 HydrophobicContact CB-CB 4.46Å; L33-I98 HydrophobicContact CD2-CG1 4.17Å; L33-A101 HydrophobicContact CD1-CB 4.33Å; L33-A101 HydrophobicContact CD2-CB 3.6Å; L33-A101 HydrophobicContact CG-CB 3.58Å
34P94.3Very high87.4Confident18 Ų1858.1 Ų58.112%0.11732%0.32CS..Hα-helixtrans-61.7-44-178.9-23.234.4000112.6F36 C37 Q38 D97 R100P34-F36 VanDerWaalsContact C-N 3.31Å; P34-F36 PolarHBondContact O-N 2.92Å; P34-C37 PolarHBondContact O-N 3.46Å; P34-Q38 WeakPolarHBondContact O-CB 3.35Å; P34-Q38 PolarHBondContact O-N 3.43Å; P34-D97 HydrophobicContact CG-CB 4.18Å; P34-D97 WeakPolarHBondContact CG-O 3.38Å; P34-R100 HydrophobicContact CB-CB 3.96Å; P34-R100 HydrophobicContact CG-CB 3.72Å
35V93.6Very high87.6Confident83 Ų8354.2 Ų54.250%0.50331%0.308SS..Hα-helixtrans-64.5-40179.3-179.10000110.5P32 L33 S39P32-V35 HydrophobicContact CB-CB 4.21Å; P32-V35 HydrophobicContact CB-CG2 4.25Å; P32-V35 HydrophobicContact CG-CB 4.5Å; P32-V35 PolarHBondContact O-N 3.33Å; L33-V35 PolarHBondContact O-N 3.18Å; V35-S39 VanDerWaalsContact O-CB 3.23Å; V35-S39 WeakPolarHBondContact O-CB 3.19Å; V35-S39 PolarHBondContact O-N 3.04Å; V35-S39 PolarHBondContact O-OG 3.15Å
36F94.3Very high87.8Confident34 Ų3460.2 Ų60.215%0.14932%0.319CS..Hα-helixtrans-60.7-52173.9172.9-93.1000111.2M1 F19 F31 P32 L33 P34 Q38 S39 F40 A69M1-F36 HydrophobicContact CE-CE2 3.84Å; M1-F36 HydrophobicContact CE-CZ 4.31Å; M1-F36 HydrophobicContact SD-CE2 4.12Å; M1-F36 HydrophobicContact SD-CZ 4.08Å; F19-F36 HydrophobicContact CE1-CE1 4.18Å; F19-F36 AromaticContact CE1-CZ 3.95Å; F19-F36 HydrophobicContact CE1-CZ 3.95Å; F19-F36 HydrophobicContact CE2-CD2 4.26Å; F19-F36 AromaticContact CE2-CE2 3.75Å; F19-F36 HydrophobicContact CE2-CE2 3.75Å; F19-F36 AromaticContact CE2-CZ 3.94Å; F19-F36 HydrophobicContact CE2-CZ 3.94Å; F19-F36 HydrophobicContact CZ-CD1 4.24Å; F19-F36 HydrophobicContact CZ-CD2 4.23Å; F19-F36 AromaticContact CZ-CE1 3.74Å; F19-F36 HydrophobicContact CZ-CE1 3.74Å; F19-F36 AromaticContact CZ-CE2 3.72Å; F19-F36 HydrophobicContact CZ-CE2 3.72Å; F19-F36 HydrophobicContact CZ-CG 4.47Å; F19-F36 AromaticContact CZ-CZ 3.45Å; F19-F36 HydrophobicContact CZ-CZ 3.45Å; F19-F36 VanDerWaalsContact CZ-CZ 3.45Å; F31-F36 HydrophobicContact CE2-CB 3.76Å; F31-F36 HydrophobicContact CE2-CD2 4.14Å; F31-F36 AromaticContact CE2-CG 3.87Å; F31-F36 HydrophobicContact CE2-CG 3.87Å; F31-F36 HydrophobicContact CZ-CB 3.78Å; F31-F36 AromaticContact CZ-CD1 3.91Å; F31-F36 HydrophobicContact CZ-CD1 3.91Å; F31-F36 HydrophobicContact CZ-CD2 4.32Å; F31-F36 AromaticContact CZ-CG 3.72Å; F31-F36 HydrophobicContact CZ-CG 3.72Å; P32-F36 PolarHBondContact O-N 2.96Å; L33-F36 WeakPolarHBondContact O-CB 3.45Å; L33-F36 PolarHBondContact O-N 2.59Å; P34-F36 VanDerWaalsContact C-N 3.31Å; P34-F36 PolarHBondContact O-N 2.92Å; F36-Q38 PolarHBondContact O-N 3.11Å; F36-S39 PolarHBondContact O-N 2.89Å; F36-F40 HydrophobicContact CE1-CB 4.3Å; F36-F40 HydrophobicContact CE1-CG 4.39Å; F36-F40 HydrophobicContact CE2-CB 4.49Å; F36-F40 HydrophobicContact CZ-CB 4.23Å; F36-F40 HydrophobicContact CZ-CD2 4.27Å; F36-F40 HydrophobicContact CZ-CG 4.14Å; F36-F40 WeakPolarHBondContact O-CB 3.23Å; F36-F40 PolarHBondContact O-N 3.27Å; F36-A69 HydrophobicContact CD1-CB 3.73Å; F36-A69 HydrophobicContact CE1-CB 3.52Å
37C94.4Very high88.1Confident0 Ų056.7 Ų56.70%030%0.301CS..Hα-helixtrans-57.8-50.8-179.3-75.50000111.2L33 P34 F40 L41L33-C37 PolarHBondContact O-N 2.79Å; L33-C37 PolarHBondContact O-SG 3.09Å; P34-C37 PolarHBondContact O-N 3.46Å; C37-F40 PolarHBondContact O-N 2.87Å; C37-L41 WeakPolarHBondContact O-CB 3.47Å; C37-L41 WeakPolarHBondContact O-CD1 3.32Å; C37-L41 WeakPolarHBondContact O-CG 3.27Å; C37-L41 PolarHBondContact O-N 3.32Å
38Q92.8Very high88.2Confident90 Ų9054.6 Ų54.642%0.42129%0.29SS..Hα-helixtrans-57.8-53178.1-171.6-177.216.700111.6P34 F36 F40 L41 D42 E104P34-Q38 WeakPolarHBondContact O-CB 3.35Å; P34-Q38 PolarHBondContact O-N 3.43Å; F36-Q38 PolarHBondContact O-N 3.11Å; Q38-F40 PolarHBondContact O-N 3.22Å; Q38-L41 PolarHBondContact O-N 2.69Å; Q38-D42 WeakPolarHBondContact O-CB 3.34Å; Q38-D42 PolarHBondContact O-N 2.67Å; Q38-E104 HydrophobicContact CB-CG 4.46Å
39S92.9Very high88.4Confident65 Ų6555.2 Ų55.246%0.45529%0.293SS..Hα-helixtrans-64.8-39.5-177.1-57.70000112.6V35 F36 A43V35-S39 VanDerWaalsContact O-CB 3.23Å; V35-S39 WeakPolarHBondContact O-CB 3.19Å; V35-S39 PolarHBondContact O-N 3.04Å; V35-S39 PolarHBondContact O-OG 3.15Å; F36-S39 PolarHBondContact O-N 2.89Å; S39-A43 WeakPolarHBondContact O-CB 3.04Å; S39-A43 PolarHBondContact O-N 3.05Å
40F92.9Very high88.6Confident10 Ų1052 Ų524%0.04428%0.278CS..Hα-helixtrans-67.3-44.5179.6-179.6-109.8000111.3M1 V2 L5 F36 C37 Q38 A44 L62 M65 I66M1-F40 HydrophobicContact CB-CE2 4.24Å; M1-F40 HydrophobicContact CG-CE2 4.4Å; M1-F40 HydrophobicContact SD-CD2 4.44Å; M1-F40 HydrophobicContact SD-CE2 4.14Å; V2-F40 HydrophobicContact CG2-CD2 3.72Å; V2-F40 HydrophobicContact CG2-CE2 3.73Å; L5-F40 HydrophobicContact CD1-CE2 4.1Å; L5-F40 HydrophobicContact CD1-CZ 3.79Å; F36-F40 HydrophobicContact CE1-CB 4.3Å; F36-F40 HydrophobicContact CE1-CG 4.39Å; F36-F40 HydrophobicContact CE2-CB 4.49Å; F36-F40 HydrophobicContact CZ-CB 4.23Å; F36-F40 HydrophobicContact CZ-CD2 4.27Å; F36-F40 HydrophobicContact CZ-CG 4.14Å; F36-F40 WeakPolarHBondContact O-CB 3.23Å; F36-F40 PolarHBondContact O-N 3.27Å; C37-F40 PolarHBondContact O-N 2.87Å; Q38-F40 PolarHBondContact O-N 3.22Å; F40-A44 VanDerWaalsContact O-CB 3.26Å; F40-A44 WeakPolarHBondContact O-CB 3.29Å; F40-A44 PolarHBondContact O-N 3.2Å; F40-L62 HydrophobicContact CD1-CD2 4.31Å; F40-L62 HydrophobicContact CE1-CB 4.34Å; F40-L62 HydrophobicContact CE1-CD2 3.44Å; F40-L62 VanDerWaalsContact CE1-CD2 3.44Å; F40-L62 HydrophobicContact CE1-CG 4.49Å; F40-L62 HydrophobicContact CE2-CD2 4.35Å; F40-L62 HydrophobicContact CZ-CD2 3.47Å; F40-L62 VanDerWaalsContact CZ-CD2 3.47Å; F40-M65 HydrophobicContact CE1-CB 3.91Å; F40-M65 HydrophobicContact CZ-CB 3.81Å; F40-M65 HydrophobicContact CZ-CG 4.18Å; F40-I66 HydrophobicContact CD1-CG1 4.37Å; F40-I66 HydrophobicContact CE1-CG1 4.45Å
41L91Very high88.6Confident3 Ų351.6 Ų51.62%0.01628%0.276CS..Hα-helixtrans-68.7-39.7178.8-72.3174.6000112.3C37 Q38 A44 S45 I66 I105 W108C37-L41 WeakPolarHBondContact O-CB 3.47Å; C37-L41 WeakPolarHBondContact O-CD1 3.32Å; C37-L41 WeakPolarHBondContact O-CG 3.27Å; C37-L41 PolarHBondContact O-N 3.32Å; Q38-L41 PolarHBondContact O-N 2.69Å; L41-A44 PolarHBondContact O-N 3.42Å; L41-S45 WeakPolarHBondContact O-CB 3.35Å; L41-S45 PolarHBondContact O-N 3.3Å; L41-S45 PolarHBondContact O-OG 3.31Å; L41-I66 HydrophobicContact CD1-CD1 4.3Å; L41-I66 HydrophobicContact CD2-CD1 3.49Å; L41-I66 VanDerWaalsContact CD2-CD1 3.49Å; L41-I66 HydrophobicContact CD2-CG1 4.44Å; L41-I66 HydrophobicContact CG-CD1 4.18Å; L41-I105 HydrophobicContact CD1-CG1 4.3Å; L41-W108 HydrophobicContact CB-CB 4.43Å; L41-W108 HydrophobicContact CB-CD2 4.36Å; L41-W108 HydrophobicContact CB-CG 3.92Å; L41-W108 HydrophobicContact CD1-CB 3.78Å; L41-W108 HydrophobicContact CD1-CD2 4.11Å; L41-W108 HydrophobicContact CD1-CE3 4.37Å; L41-W108 HydrophobicContact CD1-CG 3.84Å; L41-W108 HydrophobicContact CD2-CD2 3.51Å; L41-W108 HydrophobicContact CD2-CE3 3.77Å; L41-W108 HydrophobicContact CD2-CG 3.95Å; L41-W108 HydrophobicContact CD2-CH2 4.12Å; L41-W108 HydrophobicContact CD2-CZ2 3.89Å; L41-W108 HydrophobicContact CD2-CZ3 4.07Å; L41-W108 HydrophobicContact CG-CD2 4.2Å; L41-W108 HydrophobicContact CG-CG 4.11Å
42D89.6Confident88.2Confident71 Ų7152.7 Ų52.738%0.3828%0.284SS..Hα-helixtrans-65.5-45.6174.7-80-10.9000111.7Q38 A44 S45 K46Q38-D42 WeakPolarHBondContact O-CB 3.34Å; Q38-D42 PolarHBondContact O-N 2.67Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.44Å; D42-S45 PolarHBondContact O-N 2.87Å; D42-K46 WeakPolarHBondContact O-CG 3.5Å; D42-K46 PolarHBondContact O-N 3.46Å
43A90.2Very high87.5Confident42 Ų4255.9 Ų55.935%0.34731%0.305SS..Hα-helixtrans-62.3-41.6176.200000111.3V2 S39 K46 A47V2-A43 HydrophobicContact CB-CB 4.43Å; V2-A43 HydrophobicContact CG2-CB 3.87Å; S39-A43 WeakPolarHBondContact O-CB 3.04Å; S39-A43 PolarHBondContact O-N 3.05Å; A43-K46 PolarHBondContact O-N 3.21Å; A43-A47 VanDerWaalsContact O-CB 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3.04Å
44A87.2Confident86.7Confident0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-62-43.8175.400000111.9V2 F40 L41 D42 K46 A47 F48 L62V2-A44 HydrophobicContact CG1-CB 4.35Å; V2-A44 HydrophobicContact CG2-CB 4.2Å; F40-A44 VanDerWaalsContact O-CB 3.26Å; F40-A44 WeakPolarHBondContact O-CB 3.29Å; F40-A44 PolarHBondContact O-N 3.2Å; L41-A44 PolarHBondContact O-N 3.42Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.44Å; A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.86Å; A44-A47 PolarHBondContact O-N 3.43Å; A44-F48 WeakPolarHBondContact O-CB 3.41Å; A44-F48 PolarHBondContact O-N 3.26Å; A44-L62 HydrophobicContact CB-CD1 3.72Å; A44-L62 HydrophobicContact CB-CD2 3.51Å; A44-L62 HydrophobicContact CB-CG 4.28Å
45S86.1Confident85.8Confident17 Ų1759 Ų5912%0.11932%0.318CS..Hα-helixtrans-63.4-39.7178.3-56.50000111.8L41 D42 W108 T116L41-S45 WeakPolarHBondContact O-CB 3.35Å; L41-S45 PolarHBondContact O-N 3.3Å; L41-S45 PolarHBondContact O-OG 3.31Å; D42-S45 PolarHBondContact O-N 2.87Å; S45-W108 PolarHBondContact OG-NE1 3.01Å; S45-T116 VanDerWaalsContact O-CG2 3.29Å; S45-T116 WeakPolarHBondContact O-CG2 3.38Å
46K85.8Confident85Confident179 Ų17958.3 Ų58.378%0.77831%0.31SS*.Hα-helixtrans-72-37.6177.4-71.5171.2-176.7171.40113.3D42 A43 A44 F48D42-K46 WeakPolarHBondContact O-CG 3.5Å; D42-K46 PolarHBondContact O-N 3.46Å; A43-K46 PolarHBondContact O-N 3.21Å; A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.86Å; K46-F48 PolarHBondContact O-N 3.14Å
47A84.9Confident84.3Confident37 Ų3759.4 Ų59.431%0.30631%0.313SS..Hα-helixtrans-75.9-15.7178.600000112.8V2 F6 A43 A44 K49V2-A47 HydrophobicContact CG1-CB 3.64Å; F6-A47 HydrophobicContact CE1-CB 4.4Å; F6-A47 WeakPolarHBondContact CE1-O 2.96Å; F6-A47 HydrophobicContact CE2-CB 4.38Å; F6-A47 HydrophobicContact CZ-CB 4.21Å; A43-A47 VanDerWaalsContact O-CB 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3.04Å; A44-A47 PolarHBondContact O-N 3.43Å; A47-K49 PolarHBondContact O-N 3.44Å
48F82.9Confident83.7Confident15 Ų1559.5 Ų59.57%0.06631%0.313CS..  trans-67.5124.6-173.6-169.8-100.1000113.2F6 A44 K46 P50 K55 T116 F117F6-F48 HydrophobicContact CE1-CB 4.35Å; F6-F48 AromaticContact CE1-CD2 3.95Å; F6-F48 HydrophobicContact CE1-CD2 3.95Å; F6-F48 HydrophobicContact CZ-CB 4.26Å; F6-F48 HydrophobicContact CZ-CD2 4.05Å; A44-F48 WeakPolarHBondContact O-CB 3.41Å; A44-F48 PolarHBondContact O-N 3.26Å; K46-F48 PolarHBondContact O-N 3.14Å; F48-P50 HydrophobicContact CE1-CB 4.49Å; F48-K55 HydrophobicContact CE2-CB 3.96Å; F48-K55 HydrophobicContact CE2-CG 3.82Å; F48-K55 HydrophobicContact CZ-CB 3.85Å; F48-K55 HydrophobicContact CZ-CD 3.71Å; F48-K55 HydrophobicContact CZ-CG 3.46Å; F48-K55 VanDerWaalsContact CZ-CG 3.46Å; F48-T116 HydrophobicContact CB-CG2 4.49Å; F48-F117 HydrophobicContact CD1-CB 4.45Å; F48-F117 AromaticContact CD1-CD1 3.85Å; F48-F117 HydrophobicContact CD1-CD1 3.85Å; F48-F117 HydrophobicContact CD1-CE1 4.21Å; F48-F117 HydrophobicContact CD1-CG 4.06Å; F48-F117 AromaticContact CD2-CD1 3.59Å; F48-F117 HydrophobicContact CD2-CD1 3.59Å; F48-F117 AromaticContact CD2-CE1 3.28Å; F48-F117 HydrophobicContact CD2-CE1 3.28Å; F48-F117 HydrophobicContact CD2-CZ 4.04Å; F48-F117 HydrophobicContact CE1-CB 3.97Å; F48-F117 AromaticContact CE1-CD1 3.6Å; F48-F117 HydrophobicContact CE1-CD1 3.6Å; F48-F117 HydrophobicContact CE1-CE1 4.31Å; F48-F117 AromaticContact CE1-CG 3.92Å; F48-F117 HydrophobicContact CE1-CG 3.92Å; F48-F117 AromaticContact CE2-CD1 3.34Å; F48-F117 HydrophobicContact CE2-CD1 3.34Å; F48-F117 AromaticContact CE2-CE1 3.43Å; F48-F117 HydrophobicContact CE2-CE1 3.43Å; F48-F117 VanDerWaalsContact CE2-CE1 3.43Å; F48-F117 HydrophobicContact CE2-CG 4.42Å; F48-F117 AromaticContact CG-CD1 3.86Å; F48-F117 HydrophobicContact CG-CD1 3.86Å; F48-F117 AromaticContact CG-CE1 3.74Å; F48-F117 HydrophobicContact CG-CE1 3.74Å; F48-F117 HydrophobicContact CG-CG 4.39Å; F48-F117 HydrophobicContact CG-CZ 4.17Å; F48-F117 HydrophobicContact CZ-CB 4.34Å; F48-F117 AromaticContact CZ-CD1 3.38Å; F48-F117 HydrophobicContact CZ-CD1 3.38Å; F48-F117 AromaticContact CZ-CE1 3.98Å; F48-F117 HydrophobicContact CZ-CE1 3.98Å; F48-F117 HydrophobicContact CZ-CG 4.15Å
49K80.9Confident83Confident156 Ų15655.4 Ų55.468%0.67829%0.294SS*.  trans-105.9116.8173.1-66.4-176.7-178179.50108.8A47 E51 S52A47-K49 PolarHBondContact O-N 3.44Å; K49-E51 PolarHBondContact O-N 3.35Å; K49-S52 WeakPolarHBondContact O-CB 3.24Å; K49-S52 PolarHBondContact O-N 2.88Å
50P74.2Confident82.5Confident40 Ų4059 Ų5926%0.2630%0.297SS..THydrogen-bonded Turntrans-54.3-36.8-176.5-26.633.3000114.7F48 S52 R118F48-P50 HydrophobicContact CE1-CB 4.49Å; P50-S52 PolarHBondContact O-N 2.68Å; P50-R118 HydrophobicContact CB-CG 4.39Å; P50-R118 HydrophobicContact CG-CG 4.49Å
51E78.1Confident82.1Confident159 Ų15958.8 Ų58.874%0.74330%0.297SS*.THydrogen-bonded Turntrans-83.37.1-179.2-48.6-51.4145.200113.4K49K49-E51 PolarHBondContact O-N 3.35Å
52S79.6Confident81.9Confident27 Ų2758.7 Ų58.719%0.18930%0.297CS..  trans-69.2125.2-1791800000110.9K49 P50 L54 K55K49-S52 WeakPolarHBondContact O-CB 3.24Å; K49-S52 PolarHBondContact O-N 2.88Å; P50-S52 PolarHBondContact O-N 2.68Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-L54 VanDerWaalsContact O-N 3.15Å; S52-L54 PolarHBondContact OG-N 3.01Å; S52-K55 WeakPolarHBondContact O-CB 3.27Å; S52-K55 PolarHBondContact O-N 3.47Å
53P76.3Confident81.8Confident128 Ų12855.8 Ų55.883%0.83128%0.281SS*.THydrogen-bonded Turntrans-65.1-18.2175.327.9-34.6000112.4K55P53-K55 VanDerWaalsContact C-N 3.34Å
54L77.7Confident81.6Confident44 Ų4455.3 Ų55.323%0.2327%0.272CS..THydrogen-bonded Turntrans-894.3-179.6-56.2-178.1000113.5D9 S52 E56 R57 I58D9-L54 WeakPolarHBondContact OD1-CD2 3.4Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-L54 VanDerWaalsContact O-N 3.15Å; S52-L54 PolarHBondContact OG-N 3.01Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 3.24Å; L54-R57 WeakPolarHBondContact O-CB 3.35Å; L54-R57 PolarHBondContact O-N 3Å; L54-R57 VanDerWaalsContact O-N 3.09Å; L54-I58 HydrophobicContact CB-CD1 3.84Å; L54-I58 HydrophobicContact CB-CG1 4.2Å; L54-I58 WeakPolarHBondContact O-CG1 3.48Å; L54-I58 PolarHBondContact O-N 3.47Å
55K76.2Confident81.7Confident39 Ų3955.3 Ų55.317%0.1727%0.272CS..Hα-helixtrans-47-50.6-174167.5178.6-169.4-174.10114.2F48 S52 P53 I58 Y59 F117 R118F48-K55 HydrophobicContact CE2-CB 3.96Å; F48-K55 HydrophobicContact CE2-CG 3.82Å; F48-K55 HydrophobicContact CZ-CB 3.85Å; F48-K55 HydrophobicContact CZ-CD 3.71Å; F48-K55 HydrophobicContact CZ-CG 3.46Å; F48-K55 VanDerWaalsContact CZ-CG 3.46Å; S52-K55 WeakPolarHBondContact O-CB 3.27Å; S52-K55 PolarHBondContact O-N 3.47Å; P53-K55 VanDerWaalsContact C-N 3.34Å; K55-I58 PolarHBondContact O-N 3.48Å; K55-Y59 WeakPolarHBondContact O-CB 3.14Å; K55-Y59 PolarHBondContact O-N 3.48Å; K55-F117 WeakPolarHBondContact CE-O 3.27Å; K55-F117 HydrophobicContact CG-CD1 4.47Å; K55-F117 PolarHBondContact NZ-O 3.13Å; K55-R118 PolarHBondContact NZ-O 3.4Å
56E76.1Confident82Confident69 Ų6954.5 Ų54.532%0.32227%0.267SS..Hα-helixtrans-64.2-42.9-177.5178.458.5-165.900112L54 Y59 R60 R127L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 3.24Å; E56-Y59 PolarHBondContact O-N 3.25Å; E56-R60 WeakPolarHBondContact O-CG 3.2Å; E56-R60 PolarHBondContact O-N 2.96Å; E56-R60 VanDerWaalsContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 2.95Å; E56-R60 VanDerWaalsContact OE1-CZ 3.27Å; E56-R60 IonicContact OE1-NE 3.56Å; E56-R60 PolarHBondContact OE1-NE 2.93Å; E56-R60 IonicContact OE1-NH2 3.05Å; E56-R60 PolarHBondContact OE1-NH2 2.49Å; E56-R127 IonicContact OE2-CZ 3.8Å; E56-R127 IonicContact OE2-NE 2.59Å; E56-R127 IonicContact OE2-NH1 3.18Å; E56-R127 IonicContact OE2-NH2 2.78Å; E56-R127 PolarHBondContact OE2-NH2 2.92Å
57R80.4Confident82.2Confident57 Ų5746.6 Ų46.622%0.21524%0.236CC..Hα-helixtrans-66.3-46.5178.5176.5-179.6166.4-107.5-28.7111.4K8 D9 L54 Y59 R60 C61K8-R57 VanDerWaalsContact C-NH1 3.32Å; K8-R57 PolarHBondContact O-NH1 2.96Å; K8-R57 PolarHBondContact O-NH2 3.34Å; D9-R57 VanDerWaalsContact C-CZ 3.49Å; D9-R57 VanDerWaalsContact C-NH2 3.32Å; D9-R57 PolarHBondContact O-NE 2.96Å; D9-R57 PolarHBondContact O-NH1 3.44Å; D9-R57 PolarHBondContact O-NH2 3.18Å; D9-R57 IonicContact OD1-CZ 2.7Å; D9-R57 IonicContact OD1-NH1 3.72Å; D9-R57 PolarHBondContact OD1-NH1 2.86Å; L54-R57 WeakPolarHBondContact O-CB 3.35Å; L54-R57 PolarHBondContact O-N 3Å; L54-R57 VanDerWaalsContact O-N 3.09Å; R57-Y59 VanDerWaalsContact C-N 3.26Å; R57-Y59 PolarHBondContact O-N 2.63Å; R57-R60 PolarHBondContact O-N 3.3Å; R57-C61 WeakPolarHBondContact O-CB 3.02Å; R57-C61 PolarHBondContact O-N 3.11Å; R57-C61 PolarHBondContact O-SG 3.39Å
58I81.4Confident82.5Confident1 Ų145.3 Ų45.31%0.00522%0.224CC..Hα-helixtrans-54.4-49.1176.7-72.8160.2000109.3F6 L54 K55 R60 C61 L62F6-I58 HydrophobicContact CD1-CD1 3.54Å; F6-I58 HydrophobicContact CD1-CG1 4.37Å; F6-I58 HydrophobicContact CD2-CD1 4.39Å; F6-I58 HydrophobicContact CD2-CG1 4.38Å; F6-I58 HydrophobicContact CD2-CG2 4.1Å; F6-I58 HydrophobicContact CE1-CD1 3.58Å; F6-I58 HydrophobicContact CE1-CG1 4.39Å; F6-I58 HydrophobicContact CE1-CG2 4.02Å; F6-I58 HydrophobicContact CE2-CD1 4.49Å; F6-I58 HydrophobicContact CE2-CG1 4.47Å; F6-I58 HydrophobicContact CE2-CG2 3.42Å; F6-I58 VanDerWaalsContact CE2-CG2 3.42Å; F6-I58 HydrophobicContact CG-CD1 3.99Å; F6-I58 HydrophobicContact CG-CG1 4.38Å; F6-I58 HydrophobicContact CZ-CD1 4.14Å; F6-I58 HydrophobicContact CZ-CG2 3.4Å; F6-I58 VanDerWaalsContact CZ-CG2 3.4Å; L54-I58 HydrophobicContact CB-CD1 3.84Å; L54-I58 HydrophobicContact CB-CG1 4.2Å; L54-I58 WeakPolarHBondContact O-CG1 3.48Å; L54-I58 PolarHBondContact O-N 3.47Å; K55-I58 PolarHBondContact O-N 3.48Å; I58-R60 PolarHBondContact O-N 3.35Å; I58-C61 WeakPolarHBondContact O-CB 3.36Å; I58-C61 PolarHBondContact O-N 3.13Å; I58-C61 VanDerWaalsContact O-N 3.12Å; I58-L62 HydrophobicContact CG2-CD1 4.29Å; I58-L62 HydrophobicContact CG2-CG 4.45Å; I58-L62 WeakPolarHBondContact O-CG 3.23Å; I58-L62 PolarHBondContact O-N 3.23Å
59Y79.5Confident83Confident4 Ų444.6 Ų44.62%0.01622%0.221CC..Hα-helixtrans-58.6-49.3-179.4-171.6-92.7000112K55 E56 R57 C61 L62 E63 W108 V113 F117 N130K55-Y59 WeakPolarHBondContact O-CB 3.14Å; K55-Y59 PolarHBondContact O-N 3.48Å; E56-Y59 PolarHBondContact O-N 3.25Å; R57-Y59 VanDerWaalsContact C-N 3.26Å; R57-Y59 PolarHBondContact O-N 2.63Å; Y59-C61 VanDerWaalsContact C-N 3.3Å; Y59-C61 PolarHBondContact O-N 3.25Å; Y59-L62 WeakPolarHBondContact O-CB 3.29Å; Y59-L62 PolarHBondContact O-N 3.06Å; Y59-L62 VanDerWaalsContact O-N 3.08Å; Y59-E63 HydrophobicContact CD1-CG 4.49Å; Y59-E63 HydrophobicContact CE1-CG 4.19Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.33Å; Y59-E63 PolarHBondContact O-N 3.01Å; Y59-E63 VanDerWaalsContact O-N 3.09Å; Y59-W108 HydrophobicContact CD2-CH2 4.19Å; Y59-W108 AromaticContact CE2-CH2 3.61Å; Y59-W108 HydrophobicContact CE2-CH2 3.61Å; Y59-W108 HydrophobicContact CE2-CZ2 4.48Å; Y59-W108 HydrophobicContact CE2-CZ3 4.24Å; Y59-V113 HydrophobicContact CE2-CB 4.49Å; Y59-V113 HydrophobicContact CE2-CG1 3.75Å; Y59-V113 HydrophobicContact CE2-CG2 3.89Å; Y59-F117 HydrophobicContact CD2-CD1 4.32Å; Y59-F117 HydrophobicContact CD2-CE1 4.01Å; Y59-F117 HydrophobicContact CD2-CZ 4.16Å; Y59-N130 WeakPolarHBondContact CE1-ND2 3.31Å; Y59-N130 PolarHBondContact OH-ND2 3.5Å
60R81.2Confident83.6Confident141 Ų14137.1 Ų37.153%0.53219%0.188SC..Hα-helixtrans-60.2-37.1174.1-67178.4-163.11761.6113.2E56 R57 I58 L62 E63 D64E56-R60 WeakPolarHBondContact O-CG 3.2Å; E56-R60 PolarHBondContact O-N 2.96Å; E56-R60 VanDerWaalsContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 2.95Å; E56-R60 VanDerWaalsContact OE1-CZ 3.27Å; E56-R60 IonicContact OE1-NE 3.56Å; E56-R60 PolarHBondContact OE1-NE 2.93Å; E56-R60 IonicContact OE1-NH2 3.05Å; E56-R60 PolarHBondContact OE1-NH2 2.49Å; R57-R60 PolarHBondContact O-N 3.3Å; I58-R60 PolarHBondContact O-N 3.35Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-E63 PolarHBondContact O-N 2.98Å; R60-D64 WeakPolarHBondContact O-CB 3.48Å; R60-D64 PolarHBondContact O-N 3.07Å
61C85.2Confident84.5Confident6 Ų635.5 Ų35.54%0.04118%0.177CC..Hα-helixtrans-65-38.4175-72.40000111.9L5 L12 R57 I58 Y59 M65L5-C61 HydrophobicContact CD1-CB 4.47Å; L5-C61 HydrophobicContact CD2-CB 4.11Å; L12-C61 HydrophobicContact CD1-CB 4.07Å; R57-C61 WeakPolarHBondContact O-CB 3.02Å; R57-C61 PolarHBondContact O-N 3.11Å; R57-C61 PolarHBondContact O-SG 3.39Å; I58-C61 WeakPolarHBondContact O-CB 3.36Å; I58-C61 PolarHBondContact O-N 3.13Å; I58-C61 VanDerWaalsContact O-N 3.12Å; Y59-C61 VanDerWaalsContact C-N 3.3Å; Y59-C61 PolarHBondContact O-N 3.25Å; C61-M65 WeakPolarHBondContact O-CB 3.39Å; C61-M65 WeakPolarHBondContact O-CG 3.43Å; C61-M65 PolarHBondContact O-N 3.37Å
62L87Confident85.1Confident0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-62-46.8174.9-63.8173.3000110.4L5 F40 A44 I58 Y59 R60 D64 M65 I66 W108 F117L5-L62 HydrophobicContact CD1-CD2 4.49Å; F40-L62 HydrophobicContact CD1-CD2 4.31Å; F40-L62 HydrophobicContact CE1-CB 4.34Å; F40-L62 HydrophobicContact CE1-CD2 3.44Å; F40-L62 VanDerWaalsContact CE1-CD2 3.44Å; F40-L62 HydrophobicContact CE1-CG 4.49Å; F40-L62 HydrophobicContact CE2-CD2 4.35Å; F40-L62 HydrophobicContact CZ-CD2 3.47Å; F40-L62 VanDerWaalsContact CZ-CD2 3.47Å; A44-L62 HydrophobicContact CB-CD1 3.72Å; A44-L62 HydrophobicContact CB-CD2 3.51Å; A44-L62 HydrophobicContact CB-CG 4.28Å; I58-L62 HydrophobicContact CG2-CD1 4.29Å; I58-L62 HydrophobicContact CG2-CG 4.45Å; I58-L62 WeakPolarHBondContact O-CG 3.23Å; I58-L62 PolarHBondContact O-N 3.23Å; Y59-L62 WeakPolarHBondContact O-CB 3.29Å; Y59-L62 PolarHBondContact O-N 3.06Å; Y59-L62 VanDerWaalsContact O-N 3.08Å; R60-L62 VanDerWaalsContact C-N 3.35Å; L62-D64 PolarHBondContact O-N 3.12Å; L62-M65 PolarHBondContact O-N 3.01Å; L62-I66 WeakPolarHBondContact O-CD1 3.4Å; L62-I66 VanDerWaalsContact O-CG1 3.23Å; L62-I66 WeakPolarHBondContact O-CG1 3.18Å; L62-I66 PolarHBondContact O-N 3.48Å; L62-W108 HydrophobicContact CD1-CH2 4.41Å; L62-W108 HydrophobicContact CD1-CZ2 4.22Å; L62-F117 HydrophobicContact CD1-CZ 4.08Å
63E86Confident85.6Confident10 Ų1028.1 Ų28.15%0.04714%0.139CC..Hα-helixtrans-58.8-48.8178.7-63.7-176.9159.100112.7Y59 R60 M65 I66 G67 N130 R133 L134Y59-E63 HydrophobicContact CD1-CG 4.49Å; Y59-E63 HydrophobicContact CE1-CG 4.19Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.33Å; Y59-E63 PolarHBondContact O-N 3.01Å; Y59-E63 VanDerWaalsContact O-N 3.09Å; R60-E63 PolarHBondContact O-N 2.98Å; E63-M65 VanDerWaalsContact C-N 3.3Å; E63-M65 PolarHBondContact O-N 3.38Å; E63-I66 PolarHBondContact O-N 3.4Å; E63-G67 PolarHBondContact O-N 2.91Å; E63-N130 WeakPolarHBondContact OE1-CB 3.19Å; E63-N130 PolarHBondContact OE1-ND2 2.88Å; E63-N130 PolarHBondContact OE1-OD1 3.25Å; E63-N130 VanDerWaalsContact OE1-OD1 3.13Å; E63-R133 IonicContact OE2-CZ 2.8Å; E63-R133 IonicContact OE2-NH1 3.32Å; E63-R133 PolarHBondContact OE2-NH1 3.32Å; E63-L134 HydrophobicContact CB-CD2 3.95Å; E63-L134 HydrophobicContact CG-CD1 4.27Å; E63-L134 HydrophobicContact CG-CD2 4.12Å; E63-L134 HydrophobicContact CG-CG 4.37Å
64D86.4Confident86.2Confident32 Ų3222.3 Ų22.317%0.17110%0.101CC..Hα-helixtrans-60.7-39.5178.9-90.227.1000112L12 K16 R60 L62 I68 R133L12-D64 HydrophobicContact CD1-CB 4.4Å; L12-D64 HydrophobicContact CD2-CB 4.32Å; K16-D64 IonicContact NZ-OD2 2.77Å; K16-D64 PolarHBondContact NZ-OD2 3.44Å; R60-D64 WeakPolarHBondContact O-CB 3.48Å; R60-D64 PolarHBondContact O-N 3.07Å; L62-D64 PolarHBondContact O-N 3.12Å; D64-I68 WeakPolarHBondContact O-CB 3.4Å; D64-I68 WeakPolarHBondContact O-CD1 3.42Å; D64-I68 VanDerWaalsContact O-CG1 3.3Å; D64-I68 WeakPolarHBondContact O-CG1 3.36Å; D64-I68 PolarHBondContact O-N 3.02Å; D64-I68 VanDerWaalsContact O-N 3.11Å; D64-R133 IonicContact OD1-CZ 3.58Å; D64-R133 IonicContact OD1-NH1 2.92Å; D64-R133 PolarHBondContact OD1-NH1 2.89Å; D64-R133 IonicContact OD1-NH2 3.96Å; D64-R133 PolarHBondContact OD1-NH2 3.28Å
65M89.9Confident86.3Confident0 Ų021.5 Ų21.50%010%0.098CC..Hα-helixtrans-70-37.2178.6-72.6-58.8-59.500112M1 L5 L12 K16 F19 F40 C61 L62 E63 A69M1-M65 HydrophobicContact SD-CE 3.55Å; M1-M65 VanDerWaalsContact SD-CE 3.55Å; L5-M65 HydrophobicContact CD1-CG 4.35Å; L12-M65 HydrophobicContact CD1-CG 4.17Å; L12-M65 HydrophobicContact CD1-SD 4.12Å; K16-M65 HydrophobicContact CG-SD 3.95Å; F19-M65 HydrophobicContact CB-CE 4Å; F19-M65 HydrophobicContact CD1-CE 3.5Å; F19-M65 HydrophobicContact CE1-CE 4.17Å; F19-M65 HydrophobicContact CG-CE 3.93Å; F40-M65 HydrophobicContact CE1-CB 3.91Å; F40-M65 HydrophobicContact CZ-CB 3.81Å; F40-M65 HydrophobicContact CZ-CG 4.18Å; C61-M65 WeakPolarHBondContact O-CB 3.39Å; C61-M65 WeakPolarHBondContact O-CG 3.43Å; C61-M65 PolarHBondContact O-N 3.37Å; L62-M65 PolarHBondContact O-N 3.01Å; E63-M65 VanDerWaalsContact C-N 3.3Å; E63-M65 PolarHBondContact O-N 3.38Å; M65-A69 WeakPolarHBondContact O-CB 3.43Å; M65-A69 PolarHBondContact O-N 3.42Å
66I91.9Very high86.1Confident0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-66.1-47.7174.6-68.2162.5000110.4F40 L41 L62 E63 I68 A69 V70 I105 L134F40-I66 HydrophobicContact CD1-CG1 4.37Å; F40-I66 HydrophobicContact CE1-CG1 4.45Å; L41-I66 HydrophobicContact CD1-CD1 4.3Å; L41-I66 HydrophobicContact CD2-CD1 3.49Å; L41-I66 VanDerWaalsContact CD2-CD1 3.49Å; L41-I66 HydrophobicContact CD2-CG1 4.44Å; L41-I66 HydrophobicContact CG-CD1 4.18Å; L62-I66 WeakPolarHBondContact O-CD1 3.4Å; L62-I66 VanDerWaalsContact O-CG1 3.23Å; L62-I66 WeakPolarHBondContact O-CG1 3.18Å; L62-I66 PolarHBondContact O-N 3.48Å; E63-I66 PolarHBondContact O-N 3.4Å; I66-I68 VanDerWaalsContact C-N 3.25Å; I66-I68 PolarHBondContact O-N 2.99Å; I66-A69 WeakPolarHBondContact O-CB 3.47Å; I66-A69 PolarHBondContact O-N 3.28Å; I66-A69 VanDerWaalsContact O-N 3.07Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.13Å; I66-I105 HydrophobicContact CG2-CD1 3.26Å; I66-I105 HydrophobicContact CG2-CG1 3.79Å; I66-L134 HydrophobicContact CB-CD2 4.26Å; I66-L134 HydrophobicContact CD1-CD2 4.44Å; I66-L134 HydrophobicContact CG2-CD2 4.11Å
67G91.1Very high85.2Confident13 Ų1323.4 Ų23.413%0.13412%0.124CC..Hα-helixtrans-55.4-43.8177.900000111.9E63 F71E63-G67 PolarHBondContact O-N 2.91Å; G67-F71 PolarHBondContact O-N 3.4Å
68I90.4Very high83.8Confident10 Ų1030.1 Ų30.15%0.05115%0.15CC..Hα-helixtrans-69.4-38.5176.4-70.9170000112.3K16 F19 D64 I66 V70 F71 L72 W149K16-I68 HydrophobicContact CB-CD1 4.13Å; K16-I68 HydrophobicContact CD-CD1 3.24Å; K16-I68 HydrophobicContact CG-CD1 3.4Å; F19-I68 HydrophobicContact CD1-CG2 4.15Å; F19-I68 HydrophobicContact CE1-CG2 4.45Å; D64-I68 WeakPolarHBondContact O-CB 3.4Å; D64-I68 WeakPolarHBondContact O-CD1 3.42Å; D64-I68 VanDerWaalsContact O-CG1 3.3Å; D64-I68 WeakPolarHBondContact O-CG1 3.36Å; D64-I68 PolarHBondContact O-N 3.02Å; D64-I68 VanDerWaalsContact O-N 3.11Å; I66-I68 VanDerWaalsContact C-N 3.25Å; I66-I68 PolarHBondContact O-N 2.99Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.08Å; I68-F71 PolarHBondContact O-N 3.33Å; I68-L72 HydrophobicContact CG2-CD1 3.65Å; I68-L72 HydrophobicContact CG2-CG 4.03Å; I68-L72 WeakPolarHBondContact O-CB 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.47Å; I68-W149 HydrophobicContact CB-CZ3 4.42Å; I68-W149 HydrophobicContact CG1-CZ3 4.1Å; I68-W149 HydrophobicContact CG2-CZ3 3.95Å
69A93.1Very high82.3Confident0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-58.5-45.8177.100000111.1F19 F31 L33 F36 M65 I66 F71 L72 R73F19-A69 HydrophobicContact CE1-CB 3.79Å; F19-A69 HydrophobicContact CZ-CB 3.95Å; F31-A69 HydrophobicContact CE1-CB 4.38Å; F31-A69 WeakPolarHBondContact CE1-O 3.35Å; F31-A69 HydrophobicContact CZ-CB 4.27Å; L33-A69 VanDerWaalsContact CD1-C 3.5Å; L33-A69 HydrophobicContact CD1-CB 3.75Å; L33-A69 WeakPolarHBondContact CD1-O 3.23Å; F36-A69 HydrophobicContact CD1-CB 3.73Å; F36-A69 HydrophobicContact CE1-CB 3.52Å; M65-A69 WeakPolarHBondContact O-CB 3.43Å; M65-A69 PolarHBondContact O-N 3.42Å; I66-A69 WeakPolarHBondContact O-CB 3.47Å; I66-A69 PolarHBondContact O-N 3.28Å; I66-A69 VanDerWaalsContact O-N 3.07Å; A69-F71 PolarHBondContact O-N 3.12Å; A69-L72 PolarHBondContact O-N 3.39Å; A69-R73 PolarHBondContact O-N 3.09Å; A69-R73 VanDerWaalsContact O-N 3.09Å
70V94.3Very high80.9Confident0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-59.9-46176.9175.60000110.8L33 I66 I68 L72 R73 I98 F136 V162L33-V70 HydrophobicContact CD1-CG2 4.31Å; L33-V70 HydrophobicContact CD2-CG2 4.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.13Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.08Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 3.19Å; V70-R73 WeakPolarHBondContact O-CB 3.27Å; V70-R73 PolarHBondContact O-N 2.9Å; V70-I98 HydrophobicContact CG1-CG1 4.39Å; V70-I98 HydrophobicContact CG1-CG2 4.29Å; V70-F136 HydrophobicContact CB-CE2 4.01Å; V70-F136 HydrophobicContact CB-CZ 3.67Å; V70-F136 HydrophobicContact CG1-CE2 3.83Å; V70-F136 HydrophobicContact CG1-CZ 3.73Å; V70-F136 HydrophobicContact CG2-CE2 3.96Å; V70-F136 HydrophobicContact CG2-CZ 4.01Å; V70-V162 HydrophobicContact CG1-CG2 3.76Å
71F92.2Very high79.7Confident5 Ų535.6 Ų35.62%0.02219%0.191CC..Hα-helixtrans-65-33.9176.2-69.3-21000113.8G67 I68 A69 R73 I74 F136 Y143 W149 P150 L158 L159 V162G67-F71 PolarHBondContact O-N 3.4Å; I68-F71 PolarHBondContact O-N 3.33Å; A69-F71 PolarHBondContact O-N 3.12Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 3.39Å; F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 3.02Å; F71-F136 HydrophobicContact CD1-CE1 4.15Å; F71-F136 AromaticContact CE1-CD1 3.94Å; F71-F136 HydrophobicContact CE1-CD1 3.94Å; F71-F136 AromaticContact CE1-CE1 3.46Å; F71-F136 HydrophobicContact CE1-CE1 3.46Å; F71-F136 VanDerWaalsContact CE1-CE1 3.46Å; F71-F136 HydrophobicContact CE1-CZ 4.39Å; F71-F136 HydrophobicContact CE2-CE1 4.41Å; F71-F136 HydrophobicContact CZ-CD1 4.07Å; F71-F136 AromaticContact CZ-CE1 3.61Å; F71-F136 HydrophobicContact CZ-CE1 3.61Å; F71-Y143 HydrophobicContact CZ-CD1 4.38Å; F71-Y143 HydrophobicContact CZ-CG 4.38Å; F71-W149 HydrophobicContact CB-CH2 3.78Å; F71-W149 HydrophobicContact CB-CZ3 4.28Å; F71-W149 HydrophobicContact CD2-CZ3 4.44Å; F71-P150 HydrophobicContact CD2-CG 4.11Å; F71-P150 HydrophobicContact CE2-CG 3.98Å; F71-L158 HydrophobicContact CB-CD1 4.08Å; F71-L158 HydrophobicContact CB-CD2 4.34Å; F71-L158 HydrophobicContact CD1-CB 3.74Å; F71-L158 HydrophobicContact CD1-CD1 4.37Å; F71-L158 HydrophobicContact CD1-CG 4.47Å; F71-L158 HydrophobicContact CD2-CD1 4.24Å; F71-L158 HydrophobicContact CE1-CB 3.91Å; F71-L158 HydrophobicContact CG-CB 4.23Å; F71-L158 HydrophobicContact CG-CD1 4Å; F71-L159 HydrophobicContact CE1-CD2 4.01Å; F71-L159 HydrophobicContact CE1-CG 4.49Å; F71-L159 HydrophobicContact CZ-CD2 3.75Å; F71-L159 HydrophobicContact CZ-CG 4.24Å; F71-V162 HydrophobicContact CD1-CG2 4.32Å; F71-V162 HydrophobicContact CE1-CG2 4.21Å
72L91.3Very high78.2Confident10 Ų1039.4 Ų39.45%0.05222%0.223CC..Hα-helixtrans-72.6-21.6178.4-81.1175.9000113.6F19 R20 V23 R24 I68 A69 V70 I74 W149F19-L72 HydrophobicContact CD1-CD1 3.7Å; F19-L72 HydrophobicContact CE1-CD1 3.78Å; F19-L72 HydrophobicContact CG-CD1 4.19Å; F19-L72 HydrophobicContact CZ-CD1 4.31Å; R20-L72 HydrophobicContact CB-CD1 4.5Å; R20-L72 HydrophobicContact CB-CD2 4.28Å; R20-L72 HydrophobicContact CG-CD1 4.02Å; R20-L72 HydrophobicContact CG-CD2 3.97Å; R20-L72 HydrophobicContact CG-CG 4.38Å; V23-L72 HydrophobicContact CB-CB 4.39Å; V23-L72 HydrophobicContact CB-CD1 4.13Å; V23-L72 HydrophobicContact CB-CD2 4.45Å; V23-L72 HydrophobicContact CG1-CB 3.95Å; V23-L72 HydrophobicContact CG1-CD2 4.47Å; V23-L72 HydrophobicContact CG2-CD1 4.04Å; R24-L72 HydrophobicContact CG-CD2 4.2Å; I68-L72 HydrophobicContact CG2-CD1 3.65Å; I68-L72 HydrophobicContact CG2-CG 4.03Å; I68-L72 WeakPolarHBondContact O-CB 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.47Å; A69-L72 PolarHBondContact O-N 3.39Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 3.19Å; L72-I74 PolarHBondContact O-N 3.13Å; L72-W149 HydrophobicContact CD2-CH2 4.31Å; L72-W149 HydrophobicContact CG-CH2 4.36Å
73R90.4Very high76.8Confident22 Ų2244.2 Ų44.28%0.08325%0.253CS..Hα-helixtrans-67.3-27.1171.9-179.558.2-171.8123-14.9112.3N29 F31 L33 A69 V70 F71 P75 V94 D97N29-R73 PolarHBondContact O-NH1 3.18Å; F31-R73 HydrophobicContact CD1-CB 4.18Å; F31-R73 VanDerWaalsContact O-CD 3.28Å; F31-R73 WeakPolarHBondContact O-CD 3.41Å; L33-R73 HydrophobicContact CB-CB 4.03Å; L33-R73 HydrophobicContact CB-CG 3.96Å; L33-R73 HydrophobicContact CD2-CB 3.77Å; L33-R73 HydrophobicContact CD2-CG 3.94Å; L33-R73 HydrophobicContact CG-CB 4.34Å; A69-R73 PolarHBondContact O-N 3.09Å; A69-R73 VanDerWaalsContact O-N 3.09Å; V70-R73 WeakPolarHBondContact O-CB 3.27Å; V70-R73 PolarHBondContact O-N 2.9Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 3.39Å; R73-P75 WeakPolarHBondContact O-CD 3.26Å; R73-V94 HydrophobicContact CG-CG1 4.47Å; R73-D97 HydrophobicContact CG-CB 4.25Å; R73-D97 IonicContact CZ-OD2 2.8Å; R73-D97 IonicContact NE-OD2 2.68Å; R73-D97 PolarHBondContact NE-OD2 3.29Å; R73-D97 IonicContact NH2-OD2 3.5Å; R73-D97 PolarHBondContact NH2-OD2 3.29Å
74I88.9Confident75.7Confident5 Ų545.3 Ų45.33%0.02626%0.262CS..SBendtrans-75.6120.7179.2-58.5166.3000108.4F71 L72 S76 W91 I98 F157 L158 T161 V162F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 3.02Å; L72-I74 PolarHBondContact O-N 3.13Å; I74-S76 PolarHBondContact O-N 3.5Å; I74-W91 HydrophobicContact CG2-CZ3 4.45Å; I74-I98 HydrophobicContact CD1-CD1 4.43Å; I74-I98 HydrophobicContact CG1-CD1 4.06Å; I74-F157 HydrophobicContact CG2-CE1 3.76Å; I74-F157 HydrophobicContact CG2-CZ 4.38Å; I74-L158 HydrophobicContact CB-CD2 3.8Å; I74-L158 HydrophobicContact CD1-CB 4.3Å; I74-L158 HydrophobicContact CD1-CD2 3.7Å; I74-L158 HydrophobicContact CG1-CD2 4.34Å; I74-L158 HydrophobicContact CG2-CD2 3.91Å; I74-T161 HydrophobicContact CD1-CG2 3.94Å; I74-T161 HydrophobicContact CG1-CG2 3.99Å; I74-T161 HydrophobicContact CG2-CG2 4.06Å; I74-V162 HydrophobicContact CD1-CG2 4.05Å
75P80Confident75.2Confident27 Ų2745.6 Ų45.618%0.17526%0.26CS..  trans-56.2137.5-178.6-24.733.6000112.7R73 V94R73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-V94 HydrophobicContact CG-CG2 4.44Å
76S70.7Confident74.3Confident70 Ų7053.8 Ų53.849%0.4930%0.296SS..  trans-107.299.1179.659.30000111.7I74I74-S76 PolarHBondContact O-N 3.5Å
77S58.2Low73.7Confident79 Ų7957.4 Ų57.455%0.55232%0.315SS*.  trans-170.3126.6161.453.30000112.7E79 H81S77-E79 PolarHBondContact O-N 2.96Å; S77-H81 PolarHBondContact O-CE1 3.24Å; S77-H81 PolarHBondContact O-ND1 3.28Å
78R51.4Low73.1Confident198 Ų19859 Ų5975%0.74733%0.327SS*.SBendtrans-75.9-11.3-165.5-70.4-179.2175.8-173.9-4.9116.4S153R78-S153 PolarHBondContact NH2-OG 2.82Å
79E49Very low72.7Confident193 Ų19362.2 Ų62.290%0.90235%0.35SS*.SBendtrans-104-28.5-164.7-68.4178.4174.300115.2S77S77-E79 PolarHBondContact O-N 2.96Å
80G51.1Low72.2Confident37 Ų3767.1 Ų67.138%0.38138%0.376SS..SBendtrans-99.3-4-178.100000115.6T83 S84G80-T83 PolarHBondContact O-OG1 3.25Å; G80-S84 VanDerWaalsContact O-CB 3.25Å; G80-S84 WeakPolarHBondContact O-CB 3.47Å; G80-S84 PolarHBondContact O-N 3.32Å
81H54.8Low71.9Confident30 Ų3067.4 Ų67.414%0.13938%0.377CS..Hα-helixtrans-81.9-30.2-165.6-82.855.8000114.5S77 T83 S84 R85 W91S77-H81 PolarHBondContact O-CE1 3.24Å; S77-H81 PolarHBondContact O-ND1 3.28Å; H81-T83 PolarHBondContact O-N 3.11Å; H81-S84 PolarHBondContact O-N 2.73Å; H81-R85 VanDerWaalsContact O-CB 3.28Å; H81-R85 WeakPolarHBondContact O-CB 3.46Å; H81-R85 VanDerWaalsContact O-CG 3.31Å; H81-R85 WeakPolarHBondContact O-CG 3.39Å; H81-R85 PolarHBondContact O-N 3.26Å; H81-W91 AromaticContact CD2-CH2 3.59Å; H81-W91 AromaticContact CD2-CZ2 3.39Å; H81-W91 WeakPolarHBondContact CD2-CZ2 3.46Å; H81-W91 AromaticContact NE2-CH2 3.78Å; H81-W91 AromaticContact NE2-CZ2 3.77Å
82A55Low71.7Confident86 Ų8670.9 Ų70.971%0.71139%0.393SS*.Hα-helixtrans-64.1-34.1176.200000111.6
83T56.4Low71.6Confident102 Ų10273.7 Ų73.763%0.62641%0.412SS*.Hα-helixtrans-79.1-44.8171.9350000111.8G80 H81 R85 K86G80-T83 PolarHBondContact O-OG1 3.25Å; H81-T83 PolarHBondContact O-N 3.11Å; T83-R85 PolarHBondContact O-N 2.76Å; T83-K86 WeakPolarHBondContact O-CB 3.5Å; T83-K86 PolarHBondContact O-N 2.9Å
84S62.6Low71.6Confident33 Ų3373 Ų7323%0.23141%0.411CS..Hα-helixtrans-66.5-33.9-179.6169.10000114G80 H81 K86 D87 W91G80-S84 VanDerWaalsContact O-CB 3.25Å; G80-S84 WeakPolarHBondContact O-CB 3.47Å; G80-S84 PolarHBondContact O-N 3.32Å; H81-S84 PolarHBondContact O-N 2.73Å; S84-K86 PolarHBondContact O-N 3.38Å; S84-D87 CarbonylContact O-C 3.58Å; S84-D87 PolarHBondContact O-N 3.24Å; S84-W91 PolarHBondContact O-NE1 3.46Å; S84-W91 PolarHBondContact OG-NE1 2.93Å
85R75.9Confident71.9Confident37 Ų3772.9 Ų72.914%0.1441%0.41CS..THydrogen-bonded Turntrans-65.5-20.1176.4-75.8-174.163.2133.80.3112.6H81 T83 D87 W91 E164 F207 N208H81-R85 VanDerWaalsContact O-CB 3.28Å; H81-R85 WeakPolarHBondContact O-CB 3.46Å; H81-R85 VanDerWaalsContact O-CG 3.31Å; H81-R85 WeakPolarHBondContact O-CG 3.39Å; H81-R85 PolarHBondContact O-N 3.26Å; T83-R85 PolarHBondContact O-N 2.76Å; R85-D87 VanDerWaalsContact C-N 3.26Å; R85-W91 HydrophobicContact CG-CZ2 3.72Å; R85-E164 IonicContact CZ-OE1 3.3Å; R85-E164 IonicContact CZ-OE2 3.09Å; R85-E164 VanDerWaalsContact CZ-OE2 3.26Å; R85-E164 IonicContact NH1-OE1 2.84Å; R85-E164 IonicContact NH1-OE2 3.71Å; R85-E164 PolarHBondContact NH1-OE2 3.05Å; R85-E164 IonicContact NH2-OE1 2.87Å; R85-E164 PolarHBondContact NH2-OE1 3.34Å; R85-E164 IonicContact NH2-OE2 3.35Å; R85-E164 PolarHBondContact NH2-OE2 3.11Å; R85-F207 HydrophobicContact CG-CE2 4.49Å; R85-N208 PolarHBondContact O-ND2 3.03Å; R85-N208 PolarHBondContact O-OD1 3.49Å
86K72.2Confident72.6Confident173 Ų17373.8 Ų73.875%0.75241%0.412SS*.THydrogen-bonded Turntrans-69-27.3170.9-62.2-175.3177.9-174.60112.1T83 S84 A88T83-K86 WeakPolarHBondContact O-CB 3.5Å; T83-K86 PolarHBondContact O-N 2.9Å; S84-K86 PolarHBondContact O-N 3.38Å; K86-A88 PolarHBondContact O-N 3.33Å
87D78.7Confident73.7Confident76 Ų7671.6 Ų71.641%0.40640%0.395SS..  trans-9289.9176.5-166.2-11.1000110.2S84 R85 S89 L90S84-D87 CarbonylContact O-C 3.58Å; S84-D87 PolarHBondContact O-N 3.24Å; R85-D87 VanDerWaalsContact C-N 3.26Å; D87-S89 PolarHBondContact O-N 3.34Å; D87-S89 VanDerWaalsContact O-N 3.15Å; D87-S89 WeakPolarHBondContact OD1-CB 3.12Å; D87-S89 PolarHBondContact OD1-N 3.1Å; D87-S89 PolarHBondContact OD1-OG 3.3Å; D87-L90 HydrophobicContact CB-CD1 4.06Å; D87-L90 HydrophobicContact CB-CG 4.31Å; D87-L90 PolarHBondContact O-N 3.5Å
88A79.5Confident75.5Confident45 Ų4567.9 Ų67.937%0.37237%0.368SS..G310 helixtrans-59.4-27.1-176.200000113.3K86 L90 W91 E92 F207K86-A88 PolarHBondContact O-N 3.33Å; A88-L90 PolarHBondContact O-N 3.1Å; A88-W91 PolarHBondContact O-N 2.87Å; A88-W91 VanDerWaalsContact O-N 3.12Å; A88-E92 PolarHBondContact O-N 3.3Å; A88-F207 HydrophobicContact CB-CE1 4.14Å
89S81.2Confident77.7Confident79 Ų7959 Ų5955%0.55234%0.335SS*.G310 helixtrans-62.1-31.7-177.372.30000113D87 W91D87-S89 PolarHBondContact O-N 3.34Å; D87-S89 VanDerWaalsContact O-N 3.15Å; D87-S89 WeakPolarHBondContact OD1-CB 3.12Å; D87-S89 PolarHBondContact OD1-N 3.1Å; D87-S89 PolarHBondContact OD1-OG 3.3Å; S89-W91 VanDerWaalsContact C-N 3.31Å; S89-W91 PolarHBondContact O-N 3.31Å
90L81.7Confident80Confident102 Ų10255.4 Ų55.453%0.53431%0.313SS..G310 helixtrans-73.8-23179.5-61.7177000113D87 A88D87-L90 HydrophobicContact CB-CD1 4.06Å; D87-L90 HydrophobicContact CB-CG 4.31Å; D87-L90 PolarHBondContact O-N 3.5Å; A88-L90 PolarHBondContact O-N 3.1Å
91W88.2Confident82.2Confident6 Ų653.6 Ų53.62%0.02330%0.295CS..THydrogen-bonded Turntrans-96.2-20.8-175.9-73.486.2000113.5I74 H81 S84 R85 A88 S89 P93 V94 H95 F157 T161 F207I74-W91 HydrophobicContact CG2-CZ3 4.45Å; H81-W91 AromaticContact CD2-CH2 3.59Å; H81-W91 AromaticContact CD2-CZ2 3.39Å; H81-W91 WeakPolarHBondContact CD2-CZ2 3.46Å; H81-W91 AromaticContact NE2-CH2 3.78Å; H81-W91 AromaticContact NE2-CZ2 3.77Å; S84-W91 PolarHBondContact O-NE1 3.46Å; S84-W91 PolarHBondContact OG-NE1 2.93Å; R85-W91 HydrophobicContact CG-CZ2 3.72Å; A88-W91 PolarHBondContact O-N 2.87Å; A88-W91 VanDerWaalsContact O-N 3.12Å; S89-W91 VanDerWaalsContact C-N 3.31Å; S89-W91 PolarHBondContact O-N 3.31Å; W91-P93 VanDerWaalsContact C-CD 3.49Å; W91-V94 HydrophobicContact CE3-CB 4.46Å; W91-V94 HydrophobicContact CE3-CG1 4.46Å; W91-V94 WeakPolarHBondContact O-CB 3.39Å; W91-V94 PolarHBondContact O-N 2.82Å; W91-H95 PolarHBondContact O-CD2 3.06Å; W91-H95 VanDerWaalsContact O-CD2 3.27Å; W91-H95 PolarHBondContact O-N 3.13Å; W91-F157 HydrophobicContact CH2-CZ 4.15Å; W91-T161 HydrophobicContact CE3-CG2 4.45Å; W91-T161 HydrophobicContact CZ3-CG2 3.97Å; W91-F207 HydrophobicContact CB-CE1 3.84Å; W91-F207 HydrophobicContact CB-CE2 4.44Å; W91-F207 HydrophobicContact CB-CZ 3.62Å; W91-F207 AromaticContact CD1-CZ 3.69Å; W91-F207 HydrophobicContact CD2-CE2 4.33Å; W91-F207 HydrophobicContact CD2-CZ 4.06Å; W91-F207 HydrophobicContact CG-CE1 4.17Å; W91-F207 HydrophobicContact CG-CE2 4.18Å; W91-F207 AromaticContact CG-CZ 3.47Å; W91-F207 HydrophobicContact CG-CZ 3.47Å; W91-F207 VanDerWaalsContact CG-CZ 3.47Å
92E89Confident84.2Confident78 Ų7852.2 Ų52.236%0.36429%0.288SS..Hα-helixtrans-53.2-43.5-179.9-172.759-148.900113.3A88 V94 H95 Q96 R99A88-E92 PolarHBondContact O-N 3.3Å; E92-V94 VanDerWaalsContact C-N 3.34Å; E92-V94 PolarHBondContact O-N 2.63Å; E92-H95 PolarHBondContact O-N 2.7Å; E92-Q96 VanDerWaalsContact O-CB 3.25Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 PolarHBondContact O-N 3.09Å; E92-R99 IonicContact OE1-CZ 2.76Å; E92-R99 IonicContact OE1-NH2 3.88Å; E92-R99 PolarHBondContact OE1-NH2 3.25Å
93P89.4Confident86.1Confident69 Ų6949.3 Ų49.345%0.44826%0.26SS..Hα-helixtrans-63.1-37.9175.9-22.134.5000113.2W91 Q96 D97W91-P93 VanDerWaalsContact C-CD 3.49Å; P93-Q96 PolarHBondContact O-N 2.89Å; P93-D97 WeakPolarHBondContact O-CB 3.47Å; P93-D97 VanDerWaalsContact O-CG 3.27Å; P93-D97 PolarHBondContact O-N 3.15Å
94V90.7Very high87.9Confident9 Ų947 Ų476%0.05524%0.242CC..Hα-helixtrans-66.3-48.8178.6178.80000110R73 P75 W91 E92 Q96 D97 I98R73-V94 HydrophobicContact CG-CG1 4.47Å; P75-V94 HydrophobicContact CG-CG2 4.44Å; W91-V94 HydrophobicContact CE3-CB 4.46Å; W91-V94 HydrophobicContact CE3-CG1 4.46Å; W91-V94 WeakPolarHBondContact O-CB 3.39Å; W91-V94 PolarHBondContact O-N 2.82Å; E92-V94 VanDerWaalsContact C-N 3.34Å; E92-V94 PolarHBondContact O-N 2.63Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.89Å; V94-D97 PolarHBondContact O-N 2.97Å; V94-I98 HydrophobicContact CG1-CD1 4.01Å; V94-I98 WeakPolarHBondContact O-CG1 3.3Å; V94-I98 PolarHBondContact O-N 2.99Å
95H93.6Very high89.4Confident1 Ų145.4 Ų45.41%0.00523%0.231CC..Hα-helixtrans-61.4-40.2176.8-67.3-49000111.9W91 E92 I98 R99 S165 F207W91-H95 PolarHBondContact O-CD2 3.06Å; W91-H95 VanDerWaalsContact O-CD2 3.27Å; W91-H95 PolarHBondContact O-N 3.13Å; E92-H95 PolarHBondContact O-N 2.7Å; H95-I98 PolarHBondContact O-N 3.19Å; H95-R99 WeakPolarHBondContact O-CB 3.03Å; H95-R99 VanDerWaalsContact O-CG 3.26Å; H95-R99 WeakPolarHBondContact O-CG 3.25Å; H95-R99 PolarHBondContact O-N 3.09Å; H95-R99 PolarHBondContact O-NE 2.8Å; H95-S165 WeakPolarHBondContact ND1-CA 3.33Å; H95-S165 PolarHBondContact ND1-OG 3.45Å; H95-F207 AromaticContact CE1-CD2 3.96Å; H95-F207 AromaticContact NE2-CD1 3.7Å; H95-F207 AromaticContact NE2-CD2 3.51Å; H95-F207 AromaticContact NE2-CE1 3.88Å; H95-F207 AromaticContact NE2-CE2 3.71Å; H95-F207 AromaticContact NE2-CG 3.52Å; H95-F207 AromaticContact NE2-CZ 3.9Å
96Q94.7Very high90.2Very high47 Ų4743.6 Ų43.622%0.2222%0.224CC..Hα-helixtrans-68.5-38.7178.5-174.263.6-14.200112.6E92 P93 V94 R99 R100E92-Q96 VanDerWaalsContact O-CB 3.25Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 PolarHBondContact O-N 3.09Å; P93-Q96 PolarHBondContact O-N 2.89Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.89Å; Q96-R99 PolarHBondContact O-N 3.28Å; Q96-R99 VanDerWaalsContact OE1-NH2 3.09Å; Q96-R100 WeakPolarHBondContact O-CB 3.39Å; Q96-R100 WeakPolarHBondContact O-CG 3.46Å; Q96-R100 PolarHBondContact O-N 3.31Å
97D95Very high91.1Very high24 Ų2437 Ų3713%0.12820%0.198CC..Hα-helixtrans-65.6-42174.9-77.1-20.1000112L33 P34 R73 P93 V94 R100 A101L33-D97 HydrophobicContact CB-CB 4.46Å; P34-D97 HydrophobicContact CG-CB 4.18Å; P34-D97 WeakPolarHBondContact CG-O 3.38Å; R73-D97 HydrophobicContact CG-CB 4.25Å; R73-D97 IonicContact CZ-OD2 2.8Å; R73-D97 IonicContact NE-OD2 2.68Å; R73-D97 PolarHBondContact NE-OD2 3.29Å; R73-D97 IonicContact NH2-OD2 3.5Å; R73-D97 PolarHBondContact NH2-OD2 3.29Å; P93-D97 WeakPolarHBondContact O-CB 3.47Å; P93-D97 VanDerWaalsContact O-CG 3.27Å; P93-D97 PolarHBondContact O-N 3.15Å; V94-D97 PolarHBondContact O-N 2.97Å; D97-R100 PolarHBondContact O-N 3.04Å; D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.34Å; D97-A101 PolarHBondContact O-N 3.37Å
98I96.1Very high91.6Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-61.5-49.7175.2-67.9168.2000110L33 V70 I74 V94 H95 R100 A101 L102 V162 S165L33-I98 HydrophobicContact CD2-CG1 4.17Å; V70-I98 HydrophobicContact CG1-CG1 4.39Å; V70-I98 HydrophobicContact CG1-CG2 4.29Å; I74-I98 HydrophobicContact CD1-CD1 4.43Å; I74-I98 HydrophobicContact CG1-CD1 4.06Å; V94-I98 HydrophobicContact CG1-CD1 4.01Å; V94-I98 WeakPolarHBondContact O-CG1 3.3Å; V94-I98 PolarHBondContact O-N 2.99Å; H95-I98 PolarHBondContact O-N 3.19Å; I98-R100 VanDerWaalsContact C-N 3.35Å; I98-R100 PolarHBondContact O-N 3.48Å; I98-A101 PolarHBondContact O-N 3.48Å; I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 HydrophobicContact CG2-CG 4.37Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.42Å; I98-V162 HydrophobicContact CG2-CG1 4.37Å; I98-S165 WeakPolarHBondContact CD1-OG 3.35Å
99R97.1Very high92Very high12 Ų1231.8 Ų31.85%0.04516%0.163CC..Hα-helixtrans-56.2-45.6178.7-78.3-177-74.9178.7-1.9112.6E92 H95 Q96 H103 S165 L168E92-R99 IonicContact OE1-CZ 2.76Å; E92-R99 IonicContact OE1-NH2 3.88Å; E92-R99 PolarHBondContact OE1-NH2 3.25Å; H95-R99 WeakPolarHBondContact O-CB 3.03Å; H95-R99 VanDerWaalsContact O-CG 3.26Å; H95-R99 WeakPolarHBondContact O-CG 3.25Å; H95-R99 PolarHBondContact O-N 3.09Å; H95-R99 PolarHBondContact O-NE 2.8Å; Q96-R99 PolarHBondContact O-N 3.28Å; Q96-R99 VanDerWaalsContact OE1-NH2 3.09Å; R99-H103 PolarHBondContact O-N 3.33Å; R99-S165 WeakPolarHBondContact CD-O 3.05Å; R99-S165 WeakPolarHBondContact CG-O 3.32Å; R99-L168 HydrophobicContact CB-CD2 3.86Å; R99-L168 HydrophobicContact CB-CG 3.92Å
100R97.3Very high92.2Very high117 Ų11729.5 Ų29.544%0.44214%0.143SC..Hα-helixtrans-66.5-42.4177.1-72.5175.6-173.2166.1-1.8112P34 Q96 D97 I98 L102 H103 E104 L168P34-R100 HydrophobicContact CB-CB 3.96Å; P34-R100 HydrophobicContact CG-CB 3.72Å; Q96-R100 WeakPolarHBondContact O-CB 3.39Å; Q96-R100 WeakPolarHBondContact O-CG 3.46Å; Q96-R100 PolarHBondContact O-N 3.31Å; D97-R100 PolarHBondContact O-N 3.04Å; I98-R100 VanDerWaalsContact C-N 3.35Å; I98-R100 PolarHBondContact O-N 3.48Å; R100-L102 PolarHBondContact O-N 2.84Å; R100-H103 WeakPolarHBondContact O-CB 3.45Å; R100-H103 PolarHBondContact O-N 3.23Å; R100-E104 WeakPolarHBondContact O-CG 3.5Å; R100-E104 PolarHBondContact O-N 3.44Å; R100-L168 HydrophobicContact CG-CD1 4.06Å
101A96.9Very high92.3Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-62.5-43.2178.100000112.3L33 D97 I98 H103 E104 I105L33-A101 HydrophobicContact CD1-CB 4.33Å; L33-A101 HydrophobicContact CD2-CB 3.6Å; L33-A101 HydrophobicContact CG-CB 3.58Å; D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.34Å; D97-A101 PolarHBondContact O-N 3.37Å; I98-A101 PolarHBondContact O-N 3.48Å; A101-H103 VanDerWaalsContact C-N 3.27Å; A101-H103 PolarHBondContact O-N 3.43Å; A101-E104 PolarHBondContact O-N 2.98Å; A101-I105 VanDerWaalsContact O-CD1 3.32Å; A101-I105 WeakPolarHBondContact O-CD1 3.4Å; A101-I105 WeakPolarHBondContact O-CG1 3.29Å; A101-I105 PolarHBondContact O-N 3.47Å
102L96.2Very high91.9Very high0 Ų029.2 Ų29.20%014%0.144CC..Hα-helixtrans-59.6-38.8174-66.6179000111.9I98 R100 I105 V106 L135 F136 V167I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 HydrophobicContact CG2-CG 4.37Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.42Å; R100-L102 PolarHBondContact O-N 2.84Å; L102-I105 HydrophobicContact CD2-CD1 4.3Å; L102-I105 PolarHBondContact O-N 2.91Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 2.77Å; L102-V106 VanDerWaalsContact O-N 3.08Å; L102-L135 HydrophobicContact CB-CD2 4.43Å; L102-L135 HydrophobicContact CD2-CD2 4.43Å; L102-F136 HydrophobicContact CD2-CD2 3.98Å; L102-F136 HydrophobicContact CD2-CE2 4.01Å; L102-V167 HydrophobicContact CD1-CG1 4.1Å
103H96.1Very high91.5Very high25 Ų2525.6 Ų25.612%0.11613%0.128CC..Hα-helixtrans-62.2-49.8174-177.558.1000112.3R99 R100 A101 I105 V106 V107 L168 T171R99-H103 PolarHBondContact O-N 3.33Å; R100-H103 WeakPolarHBondContact O-CB 3.45Å; R100-H103 PolarHBondContact O-N 3.23Å; A101-H103 VanDerWaalsContact C-N 3.27Å; A101-H103 PolarHBondContact O-N 3.43Å; H103-I105 PolarHBondContact O-N 3.28Å; H103-V106 PolarHBondContact O-N 3.34Å; H103-V106 VanDerWaalsContact O-N 3.11Å; H103-V107 WeakPolarHBondContact O-CG2 3.45Å; H103-V107 PolarHBondContact O-N 2.79Å; H103-L168 HydrophobicContact CB-CD1 4.03Å; H103-T171 WeakPolarHBondContact CB-OG1 3.4Å
104E94.9Very high90.9Very high53 Ų5324.2 Ų24.225%0.24812%0.115CC..Hα-helixtrans-58-38.1177.6-65.6-54.4141.100112Q38 R100 A101 V107 W108Q38-E104 HydrophobicContact CB-CG 4.46Å; R100-E104 WeakPolarHBondContact O-CG 3.5Å; R100-E104 PolarHBondContact O-N 3.44Å; A101-E104 PolarHBondContact O-N 2.98Å; E104-V107 PolarHBondContact O-N 2.94Å; E104-W108 WeakPolarHBondContact O-CB 3.18Å; E104-W108 PolarHBondContact O-N 2.83Å
105I93.3Very high90.4Very high0 Ų031.1 Ų31.10%014%0.14CC..Hα-helixtrans-63.5-46.1176.3-66.2158.3000110.9L41 I66 A101 L102 H103 W108 L109 L134L41-I105 HydrophobicContact CD1-CG1 4.3Å; I66-I105 HydrophobicContact CG2-CD1 3.26Å; I66-I105 HydrophobicContact CG2-CG1 3.79Å; A101-I105 VanDerWaalsContact O-CD1 3.32Å; A101-I105 WeakPolarHBondContact O-CD1 3.4Å; A101-I105 WeakPolarHBondContact O-CG1 3.29Å; A101-I105 PolarHBondContact O-N 3.47Å; L102-I105 HydrophobicContact CD2-CD1 4.3Å; L102-I105 PolarHBondContact O-N 2.91Å; H103-I105 PolarHBondContact O-N 3.28Å; I105-W108 PolarHBondContact O-N 3.37Å; I105-L109 HydrophobicContact CG2-CD1 4.17Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.89Å; I105-L134 HydrophobicContact CG2-CB 3.88Å; I105-L134 HydrophobicContact CG2-CD1 3.89Å; I105-L134 HydrophobicContact CG2-CG 4.38Å
106V92.6Very high89.7Confident0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-63.8-42.6177.9170.30000111.5L102 H103 W108 L109 K110 L135 T171 E174 L175L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 2.77Å; L102-V106 VanDerWaalsContact O-N 3.08Å; H103-V106 PolarHBondContact O-N 3.34Å; H103-V106 VanDerWaalsContact O-N 3.11Å; V106-W108 VanDerWaalsContact C-N 3.31Å; V106-W108 PolarHBondContact O-N 3.25Å; V106-L109 PolarHBondContact O-N 2.98Å; V106-K110 WeakPolarHBondContact O-CB 3.49Å; V106-K110 PolarHBondContact O-N 3.46Å; V106-L135 HydrophobicContact CG2-CD1 4.31Å; V106-L135 HydrophobicContact CG2-CD2 3.7Å; V106-L135 HydrophobicContact CG2-CG 4.34Å; V106-T171 HydrophobicContact CB-CG2 4.22Å; V106-T171 HydrophobicContact CG2-CG2 3.74Å; V106-E174 HydrophobicContact CG1-CB 3.85Å; V106-L175 HydrophobicContact CG1-CD2 3.92Å; V106-L175 HydrophobicContact CG1-CG 4.17Å; V106-L175 HydrophobicContact CG2-CD2 4.22Å
107V91Very high88.8Confident33 Ų3331.1 Ų31.120%0.214%0.143CC..Hα-helixtrans-60.3-43176.4171.70000110.7H103 E104 K110 N111 E174H103-V107 WeakPolarHBondContact O-CG2 3.45Å; H103-V107 PolarHBondContact O-N 2.79Å; E104-V107 PolarHBondContact O-N 2.94Å; V107-K110 PolarHBondContact O-N 2.83Å; V107-N111 WeakPolarHBondContact CG1-ND2 3.44Å; V107-N111 WeakPolarHBondContact O-CB 3.32Å; V107-N111 PolarHBondContact O-N 2.88Å; V107-N111 PolarHBondContact O-ND2 3.15Å; V107-E174 HydrophobicContact CG2-CG 4.31Å
108W89.6Confident88Confident9 Ų938.1 Ų38.13%0.03417%0.168CC..Hα-helixtrans-65.8-43.7175.5174.380.9000112.9L41 S45 Y59 L62 E104 I105 V106 K110 N111 S112 V113 F117L41-W108 HydrophobicContact CB-CB 4.43Å; L41-W108 HydrophobicContact CB-CD2 4.36Å; L41-W108 HydrophobicContact CB-CG 3.92Å; L41-W108 HydrophobicContact CD1-CB 3.78Å; L41-W108 HydrophobicContact CD1-CD2 4.11Å; L41-W108 HydrophobicContact CD1-CE3 4.37Å; L41-W108 HydrophobicContact CD1-CG 3.84Å; L41-W108 HydrophobicContact CD2-CD2 3.51Å; L41-W108 HydrophobicContact CD2-CE3 3.77Å; L41-W108 HydrophobicContact CD2-CG 3.95Å; L41-W108 HydrophobicContact CD2-CH2 4.12Å; L41-W108 HydrophobicContact CD2-CZ2 3.89Å; L41-W108 HydrophobicContact CD2-CZ3 4.07Å; L41-W108 HydrophobicContact CG-CD2 4.2Å; L41-W108 HydrophobicContact CG-CG 4.11Å; S45-W108 PolarHBondContact OG-NE1 3.01Å; Y59-W108 HydrophobicContact CD2-CH2 4.19Å; Y59-W108 AromaticContact CE2-CH2 3.61Å; Y59-W108 HydrophobicContact CE2-CH2 3.61Å; Y59-W108 HydrophobicContact CE2-CZ2 4.48Å; Y59-W108 HydrophobicContact CE2-CZ3 4.24Å; L62-W108 HydrophobicContact CD1-CH2 4.41Å; L62-W108 HydrophobicContact CD1-CZ2 4.22Å; E104-W108 WeakPolarHBondContact O-CB 3.18Å; E104-W108 PolarHBondContact O-N 2.83Å; I105-W108 PolarHBondContact O-N 3.37Å; V106-W108 VanDerWaalsContact C-N 3.31Å; V106-W108 PolarHBondContact O-N 3.25Å; W108-K110 VanDerWaalsContact C-N 3.29Å; W108-K110 PolarHBondContact O-N 3.28Å; W108-N111 PolarHBondContact O-N 3.21Å; W108-S112 VanDerWaalsContact CD1-CB 3.46Å; W108-S112 WeakPolarHBondContact O-CA 3.3Å; W108-S112 WeakPolarHBondContact O-CB 3.49Å; W108-S112 PolarHBondContact O-N 3.29Å; W108-V113 HydrophobicContact CD2-CG2 3.96Å; W108-V113 HydrophobicContact CE3-CG2 3.74Å; W108-V113 HydrophobicContact CH2-CG2 3.5Å; W108-V113 VanDerWaalsContact CH2-CG2 3.5Å; W108-V113 HydrophobicContact CZ2-CG2 3.69Å; W108-V113 HydrophobicContact CZ3-CG2 3.51Å; W108-V113 PolarHBondContact O-N 2.98Å; W108-F117 AromaticContact CZ2-CE2 3.79Å; W108-F117 HydrophobicContact CZ2-CE2 3.79Å; W108-F117 HydrophobicContact CZ2-CZ 4.08Å
109L87.7Confident87Confident3 Ų338.6 Ų38.62%0.01617%0.17CC..Iπ-helixtrans-57.2-43.5175.6-74.6173.6000111.5I105 V106 V113 Y131 L134I105-L109 HydrophobicContact CG2-CD1 4.17Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.89Å; V106-L109 PolarHBondContact O-N 2.98Å; L109-V113 HydrophobicContact CD2-CG2 3.96Å; L109-Y131 HydrophobicContact CB-CE1 3.85Å; L109-Y131 HydrophobicContact CB-CE2 4.25Å; L109-Y131 HydrophobicContact CD1-CD1 3.65Å; L109-Y131 HydrophobicContact CD1-CD2 4.27Å; L109-Y131 HydrophobicContact CD1-CE1 3.72Å; L109-Y131 HydrophobicContact CD1-CE2 4.32Å; L109-Y131 HydrophobicContact CD1-CG 3.95Å; L109-Y131 HydrophobicContact CG-CE1 4.44Å; L109-L134 HydrophobicContact CD1-CD1 4.02Å; L109-L134 HydrophobicContact CD2-CD1 3.9Å; L109-L134 HydrophobicContact CG-CD1 4.26Å
110K84.8Confident86.1Confident31 Ų3140.6 Ų40.614%0.13519%0.186CC..Iπ-helixtrans-66.9-51.8177.5175.7177.6174.4175.30112.3V106 V107 W108 E174 V178 L184V106-K110 WeakPolarHBondContact O-CB 3.49Å; V106-K110 PolarHBondContact O-N 3.46Å; V107-K110 PolarHBondContact O-N 2.83Å; W108-K110 VanDerWaalsContact C-N 3.29Å; W108-K110 PolarHBondContact O-N 3.28Å; K110-E174 VanDerWaalsContact CD-OE2 3.26Å; K110-E174 WeakPolarHBondContact CD-OE2 3.31Å; K110-E174 WeakPolarHBondContact CE-OE2 3.26Å; K110-E174 IonicContact NZ-OE2 3.86Å; K110-E174 PolarHBondContact NZ-OE2 2.72Å; K110-V178 HydrophobicContact CG-CG1 4.18Å; K110-L184 HydrophobicContact CG-CD1 4.3Å
111N83.4Confident85.2Confident81 Ų8141.5 Ų41.543%0.43319%0.193SC..Iπ-helixtrans-89.6-34.7-166.2-67.2-29000114.1V107 W108V107-N111 WeakPolarHBondContact CG1-ND2 3.44Å; V107-N111 WeakPolarHBondContact O-CB 3.32Å; V107-N111 PolarHBondContact O-N 2.88Å; V107-N111 PolarHBondContact O-ND2 3.15Å; W108-N111 PolarHBondContact O-N 3.21Å
112S81.5Confident84.3Confident21 Ų2148.2 Ų48.215%0.14723%0.225CC..Iπ-helixtrans-108-36-167.3-63.80000113W108 T116W108-S112 VanDerWaalsContact CD1-CB 3.46Å; W108-S112 WeakPolarHBondContact O-CA 3.3Å; W108-S112 WeakPolarHBondContact O-CB 3.49Å; W108-S112 PolarHBondContact O-N 3.29Å; S112-T116 WeakPolarHBondContact O-CA 3.25Å; S112-T116 WeakPolarHBondContact O-CB 3.1Å; S112-T116 PolarHBondContact O-N 3.04Å; S112-T116 PolarHBondContact O-OG1 3.35Å
113V79.2Confident83.5Confident3 Ų351 Ų512%0.01824%0.24CC..Iπ-helixtrans-65.9-49.6-170.7174.20000112.4Y59 W108 L109 F117 L119 Y124Y59-V113 HydrophobicContact CE2-CB 4.49Å; Y59-V113 HydrophobicContact CE2-CG1 3.75Å; Y59-V113 HydrophobicContact CE2-CG2 3.89Å; W108-V113 HydrophobicContact CD2-CG2 3.96Å; W108-V113 HydrophobicContact CE3-CG2 3.74Å; W108-V113 HydrophobicContact CH2-CG2 3.5Å; W108-V113 VanDerWaalsContact CH2-CG2 3.5Å; W108-V113 HydrophobicContact CZ2-CG2 3.69Å; W108-V113 HydrophobicContact CZ3-CG2 3.51Å; W108-V113 PolarHBondContact O-N 2.98Å; L109-V113 HydrophobicContact CD2-CG2 3.96Å; V113-F117 VanDerWaalsContact O-CB 3.24Å; V113-F117 WeakPolarHBondContact O-CB 3.33Å; V113-F117 PolarHBondContact O-N 3.38Å; V113-L119 HydrophobicContact CG1-CD1 3.65Å; V113-Y124 HydrophobicContact CG1-CE2 4.45Å
114F77.8Confident82.7Confident40 Ų4050.1 Ų50.118%0.17524%0.235CC..Hα-helixtrans-66.8-48.8178.9-174.2-114.9000112.2R118 L119 Y124 L184 P185F114-R118 WeakPolarHBondContact O-CA 3.42Å; F114-R118 PolarHBondContact O-N 3.33Å; F114-L119 HydrophobicContact CD2-CB 4.4Å; F114-L119 WeakPolarHBondContact CE2-O 3.3Å; F114-L119 PolarHBondContact O-N 2.93Å; F114-Y124 HydrophobicContact CB-CD2 3.76Å; F114-Y124 HydrophobicContact CB-CE2 3.67Å; F114-Y124 HydrophobicContact CD2-CD1 4.43Å; F114-Y124 AromaticContact CD2-CD2 3.68Å; F114-Y124 HydrophobicContact CD2-CD2 3.68Å; F114-Y124 HydrophobicContact CD2-CE2 4.38Å; F114-Y124 AromaticContact CD2-CG 3.7Å; F114-Y124 HydrophobicContact CD2-CG 3.7Å; F114-Y124 HydrophobicContact CE2-CG 4.42Å; F114-Y124 HydrophobicContact CG-CD2 4.15Å; F114-Y124 HydrophobicContact CG-CE2 4.41Å; F114-Y124 HydrophobicContact CG-CG 4.46Å; F114-L184 HydrophobicContact CB-CD2 3.61Å; F114-L184 HydrophobicContact CD1-CD2 3.67Å; F114-L184 HydrophobicContact CG-CD2 3.88Å; F114-P185 HydrophobicContact CD2-CG 3.87Å; F114-P185 HydrophobicContact CE1-CG 4.33Å; F114-P185 HydrophobicContact CE2-CG 3.4Å; F114-P185 HydrophobicContact CZ-CG 3.65Å
115R80.1Confident81.9Confident154 Ų15451.5 Ų51.558%0.58124%0.244SC*.Hα-helixtrans-76.1-52-170.7-64.1-178.5177-160.41.9112.8R118 D183R115-R118 PolarHBondContact O-N 3.06Å; R115-D183 IonicContact CZ-OD2 2.93Å; R115-D183 IonicContact NH2-OD2 3.41Å; R115-D183 PolarHBondContact NH2-OD2 3.44Å
116T77.8Confident81Confident47 Ų4759.8 Ų59.829%0.28828%0.275SS..Hα-helixtrans-73-39.9-176.2-50.60000111.2S45 F48 S112 R118S45-T116 VanDerWaalsContact O-CG2 3.29Å; S45-T116 WeakPolarHBondContact O-CG2 3.38Å; F48-T116 HydrophobicContact CB-CG2 4.49Å; S112-T116 WeakPolarHBondContact O-CA 3.25Å; S112-T116 WeakPolarHBondContact O-CB 3.1Å; S112-T116 PolarHBondContact O-N 3.04Å; S112-T116 PolarHBondContact O-OG1 3.35Å; T116-R118 VanDerWaalsContact C-N 3.31Å; T116-R118 PolarHBondContact O-N 3.48Å
117F75.6Confident80.2Confident0 Ų061.5 Ų61.50%028%0.282CS..Hα-helixtrans-81.8-6.9178.6-64.8-107000113.3F48 K55 Y59 L62 W108 V113 L119F48-F117 HydrophobicContact CD1-CB 4.45Å; F48-F117 AromaticContact CD1-CD1 3.85Å; F48-F117 HydrophobicContact CD1-CD1 3.85Å; F48-F117 HydrophobicContact CD1-CE1 4.21Å; F48-F117 HydrophobicContact CD1-CG 4.06Å; F48-F117 AromaticContact CD2-CD1 3.59Å; F48-F117 HydrophobicContact CD2-CD1 3.59Å; F48-F117 AromaticContact CD2-CE1 3.28Å; F48-F117 HydrophobicContact CD2-CE1 3.28Å; F48-F117 HydrophobicContact CD2-CZ 4.04Å; F48-F117 HydrophobicContact CE1-CB 3.97Å; F48-F117 AromaticContact CE1-CD1 3.6Å; F48-F117 HydrophobicContact CE1-CD1 3.6Å; F48-F117 HydrophobicContact CE1-CE1 4.31Å; F48-F117 AromaticContact CE1-CG 3.92Å; F48-F117 HydrophobicContact CE1-CG 3.92Å; F48-F117 AromaticContact CE2-CD1 3.34Å; F48-F117 HydrophobicContact CE2-CD1 3.34Å; F48-F117 AromaticContact CE2-CE1 3.43Å; F48-F117 HydrophobicContact CE2-CE1 3.43Å; F48-F117 VanDerWaalsContact CE2-CE1 3.43Å; F48-F117 HydrophobicContact CE2-CG 4.42Å; F48-F117 AromaticContact CG-CD1 3.86Å; F48-F117 HydrophobicContact CG-CD1 3.86Å; F48-F117 AromaticContact CG-CE1 3.74Å; F48-F117 HydrophobicContact CG-CE1 3.74Å; F48-F117 HydrophobicContact CG-CG 4.39Å; F48-F117 HydrophobicContact CG-CZ 4.17Å; F48-F117 HydrophobicContact CZ-CB 4.34Å; F48-F117 AromaticContact CZ-CD1 3.38Å; F48-F117 HydrophobicContact CZ-CD1 3.38Å; F48-F117 AromaticContact CZ-CE1 3.98Å; F48-F117 HydrophobicContact CZ-CE1 3.98Å; F48-F117 HydrophobicContact CZ-CG 4.15Å; K55-F117 WeakPolarHBondContact CE-O 3.27Å; K55-F117 HydrophobicContact CG-CD1 4.47Å; K55-F117 PolarHBondContact NZ-O 3.13Å; Y59-F117 HydrophobicContact CD2-CD1 4.32Å; Y59-F117 HydrophobicContact CD2-CE1 4.01Å; Y59-F117 HydrophobicContact CD2-CZ 4.16Å; L62-F117 HydrophobicContact CD1-CZ 4.08Å; W108-F117 AromaticContact CZ2-CE2 3.79Å; W108-F117 HydrophobicContact CZ2-CE2 3.79Å; W108-F117 HydrophobicContact CZ2-CZ 4.08Å; V113-F117 VanDerWaalsContact O-CB 3.24Å; V113-F117 WeakPolarHBondContact O-CB 3.33Å; V113-F117 PolarHBondContact O-N 3.38Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 HydrophobicContact CB-CD2 4.4Å; F117-L119 HydrophobicContact CB-CG 4.09Å; F117-L119 PolarHBondContact O-N 2.96Å
118R78.4Confident79.5Confident171 Ų17160.9 Ų60.965%0.64528%0.277SS*.THydrogen-bonded Turntrans46.855.2-177.4-60.6-172.6179.7172.9-4.7111.6P50 K55 F114 R115 T116P50-R118 HydrophobicContact CB-CG 4.39Å; P50-R118 HydrophobicContact CG-CG 4.49Å; K55-R118 PolarHBondContact NZ-O 3.4Å; F114-R118 WeakPolarHBondContact O-CA 3.42Å; F114-R118 PolarHBondContact O-N 3.33Å; R115-R118 PolarHBondContact O-N 3.06Å; T116-R118 VanDerWaalsContact C-N 3.31Å; T116-R118 PolarHBondContact O-N 3.48Å
119L76.2Confident78.9Confident10 Ų1067.3 Ų67.35%0.05231%0.307CS..  trans-75.5145.7177.2-65171.8000109.6V113 F114 F117 D123 Y124V113-L119 HydrophobicContact CG1-CD1 3.65Å; F114-L119 HydrophobicContact CD2-CB 4.4Å; F114-L119 WeakPolarHBondContact CE2-O 3.3Å; F114-L119 PolarHBondContact O-N 2.93Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 HydrophobicContact CB-CD2 4.4Å; F117-L119 HydrophobicContact CB-CG 4.09Å; F117-L119 PolarHBondContact O-N 2.96Å; L119-D123 HydrophobicContact CB-CB 4.38Å; L119-D123 HydrophobicContact CD2-CB 4.42Å; L119-Y124 HydrophobicContact CD1-CD2 4.13Å
120S78.4Confident78.7Confident54 Ų5468.2 Ų68.238%0.37831%0.312SS..  trans-64.8160.1166.974.10000109.8E122 D123 Y124S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 PolarHBondContact O-N 3.47Å; S120-D123 PolarHBondContact O-N 3.47Å; S120-D123 VanDerWaalsContact OG-CB 3.29Å; S120-D123 WeakPolarHBondContact OG-CB 3.33Å; S120-D123 PolarHBondContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 3.02Å; S120-Y124 WeakPolarHBondContact O-CB 3.23Å; S120-Y124 PolarHBondContact O-N 3.37Å
121K78.1Confident79Confident136 Ų13667 Ų6759%0.59131%0.306SS*.Hα-helixtrans-57.2-44.7176.2-70.5-170.6176.5-172.80111.1Y124 L125 P185K121-Y124 PolarHBondContact O-N 3.44Å; K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.23Å; K121-L125 PolarHBondContact O-N 2.88Å; K121-P185 HydrophobicContact CB-CB 4.24Å; K121-P185 HydrophobicContact CB-CG 4.45Å; K121-P185 HydrophobicContact CD-CB 4.46Å; K121-P185 HydrophobicContact CG-CB 4.06Å; K121-P185 HydrophobicContact CG-CG 4.17Å
122E78.3Confident79.3Confident142 Ų14265 Ų6566%0.66430%0.295SS*.Hα-helixtrans-64.2-42.7178.3-67.4-178.8-175.600112.5S120 Y124 L125 R126S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 PolarHBondContact O-N 3.47Å; E122-Y124 VanDerWaalsContact C-N 3.33Å; E122-Y124 PolarHBondContact O-N 3.22Å; E122-L125 PolarHBondContact O-N 2.9Å; E122-R126 WeakPolarHBondContact O-CB 3.49Å; E122-R126 PolarHBondContact O-N 2.9Å
123D78.5Confident79.7Confident59 Ų5966.9 Ų66.932%0.31630%0.299SS..Hα-helixtrans-65.4-37.9177.5-70-42.5000111.7L119 S120 R127L119-D123 HydrophobicContact CB-CB 4.38Å; L119-D123 HydrophobicContact CD2-CB 4.42Å; S120-D123 PolarHBondContact O-N 3.47Å; S120-D123 VanDerWaalsContact OG-CB 3.29Å; S120-D123 WeakPolarHBondContact OG-CB 3.33Å; S120-D123 PolarHBondContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 3.02Å; D123-R127 WeakPolarHBondContact O-CB 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.35Å; D123-R127 PolarHBondContact O-N 3.4Å; D123-R127 VanDerWaalsContact O-N 3.08Å
124Y79.1Confident80.4Confident6 Ų667 Ų672%0.02430%0.299CS..Hα-helixtrans-68.4-43.5177-174.5-94.6000111.7V113 F114 L119 S120 K121 E122 R127 Q128 P185 F186V113-Y124 HydrophobicContact CG1-CE2 4.45Å; F114-Y124 HydrophobicContact CB-CD2 3.76Å; F114-Y124 HydrophobicContact CB-CE2 3.67Å; F114-Y124 HydrophobicContact CD2-CD1 4.43Å; F114-Y124 AromaticContact CD2-CD2 3.68Å; F114-Y124 HydrophobicContact CD2-CD2 3.68Å; F114-Y124 HydrophobicContact CD2-CE2 4.38Å; F114-Y124 AromaticContact CD2-CG 3.7Å; F114-Y124 HydrophobicContact CD2-CG 3.7Å; F114-Y124 HydrophobicContact CE2-CG 4.42Å; F114-Y124 HydrophobicContact CG-CD2 4.15Å; F114-Y124 HydrophobicContact CG-CE2 4.41Å; F114-Y124 HydrophobicContact CG-CG 4.46Å; L119-Y124 HydrophobicContact CD1-CD2 4.13Å; S120-Y124 WeakPolarHBondContact O-CB 3.23Å; S120-Y124 PolarHBondContact O-N 3.37Å; K121-Y124 PolarHBondContact O-N 3.44Å; E122-Y124 VanDerWaalsContact C-N 3.33Å; E122-Y124 PolarHBondContact O-N 3.22Å; Y124-R127 CarbonylContact O-C 3.44Å; Y124-R127 PolarHBondContact O-N 2.92Å; Y124-R127 VanDerWaalsContact O-N 3.13Å; Y124-Q128 PolarHBondContact O-N 2.89Å; Y124-P185 HydrophobicContact CD1-CB 4.39Å; Y124-P185 HydrophobicContact CD1-CG 3.67Å; Y124-P185 VanDerWaalsContact CD1-O 3.29Å; Y124-P185 WeakPolarHBondContact CD1-O 3.5Å; Y124-P185 HydrophobicContact CE1-CG 4.37Å; Y124-P185 HydrophobicContact CG-CG 4.1Å; Y124-F186 HydrophobicContact CE1-CB 4.18Å; Y124-F186 HydrophobicContact CE1-CD2 4.36Å
125L77.5Confident81.2Confident82 Ų8265.1 Ų65.143%0.42929%0.291SS..Hα-helixtrans-59.3-48.3174.8-73.2173.4000111.3K121 E122 R127 Q128 P185K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.23Å; K121-L125 PolarHBondContact O-N 2.88Å; E122-L125 PolarHBondContact O-N 2.9Å; L125-R127 PolarHBondContact O-N 3.42Å; L125-Q128 VanDerWaalsContact CD2-NE2 3.35Å; L125-Q128 WeakPolarHBondContact O-CB 3.24Å; L125-Q128 WeakPolarHBondContact O-CG 3.37Å; L125-Q128 PolarHBondContact O-N 3.09Å; L125-Q128 VanDerWaalsContact O-N 3.08Å; L125-P185 VanDerWaalsContact CD2-O 3.25Å; L125-P185 WeakPolarHBondContact CD2-O 3.21Å
126R76.2Confident81.9Confident174 Ų17458.4 Ų58.466%0.65727%0.266SS*.Hα-helixtrans-59.6-30.7176.2-167.3-178-60.91714.4112.2E122 Q128E122-R126 WeakPolarHBondContact O-CB 3.49Å; E122-R126 PolarHBondContact O-N 2.9Å; R126-Q128 VanDerWaalsContact C-N 3.33Å
127R75.3Confident82.7Confident35 Ų3557.7 Ų57.713%0.13226%0.26CS..THydrogen-bonded Turntrans-853.1179.2-79.7-176.7-159.1-150.97.2114.6E56 D123 Y124 L125 E129 N130E56-R127 IonicContact OE2-CZ 3.8Å; E56-R127 IonicContact OE2-NE 2.59Å; E56-R127 IonicContact OE2-NH1 3.18Å; E56-R127 IonicContact OE2-NH2 2.78Å; E56-R127 PolarHBondContact OE2-NH2 2.92Å; D123-R127 WeakPolarHBondContact O-CB 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.35Å; D123-R127 PolarHBondContact O-N 3.4Å; D123-R127 VanDerWaalsContact O-N 3.08Å; Y124-R127 CarbonylContact O-C 3.44Å; Y124-R127 PolarHBondContact O-N 2.92Å; Y124-R127 VanDerWaalsContact O-N 3.13Å; L125-R127 PolarHBondContact O-N 3.42Å; R127-E129 PolarHBondContact O-N 2.98Å; R127-N130 VanDerWaalsContact CB-ND2 3.27Å; R127-N130 WeakPolarHBondContact CB-ND2 3.33Å; R127-N130 WeakPolarHBondContact O-CB 3.49Å; R127-N130 PolarHBondContact O-N 3.19Å; R127-N130 PolarHBondContact O-ND2 2.97Å
128Q76Confident83.4Confident21 Ų2160.5 Ų60.510%0.09828%0.275CS..THydrogen-bonded Turntrans-61.5-24.6172.7-72.1175.7-10.200112.1Y124 L125 R126 N130 Y131 V190Y124-Q128 PolarHBondContact O-N 2.89Å; L125-Q128 VanDerWaalsContact CD2-NE2 3.35Å; L125-Q128 WeakPolarHBondContact O-CB 3.24Å; L125-Q128 WeakPolarHBondContact O-CG 3.37Å; L125-Q128 PolarHBondContact O-N 3.09Å; L125-Q128 VanDerWaalsContact O-N 3.08Å; R126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-N130 PolarHBondContact O-N 3.2Å; Q128-N130 VanDerWaalsContact O-N 3.12Å; Q128-Y131 WeakPolarHBondContact O-CB 3.3Å; Q128-Y131 PolarHBondContact O-N 2.85Å; Q128-V190 HydrophobicContact CB-CG1 4.43Å
129E77.8Confident83.9Confident143 Ų14361.2 Ų61.267%0.66828%0.278SS*.Hα-helixtrans-56.3-24.4170.2-65179.6179.200113.1R127 Y131 H132 R133R127-E129 PolarHBondContact O-N 2.98Å; E129-Y131 PolarHBondContact O-N 3.41Å; E129-H132 WeakPolarHBondContact O-CA 3.49Å; E129-H132 WeakPolarHBondContact O-CB 3.46Å; E129-H132 PolarHBondContact O-N 2.89Å; E129-R133 PolarHBondContact O-N 3.46Å
130N82.8Confident84.3Confident23 Ų2365 Ų6512%0.12330%0.295CS..Hα-helixtrans-65.1-28.6177.6-57.7-21.6000112.4Y59 E63 R127 Q128 H132 R133 L134Y59-N130 WeakPolarHBondContact CE1-ND2 3.31Å; Y59-N130 PolarHBondContact OH-ND2 3.5Å; E63-N130 WeakPolarHBondContact OE1-CB 3.19Å; E63-N130 PolarHBondContact OE1-ND2 2.88Å; E63-N130 PolarHBondContact OE1-OD1 3.25Å; E63-N130 VanDerWaalsContact OE1-OD1 3.13Å; R127-N130 VanDerWaalsContact CB-ND2 3.27Å; R127-N130 WeakPolarHBondContact CB-ND2 3.33Å; R127-N130 WeakPolarHBondContact O-CB 3.49Å; R127-N130 PolarHBondContact O-N 3.19Å; R127-N130 PolarHBondContact O-ND2 2.97Å; Q128-N130 PolarHBondContact O-N 3.2Å; Q128-N130 VanDerWaalsContact O-N 3.12Å; N130-H132 VanDerWaalsContact C-N 3.33Å; N130-R133 PolarHBondContact O-N 2.75Å; N130-L134 VanDerWaalsContact O-CB 3.27Å; N130-L134 WeakPolarHBondContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CG 3.31Å; N130-L134 PolarHBondContact O-N 2.89Å
131Y90.2Very high84.6Confident4 Ų468.3 Ų68.32%0.01631%0.305CS..Hα-helixtrans-60.9-46.6170.8-76.5-95.1000109.9L109 Q128 E129 R133 L135 L175 F186 L194L109-Y131 HydrophobicContact CB-CE1 3.85Å; L109-Y131 HydrophobicContact CB-CE2 4.25Å; L109-Y131 HydrophobicContact CD1-CD1 3.65Å; L109-Y131 HydrophobicContact CD1-CD2 4.27Å; L109-Y131 HydrophobicContact CD1-CE1 3.72Å; L109-Y131 HydrophobicContact CD1-CE2 4.32Å; L109-Y131 HydrophobicContact CD1-CG 3.95Å; L109-Y131 HydrophobicContact CG-CE1 4.44Å; Q128-Y131 WeakPolarHBondContact O-CB 3.3Å; Q128-Y131 PolarHBondContact O-N 2.85Å; E129-Y131 PolarHBondContact O-N 3.41Å; Y131-R133 PolarHBondContact O-N 2.8Å; Y131-L135 HydrophobicContact CD1-CD1 4.46Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 VanDerWaalsContact O-CG 3.25Å; Y131-L135 WeakPolarHBondContact O-CG 3.42Å; Y131-L135 PolarHBondContact O-N 3.46Å; Y131-L175 HydrophobicContact CD1-CD2 3.7Å; Y131-L175 HydrophobicContact CE1-CD2 3.88Å; Y131-F186 HydrophobicContact CD2-CE2 4.29Å; Y131-F186 HydrophobicContact CE2-CD2 4.29Å; Y131-F186 AromaticContact CE2-CE2 3.82Å; Y131-F186 HydrophobicContact CE2-CE2 3.82Å; Y131-F186 AromaticContact CZ-CE2 3.93Å; Y131-L194 HydrophobicContact CD1-CD1 4.12Å; Y131-L194 HydrophobicContact CG-CD1 3.97Å
132H91.1Very high84.9Confident41 Ų4163.8 Ų63.819%0.1929%0.29CS..Hα-helixtrans-60.2-46177.4-66.581.4000111.2E129 N130 F136 L137 D138 Y143 Q197E129-H132 WeakPolarHBondContact O-CA 3.49Å; E129-H132 WeakPolarHBondContact O-CB 3.46Å; E129-H132 PolarHBondContact O-N 2.89Å; N130-H132 VanDerWaalsContact C-N 3.33Å; H132-F136 PolarHBondContact O-N 3.38Å; H132-L137 HydrophobicContact CB-CB 4.28Å; H132-L137 WeakPolarHBondContact O-CA 3.38Å; H132-L137 PolarHBondContact O-N 3.24Å; H132-D138 PolarHBondContact O-N 3.38Å; H132-Y143 PolarHBondContact O-OH 3.3Å; H132-Q197 PolarHBondContact CD2-OE1 3.01Å; H132-Q197 PolarHBondContact NE2-NE2 3.48Å
133R90.1Very high85.3Confident60 Ų6058.2 Ų58.223%0.22626%0.263CS..Hα-helixtrans-63.2-52.6179.7-166.6175.7-173.8-142-4.2112.2E63 D64 E129 N130 Y131 L135 F136 C142 Y143E63-R133 IonicContact OE2-CZ 2.8Å; E63-R133 IonicContact OE2-NH1 3.32Å; E63-R133 PolarHBondContact OE2-NH1 3.32Å; D64-R133 IonicContact OD1-CZ 3.58Å; D64-R133 IonicContact OD1-NH1 2.92Å; D64-R133 PolarHBondContact OD1-NH1 2.89Å; D64-R133 IonicContact OD1-NH2 3.96Å; D64-R133 PolarHBondContact OD1-NH2 3.28Å; E129-R133 PolarHBondContact O-N 3.46Å; N130-R133 PolarHBondContact O-N 2.75Å; Y131-R133 PolarHBondContact O-N 2.8Å; R133-L135 PolarHBondContact O-N 3.25Å; R133-F136 PolarHBondContact O-N 2.91Å; R133-F136 VanDerWaalsContact O-N 3.16Å; R133-C142 PolarHBondContact NH2-O 3.16Å; R133-Y143 WeakPolarHBondContact CA-OH 3.2Å; R133-Y143 HydrophobicContact CG-CE1 4.39Å; R133-Y143 VanDerWaalsContact O-CE1 3.24Å; R133-Y143 WeakPolarHBondContact O-CE1 3.5Å; R133-Y143 PolarHBondContact O-OH 3.04Å
134L92.5Very high85.3Confident5 Ų558.5 Ų58.53%0.02626%0.264CS..Hα-helixtrans-74.7-24.2-174.8-70.3173.6000114.1E63 I66 I105 L109 N130 F136E63-L134 HydrophobicContact CB-CD2 3.95Å; E63-L134 HydrophobicContact CG-CD1 4.27Å; E63-L134 HydrophobicContact CG-CD2 4.12Å; E63-L134 HydrophobicContact CG-CG 4.37Å; I66-L134 HydrophobicContact CB-CD2 4.26Å; I66-L134 HydrophobicContact CD1-CD2 4.44Å; I66-L134 HydrophobicContact CG2-CD2 4.11Å; I105-L134 HydrophobicContact CG2-CB 3.88Å; I105-L134 HydrophobicContact CG2-CD1 3.89Å; I105-L134 HydrophobicContact CG2-CG 4.38Å; L109-L134 HydrophobicContact CD1-CD1 4.02Å; L109-L134 HydrophobicContact CD2-CD1 3.9Å; L109-L134 HydrophobicContact CG-CD1 4.26Å; N130-L134 VanDerWaalsContact O-CB 3.27Å; N130-L134 WeakPolarHBondContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CG 3.31Å; N130-L134 PolarHBondContact O-N 2.89Å; L134-F136 VanDerWaalsContact C-N 3.27Å; L134-F136 WeakPolarHBondContact O-CD2 3.41Å; L134-F136 WeakPolarHBondContact O-CE2 3.35Å
135L95Very high84.9Confident0 Ų058.8 Ų58.80%027%0.268CS..THydrogen-bonded Turntrans-85.52.9171.4-67.8170.7000112.9L102 V106 Y131 R133 L137 L175 L194 L198 R201L102-L135 HydrophobicContact CB-CD2 4.43Å; L102-L135 HydrophobicContact CD2-CD2 4.43Å; V106-L135 HydrophobicContact CG2-CD1 4.31Å; V106-L135 HydrophobicContact CG2-CD2 3.7Å; V106-L135 HydrophobicContact CG2-CG 4.34Å; Y131-L135 HydrophobicContact CD1-CD1 4.46Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 VanDerWaalsContact O-CG 3.25Å; Y131-L135 WeakPolarHBondContact O-CG 3.42Å; Y131-L135 PolarHBondContact O-N 3.46Å; R133-L135 PolarHBondContact O-N 3.25Å; L135-L137 HydrophobicContact CB-CD1 4.14Å; L135-L137 HydrophobicContact CB-CG 4.23Å; L135-L175 HydrophobicContact CD1-CD1 4.16Å; L135-L175 HydrophobicContact CD1-CD2 4.2Å; L135-L194 HydrophobicContact CD1-CD2 4.39Å; L135-L198 HydrophobicContact CB-CD2 4.48Å; L135-L198 HydrophobicContact CD1-CD1 4.31Å; L135-R201 PolarHBondContact O-NH1 3.32Å
136F94.9Very high84.6Confident13 Ų1365.5 Ų65.56%0.05729%0.294CS..THydrogen-bonded Turntrans63.644.6180-58-96.6000113.6V70 F71 L102 H132 R133 L134 Y143 L159 V162 R201V70-F136 HydrophobicContact CB-CE2 4.01Å; V70-F136 HydrophobicContact CB-CZ 3.67Å; V70-F136 HydrophobicContact CG1-CE2 3.83Å; V70-F136 HydrophobicContact CG1-CZ 3.73Å; V70-F136 HydrophobicContact CG2-CE2 3.96Å; V70-F136 HydrophobicContact CG2-CZ 4.01Å; F71-F136 HydrophobicContact CD1-CE1 4.15Å; F71-F136 AromaticContact CE1-CD1 3.94Å; F71-F136 HydrophobicContact CE1-CD1 3.94Å; F71-F136 AromaticContact CE1-CE1 3.46Å; F71-F136 HydrophobicContact CE1-CE1 3.46Å; F71-F136 VanDerWaalsContact CE1-CE1 3.46Å; F71-F136 HydrophobicContact CE1-CZ 4.39Å; F71-F136 HydrophobicContact CE2-CE1 4.41Å; F71-F136 HydrophobicContact CZ-CD1 4.07Å; F71-F136 AromaticContact CZ-CE1 3.61Å; F71-F136 HydrophobicContact CZ-CE1 3.61Å; L102-F136 HydrophobicContact CD2-CD2 3.98Å; L102-F136 HydrophobicContact CD2-CE2 4.01Å; H132-F136 PolarHBondContact O-N 3.38Å; R133-F136 PolarHBondContact O-N 2.91Å; R133-F136 VanDerWaalsContact O-N 3.16Å; L134-F136 VanDerWaalsContact C-N 3.27Å; L134-F136 WeakPolarHBondContact O-CD2 3.41Å; L134-F136 WeakPolarHBondContact O-CE2 3.35Å; F136-Y143 VanDerWaalsContact CA-OH 3.23Å; F136-Y143 WeakPolarHBondContact CA-OH 3.49Å; F136-Y143 AromaticContact CD1-CD1 3.94Å; F136-Y143 HydrophobicContact CD1-CD1 3.94Å; F136-Y143 AromaticContact CD1-CE1 3.62Å; F136-Y143 HydrophobicContact CD1-CE1 3.62Å; F136-Y143 HydrophobicContact CE1-CD1 4.04Å; F136-Y143 AromaticContact CE1-CE1 4Å; F136-Y143 HydrophobicContact CE1-CE1 4Å; F136-Y143 HydrophobicContact CG-CE1 4.3Å; F136-L159 HydrophobicContact CD1-CD2 3.94Å; F136-V162 HydrophobicContact CB-CG1 3.9Å; F136-V162 HydrophobicContact CD1-CG1 4.43Å; F136-V162 HydrophobicContact CD2-CG1 3.81Å; F136-V162 HydrophobicContact CE2-CG1 4.46Å; F136-V162 HydrophobicContact CG-CG1 3.8Å; F136-R201 PolarHBondContact O-NH1 3.11Å
137L93.8Very high84.6Confident33 Ų3359.1 Ų59.117%0.17327%0.273CS..  trans-114-8.9177.5-61.2173.6000113.2H132 L135 Y143 L194 Q197 L198H132-L137 HydrophobicContact CB-CB 4.28Å; H132-L137 WeakPolarHBondContact O-CA 3.38Å; H132-L137 PolarHBondContact O-N 3.24Å; L135-L137 HydrophobicContact CB-CD1 4.14Å; L135-L137 HydrophobicContact CB-CG 4.23Å; L137-Y143 PolarHBondContact N-OH 3.1Å; L137-L194 HydrophobicContact CD1-CD2 3.66Å; L137-Q197 HydrophobicContact CD1-CB 4.01Å; L137-Q197 HydrophobicContact CD2-CB 4.01Å; L137-L198 HydrophobicContact CD1-CD2 4.24Å; L137-L198 HydrophobicContact CD1-CG 4.19Å; L137-L198 HydrophobicContact CD2-CD2 4.15Å; L137-L198 HydrophobicContact CG-CD2 4.4Å
138D90.6Very high84.8Confident58 Ų5859.5 Ų59.531%0.3129%0.288SS..SBendtrans-77.4173.2177.4-160.2-2.1000111.3H132 C142 Y143H132-D138 PolarHBondContact O-N 3.38Å; D138-C142 HydrophobicContact CB-CB 4.4Å; D138-C142 VanDerWaalsContact CG-SG 3.58Å; D138-C142 PolarHBondContact OD2-SG 3.26Å; D138-Y143 HydrophobicContact CB-CE2 4.25Å; D138-Y143 WeakPolarHBondContact CB-OH 3.36Å; D138-Y143 PolarHBondContact N-OH 2.89Å
139R88.7Confident85.3Confident186 Ų18659.5 Ų59.570%0.70229%0.287SS*.  trans-60.3146.3178.1-68-178.6-96.7-174.1-9.9111.5E141 C142 Y143R139-E141 WeakPolarHBondContact CB-OE2 3.28Å; R139-E141 PolarHBondContact O-N 3Å; R139-E141 VanDerWaalsContact O-N 3.1Å; R139-C142 VanDerWaalsContact O-CB 3.31Å; R139-C142 WeakPolarHBondContact O-CB 3.3Å; R139-C142 PolarHBondContact O-N 3.45Å; R139-Y143 WeakPolarHBondContact O-CD2 3.49Å; R139-Y143 WeakPolarHBondContact O-CE2 3.21Å
140Q85.8Confident85.7Confident89 Ų8952.8 Ų52.842%0.41626%0.256SS..G310 helixtrans-60.1-29.6-172.1-61.2-172.3-10.800112.7C142 Y143 K155 N156 L159Q140-C142 PolarHBondContact O-N 2.89Å; Q140-Y143 PolarHBondContact O-N 3.39Å; Q140-K155 HydrophobicContact CB-CD 4.4Å; Q140-N156 PolarHBondContact OE1-OD1 3.43Å; Q140-L159 HydrophobicContact CB-CD1 4.04Å; Q140-L159 HydrophobicContact CG-CD1 3.84Å
141E84.4Confident85.7Confident124 Ų12454.3 Ų54.358%0.57927%0.266SS*.G310 helixtrans-64.7-25.2179-58.972.4-152.400112.6R139 Y143 I144R139-E141 WeakPolarHBondContact CB-OE2 3.28Å; R139-E141 PolarHBondContact O-N 3Å; R139-E141 VanDerWaalsContact O-N 3.1Å; E141-Y143 PolarHBondContact O-N 2.91Å; E141-I144 PolarHBondContact O-N 3.23Å
142C84.8Confident85.2Confident42 Ų4259.2 Ų59.228%0.28429%0.289SS..G310 helixtrans-71.3-10.4-179.3-63.60000113.8R133 D138 R139 Q140R133-C142 PolarHBondContact NH2-O 3.16Å; D138-C142 HydrophobicContact CB-CB 4.4Å; D138-C142 VanDerWaalsContact CG-SG 3.58Å; D138-C142 PolarHBondContact OD2-SG 3.26Å; R139-C142 VanDerWaalsContact O-CB 3.31Å; R139-C142 WeakPolarHBondContact O-CB 3.3Å; R139-C142 PolarHBondContact O-N 3.45Å; Q140-C142 PolarHBondContact O-N 2.89Å
143Y85.8Confident84.6Confident24 Ų2461 Ų619%0.09431%0.306CS..G310 helixtrans-103.72.1-176.8-59.7-74.2000114F71 H132 R133 F136 L137 D138 R139 Q140 E141 P150 L159F71-Y143 HydrophobicContact CZ-CD1 4.38Å; F71-Y143 HydrophobicContact CZ-CG 4.38Å; H132-Y143 PolarHBondContact O-OH 3.3Å; R133-Y143 WeakPolarHBondContact CA-OH 3.2Å; R133-Y143 HydrophobicContact CG-CE1 4.39Å; R133-Y143 VanDerWaalsContact O-CE1 3.24Å; R133-Y143 WeakPolarHBondContact O-CE1 3.5Å; R133-Y143 PolarHBondContact O-OH 3.04Å; F136-Y143 VanDerWaalsContact CA-OH 3.23Å; F136-Y143 WeakPolarHBondContact CA-OH 3.49Å; F136-Y143 AromaticContact CD1-CD1 3.94Å; F136-Y143 HydrophobicContact CD1-CD1 3.94Å; F136-Y143 AromaticContact CD1-CE1 3.62Å; F136-Y143 HydrophobicContact CD1-CE1 3.62Å; F136-Y143 HydrophobicContact CE1-CD1 4.04Å; F136-Y143 AromaticContact CE1-CE1 4Å; F136-Y143 HydrophobicContact CE1-CE1 4Å; F136-Y143 HydrophobicContact CG-CE1 4.3Å; L137-Y143 PolarHBondContact N-OH 3.1Å; D138-Y143 HydrophobicContact CB-CE2 4.25Å; D138-Y143 WeakPolarHBondContact CB-OH 3.36Å; D138-Y143 PolarHBondContact N-OH 2.89Å; R139-Y143 WeakPolarHBondContact O-CD2 3.49Å; R139-Y143 WeakPolarHBondContact O-CE2 3.21Å; Q140-Y143 PolarHBondContact O-N 3.39Å; E141-Y143 PolarHBondContact O-N 2.91Å; Y143-P150 WeakPolarHBondContact O-CD 3.5Å; Y143-L159 HydrophobicContact CD2-CD1 4.4Å; Y143-L159 HydrophobicContact CD2-CD2 3.96Å; Y143-L159 HydrophobicContact CE2-CD2 4.32Å; Y143-L159 HydrophobicContact CG-CD2 4.18Å
144I78.3Confident84.4Confident66 Ų6660.3 Ų60.334%0.33831%0.306SS..  trans-92.8121.2176-57.9174.6000109.4E141 E152 K155E141-I144 PolarHBondContact O-N 3.23Å; I144-E152 VanDerWaalsContact CD1-OE2 3.23Å; I144-E152 WeakPolarHBondContact CD1-OE2 3.3Å; I144-K155 HydrophobicContact CD1-CD 3.93Å; I144-K155 HydrophobicContact CG1-CD 3.73Å
145G70.8Confident84.1Confident11 Ų1160.1 Ų60.111%0.11331%0.305CS..  trans-71.4156174.500000112.7D147 G148 W149G145-D147 PolarHBondContact O-N 3.32Å; G145-G148 PolarHBondContact O-N 3.38Å; G145-W149 PolarHBondContact N-O 3.14Å; G145-W149 VanDerWaalsContact N-O 3.13Å
146K71.2Confident83.7Confident224 Ų22464 Ų6497%0.97433%0.325SS*.THydrogen-bonded Turntrans-58-17.9171.3-68.6-171.6178.4-176.20113.8G148K146-G148 VanDerWaalsContact C-N 3.29Å
147D77.1Confident83.4Confident39 Ų3966.7 Ų66.721%0.20934%0.337CS..THydrogen-bonded Turntrans-84.40.517461.5-39.4000113.7R13 R20 G145 W149R13-D147 HydrophobicContact CG-CB 4.22Å; R20-D147 IonicContact CZ-OD2 3.79Å; R20-D147 IonicContact NH1-OD2 3.71Å; R20-D147 PolarHBondContact NH1-OD2 3.02Å; R20-D147 IonicContact NH2-OD2 3.71Å; R20-D147 PolarHBondContact NH2-OD2 3.17Å; G145-D147 PolarHBondContact O-N 3.32Å; D147-W149 VanDerWaalsContact C-N 3.34Å
148G80.1Confident83.2Confident44 Ų4465.7 Ų65.745%0.45433%0.332SS..  trans79.810175.700000114.9G145 K146 P150G145-G148 PolarHBondContact O-N 3.38Å; K146-G148 VanDerWaalsContact C-N 3.29Å; G148-P150 CarbonylContact O-C 3.46Å
149W84.5Confident83.3Confident21 Ų2164 Ų648%0.0832%0.323CS..  trans-111.7141.2175.8-169.383.9000111.1R24 I68 F71 L72 G145 D147 E154 L158R24-W149 VanDerWaalsContact NH2-CZ2 3.34Å; I68-W149 HydrophobicContact CB-CZ3 4.42Å; I68-W149 HydrophobicContact CG1-CZ3 4.1Å; I68-W149 HydrophobicContact CG2-CZ3 3.95Å; F71-W149 HydrophobicContact CB-CH2 3.78Å; F71-W149 HydrophobicContact CB-CZ3 4.28Å; F71-W149 HydrophobicContact CD2-CZ3 4.44Å; L72-W149 HydrophobicContact CD2-CH2 4.31Å; L72-W149 HydrophobicContact CG-CH2 4.36Å; G145-W149 PolarHBondContact N-O 3.14Å; G145-W149 VanDerWaalsContact N-O 3.13Å; D147-W149 VanDerWaalsContact C-N 3.34Å; W149-E154 PolarHBondContact NE1-OE2 2.88Å; W149-E154 VanDerWaalsContact NE1-OE2 3.17Å; W149-L158 HydrophobicContact CZ2-CD1 4.41Å
150P86.4Confident83.4Confident1 Ų161.8 Ų61.81%0.00631%0.314CS..SBendcis-63.5150.9-5.828-34.2000112.6F71 Y143 G148 E154 K155 L158F71-P150 HydrophobicContact CD2-CG 4.11Å; F71-P150 HydrophobicContact CE2-CG 3.98Å; Y143-P150 WeakPolarHBondContact O-CD 3.5Å; G148-P150 CarbonylContact O-C 3.46Å; P150-E154 HydrophobicContact CB-CB 4.21Å; P150-K155 HydrophobicContact CG-CB 4.26Å; P150-K155 HydrophobicContact CG-CG 4.48Å; P150-L158 HydrophobicContact CB-CD1 3.56Å; P150-L158 HydrophobicContact CG-CD1 4.06Å
151T84.1Confident83.7Confident56 Ų5657.6 Ų57.634%0.34430%0.295SS..  trans-63.4153.9174.462.90000109.6S153 E154 K155T151-S153 PolarHBondContact O-N 3.47Å; T151-S153 VanDerWaalsContact O-N 3.09Å; T151-S153 PolarHBondContact OG1-OG 2.86Å; T151-S153 VanDerWaalsContact OG1-OG 3.14Å; T151-E154 PolarHBondContact N-OE2 3.06Å; T151-E154 VanDerWaalsContact N-OE2 3.15Å; T151-E154 PolarHBondContact O-N 3.47Å; T151-E154 WeakPolarHBondContact OG1-CB 3.5Å; T151-E154 VanDerWaalsContact OG1-CD 3.31Å; T151-E154 WeakPolarHBondContact OG1-CG 3.33Å; T151-E154 PolarHBondContact OG1-N 2.94Å; T151-E154 PolarHBondContact OG1-OE2 3.42Å; T151-K155 PolarHBondContact O-N 3.03Å
152E79.2Confident84.2Confident107 Ų10751.7 Ų51.750%0.527%0.267SS..Hα-helixtrans-54.1-36.1-179-165.861.9-163.400112.4I144 K155I144-E152 VanDerWaalsContact CD1-OE2 3.23Å; I144-E152 WeakPolarHBondContact CD1-OE2 3.3Å; E152-K155 WeakPolarHBondContact OE1-CE 3.35Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 PolarHBondContact OE1-NZ 2.87Å; E152-K155 WeakPolarHBondContact OE2-CE 3.26Å; E152-K155 IonicContact OE2-NZ 3.27Å; E152-K155 PolarHBondContact OE2-NZ 3.2Å
153S78.8Confident84.7Confident78 Ų7850 Ų5055%0.54526%0.256SS..Hα-helixtrans-68.1-34.7175.167.30000114.5R78 T151R78-S153 PolarHBondContact NH2-OG 2.82Å; T151-S153 PolarHBondContact O-N 3.47Å; T151-S153 VanDerWaalsContact O-N 3.09Å; T151-S153 PolarHBondContact OG1-OG 2.86Å; T151-S153 VanDerWaalsContact OG1-OG 3.14Å
154E84.8Confident85.1Confident46 Ų4649 Ų4922%0.21525%0.252CS..Hα-helixtrans-80.8-34.4179.2-71.4169.9145.700111.6W149 P150 T151 N156 F157 L158W149-E154 PolarHBondContact NE1-OE2 2.88Å; W149-E154 VanDerWaalsContact NE1-OE2 3.17Å; P150-E154 HydrophobicContact CB-CB 4.21Å; T151-E154 PolarHBondContact N-OE2 3.06Å; T151-E154 VanDerWaalsContact N-OE2 3.15Å; T151-E154 PolarHBondContact O-N 3.47Å; T151-E154 WeakPolarHBondContact OG1-CB 3.5Å; T151-E154 VanDerWaalsContact OG1-CD 3.31Å; T151-E154 WeakPolarHBondContact OG1-CG 3.33Å; T151-E154 PolarHBondContact OG1-N 2.94Å; T151-E154 PolarHBondContact OG1-OE2 3.42Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 3.13Å; E154-F157 WeakPolarHBondContact O-CB 3.35Å; E154-F157 PolarHBondContact O-N 3.09Å; E154-F157 VanDerWaalsContact O-N 3.1Å; E154-L158 HydrophobicContact CB-CD1 4.29Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 2.93Å
155K87.6Confident85.9Confident1 Ų145.8 Ų45.80%0.00424%0.236CC..Hα-helixtrans-52.6-49.4-175.2-175.8-175.472.3-174.90112.3Q140 I144 P150 T151 E152 F157 L158 L159Q140-K155 HydrophobicContact CB-CD 4.4Å; I144-K155 HydrophobicContact CD1-CD 3.93Å; I144-K155 HydrophobicContact CG1-CD 3.73Å; P150-K155 HydrophobicContact CG-CB 4.26Å; P150-K155 HydrophobicContact CG-CG 4.48Å; T151-K155 PolarHBondContact O-N 3.03Å; E152-K155 WeakPolarHBondContact OE1-CE 3.35Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 PolarHBondContact OE1-NZ 2.87Å; E152-K155 WeakPolarHBondContact OE2-CE 3.26Å; E152-K155 IonicContact OE2-NZ 3.27Å; E152-K155 PolarHBondContact OE2-NZ 3.2Å; K155-F157 VanDerWaalsContact C-N 3.31Å; K155-F157 PolarHBondContact O-N 3.4Å; K155-L158 PolarHBondContact O-N 3.05Å; K155-L159 HydrophobicContact CD-CD1 4.46Å; K155-L159 HydrophobicContact CG-CD1 3.84Å; K155-L159 HydrophobicContact CG-CG 4.4Å; K155-L159 WeakPolarHBondContact O-CB 3.38Å; K155-L159 WeakPolarHBondContact O-CG 3.33Å; K155-L159 PolarHBondContact O-N 3.26Å
156N86.7Confident87Confident80 Ų8045.3 Ų45.343%0.42823%0.231SC..Hα-helixtrans-61.7-40.6-179.3-72-21000112Q140 E154 R160Q140-N156 PolarHBondContact OE1-OD1 3.43Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 3.13Å; N156-R160 WeakPolarHBondContact O-CB 3.36Å; N156-R160 PolarHBondContact O-N 3.08Å
157F87.3Confident88.2Confident70 Ų7034.8 Ų34.831%0.30719%0.186SC..Hα-helixtrans-66.3-44.4176.5171.5-100.8000112.1I74 W91 E154 K155 T161I74-F157 HydrophobicContact CG2-CE1 3.76Å; I74-F157 HydrophobicContact CG2-CZ 4.38Å; W91-F157 HydrophobicContact CH2-CZ 4.15Å; E154-F157 WeakPolarHBondContact O-CB 3.35Å; E154-F157 PolarHBondContact O-N 3.09Å; E154-F157 VanDerWaalsContact O-N 3.1Å; K155-F157 VanDerWaalsContact C-N 3.31Å; K155-F157 PolarHBondContact O-N 3.4Å; F157-T161 WeakPolarHBondContact O-CB 3.38Å; F157-T161 PolarHBondContact O-N 3.37Å; F157-T161 PolarHBondContact O-OG1 2.65Å
158L91.3Very high89.2Confident12 Ų1234.7 Ų34.76%0.06319%0.185CC..Hα-helixtrans-64.6-50179.8-67.2169.2000111.5F71 I74 W149 P150 E154 K155 R160 T161 V162F71-L158 HydrophobicContact CB-CD1 4.08Å; F71-L158 HydrophobicContact CB-CD2 4.34Å; F71-L158 HydrophobicContact CD1-CB 3.74Å; F71-L158 HydrophobicContact CD1-CD1 4.37Å; F71-L158 HydrophobicContact CD1-CG 4.47Å; F71-L158 HydrophobicContact CD2-CD1 4.24Å; F71-L158 HydrophobicContact CE1-CB 3.91Å; F71-L158 HydrophobicContact CG-CB 4.23Å; F71-L158 HydrophobicContact CG-CD1 4Å; I74-L158 HydrophobicContact CB-CD2 3.8Å; I74-L158 HydrophobicContact CD1-CB 4.3Å; I74-L158 HydrophobicContact CD1-CD2 3.7Å; I74-L158 HydrophobicContact CG1-CD2 4.34Å; I74-L158 HydrophobicContact CG2-CD2 3.91Å; W149-L158 HydrophobicContact CZ2-CD1 4.41Å; P150-L158 HydrophobicContact CB-CD1 3.56Å; P150-L158 HydrophobicContact CG-CD1 4.06Å; E154-L158 HydrophobicContact CB-CD1 4.29Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 2.93Å; K155-L158 PolarHBondContact O-N 3.05Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.45Å; L158-T161 PolarHBondContact O-N 2.88Å; L158-T161 VanDerWaalsContact O-N 3.16Å; L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 2.86Å
159L92.5Very high90Very high24 Ų2434.2 Ų34.213%0.12617%0.171CC..Hα-helixtrans-61.6-42.1178-72.5175.1000111.7F71 F136 Q140 Y143 K155 T161 V162 A163F71-L159 HydrophobicContact CE1-CD2 4.01Å; F71-L159 HydrophobicContact CE1-CG 4.49Å; F71-L159 HydrophobicContact CZ-CD2 3.75Å; F71-L159 HydrophobicContact CZ-CG 4.24Å; F136-L159 HydrophobicContact CD1-CD2 3.94Å; Q140-L159 HydrophobicContact CB-CD1 4.04Å; Q140-L159 HydrophobicContact CG-CD1 3.84Å; Y143-L159 HydrophobicContact CD2-CD1 4.4Å; Y143-L159 HydrophobicContact CD2-CD2 3.96Å; Y143-L159 HydrophobicContact CE2-CD2 4.32Å; Y143-L159 HydrophobicContact CG-CD2 4.18Å; K155-L159 HydrophobicContact CD-CD1 4.46Å; K155-L159 HydrophobicContact CG-CD1 3.84Å; K155-L159 HydrophobicContact CG-CG 4.4Å; K155-L159 WeakPolarHBondContact O-CB 3.38Å; K155-L159 WeakPolarHBondContact O-CG 3.33Å; K155-L159 PolarHBondContact O-N 3.26Å; L159-T161 VanDerWaalsContact C-N 3.33Å; L159-T161 PolarHBondContact O-N 3.23Å; L159-V162 PolarHBondContact O-N 2.71Å; L159-A163 WeakPolarHBondContact O-CB 3.26Å; L159-A163 PolarHBondContact O-N 2.69Å
160R90.9Very high90.5Very high139 Ų13940 Ų4053%0.52520%0.196SC..Hα-helixtrans-60-43173.9178.6176.3173.91646.4111.7N156 L158 V162 A163 E164N156-R160 WeakPolarHBondContact O-CB 3.36Å; N156-R160 PolarHBondContact O-N 3.08Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.45Å; R160-V162 VanDerWaalsContact C-N 3.34Å; R160-V162 PolarHBondContact O-N 3.17Å; R160-A163 WeakPolarHBondContact O-CB 3.43Å; R160-A163 PolarHBondContact O-N 3.18Å; R160-E164 HydrophobicContact CG-CG 4.27Å; R160-E164 WeakPolarHBondContact CG-OE1 3.13Å; R160-E164 IonicContact CZ-OE1 3.04Å; R160-E164 IonicContact NE-OE1 3.94Å; R160-E164 PolarHBondContact NE-OE1 2.9Å; R160-E164 IonicContact NH2-OE1 2.89Å; R160-E164 WeakPolarHBondContact O-CB 3.45Å; R160-E164 WeakPolarHBondContact O-CG 3.43Å; R160-E164 PolarHBondContact O-N 3.1Å
161T91.2Very high91Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-66.3-37.3179.3-55.40000111.7I74 W91 F157 L158 L159 E164 S165I74-T161 HydrophobicContact CD1-CG2 3.94Å; I74-T161 HydrophobicContact CG1-CG2 3.99Å; I74-T161 HydrophobicContact CG2-CG2 4.06Å; W91-T161 HydrophobicContact CE3-CG2 4.45Å; W91-T161 HydrophobicContact CZ3-CG2 3.97Å; F157-T161 WeakPolarHBondContact O-CB 3.38Å; F157-T161 PolarHBondContact O-N 3.37Å; F157-T161 PolarHBondContact O-OG1 2.65Å; L158-T161 PolarHBondContact O-N 2.88Å; L158-T161 VanDerWaalsContact O-N 3.16Å; L159-T161 VanDerWaalsContact C-N 3.33Å; L159-T161 PolarHBondContact O-N 3.23Å; T161-E164 PolarHBondContact O-N 3.35Å; T161-S165 PolarHBondContact O-N 3.17Å; T161-S165 VanDerWaalsContact O-N 3.11Å; T161-S165 PolarHBondContact O-OG 3.35Å
162V94.5Very high91.6Very high0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-64.7-44172.41760000110.8V70 F71 I74 I98 F136 L158 L159 R160 E164 S165V70-V162 HydrophobicContact CG1-CG2 3.76Å; F71-V162 HydrophobicContact CD1-CG2 4.32Å; F71-V162 HydrophobicContact CE1-CG2 4.21Å; I74-V162 HydrophobicContact CD1-CG2 4.05Å; I98-V162 HydrophobicContact CG2-CG1 4.37Å; F136-V162 HydrophobicContact CB-CG1 3.9Å; F136-V162 HydrophobicContact CD1-CG1 4.43Å; F136-V162 HydrophobicContact CD2-CG1 3.81Å; F136-V162 HydrophobicContact CE2-CG1 4.46Å; F136-V162 HydrophobicContact CG-CG1 3.8Å; L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 2.86Å; L159-V162 PolarHBondContact O-N 2.71Å; R160-V162 VanDerWaalsContact C-N 3.34Å; R160-V162 PolarHBondContact O-N 3.17Å; V162-E164 PolarHBondContact O-N 2.73Å; V162-S165 WeakPolarHBondContact O-CB 3.37Å; V162-S165 PolarHBondContact O-N 3.23Å
163A94.8Very high92.4Very high7 Ų734.1 Ų34.16%0.05817%0.166CC..Hα-helixtrans-60.1-45175.500000112.1L159 R160 S165 G166 R201 N205L159-A163 WeakPolarHBondContact O-CB 3.26Å; L159-A163 PolarHBondContact O-N 2.69Å; R160-A163 WeakPolarHBondContact O-CB 3.43Å; R160-A163 PolarHBondContact O-N 3.18Å; A163-S165 PolarHBondContact O-N 3.3Å; A163-G166 PolarHBondContact O-N 3.14Å; A163-R201 HydrophobicContact CB-CG 3.65Å; A163-N205 HydrophobicContact CB-CB 3.89Å
164E94.4Very high93.1Very high2 Ų232.8 Ų32.81%0.00915%0.151CC..Hα-helixtrans-62.6-22.9176.3-76167.7168.800113.5R85 R160 T161 V162 G166 N205 F207 N212R85-E164 IonicContact CZ-OE1 3.3Å; R85-E164 IonicContact CZ-OE2 3.09Å; R85-E164 VanDerWaalsContact CZ-OE2 3.26Å; R85-E164 IonicContact NH1-OE1 2.84Å; R85-E164 IonicContact NH1-OE2 3.71Å; R85-E164 PolarHBondContact NH1-OE2 3.05Å; R85-E164 IonicContact NH2-OE1 2.87Å; R85-E164 PolarHBondContact NH2-OE1 3.34Å; R85-E164 IonicContact NH2-OE2 3.35Å; R85-E164 PolarHBondContact NH2-OE2 3.11Å; R160-E164 HydrophobicContact CG-CG 4.27Å; R160-E164 WeakPolarHBondContact CG-OE1 3.13Å; R160-E164 IonicContact CZ-OE1 3.04Å; R160-E164 IonicContact NE-OE1 3.94Å; R160-E164 PolarHBondContact NE-OE1 2.9Å; R160-E164 IonicContact NH2-OE1 2.89Å; R160-E164 WeakPolarHBondContact O-CB 3.45Å; R160-E164 WeakPolarHBondContact O-CG 3.43Å; R160-E164 PolarHBondContact O-N 3.1Å; T161-E164 PolarHBondContact O-N 3.35Å; V162-E164 PolarHBondContact O-N 2.73Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 3.22Å; E164-N205 WeakPolarHBondContact CA-O 3.33Å; E164-N205 HydrophobicContact CG-CB 4.13Å; E164-N205 WeakPolarHBondContact CG-O 3.48Å; E164-F207 HydrophobicContact CB-CB 4.18Å; E164-F207 HydrophobicContact CB-CD2 4.31Å; E164-F207 HydrophobicContact CG-CB 4.47Å; E164-F207 HydrophobicContact CG-CD2 4.49Å; E164-N212 WeakPolarHBondContact O-CB 3.38Å; E164-N212 PolarHBondContact O-ND2 3.2Å
165S94.9Very high93.5Very high0 Ų030.6 Ų30.60%014%0.141CC..THydrogen-bonded Turntrans-74.5-19.9178.7-56.60000113.1H95 I98 R99 T161 V162 A163H95-S165 WeakPolarHBondContact ND1-CA 3.33Å; H95-S165 PolarHBondContact ND1-OG 3.45Å; I98-S165 WeakPolarHBondContact CD1-OG 3.35Å; R99-S165 WeakPolarHBondContact CD-O 3.05Å; R99-S165 WeakPolarHBondContact CG-O 3.32Å; T161-S165 PolarHBondContact O-N 3.17Å; T161-S165 VanDerWaalsContact O-N 3.11Å; T161-S165 PolarHBondContact O-OG 3.35Å; V162-S165 WeakPolarHBondContact O-CB 3.37Å; V162-S165 PolarHBondContact O-N 3.23Å; A163-S165 PolarHBondContact O-N 3.3Å
166G95.2Very high93.7Very high1 Ų131 Ų311%0.0114%0.143CC..  trans60-151-173.300000113.1A163 E164 N212A163-G166 PolarHBondContact O-N 3.14Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 3.22Å; G166-N212 WeakPolarHBondContact CA-O 3.33Å
167V96.7Very high93.8Very high3 Ų328.8 Ų28.82%0.01813%0.133CC..  trans-142.7160.8179.1-68.20000110.7L102 L172 L198 L213L102-V167 HydrophobicContact CD1-CG1 4.1Å; V167-L172 HydrophobicContact CG2-CD2 3.67Å; V167-L172 HydrophobicContact CG2-CG 4.03Å; V167-L198 HydrophobicContact CG1-CD1 4.26Å; V167-L198 HydrophobicContact CG1-CD2 3.85Å; V167-L198 HydrophobicContact CG2-CD1 4.44Å; V167-L213 HydrophobicContact CG2-CD1 3.62Å; V167-L213 WeakPolarHBondContact O-CD1 3.36Å
168L97Very high93.6Very high36 Ų3625.5 Ų25.519%0.18812%0.119CC..  trans-72.4145.8169.2-59178.2000110.4R99 R100 H103 K170 T171 L172R99-L168 HydrophobicContact CB-CD2 3.86Å; R99-L168 HydrophobicContact CB-CG 3.92Å; R100-L168 HydrophobicContact CG-CD1 4.06Å; H103-L168 HydrophobicContact CB-CD1 4.03Å; L168-K170 PolarHBondContact O-N 3.12Å; L168-T171 WeakPolarHBondContact O-CA 3.44Å; L168-T171 WeakPolarHBondContact O-CB 3.5Å; L168-T171 PolarHBondContact O-N 3.23Å; L168-T171 PolarHBondContact O-OG1 3.2Å; L168-L172 PolarHBondContact O-N 3.42Å
169E96.9Very high93.1Very high35 Ų3525.8 Ų25.816%0.16412%0.12CC..Hα-helixtrans-48.2-45.6168175.6173.8-157.600112.3T171 L172 L173 V215 T216 V219E169-T171 PolarHBondContact O-N 3.47Å; E169-T171 VanDerWaalsContact O-N 3.13Å; E169-L172 WeakPolarHBondContact O-CB 3.47Å; E169-L172 PolarHBondContact O-N 3.04Å; E169-L173 HydrophobicContact CG-CD1 4Å; E169-L173 HydrophobicContact CG-CG 4.24Å; E169-L173 WeakPolarHBondContact O-CG 3.42Å; E169-L173 PolarHBondContact O-N 3.42Å; E169-V215 HydrophobicContact CB-CG1 4.04Å; E169-V215 HydrophobicContact CG-CB 4.41Å; E169-V215 HydrophobicContact CG-CG1 4.25Å; E169-T216 WeakPolarHBondContact OE1-CA 3.2Å; E169-T216 WeakPolarHBondContact OE1-CB 3.34Å; E169-T216 PolarHBondContact OE1-N 3.06Å; E169-T216 PolarHBondContact OE1-OG1 2.9Å; E169-T216 WeakPolarHBondContact OE2-CG2 3.43Å; E169-T216 PolarHBondContact OE2-N 3.36Å; E169-V219 HydrophobicContact CG-CG2 3.58Å; E169-V219 WeakPolarHBondContact OE1-CG2 3.35Å
170K96.1Very high92.3Very high141 Ų14130 Ų3061%0.61314%0.14SC*.Hα-helixtrans-54.8-34.3177.2-65.2-174.5177.9-1770112.3L168 L173 E174L168-K170 PolarHBondContact O-N 3.12Å; K170-L173 PolarHBondContact O-N 2.92Å; K170-E174 WeakPolarHBondContact O-CB 3.33Å; K170-E174 VanDerWaalsContact O-CG 3.24Å; K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.45Å
171T96.7Very high91.6Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-65.6-44.4176.7-43.20000111.1H103 V106 L168 E169 E174 L175H103-T171 WeakPolarHBondContact CB-OG1 3.4Å; V106-T171 HydrophobicContact CB-CG2 4.22Å; V106-T171 HydrophobicContact CG2-CG2 3.74Å; L168-T171 WeakPolarHBondContact O-CA 3.44Å; L168-T171 WeakPolarHBondContact O-CB 3.5Å; L168-T171 PolarHBondContact O-N 3.23Å; L168-T171 PolarHBondContact O-OG1 3.2Å; E169-T171 PolarHBondContact O-N 3.47Å; E169-T171 VanDerWaalsContact O-N 3.13Å; T171-E174 PolarHBondContact O-N 2.88Å; T171-L175 WeakPolarHBondContact O-CG 3.22Å; T171-L175 PolarHBondContact O-N 2.98Å; T171-L175 VanDerWaalsContact O-N 3.07Å
172L96.7Very high90.8Very high2 Ų233.1 Ų33.11%0.0117%0.166CC..Hα-helixtrans-61.9-45.6176.1-57.5-178.9000110.9V167 L168 E169 E174 L175 V176 V195 L198 L213 V215V167-L172 HydrophobicContact CG2-CD2 3.67Å; V167-L172 HydrophobicContact CG2-CG 4.03Å; L168-L172 PolarHBondContact O-N 3.42Å; E169-L172 WeakPolarHBondContact O-CB 3.47Å; E169-L172 PolarHBondContact O-N 3.04Å; L172-E174 VanDerWaalsContact C-N 3.35Å; L172-E174 PolarHBondContact O-N 3.35Å; L172-L175 PolarHBondContact O-N 3.29Å; L172-V176 WeakPolarHBondContact O-CG2 3.19Å; L172-V176 PolarHBondContact O-N 3.47Å; L172-V195 HydrophobicContact CB-CG2 4.31Å; L172-V195 HydrophobicContact CD2-CB 4.48Å; L172-V195 HydrophobicContact CD2-CG1 4.21Å; L172-V195 HydrophobicContact CD2-CG2 4.03Å; L172-L198 HydrophobicContact CD2-CB 4.31Å; L172-L198 HydrophobicContact CD2-CD1 4.07Å; L172-L213 HydrophobicContact CD1-CD1 4.17Å; L172-V215 HydrophobicContact CD1-CG1 3.96Å
173L95.7Very high90Very high39 Ų3936.2 Ų36.220%0.20418%0.182CC..Hα-helixtrans-61.1-42.3177.4-66177000111.8E169 K170 L175 V176 T177 V219 A222E169-L173 HydrophobicContact CG-CD1 4Å; E169-L173 HydrophobicContact CG-CG 4.24Å; E169-L173 WeakPolarHBondContact O-CG 3.42Å; E169-L173 PolarHBondContact O-N 3.42Å; K170-L173 PolarHBondContact O-N 2.92Å; L173-L175 PolarHBondContact O-N 2.95Å; L173-V176 WeakPolarHBondContact O-CG2 3.34Å; L173-V176 PolarHBondContact O-N 3.32Å; L173-T177 WeakPolarHBondContact O-CB 3.31Å; L173-T177 VanDerWaalsContact O-CG2 3.22Å; L173-T177 WeakPolarHBondContact O-CG2 3.44Å; L173-T177 PolarHBondContact O-N 3.41Å; L173-T177 VanDerWaalsContact O-N 3.12Å; L173-T177 PolarHBondContact O-OG1 3.39Å; L173-V219 HydrophobicContact CD2-CG2 4.03Å; L173-V219 HydrophobicContact CG-CG2 4.35Å; L173-A222 HydrophobicContact CD2-CB 3.48Å; L173-A222 VanDerWaalsContact CD2-CB 3.48Å
174E93.2Very high89.2Confident51 Ų5136.3 Ų36.324%0.23818%0.182CC..Hα-helixtrans-62-43.1176.3-74.7-59.5155.600111.9V106 V107 K110 K170 T171 L172 V176 T177 V178V106-E174 HydrophobicContact CG1-CB 3.85Å; V107-E174 HydrophobicContact CG2-CG 4.31Å; K110-E174 VanDerWaalsContact CD-OE2 3.26Å; K110-E174 WeakPolarHBondContact CD-OE2 3.31Å; K110-E174 WeakPolarHBondContact CE-OE2 3.26Å; K110-E174 IonicContact NZ-OE2 3.86Å; K110-E174 PolarHBondContact NZ-OE2 2.72Å; K170-E174 WeakPolarHBondContact O-CB 3.33Å; K170-E174 VanDerWaalsContact O-CG 3.24Å; K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.45Å; T171-E174 PolarHBondContact O-N 2.88Å; L172-E174 VanDerWaalsContact C-N 3.35Å; L172-E174 PolarHBondContact O-N 3.35Å; E174-V176 VanDerWaalsContact C-N 3.35Å; E174-V176 PolarHBondContact O-N 3.06Å; E174-T177 CarbonylContact O-C 3.6Å; E174-T177 PolarHBondContact O-N 2.86Å; E174-T177 PolarHBondContact O-OG1 3.35Å; E174-V178 WeakPolarHBondContact O-CG2 3.23Å; E174-V178 PolarHBondContact O-N 2.92Å
175L93.5Very high88.4Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-62.1-38.6-180-72.2171.1000113.2V106 Y131 L135 T171 L172 L173 V178 L194 V195 L198V106-L175 HydrophobicContact CG1-CD2 3.92Å; V106-L175 HydrophobicContact CG1-CG 4.17Å; V106-L175 HydrophobicContact CG2-CD2 4.22Å; Y131-L175 HydrophobicContact CD1-CD2 3.7Å; Y131-L175 HydrophobicContact CE1-CD2 3.88Å; L135-L175 HydrophobicContact CD1-CD1 4.16Å; L135-L175 HydrophobicContact CD1-CD2 4.2Å; T171-L175 WeakPolarHBondContact O-CG 3.22Å; T171-L175 PolarHBondContact O-N 2.98Å; T171-L175 VanDerWaalsContact O-N 3.07Å; L172-L175 PolarHBondContact O-N 3.29Å; L173-L175 PolarHBondContact O-N 2.95Å; L175-V178 WeakPolarHBondContact O-CG2 3.4Å; L175-L194 HydrophobicContact CD1-CB 4.29Å; L175-L194 HydrophobicContact CD2-CD1 4.07Å; L175-V195 HydrophobicContact CB-CG2 4.11Å; L175-V195 HydrophobicContact CD1-CG2 4.25Å; L175-L198 HydrophobicContact CD1-CD1 3.58Å
176V92.1Very high87.8Confident8 Ų837.7 Ų37.75%0.04819%0.19CC..Hα-helixtrans-85.8-9.9179.8-58.70000113.3L172 L173 E174 F188 V195 A222 L223 A226L172-V176 WeakPolarHBondContact O-CG2 3.19Å; L172-V176 PolarHBondContact O-N 3.47Å; L173-V176 WeakPolarHBondContact O-CG2 3.34Å; L173-V176 PolarHBondContact O-N 3.32Å; E174-V176 VanDerWaalsContact C-N 3.35Å; E174-V176 PolarHBondContact O-N 3.06Å; V176-F188 WeakPolarHBondContact O-CE1 3.47Å; V176-V195 HydrophobicContact CG1-CG2 3.7Å; V176-A222 HydrophobicContact CG2-CB 3.95Å; V176-L223 HydrophobicContact CG1-CD1 3.97Å; V176-A226 HydrophobicContact CB-CB 3.79Å; V176-A226 HydrophobicContact CG1-CB 4.3Å
177T88.9Confident87.3Confident34 Ų3441.5 Ų41.521%0.20921%0.21CC..Hα-helixtrans-111.85.8179.261.80000113.8L173 E174 N179 Q180L173-T177 WeakPolarHBondContact O-CB 3.31Å; L173-T177 VanDerWaalsContact O-CG2 3.22Å; L173-T177 WeakPolarHBondContact O-CG2 3.44Å; L173-T177 PolarHBondContact O-N 3.41Å; L173-T177 VanDerWaalsContact O-N 3.12Å; L173-T177 PolarHBondContact O-OG1 3.39Å; E174-T177 CarbonylContact O-C 3.6Å; E174-T177 PolarHBondContact O-N 2.86Å; E174-T177 PolarHBondContact O-OG1 3.35Å; T177-N179 VanDerWaalsContact C-N 3.26Å; T177-N179 PolarHBondContact O-N 3.13Å; T177-N179 VanDerWaalsContact O-N 3.11Å; T177-Q180 WeakPolarHBondContact O-CB 3.4Å; T177-Q180 PolarHBondContact O-N 3.15Å
178V82.5Confident86.7Confident2 Ų242.3 Ų42.31%0.01221%0.214CC..THydrogen-bonded Turntrans-47.5-46.9-174.8175.20000112.5K110 E174 L175 L184 F186K110-V178 HydrophobicContact CG-CG1 4.18Å; E174-V178 WeakPolarHBondContact O-CG2 3.23Å; E174-V178 PolarHBondContact O-N 2.92Å; L175-V178 WeakPolarHBondContact O-CG2 3.4Å; V178-L184 HydrophobicContact CG1-CD1 4.23Å; V178-L184 WeakPolarHBondContact O-CD1 3.34Å; V178-F186 HydrophobicContact CB-CB 4.37Å; V178-F186 HydrophobicContact CB-CD1 3.62Å; V178-F186 HydrophobicContact CB-CD2 4.33Å; V178-F186 HydrophobicContact CB-CE1 3.87Å; V178-F186 HydrophobicContact CB-CG 3.86Å; V178-F186 HydrophobicContact CB-CZ 4.35Å; V178-F186 HydrophobicContact CG1-CB 3.67Å; V178-F186 HydrophobicContact CG1-CD1 3.81Å; V178-F186 HydrophobicContact CG1-CD2 3.77Å; V178-F186 HydrophobicContact CG1-CE1 4.36Å; V178-F186 HydrophobicContact CG1-CE2 4.34Å; V178-F186 HydrophobicContact CG1-CG 3.47Å; V178-F186 VanDerWaalsContact CG1-CG 3.47Å; V178-F186 HydrophobicContact CG2-CD1 4.24Å; V178-F186 HydrophobicContact CG2-CE1 4Å; V178-F186 HydrophobicContact CG2-CE2 4.38Å; V178-F186 HydrophobicContact CG2-CZ 4.08Å
179N80.8Confident86.4Confident17 Ų1741.5 Ų41.59%0.09121%0.212CC..THydrogen-bonded Turntrans-109.632.5-177.1-17728.2000113.1T177 F181 G182 D183 L184 F186 F188 R230T177-N179 VanDerWaalsContact C-N 3.26Å; T177-N179 PolarHBondContact O-N 3.13Å; T177-N179 VanDerWaalsContact O-N 3.11Å; N179-F181 PolarHBondContact O-N 3.07Å; N179-F181 VanDerWaalsContact O-N 3.09Å; N179-G182 PolarHBondContact O-N 3.26Å; N179-G182 VanDerWaalsContact O-N 3.13Å; N179-G182 WeakPolarHBondContact OD1-CA 3.28Å; N179-G182 PolarHBondContact OD1-N 2.95Å; N179-D183 PolarHBondContact OD1-N 3.45Å; N179-L184 HydrophobicContact CB-CB 4.31Å; N179-L184 PolarHBondContact ND2-O 3.43Å; N179-L184 PolarHBondContact OD1-N 3.11Å; N179-L184 PolarHBondContact OD1-O 3.08Å; N179-F186 HydrophobicContact CB-CB 4.01Å; N179-F186 PolarHBondContact ND2-O 3.31Å; N179-F188 VanDerWaalsContact C-CZ 3.4Å; N179-F188 HydrophobicContact CB-CE1 4.48Å; N179-F188 HydrophobicContact CB-CE2 3.67Å; N179-F188 HydrophobicContact CB-CZ 3.53Å; N179-F188 VanDerWaalsContact O-CZ 3.26Å; N179-F188 WeakPolarHBondContact O-CZ 3.15Å; N179-R230 PolarHBondContact O-NH1 2.98Å
180Q76.6Confident86Confident114 Ų11440.6 Ų40.653%0.53321%0.209SC..THydrogen-bonded Turntrans-54.9-32.3-174.3-176.6175.6-0.700112.7T177T177-Q180 WeakPolarHBondContact O-CB 3.4Å; T177-Q180 PolarHBondContact O-N 3.15Å
181F75.7Confident85.8Confident174 Ų17433.9 Ų33.976%0.76318%0.18SC*.THydrogen-bonded Turntrans-97.40.4-177.9-57.3-73.6000114.9N179 D183N179-F181 PolarHBondContact O-N 3.07Å; N179-F181 VanDerWaalsContact O-N 3.09Å; F181-D183 VanDerWaalsContact C-N 3.26Å; F181-D183 PolarHBondContact O-N 3.28Å
182G74.4Confident85.8Confident30 Ų3033.9 Ų33.931%0.30918%0.18SC..SBendtrans769.2-178.700000114.5N179N179-G182 PolarHBondContact O-N 3.26Å; N179-G182 VanDerWaalsContact O-N 3.13Å; N179-G182 WeakPolarHBondContact OD1-CA 3.28Å; N179-G182 PolarHBondContact OD1-N 2.95Å
183D76.9Confident85.7Confident65 Ų6537.4 Ų37.435%0.34820%0.196SC..  trans-91.1-7.6-173.664.6-45000113.9R115 N179 F181R115-D183 IonicContact CZ-OD2 2.93Å; R115-D183 IonicContact NH2-OD2 3.41Å; R115-D183 PolarHBondContact NH2-OD2 3.44Å; N179-D183 PolarHBondContact OD1-N 3.45Å; F181-D183 VanDerWaalsContact C-N 3.26Å; F181-D183 PolarHBondContact O-N 3.28Å
184L78.8Confident85.7Confident9 Ų935.5 Ų35.55%0.04719%0.186CC..SBendtrans-121.6135.8-177.4-76.6157.2000110.2K110 F114 V178 N179 F186K110-L184 HydrophobicContact CG-CD1 4.3Å; F114-L184 HydrophobicContact CB-CD2 3.61Å; F114-L184 HydrophobicContact CD1-CD2 3.67Å; F114-L184 HydrophobicContact CG-CD2 3.88Å; V178-L184 HydrophobicContact CG1-CD1 4.23Å; V178-L184 WeakPolarHBondContact O-CD1 3.34Å; N179-L184 HydrophobicContact CB-CB 4.31Å; N179-L184 PolarHBondContact ND2-O 3.43Å; N179-L184 PolarHBondContact OD1-N 3.11Å; N179-L184 PolarHBondContact OD1-O 3.08Å; L184-F186 PolarHBondContact O-N 2.89Å
185P77Confident85.9Confident25 Ų2533.1 Ų33.116%0.16218%0.175CC..  trans-76.256.6173.131-31.5000111.1F114 K121 Y124 L125F114-P185 HydrophobicContact CD2-CG 3.87Å; F114-P185 HydrophobicContact CE1-CG 4.33Å; F114-P185 HydrophobicContact CE2-CG 3.4Å; F114-P185 HydrophobicContact CZ-CG 3.65Å; K121-P185 HydrophobicContact CB-CB 4.24Å; K121-P185 HydrophobicContact CB-CG 4.45Å; K121-P185 HydrophobicContact CD-CB 4.46Å; K121-P185 HydrophobicContact CG-CB 4.06Å; K121-P185 HydrophobicContact CG-CG 4.17Å; Y124-P185 HydrophobicContact CD1-CB 4.39Å; Y124-P185 HydrophobicContact CD1-CG 3.67Å; Y124-P185 VanDerWaalsContact CD1-O 3.29Å; Y124-P185 WeakPolarHBondContact CD1-O 3.5Å; Y124-P185 HydrophobicContact CE1-CG 4.37Å; Y124-P185 HydrophobicContact CG-CG 4.1Å; L125-P185 VanDerWaalsContact CD2-O 3.25Å; L125-P185 WeakPolarHBondContact CD2-O 3.21Å
186F82.5Confident86.1Confident6 Ų634 Ų343%0.02618%0.179CC..  trans-106.8132.4177.8-174.5-91.1000110.8Y124 Y131 V178 N179 L184 V190Y124-F186 HydrophobicContact CE1-CB 4.18Å; Y124-F186 HydrophobicContact CE1-CD2 4.36Å; Y131-F186 HydrophobicContact CD2-CE2 4.29Å; Y131-F186 HydrophobicContact CE2-CD2 4.29Å; Y131-F186 AromaticContact CE2-CE2 3.82Å; Y131-F186 HydrophobicContact CE2-CE2 3.82Å; Y131-F186 AromaticContact CZ-CE2 3.93Å; V178-F186 HydrophobicContact CB-CB 4.37Å; V178-F186 HydrophobicContact CB-CD1 3.62Å; V178-F186 HydrophobicContact CB-CD2 4.33Å; V178-F186 HydrophobicContact CB-CE1 3.87Å; V178-F186 HydrophobicContact CB-CG 3.86Å; V178-F186 HydrophobicContact CB-CZ 4.35Å; V178-F186 HydrophobicContact CG1-CB 3.67Å; V178-F186 HydrophobicContact CG1-CD1 3.81Å; V178-F186 HydrophobicContact CG1-CD2 3.77Å; V178-F186 HydrophobicContact CG1-CE1 4.36Å; V178-F186 HydrophobicContact CG1-CE2 4.34Å; V178-F186 HydrophobicContact CG1-CG 3.47Å; V178-F186 VanDerWaalsContact CG1-CG 3.47Å; V178-F186 HydrophobicContact CG2-CD1 4.24Å; V178-F186 HydrophobicContact CG2-CE1 4Å; V178-F186 HydrophobicContact CG2-CE2 4.38Å; V178-F186 HydrophobicContact CG2-CZ 4.08Å; N179-F186 HydrophobicContact CB-CB 4.01Å; N179-F186 PolarHBondContact ND2-O 3.31Å; L184-F186 PolarHBondContact O-N 2.89Å; F186-V190 HydrophobicContact CZ-CG1 4.47Å
187N84.2Confident86.3Confident80 Ų8036.5 Ų36.543%0.42819%0.191SC..  trans-86.9120.8179.4-176.3-1.7000110A189 V190 G191N187-A189 PolarHBondContact O-N 3.28Å; N187-A189 WeakPolarHBondContact OD1-CB 3.32Å; N187-A189 PolarHBondContact OD1-N 3.39Å; N187-A189 VanDerWaalsContact OD1-N 3.07Å; N187-V190 HydrophobicContact CB-CG2 4.05Å; N187-V190 WeakPolarHBondContact O-CB 3.4Å; N187-V190 PolarHBondContact O-N 2.94Å; N187-V190 VanDerWaalsContact O-N 3.13Å; N187-G191 PolarHBondContact O-N 2.91Å
188F84.5Confident86.7Confident21 Ų2135 Ų359%0.09218%0.181CC..Hα-helixtrans-60.8-31.9179-75.6-81.4000113.7V176 N179 V190 G191 V192 A226V176-F188 WeakPolarHBondContact O-CE1 3.47Å; N179-F188 VanDerWaalsContact C-CZ 3.4Å; N179-F188 HydrophobicContact CB-CE1 4.48Å; N179-F188 HydrophobicContact CB-CE2 3.67Å; N179-F188 HydrophobicContact CB-CZ 3.53Å; N179-F188 VanDerWaalsContact O-CZ 3.26Å; N179-F188 WeakPolarHBondContact O-CZ 3.15Å; F188-V190 PolarHBondContact O-N 2.97Å; F188-G191 WeakPolarHBondContact O-CA 3.19Å; F188-G191 PolarHBondContact O-N 2.97Å; F188-V192 PolarHBondContact O-N 2.93Å; F188-A226 HydrophobicContact CD1-CB 4.4Å
189A89.7Confident87.4Confident18 Ų1834.9 Ų34.915%0.14918%0.181CC..Hα-helixtrans-55.6-44.7175.500000110.9N187 G191 V192 E193 L251N187-A189 PolarHBondContact O-N 3.28Å; N187-A189 WeakPolarHBondContact OD1-CB 3.32Å; N187-A189 PolarHBondContact OD1-N 3.39Å; N187-A189 VanDerWaalsContact OD1-N 3.07Å; A189-G191 VanDerWaalsContact C-N 3.32Å; A189-G191 PolarHBondContact O-N 3.08Å; A189-V192 PolarHBondContact O-N 2.99Å; A189-E193 WeakPolarHBondContact O-CB 3.26Å; A189-E193 VanDerWaalsContact O-CG 3.27Å; A189-E193 WeakPolarHBondContact O-CG 3.29Å; A189-E193 PolarHBondContact O-N 3.21Å; A189-L251 HydrophobicContact CB-CD1 3.81Å; A189-L251 HydrophobicContact CB-CD2 4.15Å
190V89.4Confident88.1Confident17 Ų1736.3 Ų36.310%0.10319%0.185CC..Hα-helixtrans-63.8-38.2177.1178.70000111.3Q128 F186 N187 F188 E193 L194Q128-V190 HydrophobicContact CB-CG1 4.43Å; F186-V190 HydrophobicContact CZ-CG1 4.47Å; N187-V190 HydrophobicContact CB-CG2 4.05Å; N187-V190 WeakPolarHBondContact O-CB 3.4Å; N187-V190 PolarHBondContact O-N 2.94Å; N187-V190 VanDerWaalsContact O-N 3.13Å; F188-V190 PolarHBondContact O-N 2.97Å; V190-E193 PolarHBondContact O-N 2.99Å; V190-L194 HydrophobicContact CG1-CD1 3.97Å; V190-L194 HydrophobicContact CG1-CG 4.29Å; V190-L194 WeakPolarHBondContact O-CB 3.08Å; V190-L194 WeakPolarHBondContact O-CD1 3.41Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 3.13Å
191G92.6Very high89Confident0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-61.2-44.9174.900000112.8N187 F188 A189 V195N187-G191 PolarHBondContact O-N 2.91Å; F188-G191 WeakPolarHBondContact O-CA 3.19Å; F188-G191 PolarHBondContact O-N 2.97Å; A189-G191 VanDerWaalsContact C-N 3.32Å; A189-G191 PolarHBondContact O-N 3.08Å; G191-V195 WeakPolarHBondContact O-CG2 3.21Å; G191-V195 PolarHBondContact O-N 2.71Å; G191-V195 VanDerWaalsContact O-N 3.15Å
192V95.3Very high90Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-66.3-45176.9176.60000111F188 A189 L194 V195 D196 L223 A226 L251 M254F188-V192 PolarHBondContact O-N 2.93Å; A189-V192 PolarHBondContact O-N 2.99Å; V192-L194 PolarHBondContact O-N 2.86Å; V192-V195 WeakPolarHBondContact O-CB 3.43Å; V192-V195 PolarHBondContact O-N 3.43Å; V192-V195 VanDerWaalsContact O-N 3.13Å; V192-D196 PolarHBondContact O-N 2.89Å; V192-L223 HydrophobicContact CG1-CD1 4.27Å; V192-L223 HydrophobicContact CG2-CD1 4.42Å; V192-A226 HydrophobicContact CG2-CB 3.85Å; V192-L251 HydrophobicContact CB-CD2 4.41Å; V192-L251 HydrophobicContact CG1-CD2 4.34Å; V192-M254 HydrophobicContact CG1-SD 4.36Å
193E95.4Very high90.9Very high75 Ų7523 Ų2335%0.3512%0.116SC..Hα-helixtrans-62.1-39.5177.4-72.6167.6-167.400112.7A189 V190 V195 D196 Q197 M254A189-E193 WeakPolarHBondContact O-CB 3.26Å; A189-E193 VanDerWaalsContact O-CG 3.27Å; A189-E193 WeakPolarHBondContact O-CG 3.29Å; A189-E193 PolarHBondContact O-N 3.21Å; V190-E193 PolarHBondContact O-N 2.99Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-D196 PolarHBondContact O-N 3.41Å; E193-Q197 VanDerWaalsContact O-CG 3.3Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.99Å; E193-M254 HydrophobicContact CG-SD 4.44Å
194L95.6Very high91.8Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-64.4-39.1174.3-74.7168.6000111.5Y131 L135 L137 L175 V190 V192 L198Y131-L194 HydrophobicContact CD1-CD1 4.12Å; Y131-L194 HydrophobicContact CG-CD1 3.97Å; L135-L194 HydrophobicContact CD1-CD2 4.39Å; L137-L194 HydrophobicContact CD1-CD2 3.66Å; L175-L194 HydrophobicContact CD1-CB 4.29Å; L175-L194 HydrophobicContact CD2-CD1 4.07Å; V190-L194 HydrophobicContact CG1-CD1 3.97Å; V190-L194 HydrophobicContact CG1-CG 4.29Å; V190-L194 WeakPolarHBondContact O-CB 3.08Å; V190-L194 WeakPolarHBondContact O-CD1 3.41Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 3.13Å; V192-L194 PolarHBondContact O-N 2.86Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.13Å; L194-L198 PolarHBondContact O-N 3.46Å
195V96.9Very high92.5Very high1 Ų126.3 Ų26.31%0.00613%0.129CC..Hα-helixtrans-64.3-46.8175.2166.80000110.8L172 L175 V176 G191 V192 E193 Q197 L198 I199 L223L172-V195 HydrophobicContact CB-CG2 4.31Å; L172-V195 HydrophobicContact CD2-CB 4.48Å; L172-V195 HydrophobicContact CD2-CG1 4.21Å; L172-V195 HydrophobicContact CD2-CG2 4.03Å; L175-V195 HydrophobicContact CB-CG2 4.11Å; L175-V195 HydrophobicContact CD1-CG2 4.25Å; V176-V195 HydrophobicContact CG1-CG2 3.7Å; G191-V195 WeakPolarHBondContact O-CG2 3.21Å; G191-V195 PolarHBondContact O-N 2.71Å; G191-V195 VanDerWaalsContact O-N 3.15Å; V192-V195 WeakPolarHBondContact O-CB 3.43Å; V192-V195 PolarHBondContact O-N 3.43Å; V192-V195 VanDerWaalsContact O-N 3.13Å; E193-V195 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 2.95Å; V195-L198 PolarHBondContact O-N 2.83Å; V195-I199 HydrophobicContact CG1-CD1 3.52Å; V195-I199 HydrophobicContact CG1-CG1 4.23Å; V195-I199 WeakPolarHBondContact O-CB 3.43Å; V195-I199 VanDerWaalsContact O-CG1 3.28Å; V195-I199 WeakPolarHBondContact O-CG1 3.47Å; V195-I199 PolarHBondContact O-N 3.28Å; V195-L223 HydrophobicContact CB-CD1 4.38Å; V195-L223 HydrophobicContact CG1-CD1 3.95Å; V195-L223 HydrophobicContact CG1-CD2 4.46Å
196D97.6Very high93.2Very high17 Ų1727.5 Ų27.59%0.09114%0.137CC..Hα-helixtrans-53.9-51.5174.8171.496.3000110.9V192 E193 L198 I199 R200 M254 D258V192-D196 PolarHBondContact O-N 2.89Å; E193-D196 PolarHBondContact O-N 3.41Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.93Å; D196-I199 PolarHBondContact O-N 3.49Å; D196-R200 WeakPolarHBondContact O-CB 3.38Å; D196-R200 VanDerWaalsContact O-CG 3.29Å; D196-R200 WeakPolarHBondContact O-CG 3.13Å; D196-R200 PolarHBondContact O-N 2.9Å; D196-R200 IonicContact OD1-CZ 3.84Å; D196-R200 IonicContact OD1-NE 3.79Å; D196-R200 PolarHBondContact OD1-NE 3.27Å; D196-R200 IonicContact OD1-NH2 3.15Å; D196-R200 PolarHBondContact OD1-NH2 3.43Å; D196-R200 WeakPolarHBondContact OD2-CD 3.34Å; D196-R200 IonicContact OD2-CZ 3.45Å; D196-R200 IonicContact OD2-NE 3.69Å; D196-R200 PolarHBondContact OD2-NE 2.94Å; D196-M254 HydrophobicContact CB-CG 4.11Å; D196-M254 HydrophobicContact CB-SD 3.83Å; D196-D258 VanDerWaalsContact CA-OD2 3.23Å; D196-D258 WeakPolarHBondContact CA-OD2 3.37Å; D196-D258 WeakPolarHBondContact CB-OD2 3.45Å
197Q97.3Very high93.6Very high61 Ų6127.6 Ų27.629%0.28514%0.137SC..Hα-helixtrans-62.2-39.2179.9-70.1175.430.100112.7H132 L137 E193 V195 R201H132-Q197 PolarHBondContact CD2-OE1 3.01Å; H132-Q197 PolarHBondContact NE2-NE2 3.48Å; L137-Q197 HydrophobicContact CD1-CB 4.01Å; L137-Q197 HydrophobicContact CD2-CB 4.01Å; E193-Q197 VanDerWaalsContact O-CG 3.3Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.99Å; V195-Q197 PolarHBondContact O-N 2.95Å; Q197-R201 WeakPolarHBondContact O-CB 3.48Å; Q197-R201 PolarHBondContact O-N 3.36Å
198L97.5Very high93.7Very high2 Ų227.9 Ų27.91%0.0114%0.139CC..Hα-helixtrans-67.8-42.8177.3-75.3172.2000112.3L135 L137 V167 L172 L175 L194 V195 D196 R201 A202L135-L198 HydrophobicContact CB-CD2 4.48Å; L135-L198 HydrophobicContact CD1-CD1 4.31Å; L137-L198 HydrophobicContact CD1-CD2 4.24Å; L137-L198 HydrophobicContact CD1-CG 4.19Å; L137-L198 HydrophobicContact CD2-CD2 4.15Å; L137-L198 HydrophobicContact CG-CD2 4.4Å; V167-L198 HydrophobicContact CG1-CD1 4.26Å; V167-L198 HydrophobicContact CG1-CD2 3.85Å; V167-L198 HydrophobicContact CG2-CD1 4.44Å; L172-L198 HydrophobicContact CD2-CB 4.31Å; L172-L198 HydrophobicContact CD2-CD1 4.07Å; L175-L198 HydrophobicContact CD1-CD1 3.58Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.13Å; L194-L198 PolarHBondContact O-N 3.46Å; V195-L198 PolarHBondContact O-N 2.83Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.93Å; L198-R201 PolarHBondContact O-N 2.88Å; L198-A202 WeakPolarHBondContact O-CB 3.13Å; L198-A202 PolarHBondContact O-N 3.28Å
199I96.9Very high93.8Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-61.2-54.2175.9-69.6168.5000108.8V195 D196 R201 A202 Y203 L213 D258 I261 L262V195-I199 HydrophobicContact CG1-CD1 3.52Å; V195-I199 HydrophobicContact CG1-CG1 4.23Å; V195-I199 WeakPolarHBondContact O-CB 3.43Å; V195-I199 VanDerWaalsContact O-CG1 3.28Å; V195-I199 WeakPolarHBondContact O-CG1 3.47Å; V195-I199 PolarHBondContact O-N 3.28Å; D196-I199 PolarHBondContact O-N 3.49Å; I199-R201 VanDerWaalsContact C-N 3.33Å; I199-R201 PolarHBondContact O-N 3.35Å; I199-A202 PolarHBondContact O-N 3.03Å; I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 HydrophobicContact CG2-CE2 4.15Å; I199-Y203 VanDerWaalsContact O-CD2 3.26Å; I199-Y203 WeakPolarHBondContact O-CD2 3.45Å; I199-Y203 PolarHBondContact O-N 3.49Å; I199-L213 HydrophobicContact CB-CD2 4.46Å; I199-L213 HydrophobicContact CG1-CD2 3.98Å; I199-D258 HydrophobicContact CD1-CB 3.71Å; I199-I261 HydrophobicContact CG2-CB 4.26Å; I199-I261 HydrophobicContact CG2-CG2 3.74Å; I199-L262 HydrophobicContact CD1-CD1 3.7Å; I199-L262 HydrophobicContact CD1-CD2 4.25Å; I199-L262 HydrophobicContact CD1-CG 3.94Å; I199-L262 HydrophobicContact CG1-CD1 4.47Å; I199-L262 HydrophobicContact CG1-CD2 4.16Å; I199-L262 HydrophobicContact CG1-CG 4.36Å; I199-L262 HydrophobicContact CG2-CD2 4.36Å; I199-L262 HydrophobicContact CG2-CG 4.36Å
200R96.1Very high93.8Very high47 Ų4734.2 Ų34.218%0.17718%0.183CC..Hα-helixtrans-55.1-49178.2-70.2180-168.9-67.8-14.1111.4D196 A202 Y203 F204D196-R200 WeakPolarHBondContact O-CB 3.38Å; D196-R200 VanDerWaalsContact O-CG 3.29Å; D196-R200 WeakPolarHBondContact O-CG 3.13Å; D196-R200 PolarHBondContact O-N 2.9Å; D196-R200 IonicContact OD1-CZ 3.84Å; D196-R200 IonicContact OD1-NE 3.79Å; D196-R200 PolarHBondContact OD1-NE 3.27Å; D196-R200 IonicContact OD1-NH2 3.15Å; D196-R200 PolarHBondContact OD1-NH2 3.43Å; D196-R200 WeakPolarHBondContact OD2-CD 3.34Å; D196-R200 IonicContact OD2-CZ 3.45Å; D196-R200 IonicContact OD2-NE 3.69Å; D196-R200 PolarHBondContact OD2-NE 2.94Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.66Å; R200-Y203 PolarHBondContact O-N 3.03Å; R200-F204 HydrophobicContact CB-CD2 4.29Å; R200-F204 HydrophobicContact CB-CE2 4.37Å; R200-F204 WeakPolarHBondContact O-CD2 3.48Å; R200-F204 PolarHBondContact O-N 3.3Å
201R95.6Very high93.9Very high29 Ų2934.1 Ų34.111%0.10918%0.182CC..Hα-helixtrans-56.8-46.2179.6-175.1-174.771.9-176.1-0.4112.1L135 F136 A163 Q197 L198 I199 N205L135-R201 PolarHBondContact O-NH1 3.32Å; F136-R201 PolarHBondContact O-NH1 3.11Å; A163-R201 HydrophobicContact CB-CG 3.65Å; Q197-R201 WeakPolarHBondContact O-CB 3.48Å; Q197-R201 PolarHBondContact O-N 3.36Å; L198-R201 PolarHBondContact O-N 2.88Å; I199-R201 VanDerWaalsContact C-N 3.33Å; I199-R201 PolarHBondContact O-N 3.35Å; R201-N205 WeakPolarHBondContact O-CB 3.42Å; R201-N205 PolarHBondContact O-N 3.07Å; R201-N205 PolarHBondContact O-ND2 3.49Å
202A95Very high93.9Very high2 Ų234.4 Ų34.42%0.01718%0.184CC..Hα-helixtrans-63.9-41.5179.500000111.8L198 I199 R200 N205 V211 L213L198-A202 WeakPolarHBondContact O-CB 3.13Å; L198-A202 PolarHBondContact O-N 3.28Å; I199-A202 PolarHBondContact O-N 3.03Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.66Å; A202-N205 CarbonylContact O-C 3.46Å; A202-N205 PolarHBondContact O-N 3.42Å; A202-V211 HydrophobicContact CB-CG1 4.16Å; A202-L213 HydrophobicContact CB-CB 4.31Å; A202-L213 HydrophobicContact CB-CD2 4.25Å
203Y94.4Very high93.9Very high8 Ų834.4 Ų34.43%0.03118%0.184CC..Hα-helixtrans-71.8-33-177.7-89.4-102.6000114.1I199 R200 N205 V211 L213 I261 L262 T265 L379I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 HydrophobicContact CG2-CE2 4.15Å; I199-Y203 VanDerWaalsContact O-CD2 3.26Å; I199-Y203 WeakPolarHBondContact O-CD2 3.45Å; I199-Y203 PolarHBondContact O-N 3.49Å; R200-Y203 PolarHBondContact O-N 3.03Å; Y203-N205 VanDerWaalsContact C-N 3.29Å; Y203-V211 HydrophobicContact CD1-CG2 4.31Å; Y203-V211 HydrophobicContact CD2-CG1 3.8Å; Y203-V211 HydrophobicContact CE2-CG1 3.86Å; Y203-V211 HydrophobicContact CG-CG1 4.22Å; Y203-V211 HydrophobicContact CG-CG2 4.44Å; Y203-L213 HydrophobicContact CE2-CD2 4.22Å; Y203-I261 HydrophobicContact CD1-CG2 3.35Å; Y203-I261 HydrophobicContact CD2-CG2 3.57Å; Y203-I261 HydrophobicContact CE1-CG2 3.32Å; Y203-I261 WeakPolarHBondContact CE1-O 3.28Å; Y203-I261 HydrophobicContact CE2-CG2 3.59Å; Y203-I261 HydrophobicContact CG-CG2 3.44Å; Y203-I261 VanDerWaalsContact CG-CG2 3.44Å; Y203-I261 VanDerWaalsContact CZ-CG2 3.45Å; Y203-I261 VanDerWaalsContact CZ-O 3.3Å; Y203-I261 PolarHBondContact OH-O 3.39Å; Y203-L262 HydrophobicContact CE2-CD2 4.27Å; Y203-L262 WeakPolarHBondContact OH-CA 3.35Å; Y203-L262 PolarHBondContact OH-O 2.97Å; Y203-T265 HydrophobicContact CD1-CG2 4.44Å; Y203-T265 HydrophobicContact CE1-CG2 3.49Å; Y203-T265 VanDerWaalsContact CE1-CG2 3.49Å; Y203-T265 WeakPolarHBondContact OH-CB 3.46Å; Y203-T265 WeakPolarHBondContact OH-CG2 3.43Å; Y203-T265 PolarHBondContact OH-OG1 3.18Å; Y203-L379 HydrophobicContact CD1-CD1 4.25Å
204F94.8Very high93.8Very high97 Ų9736.1 Ų36.143%0.42519%0.192SC..Hα-helixtrans-81.9-6.8174-73.6-68.7000113.5R200 P206 L375 Q378 L379R200-F204 HydrophobicContact CB-CD2 4.29Å; R200-F204 HydrophobicContact CB-CE2 4.37Å; R200-F204 WeakPolarHBondContact O-CD2 3.48Å; R200-F204 PolarHBondContact O-N 3.3Å; F204-P206 VanDerWaalsContact C-CD 3.45Å; F204-L375 HydrophobicContact CZ-CD2 4.3Å; F204-Q378 HydrophobicContact CE1-CB 4.27Å; F204-L379 HydrophobicContact CD1-CD2 3.99Å; F204-L379 HydrophobicContact CE1-CD2 3.74Å; F204-L379 HydrophobicContact CG-CD2 4.5Å; F204-L379 HydrophobicContact CZ-CD2 4.01Å
205N93.7Very high93.8Very high47 Ų4736.3 Ų36.325%0.25119%0.193SC..SBendtrans-129.660.5179.4-63.8-89.5000111.6A163 E164 R201 A202 Y203A163-N205 HydrophobicContact CB-CB 3.89Å; E164-N205 WeakPolarHBondContact CA-O 3.33Å; E164-N205 HydrophobicContact CG-CB 4.13Å; E164-N205 WeakPolarHBondContact CG-O 3.48Å; R201-N205 WeakPolarHBondContact O-CB 3.42Å; R201-N205 PolarHBondContact O-N 3.07Å; R201-N205 PolarHBondContact O-ND2 3.49Å; A202-N205 CarbonylContact O-C 3.46Å; A202-N205 PolarHBondContact O-N 3.42Å; Y203-N205 VanDerWaalsContact C-N 3.29Å
206P92Very high93.8Very high50 Ų5038.8 Ų38.833%0.32521%0.208SC..  trans-66.5139.3175.129.1-34000110.8F204 K210 V211F204-P206 VanDerWaalsContact C-CD 3.45Å; P206-K210 CarbonylContact C-O 3.59Å; P206-K210 WeakPolarHBondContact CA-O 3.32Å; P206-V211 HydrophobicContact CB-CG2 4.15Å
207F91.1Very high93.6Very high8 Ų844.5 Ų44.54%0.03523%0.232CC..BIsolated β-bridgetrans-92.4116.7173-173.8-97.8000109.4R85 A88 W91 H95 E164 G209 K210R85-F207 HydrophobicContact CG-CE2 4.49Å; A88-F207 HydrophobicContact CB-CE1 4.14Å; W91-F207 HydrophobicContact CB-CE1 3.84Å; W91-F207 HydrophobicContact CB-CE2 4.44Å; W91-F207 HydrophobicContact CB-CZ 3.62Å; W91-F207 AromaticContact CD1-CZ 3.69Å; W91-F207 HydrophobicContact CD2-CE2 4.33Å; W91-F207 HydrophobicContact CD2-CZ 4.06Å; W91-F207 HydrophobicContact CG-CE1 4.17Å; W91-F207 HydrophobicContact CG-CE2 4.18Å; W91-F207 AromaticContact CG-CZ 3.47Å; W91-F207 HydrophobicContact CG-CZ 3.47Å; W91-F207 VanDerWaalsContact CG-CZ 3.47Å; H95-F207 AromaticContact CE1-CD2 3.96Å; H95-F207 AromaticContact NE2-CD1 3.7Å; H95-F207 AromaticContact NE2-CD2 3.51Å; H95-F207 AromaticContact NE2-CE1 3.88Å; H95-F207 AromaticContact NE2-CE2 3.71Å; H95-F207 AromaticContact NE2-CG 3.52Å; H95-F207 AromaticContact NE2-CZ 3.9Å; E164-F207 HydrophobicContact CB-CB 4.18Å; E164-F207 HydrophobicContact CB-CD2 4.31Å; E164-F207 HydrophobicContact CG-CB 4.47Å; E164-F207 HydrophobicContact CG-CD2 4.49Å; F207-G209 PolarHBondContact O-N 3.29Å; F207-K210 PolarHBondContact N-O 3.18Å; F207-K210 PolarHBondContact O-N 3.01Å
208N87.4Confident93.4Very high85 Ų8546.3 Ų46.346%0.45524%0.244SC..THydrogen-bonded Turntrans49.839.5-174.3-65.8-14000113.7R85 K210R85-N208 PolarHBondContact O-ND2 3.03Å; R85-N208 PolarHBondContact O-OD1 3.49Å; N208-K210 PolarHBondContact O-N 2.95Å
209G85.6Confident93.3Very high70 Ų7046.4 Ų46.472%0.72224%0.244SC*.THydrogen-bonded Turntrans80.5-8.6-178.500000115.1F207F207-G209 PolarHBondContact O-N 3.29Å
210K89.1Confident93.3Very high103 Ų10346.4 Ų46.445%0.44824%0.244SC..BIsolated β-bridgetrans-94.5129.6174.8-170.7-177.7177.4-170.90110.9P206 F207 N208 E214P206-K210 CarbonylContact C-O 3.59Å; P206-K210 WeakPolarHBondContact CA-O 3.32Å; F207-K210 PolarHBondContact N-O 3.18Å; F207-K210 PolarHBondContact O-N 3.01Å; N208-K210 PolarHBondContact O-N 2.95Å; K210-E214 WeakPolarHBondContact CE-OE1 3.38Å; K210-E214 IonicContact NZ-OE1 3.89Å; K210-E214 PolarHBondContact NZ-OE1 3.24Å
211V92.4Very high93.2Very high14 Ų1445 Ų459%0.08525%0.245CC..  trans-82.5120.4168.3178.30000108.4A202 Y203 P206 L213 T265A202-V211 HydrophobicContact CB-CG1 4.16Å; Y203-V211 HydrophobicContact CD1-CG2 4.31Å; Y203-V211 HydrophobicContact CD2-CG1 3.8Å; Y203-V211 HydrophobicContact CE2-CG1 3.86Å; Y203-V211 HydrophobicContact CG-CG1 4.22Å; Y203-V211 HydrophobicContact CG-CG2 4.44Å; P206-V211 HydrophobicContact CB-CG2 4.15Å; V211-L213 HydrophobicContact CG1-CB 4.01Å; V211-L213 PolarHBondContact O-N 3.35Å; V211-T265 HydrophobicContact CB-CG2 4.02Å; V211-T265 HydrophobicContact CG2-CG2 4.04Å
212N92.8Very high93.2Very high6 Ų644.7 Ų44.73%0.03225%0.248CC..  trans-82.555.4-178.3-72.3-30.4000112.4E164 G166E164-N212 WeakPolarHBondContact O-CB 3.38Å; E164-N212 PolarHBondContact O-ND2 3.2Å; G166-N212 WeakPolarHBondContact CA-O 3.33Å
213L94.9Very high93.2Very high1 Ų144.7 Ų44.71%0.00525%0.248CC..  trans-138.783179.4-169.460.5000111V167 L172 I199 A202 Y203 V211 V215 L262 N266V167-L213 HydrophobicContact CG2-CD1 3.62Å; V167-L213 WeakPolarHBondContact O-CD1 3.36Å; L172-L213 HydrophobicContact CD1-CD1 4.17Å; I199-L213 HydrophobicContact CB-CD2 4.46Å; I199-L213 HydrophobicContact CG1-CD2 3.98Å; A202-L213 HydrophobicContact CB-CB 4.31Å; A202-L213 HydrophobicContact CB-CD2 4.25Å; Y203-L213 HydrophobicContact CE2-CD2 4.22Å; V211-L213 HydrophobicContact CG1-CB 4.01Å; V211-L213 PolarHBondContact O-N 3.35Å; L213-V215 HydrophobicContact CD1-CG1 4.34Å; L213-V215 HydrophobicContact CG-CG1 4.33Å; L213-L262 HydrophobicContact CD2-CD2 3.66Å; L213-L262 HydrophobicContact CG-CD2 4.17Å; L213-N266 PolarHBondContact O-ND2 3Å
214E93.5Very high93.4Very high110 Ų11044.3 Ų44.351%0.51425%0.246SC..  trans-91.3121.2177.4-66.5173.1-169.600109.2K210 N266K210-E214 WeakPolarHBondContact CE-OE1 3.38Å; K210-E214 IonicContact NZ-OE1 3.89Å; K210-E214 PolarHBondContact NZ-OE1 3.24Å; E214-N266 WeakPolarHBondContact CA-OD1 3.34Å
215V96.4Very high93.3Very high5 Ų546 Ų463%0.0325%0.253CS..  trans-136.6150.2-176-66.70000111.2E169 L172 L213 V219 L262 N266 T269 V270E169-V215 HydrophobicContact CB-CG1 4.04Å; E169-V215 HydrophobicContact CG-CB 4.41Å; E169-V215 HydrophobicContact CG-CG1 4.25Å; L172-V215 HydrophobicContact CD1-CG1 3.96Å; L213-V215 HydrophobicContact CD1-CG1 4.34Å; L213-V215 HydrophobicContact CG-CG1 4.33Å; V215-V219 HydrophobicContact CB-CG2 4.02Å; V215-V219 HydrophobicContact CG1-CG2 4.12Å; V215-L262 HydrophobicContact CG2-CD1 4.43Å; V215-L262 HydrophobicContact CG2-CD2 3.91Å; V215-N266 HydrophobicContact CG2-CB 4.18Å; V215-N266 PolarHBondContact N-OD1 2.85Å; V215-N266 PolarHBondContact O-OD1 3.23Å; V215-T269 PolarHBondContact O-OG1 2.96Å; V215-V270 HydrophobicContact CG2-CG2 3.63Å
216T95.2Very high93.3Very high52 Ų5244 Ų4432%0.31924%0.243SC..  trans-96.5180175.376.70000111.6E169 D218 V219 V270E169-T216 WeakPolarHBondContact OE1-CA 3.2Å; E169-T216 WeakPolarHBondContact OE1-CB 3.34Å; E169-T216 PolarHBondContact OE1-N 3.06Å; E169-T216 PolarHBondContact OE1-OG1 2.9Å; E169-T216 WeakPolarHBondContact OE2-CG2 3.43Å; E169-T216 PolarHBondContact OE2-N 3.36Å; T216-D218 PolarHBondContact O-N 2.97Å; T216-D218 VanDerWaalsContact O-N 3.16Å; T216-D218 PolarHBondContact OG1-N 3.48Å; T216-V219 PolarHBondContact O-N 3.42Å; T216-V270 WeakPolarHBondContact O-CG2 3.11Å
217K93.7Very high93.5Very high138 Ų13841.6 Ų41.660%0.623%0.228SC*.THydrogen-bonded Turntrans-62.7-15.4175.767.8-177.7-178.6-176.40113.8V219 V220 A273K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 PolarHBondContact O-N 3.18Å; K217-V220 WeakPolarHBondContact O-CB 3.46Å; K217-V220 WeakPolarHBondContact O-CG2 3.42Å; K217-V220 PolarHBondContact O-N 2.83Å; K217-A273 HydrophobicContact CB-CB 3.92Å
218D93.6Very high93.6Very high99 Ų9943.5 Ų43.553%0.52924%0.238SC..Hα-helixtrans-67.5-32.3-176.6-67.5-14.2000111.8T216 V220 G221 A222T216-D218 PolarHBondContact O-N 2.97Å; T216-D218 VanDerWaalsContact O-N 3.16Å; T216-D218 PolarHBondContact OG1-N 3.48Å; D218-V220 VanDerWaalsContact C-N 3.26Å; D218-V220 PolarHBondContact O-N 3.3Å; D218-G221 PolarHBondContact O-N 3.46Å; D218-A222 WeakPolarHBondContact O-CB 3.28Å; D218-A222 PolarHBondContact O-N 3.29Å; D218-A222 VanDerWaalsContact O-N 3.14Å
219V95.7Very high93.9Very high4 Ų442.1 Ų42.12%0.02423%0.227CC..Hα-helixtrans-59.5-36.3174.2175.40000111.9E169 L173 V215 T216 K217 G221 A222 L223 L262E169-V219 HydrophobicContact CG-CG2 3.58Å; E169-V219 WeakPolarHBondContact OE1-CG2 3.35Å; L173-V219 HydrophobicContact CD2-CG2 4.03Å; L173-V219 HydrophobicContact CG-CG2 4.35Å; V215-V219 HydrophobicContact CB-CG2 4.02Å; V215-V219 HydrophobicContact CG1-CG2 4.12Å; T216-V219 PolarHBondContact O-N 3.42Å; K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 PolarHBondContact O-N 3.18Å; V219-G221 PolarHBondContact O-N 3.25Å; V219-A222 PolarHBondContact O-N 3.44Å; V219-L223 VanDerWaalsContact O-CB 3.23Å; V219-L223 WeakPolarHBondContact O-CB 3.3Å; V219-L223 PolarHBondContact O-N 3.09Å; V219-L262 HydrophobicContact CG1-CD1 4.07Å
220V97Very high93.9Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-57.9-54.1-177.8-173.10000110.7K217 D218 L224 L259 V270 L274 Y278K217-V220 WeakPolarHBondContact O-CB 3.46Å; K217-V220 WeakPolarHBondContact O-CG2 3.42Å; K217-V220 PolarHBondContact O-N 2.83Å; D218-V220 VanDerWaalsContact C-N 3.26Å; D218-V220 PolarHBondContact O-N 3.3Å; V220-L224 HydrophobicContact CG1-CD1 4.07Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.34Å; V220-L224 PolarHBondContact O-N 2.94Å; V220-L259 HydrophobicContact CB-CD2 4.18Å; V220-L259 HydrophobicContact CG1-CD1 4.07Å; V220-L259 HydrophobicContact CG1-CD2 4.17Å; V220-L259 HydrophobicContact CG2-CD2 4.02Å; V220-V270 HydrophobicContact CG2-CB 4.48Å; V220-V270 HydrophobicContact CG2-CG1 3.96Å; V220-V270 HydrophobicContact CG2-CG2 4.32Å; V220-L274 HydrophobicContact CG1-CD2 3.8Å; V220-Y278 HydrophobicContact CB-CE2 4.5Å; V220-Y278 HydrophobicContact CG1-CD1 4.48Å; V220-Y278 HydrophobicContact CG1-CD2 4.16Å; V220-Y278 HydrophobicContact CG1-CE1 4.03Å; V220-Y278 HydrophobicContact CG1-CE2 3.68Å
221G94.2Very high93.6Very high18 Ų1844.7 Ų44.719%0.18621%0.212CC..Hα-helixtrans-68.5-37.7-179.600000112.5D218 V219 K225D218-G221 PolarHBondContact O-N 3.46Å; V219-G221 PolarHBondContact O-N 3.25Å; G221-K225 VanDerWaalsContact O-CB 3.24Å; G221-K225 WeakPolarHBondContact O-CB 3.34Å; G221-K225 WeakPolarHBondContact O-CD 3.49Å; G221-K225 WeakPolarHBondContact O-CG 3.43Å; G221-K225 PolarHBondContact O-N 3.38Å
222A94.8Very high93Very high21 Ų2147.2 Ų47.217%0.17423%0.228CC..Hα-helixtrans-66.9-46-179.600000112.3L173 V176 D218 V219 K225 A226L173-A222 HydrophobicContact CD2-CB 3.48Å; L173-A222 VanDerWaalsContact CD2-CB 3.48Å; V176-A222 HydrophobicContact CG2-CB 3.95Å; D218-A222 WeakPolarHBondContact O-CB 3.28Å; D218-A222 PolarHBondContact O-N 3.29Å; D218-A222 VanDerWaalsContact O-N 3.14Å; V219-A222 PolarHBondContact O-N 3.44Å; A222-K225 PolarHBondContact O-N 3.46Å; A222-A226 PolarHBondContact O-N 3Å
223L96.3Very high92Very high2 Ų254.1 Ų54.11%0.0126%0.26CS..Hα-helixtrans-65.7-45.9-179.4-174.260.3000111.5V176 V192 V195 V219 K225 A226 C227 A255 D258 L259V176-L223 HydrophobicContact CG1-CD1 3.97Å; V192-L223 HydrophobicContact CG1-CD1 4.27Å; V192-L223 HydrophobicContact CG2-CD1 4.42Å; V195-L223 HydrophobicContact CB-CD1 4.38Å; V195-L223 HydrophobicContact CG1-CD1 3.95Å; V195-L223 HydrophobicContact CG1-CD2 4.46Å; V219-L223 VanDerWaalsContact O-CB 3.23Å; V219-L223 WeakPolarHBondContact O-CB 3.3Å; V219-L223 PolarHBondContact O-N 3.09Å; L223-K225 PolarHBondContact O-N 3.16Å; L223-A226 WeakPolarHBondContact O-CB 3.14Å; L223-A226 PolarHBondContact O-N 3.45Å; L223-C227 PolarHBondContact O-SG 3.27Å; L223-C227 VanDerWaalsContact O-SG 3.35Å; L223-A255 HydrophobicContact CD2-CB 4.07Å; L223-A255 HydrophobicContact CG-CB 3.82Å; L223-D258 HydrophobicContact CD2-CB 4.1Å; L223-L259 HydrophobicContact CD2-CD2 4.23Å; L223-L259 HydrophobicContact CD2-CG 4.2Å
224L96.8Very high91Very high0 Ų057.8 Ų57.80%030%0.298CS..Hα-helixtrans-64.8-40.4177.1-67171.3000111.9V220 A226 C227 Y252 A255 W256 L259 Y278 Y355 P357V220-L224 HydrophobicContact CG1-CD1 4.07Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.34Å; V220-L224 PolarHBondContact O-N 2.94Å; L224-A226 VanDerWaalsContact C-N 3.26Å; L224-A226 PolarHBondContact O-N 2.93Å; L224-C227 WeakPolarHBondContact O-CB 3.24Å; L224-C227 PolarHBondContact O-N 2.75Å; L224-C227 VanDerWaalsContact O-N 3.14Å; L224-Y252 HydrophobicContact CD2-CD2 4.15Å; L224-Y252 HydrophobicContact CD2-CE2 3.8Å; L224-A255 HydrophobicContact CD2-CB 4.2Å; L224-W256 HydrophobicContact CD1-CH2 3.97Å; L224-W256 HydrophobicContact CD1-CZ2 4.16Å; L224-W256 HydrophobicContact CD1-CZ3 4.46Å; L224-W256 HydrophobicContact CD2-CD2 4.29Å; L224-W256 HydrophobicContact CD2-CH2 4.49Å; L224-W256 HydrophobicContact CD2-CZ2 4.08Å; L224-L259 HydrophobicContact CD1-CD1 4.03Å; L224-L259 HydrophobicContact CD2-CD1 3.92Å; L224-L259 HydrophobicContact CG-CD1 3.87Å; L224-Y278 HydrophobicContact CD1-CD1 4.19Å; L224-Y278 HydrophobicContact CD1-CE1 3.96Å; L224-Y355 HydrophobicContact CB-CE2 4.18Å; L224-Y355 WeakPolarHBondContact O-CE2 3.44Å; L224-P357 HydrophobicContact CD1-CB 3.81Å; L224-P357 HydrophobicContact CD1-CG 4.45Å
225K94.4Very high90.4Very high132 Ų13253.5 Ų53.557%0.57428%0.279SS*.Hα-helixtrans-64.2-29.9175.7-78.3175.7-177.3179.60113G221 A222 L223 C227 I228 Y355G221-K225 VanDerWaalsContact O-CB 3.24Å; G221-K225 WeakPolarHBondContact O-CB 3.34Å; G221-K225 WeakPolarHBondContact O-CD 3.49Å; G221-K225 WeakPolarHBondContact O-CG 3.43Å; G221-K225 PolarHBondContact O-N 3.38Å; A222-K225 PolarHBondContact O-N 3.46Å; L223-K225 PolarHBondContact O-N 3.16Å; K225-C227 PolarHBondContact O-N 2.93Å; K225-I228 HydrophobicContact CB-CD1 4.25Å; K225-I228 HydrophobicContact CG-CD1 4.21Å; K225-I228 WeakPolarHBondContact O-CB 3.43Å; K225-I228 WeakPolarHBondContact O-CG1 3.45Å; K225-I228 PolarHBondContact O-N 3.48Å; K225-Y355 WeakPolarHBondContact CG-OH 3.35Å
226A93.5Very high89.7Confident5 Ų559.2 Ų59.24%0.04131%0.313CS..Hα-helixtrans-68.9-18.5176.800000113V176 F188 V192 A222 L223 L224 I228V176-A226 HydrophobicContact CB-CB 3.79Å; V176-A226 HydrophobicContact CG1-CB 4.3Å; F188-A226 HydrophobicContact CD1-CB 4.4Å; V192-A226 HydrophobicContact CG2-CB 3.85Å; A222-A226 PolarHBondContact O-N 3Å; L223-A226 WeakPolarHBondContact O-CB 3.14Å; L223-A226 PolarHBondContact O-N 3.45Å; L224-A226 VanDerWaalsContact C-N 3.26Å; L224-A226 PolarHBondContact O-N 2.93Å; A226-I228 VanDerWaalsContact C-N 3.31Å
227C95.3Very high89.2Confident0 Ų057.8 Ų57.80%030%0.304CS..THydrogen-bonded Turntrans-81.9-7.9175.1-55.40000113.2L223 L224 K225 Y229 A247 I248 L251 Y252L223-C227 PolarHBondContact O-SG 3.27Å; L223-C227 VanDerWaalsContact O-SG 3.35Å; L224-C227 WeakPolarHBondContact O-CB 3.24Å; L224-C227 PolarHBondContact O-N 2.75Å; L224-C227 VanDerWaalsContact O-N 3.14Å; K225-C227 PolarHBondContact O-N 2.93Å; C227-Y229 PolarHBondContact O-N 2.78Å; C227-A247 CarbonylContact O-C 3.38Å; C227-A247 VanDerWaalsContact O-CA 3.3Å; C227-A247 WeakPolarHBondContact O-CA 3.45Å; C227-I248 PolarHBondContact O-N 3.04Å; C227-L251 HydrophobicContact CB-CB 4.24Å; C227-L251 PolarHBondContact SG-O 2.86Å; C227-Y252 HydrophobicContact CB-CD2 4.17Å
228I94.4Very high88.9Confident48 Ų4853.6 Ų53.625%0.24629%0.291CS..BIsolated β-bridgetrans-64.1126.4-179.2-65.5172.1000109.7K225 A226 R230 M246 Y355K225-I228 HydrophobicContact CB-CD1 4.25Å; K225-I228 HydrophobicContact CG-CD1 4.21Å; K225-I228 WeakPolarHBondContact O-CB 3.43Å; K225-I228 WeakPolarHBondContact O-CG1 3.45Å; K225-I228 PolarHBondContact O-N 3.48Å; A226-I228 VanDerWaalsContact C-N 3.31Å; I228-R230 PolarHBondContact O-N 3.47Å; I228-M246 CarbonylContact C-O 3.58Å; I228-M246 WeakPolarHBondContact CA-O 3.22Å; I228-M246 WeakPolarHBondContact CG2-O 3.34Å; I228-Y355 HydrophobicContact CD1-CD1 3.9Å; I228-Y355 HydrophobicContact CD1-CD2 4.19Å; I228-Y355 HydrophobicContact CD1-CE1 3.77Å; I228-Y355 HydrophobicContact CD1-CE2 4.05Å; I228-Y355 HydrophobicContact CD1-CG 4.12Å; I228-Y355 HydrophobicContact CG1-CD1 4.1Å; I228-Y355 HydrophobicContact CG1-CD2 3.66Å; I228-Y355 HydrophobicContact CG1-CE1 4.31Å; I228-Y355 HydrophobicContact CG1-CE2 3.85Å; I228-Y355 HydrophobicContact CG1-CG 3.78Å
229Y92.7Very high88.4Confident56 Ų5655.6 Ų55.622%0.2231%0.309CS..  trans-61.9124.5174.6174.8-102.9000110.5C227 R231 M246 I248 L332 L348 L352C227-Y229 PolarHBondContact O-N 2.78Å; Y229-R231 HydrophobicContact CE1-CB 4.44Å; Y229-M246 PolarHBondContact N-O 3.42Å; Y229-I248 HydrophobicContact CD2-CG1 4.3Å; Y229-L332 HydrophobicContact CE1-CD1 4.41Å; Y229-L348 HydrophobicContact CE2-CD2 4.33Å; Y229-L352 HydrophobicContact CD1-CD1 4Å; Y229-L352 HydrophobicContact CD2-CD1 4.35Å; Y229-L352 HydrophobicContact CD2-CD2 3.81Å; Y229-L352 HydrophobicContact CE1-CD1 4.38Å; Y229-L352 HydrophobicContact CG-CD1 3.98Å; Y229-L352 HydrophobicContact CG-CD2 3.82Å
230R86.3Confident87.9Confident112 Ų11267.4 Ų67.442%0.42335%0.353SS..  trans-105.1119174.7-63.2-173.2-173.4-167.32.9109.3N179 I228N179-R230 PolarHBondContact O-NH1 2.98Å; I228-R230 PolarHBondContact O-N 3.47Å
231R83.1Confident87.5Confident116 Ų11669.1 Ų69.144%0.43836%0.36SS..PPolyproline II helixtrans-59.2150.9173.963.4-174.6-176.183.5-9.1111.7Y229 I235 L332Y229-R231 HydrophobicContact CE1-CB 4.44Å; R231-I235 PolarHBondContact NH1-O 2.98Å; R231-L332 HydrophobicContact CB-CD2 4.15Å
232P78.4Confident87.1Confident66 Ų6673.2 Ų73.243%0.42939%0.386SS..PPolyproline II helixtrans-55.6139.4174.8-24.633.4000112.8I235P232-I235 HydrophobicContact CB-CD1 4.02Å; P232-I235 HydrophobicContact CG-CD1 4.1Å
233E71.8Confident86.6Confident151 Ų15174.5 Ų74.571%0.70639%0.392SS*.THydrogen-bonded Turntrans-63.8135.3173.1-65.9-179.6175.200110.2
234G74.6Confident86.4Confident78 Ų7876.6 Ų76.680%0.80441%0.405SS*.THydrogen-bonded Turntrans102.5-16.3177.900000115.7
235I81Confident86.3Confident21 Ų2180 Ų8011%0.10843%0.427CS..PPolyproline II helixtrans-80.4125.3174.3-66.8173.4000109.7R231 P232 L332 A335R231-I235 PolarHBondContact NH1-O 2.98Å; P232-I235 HydrophobicContact CB-CD1 4.02Å; P232-I235 HydrophobicContact CG-CD1 4.1Å; I235-L332 HydrophobicContact CD1-CD2 4.1Å; I235-L332 HydrophobicContact CG2-CD2 3.93Å; I235-A335 HydrophobicContact CG2-CB 3.54Å
236V81.4Confident86.3Confident124 Ų12474 Ų7475%0.75240%0.401SS*.PPolyproline II helixtrans-101.8118.5175.5-177.50000108.8
237L85.2Confident86.5Confident23 Ų2373.8 Ų73.812%0.1240%0.399CS..PPolyproline II helixtrans-78.6156.7176-65.2175.4000110.8Y241 P243 L332L237-Y241 HydrophobicContact CB-CD1 4.43Å; L237-Y241 HydrophobicContact CD1-CD1 4.27Å; L237-Y241 HydrophobicContact CD1-CE1 4.37Å; L237-P243 HydrophobicContact CD1-CB 4.26Å; L237-P243 HydrophobicContact CD1-CG 3.71Å; L237-L332 HydrophobicContact CD2-CD2 4.35Å
238P85.6Confident86.5Confident49 Ų4976 Ų7632%0.31841%0.411SS..PPolyproline II helixtrans-55.8140.5177.3-24.233.3000112.4R240 Y241 Y331P238-R240 PolarHBondContact O-N 3.34Å; P238-Y241 PolarHBondContact O-N 3.2Å; P238-Y331 HydrophobicContact CG-CD1 3.51Å; P238-Y331 HydrophobicContact CG-CE1 3.62Å; P238-Y331 HydrophobicContact CG-CG 4.21Å
239P83.6Confident86.6Confident141 Ų14175.1 Ų75.192%0.91641%0.409SS*.THydrogen-bonded Turntrans-59.9-24.4-173.5-24.532.1000115.6
240R85.9Confident86.8Confident252 Ų25276.4 Ų76.495%0.95143%0.426SS*.THydrogen-bonded Turntrans-93.5-9.5179.4-67.2-174177.6-177.2-0.7113.5P238P238-R240 PolarHBondContact O-N 3.34Å
241Y87.9Confident87.3Confident36 Ų3671.5 Ų71.514%0.14141%0.408CS..  trans-94.6115.8-178.2179.3-110.2000109.6L237 P238 P243 E327 L328 Y331L237-Y241 HydrophobicContact CB-CD1 4.43Å; L237-Y241 HydrophobicContact CD1-CD1 4.27Å; L237-Y241 HydrophobicContact CD1-CE1 4.37Å; P238-Y241 PolarHBondContact O-N 3.2Å; Y241-P243 HydrophobicContact CE1-CB 3.78Å; Y241-E327 HydrophobicContact CE2-CG 4.01Å; Y241-L328 HydrophobicContact CE1-CD1 4.24Å; Y241-Y331 AromaticContact CD1-CD2 3.63Å; Y241-Y331 HydrophobicContact CD1-CD2 3.63Å; Y241-Y331 AromaticContact CD1-CE2 3.87Å; Y241-Y331 HydrophobicContact CD1-CE2 3.87Å; Y241-Y331 HydrophobicContact CD1-CG 4.38Å; Y241-Y331 HydrophobicContact CD2-CD2 4.04Å; Y241-Y331 AromaticContact CD2-CE2 3.44Å; Y241-Y331 HydrophobicContact CD2-CE2 3.44Å; Y241-Y331 VanDerWaalsContact CD2-CE2 3.44Å; Y241-Y331 AromaticContact CE1-CD2 3.53Å; Y241-Y331 HydrophobicContact CE1-CD2 3.53Å; Y241-Y331 AromaticContact CE1-CE2 3.98Å; Y241-Y331 HydrophobicContact CE1-CE2 3.98Å; Y241-Y331 HydrophobicContact CE1-CG 4.48Å; Y241-Y331 AromaticContact CE2-CD2 3.97Å; Y241-Y331 HydrophobicContact CE2-CD2 3.97Å; Y241-Y331 AromaticContact CE2-CE2 3.58Å; Y241-Y331 HydrophobicContact CE2-CE2 3.58Å; Y241-Y331 AromaticContact CG-CD2 3.87Å; Y241-Y331 HydrophobicContact CG-CD2 3.87Å; Y241-Y331 AromaticContact CG-CE2 3.59Å; Y241-Y331 HydrophobicContact CG-CE2 3.59Å; Y241-Y331 AromaticContact CZ-CD2 3.71Å; Y241-Y331 AromaticContact CZ-CE2 3.84Å
242S85.4Confident88Confident104 Ų10466 Ų6673%0.72739%0.387SS*.  trans-102.8107.4170.1-179.10000108V244S242-V244 PolarHBondContact O-N 3.25Å
243P85Confident88.9Confident49 Ų4963.6 Ų63.632%0.31837%0.37SS..PPolyproline II helixtrans-64137.4-179.127.2-34.7000110.7L237 Y241 L328L237-P243 HydrophobicContact CD1-CB 4.26Å; L237-P243 HydrophobicContact CD1-CG 3.71Å; Y241-P243 HydrophobicContact CE1-CB 3.78Å; P243-L328 HydrophobicContact CB-CD1 4.02Å
244V92Very high90.2Very high45 Ų4559 Ų5927%0.27335%0.348SS..PPolyproline II helixtrans-68.4135.2170179.20000108.5S242 M246 E324 K354S242-V244 PolarHBondContact O-N 3.25Å; V244-M246 HydrophobicContact CB-CE 4.19Å; V244-M246 HydrophobicContact CG1-CE 4.43Å; V244-M246 PolarHBondContact O-N 3.12Å; V244-E324 HydrophobicContact CG2-CG 4.32Å; V244-K354 HydrophobicContact CG1-CD 4.36Å; V244-K354 HydrophobicContact CG1-CG 4.07Å
245P94.3Very high91.3Very high73 Ų7355.2 Ų55.247%0.47431%0.31SS..PPolyproline II helixtrans-58.8125.1175.3-25.135.3000111.4Y355P245-Y355 HydrophobicContact CB-CD1 4.08Å; P245-Y355 WeakPolarHBondContact O-CB 3.3Å; P245-Y355 PolarHBondContact O-N 3.43Å
246M95.8Very high92.1Very high5 Ų554.2 Ų54.23%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-111.5150.7175.8-60.7-59179.300110.1I228 Y229 V244 E324 I325 L328 L352 M353 K354I228-M246 CarbonylContact C-O 3.58Å; I228-M246 WeakPolarHBondContact CA-O 3.22Å; I228-M246 WeakPolarHBondContact CG2-O 3.34Å; Y229-M246 PolarHBondContact N-O 3.42Å; V244-M246 HydrophobicContact CB-CE 4.19Å; V244-M246 HydrophobicContact CG1-CE 4.43Å; V244-M246 PolarHBondContact O-N 3.12Å; M246-E324 HydrophobicContact CE-CB 3.47Å; M246-E324 VanDerWaalsContact CE-CB 3.47Å; M246-I325 HydrophobicContact CE-CG1 3.81Å; M246-I325 HydrophobicContact SD-CG1 4Å; M246-L328 HydrophobicContact CG-CD2 4.22Å; M246-L352 HydrophobicContact CB-CB 4.36Å; M246-L352 HydrophobicContact CB-CD1 4.09Å; M246-L352 HydrophobicContact CG-CD1 4.43Å; M246-M353 CarbonylContact C-O 3.51Å; M246-M353 VanDerWaalsContact CA-O 3.31Å; M246-M353 WeakPolarHBondContact CA-O 3.48Å; M246-K354 HydrophobicContact SD-CB 4.42Å
247A96.2Very high92.9Very high0 Ų048.5 Ų48.50%027%0.27CS..EExtended strand (participates in β ladder)trans-113.8148.8172.600000110.6C227 C249 Y252 L352 M353 Y355C227-A247 CarbonylContact O-C 3.38Å; C227-A247 VanDerWaalsContact O-CA 3.3Å; C227-A247 WeakPolarHBondContact O-CA 3.45Å; A247-C249 PolarHBondContact O-N 3.11Å; A247-Y252 HydrophobicContact CB-CD2 3.79Å; A247-Y252 HydrophobicContact CB-CE2 4.4Å; A247-Y252 HydrophobicContact CB-CG 4.05Å; A247-L352 WeakPolarHBondContact O-CA 3.47Å; A247-M353 HydrophobicContact CB-CG 4.39Å; A247-M353 PolarHBondContact N-O 2.79Å; A247-M353 PolarHBondContact O-N 3.1Å; A247-Y355 HydrophobicContact CB-CD2 4.27Å
248I96.7Very high93.5Very high48 Ų4847.4 Ų47.425%0.24626%0.264CS..EExtended strand (participates in β ladder)trans-74.7115.8171.7-60.2171.6000107.8C227 Y229 S250 L251 Y252 L352C227-I248 PolarHBondContact O-N 3.04Å; Y229-I248 HydrophobicContact CD2-CG1 4.3Å; I248-S250 PolarHBondContact O-N 3.12Å; I248-L251 HydrophobicContact CB-CB 4.39Å; I248-L251 HydrophobicContact CB-CD1 4.13Å; I248-L251 HydrophobicContact CB-CG 4.31Å; I248-L251 HydrophobicContact CD1-CD1 3.95Å; I248-L251 HydrophobicContact CG2-CB 4.48Å; I248-L251 HydrophobicContact CG2-CD1 4.2Å; I248-L251 HydrophobicContact CG2-CG 4.07Å; I248-L251 PolarHBondContact O-N 3.45Å; I248-Y252 WeakPolarHBondContact O-CB 3.48Å; I248-Y252 PolarHBondContact O-N 3.35Å; I248-L352 HydrophobicContact CG1-CD2 4.12Å
249C96.4Very high94.1Very high29 Ų2945 Ų4520%0.19625%0.249CC..Hα-helixtrans-52.2-49.3-171.6-730000113A247 L251 Y252 W253 Q351 L352 M353A247-C249 PolarHBondContact O-N 3.11Å; C249-L251 PolarHBondContact O-N 3.11Å; C249-Y252 PolarHBondContact O-N 3.43Å; C249-W253 PolarHBondContact O-N 3.43Å; C249-Q351 WeakPolarHBondContact CB-O 3.48Å; C249-Q351 PolarHBondContact N-O 3.27Å; C249-Q351 PolarHBondContact SG-O 3.23Å; C249-L352 PolarHBondContact SG-O 2.89Å; C249-M353 PolarHBondContact SG-N 3.41Å
250S96.3Very high94.8Very high83 Ų8338.4 Ų38.458%0.5821%0.206SC*.Hα-helixtrans-60.5-45.2-177.553.10000112.6I248 M254I248-S250 PolarHBondContact O-N 3.12Å; S250-M254 WeakPolarHBondContact O-CB 3.44Å; S250-M254 PolarHBondContact O-N 3.48Å; S250-M254 VanDerWaalsContact O-N 3.13Å
251L97Very high95.4Very high8 Ų826.5 Ų26.54%0.04216%0.161CC..Hα-helixtrans-70.1-39.5178.1-60.5-179.9000111.6A189 V192 C227 I248 C249 M254 A255A189-L251 HydrophobicContact CB-CD1 3.81Å; A189-L251 HydrophobicContact CB-CD2 4.15Å; V192-L251 HydrophobicContact CB-CD2 4.41Å; V192-L251 HydrophobicContact CG1-CD2 4.34Å; C227-L251 HydrophobicContact CB-CB 4.24Å; C227-L251 PolarHBondContact SG-O 2.86Å; I248-L251 HydrophobicContact CB-CB 4.39Å; I248-L251 HydrophobicContact CB-CD1 4.13Å; I248-L251 HydrophobicContact CB-CG 4.31Å; I248-L251 HydrophobicContact CD1-CD1 3.95Å; I248-L251 HydrophobicContact CG2-CB 4.48Å; I248-L251 HydrophobicContact CG2-CD1 4.2Å; I248-L251 HydrophobicContact CG2-CG 4.07Å; I248-L251 PolarHBondContact O-N 3.45Å; C249-L251 PolarHBondContact O-N 3.11Å; L251-M254 PolarHBondContact O-N 3.5Å; L251-A255 WeakPolarHBondContact O-CB 3.16Å; L251-A255 PolarHBondContact O-N 3.39Å
252Y97.6Very high95.9Very high1 Ų124.8 Ų24.80%0.00415%0.154CC..Hα-helixtrans-63.1-44.3-178.8-169.8-109.6000111.7L224 C227 A247 I248 C249 A255 W256 M353 Y355 P357L224-Y252 HydrophobicContact CD2-CD2 4.15Å; L224-Y252 HydrophobicContact CD2-CE2 3.8Å; C227-Y252 HydrophobicContact CB-CD2 4.17Å; A247-Y252 HydrophobicContact CB-CD2 3.79Å; A247-Y252 HydrophobicContact CB-CE2 4.4Å; A247-Y252 HydrophobicContact CB-CG 4.05Å; I248-Y252 WeakPolarHBondContact O-CB 3.48Å; I248-Y252 PolarHBondContact O-N 3.35Å; C249-Y252 PolarHBondContact O-N 3.43Å; Y252-A255 WeakPolarHBondContact O-CB 3.3Å; Y252-A255 PolarHBondContact O-N 3.04Å; Y252-W256 AromaticContact CD1-CD1 3.77Å; Y252-W256 AromaticContact CD1-NE1 3.5Å; Y252-W256 AromaticContact CE1-CD1 3.73Å; Y252-W256 AromaticContact CE1-NE1 2.98Å; Y252-W256 AromaticContact CE2-NE1 3.92Å; Y252-W256 AromaticContact CZ-CE2 3.92Å; Y252-W256 AromaticContact CZ-NE1 3.22Å; Y252-W256 PolarHBondContact O-N 3.21Å; Y252-M353 HydrophobicContact CD1-CE 3.87Å; Y252-M353 HydrophobicContact CD1-CG 4.37Å; Y252-M353 HydrophobicContact CD1-SD 3.33Å; Y252-M353 WeakPolarHBondContact CD1-SD 3.29Å; Y252-M353 HydrophobicContact CE1-CE 3.7Å; Y252-M353 HydrophobicContact CE1-SD 3.83Å; Y252-M353 HydrophobicContact CG-SD 4.14Å; Y252-Y355 HydrophobicContact CE2-CD2 4.13Å; Y252-Y355 HydrophobicContact CE2-CE2 4.43Å; Y252-P357 WeakPolarHBondContact OH-CA 3.19Å
253W98.1Very high96.4Very high16 Ų1619.9 Ų19.96%0.06112%0.12CC..Hα-helixtrans-71.6-34.9176-67.9118.5000113.1C249 A255 W256 I257 T280 M353 R362 C363 P364 P365 V368C249-W253 PolarHBondContact O-N 3.43Å; W253-A255 VanDerWaalsContact C-N 3.34Å; W253-W256 HydrophobicContact CE3-CB 4.38Å; W253-W256 AromaticContact CE3-CD1 3.65Å; W253-W256 HydrophobicContact CE3-CG 4.29Å; W253-W256 AromaticContact CZ3-CD1 3.84Å; W253-W256 HydrophobicContact CZ3-CG 4.48Å; W253-W256 PolarHBondContact O-N 3.48Å; W253-I257 WeakPolarHBondContact O-CG1 3.24Å; W253-I257 PolarHBondContact O-N 2.86Å; W253-I257 VanDerWaalsContact O-N 3.08Å; W253-T280 HydrophobicContact CH2-CG2 4.28Å; W253-T280 HydrophobicContact CZ3-CG2 3.94Å; W253-M353 HydrophobicContact CZ2-CE 3.99Å; W253-M353 HydrophobicContact CZ2-SD 4.16Å; W253-R362 HydrophobicContact CH2-CB 4.1Å; W253-R362 HydrophobicContact CZ2-CB 4.48Å; W253-C363 WeakPolarHBondContact CZ2-O 3.46Å; W253-P364 HydrophobicContact CD2-CB 4.46Å; W253-P364 HydrophobicContact CE3-CB 3.9Å; W253-P364 HydrophobicContact CE3-CG 4.43Å; W253-P364 VanDerWaalsContact CH2-CA 3.45Å; W253-P364 HydrophobicContact CH2-CB 3.9Å; W253-P364 HydrophobicContact CH2-CG 4.02Å; W253-P364 HydrophobicContact CZ2-CB 4.45Å; W253-P364 HydrophobicContact CZ3-CB 3.6Å; W253-P364 HydrophobicContact CZ3-CG 3.71Å; W253-P365 VanDerWaalsContact CE2-CD 3.42Å; W253-V368 HydrophobicContact CB-CG1 4.18Å; W253-V368 HydrophobicContact CB-CG2 3.65Å; W253-V368 HydrophobicContact CE3-CG1 4.21Å; W253-V368 HydrophobicContact CG-CG2 3.98Å
254M97.9Very high96.9Very high53 Ų5317.9 Ų17.926%0.26111%0.107SC..Hα-helixtrans-59.1-46.3170.4-176.4-176.8-6600111.2V192 E193 D196 S250 L251 W256 I257 D258V192-M254 HydrophobicContact CG1-SD 4.36Å; E193-M254 HydrophobicContact CG-SD 4.44Å; D196-M254 HydrophobicContact CB-CG 4.11Å; D196-M254 HydrophobicContact CB-SD 3.83Å; S250-M254 WeakPolarHBondContact O-CB 3.44Å; S250-M254 PolarHBondContact O-N 3.48Å; S250-M254 VanDerWaalsContact O-N 3.13Å; L251-M254 PolarHBondContact O-N 3.5Å; M254-W256 VanDerWaalsContact C-N 3.33Å; M254-W256 PolarHBondContact O-N 2.97Å; M254-I257 WeakPolarHBondContact O-CB 3.23Å; M254-I257 PolarHBondContact O-N 2.68Å; M254-I257 VanDerWaalsContact O-N 3.13Å; M254-D258 PolarHBondContact O-N 2.65Å
255A98Very high96.9Very high0 Ų017.9 Ų17.90%011%0.107CC..Hα-helixtrans-59.4-41.2175.700000112.2L223 L224 L251 Y252 W253 I257 D258 L259L223-A255 HydrophobicContact CD2-CB 4.07Å; L223-A255 HydrophobicContact CG-CB 3.82Å; L224-A255 HydrophobicContact CD2-CB 4.2Å; L251-A255 WeakPolarHBondContact O-CB 3.16Å; L251-A255 PolarHBondContact O-N 3.39Å; Y252-A255 WeakPolarHBondContact O-CB 3.3Å; Y252-A255 PolarHBondContact O-N 3.04Å; W253-A255 VanDerWaalsContact C-N 3.34Å; A255-I257 PolarHBondContact O-N 3.27Å; A255-D258 PolarHBondContact O-N 2.92Å; A255-L259 WeakPolarHBondContact O-CB 3.45Å; A255-L259 WeakPolarHBondContact O-CG 3.33Å; A255-L259 PolarHBondContact O-N 3.33Å
256W98.2Very high97Very high0 Ų015 Ų150%09%0.088CC..Hα-helixtrans-60.8-43.4174.2-77.8118.6000112.5L224 Y252 W253 M254 D258 L259 I260 L274 Y278 T280 L284 P357L224-W256 HydrophobicContact CD1-CH2 3.97Å; L224-W256 HydrophobicContact CD1-CZ2 4.16Å; L224-W256 HydrophobicContact CD1-CZ3 4.46Å; L224-W256 HydrophobicContact CD2-CD2 4.29Å; L224-W256 HydrophobicContact CD2-CH2 4.49Å; L224-W256 HydrophobicContact CD2-CZ2 4.08Å; Y252-W256 AromaticContact CD1-CD1 3.77Å; Y252-W256 AromaticContact CD1-NE1 3.5Å; Y252-W256 AromaticContact CE1-CD1 3.73Å; Y252-W256 AromaticContact CE1-NE1 2.98Å; Y252-W256 AromaticContact CE2-NE1 3.92Å; Y252-W256 AromaticContact CZ-CE2 3.92Å; Y252-W256 AromaticContact CZ-NE1 3.22Å; Y252-W256 PolarHBondContact O-N 3.21Å; W253-W256 HydrophobicContact CE3-CB 4.38Å; W253-W256 AromaticContact CE3-CD1 3.65Å; W253-W256 HydrophobicContact CE3-CG 4.29Å; W253-W256 AromaticContact CZ3-CD1 3.84Å; W253-W256 HydrophobicContact CZ3-CG 4.48Å; W253-W256 PolarHBondContact O-N 3.48Å; M254-W256 VanDerWaalsContact C-N 3.33Å; M254-W256 PolarHBondContact O-N 2.97Å; W256-D258 VanDerWaalsContact C-N 3.33Å; W256-D258 PolarHBondContact O-N 3.44Å; W256-L259 HydrophobicContact CE3-CD1 4.01Å; W256-L259 HydrophobicContact CZ3-CD1 4.18Å; W256-L259 PolarHBondContact O-N 3.46Å; W256-I260 WeakPolarHBondContact O-CG1 3.33Å; W256-I260 PolarHBondContact O-N 3.36Å; W256-L274 HydrophobicContact CZ3-CD2 3.96Å; W256-Y278 HydrophobicContact CH2-CD1 4Å; W256-Y278 HydrophobicContact CH2-CG 4.32Å; W256-T280 HydrophobicContact CD2-CG2 4.23Å; W256-T280 HydrophobicContact CZ2-CG2 4.28Å; W256-L284 HydrophobicContact CB-CD1 4.01Å; W256-L284 HydrophobicContact CG-CD1 4.4Å; W256-P357 HydrophobicContact CH2-CB 4.43Å; W256-P357 HydrophobicContact CZ2-CB 4.14Å
257I98.1Very high97Very high3 Ų316.2 Ų16.22%0.01510%0.096CC..Hα-helixtrans-59.1-47.2176.3-66.3173.5000110.6W253 M254 A255 L259 I260 I261 V368 Q371 I372 L375W253-I257 WeakPolarHBondContact O-CG1 3.24Å; W253-I257 PolarHBondContact O-N 2.86Å; W253-I257 VanDerWaalsContact O-N 3.08Å; M254-I257 WeakPolarHBondContact O-CB 3.23Å; M254-I257 PolarHBondContact O-N 2.68Å; M254-I257 VanDerWaalsContact O-N 3.13Å; A255-I257 PolarHBondContact O-N 3.27Å; I257-L259 VanDerWaalsContact C-N 3.31Å; I257-L259 PolarHBondContact O-N 2.87Å; I257-I260 PolarHBondContact O-N 3.41Å; I257-I261 HydrophobicContact CG2-CD1 4.11Å; I257-I261 WeakPolarHBondContact O-CG1 3.4Å; I257-I261 PolarHBondContact O-N 2.88Å; I257-V368 HydrophobicContact CD1-CG1 4.07Å; I257-V368 HydrophobicContact CG1-CG1 4.14Å; I257-Q371 HydrophobicContact CD1-CB 4.12Å; I257-Q371 VanDerWaalsContact CD1-CD 3.41Å; I257-Q371 HydrophobicContact CD1-CG 3.95Å; I257-I372 HydrophobicContact CG1-CD1 4.33Å; I257-I372 HydrophobicContact CG1-CG1 3.93Å; I257-L375 HydrophobicContact CG2-CD1 3.37Å
258D98Very high96.9Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-59.8-40.9177.2-79.2-22.1000112.4D196 I199 L223 M254 A255 W256 I261 L262D196-D258 VanDerWaalsContact CA-OD2 3.23Å; D196-D258 WeakPolarHBondContact CA-OD2 3.37Å; D196-D258 WeakPolarHBondContact CB-OD2 3.45Å; I199-D258 HydrophobicContact CD1-CB 3.71Å; L223-D258 HydrophobicContact CD2-CB 4.1Å; M254-D258 PolarHBondContact O-N 2.65Å; A255-D258 PolarHBondContact O-N 2.92Å; W256-D258 VanDerWaalsContact C-N 3.33Å; W256-D258 PolarHBondContact O-N 3.44Å; D258-I261 PolarHBondContact O-N 3.43Å; D258-L262 WeakPolarHBondContact O-CB 3.43Å; D258-L262 VanDerWaalsContact O-CG 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.44Å; D258-L262 PolarHBondContact O-N 2.98Å
259L98.4Very high96.9Very high0 Ų023.1 Ų23.10%013%0.131CC..Hα-helixtrans-66.1-38.2177.5-69.7171.4000112.2V220 L223 L224 A255 W256 I257 L262 S263 V270 L274V220-L259 HydrophobicContact CB-CD2 4.18Å; V220-L259 HydrophobicContact CG1-CD1 4.07Å; V220-L259 HydrophobicContact CG1-CD2 4.17Å; V220-L259 HydrophobicContact CG2-CD2 4.02Å; L223-L259 HydrophobicContact CD2-CD2 4.23Å; L223-L259 HydrophobicContact CD2-CG 4.2Å; L224-L259 HydrophobicContact CD1-CD1 4.03Å; L224-L259 HydrophobicContact CD2-CD1 3.92Å; L224-L259 HydrophobicContact CG-CD1 3.87Å; A255-L259 WeakPolarHBondContact O-CB 3.45Å; A255-L259 WeakPolarHBondContact O-CG 3.33Å; A255-L259 PolarHBondContact O-N 3.33Å; W256-L259 HydrophobicContact CE3-CD1 4.01Å; W256-L259 HydrophobicContact CZ3-CD1 4.18Å; W256-L259 PolarHBondContact O-N 3.46Å; I257-L259 VanDerWaalsContact C-N 3.31Å; I257-L259 PolarHBondContact O-N 2.87Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 3.13Å; L259-S263 VanDerWaalsContact O-CB 3.29Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 3.28Å; L259-S263 PolarHBondContact O-OG 2.82Å; L259-V270 HydrophobicContact CD2-CG1 4.44Å; L259-L274 HydrophobicContact CB-CD1 3.99Å; L259-L274 HydrophobicContact CB-CD2 4.45Å; L259-L274 HydrophobicContact CD1-CD2 4.46Å
260I98.1Very high97Very high2 Ų221.8 Ų21.81%0.0112%0.122CC..Hα-helixtrans-64.1-44.5173.2-64.4-60.4000110.5W256 I257 S263 L274 L284 M285 V288 L381 F385W256-I260 WeakPolarHBondContact O-CG1 3.33Å; W256-I260 PolarHBondContact O-N 3.36Å; I257-I260 PolarHBondContact O-N 3.41Å; I260-S263 PolarHBondContact O-N 3.22Å; I260-S263 PolarHBondContact O-OG 3.3Å; I260-L274 HydrophobicContact CD1-CD1 4.34Å; I260-L284 HydrophobicContact CD1-CB 3.56Å; I260-L284 HydrophobicContact CD1-CD1 4.48Å; I260-L284 HydrophobicContact CG1-CB 3.95Å; I260-L284 HydrophobicContact CG1-CD1 4.22Å; I260-M285 HydrophobicContact CD1-CB 4.45Å; I260-M285 HydrophobicContact CD1-CG 3.51Å; I260-V288 HydrophobicContact CG2-CG2 4.27Å; I260-L381 HydrophobicContact CG2-CD1 4.28Å; I260-F385 HydrophobicContact CG2-CE2 4.32Å; I260-F385 HydrophobicContact CG2-CZ 4.24Å
261I97.7Very high97Very high2 Ų217.8 Ų17.81%0.019%0.094CC..Hα-helixtrans-57.3-56.1173.8-66.5169.4000109.7I199 Y203 I257 D258 S263 S264 L375 L379I199-I261 HydrophobicContact CG2-CB 4.26Å; I199-I261 HydrophobicContact CG2-CG2 3.74Å; Y203-I261 HydrophobicContact CD1-CG2 3.35Å; Y203-I261 HydrophobicContact CD2-CG2 3.57Å; Y203-I261 HydrophobicContact CE1-CG2 3.32Å; Y203-I261 WeakPolarHBondContact CE1-O 3.28Å; Y203-I261 HydrophobicContact CE2-CG2 3.59Å; Y203-I261 HydrophobicContact CG-CG2 3.44Å; Y203-I261 VanDerWaalsContact CG-CG2 3.44Å; Y203-I261 VanDerWaalsContact CZ-CG2 3.45Å; Y203-I261 VanDerWaalsContact CZ-O 3.3Å; Y203-I261 PolarHBondContact OH-O 3.39Å; I257-I261 HydrophobicContact CG2-CD1 4.11Å; I257-I261 WeakPolarHBondContact O-CG1 3.4Å; I257-I261 PolarHBondContact O-N 2.88Å; D258-I261 PolarHBondContact O-N 3.43Å; I261-S263 VanDerWaalsContact C-N 3.29Å; I261-S263 PolarHBondContact O-N 3.4Å; I261-S264 WeakPolarHBondContact O-CB 3.47Å; I261-S264 PolarHBondContact O-N 2.96Å; I261-S264 PolarHBondContact O-OG 3.17Å; I261-L375 HydrophobicContact CD1-CD1 4.12Å; I261-L375 HydrophobicContact CD1-CD2 4.46Å; I261-L379 HydrophobicContact CD1-CD1 4.36Å; I261-L379 HydrophobicContact CG1-CD1 4.13Å; I261-L379 HydrophobicContact CG2-CD1 4.21Å
262L97.6Very high97.1Very high0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-54.9-40.8-178.6-76.8175.7000113.3I199 Y203 L213 V215 V219 D258 L259 S264 T265 N266 V270I199-L262 HydrophobicContact CD1-CD1 3.7Å; I199-L262 HydrophobicContact CD1-CD2 4.25Å; I199-L262 HydrophobicContact CD1-CG 3.94Å; I199-L262 HydrophobicContact CG1-CD1 4.47Å; I199-L262 HydrophobicContact CG1-CD2 4.16Å; I199-L262 HydrophobicContact CG1-CG 4.36Å; I199-L262 HydrophobicContact CG2-CD2 4.36Å; I199-L262 HydrophobicContact CG2-CG 4.36Å; Y203-L262 HydrophobicContact CE2-CD2 4.27Å; Y203-L262 WeakPolarHBondContact OH-CA 3.35Å; Y203-L262 PolarHBondContact OH-O 2.97Å; L213-L262 HydrophobicContact CD2-CD2 3.66Å; L213-L262 HydrophobicContact CG-CD2 4.17Å; V215-L262 HydrophobicContact CG2-CD1 4.43Å; V215-L262 HydrophobicContact CG2-CD2 3.91Å; V219-L262 HydrophobicContact CG1-CD1 4.07Å; D258-L262 WeakPolarHBondContact O-CB 3.43Å; D258-L262 VanDerWaalsContact O-CG 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.44Å; D258-L262 PolarHBondContact O-N 2.98Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 3.13Å; L262-S264 PolarHBondContact O-N 3.2Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-N266 WeakPolarHBondContact O-CB 3.38Å; L262-N266 PolarHBondContact O-N 3.23Å; L262-N266 PolarHBondContact O-ND2 3.46Å; L262-N266 VanDerWaalsContact O-ND2 3.14Å; L262-V270 HydrophobicContact CB-CG1 4.18Å
263S97.1Very high97.1Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-62.2-26.6-179.567.40000113.4L259 I260 I261 N266 P267 F385L259-S263 VanDerWaalsContact O-CB 3.29Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 3.28Å; L259-S263 PolarHBondContact O-OG 2.82Å; I260-S263 PolarHBondContact O-N 3.22Å; I260-S263 PolarHBondContact O-OG 3.3Å; I261-S263 VanDerWaalsContact C-N 3.29Å; I261-S263 PolarHBondContact O-N 3.4Å; S263-N266 CarbonylContact O-C 3.57Å; S263-P267 VanDerWaalsContact O-CA 3.31Å; S263-P267 WeakPolarHBondContact O-CA 3.42Å; S263-F385 WeakPolarHBondContact OG-CE1 3.17Å; S263-F385 WeakPolarHBondContact OG-CZ 3.36Å
264S94.5Very high97.1Very high7 Ų717.9 Ų17.95%0.04910%0.099CC..Hα-helixtrans-72.6-30.3-178.274.70000113.8I261 L262 L381I261-S264 WeakPolarHBondContact O-CB 3.47Å; I261-S264 PolarHBondContact O-N 2.96Å; I261-S264 PolarHBondContact O-OG 3.17Å; L262-S264 PolarHBondContact O-N 3.2Å; S264-L381 WeakPolarHBondContact OG-CD2 3.23Å
265T92.5Very high97Very high45 Ų4516.7 Ų16.728%0.2769%0.092SC..Hα-helixtrans-102.5-10.3173.7720000112.9Y203 V211 L262 P267Y203-T265 HydrophobicContact CD1-CG2 4.44Å; Y203-T265 HydrophobicContact CE1-CG2 3.49Å; Y203-T265 VanDerWaalsContact CE1-CG2 3.49Å; Y203-T265 WeakPolarHBondContact OH-CB 3.46Å; Y203-T265 WeakPolarHBondContact OH-CG2 3.43Å; Y203-T265 PolarHBondContact OH-OG1 3.18Å; V211-T265 HydrophobicContact CB-CG2 4.02Å; V211-T265 HydrophobicContact CG2-CG2 4.04Å; L262-T265 PolarHBondContact O-N 3.39Å; T265-P267 WeakPolarHBondContact O-CD 3.26Å
266N96.4Very high96.9Very high14 Ų1425.7 Ų25.78%0.07513%0.126CC..  trans-123.755.2177.8-61.2-87.7000110.8L213 E214 V215 L262 S263 Q268 T269 V270 G271L213-N266 PolarHBondContact O-ND2 3Å; E214-N266 WeakPolarHBondContact CA-OD1 3.34Å; V215-N266 HydrophobicContact CG2-CB 4.18Å; V215-N266 PolarHBondContact N-OD1 2.85Å; V215-N266 PolarHBondContact O-OD1 3.23Å; L262-N266 WeakPolarHBondContact O-CB 3.38Å; L262-N266 PolarHBondContact O-N 3.23Å; L262-N266 PolarHBondContact O-ND2 3.46Å; L262-N266 VanDerWaalsContact O-ND2 3.14Å; S263-N266 CarbonylContact O-C 3.57Å; N266-Q268 VanDerWaalsContact C-N 3.32Å; N266-Q268 PolarHBondContact O-N 2.94Å; N266-T269 WeakPolarHBondContact CB-OG1 3.44Å; N266-T269 PolarHBondContact O-N 3.48Å; N266-T269 PolarHBondContact O-OG1 3.25Å; N266-V270 HydrophobicContact CB-CB 4.26Å; N266-V270 HydrophobicContact CB-CG2 4.25Å; N266-V270 PolarHBondContact O-N 3.48Å; N266-G271 PolarHBondContact O-N 2.95Å
267P95.7Very high96.8Very high30 Ų3028.4 Ų28.420%0.19515%0.145CC..Iπ-helixtrans-66.7-31.8-171.826.4-35.4000113.1S263 T265 T269 G271 A272 S388 P391 F393S263-P267 VanDerWaalsContact O-CA 3.31Å; S263-P267 WeakPolarHBondContact O-CA 3.42Å; T265-P267 WeakPolarHBondContact O-CD 3.26Å; P267-T269 VanDerWaalsContact C-N 3.33Å; P267-T269 PolarHBondContact O-N 3.39Å; P267-G271 CarbonylContact O-C 3.26Å; P267-A272 PolarHBondContact O-N 3.28Å; P267-S388 VanDerWaalsContact CB-OG 3.24Å; P267-S388 WeakPolarHBondContact CB-OG 3.2Å; P267-P391 WeakPolarHBondContact O-CD 3.5Å; P267-F393 HydrophobicContact CB-CE2 3.92Å; P267-F393 HydrophobicContact CB-CZ 4.28Å
268Q95.6Very high96.7Very high142 Ų14229.5 Ų29.566%0.66415%0.149SC*.Iπ-helixtrans-75.3-20.1-179.3-72.4176.49.100113.8N266 A272 S390N266-Q268 VanDerWaalsContact C-N 3.32Å; N266-Q268 PolarHBondContact O-N 2.94Å; Q268-A272 WeakPolarHBondContact O-CB 3.27Å; Q268-S390 WeakPolarHBondContact CG-O 3.41Å
269T96.2Very high96.7Very high51 Ų5131.5 Ų31.531%0.31316%0.162SC..Iπ-helixtrans-112.9-73.4-175.753.50000110.8V215 N266 P267 A273V215-T269 PolarHBondContact O-OG1 2.96Å; N266-T269 WeakPolarHBondContact CB-OG1 3.44Å; N266-T269 PolarHBondContact O-N 3.48Å; N266-T269 PolarHBondContact O-OG1 3.25Å; P267-T269 VanDerWaalsContact C-N 3.33Å; P267-T269 PolarHBondContact O-N 3.39Å; T269-A273 VanDerWaalsContact O-CB 3.28Å; T269-A273 WeakPolarHBondContact O-CB 3.48Å; T269-A273 PolarHBondContact O-N 3.45Å; T269-A273 VanDerWaalsContact O-N 3.09Å
270V97.7Very high96.6Very high0 Ų031.5 Ų31.50%016%0.162CC..Iπ-helixtrans-70.4-50-179.31770000110V215 T216 V220 L259 L262 N266 A272 A273 L274V215-V270 HydrophobicContact CG2-CG2 3.63Å; T216-V270 WeakPolarHBondContact O-CG2 3.11Å; V220-V270 HydrophobicContact CG2-CB 4.48Å; V220-V270 HydrophobicContact CG2-CG1 3.96Å; V220-V270 HydrophobicContact CG2-CG2 4.32Å; L259-V270 HydrophobicContact CD2-CG1 4.44Å; L262-V270 HydrophobicContact CB-CG1 4.18Å; N266-V270 HydrophobicContact CB-CB 4.26Å; N266-V270 HydrophobicContact CB-CG2 4.25Å; N266-V270 PolarHBondContact O-N 3.48Å; V270-A272 PolarHBondContact O-N 2.92Å; V270-A273 WeakPolarHBondContact O-CB 3.5Å; V270-A273 PolarHBondContact O-N 3.27Å; V270-A273 VanDerWaalsContact O-N 3.13Å; V270-L274 HydrophobicContact CG1-CD1 4.21Å; V270-L274 HydrophobicContact CG1-CG 4.26Å; V270-L274 WeakPolarHBondContact O-CG 3.48Å; V270-L274 PolarHBondContact O-N 2.79Å
271G97.5Very high96.6Very high0 Ų031.4 Ų31.40%016%0.162CC..Iπ-helixtrans-59.2-47-18000000112.8N266 P267 A273 L274 W275N266-G271 PolarHBondContact O-N 2.95Å; P267-G271 CarbonylContact O-C 3.26Å; G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.99Å; G271-L274 PolarHBondContact O-N 2.95Å; G271-W275 WeakPolarHBondContact O-CB 3.42Å; G271-W275 PolarHBondContact O-N 2.84Å
272A97.4Very high96.6Very high11 Ų1132.4 Ų32.49%0.09117%0.166CC..Hα-helixtrans-61.5-37.6175.900000112.6P267 Q268 V270 R276 P391P267-A272 PolarHBondContact O-N 3.28Å; Q268-A272 WeakPolarHBondContact O-CB 3.27Å; V270-A272 PolarHBondContact O-N 2.92Å; A272-R276 WeakPolarHBondContact O-CB 3.37Å; A272-R276 VanDerWaalsContact O-CG 3.29Å; A272-R276 WeakPolarHBondContact O-CG 3.42Å; A272-R276 PolarHBondContact O-N 3.39Å; A272-P391 HydrophobicContact CB-CG 4.24Å
273A97.6Very high96.5Very high15 Ų1534.2 Ų34.212%0.12417%0.173CC..Hα-helixtrans-66.4-4917600000111.1K217 T269 V270 G271 R276 S277 Y278K217-A273 HydrophobicContact CB-CB 3.92Å; T269-A273 VanDerWaalsContact O-CB 3.28Å; T269-A273 WeakPolarHBondContact O-CB 3.48Å; T269-A273 PolarHBondContact O-N 3.45Å; T269-A273 VanDerWaalsContact O-N 3.09Å; V270-A273 WeakPolarHBondContact O-CB 3.5Å; V270-A273 PolarHBondContact O-N 3.27Å; V270-A273 VanDerWaalsContact O-N 3.13Å; G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.99Å; A273-R276 PolarHBondContact O-N 3Å; A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 3.18Å; A273-Y278 HydrophobicContact CB-CE2 4.47Å; A273-Y278 WeakPolarHBondContact O-CD2 3.35Å
274L98.1Very high96.6Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-58.2-51.4179.2-67.7-172.6000111.4V220 W256 L259 I260 V270 G271 R276 Y278 M285V220-L274 HydrophobicContact CG1-CD2 3.8Å; W256-L274 HydrophobicContact CZ3-CD2 3.96Å; L259-L274 HydrophobicContact CB-CD1 3.99Å; L259-L274 HydrophobicContact CB-CD2 4.45Å; L259-L274 HydrophobicContact CD1-CD2 4.46Å; I260-L274 HydrophobicContact CD1-CD1 4.34Å; V270-L274 HydrophobicContact CG1-CD1 4.21Å; V270-L274 HydrophobicContact CG1-CG 4.26Å; V270-L274 WeakPolarHBondContact O-CG 3.48Å; V270-L274 PolarHBondContact O-N 2.79Å; G271-L274 PolarHBondContact O-N 2.95Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.34Å; L274-Y278 HydrophobicContact CD2-CD2 4.09Å; L274-Y278 HydrophobicContact CD2-CG 4.19Å; L274-Y278 CarbonylContact O-C 3.57Å; L274-Y278 PolarHBondContact O-N 3.46Å; L274-Y278 VanDerWaalsContact O-N 3.1Å; L274-Y278 VanDerWaalsContact O-O 3.09Å; L274-M285 HydrophobicContact CB-SD 3.66Å; L274-M285 HydrophobicContact CD1-SD 4.1Å
275W97.1Very high96.8Very high28 Ų2833.9 Ų33.911%0.10617%0.171CC..Hα-helixtrans-58.8-39.9-179.3-160.6-97.5000113.2G271 H282 M285 E286 I289 F393 D396 I397G271-W275 WeakPolarHBondContact O-CB 3.42Å; G271-W275 PolarHBondContact O-N 2.84Å; W275-H282 AromaticContact CD1-ND1 3.94Å; W275-H282 AromaticContact CD2-CE1 3.54Å; W275-H282 AromaticContact CD2-ND1 3.31Å; W275-H282 VanDerWaalsContact CD2-ND1 3.31Å; W275-H282 AromaticContact CE2-CE1 3.28Å; W275-H282 AromaticContact CE2-ND1 3.59Å; W275-H282 AromaticContact CE3-CE1 3.9Å; W275-H282 AromaticContact CE3-ND1 3.6Å; W275-H282 AromaticContact CG-ND1 3.63Å; W275-H282 AromaticContact CH2-CE1 3.8Å; W275-H282 AromaticContact CZ2-CE1 3.47Å; W275-H282 VanDerWaalsContact CZ2-CE1 3.47Å; W275-H282 WeakPolarHBondContact CZ2-CE1 3.46Å; W275-H282 AromaticContact NE1-CE1 3.66Å; W275-H282 AromaticContact NE1-ND1 3.91Å; W275-H282 PolarHBondContact O-ND1 3.33Å; W275-H282 VanDerWaalsContact O-ND1 3.13Å; W275-M285 HydrophobicContact CE3-CB 3.94Å; W275-M285 HydrophobicContact CE3-CE 3.82Å; W275-M285 HydrophobicContact CE3-SD 4.06Å; W275-M285 HydrophobicContact CZ3-CB 3.74Å; W275-M285 HydrophobicContact CZ3-CE 4.41Å; W275-E286 HydrophobicContact CH2-CB 4.36Å; W275-E286 HydrophobicContact CZ3-CB 4.42Å; W275-I289 HydrophobicContact CH2-CD1 3.87Å; W275-I289 HydrophobicContact CZ3-CD1 3.85Å; W275-F393 HydrophobicContact CB-CD1 4.12Å; W275-F393 HydrophobicContact CB-CE1 3.73Å; W275-F393 AromaticContact CD2-CD1 3.37Å; W275-F393 HydrophobicContact CD2-CD1 3.37Å; W275-F393 AromaticContact CD2-CE1 3.92Å; W275-F393 HydrophobicContact CD2-CE1 3.92Å; W275-F393 HydrophobicContact CD2-CG 4.37Å; W275-F393 AromaticContact CE2-CD1 3.78Å; W275-F393 HydrophobicContact CE3-CB 4.49Å; W275-F393 AromaticContact CE3-CD1 3.6Å; W275-F393 HydrophobicContact CE3-CD1 3.6Å; W275-F393 HydrophobicContact CE3-CE1 4.13Å; W275-F393 HydrophobicContact CE3-CG 4.31Å; W275-F393 AromaticContact CG-CD1 3.64Å; W275-F393 HydrophobicContact CG-CD1 3.64Å; W275-F393 AromaticContact CG-CE1 3.77Å; W275-F393 HydrophobicContact CG-CE1 3.77Å; W275-F393 HydrophobicContact CH2-CB 4.05Å; W275-F393 HydrophobicContact CZ2-CB 4.1Å; W275-F393 HydrophobicContact CZ2-CD1 4.33Å; W275-F393 HydrophobicContact CZ3-CB 4.24Å; W275-F393 HydrophobicContact CZ3-CD1 4.18Å; W275-F393 HydrophobicContact CZ3-CG 4.49Å; W275-D396 HydrophobicContact CZ2-CB 4.28Å; W275-D396 WeakPolarHBondContact CZ2-OD2 3.35Å; W275-D396 PolarHBondContact NE1-OD2 3.36Å; W275-D396 VanDerWaalsContact NE1-OD2 3.15Å; W275-I397 HydrophobicContact CH2-CD1 3.9Å; W275-I397 HydrophobicContact CH2-CG1 3.87Å; W275-I397 HydrophobicContact CZ2-CG1 4.06Å
276R95.3Very high96.9Very high189 Ų18931.8 Ų31.871%0.71316%0.158SC*.Hα-helixtrans-90.8-25.8-173.2-68.3178.3179168.81.2114.9A272 A273 L274A272-R276 WeakPolarHBondContact O-CB 3.37Å; A272-R276 VanDerWaalsContact O-CG 3.29Å; A272-R276 WeakPolarHBondContact O-CG 3.42Å; A272-R276 PolarHBondContact O-N 3.39Å; A273-R276 PolarHBondContact O-N 3Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.34Å
277S95.8Very high96.9Very high57 Ų5731.1 Ų31.140%0.39915%0.154SC..Hα-helixtrans-134.7-5.8-163.4-62.30000114.9A273 K358A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 3.18Å; S277-K358 WeakPolarHBondContact O-CG 3.31Å
278Y97.7Very high96.9Very high27 Ų2729.7 Ų29.711%0.10615%0.145CC..  trans-130.792.6-176.9-65.2-88.5000110V220 L224 W256 A273 L274 T280 G281 H282 P357 K358V220-Y278 HydrophobicContact CB-CE2 4.5Å; V220-Y278 HydrophobicContact CG1-CD1 4.48Å; V220-Y278 HydrophobicContact CG1-CD2 4.16Å; V220-Y278 HydrophobicContact CG1-CE1 4.03Å; V220-Y278 HydrophobicContact CG1-CE2 3.68Å; L224-Y278 HydrophobicContact CD1-CD1 4.19Å; L224-Y278 HydrophobicContact CD1-CE1 3.96Å; W256-Y278 HydrophobicContact CH2-CD1 4Å; W256-Y278 HydrophobicContact CH2-CG 4.32Å; A273-Y278 HydrophobicContact CB-CE2 4.47Å; A273-Y278 WeakPolarHBondContact O-CD2 3.35Å; L274-Y278 HydrophobicContact CD2-CD2 4.09Å; L274-Y278 HydrophobicContact CD2-CG 4.19Å; L274-Y278 CarbonylContact O-C 3.57Å; L274-Y278 PolarHBondContact O-N 3.46Å; L274-Y278 VanDerWaalsContact O-N 3.1Å; L274-Y278 VanDerWaalsContact O-O 3.09Å; Y278-T280 VanDerWaalsContact C-N 3.34Å; Y278-T280 PolarHBondContact O-N 3.37Å; Y278-G281 CarbonylContact O-C 3.57Å; Y278-G281 WeakPolarHBondContact O-CA 3.39Å; Y278-G281 PolarHBondContact O-N 3.01Å; Y278-H282 PolarHBondContact O-N 3.48Å; Y278-P357 HydrophobicContact CD1-CB 4Å; Y278-P357 WeakPolarHBondContact CD1-O 3.28Å; Y278-P357 HydrophobicContact CE1-CB 4.12Å; Y278-P357 HydrophobicContact CE1-CG 4.5Å; Y278-K358 HydrophobicContact CD1-CG 4.22Å; Y278-K358 HydrophobicContact CE1-CG 4.03Å
279P96.3Very high96.8Very high41 Ų4123 Ų2327%0.26611%0.114SC..Hα-helixtrans-55.3-41.5-172.9-32.641.6000114.6G281 H282 Y283 G359 A361P279-G281 PolarHBondContact O-N 2.93Å; P279-H282 WeakPolarHBondContact O-CB 3.28Å; P279-H282 PolarHBondContact O-N 2.93Å; P279-Y283 WeakPolarHBondContact O-CD1 3.26Å; P279-Y283 PolarHBondContact O-N 2.99Å; P279-G359 VanDerWaalsContact CG-O 3.28Å; P279-G359 WeakPolarHBondContact CG-O 3.37Å; P279-A361 HydrophobicContact CB-CB 3.8Å
280T97.3Very high96.6Very high1 Ų120.7 Ų20.71%0.00610%0.1CC..Hα-helixtrans-59.6-46.7173.3-52.70000111.5W253 W256 Y278 Y283 L284 R362W253-T280 HydrophobicContact CH2-CG2 4.28Å; W253-T280 HydrophobicContact CZ3-CG2 3.94Å; W256-T280 HydrophobicContact CD2-CG2 4.23Å; W256-T280 HydrophobicContact CZ2-CG2 4.28Å; Y278-T280 VanDerWaalsContact C-N 3.34Å; Y278-T280 PolarHBondContact O-N 3.37Å; T280-Y283 PolarHBondContact O-N 3.2Å; T280-L284 HydrophobicContact CG2-CD1 4.24Å; T280-L284 WeakPolarHBondContact O-CB 3.36Å; T280-L284 VanDerWaalsContact O-CG 3.25Å; T280-L284 WeakPolarHBondContact O-CG 3.43Å; T280-L284 PolarHBondContact O-N 3.49Å; T280-R362 PolarHBondContact OG1-N 2.72Å; T280-R362 VanDerWaalsContact OG1-N 3.12Å
281G97.4Very high96.3Very high0 Ų023 Ų230%011%0.11CC..Hα-helixtrans-62.5-42.4177.400000112.8Y278 P279 L284 M285Y278-G281 CarbonylContact O-C 3.57Å; Y278-G281 WeakPolarHBondContact O-CA 3.39Å; Y278-G281 PolarHBondContact O-N 3.01Å; P279-G281 PolarHBondContact O-N 2.93Å; G281-L284 PolarHBondContact O-N 3.06Å; G281-M285 VanDerWaalsContact O-CG 3.3Å; G281-M285 WeakPolarHBondContact O-CG 3.34Å; G281-M285 PolarHBondContact O-N 2.9Å
282H97.4Very high96Very high22 Ų2226.7 Ų26.710%0.10213%0.128CC..Hα-helixtrans-56.1-51.1173.7179.392.4000111.5W275 Y278 P279 L284 M285 E286 R400W275-H282 AromaticContact CD1-ND1 3.94Å; W275-H282 AromaticContact CD2-CE1 3.54Å; W275-H282 AromaticContact CD2-ND1 3.31Å; W275-H282 VanDerWaalsContact CD2-ND1 3.31Å; W275-H282 AromaticContact CE2-CE1 3.28Å; W275-H282 AromaticContact CE2-ND1 3.59Å; W275-H282 AromaticContact CE3-CE1 3.9Å; W275-H282 AromaticContact CE3-ND1 3.6Å; W275-H282 AromaticContact CG-ND1 3.63Å; W275-H282 AromaticContact CH2-CE1 3.8Å; W275-H282 AromaticContact CZ2-CE1 3.47Å; W275-H282 VanDerWaalsContact CZ2-CE1 3.47Å; W275-H282 WeakPolarHBondContact CZ2-CE1 3.46Å; W275-H282 AromaticContact NE1-CE1 3.66Å; W275-H282 AromaticContact NE1-ND1 3.91Å; W275-H282 PolarHBondContact O-ND1 3.33Å; W275-H282 VanDerWaalsContact O-ND1 3.13Å; Y278-H282 PolarHBondContact O-N 3.48Å; P279-H282 WeakPolarHBondContact O-CB 3.28Å; P279-H282 PolarHBondContact O-N 2.93Å; H282-L284 VanDerWaalsContact C-N 3.34Å; H282-L284 PolarHBondContact O-N 3.3Å; H282-M285 PolarHBondContact O-N 3.28Å; H282-E286 IonicContact CD2-OE2 3.06Å; H282-E286 IonicContact CE1-OE2 3.98Å; H282-E286 IonicContact NE2-OE2 3.83Å; H282-E286 PolarHBondContact NE2-OE2 3.49Å; H282-E286 WeakPolarHBondContact O-CB 3.45Å; H282-E286 PolarHBondContact O-N 3.48Å; H282-R400 PolarHBondContact NE2-NH2 3.38Å
283Y97.2Very high95.9Very high39 Ų3928.1 Ų28.115%0.15313%0.132CC..Hα-helixtrans-64-41.4-177.6-79.338.5000111P279 T280 E286 M287 F295 P296 P297 V300 F310 A361P279-Y283 WeakPolarHBondContact O-CD1 3.26Å; P279-Y283 PolarHBondContact O-N 2.99Å; T280-Y283 PolarHBondContact O-N 3.2Å; Y283-E286 PolarHBondContact O-N 3.21Å; Y283-M287 WeakPolarHBondContact O-CG 3.48Å; Y283-M287 PolarHBondContact O-N 3.12Å; Y283-F295 HydrophobicContact CD2-CD2 4.43Å; Y283-F295 AromaticContact CD2-CE2 3.65Å; Y283-F295 HydrophobicContact CD2-CE2 3.65Å; Y283-F295 AromaticContact CD2-CZ 3.79Å; Y283-F295 HydrophobicContact CD2-CZ 3.79Å; Y283-F295 HydrophobicContact CG-CE2 4.13Å; Y283-P296 HydrophobicContact CD2-CB 4.05Å; Y283-P296 HydrophobicContact CE2-CB 3.86Å; Y283-P297 VanDerWaalsContact CD2-CD 3.45Å; Y283-P297 HydrophobicContact CD2-CG 4.35Å; Y283-P297 HydrophobicContact CG-CG 4.34Å; Y283-P297 WeakPolarHBondContact O-CG 3.34Å; Y283-V300 HydrophobicContact CD1-CG2 4.36Å; Y283-V300 HydrophobicContact CE1-CB 4.48Å; Y283-V300 HydrophobicContact CE1-CG1 3.78Å; Y283-V300 HydrophobicContact CE1-CG2 4.21Å; Y283-V300 HydrophobicContact CE2-CG1 4.22Å; Y283-V300 VanDerWaalsContact OH-CG1 3.28Å; Y283-V300 WeakPolarHBondContact OH-CG1 3.46Å; Y283-F310 AromaticContact CE2-CE2 3.89Å; Y283-F310 HydrophobicContact CE2-CE2 3.89Å; Y283-F310 HydrophobicContact CE2-CZ 4.44Å; Y283-A361 HydrophobicContact CD1-CB 4.17Å; Y283-A361 HydrophobicContact CD2-CB 3.9Å; Y283-A361 HydrophobicContact CE1-CB 4.14Å; Y283-A361 HydrophobicContact CE2-CB 3.84Å; Y283-A361 HydrophobicContact CG-CB 4.08Å
284L98.1Very high95.6Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-64.6-40.9176.5-71180000112.5W256 I260 T280 G281 H282 E286 M287 V288 P364 I372W256-L284 HydrophobicContact CB-CD1 4.01Å; W256-L284 HydrophobicContact CG-CD1 4.4Å; I260-L284 HydrophobicContact CD1-CB 3.56Å; I260-L284 HydrophobicContact CD1-CD1 4.48Å; I260-L284 HydrophobicContact CG1-CB 3.95Å; I260-L284 HydrophobicContact CG1-CD1 4.22Å; T280-L284 HydrophobicContact CG2-CD1 4.24Å; T280-L284 WeakPolarHBondContact O-CB 3.36Å; T280-L284 VanDerWaalsContact O-CG 3.25Å; T280-L284 WeakPolarHBondContact O-CG 3.43Å; T280-L284 PolarHBondContact O-N 3.49Å; G281-L284 PolarHBondContact O-N 3.06Å; H282-L284 VanDerWaalsContact C-N 3.34Å; H282-L284 PolarHBondContact O-N 3.3Å; L284-E286 VanDerWaalsContact C-N 3.32Å; L284-M287 HydrophobicContact CD2-SD 3.89Å; L284-M287 PolarHBondContact O-N 2.83Å; L284-V288 WeakPolarHBondContact O-CG2 3.46Å; L284-V288 PolarHBondContact O-N 3.48Å; L284-P364 HydrophobicContact CD2-CG 3.68Å; L284-I372 HydrophobicContact CD1-CD1 4.14Å; L284-I372 HydrophobicContact CD2-CD1 3.64Å; L284-I372 HydrophobicContact CG-CD1 4.37Å
285M97.9Very high95.4Very high0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-62.6-41.9173.5-71.817665.500111I260 L274 W275 G281 H282 V288 I289 F385 F393I260-M285 HydrophobicContact CD1-CB 4.45Å; I260-M285 HydrophobicContact CD1-CG 3.51Å; L274-M285 HydrophobicContact CB-SD 3.66Å; L274-M285 HydrophobicContact CD1-SD 4.1Å; W275-M285 HydrophobicContact CE3-CB 3.94Å; W275-M285 HydrophobicContact CE3-CE 3.82Å; W275-M285 HydrophobicContact CE3-SD 4.06Å; W275-M285 HydrophobicContact CZ3-CB 3.74Å; W275-M285 HydrophobicContact CZ3-CE 4.41Å; G281-M285 VanDerWaalsContact O-CG 3.3Å; G281-M285 WeakPolarHBondContact O-CG 3.34Å; G281-M285 PolarHBondContact O-N 2.9Å; H282-M285 PolarHBondContact O-N 3.28Å; M285-V288 WeakPolarHBondContact O-CB 3.5Å; M285-V288 PolarHBondContact O-N 2.71Å; M285-V288 VanDerWaalsContact O-N 3.13Å; M285-I289 WeakPolarHBondContact O-CG1 3.39Å; M285-I289 PolarHBondContact O-N 3Å; M285-F385 HydrophobicContact CE-CD1 3.98Å; M285-F385 HydrophobicContact CE-CE1 3.76Å; M285-F385 HydrophobicContact CE-CZ 4.36Å; M285-F385 HydrophobicContact CG-CE1 4.47Å; M285-F385 HydrophobicContact CG-CZ 4.15Å; M285-F393 HydrophobicContact CE-CD1 3.98Å; M285-F393 HydrophobicContact CE-CD2 4.23Å; M285-F393 HydrophobicContact CE-CE1 3.57Å; M285-F393 HydrophobicContact CE-CE2 3.89Å; M285-F393 HydrophobicContact CE-CG 4.28Å; M285-F393 HydrophobicContact CE-CZ 3.55Å
286E95.6Very high95.2Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-65.2-39.8179.2-165.8158.4155.600112.1W275 H282 Y283 L284 V288 I289 V290 P297 T299 V300 I397 R400W275-E286 HydrophobicContact CH2-CB 4.36Å; W275-E286 HydrophobicContact CZ3-CB 4.42Å; H282-E286 IonicContact CD2-OE2 3.06Å; H282-E286 IonicContact CE1-OE2 3.98Å; H282-E286 IonicContact NE2-OE2 3.83Å; H282-E286 PolarHBondContact NE2-OE2 3.49Å; H282-E286 WeakPolarHBondContact O-CB 3.45Å; H282-E286 PolarHBondContact O-N 3.48Å; Y283-E286 PolarHBondContact O-N 3.21Å; L284-E286 VanDerWaalsContact C-N 3.32Å; E286-V288 PolarHBondContact O-N 3.26Å; E286-I289 PolarHBondContact O-N 3.17Å; E286-V290 HydrophobicContact CG-CG2 4.36Å; E286-V290 WeakPolarHBondContact O-CB 3.28Å; E286-V290 WeakPolarHBondContact O-CG2 3.47Å; E286-V290 PolarHBondContact O-N 3.11Å; E286-P297 HydrophobicContact CB-CG 4.28Å; E286-P297 HydrophobicContact CG-CB 4.32Å; E286-T299 VanDerWaalsContact CD-OG1 3.29Å; E286-T299 WeakPolarHBondContact CG-OG1 3.31Å; E286-T299 WeakPolarHBondContact OE1-CB 3.37Å; E286-T299 PolarHBondContact OE1-OG1 2.8Å; E286-V300 VanDerWaalsContact CD-CG2 3.41Å; E286-V300 HydrophobicContact CG-CG2 4.44Å; E286-V300 VanDerWaalsContact OE1-CG2 3.23Å; E286-V300 WeakPolarHBondContact OE1-CG2 3.46Å; E286-V300 WeakPolarHBondContact OE2-CG2 3.47Å; E286-I397 HydrophobicContact CG-CD1 3.9Å; E286-I397 HydrophobicContact CG-CG1 4.07Å; E286-R400 IonicContact OE1-CZ 3.52Å; E286-R400 IonicContact OE1-NH1 2.8Å; E286-R400 PolarHBondContact OE1-NH1 3.16Å; E286-R400 IonicContact OE1-NH2 3.69Å; E286-R400 IonicContact OE2-CZ 3.07Å; E286-R400 IonicContact OE2-NH1 3.8Å; E286-R400 PolarHBondContact OE2-NH1 3.41Å; E286-R400 IonicContact OE2-NH2 3.59Å; E286-R400 PolarHBondContact OE2-NH2 3.48Å
287M95.8Very high95Very high1 Ų122.6 Ų22.61%0.00512%0.12CC..Hα-helixtrans-56.1-39.2170.5-68.2167.267.100112.2Y283 L284 E291 Q292 F293 F295 P297 I369Y283-M287 WeakPolarHBondContact O-CG 3.48Å; Y283-M287 PolarHBondContact O-N 3.12Å; L284-M287 HydrophobicContact CD2-SD 3.89Å; L284-M287 PolarHBondContact O-N 2.83Å; M287-E291 VanDerWaalsContact O-CA 3.28Å; M287-E291 WeakPolarHBondContact O-CA 3.49Å; M287-E291 PolarHBondContact O-N 2.84Å; M287-Q292 PolarHBondContact O-N 2.74Å; M287-F293 HydrophobicContact CE-CB 4.26Å; M287-F293 HydrophobicContact CE-CD1 4.48Å; M287-F295 HydrophobicContact SD-CB 4.35Å; M287-F295 HydrophobicContact SD-CD2 3.97Å; M287-P297 HydrophobicContact CG-CG 3.92Å; M287-I369 HydrophobicContact CE-CD1 4.42Å; M287-I369 HydrophobicContact CE-CG1 4.27Å; M287-I369 HydrophobicContact CE-CG2 3.84Å
288V96Very high94.6Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-72.5-42.2179.8175.70000111.7I260 L284 M285 E286 E291 F293 I372 L381 R382 F385I260-V288 HydrophobicContact CG2-CG2 4.27Å; L284-V288 WeakPolarHBondContact O-CG2 3.46Å; L284-V288 PolarHBondContact O-N 3.48Å; M285-V288 WeakPolarHBondContact O-CB 3.5Å; M285-V288 PolarHBondContact O-N 2.71Å; M285-V288 VanDerWaalsContact O-N 3.13Å; E286-V288 PolarHBondContact O-N 3.26Å; V288-E291 PolarHBondContact O-N 2.77Å; V288-F293 HydrophobicContact CG2-CE1 4.31Å; V288-I372 HydrophobicContact CG2-CG2 3.7Å; V288-L381 HydrophobicContact CG1-CB 3.64Å; V288-R382 WeakPolarHBondContact O-CG 3.39Å; V288-F385 HydrophobicContact CB-CD2 4.05Å; V288-F385 HydrophobicContact CB-CE2 3.94Å; V288-F385 HydrophobicContact CG1-CD2 3.61Å; V288-F385 HydrophobicContact CG1-CE2 3.66Å; V288-F385 HydrophobicContact CG2-CE2 4.45Å
289I93.5Very high94.1Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-63.7-46.4179.9-69.3162.1000110.9W275 M285 E286 E291 R382 F385 F393 L394 I397 W409W275-I289 HydrophobicContact CH2-CD1 3.87Å; W275-I289 HydrophobicContact CZ3-CD1 3.85Å; M285-I289 WeakPolarHBondContact O-CG1 3.39Å; M285-I289 PolarHBondContact O-N 3Å; E286-I289 PolarHBondContact O-N 3.17Å; I289-E291 VanDerWaalsContact C-N 3.27Å; I289-R382 PolarHBondContact O-NE 2.8Å; I289-F385 HydrophobicContact CD1-CB 4.01Å; I289-F385 HydrophobicContact CG1-CB 3.51Å; I289-F385 HydrophobicContact CG1-CD2 4.17Å; I289-F385 HydrophobicContact CG1-CG 4.16Å; I289-F393 HydrophobicContact CD1-CB 3.61Å; I289-F393 HydrophobicContact CD1-CG 4.45Å; I289-L394 HydrophobicContact CG2-CD1 3.9Å; I289-I397 HydrophobicContact CB-CD1 3.91Å; I289-I397 HydrophobicContact CD1-CD1 3.78Å; I289-I397 HydrophobicContact CG1-CD1 4.45Å; I289-I397 HydrophobicContact CG2-CD1 3.5Å; I289-I397 VanDerWaalsContact CG2-CD1 3.5Å; I289-W409 HydrophobicContact CG2-CZ3 4.26Å
290V91.4Very high93.7Very high4 Ų422.2 Ų22.22%0.02411%0.111CC..Hα-helixtrans-80.1-14.8-178.6-175.20000111.7E286 Q292 F298 T299 I397 W409E286-V290 HydrophobicContact CG-CG2 4.36Å; E286-V290 WeakPolarHBondContact O-CB 3.28Å; E286-V290 WeakPolarHBondContact O-CG2 3.47Å; E286-V290 PolarHBondContact O-N 3.11Å; V290-Q292 HydrophobicContact CG1-CB 4.39Å; V290-Q292 HydrophobicContact CG1-CG 4.2Å; V290-Q292 PolarHBondContact O-N 3.47Å; V290-F298 HydrophobicContact CG1-CE1 3.38Å; V290-F298 HydrophobicContact CG1-CZ 3.56Å; V290-T299 HydrophobicContact CB-CG2 4.48Å; V290-T299 HydrophobicContact CG1-CG2 4.04Å; V290-T299 HydrophobicContact CG2-CG2 3.68Å; V290-I397 HydrophobicContact CG2-CD1 4.43Å; V290-W409 HydrophobicContact CB-CD2 4.43Å; V290-W409 HydrophobicContact CB-CE3 4.3Å; V290-W409 HydrophobicContact CG1-CB 3.88Å; V290-W409 HydrophobicContact CG1-CD2 3.82Å; V290-W409 HydrophobicContact CG1-CE3 4.1Å; V290-W409 HydrophobicContact CG1-CG 3.72Å; V290-W409 HydrophobicContact CG2-CD2 4.25Å; V290-W409 HydrophobicContact CG2-CE3 4.18Å; V290-W409 HydrophobicContact CG2-CH2 4.34Å; V290-W409 HydrophobicContact CG2-CZ2 4.41Å; V290-W409 HydrophobicContact CG2-CZ3 4.2Å
291E91.9Very high93Very high47 Ų4723 Ų2322%0.2212%0.116CC..THydrogen-bonded Turntrans56.133.2-176.6-150.8-177.217500113.8M287 V288 I289 F293 R382 Q416M287-E291 VanDerWaalsContact O-CA 3.28Å; M287-E291 WeakPolarHBondContact O-CA 3.49Å; M287-E291 PolarHBondContact O-N 2.84Å; V288-E291 PolarHBondContact O-N 2.77Å; I289-E291 VanDerWaalsContact C-N 3.27Å; E291-F293 HydrophobicContact CG-CE2 3.85Å; E291-F293 HydrophobicContact CG-CZ 4.19Å; E291-R382 IonicContact OE2-CZ 2.63Å; E291-R382 IonicContact OE2-NE 2.82Å; E291-R382 IonicContact OE2-NH1 2.7Å; E291-R382 PolarHBondContact OE2-NH1 2.77Å; E291-Q416 PolarHBondContact OE2-NE2 3.35Å; E291-Q416 PolarHBondContact OE2-OE1 2.8Å
292Q91.4Very high91.6Very high79 Ų7926.7 Ų26.737%0.36914%0.141SC..  trans-117.2104.7172.2-67.9-167.418.100109.1M287 V290 T294 F298M287-Q292 PolarHBondContact O-N 2.74Å; V290-Q292 HydrophobicContact CG1-CB 4.39Å; V290-Q292 HydrophobicContact CG1-CG 4.2Å; V290-Q292 PolarHBondContact O-N 3.47Å; Q292-T294 PolarHBondContact O-N 3.46Å; Q292-F298 HydrophobicContact CB-CE1 4.18Å; Q292-F298 HydrophobicContact CG-CE1 4.05Å
293F94.6Very high90.2Very high41 Ų4127.9 Ų27.918%0.1816%0.16CC..  trans-84.653.8-175.3-58.6-77.6000111.6M287 V288 E291 I369 I372 S373M287-F293 HydrophobicContact CE-CB 4.26Å; M287-F293 HydrophobicContact CE-CD1 4.48Å; V288-F293 HydrophobicContact CG2-CE1 4.31Å; E291-F293 HydrophobicContact CG-CE2 3.85Å; E291-F293 HydrophobicContact CG-CZ 4.19Å; F293-I369 HydrophobicContact CB-CG2 3.7Å; F293-I369 VanDerWaalsContact O-CG2 3.23Å; F293-I369 WeakPolarHBondContact O-CG2 3.44Å; F293-I372 HydrophobicContact CD1-CG2 4.39Å; F293-I372 HydrophobicContact CE1-CG2 4.12Å; F293-S373 WeakPolarHBondContact CD2-OG 3.47Å; F293-S373 VanDerWaalsContact CE1-CA 3.5Å; F293-S373 WeakPolarHBondContact CE2-OG 3.33Å
294T92Very high88.6Confident79 Ų7934.5 Ų34.549%0.48519%0.192SC..  trans-121.5136.7175.551.40000108.9Q292 P296Q292-T294 PolarHBondContact O-N 3.46Å; T294-P296 CarbonylContact O-C 3.57Å
295F92.8Very high86.8Confident19 Ų1943 Ų438%0.08323%0.231CC..SBendtrans-117.3136-177.8-171.3-84.8000110.3Y283 M287 F310 W311 A361 R362 C363 P364 I369Y283-F295 HydrophobicContact CD2-CD2 4.43Å; Y283-F295 AromaticContact CD2-CE2 3.65Å; Y283-F295 HydrophobicContact CD2-CE2 3.65Å; Y283-F295 AromaticContact CD2-CZ 3.79Å; Y283-F295 HydrophobicContact CD2-CZ 3.79Å; Y283-F295 HydrophobicContact CG-CE2 4.13Å; M287-F295 HydrophobicContact SD-CB 4.35Å; M287-F295 HydrophobicContact SD-CD2 3.97Å; F295-F310 HydrophobicContact CD1-CE1 4.24Å; F295-F310 HydrophobicContact CD1-CZ 4.35Å; F295-F310 AromaticContact CE1-CE1 3.67Å; F295-F310 HydrophobicContact CE1-CE1 3.67Å; F295-F310 AromaticContact CE1-CZ 3.4Å; F295-F310 HydrophobicContact CE1-CZ 3.4Å; F295-F310 VanDerWaalsContact CE1-CZ 3.4Å; F295-F310 AromaticContact CZ-CZ 3.9Å; F295-F310 HydrophobicContact CZ-CZ 3.9Å; F295-W311 VanDerWaalsContact O-CZ2 3.3Å; F295-W311 WeakPolarHBondContact O-CZ2 3.42Å; F295-A361 HydrophobicContact CZ-CB 4.3Å; F295-R362 WeakPolarHBondContact CZ-O 3.34Å; F295-C363 HydrophobicContact CD1-CB 3.76Å; F295-C363 HydrophobicContact CE1-CB 3.75Å; F295-P364 HydrophobicContact CD2-CG 4.31Å; F295-I369 HydrophobicContact CB-CD1 4.27Å
296P93.1Very high85.9Confident16 Ų1645.8 Ų45.810%0.10425%0.249CC..SBendcis-67.6159-9.131.8-37000111.7Y283 T294 F298 V301 F310Y283-P296 HydrophobicContact CD2-CB 4.05Å; Y283-P296 HydrophobicContact CE2-CB 3.86Å; T294-P296 CarbonylContact O-C 3.57Å; P296-F298 PolarHBondContact O-N 2.74Å; P296-V301 HydrophobicContact CB-CG2 3.79Å; P296-V301 HydrophobicContact CG-CB 4.29Å; P296-V301 HydrophobicContact CG-CG2 3.74Å; P296-F310 HydrophobicContact CB-CD1 4.21Å; P296-F310 HydrophobicContact CB-CE1 4.1Å; P296-F310 HydrophobicContact CB-CE2 4.4Å; P296-F310 HydrophobicContact CB-CG 4.43Å; P296-F310 HydrophobicContact CB-CZ 4.22Å; P296-F310 HydrophobicContact CG-CD1 3.66Å; P296-F310 HydrophobicContact CG-CE1 3.96Å; P296-F310 HydrophobicContact CG-CG 4Å
297P91.4Very high85.3Confident2 Ų247.1 Ų47.11%0.01326%0.26CS..  trans-60.7133.1175.4-15.526.6000110.8Y283 E286 M287 T299 V300 V301Y283-P297 VanDerWaalsContact CD2-CD 3.45Å; Y283-P297 HydrophobicContact CD2-CG 4.35Å; Y283-P297 HydrophobicContact CG-CG 4.34Å; Y283-P297 WeakPolarHBondContact O-CG 3.34Å; E286-P297 HydrophobicContact CB-CG 4.28Å; E286-P297 HydrophobicContact CG-CB 4.32Å; M287-P297 HydrophobicContact CG-CG 3.92Å; P297-T299 PolarHBondContact O-N 3.35Å; P297-T299 VanDerWaalsContact O-N 3.08Å; P297-V300 HydrophobicContact CB-CG2 4.12Å; P297-V300 HydrophobicContact CG-CG2 4.07Å; P297-V300 PolarHBondContact O-N 3.17Å; P297-V301 PolarHBondContact O-N 3.01Å; P297-V301 VanDerWaalsContact O-N 3.15Å
298F87.4Confident84.9Confident72 Ų7249.5 Ų49.532%0.31628%0.279SS..THydrogen-bonded Turntrans-60.4-20.7176.974.5-84.3000112.7V290 Q292 P296 V300 V301 W409V290-F298 HydrophobicContact CG1-CE1 3.38Å; V290-F298 HydrophobicContact CG1-CZ 3.56Å; Q292-F298 HydrophobicContact CB-CE1 4.18Å; Q292-F298 HydrophobicContact CG-CE1 4.05Å; P296-F298 PolarHBondContact O-N 2.74Å; F298-V300 VanDerWaalsContact C-N 3.34Å; F298-V301 CarbonylContact O-C 3.45Å; F298-W409 HydrophobicContact CZ-CB 4.42Å; F298-W409 AromaticContact CZ-CD1 3.65Å; F298-W409 HydrophobicContact CZ-CG 4.18Å
299T87.7Confident84.5Confident4 Ų452.2 Ų52.23%0.02530%0.299CS..THydrogen-bonded Turntrans-74.7-22.6176.354.40000113.7E286 V290 P297 I397 Q401E286-T299 VanDerWaalsContact CD-OG1 3.29Å; E286-T299 WeakPolarHBondContact CG-OG1 3.31Å; E286-T299 WeakPolarHBondContact OE1-CB 3.37Å; E286-T299 PolarHBondContact OE1-OG1 2.8Å; V290-T299 HydrophobicContact CB-CG2 4.48Å; V290-T299 HydrophobicContact CG1-CG2 4.04Å; V290-T299 HydrophobicContact CG2-CG2 3.68Å; P297-T299 PolarHBondContact O-N 3.35Å; P297-T299 VanDerWaalsContact O-N 3.08Å; T299-I397 HydrophobicContact CG2-CG2 4.23Å; T299-Q401 VanDerWaalsContact CA-NE2 3.34Å
300V86.9Confident84.4Confident40 Ų4053.5 Ų53.524%0.24230%0.304CS..THydrogen-bonded Turntrans-90.2-37.6172.4-175.30000111Y283 E286 P297 F298Y283-V300 HydrophobicContact CD1-CG2 4.36Å; Y283-V300 HydrophobicContact CE1-CB 4.48Å; Y283-V300 HydrophobicContact CE1-CG1 3.78Å; Y283-V300 HydrophobicContact CE1-CG2 4.21Å; Y283-V300 HydrophobicContact CE2-CG1 4.22Å; Y283-V300 VanDerWaalsContact OH-CG1 3.28Å; Y283-V300 WeakPolarHBondContact OH-CG1 3.46Å; E286-V300 VanDerWaalsContact CD-CG2 3.41Å; E286-V300 HydrophobicContact CG-CG2 4.44Å; E286-V300 VanDerWaalsContact OE1-CG2 3.23Å; E286-V300 WeakPolarHBondContact OE1-CG2 3.46Å; E286-V300 WeakPolarHBondContact OE2-CG2 3.47Å; P297-V300 HydrophobicContact CB-CG2 4.12Å; P297-V300 HydrophobicContact CG-CG2 4.07Å; P297-V300 PolarHBondContact O-N 3.17Å; F298-V300 VanDerWaalsContact C-N 3.34Å
301V83.1Confident84.4Confident18 Ų1858.7 Ų58.711%0.10932%0.323CS..SBendtrans-114.176.8-172.5-167.70000109.5P296 P297 F298 G303 T306 A307P296-V301 HydrophobicContact CB-CG2 3.79Å; P296-V301 HydrophobicContact CG-CB 4.29Å; P296-V301 HydrophobicContact CG-CG2 3.74Å; P297-V301 PolarHBondContact O-N 3.01Å; P297-V301 VanDerWaalsContact O-N 3.15Å; F298-V301 CarbonylContact O-C 3.45Å; V301-G303 PolarHBondContact O-N 3.34Å; V301-T306 WeakPolarHBondContact CG1-O 3.13Å; V301-T306 WeakPolarHBondContact CG1-OG1 3.41Å; V301-A307 HydrophobicContact CG1-CB 3.89Å
302S69.5Low84.5Confident77 Ų7761.3 Ų61.354%0.53834%0.339SS..  trans-79.8101179.7360000110.5T306S302-T306 VanDerWaalsContact C-OG1 3.26Å; S302-T306 PolarHBondContact O-OG1 3.21Å
303G66.4Low84.6Confident47 Ų4761.4 Ų61.449%0.48534%0.341SS..SBendtrans116.8153.7173.400000115.2V301 Q305 T306 A307V301-G303 PolarHBondContact O-N 3.34Å; G303-Q305 VanDerWaalsContact C-N 3.29Å; G303-Q305 PolarHBondContact O-N 3.12Å; G303-T306 PolarHBondContact O-N 3.02Å; G303-T306 PolarHBondContact O-OG1 2.87Å; G303-A307 PolarHBondContact O-N 3.36Å; G303-A307 VanDerWaalsContact O-N 3.09Å
304E64.9Low84.6Confident179 Ų17960.2 Ų60.284%0.83634%0.336SS*.Hα-helixtrans-62-35.7-177.7-68.8-178.2170.900112.8A307 A308E304-A307 PolarHBondContact O-N 2.74Å; E304-A308 WeakPolarHBondContact O-CB 3.25Å; E304-A308 PolarHBondContact O-N 3.18Å
305Q58.6Low84.7Confident177 Ų17763.1 Ų63.183%0.82734%0.344SS*.Hα-helixtrans-69.3-40.8-178.8-65.8-178.99.800112.4G303 A307 S309G303-Q305 VanDerWaalsContact C-N 3.29Å; G303-Q305 PolarHBondContact O-N 3.12Å; Q305-A307 VanDerWaalsContact C-N 3.34Å; Q305-S309 WeakPolarHBondContact O-CB 3.28Å; Q305-S309 PolarHBondContact O-N 3.03Å
306T79.8Confident84.9Confident60 Ų6068.7 Ų68.737%0.36837%0.371SS..Hα-helixtrans-69.6-36.5176.749.30000110.1V301 S302 G303 S309 F310V301-T306 WeakPolarHBondContact CG1-O 3.13Å; V301-T306 WeakPolarHBondContact CG1-OG1 3.41Å; S302-T306 VanDerWaalsContact C-OG1 3.26Å; S302-T306 PolarHBondContact O-OG1 3.21Å; G303-T306 PolarHBondContact O-N 3.02Å; G303-T306 PolarHBondContact O-OG1 2.87Å; T306-S309 WeakPolarHBondContact CA-OG 3.48Å; T306-S309 PolarHBondContact O-N 3.33Å; T306-S309 PolarHBondContact O-OG 3.14Å; T306-F310 PolarHBondContact O-N 3.32Å
307A83.1Confident84.9Confident28 Ų2868.9 Ų68.923%0.23137%0.373CS..Hα-helixtrans-63.6-47.7174.100000112.6V301 G303 E304 Q305 S309 F310 W311V301-A307 HydrophobicContact CG1-CB 3.89Å; G303-A307 PolarHBondContact O-N 3.36Å; G303-A307 VanDerWaalsContact O-N 3.09Å; E304-A307 PolarHBondContact O-N 2.74Å; Q305-A307 VanDerWaalsContact C-N 3.34Å; A307-S309 VanDerWaalsContact C-N 3.29Å; A307-S309 PolarHBondContact O-N 3.39Å; A307-F310 WeakPolarHBondContact O-CB 3.48Å; A307-F310 PolarHBondContact O-N 3.47Å; A307-W311 PolarHBondContact O-N 3.46Å; A307-W311 VanDerWaalsContact O-N 3.11Å
308A86.6Confident85.1Confident50 Ų5071 Ų7141%0.41339%0.387SS..Hα-helixtrans-59.8-41.3175.400000111.7E304 F310 W311 N312E304-A308 WeakPolarHBondContact O-CB 3.25Å; E304-A308 PolarHBondContact O-N 3.18Å; A308-F310 VanDerWaalsContact C-N 3.33Å; A308-F310 PolarHBondContact O-N 2.69Å; A308-W311 PolarHBondContact O-N 3.33Å; A308-N312 PolarHBondContact O-N 3.38Å; A308-N312 PolarHBondContact O-ND2 2.91Å; A308-N312 PolarHBondContact O-OD1 3.42Å
309S88.1Confident85.5Confident58 Ų5871.3 Ų71.341%0.40639%0.389SS..Hα-helixtrans-62.9-38.4177.476.50000112.9Q305 T306 A307 I313Q305-S309 WeakPolarHBondContact O-CB 3.28Å; Q305-S309 PolarHBondContact O-N 3.03Å; T306-S309 WeakPolarHBondContact CA-OG 3.48Å; T306-S309 PolarHBondContact O-N 3.33Å; T306-S309 PolarHBondContact O-OG 3.14Å; A307-S309 VanDerWaalsContact C-N 3.29Å; A307-S309 PolarHBondContact O-N 3.39Å; S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.31Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 2.9Å
310F91.1Very high85.8Confident26 Ų2672.9 Ų72.911%0.11440%0.398CS..Hα-helixtrans-63-48.1176.4178.7-89.8000111.4Y283 F295 P296 T306 A307 A308 N312 I313 E314 A361Y283-F310 AromaticContact CE2-CE2 3.89Å; Y283-F310 HydrophobicContact CE2-CE2 3.89Å; Y283-F310 HydrophobicContact CE2-CZ 4.44Å; F295-F310 HydrophobicContact CD1-CE1 4.24Å; F295-F310 HydrophobicContact CD1-CZ 4.35Å; F295-F310 AromaticContact CE1-CE1 3.67Å; F295-F310 HydrophobicContact CE1-CE1 3.67Å; F295-F310 AromaticContact CE1-CZ 3.4Å; F295-F310 HydrophobicContact CE1-CZ 3.4Å; F295-F310 VanDerWaalsContact CE1-CZ 3.4Å; F295-F310 AromaticContact CZ-CZ 3.9Å; F295-F310 HydrophobicContact CZ-CZ 3.9Å; P296-F310 HydrophobicContact CB-CD1 4.21Å; P296-F310 HydrophobicContact CB-CE1 4.1Å; P296-F310 HydrophobicContact CB-CE2 4.4Å; P296-F310 HydrophobicContact CB-CG 4.43Å; P296-F310 HydrophobicContact CB-CZ 4.22Å; P296-F310 HydrophobicContact CG-CD1 3.66Å; P296-F310 HydrophobicContact CG-CE1 3.96Å; P296-F310 HydrophobicContact CG-CG 4Å; T306-F310 PolarHBondContact O-N 3.32Å; A307-F310 WeakPolarHBondContact O-CB 3.48Å; A307-F310 PolarHBondContact O-N 3.47Å; A308-F310 VanDerWaalsContact C-N 3.33Å; A308-F310 PolarHBondContact O-N 2.69Å; F310-N312 PolarHBondContact O-N 3.32Å; F310-I313 PolarHBondContact O-N 3.09Å; F310-E314 HydrophobicContact CE1-CB 4.5Å; F310-E314 PolarHBondContact O-N 2.87Å; F310-A361 HydrophobicContact CE2-CB 4.45Å
311W92.8Very high86.2Confident113 Ų11371.9 Ų71.943%0.42839%0.391SS..Hα-helixtrans-65.7-36.4-178.9-71.2117.3000113F295 A307 A308 I313 E314 E315 C363F295-W311 VanDerWaalsContact O-CZ2 3.3Å; F295-W311 WeakPolarHBondContact O-CZ2 3.42Å; A307-W311 PolarHBondContact O-N 3.46Å; A307-W311 VanDerWaalsContact O-N 3.11Å; A308-W311 PolarHBondContact O-N 3.33Å; W311-I313 VanDerWaalsContact C-N 3.31Å; W311-I313 PolarHBondContact O-N 3.35Å; W311-E314 PolarHBondContact O-N 3.48Å; W311-E315 WeakPolarHBondContact O-CB 3.47Å; W311-E315 PolarHBondContact O-N 3.34Å; W311-C363 HydrophobicContact CZ3-CB 4.48Å
312N93.8Very high86.8Confident103 Ų10374.8 Ų74.855%0.55140%0.4SS*.Hα-helixtrans-61.2-41173.9-68.1-15.7000111.7A308 F310 E316A308-N312 PolarHBondContact O-N 3.38Å; A308-N312 PolarHBondContact O-ND2 2.91Å; A308-N312 PolarHBondContact O-OD1 3.42Å; F310-N312 PolarHBondContact O-N 3.32Å; N312-E316 WeakPolarHBondContact O-CB 3.45Å; N312-E316 PolarHBondContact O-N 3.22Å; N312-E316 VanDerWaalsContact O-N 3.08Å
313I93Very high88Confident80 Ų8077.6 Ų77.641%0.4140%0.399SS..Hα-helixtrans-68.5-41.7178.3-66.9165.9000110.9S309 F310 W311 A317 L360S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.31Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 2.9Å; F310-I313 PolarHBondContact O-N 3.09Å; W311-I313 VanDerWaalsContact C-N 3.31Å; W311-I313 PolarHBondContact O-N 3.35Å; I313-A317 WeakPolarHBondContact O-CB 3.38Å; I313-A317 PolarHBondContact O-N 3.27Å; I313-L360 HydrophobicContact CG2-CD1 3.59Å; I313-L360 HydrophobicContact CG2-CD2 3.71Å; I313-L360 HydrophobicContact CG2-CG 4.26Å
314E94.2Very high89.4Confident17 Ų1776.9 Ų76.98%0.07938%0.383CS..Hα-helixtrans-66.5-41.5176.8179.762.9-173.700111.6F310 W311 A317 V318 R362 C363F310-E314 HydrophobicContact CE1-CB 4.5Å; F310-E314 PolarHBondContact O-N 2.87Å; W311-E314 PolarHBondContact O-N 3.48Å; E314-A317 PolarHBondContact O-N 2.94Å; E314-V318 HydrophobicContact CG-CG2 4.38Å; E314-V318 WeakPolarHBondContact O-CB 3.47Å; E314-V318 VanDerWaalsContact O-CG2 3.3Å; E314-V318 WeakPolarHBondContact O-CG2 3.5Å; E314-V318 PolarHBondContact O-N 3.02Å; E314-R362 IonicContact OE1-CZ 2.91Å; E314-R362 IonicContact OE1-NE 2.73Å; E314-R362 PolarHBondContact OE1-NE 3.49Å; E314-R362 VanDerWaalsContact OE1-NE 3.17Å; E314-R362 IonicContact OE1-NH2 3.39Å; E314-R362 IonicContact OE2-NE 3.26Å; E314-R362 PolarHBondContact OE2-NE 2.92Å; E314-C363 HydrophobicContact CG-CB 4.49Å
315E95Very high90.8Very high139 Ų13968.5 Ų68.565%0.6534%0.344SS*.Hα-helixtrans-62.1-44.4176.9-173.3174.2-169.500111.4W311 A317 V318 E319W311-E315 WeakPolarHBondContact O-CB 3.47Å; W311-E315 PolarHBondContact O-N 3.34Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-A317 PolarHBondContact O-N 3.24Å; E315-V318 PolarHBondContact O-N 2.98Å; E315-E319 WeakPolarHBondContact O-CB 3.14Å; E315-E319 PolarHBondContact O-N 3.15Å
316E95.4Very high92.6Very high136 Ų13661.3 Ų61.364%0.63631%0.311SS*.Hα-helixtrans-62.1-40174.4-174.6180178.600112.1N312 E319 T320N312-E316 WeakPolarHBondContact O-CB 3.45Å; N312-E316 PolarHBondContact O-N 3.22Å; N312-E316 VanDerWaalsContact O-N 3.08Å; E316-E319 PolarHBondContact O-N 3.44Å; E316-T320 WeakPolarHBondContact O-CB 3.3Å; E316-T320 PolarHBondContact O-N 3.49Å; E316-T320 PolarHBondContact O-OG1 3.23Å
317A94.5Very high93.2Very high20 Ų2062.5 Ų62.517%0.16531%0.312CS..Hα-helixtrans-65.3-44.8177.400000111.7I313 E314 E315 T320 E321 L360I313-A317 WeakPolarHBondContact O-CB 3.38Å; I313-A317 PolarHBondContact O-N 3.27Å; E314-A317 PolarHBondContact O-N 2.94Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-A317 PolarHBondContact O-N 3.24Å; A317-T320 PolarHBondContact O-N 3.08Å; A317-E321 WeakPolarHBondContact O-CB 3.16Å; A317-E321 PolarHBondContact O-N 3.27Å; A317-L360 HydrophobicContact CB-CD1 3.99Å
318V94.7Very high93.7Very high48 Ų4861.6 Ų61.629%0.29130%0.303SS..Hα-helixtrans-63.7-40.6176.7169.80000111.1E314 E315 E321 R322E314-V318 HydrophobicContact CG-CG2 4.38Å; E314-V318 WeakPolarHBondContact O-CB 3.47Å; E314-V318 VanDerWaalsContact O-CG2 3.3Å; E314-V318 WeakPolarHBondContact O-CG2 3.5Å; E314-V318 PolarHBondContact O-N 3.02Å; E315-V318 PolarHBondContact O-N 2.98Å; V318-E321 PolarHBondContact O-N 2.94Å; V318-R322 WeakPolarHBondContact O-CB 3.29Å; V318-R322 PolarHBondContact O-N 3.42Å
319E95.6Very high94Very high78 Ų7859.9 Ų59.936%0.36429%0.287SS..Hα-helixtrans-72-34179.6-171.253.4-15100112.6E315 E316 R322 R323E315-E319 WeakPolarHBondContact O-CB 3.14Å; E315-E319 PolarHBondContact O-N 3.15Å; E316-E319 PolarHBondContact O-N 3.44Å; E319-R322 IonicContact OE2-CZ 2.79Å; E319-R322 IonicContact OE2-NH1 2.71Å; E319-R322 PolarHBondContact OE2-NH1 2.97Å; E319-R323 PolarHBondContact O-N 2.93Å; E319-R323 PolarHBondContact O-NE 3.43Å
320T95.1Very high94.2Very high36 Ų3660.2 Ų60.222%0.22129%0.286CS..Hα-helixtrans-67.9-44.3172.2-58.40000111.2E316 A317 R323 E324E316-T320 WeakPolarHBondContact O-CB 3.3Å; E316-T320 PolarHBondContact O-N 3.49Å; E316-T320 PolarHBondContact O-OG1 3.23Å; A317-T320 PolarHBondContact O-N 3.08Å; T320-R323 PolarHBondContact O-N 2.7Å; T320-R323 PolarHBondContact OG1-NH2 3.18Å; T320-E324 HydrophobicContact CG2-CG 4.49Å; T320-E324 VanDerWaalsContact O-CG 3.31Å; T320-E324 WeakPolarHBondContact O-CG 3.46Å; T320-E324 PolarHBondContact O-N 2.95Å
321E94.4Very high94.1Very high19 Ų1962.2 Ų62.29%0.08929%0.294CS..Hα-helixtrans-59.6-45.6174.9172.6176.997.100112A317 V318 R323 E324 I325 M353 K354 R362A317-E321 WeakPolarHBondContact O-CB 3.16Å; A317-E321 PolarHBondContact O-N 3.27Å; V318-E321 PolarHBondContact O-N 2.94Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.31Å; E321-E324 PolarHBondContact O-N 3.2Å; E321-I325 HydrophobicContact CG-CD1 3.72Å; E321-I325 HydrophobicContact CG-CG1 4.44Å; E321-I325 VanDerWaalsContact O-CG1 3.3Å; E321-I325 WeakPolarHBondContact O-CG1 3.28Å; E321-I325 PolarHBondContact O-N 3.28Å; E321-M353 WeakPolarHBondContact OE2-CA 3.12Å; E321-M353 WeakPolarHBondContact OE2-CB 3.43Å; E321-K354 HydrophobicContact CG-CB 4.25Å; E321-K354 VanDerWaalsContact OE2-CB 3.28Å; E321-K354 WeakPolarHBondContact OE2-CB 3.45Å; E321-K354 PolarHBondContact OE2-N 3.44Å; E321-R362 IonicContact OE1-NH2 3.42Å; E321-R362 PolarHBondContact OE1-NH2 3.25Å; E321-R362 VanDerWaalsContact OE1-NH2 3.1Å; E321-R362 IonicContact OE2-CZ 3.04Å; E321-R362 IonicContact OE2-NH1 3.98Å; E321-R362 PolarHBondContact OE2-NH1 2.81Å; E321-R362 IonicContact OE2-NH2 3.51Å; E321-R362 PolarHBondContact OE2-NH2 2.95Å
322R95.2Very high93.9Very high79 Ų7957.5 Ų57.530%0.29828%0.277SS..Hα-helixtrans-53.1-50.1175171.1-179.2-80.4107.11.6111.1V318 E319 I325 L326 L349V318-R322 WeakPolarHBondContact O-CB 3.29Å; V318-R322 PolarHBondContact O-N 3.42Å; E319-R322 IonicContact OE2-CZ 2.79Å; E319-R322 IonicContact OE2-NH1 2.71Å; E319-R322 PolarHBondContact OE2-NH1 2.97Å; R322-I325 PolarHBondContact O-N 3.41Å; R322-L326 HydrophobicContact CG-CD1 4.05Å; R322-L326 WeakPolarHBondContact O-CG 3.33Å; R322-L326 PolarHBondContact O-N 3.3Å; R322-L326 VanDerWaalsContact O-N 3.11Å; R322-L349 HydrophobicContact CB-CD1 4.1Å; R322-L349 HydrophobicContact CG-CD1 3.86Å
323R95.5Very high93.7Very high136 Ų13652.8 Ų52.851%0.51325%0.252SS..Hα-helixtrans-62-44.7178.1-74.9-178.5-80.7117.2-4.4112.3E319 T320 E321 I325 L326 E327E319-R323 PolarHBondContact O-N 2.93Å; E319-R323 PolarHBondContact O-NE 3.43Å; T320-R323 PolarHBondContact O-N 2.7Å; T320-R323 PolarHBondContact OG1-NH2 3.18Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.31Å; R323-I325 PolarHBondContact O-N 2.87Å; R323-L326 PolarHBondContact O-N 3.43Å; R323-E327 WeakPolarHBondContact O-CB 3.33Å; R323-E327 PolarHBondContact O-N 3.28Å
324E95.4Very high93.4Very high33 Ų3351.9 Ų51.915%0.15426%0.256CS..Hα-helixtrans-63.2-38.8179.4-71.2172.3170.200112.2V244 M246 T320 E321 L328 K354V244-E324 HydrophobicContact CG2-CG 4.32Å; M246-E324 HydrophobicContact CE-CB 3.47Å; M246-E324 VanDerWaalsContact CE-CB 3.47Å; T320-E324 HydrophobicContact CG2-CG 4.49Å; T320-E324 VanDerWaalsContact O-CG 3.31Å; T320-E324 WeakPolarHBondContact O-CG 3.46Å; T320-E324 PolarHBondContact O-N 2.95Å; E321-E324 PolarHBondContact O-N 3.2Å; E324-L328 WeakPolarHBondContact O-CB 3.48Å; E324-L328 PolarHBondContact O-N 3.26Å; E324-L328 VanDerWaalsContact O-N 3.09Å; E324-K354 IonicContact OE1-NZ 3.58Å; E324-K354 PolarHBondContact OE1-NZ 3.47Å; E324-K354 IonicContact OE2-NZ 2.77Å; E324-K354 PolarHBondContact OE2-NZ 3.01Å
325I95.7Very high92.8Very high2 Ų253.5 Ų53.51%0.0127%0.273CS..Hα-helixtrans-69.6-46.1178.3-65.2163.4000111.4M246 E321 R322 R323 E327 L328 E329 L348 L349 L352M246-I325 HydrophobicContact CE-CG1 3.81Å; M246-I325 HydrophobicContact SD-CG1 4Å; E321-I325 HydrophobicContact CG-CD1 3.72Å; E321-I325 HydrophobicContact CG-CG1 4.44Å; E321-I325 VanDerWaalsContact O-CG1 3.3Å; E321-I325 WeakPolarHBondContact O-CG1 3.28Å; E321-I325 PolarHBondContact O-N 3.28Å; R322-I325 PolarHBondContact O-N 3.41Å; R323-I325 PolarHBondContact O-N 2.87Å; I325-E327 VanDerWaalsContact C-N 3.33Å; I325-E327 PolarHBondContact O-N 3.38Å; I325-L328 WeakPolarHBondContact O-CB 3.47Å; I325-L328 PolarHBondContact O-N 3.06Å; I325-E329 PolarHBondContact O-N 3.27Å; I325-L348 HydrophobicContact CG2-CB 3.84Å; I325-L349 HydrophobicContact CB-CD1 4.41Å; I325-L349 HydrophobicContact CD1-CD1 4.38Å; I325-L349 HydrophobicContact CG2-CB 4.4Å; I325-L349 HydrophobicContact CG2-CD1 4.49Å; I325-L352 HydrophobicContact CD1-CB 4.03Å; I325-L352 VanDerWaalsContact CD1-O 3.25Å; I325-L352 WeakPolarHBondContact CD1-O 3.39Å; I325-L352 HydrophobicContact CG1-CB 4.25Å
326L95.2Very high92.1Very high26 Ų2650 Ų5014%0.13626%0.264CS..Hα-helixtrans-61.9-43.3178.3-69.9168.3000111.3R322 R323 L328 E329 V330 I341 E343 L349R322-L326 HydrophobicContact CG-CD1 4.05Å; R322-L326 WeakPolarHBondContact O-CG 3.33Å; R322-L326 PolarHBondContact O-N 3.3Å; R322-L326 VanDerWaalsContact O-N 3.11Å; R323-L326 PolarHBondContact O-N 3.43Å; L326-L328 PolarHBondContact O-N 2.99Å; L326-E329 PolarHBondContact O-N 3.13Å; L326-V330 VanDerWaalsContact O-CG2 3.27Å; L326-V330 WeakPolarHBondContact O-CG2 3.33Å; L326-V330 PolarHBondContact O-N 3.03Å; L326-I341 HydrophobicContact CD2-CG2 4.47Å; L326-E343 HydrophobicContact CD1-CG 3.61Å; L326-E343 HydrophobicContact CD2-CG 4.26Å; L326-L349 HydrophobicContact CD2-CD2 4.43Å
327E93.3Very high91.5Very high85 Ų8547.5 Ų47.540%0.39726%0.258SS..Hα-helixtrans-60.7-45.2176.5-177.3177.9-156.100111.4Y241 R323 I325 E329 V330 Y331Y241-E327 HydrophobicContact CE2-CG 4.01Å; R323-E327 WeakPolarHBondContact O-CB 3.33Å; R323-E327 PolarHBondContact O-N 3.28Å; I325-E327 VanDerWaalsContact C-N 3.33Å; I325-E327 PolarHBondContact O-N 3.38Å; E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 2.68Å; E327-V330 PolarHBondContact O-N 3.14Å; E327-Y331 HydrophobicContact CG-CD2 3.94Å; E327-Y331 HydrophobicContact CG-CE2 3.39Å; E327-Y331 WeakPolarHBondContact O-CD2 3.41Å; E327-Y331 PolarHBondContact O-N 2.83Å; E327-Y331 VanDerWaalsContact O-N 3.14Å; E327-Y331 WeakPolarHBondContact OE1-CE2 3.32Å; E327-Y331 PolarHBondContact OE1-OH 2.95Å
328L92.6Very high90.9Very high9 Ų954.7 Ų54.75%0.04729%0.286CS..Hα-helixtrans-57.6-47174.9176.163.3000111.3Y241 P243 M246 E324 I325 L326 Y331 L332Y241-L328 HydrophobicContact CE1-CD1 4.24Å; P243-L328 HydrophobicContact CB-CD1 4.02Å; M246-L328 HydrophobicContact CG-CD2 4.22Å; E324-L328 WeakPolarHBondContact O-CB 3.48Å; E324-L328 PolarHBondContact O-N 3.26Å; E324-L328 VanDerWaalsContact O-N 3.09Å; I325-L328 WeakPolarHBondContact O-CB 3.47Å; I325-L328 PolarHBondContact O-N 3.06Å; L326-L328 PolarHBondContact O-N 2.99Å; L328-Y331 PolarHBondContact O-N 3.01Å; L328-L332 HydrophobicContact CD1-CD1 4.33Å; L328-L332 HydrophobicContact CD1-CG 4.34Å; L328-L332 HydrophobicContact CG-CD1 4.07Å; L328-L332 HydrophobicContact CG-CG 4.47Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.24Å
329E93Very high90.6Very high14 Ų1458.4 Ų58.47%0.06530%0.3CS..Hα-helixtrans-66.1-38.2-178.9-165.4170.7-174.500112.4I325 L326 E327 Y331 L332 A333 I341 S346 L347 L348I325-E329 PolarHBondContact O-N 3.27Å; L326-E329 PolarHBondContact O-N 3.13Å; E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 2.68Å; E329-Y331 VanDerWaalsContact C-N 3.32Å; E329-Y331 PolarHBondContact O-N 2.66Å; E329-L332 PolarHBondContact O-N 3Å; E329-A333 VanDerWaalsContact O-CB 3.3Å; E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 2.93Å; E329-I341 HydrophobicContact CB-CG2 4.12Å; E329-I341 HydrophobicContact CG-CD1 4.15Å; E329-I341 HydrophobicContact CG-CG1 4.08Å; E329-I341 HydrophobicContact CG-CG2 3.95Å; E329-S346 WeakPolarHBondContact OE2-CA 3.08Å; E329-S346 VanDerWaalsContact OE2-CB 3.29Å; E329-S346 WeakPolarHBondContact OE2-CB 3.26Å; E329-S346 PolarHBondContact OE2-OG 3.19Å; E329-L347 PolarHBondContact OE1-N 2.82Å; E329-L347 PolarHBondContact OE2-N 3.38Å; E329-L348 HydrophobicContact CB-CD1 4Å; E329-L348 HydrophobicContact CB-CG 4.46Å; E329-L348 HydrophobicContact CG-CD1 4Å; E329-L348 HydrophobicContact CG-CG 4.13Å; E329-L348 PolarHBondContact OE2-N 3.44Å
330V91.8Very high90.3Very high65 Ų6560.4 Ų60.439%0.39432%0.317SS..Hα-helixtrans-56.5-46.7172.3168.40000110.6L326 E327 A333 A334 I341L326-V330 VanDerWaalsContact O-CG2 3.27Å; L326-V330 WeakPolarHBondContact O-CG2 3.33Å; L326-V330 PolarHBondContact O-N 3.03Å; E327-V330 PolarHBondContact O-N 3.14Å; V330-A333 PolarHBondContact O-N 3.35Å; V330-A334 VanDerWaalsContact O-CB 3.27Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 3.43Å; V330-I341 HydrophobicContact CG2-CB 3.83Å; V330-I341 HydrophobicContact CG2-CG1 4.46Å; V330-I341 HydrophobicContact CG2-CG2 4.45Å
331Y89.3Confident90.1Very high69 Ų6959.9 Ų59.927%0.27131%0.312SS..Hα-helixtrans-68-38.3178.4-69-54.9000112.8P238 Y241 E327 L328 E329 A335P238-Y331 HydrophobicContact CG-CD1 3.51Å; P238-Y331 HydrophobicContact CG-CE1 3.62Å; P238-Y331 HydrophobicContact CG-CG 4.21Å; Y241-Y331 AromaticContact CD1-CD2 3.63Å; Y241-Y331 HydrophobicContact CD1-CD2 3.63Å; Y241-Y331 AromaticContact CD1-CE2 3.87Å; Y241-Y331 HydrophobicContact CD1-CE2 3.87Å; Y241-Y331 HydrophobicContact CD1-CG 4.38Å; Y241-Y331 HydrophobicContact CD2-CD2 4.04Å; Y241-Y331 AromaticContact CD2-CE2 3.44Å; Y241-Y331 HydrophobicContact CD2-CE2 3.44Å; Y241-Y331 VanDerWaalsContact CD2-CE2 3.44Å; Y241-Y331 AromaticContact CE1-CD2 3.53Å; Y241-Y331 HydrophobicContact CE1-CD2 3.53Å; Y241-Y331 AromaticContact CE1-CE2 3.98Å; Y241-Y331 HydrophobicContact CE1-CE2 3.98Å; Y241-Y331 HydrophobicContact CE1-CG 4.48Å; Y241-Y331 AromaticContact CE2-CD2 3.97Å; Y241-Y331 HydrophobicContact CE2-CD2 3.97Å; Y241-Y331 AromaticContact CE2-CE2 3.58Å; Y241-Y331 HydrophobicContact CE2-CE2 3.58Å; Y241-Y331 AromaticContact CG-CD2 3.87Å; Y241-Y331 HydrophobicContact CG-CD2 3.87Å; Y241-Y331 AromaticContact CG-CE2 3.59Å; Y241-Y331 HydrophobicContact CG-CE2 3.59Å; Y241-Y331 AromaticContact CZ-CD2 3.71Å; Y241-Y331 AromaticContact CZ-CE2 3.84Å; E327-Y331 HydrophobicContact CG-CD2 3.94Å; E327-Y331 HydrophobicContact CG-CE2 3.39Å; E327-Y331 WeakPolarHBondContact O-CD2 3.41Å; E327-Y331 PolarHBondContact O-N 2.83Å; E327-Y331 VanDerWaalsContact O-N 3.14Å; E327-Y331 WeakPolarHBondContact OE1-CE2 3.32Å; E327-Y331 PolarHBondContact OE1-OH 2.95Å; L328-Y331 PolarHBondContact O-N 3.01Å; E329-Y331 VanDerWaalsContact C-N 3.32Å; E329-Y331 PolarHBondContact O-N 2.66Å; Y331-A335 WeakPolarHBondContact O-CB 3.46Å; Y331-A335 PolarHBondContact O-N 2.97Å
332L89.8Confident90Very high13 Ų1362.1 Ų62.17%0.06833%0.328CS..Hα-helixtrans-63.7-43.8175.1-69.5175.1000111.3Y229 R231 I235 L237 L328 E329 A335 S336 L348Y229-L332 HydrophobicContact CE1-CD1 4.41Å; R231-L332 HydrophobicContact CB-CD2 4.15Å; I235-L332 HydrophobicContact CD1-CD2 4.1Å; I235-L332 HydrophobicContact CG2-CD2 3.93Å; L237-L332 HydrophobicContact CD2-CD2 4.35Å; L328-L332 HydrophobicContact CD1-CD1 4.33Å; L328-L332 HydrophobicContact CD1-CG 4.34Å; L328-L332 HydrophobicContact CG-CD1 4.07Å; L328-L332 HydrophobicContact CG-CG 4.47Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.24Å; E329-L332 PolarHBondContact O-N 3Å; L332-A335 PolarHBondContact O-N 3.19Å; L332-S336 WeakPolarHBondContact O-CB 3.33Å; L332-S336 PolarHBondContact O-N 3.47Å; L332-S336 VanDerWaalsContact O-N 3.16Å; L332-S336 PolarHBondContact O-OG 3.46Å; L332-L348 HydrophobicContact CD1-CD1 3.75Å
333A88.4Confident89.8Confident4 Ų463.9 Ų63.93%0.03334%0.339CS..Hα-helixtrans-65.9-46.5177.300000111.2E329 V330 A335 S336 T337 K338 I341E329-A333 VanDerWaalsContact O-CB 3.3Å; E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 2.93Å; V330-A333 PolarHBondContact O-N 3.35Å; A333-A335 PolarHBondContact O-N 3.33Å; A333-A335 VanDerWaalsContact O-N 3.16Å; A333-S336 CarbonylContact O-C 3.5Å; A333-S336 PolarHBondContact O-N 2.95Å; A333-T337 PolarHBondContact O-N 3.35Å; A333-K338 WeakPolarHBondContact O-CA 3.43Å; A333-K338 PolarHBondContact O-N 2.93Å; A333-I341 HydrophobicContact CB-CD1 3.75Å; A333-I341 HydrophobicContact CB-CG1 3.56Å
334A86.3Confident89.6Confident61 Ų6166.7 Ų66.750%0.50436%0.358SS..Hα-helixtrans-55.8-35.6177.800000112.7V330V330-A334 VanDerWaalsContact O-CB 3.27Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 3.43Å
335A82.3Confident89.5Confident52 Ų5268.5 Ų68.543%0.4337%0.369SS..Hα-helixtrans-85.2-10.9178.100000114.6I235 Y331 L332 A333I235-A335 HydrophobicContact CG2-CB 3.54Å; Y331-A335 WeakPolarHBondContact O-CB 3.46Å; Y331-A335 PolarHBondContact O-N 2.97Å; L332-A335 PolarHBondContact O-N 3.19Å; A333-A335 PolarHBondContact O-N 3.33Å; A333-A335 VanDerWaalsContact O-N 3.16Å
336S81Confident89.4Confident66 Ų6668.9 Ų68.946%0.46237%0.372SS..THydrogen-bonded Turntrans-126.8-84.5-175.762.30000112.6L332 A333L332-S336 WeakPolarHBondContact O-CB 3.33Å; L332-S336 PolarHBondContact O-N 3.47Å; L332-S336 VanDerWaalsContact O-N 3.16Å; L332-S336 PolarHBondContact O-OG 3.46Å; A333-S336 CarbonylContact O-C 3.5Å; A333-S336 PolarHBondContact O-N 2.95Å
337T81.3Confident89.3Confident83 Ų8373.3 Ų73.351%0.50940%0.395SS..THydrogen-bonded Turntrans-79.8-20.9-172.160.90000113.9A333 Q339A333-T337 PolarHBondContact O-N 3.35Å; T337-Q339 PolarHBondContact O-N 3.42Å; T337-Q339 PolarHBondContact OG1-N 2.89Å
338K83.1Confident89.4Confident171 Ų17170.2 Ų70.274%0.74338%0.381SS*.  trans55.323.1-170.6-56.5178.8-178.8178.20113.8A333A333-K338 WeakPolarHBondContact O-CA 3.43Å; A333-K338 PolarHBondContact O-N 2.93Å
339Q87.5Confident89.5Confident126 Ų12671.7 Ų71.759%0.58939%0.389SS*.PPolyproline II helixtrans-73.4146.4173-72.1178.8-18.600110.4T337 I341T337-Q339 PolarHBondContact O-N 3.42Å; T337-Q339 PolarHBondContact OG1-N 2.89Å; Q339-I341 PolarHBondContact O-N 3.46Å
340V89.7Confident89.5Confident119 Ų11975.8 Ų75.872%0.72142%0.417SS*.PPolyproline II helixtrans-78.4118171.2179.70000107.7N345V340-N345 PolarHBondContact O-ND2 3.42Å
341I91.3Very high89.7Confident25 Ų2577.8 Ų77.813%0.12842%0.422CS..PPolyproline II helixtrans-89.2134.9179.1-53.5-60.6000109.4L326 E329 V330 A333 Q339L326-I341 HydrophobicContact CD2-CG2 4.47Å; E329-I341 HydrophobicContact CB-CG2 4.12Å; E329-I341 HydrophobicContact CG-CD1 4.15Å; E329-I341 HydrophobicContact CG-CG1 4.08Å; E329-I341 HydrophobicContact CG-CG2 3.95Å; V330-I341 HydrophobicContact CG2-CB 3.83Å; V330-I341 HydrophobicContact CG2-CG1 4.46Å; V330-I341 HydrophobicContact CG2-CG2 4.45Å; A333-I341 HydrophobicContact CB-CD1 3.75Å; A333-I341 HydrophobicContact CB-CG1 3.56Å; Q339-I341 PolarHBondContact O-N 3.46Å
342T91.7Very high90.1Very high66 Ų6674.7 Ų74.741%0.40541%0.41SS..  trans-135.3167.2179610000107.5E344 N345 S346T342-E344 VanDerWaalsContact C-N 3.27Å; T342-E344 PolarHBondContact O-N 3.41Å; T342-N345 WeakPolarHBondContact CA-OD1 3.33Å; T342-N345 PolarHBondContact N-OD1 3.42Å; T342-N345 PolarHBondContact O-N 3.01Å; T342-N345 PolarHBondContact O-OD1 2.95Å; T342-N345 PolarHBondContact OG1-N 2.8Å; T342-N345 PolarHBondContact OG1-ND2 3.14Å; T342-N345 PolarHBondContact OG1-OD1 2.77Å; T342-S346 WeakPolarHBondContact O-CB 3.09Å; T342-S346 PolarHBondContact O-N 2.75Å; T342-S346 VanDerWaalsContact O-N 3.07Å
343E90.9Very high90.3Very high117 Ų11774.4 Ų74.455%0.54741%0.408SS..THydrogen-bonded Turntrans-60.1-37.9177.2-71.6-177.3-169.700113L326 N345L326-E343 HydrophobicContact CD1-CG 3.61Å; L326-E343 HydrophobicContact CD2-CG 4.26Å; E343-N345 PolarHBondContact O-N 2.79Å
344E91.5Very high90.7Very high195 Ų19577 Ų7791%0.91142%0.419SS*.THydrogen-bonded Turntrans-71.9-28.9-175.9-62.5-175.8171.100113.5T342T342-E344 VanDerWaalsContact C-N 3.27Å; T342-E344 PolarHBondContact O-N 3.41Å
345N93.4Very high91.2Very high70 Ų7076.1 Ų76.137%0.37440%0.403SS..THydrogen-bonded Turntrans-1061.5-178.273.8-1.6000113.6V340 T342 E343 L347V340-N345 PolarHBondContact O-ND2 3.42Å; T342-N345 WeakPolarHBondContact CA-OD1 3.33Å; T342-N345 PolarHBondContact N-OD1 3.42Å; T342-N345 PolarHBondContact O-N 3.01Å; T342-N345 PolarHBondContact O-OD1 2.95Å; T342-N345 PolarHBondContact OG1-N 2.8Å; T342-N345 PolarHBondContact OG1-ND2 3.14Å; T342-N345 PolarHBondContact OG1-OD1 2.77Å; E343-N345 PolarHBondContact O-N 2.79Å; N345-L347 PolarHBondContact O-N 2.84Å
346S94.7Very high91.8Very high11 Ų1177.1 Ų77.18%0.07740%0.401CS..  trans-64.7123.5178.2173.10000110.7E329 T342 L349E329-S346 WeakPolarHBondContact OE2-CA 3.08Å; E329-S346 VanDerWaalsContact OE2-CB 3.29Å; E329-S346 WeakPolarHBondContact OE2-CB 3.26Å; E329-S346 PolarHBondContact OE2-OG 3.19Å; T342-S346 WeakPolarHBondContact O-CB 3.09Å; T342-S346 PolarHBondContact O-N 2.75Å; T342-S346 VanDerWaalsContact O-N 3.07Å; S346-L349 WeakPolarHBondContact OG-CB 3.4Å; S346-L349 PolarHBondContact OG-N 2.7Å
347L92.7Very high92.6Very high119 Ų11974.5 Ų74.562%0.62338%0.382SS*.SBendtrans-86.9-27.6175-61.3178.7000111.2E329 N345 Q351E329-L347 PolarHBondContact OE1-N 2.82Å; E329-L347 PolarHBondContact OE2-N 3.38Å; N345-L347 PolarHBondContact O-N 2.84Å; L347-Q351 PolarHBondContact O-NE2 2.87Å
348L94.5Very high93.3Very high20 Ų2077 Ų7711%0.10539%0.386CS..SBendtrans-86.9-32-175-62.6-174000113.2Y229 I325 E329 L332 Q351 L352Y229-L348 HydrophobicContact CE2-CD2 4.33Å; I325-L348 HydrophobicContact CG2-CB 3.84Å; E329-L348 HydrophobicContact CB-CD1 4Å; E329-L348 HydrophobicContact CB-CG 4.46Å; E329-L348 HydrophobicContact CG-CD1 4Å; E329-L348 HydrophobicContact CG-CG 4.13Å; E329-L348 PolarHBondContact OE2-N 3.44Å; L332-L348 HydrophobicContact CD1-CD1 3.75Å; L348-Q351 PolarHBondContact O-N 3.31Å; L348-L352 HydrophobicContact CB-CD1 3.93Å; L348-L352 HydrophobicContact CB-CG 4.26Å; L348-L352 HydrophobicContact CD1-CD1 4.17Å; L348-L352 HydrophobicContact CD2-CD1 4.22Å; L348-L352 HydrophobicContact CG-CD1 4.33Å; L348-L352 PolarHBondContact O-N 2.95Å
349L94.8Very high93.8Very high39 Ų3970 Ų7020%0.20436%0.362CS..THydrogen-bonded Turntrans-52.7-45.5-179.1-174.966.8000114.1R322 I325 L326 S346 Q351R322-L349 HydrophobicContact CB-CD1 4.1Å; R322-L349 HydrophobicContact CG-CD1 3.86Å; I325-L349 HydrophobicContact CB-CD1 4.41Å; I325-L349 HydrophobicContact CD1-CD1 4.38Å; I325-L349 HydrophobicContact CG2-CB 4.4Å; I325-L349 HydrophobicContact CG2-CD1 4.49Å; L326-L349 HydrophobicContact CD2-CD2 4.43Å; S346-L349 WeakPolarHBondContact OG-CB 3.4Å; S346-L349 PolarHBondContact OG-N 2.7Å; L349-Q351 VanDerWaalsContact C-N 3.28Å; L349-Q351 PolarHBondContact O-N 3.19Å
350P94Very high94.1Very high101 Ų10168.1 Ų68.166%0.65636%0.356SS*.THydrogen-bonded Turntrans-77.1-10177.429.5-35.1000114.3
351Q95.7Very high94.3Very high106 Ų10662.8 Ų62.850%0.49532%0.324SS..THydrogen-bonded Turntrans-107.8-22.2-171.2-65.9-174.855.200113.8C249 L347 L348 L349C249-Q351 WeakPolarHBondContact CB-O 3.48Å; C249-Q351 PolarHBondContact N-O 3.27Å; C249-Q351 PolarHBondContact SG-O 3.23Å; L347-Q351 PolarHBondContact O-NE2 2.87Å; L348-Q351 PolarHBondContact O-N 3.31Å; L349-Q351 VanDerWaalsContact C-N 3.28Å; L349-Q351 PolarHBondContact O-N 3.19Å
352L96.6Very high94.5Very high5 Ų562.7 Ų62.73%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-114.7151-171.5-60.1-171000112.2Y229 M246 A247 I248 C249 I325 L348Y229-L352 HydrophobicContact CD1-CD1 4Å; Y229-L352 HydrophobicContact CD2-CD1 4.35Å; Y229-L352 HydrophobicContact CD2-CD2 3.81Å; Y229-L352 HydrophobicContact CE1-CD1 4.38Å; Y229-L352 HydrophobicContact CG-CD1 3.98Å; Y229-L352 HydrophobicContact CG-CD2 3.82Å; M246-L352 HydrophobicContact CB-CB 4.36Å; M246-L352 HydrophobicContact CB-CD1 4.09Å; M246-L352 HydrophobicContact CG-CD1 4.43Å; A247-L352 WeakPolarHBondContact O-CA 3.47Å; I248-L352 HydrophobicContact CG1-CD2 4.12Å; C249-L352 PolarHBondContact SG-O 2.89Å; I325-L352 HydrophobicContact CD1-CB 4.03Å; I325-L352 VanDerWaalsContact CD1-O 3.25Å; I325-L352 WeakPolarHBondContact CD1-O 3.39Å; I325-L352 HydrophobicContact CG1-CB 4.25Å; L348-L352 HydrophobicContact CB-CD1 3.93Å; L348-L352 HydrophobicContact CB-CG 4.26Å; L348-L352 HydrophobicContact CD1-CD1 4.17Å; L348-L352 HydrophobicContact CD2-CD1 4.22Å; L348-L352 HydrophobicContact CG-CD1 4.33Å; L348-L352 PolarHBondContact O-N 2.95Å
353M95.8Very high94.7Very high6 Ų661.5 Ų61.53%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-138.9161.116763.2-177.9-64.800109.6M246 A247 C249 Y252 W253 E321 Y355 R362M246-M353 CarbonylContact C-O 3.51Å; M246-M353 VanDerWaalsContact CA-O 3.31Å; M246-M353 WeakPolarHBondContact CA-O 3.48Å; A247-M353 HydrophobicContact CB-CG 4.39Å; A247-M353 PolarHBondContact N-O 2.79Å; A247-M353 PolarHBondContact O-N 3.1Å; C249-M353 PolarHBondContact SG-N 3.41Å; Y252-M353 HydrophobicContact CD1-CE 3.87Å; Y252-M353 HydrophobicContact CD1-CG 4.37Å; Y252-M353 HydrophobicContact CD1-SD 3.33Å; Y252-M353 WeakPolarHBondContact CD1-SD 3.29Å; Y252-M353 HydrophobicContact CE1-CE 3.7Å; Y252-M353 HydrophobicContact CE1-SD 3.83Å; Y252-M353 HydrophobicContact CG-SD 4.14Å; W253-M353 HydrophobicContact CZ2-CE 3.99Å; W253-M353 HydrophobicContact CZ2-SD 4.16Å; E321-M353 WeakPolarHBondContact OE2-CA 3.12Å; E321-M353 WeakPolarHBondContact OE2-CB 3.43Å; M353-Y355 PolarHBondContact O-N 3.36Å; M353-R362 HydrophobicContact CE-CB 4.25Å; M353-R362 HydrophobicContact CE-CG 4.18Å
354K95.8Very high94.9Very high58 Ų5856.1 Ų56.125%0.25229%0.291SS..EExtended strand (participates in β ladder)trans-62.2126.4176.8-171.5170.4-170.5143.30110.4V244 M246 E321 E324 D356V244-K354 HydrophobicContact CG1-CD 4.36Å; V244-K354 HydrophobicContact CG1-CG 4.07Å; M246-K354 HydrophobicContact SD-CB 4.42Å; E321-K354 HydrophobicContact CG-CB 4.25Å; E321-K354 VanDerWaalsContact OE2-CB 3.28Å; E321-K354 WeakPolarHBondContact OE2-CB 3.45Å; E321-K354 PolarHBondContact OE2-N 3.44Å; E324-K354 IonicContact OE1-NZ 3.58Å; E324-K354 PolarHBondContact OE1-NZ 3.47Å; E324-K354 IonicContact OE2-NZ 2.77Å; E324-K354 PolarHBondContact OE2-NZ 3.01Å; K354-D356 PolarHBondContact O-N 2.99Å
355Y96.5Very high95.2Very high44 Ų4449.6 Ų49.617%0.17327%0.266CS..  trans-8195.9173.1175.4-95.3000109.4L224 K225 I228 P245 A247 Y252 M353 P357L224-Y355 HydrophobicContact CB-CE2 4.18Å; L224-Y355 WeakPolarHBondContact O-CE2 3.44Å; K225-Y355 WeakPolarHBondContact CG-OH 3.35Å; I228-Y355 HydrophobicContact CD1-CD1 3.9Å; I228-Y355 HydrophobicContact CD1-CD2 4.19Å; I228-Y355 HydrophobicContact CD1-CE1 3.77Å; I228-Y355 HydrophobicContact CD1-CE2 4.05Å; I228-Y355 HydrophobicContact CD1-CG 4.12Å; I228-Y355 HydrophobicContact CG1-CD1 4.1Å; I228-Y355 HydrophobicContact CG1-CD2 3.66Å; I228-Y355 HydrophobicContact CG1-CE1 4.31Å; I228-Y355 HydrophobicContact CG1-CE2 3.85Å; I228-Y355 HydrophobicContact CG1-CG 3.78Å; P245-Y355 HydrophobicContact CB-CD1 4.08Å; P245-Y355 WeakPolarHBondContact O-CB 3.3Å; P245-Y355 PolarHBondContact O-N 3.43Å; A247-Y355 HydrophobicContact CB-CD2 4.27Å; Y252-Y355 HydrophobicContact CE2-CD2 4.13Å; Y252-Y355 HydrophobicContact CE2-CE2 4.43Å; M353-Y355 PolarHBondContact O-N 3.36Å; Y355-P357 HydrophobicContact CE1-CG 4.25Å; Y355-P357 HydrophobicContact CE2-CG 3.96Å
356D96.5Very high95.3Very high73 Ų7350.9 Ų50.939%0.3928%0.277SS..  trans-144.169.6172.6-170.210.1000111.7K354 K358 G359K354-D356 PolarHBondContact O-N 2.99Å; D356-K358 PolarHBondContact O-N 3.29Å; D356-K358 VanDerWaalsContact O-N 3.11Å; D356-G359 PolarHBondContact O-N 2.69Å; D356-G359 VanDerWaalsContact O-N 3.12Å; D356-G359 PolarHBondContact OD1-N 3.18Å; D356-G359 VanDerWaalsContact OD1-N 3.12Å; D356-G359 WeakPolarHBondContact OD2-CA 3.25Å
357P96.8Very high95.4Very high11 Ų1154.6 Ų54.67%0.07130%0.301CS..THydrogen-bonded Turntrans-66.8-15.1-172.327.9-36.4000114.6L224 Y252 W256 Y278 Y355L224-P357 HydrophobicContact CD1-CB 3.81Å; L224-P357 HydrophobicContact CD1-CG 4.45Å; Y252-P357 WeakPolarHBondContact OH-CA 3.19Å; W256-P357 HydrophobicContact CH2-CB 4.43Å; W256-P357 HydrophobicContact CZ2-CB 4.14Å; Y278-P357 HydrophobicContact CD1-CB 4Å; Y278-P357 WeakPolarHBondContact CD1-O 3.28Å; Y278-P357 HydrophobicContact CE1-CB 4.12Å; Y278-P357 HydrophobicContact CE1-CG 4.5Å; Y355-P357 HydrophobicContact CE1-CG 4.25Å; Y355-P357 HydrophobicContact CE2-CG 3.96Å
358K95.9Very high95.6Very high134 Ų13449.7 Ų49.758%0.58328%0.275SS*.THydrogen-bonded Turntrans-106-3177.6-63.9-167.5173.8-174.90113.1S277 Y278 D356S277-K358 WeakPolarHBondContact O-CG 3.31Å; Y278-K358 HydrophobicContact CD1-CG 4.22Å; Y278-K358 HydrophobicContact CE1-CG 4.03Å; D356-K358 PolarHBondContact O-N 3.29Å; D356-K358 VanDerWaalsContact O-N 3.11Å
359G93.8Very high95.8Very high24 Ų2449.6 Ų49.625%0.24728%0.275CS..SBendtrans-84.4-136.1176.800000111.8P279 D356P279-G359 VanDerWaalsContact CG-O 3.28Å; P279-G359 WeakPolarHBondContact CG-O 3.37Å; D356-G359 PolarHBondContact O-N 2.69Å; D356-G359 VanDerWaalsContact O-N 3.12Å; D356-G359 PolarHBondContact OD1-N 3.18Å; D356-G359 VanDerWaalsContact OD1-N 3.12Å; D356-G359 WeakPolarHBondContact OD2-CA 3.25Å
360L93.1Very high95.9Very high87 Ų8752.4 Ų52.446%0.45529%0.29SS..SBendtrans-62.7142.6-178-62.9171.8000111.9I313 A317 R362I313-L360 HydrophobicContact CG2-CD1 3.59Å; I313-L360 HydrophobicContact CG2-CD2 3.71Å; I313-L360 HydrophobicContact CG2-CG 4.26Å; A317-L360 HydrophobicContact CB-CD1 3.99Å; L360-R362 PolarHBondContact O-N 3.44Å
361A95Very high96.1Very high7 Ų751.2 Ų51.26%0.05828%0.276CS..  trans-68.2115.6170.600000108.9P279 Y283 F295 F310P279-A361 HydrophobicContact CB-CB 3.8Å; Y283-A361 HydrophobicContact CD1-CB 4.17Å; Y283-A361 HydrophobicContact CD2-CB 3.9Å; Y283-A361 HydrophobicContact CE1-CB 4.14Å; Y283-A361 HydrophobicContact CE2-CB 3.84Å; Y283-A361 HydrophobicContact CG-CB 4.08Å; F295-A361 HydrophobicContact CZ-CB 4.3Å; F310-A361 HydrophobicContact CE2-CB 4.45Å
362R95.8Very high96.2Very high23 Ų2346.3 Ų46.39%0.08725%0.253CS..PPolyproline II helixtrans-91.3143.4-174.4-62-58-59.4-77.4-0.5111.8W253 T280 F295 E314 E321 M353 L360 P364W253-R362 HydrophobicContact CH2-CB 4.1Å; W253-R362 HydrophobicContact CZ2-CB 4.48Å; T280-R362 PolarHBondContact OG1-N 2.72Å; T280-R362 VanDerWaalsContact OG1-N 3.12Å; F295-R362 WeakPolarHBondContact CZ-O 3.34Å; E314-R362 IonicContact OE1-CZ 2.91Å; E314-R362 IonicContact OE1-NE 2.73Å; E314-R362 PolarHBondContact OE1-NE 3.49Å; E314-R362 VanDerWaalsContact OE1-NE 3.17Å; E314-R362 IonicContact OE1-NH2 3.39Å; E314-R362 IonicContact OE2-NE 3.26Å; E314-R362 PolarHBondContact OE2-NE 2.92Å; E321-R362 IonicContact OE1-NH2 3.42Å; E321-R362 PolarHBondContact OE1-NH2 3.25Å; E321-R362 VanDerWaalsContact OE1-NH2 3.1Å; E321-R362 IonicContact OE2-CZ 3.04Å; E321-R362 IonicContact OE2-NH1 3.98Å; E321-R362 PolarHBondContact OE2-NH1 2.81Å; E321-R362 IonicContact OE2-NH2 3.51Å; E321-R362 PolarHBondContact OE2-NH2 2.95Å; M353-R362 HydrophobicContact CE-CB 4.25Å; M353-R362 HydrophobicContact CE-CG 4.18Å; L360-R362 PolarHBondContact O-N 3.44Å; R362-P364 WeakPolarHBondContact O-CD 3.28Å
363C94.9Very high96.2Very high41 Ų4147.1 Ų47.128%0.27726%0.259SS..PPolyproline II helixtrans-73.5119178.1-1720000111.6W253 F295 W311 E314W253-C363 WeakPolarHBondContact CZ2-O 3.46Å; F295-C363 HydrophobicContact CD1-CB 3.76Å; F295-C363 HydrophobicContact CE1-CB 3.75Å; W311-C363 HydrophobicContact CZ3-CB 4.48Å; E314-C363 HydrophobicContact CG-CB 4.49Å
364P96.2Very high96.3Very high4 Ų451.3 Ų51.33%0.02628%0.281CS..PPolyproline II helixtrans-70.1147.4174.1-9.624000111.7W253 L284 F295 R362 V368 I369W253-P364 HydrophobicContact CD2-CB 4.46Å; W253-P364 HydrophobicContact CE3-CB 3.9Å; W253-P364 HydrophobicContact CE3-CG 4.43Å; W253-P364 VanDerWaalsContact CH2-CA 3.45Å; W253-P364 HydrophobicContact CH2-CB 3.9Å; W253-P364 HydrophobicContact CH2-CG 4.02Å; W253-P364 HydrophobicContact CZ2-CB 4.45Å; W253-P364 HydrophobicContact CZ3-CB 3.6Å; W253-P364 HydrophobicContact CZ3-CG 3.71Å; L284-P364 HydrophobicContact CD2-CG 3.68Å; F295-P364 HydrophobicContact CD2-CG 4.31Å; R362-P364 WeakPolarHBondContact O-CD 3.28Å; P364-V368 HydrophobicContact CB-CB 4.18Å; P364-V368 HydrophobicContact CB-CG1 3.97Å; P364-I369 HydrophobicContact CB-CG1 4Å; P364-I369 HydrophobicContact CG-CG1 4.34Å
365P96.2Very high96.3Very high59 Ų5948.8 Ų48.838%0.38327%0.27SS..PPolyproline II helixtrans-58.9148.5168.4-24.333.3000112.3W253 P367 V368 I369W253-P365 VanDerWaalsContact CE2-CD 3.42Å; P365-P367 VanDerWaalsContact C-CD 3.44Å; P365-P367 VanDerWaalsContact C-N 3.34Å; P365-V368 HydrophobicContact CB-CG2 4.25Å; P365-V368 HydrophobicContact CG-CG2 4.28Å; P365-V368 WeakPolarHBondContact O-CA 3.48Å; P365-V368 VanDerWaalsContact O-CB 3.3Å; P365-V368 WeakPolarHBondContact O-CB 3.48Å; P365-V368 PolarHBondContact O-N 2.8Å; P365-I369 PolarHBondContact O-N 3.39Å
366T96.2Very high96.2Very high97 Ų9746.9 Ų46.960%0.59526%0.264SS*.Hα-helixtrans-50.1-44.1178.9-470000114V368 I369 D370T366-V368 PolarHBondContact O-N 3.36Å; T366-I369 WeakPolarHBondContact O-CB 3.44Å; T366-I369 PolarHBondContact O-N 3.01Å; T366-I369 VanDerWaalsContact O-N 3.09Å; T366-D370 VanDerWaalsContact O-CG 3.29Å; T366-D370 PolarHBondContact O-N 3.02Å
367P96.8Very high96Very high89 Ų8950.4 Ų50.458%0.57828%0.275SS*.Hα-helixtrans-60.7-30.2177.9-24.235.2000114.1P365 Q371P365-P367 VanDerWaalsContact C-CD 3.44Å; P365-P367 VanDerWaalsContact C-N 3.34Å; P367-Q371 WeakPolarHBondContact O-CB 3.36Å; P367-Q371 PolarHBondContact O-N 3.2Å
368V97.7Very high95.9Very high15 Ų1554.8 Ų54.89%0.09130%0.295CS..Hα-helixtrans-72-43.2177175.60000109.7W253 I257 P364 P365 T366 Q371 I372W253-V368 HydrophobicContact CB-CG1 4.18Å; W253-V368 HydrophobicContact CB-CG2 3.65Å; W253-V368 HydrophobicContact CE3-CG1 4.21Å; W253-V368 HydrophobicContact CG-CG2 3.98Å; I257-V368 HydrophobicContact CD1-CG1 4.07Å; I257-V368 HydrophobicContact CG1-CG1 4.14Å; P364-V368 HydrophobicContact CB-CB 4.18Å; P364-V368 HydrophobicContact CB-CG1 3.97Å; P365-V368 HydrophobicContact CB-CG2 4.25Å; P365-V368 HydrophobicContact CG-CG2 4.28Å; P365-V368 WeakPolarHBondContact O-CA 3.48Å; P365-V368 VanDerWaalsContact O-CB 3.3Å; P365-V368 WeakPolarHBondContact O-CB 3.48Å; P365-V368 PolarHBondContact O-N 2.8Å; T366-V368 PolarHBondContact O-N 3.36Å; V368-Q371 PolarHBondContact O-N 3.46Å; V368-I372 HydrophobicContact CG1-CD1 4.16Å; V368-I372 VanDerWaalsContact O-CG1 3.31Å; V368-I372 WeakPolarHBondContact O-CG1 3.36Å; V368-I372 PolarHBondContact O-N 3.36Å
369I97.6Very high95.7Very high18 Ų1849.2 Ų49.29%0.09227%0.272CS..Hα-helixtrans-60.4-46.2175.2-62.9-179.6000110.5M287 F293 F295 P364 P365 T366 Q371 I372 S373M287-I369 HydrophobicContact CE-CD1 4.42Å; M287-I369 HydrophobicContact CE-CG1 4.27Å; M287-I369 HydrophobicContact CE-CG2 3.84Å; F293-I369 HydrophobicContact CB-CG2 3.7Å; F293-I369 VanDerWaalsContact O-CG2 3.23Å; F293-I369 WeakPolarHBondContact O-CG2 3.44Å; F295-I369 HydrophobicContact CB-CD1 4.27Å; P364-I369 HydrophobicContact CB-CG1 4Å; P364-I369 HydrophobicContact CG-CG1 4.34Å; P365-I369 PolarHBondContact O-N 3.39Å; T366-I369 WeakPolarHBondContact O-CB 3.44Å; T366-I369 PolarHBondContact O-N 3.01Å; T366-I369 VanDerWaalsContact O-N 3.09Å; I369-Q371 VanDerWaalsContact C-N 3.32Å; I369-Q371 PolarHBondContact O-N 3.37Å; I369-I372 PolarHBondContact O-N 3.09Å; I369-S373 PolarHBondContact O-N 3.13Å
370D97.8Very high95.6Very high98 Ų9849.7 Ų49.752%0.52428%0.276SS..Hα-helixtrans-61.1-41.5177.3-66-27.4000111.6T366 S373 L374T366-D370 VanDerWaalsContact O-CG 3.29Å; T366-D370 PolarHBondContact O-N 3.02Å; D370-S373 WeakPolarHBondContact O-CB 3.23Å; D370-S373 PolarHBondContact O-N 3Å; D370-L374 PolarHBondContact O-N 2.93Å
371Q97.2Very high95.6Very high76 Ų7645.6 Ų45.636%0.35526%0.255SS..Hα-helixtrans-65.7-41.6177.4-169.61772.500111.9I257 P367 V368 I369 S373 L374 L375I257-Q371 HydrophobicContact CD1-CB 4.12Å; I257-Q371 VanDerWaalsContact CD1-CD 3.41Å; I257-Q371 HydrophobicContact CD1-CG 3.95Å; P367-Q371 WeakPolarHBondContact O-CB 3.36Å; P367-Q371 PolarHBondContact O-N 3.2Å; V368-Q371 PolarHBondContact O-N 3.46Å; I369-Q371 VanDerWaalsContact C-N 3.32Å; I369-Q371 PolarHBondContact O-N 3.37Å; Q371-S373 VanDerWaalsContact C-N 3.31Å; Q371-S373 PolarHBondContact O-N 3.33Å; Q371-L374 PolarHBondContact O-N 2.97Å; Q371-L375 HydrophobicContact CG-CD1 3.93Å; Q371-L375 WeakPolarHBondContact O-CB 3.17Å; Q371-L375 WeakPolarHBondContact O-CD1 3.47Å; Q371-L375 VanDerWaalsContact O-CG 3.26Å; Q371-L375 WeakPolarHBondContact O-CG 3.36Å; Q371-L375 PolarHBondContact O-N 3.38Å
372I97.9Very high95.5Very high3 Ų345.9 Ų45.92%0.01525%0.254CS..Hα-helixtrans-62.4-41.1174-67.6170.7000110.3I257 L284 V288 F293 V368 I369 L375 S376I257-I372 HydrophobicContact CG1-CD1 4.33Å; I257-I372 HydrophobicContact CG1-CG1 3.93Å; L284-I372 HydrophobicContact CD1-CD1 4.14Å; L284-I372 HydrophobicContact CD2-CD1 3.64Å; L284-I372 HydrophobicContact CG-CD1 4.37Å; V288-I372 HydrophobicContact CG2-CG2 3.7Å; F293-I372 HydrophobicContact CD1-CG2 4.39Å; F293-I372 HydrophobicContact CE1-CG2 4.12Å; V368-I372 HydrophobicContact CG1-CD1 4.16Å; V368-I372 VanDerWaalsContact O-CG1 3.31Å; V368-I372 WeakPolarHBondContact O-CG1 3.36Å; V368-I372 PolarHBondContact O-N 3.36Å; I369-I372 PolarHBondContact O-N 3.09Å; I372-L375 PolarHBondContact O-N 3.1Å; I372-S376 WeakPolarHBondContact O-CB 3.34Å; I372-S376 PolarHBondContact O-N 2.99Å
373S97.4Very high95.1Very high22 Ų2250.5 Ų50.515%0.15427%0.272CS..Hα-helixtrans-60.1-47175.7-171.10000112.5F293 I369 D370 Q371 S376 K377F293-S373 WeakPolarHBondContact CD2-OG 3.47Å; F293-S373 VanDerWaalsContact CE1-CA 3.5Å; F293-S373 WeakPolarHBondContact CE2-OG 3.33Å; I369-S373 PolarHBondContact O-N 3.13Å; D370-S373 WeakPolarHBondContact O-CB 3.23Å; D370-S373 PolarHBondContact O-N 3Å; Q371-S373 VanDerWaalsContact C-N 3.31Å; Q371-S373 PolarHBondContact O-N 3.33Å; S373-S376 PolarHBondContact O-N 3.4Å; S373-K377 PolarHBondContact O-N 3.19Å
374L97.3Very high94.9Very high94 Ų9451.4 Ų51.449%0.49227%0.272SS..Hα-helixtrans-61.3-47.2177.1178.962.5000111.7D370 Q371 S376 K377 Q378D370-L374 PolarHBondContact O-N 2.93Å; Q371-L374 PolarHBondContact O-N 2.97Å; L374-S376 VanDerWaalsContact C-N 3.35Å; L374-S376 PolarHBondContact O-N 2.93Å; L374-K377 PolarHBondContact O-N 3.29Å; L374-Q378 HydrophobicContact CD1-CG 4.32Å; L374-Q378 WeakPolarHBondContact O-CG 3.32Å; L374-Q378 PolarHBondContact O-N 2.89Å
375L95.8Very high94.8Very high5 Ų551.2 Ų51.23%0.02627%0.27CS..Hα-helixtrans-67-35.9-179.5-71.6164000112.3F204 I257 I261 Q371 I372 K377 Q378 L379F204-L375 HydrophobicContact CZ-CD2 4.3Å; I257-L375 HydrophobicContact CG2-CD1 3.37Å; I261-L375 HydrophobicContact CD1-CD1 4.12Å; I261-L375 HydrophobicContact CD1-CD2 4.46Å; Q371-L375 HydrophobicContact CG-CD1 3.93Å; Q371-L375 WeakPolarHBondContact O-CB 3.17Å; Q371-L375 WeakPolarHBondContact O-CD1 3.47Å; Q371-L375 VanDerWaalsContact O-CG 3.26Å; Q371-L375 WeakPolarHBondContact O-CG 3.36Å; Q371-L375 PolarHBondContact O-N 3.38Å; I372-L375 PolarHBondContact O-N 3.1Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.32Å; L375-Q378 PolarHBondContact O-N 3.09Å; L375-L379 HydrophobicContact CD2-CD1 4.18Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 PolarHBondContact O-N 3.13Å
376S94.7Very high94.5Very high5 Ų548.4 Ų48.44%0.03525%0.252CS..Hα-helixtrans-54.5-47.1174-177.70000111.1I372 S373 L374 G380 L381I372-S376 WeakPolarHBondContact O-CB 3.34Å; I372-S376 PolarHBondContact O-N 2.99Å; S373-S376 PolarHBondContact O-N 3.4Å; L374-S376 VanDerWaalsContact C-N 3.35Å; L374-S376 PolarHBondContact O-N 2.93Å; S376-G380 WeakPolarHBondContact O-CA 3.31Å; S376-G380 PolarHBondContact O-N 3.37Å; S376-L381 PolarHBondContact O-N 3.16Å; S376-L381 VanDerWaalsContact O-N 3.12Å
377K92.5Very high94.1Very high146 Ų14645.7 Ų45.764%0.63524%0.24SC*.Hα-helixtrans-68.1-44.8177.8-66.4175.4-177.3174.40112.5S373 L374 L375S373-K377 PolarHBondContact O-N 3.19Å; L374-K377 PolarHBondContact O-N 3.29Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.32Å
378Q94.3Very high93.8Very high103 Ų10342 Ų4248%0.48122%0.216SC..Hα-helixtrans-68.5-35.4-177.1-73.3177.1-19.200113.4F204 L374 L375F204-Q378 HydrophobicContact CE1-CB 4.27Å; L374-Q378 HydrophobicContact CD1-CG 4.32Å; L374-Q378 WeakPolarHBondContact O-CG 3.32Å; L374-Q378 PolarHBondContact O-N 2.89Å; L375-Q378 PolarHBondContact O-N 3.09Å
379L92.5Very high93.2Very high18 Ų1846.5 Ų46.59%0.09423%0.232CC..Hα-helixtrans-107.80.3-171.4-59.2178000113.8Y203 F204 I261 L375 L381 K384Y203-L379 HydrophobicContact CD1-CD1 4.25Å; F204-L379 HydrophobicContact CD1-CD2 3.99Å; F204-L379 HydrophobicContact CE1-CD2 3.74Å; F204-L379 HydrophobicContact CG-CD2 4.5Å; F204-L379 HydrophobicContact CZ-CD2 4.01Å; I261-L379 HydrophobicContact CD1-CD1 4.36Å; I261-L379 HydrophobicContact CG1-CD1 4.13Å; I261-L379 HydrophobicContact CG2-CD1 4.21Å; L375-L379 HydrophobicContact CD2-CD1 4.18Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 PolarHBondContact O-N 3.13Å; L379-L381 VanDerWaalsContact C-N 3.33Å; L379-L381 HydrophobicContact CB-CD2 3.66Å; L379-L381 HydrophobicContact CB-CG 4Å; L379-L381 HydrophobicContact CD1-CD2 4.27Å; L379-L381 PolarHBondContact O-N 2.6Å; L379-K384 WeakPolarHBondContact O-CE 3.38Å; L379-K384 PolarHBondContact O-NZ 3.35Å
380G91Very high92.6Very high33 Ų3348.8 Ų48.834%0.3425%0.249SC..THydrogen-bonded Turntrans6040.1-177.300000112.6S376 R382 Y383 K384S376-G380 WeakPolarHBondContact O-CA 3.31Å; S376-G380 PolarHBondContact O-N 3.37Å; G380-R382 VanDerWaalsContact C-N 3.34Å; G380-R382 PolarHBondContact O-N 3.05Å; G380-Y383 PolarHBondContact O-N 3.4Å; G380-K384 PolarHBondContact O-N 2.77Å
381L93.7Very high92.2Very high2 Ų245.3 Ų45.31%0.0123%0.232CC..Hα-helixtrans-63.9-39.3-171.8-58.9-176.9000112I260 S264 V288 S376 L379 Y383 K384 F385I260-L381 HydrophobicContact CG2-CD1 4.28Å; S264-L381 WeakPolarHBondContact OG-CD2 3.23Å; V288-L381 HydrophobicContact CG1-CB 3.64Å; S376-L381 PolarHBondContact O-N 3.16Å; S376-L381 VanDerWaalsContact O-N 3.12Å; L379-L381 VanDerWaalsContact C-N 3.33Å; L379-L381 HydrophobicContact CB-CD2 3.66Å; L379-L381 HydrophobicContact CB-CG 4Å; L379-L381 HydrophobicContact CD1-CD2 4.27Å; L379-L381 PolarHBondContact O-N 2.6Å; L381-Y383 PolarHBondContact O-N 3.26Å; L381-K384 PolarHBondContact O-N 2.89Å; L381-F385 HydrophobicContact CB-CE2 4.25Å; L381-F385 WeakPolarHBondContact O-CD2 3.22Å; L381-F385 PolarHBondContact O-N 2.95Å
382R91.5Very high91.9Very high12 Ų1243.4 Ų43.45%0.04522%0.224CC..Hα-helixtrans-53.9-53.5176.1-174.6-177.9-166.7-165.83.1111.7V288 I289 E291 G380 K384 F385 C386 W409V288-R382 WeakPolarHBondContact O-CG 3.39Å; I289-R382 PolarHBondContact O-NE 2.8Å; E291-R382 IonicContact OE2-CZ 2.63Å; E291-R382 IonicContact OE2-NE 2.82Å; E291-R382 IonicContact OE2-NH1 2.7Å; E291-R382 PolarHBondContact OE2-NH1 2.77Å; G380-R382 VanDerWaalsContact C-N 3.34Å; G380-R382 PolarHBondContact O-N 3.05Å; R382-K384 VanDerWaalsContact C-N 3.31Å; R382-K384 PolarHBondContact O-N 3.04Å; R382-F385 PolarHBondContact O-N 3.3Å; R382-C386 WeakPolarHBondContact O-CB 3.38Å; R382-C386 PolarHBondContact O-N 2.98Å; R382-C386 PolarHBondContact O-SG 3.42Å; R382-W409 PolarHBondContact NH2-O 2.53Å
383Y88.7Confident91.6Very high120 Ų12043.2 Ų43.247%0.47122%0.223SC..Hα-helixtrans-55.4-47177.7175.8-88.9000111.3G380 L381 F385 C386 A387 N417 L423G380-Y383 PolarHBondContact O-N 3.4Å; L381-Y383 PolarHBondContact O-N 3.26Å; Y383-F385 PolarHBondContact O-N 3.44Å; Y383-C386 PolarHBondContact O-N 3.27Å; Y383-A387 HydrophobicContact CE1-CB 4.31Å; Y383-A387 WeakPolarHBondContact O-CB 3.49Å; Y383-A387 PolarHBondContact O-N 3.43Å; Y383-N417 WeakPolarHBondContact CD2-OD1 3.25Å; Y383-L423 HydrophobicContact CD2-CD1 3.87Å; Y383-L423 HydrophobicContact CD2-CD2 3.74Å; Y383-L423 HydrophobicContact CD2-CG 4.26Å; Y383-L423 HydrophobicContact CE2-CD1 4.15Å; Y383-L423 HydrophobicContact CE2-CD2 3.7Å; Y383-L423 HydrophobicContact CE2-CG 4.15Å; Y383-L423 HydrophobicContact CG-CD2 4.44Å
384K90.8Very high91.3Very high60 Ų6042.2 Ų42.226%0.26122%0.216SC..Hα-helixtrans-62.8-40-178.9-70.5173.8179.3162.50113L379 G380 L381 R382 S388L379-K384 WeakPolarHBondContact O-CE 3.38Å; L379-K384 PolarHBondContact O-NZ 3.35Å; G380-K384 PolarHBondContact O-N 2.77Å; L381-K384 PolarHBondContact O-N 2.89Å; R382-K384 VanDerWaalsContact C-N 3.31Å; R382-K384 PolarHBondContact O-N 3.04Å; K384-S388 PolarHBondContact O-N 3.04Å
385F93.6Very high90.8Very high0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-70.1-45.6175.2-67.7-45000112.1I260 S263 M285 V288 I289 L381 R382 Y383 A387 S388 F393I260-F385 HydrophobicContact CG2-CE2 4.32Å; I260-F385 HydrophobicContact CG2-CZ 4.24Å; S263-F385 WeakPolarHBondContact OG-CE1 3.17Å; S263-F385 WeakPolarHBondContact OG-CZ 3.36Å; M285-F385 HydrophobicContact CE-CD1 3.98Å; M285-F385 HydrophobicContact CE-CE1 3.76Å; M285-F385 HydrophobicContact CE-CZ 4.36Å; M285-F385 HydrophobicContact CG-CE1 4.47Å; M285-F385 HydrophobicContact CG-CZ 4.15Å; V288-F385 HydrophobicContact CB-CD2 4.05Å; V288-F385 HydrophobicContact CB-CE2 3.94Å; V288-F385 HydrophobicContact CG1-CD2 3.61Å; V288-F385 HydrophobicContact CG1-CE2 3.66Å; V288-F385 HydrophobicContact CG2-CE2 4.45Å; I289-F385 HydrophobicContact CD1-CB 4.01Å; I289-F385 HydrophobicContact CG1-CB 3.51Å; I289-F385 HydrophobicContact CG1-CD2 4.17Å; I289-F385 HydrophobicContact CG1-CG 4.16Å; L381-F385 HydrophobicContact CB-CE2 4.25Å; L381-F385 WeakPolarHBondContact O-CD2 3.22Å; L381-F385 PolarHBondContact O-N 2.95Å; R382-F385 PolarHBondContact O-N 3.3Å; Y383-F385 PolarHBondContact O-N 3.44Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 2.73Å; F385-S388 WeakPolarHBondContact O-CB 3.43Å; F385-S388 PolarHBondContact O-N 3.47Å; F385-S388 VanDerWaalsContact O-N 3.11Å; F385-F393 HydrophobicContact CB-CD2 4.45Å; F385-F393 HydrophobicContact CD1-CD2 4.34Å; F385-F393 HydrophobicContact CD1-CE2 4.26Å
386C90.1Very high90.5Very high1 Ų142.8 Ų42.81%0.00722%0.219CC..Hα-helixtrans-64.5-29.5178.3-67.40000113.2R382 Y383 S388 R389 L394 L423R382-C386 WeakPolarHBondContact O-CB 3.38Å; R382-C386 PolarHBondContact O-N 2.98Å; R382-C386 PolarHBondContact O-SG 3.42Å; Y383-C386 PolarHBondContact O-N 3.27Å; C386-S388 VanDerWaalsContact C-N 3.29Å; C386-R389 PolarHBondContact O-NH1 3.46Å; C386-R389 PolarHBondContact O-NH2 2.79Å; C386-L394 HydrophobicContact CB-CD2 4.21Å; C386-L423 HydrophobicContact CB-CD2 3.96Å
387A87.7Confident90.3Very high40 Ų4042.6 Ų42.633%0.33122%0.218SC..THydrogen-bonded Turntrans-79.3-10.6176.800000113.2Y383 F385 R389 L423Y383-A387 HydrophobicContact CE1-CB 4.31Å; Y383-A387 WeakPolarHBondContact O-CB 3.49Å; Y383-A387 PolarHBondContact O-N 3.43Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 2.73Å; A387-R389 PolarHBondContact O-N 3.34Å; A387-L423 HydrophobicContact CB-CD2 3.97Å
388S89.6Confident89.9Confident12 Ų1236 Ų368%0.08419%0.19CC..  trans-74.2128.7177.9-158.70000111P267 K384 F385 C386 P391 D392P267-S388 VanDerWaalsContact CB-OG 3.24Å; P267-S388 WeakPolarHBondContact CB-OG 3.2Å; K384-S388 PolarHBondContact O-N 3.04Å; F385-S388 WeakPolarHBondContact O-CB 3.43Å; F385-S388 PolarHBondContact O-N 3.47Å; F385-S388 VanDerWaalsContact O-N 3.11Å; C386-S388 VanDerWaalsContact C-N 3.29Å; S388-P391 CarbonylContact C-O 3.48Å; S388-P391 PolarHBondContact OG-O 3.29Å; S388-D392 WeakPolarHBondContact O-CA 3.28Å
389R85.7Confident89.4Confident109 Ų10937.8 Ų37.841%0.41120%0.198SC..  trans-111.6-1.7175.4-58.6-65.6172.1-112.3-9.8112.9C386 A387 D392 N422 L423C386-R389 PolarHBondContact O-NH1 3.46Å; C386-R389 PolarHBondContact O-NH2 2.79Å; A387-R389 PolarHBondContact O-N 3.34Å; R389-D392 WeakPolarHBondContact CD-OD2 3.48Å; R389-D392 IonicContact NE-OD2 3.19Å; R389-D392 IonicContact NH1-OD1 2.62Å; R389-D392 IonicContact NH1-OD2 3.4Å; R389-D392 PolarHBondContact NH1-OD2 3.03Å; R389-N422 PolarHBondContact NH2-O 2.88Å; R389-L423 PolarHBondContact NH2-O 3.18Å
390S83.7Confident89.1Confident66 Ų6641.6 Ų41.646%0.46221%0.211SC..THydrogen-bonded Turntrans-147.492.5-179.7-173.90000109.3Q268Q268-S390 WeakPolarHBondContact CG-O 3.41Å
391P90.4Very high88.6Confident24 Ų2441 Ų4116%0.15620%0.199CC..THydrogen-bonded Turncis-71.3160.1-10.935-37.7000112P267 A272 S388 F393P267-P391 WeakPolarHBondContact O-CD 3.5Å; A272-P391 HydrophobicContact CB-CG 4.24Å; S388-P391 CarbonylContact C-O 3.48Å; S388-P391 PolarHBondContact OG-O 3.29Å; P391-F393 HydrophobicContact CB-CE1 4.37Å; P391-F393 HydrophobicContact CG-CD1 3.79Å; P391-F393 HydrophobicContact CG-CE1 3.2Å; P391-F393 HydrophobicContact CG-CE2 4.27Å; P391-F393 HydrophobicContact CG-CZ 3.46Å; P391-F393 VanDerWaalsContact CG-CZ 3.46Å; P391-F393 PolarHBondContact O-N 3.34Å
392D89.9Confident87.4Confident36 Ų3642.4 Ų42.419%0.19321%0.214CC..  trans-87.687.4173.7-161.7-32.5000110.4S388 R389 L394 L395 D396S388-D392 WeakPolarHBondContact O-CA 3.28Å; R389-D392 WeakPolarHBondContact CD-OD2 3.48Å; R389-D392 IonicContact NE-OD2 3.19Å; R389-D392 IonicContact NH1-OD1 2.62Å; R389-D392 IonicContact NH1-OD2 3.4Å; R389-D392 PolarHBondContact NH1-OD2 3.03Å; D392-L394 PolarHBondContact O-N 2.91Å; D392-L394 PolarHBondContact OD1-N 3.11Å; D392-L395 HydrophobicContact CB-CB 3.92Å; D392-L395 VanDerWaalsContact CG-CB 3.42Å; D392-L395 WeakPolarHBondContact OD1-CB 3.48Å; D392-L395 PolarHBondContact OD1-N 3.43Å; D392-D396 PolarHBondContact O-N 3.26Å
393F93.4Very high86.3Confident0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-62.3-35.1-178.3-53.6-63.3000112.1P267 W275 M285 I289 F385 P391 I397P267-F393 HydrophobicContact CB-CE2 3.92Å; P267-F393 HydrophobicContact CB-CZ 4.28Å; W275-F393 HydrophobicContact CB-CD1 4.12Å; W275-F393 HydrophobicContact CB-CE1 3.73Å; W275-F393 AromaticContact CD2-CD1 3.37Å; W275-F393 HydrophobicContact CD2-CD1 3.37Å; W275-F393 AromaticContact CD2-CE1 3.92Å; W275-F393 HydrophobicContact CD2-CE1 3.92Å; W275-F393 HydrophobicContact CD2-CG 4.37Å; W275-F393 AromaticContact CE2-CD1 3.78Å; W275-F393 HydrophobicContact CE3-CB 4.49Å; W275-F393 AromaticContact CE3-CD1 3.6Å; W275-F393 HydrophobicContact CE3-CD1 3.6Å; W275-F393 HydrophobicContact CE3-CE1 4.13Å; W275-F393 HydrophobicContact CE3-CG 4.31Å; W275-F393 AromaticContact CG-CD1 3.64Å; W275-F393 HydrophobicContact CG-CD1 3.64Å; W275-F393 AromaticContact CG-CE1 3.77Å; W275-F393 HydrophobicContact CG-CE1 3.77Å; W275-F393 HydrophobicContact CH2-CB 4.05Å; W275-F393 HydrophobicContact CZ2-CB 4.1Å; W275-F393 HydrophobicContact CZ2-CD1 4.33Å; W275-F393 HydrophobicContact CZ3-CB 4.24Å; W275-F393 HydrophobicContact CZ3-CD1 4.18Å; W275-F393 HydrophobicContact CZ3-CG 4.49Å; M285-F393 HydrophobicContact CE-CD1 3.98Å; M285-F393 HydrophobicContact CE-CD2 4.23Å; M285-F393 HydrophobicContact CE-CE1 3.57Å; M285-F393 HydrophobicContact CE-CE2 3.89Å; M285-F393 HydrophobicContact CE-CG 4.28Å; M285-F393 HydrophobicContact CE-CZ 3.55Å; I289-F393 HydrophobicContact CD1-CB 3.61Å; I289-F393 HydrophobicContact CD1-CG 4.45Å; F385-F393 HydrophobicContact CB-CD2 4.45Å; F385-F393 HydrophobicContact CD1-CD2 4.34Å; F385-F393 HydrophobicContact CD1-CE2 4.26Å; P391-F393 HydrophobicContact CB-CE1 4.37Å; P391-F393 HydrophobicContact CG-CD1 3.79Å; P391-F393 HydrophobicContact CG-CE1 3.2Å; P391-F393 HydrophobicContact CG-CE2 4.27Å; P391-F393 HydrophobicContact CG-CZ 3.46Å; P391-F393 VanDerWaalsContact CG-CZ 3.46Å; P391-F393 PolarHBondContact O-N 3.34Å; F393-I397 WeakPolarHBondContact O-CG1 3.48Å; F393-I397 PolarHBondContact O-N 3.25Å
394L90.5Very high85.4Confident0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-70.6-47.8-177.1179.864.5000110.5I289 C386 D392 D396 I397 I398 W409 L410 I413 L423 L424I289-L394 HydrophobicContact CG2-CD1 3.9Å; C386-L394 HydrophobicContact CB-CD2 4.21Å; D392-L394 PolarHBondContact O-N 2.91Å; D392-L394 PolarHBondContact OD1-N 3.11Å; L394-D396 VanDerWaalsContact C-N 3.3Å; L394-D396 PolarHBondContact O-N 3.35Å; L394-I397 PolarHBondContact O-N 2.85Å; L394-I398 HydrophobicContact CD1-CD1 4.15Å; L394-I398 HydrophobicContact CG-CD1 3.85Å; L394-I398 VanDerWaalsContact O-CG1 3.3Å; L394-I398 WeakPolarHBondContact O-CG1 3.47Å; L394-I398 PolarHBondContact O-N 3.21Å; L394-I398 VanDerWaalsContact O-N 3.08Å; L394-W409 HydrophobicContact CD1-CH2 3.56Å; L394-W409 HydrophobicContact CD1-CZ3 3.77Å; L394-L410 HydrophobicContact CD1-CD2 4.01Å; L394-I413 HydrophobicContact CD1-CD1 4.1Å; L394-L423 VanDerWaalsContact CD2-O 3.28Å; L394-L423 WeakPolarHBondContact CD2-O 3.06Å; L394-L424 HydrophobicContact CD2-CD2 4.15Å
395L86.5Confident84.7Confident57 Ų5745.7 Ų45.730%0.29824%0.244SC..Hα-helixtrans-59.9-41.6177.6-175.363.7000111.4D392 I397 I398 E399 P425D392-L395 HydrophobicContact CB-CB 3.92Å; D392-L395 VanDerWaalsContact CG-CB 3.42Å; D392-L395 WeakPolarHBondContact OD1-CB 3.48Å; D392-L395 PolarHBondContact OD1-N 3.43Å; L395-I397 VanDerWaalsContact C-N 3.32Å; L395-I397 PolarHBondContact O-N 2.71Å; L395-I398 PolarHBondContact O-N 3.31Å; L395-I398 VanDerWaalsContact O-N 3.15Å; L395-E399 HydrophobicContact CD1-CG 4.2Å; L395-E399 HydrophobicContact CG-CG 4.25Å; L395-E399 WeakPolarHBondContact O-CB 3.33Å; L395-E399 WeakPolarHBondContact O-CG 3.39Å; L395-E399 PolarHBondContact O-N 3.04Å; L395-P425 HydrophobicContact CD1-CB 4.45Å; L395-P425 HydrophobicContact CD1-CG 3.92Å
396D89.1Confident84Confident55 Ų5545.7 Ų45.729%0.29424%0.244SC..Hα-helixtrans-58.7-39.8176.9179.578.5000112.9W275 D392 L394 R400W275-D396 HydrophobicContact CZ2-CB 4.28Å; W275-D396 WeakPolarHBondContact CZ2-OD2 3.35Å; W275-D396 PolarHBondContact NE1-OD2 3.36Å; W275-D396 VanDerWaalsContact NE1-OD2 3.15Å; D392-D396 PolarHBondContact O-N 3.26Å; L394-D396 VanDerWaalsContact C-N 3.3Å; L394-D396 PolarHBondContact O-N 3.35Å; D396-R400 WeakPolarHBondContact O-CB 3.48Å; D396-R400 WeakPolarHBondContact O-CG 3.31Å; D396-R400 PolarHBondContact O-N 3.46Å; D396-R400 VanDerWaalsContact O-N 3.16Å; D396-R400 PolarHBondContact O-NE 3.24Å; D396-R400 IonicContact OD2-CZ 2.65Å; D396-R400 IonicContact OD2-NE 2.71Å; D396-R400 PolarHBondContact OD2-NE 2.65Å; D396-R400 IonicContact OD2-NH2 3.78Å; D396-R400 PolarHBondContact OD2-NH2 2.89Å
397I90.2Very high83.4Confident0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-67.6-45175.4-61160.3000110.5W275 E286 I289 V290 T299 F393 L394 L395 E399 R400 Q401 W409W275-I397 HydrophobicContact CH2-CD1 3.9Å; W275-I397 HydrophobicContact CH2-CG1 3.87Å; W275-I397 HydrophobicContact CZ2-CG1 4.06Å; E286-I397 HydrophobicContact CG-CD1 3.9Å; E286-I397 HydrophobicContact CG-CG1 4.07Å; I289-I397 HydrophobicContact CB-CD1 3.91Å; I289-I397 HydrophobicContact CD1-CD1 3.78Å; I289-I397 HydrophobicContact CG1-CD1 4.45Å; I289-I397 HydrophobicContact CG2-CD1 3.5Å; I289-I397 VanDerWaalsContact CG2-CD1 3.5Å; V290-I397 HydrophobicContact CG2-CD1 4.43Å; T299-I397 HydrophobicContact CG2-CG2 4.23Å; F393-I397 WeakPolarHBondContact O-CG1 3.48Å; F393-I397 PolarHBondContact O-N 3.25Å; L394-I397 PolarHBondContact O-N 2.85Å; L395-I397 VanDerWaalsContact C-N 3.32Å; L395-I397 PolarHBondContact O-N 2.71Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.35Å; I397-R400 PolarHBondContact O-N 3.22Å; I397-Q401 PolarHBondContact O-N 3.45Å; I397-Q401 VanDerWaalsContact O-N 3.16Å; I397-W409 HydrophobicContact CG2-CH2 4.1Å; I397-W409 HydrophobicContact CG2-CZ2 3.7Å
398I84.7Confident83.1Confident9 Ų948.2 Ų48.25%0.04626%0.256CS..Hα-helixtrans-63.1-41.9-178.1-65.1168.6000110.7L394 L395 G402 W409 L410 P425L394-I398 HydrophobicContact CD1-CD1 4.15Å; L394-I398 HydrophobicContact CG-CD1 3.85Å; L394-I398 VanDerWaalsContact O-CG1 3.3Å; L394-I398 WeakPolarHBondContact O-CG1 3.47Å; L394-I398 PolarHBondContact O-N 3.21Å; L394-I398 VanDerWaalsContact O-N 3.08Å; L395-I398 PolarHBondContact O-N 3.31Å; L395-I398 VanDerWaalsContact O-N 3.15Å; I398-G402 WeakPolarHBondContact O-CA 3.37Å; I398-G402 PolarHBondContact O-N 2.99Å; I398-W409 HydrophobicContact CG1-CH2 4.36Å; I398-W409 HydrophobicContact CG1-CZ2 4.36Å; I398-L410 HydrophobicContact CD1-CD1 4.03Å; I398-L410 HydrophobicContact CD1-CD2 3.94Å; I398-L410 HydrophobicContact CG1-CD1 4.18Å; I398-L410 HydrophobicContact CG1-CD2 4.3Å; I398-P425 HydrophobicContact CD1-CG 4.5Å
399E83.7Confident82.9Confident139 Ų13947.8 Ų47.865%0.6525%0.253SS*.Hα-helixtrans-65.9-37177.1-73.2-178.9172.300112.2L395 I397L395-E399 HydrophobicContact CD1-CG 4.2Å; L395-E399 HydrophobicContact CG-CG 4.25Å; L395-E399 WeakPolarHBondContact O-CB 3.33Å; L395-E399 WeakPolarHBondContact O-CG 3.39Å; L395-E399 PolarHBondContact O-N 3.04Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.35Å
400R85.7Confident82.8Confident98 Ų9842.6 Ų42.637%0.3723%0.233SC..Hα-helixtrans-67.5-38.6177.8-79.9-172.8-77.2132.4-8.7113.8H282 E286 D396 I397H282-R400 PolarHBondContact NE2-NH2 3.38Å; E286-R400 IonicContact OE1-CZ 3.52Å; E286-R400 IonicContact OE1-NH1 2.8Å; E286-R400 PolarHBondContact OE1-NH1 3.16Å; E286-R400 IonicContact OE1-NH2 3.69Å; E286-R400 IonicContact OE2-CZ 3.07Å; E286-R400 IonicContact OE2-NH1 3.8Å; E286-R400 PolarHBondContact OE2-NH1 3.41Å; E286-R400 IonicContact OE2-NH2 3.59Å; E286-R400 PolarHBondContact OE2-NH2 3.48Å; D396-R400 WeakPolarHBondContact O-CB 3.48Å; D396-R400 WeakPolarHBondContact O-CG 3.31Å; D396-R400 PolarHBondContact O-N 3.46Å; D396-R400 VanDerWaalsContact O-N 3.16Å; D396-R400 PolarHBondContact O-NE 3.24Å; D396-R400 IonicContact OD2-CZ 2.65Å; D396-R400 IonicContact OD2-NE 2.71Å; D396-R400 PolarHBondContact OD2-NE 2.65Å; D396-R400 IonicContact OD2-NH2 3.78Å; D396-R400 PolarHBondContact OD2-NH2 2.89Å; I397-R400 PolarHBondContact O-N 3.22Å
401Q80.4Confident82.7Confident20 Ų2040.3 Ų40.39%0.09322%0.217CC..Hα-helixtrans-90.1-28.9-178.8-59.5-167.3-71.300113.8T299 I397 Q405 S406T299-Q401 VanDerWaalsContact CA-NE2 3.34Å; I397-Q401 PolarHBondContact O-N 3.45Å; I397-Q401 VanDerWaalsContact O-N 3.16Å; Q401-Q405 HydrophobicContact CB-CB 4.26Å; Q401-S406 PolarHBondContact OE1-OG 3.42Å
402G70.5Confident82.3Confident32 Ų3241.8 Ų41.833%0.3322%0.224SC..  trans86.1138.5-166.400000112.4I398 L404 Q405 S406I398-G402 WeakPolarHBondContact O-CA 3.37Å; I398-G402 PolarHBondContact O-N 2.99Å; G402-L404 VanDerWaalsContact C-N 3.31Å; G402-L404 PolarHBondContact O-N 3.32Å; G402-L404 VanDerWaalsContact O-N 3.09Å; G402-Q405 PolarHBondContact O-N 2.81Å; G402-S406 PolarHBondContact O-N 3.29Å; G402-S406 PolarHBondContact O-OG 3.47Å
403A68.4Low82Confident32 Ų3240 Ų4026%0.26421%0.214SC..Hα-helixtrans-48.4-45-169.100000114.6Q405 S406 L407A403-Q405 PolarHBondContact O-N 3.12Å; A403-S406 PolarHBondContact O-N 3.38Å; A403-S406 VanDerWaalsContact O-N 3.14Å; A403-L407 WeakPolarHBondContact O-CG 3.36Å; A403-L407 PolarHBondContact O-N 3.27Å
404L68.8Low81.4Confident110 Ų11040 Ų4058%0.57621%0.214SC*.Hα-helixtrans-63.6-37.6-177.9-71.9171.2000113.3G402 S406 L407 E431G402-L404 VanDerWaalsContact C-N 3.31Å; G402-L404 PolarHBondContact O-N 3.32Å; G402-L404 VanDerWaalsContact O-N 3.09Å; L404-S406 VanDerWaalsContact C-N 3.28Å; L404-L407 HydrophobicContact CD2-CD1 4.07Å; L404-E431 WeakPolarHBondContact CD2-OE1 3.36Å
405Q75.8Confident80.9Confident120 Ų12044.4 Ų44.456%0.56123%0.233SC*.Hα-helixtrans-74.1-24177.6-65.9-171.813.200111.9Q401 G402 A403 P408Q401-Q405 HydrophobicContact CB-CB 4.26Å; G402-Q405 PolarHBondContact O-N 2.81Å; A403-Q405 PolarHBondContact O-N 3.12Å; Q405-P408 WeakPolarHBondContact O-CD 3.49Å
406S79.2Confident80.5Confident0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-82-25.2179.1-53.10000113.8Q401 G402 A403 L404 W409 L410Q401-S406 PolarHBondContact OE1-OG 3.42Å; G402-S406 PolarHBondContact O-N 3.29Å; G402-S406 PolarHBondContact O-OG 3.47Å; A403-S406 PolarHBondContact O-N 3.38Å; A403-S406 VanDerWaalsContact O-N 3.14Å; L404-S406 VanDerWaalsContact C-N 3.28Å; S406-W409 VanDerWaalsContact O-CD1 3.31Å; S406-W409 PolarHBondContact O-N 3.16Å; S406-W409 PolarHBondContact O-NE1 3.17Å; S406-L410 WeakPolarHBondContact O-CB 3.44Å; S406-L410 WeakPolarHBondContact O-CG 3.29Å; S406-L410 PolarHBondContact O-N 3.15Å
407L78.5Confident79.9Confident10 Ų1044.9 Ų44.95%0.05223%0.233CC..Hα-helixtrans-48.8-42.5-176.7-72176.4000115.4A403 L404 W409 L410 S411 E431 F432 N435A403-L407 WeakPolarHBondContact O-CG 3.36Å; A403-L407 PolarHBondContact O-N 3.27Å; L404-L407 HydrophobicContact CD2-CD1 4.07Å; L407-W409 PolarHBondContact O-N 3.35Å; L407-L410 PolarHBondContact O-N 3.37Å; L407-S411 WeakPolarHBondContact O-CB 3.33Å; L407-S411 PolarHBondContact O-N 2.98Å; L407-E431 HydrophobicContact CD1-CG 3.99Å; L407-E431 HydrophobicContact CD2-CB 4.36Å; L407-E431 HydrophobicContact CD2-CG 4Å; L407-E431 HydrophobicContact CG-CG 4.4Å; L407-F432 HydrophobicContact CD2-CD1 4.22Å; L407-F432 HydrophobicContact CD2-CD2 4.03Å; L407-F432 HydrophobicContact CD2-CE1 3.95Å; L407-F432 HydrophobicContact CD2-CE2 3.74Å; L407-F432 HydrophobicContact CD2-CG 4.24Å; L407-F432 HydrophobicContact CD2-CZ 3.69Å; L407-N435 WeakPolarHBondContact CD1-ND2 3.34Å
408P81.3Confident79.1Confident83 Ų8351.3 Ų51.354%0.53927%0.267SS..Hα-helixtrans-59.2-49.8-176.8-25.936000113.3Q405 S411Q405-P408 WeakPolarHBondContact O-CD 3.49Å; P408-S411 WeakPolarHBondContact O-CB 3.44Å; P408-S411 PolarHBondContact O-N 3.24Å; P408-S411 PolarHBondContact O-OG 3.44Å
409W84.1Confident78.7Confident3 Ų354.3 Ų54.31%0.01128%0.283CS..Hα-helixtrans-81.5-26.8-17966.4-99.7000112.5I289 V290 F298 R382 L394 I397 I398 S406 L407 S411 D412 I413I289-W409 HydrophobicContact CG2-CZ3 4.26Å; V290-W409 HydrophobicContact CB-CD2 4.43Å; V290-W409 HydrophobicContact CB-CE3 4.3Å; V290-W409 HydrophobicContact CG1-CB 3.88Å; V290-W409 HydrophobicContact CG1-CD2 3.82Å; V290-W409 HydrophobicContact CG1-CE3 4.1Å; V290-W409 HydrophobicContact CG1-CG 3.72Å; V290-W409 HydrophobicContact CG2-CD2 4.25Å; V290-W409 HydrophobicContact CG2-CE3 4.18Å; V290-W409 HydrophobicContact CG2-CH2 4.34Å; V290-W409 HydrophobicContact CG2-CZ2 4.41Å; V290-W409 HydrophobicContact CG2-CZ3 4.2Å; F298-W409 HydrophobicContact CZ-CB 4.42Å; F298-W409 AromaticContact CZ-CD1 3.65Å; F298-W409 HydrophobicContact CZ-CG 4.18Å; R382-W409 PolarHBondContact NH2-O 2.53Å; L394-W409 HydrophobicContact CD1-CH2 3.56Å; L394-W409 HydrophobicContact CD1-CZ3 3.77Å; I397-W409 HydrophobicContact CG2-CH2 4.1Å; I397-W409 HydrophobicContact CG2-CZ2 3.7Å; I398-W409 HydrophobicContact CG1-CH2 4.36Å; I398-W409 HydrophobicContact CG1-CZ2 4.36Å; S406-W409 VanDerWaalsContact O-CD1 3.31Å; S406-W409 PolarHBondContact O-N 3.16Å; S406-W409 PolarHBondContact O-NE1 3.17Å; L407-W409 PolarHBondContact O-N 3.35Å; W409-S411 PolarHBondContact O-N 3.46Å; W409-D412 PolarHBondContact O-N 3.37Å; W409-I413 HydrophobicContact CE3-CD1 4.41Å; W409-I413 HydrophobicContact CZ3-CD1 3.96Å
410L84.1Confident78.2Confident1 Ų147.8 Ų47.81%0.00525%0.253CS..Hα-helixtrans-63.1-32.7168.9-71.1176.1000111.4L394 I398 S406 L407 D412 I413 I414 L424 F432L394-L410 HydrophobicContact CD1-CD2 4.01Å; I398-L410 HydrophobicContact CD1-CD1 4.03Å; I398-L410 HydrophobicContact CD1-CD2 3.94Å; I398-L410 HydrophobicContact CG1-CD1 4.18Å; I398-L410 HydrophobicContact CG1-CD2 4.3Å; S406-L410 WeakPolarHBondContact O-CB 3.44Å; S406-L410 WeakPolarHBondContact O-CG 3.29Å; S406-L410 PolarHBondContact O-N 3.15Å; L407-L410 PolarHBondContact O-N 3.37Å; L410-D412 PolarHBondContact O-N 2.96Å; L410-I413 HydrophobicContact CD2-CD1 3.76Å; L410-I413 VanDerWaalsContact O-CB 3.28Å; L410-I413 WeakPolarHBondContact O-CB 3.4Å; L410-I413 PolarHBondContact O-N 3.09Å; L410-I414 PolarHBondContact O-N 3.13Å; L410-L424 HydrophobicContact CD2-CD2 3.8Å; L410-F432 HydrophobicContact CB-CE2 3.73Å; L410-F432 HydrophobicContact CB-CZ 3.54Å; L410-F432 HydrophobicContact CD1-CE2 4.34Å
411S81.4Confident77.6Confident17 Ų1744.5 Ų44.512%0.11924%0.242CC..Hα-helixtrans-60.4-31.2176.682.90000111.9L407 P408 W409 I413 I414 K415L407-S411 WeakPolarHBondContact O-CB 3.33Å; L407-S411 PolarHBondContact O-N 2.98Å; P408-S411 WeakPolarHBondContact O-CB 3.44Å; P408-S411 PolarHBondContact O-N 3.24Å; P408-S411 PolarHBondContact O-OG 3.44Å; W409-S411 PolarHBondContact O-N 3.46Å; S411-I413 VanDerWaalsContact C-N 3.34Å; S411-I414 WeakPolarHBondContact O-CB 3.42Å; S411-I414 PolarHBondContact O-N 2.84Å; S411-K415 WeakPolarHBondContact O-CG 3.47Å; S411-K415 PolarHBondContact O-N 3.07Å; S411-K415 PolarHBondContact OG-NZ 3Å; S411-K415 VanDerWaalsContact OG-NZ 3.16Å
412D83Confident77.5Confident55 Ų5548.5 Ų48.529%0.29426%0.264SS..Hα-helixtrans-73.6-26.6177.3-62.6-29.9000112.1W409 L410 I414 K415 Q416W409-D412 PolarHBondContact O-N 3.37Å; L410-D412 PolarHBondContact O-N 2.96Å; D412-I414 VanDerWaalsContact C-N 3.33Å; D412-K415 PolarHBondContact O-N 3.29Å; D412-K415 IonicContact OD1-NZ 3.65Å; D412-K415 PolarHBondContact OD1-NZ 2.97Å; D412-Q416 WeakPolarHBondContact O-CB 3.3Å; D412-Q416 VanDerWaalsContact O-CG 3.29Å; D412-Q416 WeakPolarHBondContact O-CG 3.43Å; D412-Q416 PolarHBondContact O-N 3.23Å; D412-Q416 VanDerWaalsContact O-N 3.14Å
413I82.5Confident77.9Confident0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-61.5-46.7168.7-57.9-177.7000109.1L394 W409 L410 S411 K415 Q416 N417 L423 L424L394-I413 HydrophobicContact CD1-CD1 4.1Å; W409-I413 HydrophobicContact CE3-CD1 4.41Å; W409-I413 HydrophobicContact CZ3-CD1 3.96Å; L410-I413 HydrophobicContact CD2-CD1 3.76Å; L410-I413 VanDerWaalsContact O-CB 3.28Å; L410-I413 WeakPolarHBondContact O-CB 3.4Å; L410-I413 PolarHBondContact O-N 3.09Å; S411-I413 VanDerWaalsContact C-N 3.34Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.14Å; I413-Q416 PolarHBondContact O-N 2.98Å; I413-N417 WeakPolarHBondContact CG2-ND2 3.28Å; I413-N417 WeakPolarHBondContact O-CB 3Å; I413-N417 PolarHBondContact O-N 3.12Å; I413-N417 VanDerWaalsContact O-N 3.07Å; I413-N417 PolarHBondContact O-ND2 3.45Å; I413-L423 HydrophobicContact CG2-CB 4.33Å; I413-L423 HydrophobicContact CG2-CD1 3.78Å; I413-L424 HydrophobicContact CD1-CD2 4.3Å
414I80.2Confident78.7Confident0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-62.4-42.1178.9-58.9174.5000110.9L410 S411 D412 Q416 P420 L424 F432 Y472 R475 L476 M479L410-I414 PolarHBondContact O-N 3.13Å; S411-I414 WeakPolarHBondContact O-CB 3.42Å; S411-I414 PolarHBondContact O-N 2.84Å; D412-I414 VanDerWaalsContact C-N 3.33Å; I414-Q416 VanDerWaalsContact C-N 3.3Å; I414-Q416 PolarHBondContact O-N 3.29Å; I414-P420 HydrophobicContact CB-CB 4.27Å; I414-P420 HydrophobicContact CG1-CB 3.92Å; I414-P420 HydrophobicContact CG1-CG 4.48Å; I414-P420 HydrophobicContact CG2-CB 4.4Å; I414-P420 HydrophobicContact CG2-CG 4.13Å; I414-L424 HydrophobicContact CD1-CD1 3.98Å; I414-L424 HydrophobicContact CG1-CD1 3.8Å; I414-F432 HydrophobicContact CD1-CB 4.38Å; I414-F432 HydrophobicContact CD1-CD1 3.61Å; I414-F432 HydrophobicContact CD1-CD2 3.56Å; I414-F432 HydrophobicContact CD1-CE1 3.67Å; I414-F432 HydrophobicContact CD1-CE2 3.63Å; I414-F432 HydrophobicContact CD1-CG 3.57Å; I414-F432 HydrophobicContact CD1-CZ 3.69Å; I414-Y472 HydrophobicContact CB-CD2 4.38Å; I414-Y472 HydrophobicContact CB-CE2 3.93Å; I414-Y472 HydrophobicContact CG2-CD2 3.86Å; I414-Y472 HydrophobicContact CG2-CE2 3.64Å; I414-R475 HydrophobicContact CG2-CB 4.15Å; I414-R475 WeakPolarHBondContact O-CD 3.24Å; I414-R475 PolarHBondContact O-NH1 2.71Å; I414-L476 HydrophobicContact CD1-CD2 4.25Å; I414-L476 HydrophobicContact CG2-CD2 4.35Å; I414-M479 HydrophobicContact CD1-CE 3.72Å; I414-M479 HydrophobicContact CG1-CE 4.02Å
415K80.2Confident79.2Confident91 Ų9141.5 Ų41.540%0.39622%0.216SC..Hα-helixtrans-69.9-18.9179.3-69.2172.9-153.6149.80114.9S411 D412 I413 Y472 R475S411-K415 WeakPolarHBondContact O-CG 3.47Å; S411-K415 PolarHBondContact O-N 3.07Å; S411-K415 PolarHBondContact OG-NZ 3Å; S411-K415 VanDerWaalsContact OG-NZ 3.16Å; D412-K415 PolarHBondContact O-N 3.29Å; D412-K415 IonicContact OD1-NZ 3.65Å; D412-K415 PolarHBondContact OD1-NZ 2.97Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.14Å; K415-Y472 HydrophobicContact CB-CD2 4.49Å; K415-Y472 HydrophobicContact CD-CD2 4.37Å; K415-Y472 HydrophobicContact CG-CD2 3.37Å; K415-Y472 HydrophobicContact CG-CE2 3.97Å; K415-Y472 HydrophobicContact CG-CG 3.99Å; K415-R475 PolarHBondContact O-NH1 3.09Å
416Q78.1Confident79.6Confident99 Ų9936.4 Ų36.446%0.46319%0.192SC..Hα-helixtrans-108.4-23.2-176.4-67.8177.29.600114.7E291 D412 I413 I414 R475E291-Q416 PolarHBondContact OE2-NE2 3.35Å; E291-Q416 PolarHBondContact OE2-OE1 2.8Å; D412-Q416 WeakPolarHBondContact O-CB 3.3Å; D412-Q416 VanDerWaalsContact O-CG 3.29Å; D412-Q416 WeakPolarHBondContact O-CG 3.43Å; D412-Q416 PolarHBondContact O-N 3.23Å; D412-Q416 VanDerWaalsContact O-N 3.14Å; I413-Q416 PolarHBondContact O-N 2.98Å; I414-Q416 VanDerWaalsContact C-N 3.3Å; I414-Q416 PolarHBondContact O-N 3.29Å; Q416-R475 VanDerWaalsContact C-NH1 3.34Å; Q416-R475 VanDerWaalsContact N-NH1 3.18Å
417N77.1Confident79.9Confident24 Ų2439.3 Ų39.313%0.12821%0.206CC..  trans-103.5139.1-176.8-62-82.5000111.3Y383 I413 D419 L423 R475Y383-N417 WeakPolarHBondContact CD2-OD1 3.25Å; I413-N417 WeakPolarHBondContact CG2-ND2 3.28Å; I413-N417 WeakPolarHBondContact O-CB 3Å; I413-N417 PolarHBondContact O-N 3.12Å; I413-N417 VanDerWaalsContact O-N 3.07Å; I413-N417 PolarHBondContact O-ND2 3.45Å; N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.41Å; N417-L423 HydrophobicContact CB-CD1 3.65Å; N417-R475 PolarHBondContact O-NH1 3.03Å
418D72.8Confident80.1Confident134 Ų13439.2 Ų39.272%0.71721%0.206SC*.SBendtrans-69.1-26.9179.3-66.2-33.8000112.4R475D418-R475 IonicContact OD1-NH2 3.34Å
419D76.1Confident80.4Confident72 Ų7235.3 Ų35.339%0.38518%0.181SC..  trans-133.280.4178.8-171.6-9.4000111N417 F421 N422N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.41Å; D419-F421 PolarHBondContact O-N 3.39Å; D419-F421 WeakPolarHBondContact OD1-CB 3.24Å; D419-F421 PolarHBondContact OD1-N 2.77Å; D419-N422 PolarHBondContact OD1-N 3.43Å; D419-N422 PolarHBondContact OD2-ND2 3.4Å
420P73.5Confident80.6Confident3 Ų335.1 Ų35.12%0.01918%0.18CC..SBendtrans-70-20.1179.628.3-33.7000113.1I414 N422 L423 L424 M479I414-P420 HydrophobicContact CB-CB 4.27Å; I414-P420 HydrophobicContact CG1-CB 3.92Å; I414-P420 HydrophobicContact CG1-CG 4.48Å; I414-P420 HydrophobicContact CG2-CB 4.4Å; I414-P420 HydrophobicContact CG2-CG 4.13Å; P420-N422 VanDerWaalsContact C-N 3.31Å; P420-N422 PolarHBondContact O-N 3.4Å; P420-L423 PolarHBondContact O-N 3.05Å; P420-L423 VanDerWaalsContact O-N 3.09Å; P420-L424 HydrophobicContact CB-CD1 4.48Å; P420-L424 PolarHBondContact O-N 3.33Å; P420-M479 HydrophobicContact CB-CE 4.08Å; P420-M479 HydrophobicContact CG-CE 3.97Å
421F74.7Confident80.7Confident29 Ų2935.2 Ų35.213%0.12718%0.18CC..THydrogen-bonded Turntrans-65.5-36.8-179.4-175.4-99.7000111.5D419 L423 I426 C429 M479 V483 I486D419-F421 PolarHBondContact O-N 3.39Å; D419-F421 WeakPolarHBondContact OD1-CB 3.24Å; D419-F421 PolarHBondContact OD1-N 2.77Å; F421-L423 PolarHBondContact O-N 3.43Å; F421-I426 HydrophobicContact CE2-CD1 4.4Å; F421-I426 HydrophobicContact CE2-CG1 4.4Å; F421-I426 HydrophobicContact CZ-CD1 4.26Å; F421-C429 HydrophobicContact CD2-CB 4.5Å; F421-M479 HydrophobicContact CD2-CG 4.5Å; F421-V483 HydrophobicContact CD2-CG2 4.25Å; F421-V483 HydrophobicContact CE2-CG2 3.73Å; F421-I486 HydrophobicContact CE1-CD1 3.66Å; F421-I486 HydrophobicContact CE1-CG1 4.25Å; F421-I486 HydrophobicContact CZ-CD1 3.4Å; F421-I486 VanDerWaalsContact CZ-CD1 3.4Å; F421-I486 HydrophobicContact CZ-CG1 3.85Å
422N77.4Confident80.9Confident104 Ų10434.6 Ų34.656%0.55618%0.175SC*.THydrogen-bonded Turntrans-70.5-18.1174.1-84.1-30.5000113.9R389 D419 P420R389-N422 PolarHBondContact NH2-O 2.88Å; D419-N422 PolarHBondContact OD1-N 3.43Å; D419-N422 PolarHBondContact OD2-ND2 3.4Å; P420-N422 VanDerWaalsContact C-N 3.31Å; P420-N422 PolarHBondContact O-N 3.4Å
423L79.4Confident81.2Confident1 Ų132 Ų321%0.00516%0.161CC..THydrogen-bonded Turntrans-95.4-36.1-178-67.6174.1000113.6Y383 C386 A387 R389 L394 I413 N417 P420 F421Y383-L423 HydrophobicContact CD2-CD1 3.87Å; Y383-L423 HydrophobicContact CD2-CD2 3.74Å; Y383-L423 HydrophobicContact CD2-CG 4.26Å; Y383-L423 HydrophobicContact CE2-CD1 4.15Å; Y383-L423 HydrophobicContact CE2-CD2 3.7Å; Y383-L423 HydrophobicContact CE2-CG 4.15Å; Y383-L423 HydrophobicContact CG-CD2 4.44Å; C386-L423 HydrophobicContact CB-CD2 3.96Å; A387-L423 HydrophobicContact CB-CD2 3.97Å; R389-L423 PolarHBondContact NH2-O 3.18Å; L394-L423 VanDerWaalsContact CD2-O 3.28Å; L394-L423 WeakPolarHBondContact CD2-O 3.06Å; I413-L423 HydrophobicContact CG2-CB 4.33Å; I413-L423 HydrophobicContact CG2-CD1 3.78Å; N417-L423 HydrophobicContact CB-CD1 3.65Å; P420-L423 PolarHBondContact O-N 3.05Å; P420-L423 VanDerWaalsContact O-N 3.09Å; F421-L423 PolarHBondContact O-N 3.43Å
424L84.2Confident81.3Confident7 Ų732.7 Ų32.74%0.03717%0.165CC..SBendtrans-95.1142.8-173.1-64.8173.6000111.6L394 L410 I413 I414 P420 C428 F432 M479L394-L424 HydrophobicContact CD2-CD2 4.15Å; L410-L424 HydrophobicContact CD2-CD2 3.8Å; I413-L424 HydrophobicContact CD1-CD2 4.3Å; I414-L424 HydrophobicContact CD1-CD1 3.98Å; I414-L424 HydrophobicContact CG1-CD1 3.8Å; P420-L424 HydrophobicContact CB-CD1 4.48Å; P420-L424 PolarHBondContact O-N 3.33Å; L424-C428 HydrophobicContact CB-CB 4.34Å; L424-F432 HydrophobicContact CD1-CD2 4.29Å; L424-F432 HydrophobicContact CD1-CE2 4.18Å; L424-M479 HydrophobicContact CD1-CE 3.92Å
425P80.7Confident81.5Confident19 Ų1935 Ų3512%0.12318%0.177CC..  trans-55.3146.3163.9-22.433.1000110.8L395 I398 E427 C428 C429L395-P425 HydrophobicContact CD1-CB 4.45Å; L395-P425 HydrophobicContact CD1-CG 3.92Å; I398-P425 HydrophobicContact CD1-CG 4.5Å; P425-E427 WeakPolarHBondContact CB-OE2 3.27Å; P425-E427 PolarHBondContact O-N 3.07Å; P425-C428 WeakPolarHBondContact O-CB 3.28Å; P425-C428 PolarHBondContact O-N 2.93Å; P425-C429 PolarHBondContact O-N 3.15Å
426I84.4Confident81.6Confident12 Ų1231.3 Ų31.36%0.06216%0.161CC..Hα-helixtrans-63.6-29.6-173.2-164.8159.8000112.6F421 C428 C429 C430 I486 Q496 A500F421-I426 HydrophobicContact CE2-CD1 4.4Å; F421-I426 HydrophobicContact CE2-CG1 4.4Å; F421-I426 HydrophobicContact CZ-CD1 4.26Å; I426-C428 VanDerWaalsContact C-N 3.31Å; I426-C428 PolarHBondContact O-N 3.38Å; I426-C429 WeakPolarHBondContact O-CB 3.5Å; I426-C429 PolarHBondContact O-N 3.48Å; I426-C430 PolarHBondContact O-N 3.43Å; I426-C430 PolarHBondContact O-SG 2.93Å; I426-I486 HydrophobicContact CD1-CD1 4.46Å; I426-I486 HydrophobicContact CD1-CG2 3.92Å; I426-Q496 HydrophobicContact CD1-CB 3.87Å; I426-A500 HydrophobicContact CD1-CB 3.68Å; I426-A500 HydrophobicContact CG1-CB 3.88Å
427E84.3Confident81.8Confident62 Ų6227.4 Ų27.429%0.2915%0.145SC..Hα-helixtrans-61.3-40.1173.9-60.282-178.100111.4P425 C430 E431 S499 Y503P425-E427 WeakPolarHBondContact CB-OE2 3.27Å; P425-E427 PolarHBondContact O-N 3.07Å; E427-C430 PolarHBondContact O-N 3.45Å; E427-E431 PolarHBondContact O-N 3.09Å; E427-S499 WeakPolarHBondContact OE1-CB 3.48Å; E427-S499 PolarHBondContact OE1-OG 2.77Å; E427-Y503 HydrophobicContact CB-CD2 3.55Å; E427-Y503 HydrophobicContact CB-CE2 3.65Å; E427-Y503 HydrophobicContact CB-CG 4.32Å; E427-Y503 HydrophobicContact CG-CD2 3.74Å; E427-Y503 HydrophobicContact CG-CE2 4.27Å; E427-Y503 WeakPolarHBondContact O-CE1 3.22Å
428C83.8Confident82.1Confident8 Ų827.8 Ų27.85%0.05415%0.146CC..Hα-helixtrans-68-42.1175.9-64.60000110.6L424 P425 I426 C430 E431 F432L424-C428 HydrophobicContact CB-CB 4.34Å; P425-C428 WeakPolarHBondContact O-CB 3.28Å; P425-C428 PolarHBondContact O-N 2.93Å; I426-C428 VanDerWaalsContact C-N 3.31Å; I426-C428 PolarHBondContact O-N 3.38Å; C428-C430 VanDerWaalsContact C-N 3.33Å; C428-C430 PolarHBondContact O-N 3.04Å; C428-E431 PolarHBondContact O-N 3.02Å; C428-F432 VanDerWaalsContact O-CD2 3.22Å; C428-F432 WeakPolarHBondContact O-CD2 3.49Å; C428-F432 PolarHBondContact O-N 3.16Å
429C87Confident82.6Confident0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-57.7-47173.8-63.10000111.1F421 P425 I426 E431 F432 L433 M479 V483F421-C429 HydrophobicContact CD2-CB 4.5Å; P425-C429 PolarHBondContact O-N 3.15Å; I426-C429 WeakPolarHBondContact O-CB 3.5Å; I426-C429 PolarHBondContact O-N 3.48Å; C429-E431 VanDerWaalsContact C-N 3.33Å; C429-E431 PolarHBondContact O-N 3.33Å; C429-F432 PolarHBondContact O-N 3.08Å; C429-L433 VanDerWaalsContact O-CG 3.25Å; C429-L433 WeakPolarHBondContact O-CG 3.19Å; C429-L433 PolarHBondContact O-N 3.22Å; C429-M479 HydrophobicContact CB-CE 4.48Å; C429-M479 HydrophobicContact CB-CG 3.96Å; C429-M479 HydrophobicContact CB-SD 3.7Å; C429-V483 HydrophobicContact CB-CG2 4.04Å
430C88.6Confident82.9Confident0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-58.6-43.1174.6-66.10000112I426 E427 C428 F432 L433 I434 Y503 F504I426-C430 PolarHBondContact O-N 3.43Å; I426-C430 PolarHBondContact O-SG 2.93Å; E427-C430 PolarHBondContact O-N 3.45Å; C428-C430 VanDerWaalsContact C-N 3.33Å; C428-C430 PolarHBondContact O-N 3.04Å; C430-F432 PolarHBondContact O-N 3.15Å; C430-L433 PolarHBondContact O-N 3.35Å; C430-I434 VanDerWaalsContact O-CG1 3.32Å; C430-I434 WeakPolarHBondContact O-CG1 3.46Å; C430-I434 PolarHBondContact O-N 3.31Å; C430-Y503 HydrophobicContact CB-CD1 3.34Å; C430-Y503 HydrophobicContact CB-CE1 3.88Å; C430-Y503 HydrophobicContact CB-CG 4.01Å; C430-F504 HydrophobicContact CB-CD2 4.42Å; C430-F504 HydrophobicContact CB-CE2 4Å; C430-F504 HydrophobicContact CB-CZ 4.11Å; C430-F504 VanDerWaalsContact SG-CE2 3.51Å
431E86.4Confident83.2Confident2 Ų219.9 Ų19.91%0.00911%0.105CC..Hα-helixtrans-63.1-40.3177.1-165.467.117700112.5L404 L407 E427 C428 C429 L433 I434 N435 Y503 R507L404-E431 WeakPolarHBondContact CD2-OE1 3.36Å; L407-E431 HydrophobicContact CD1-CG 3.99Å; L407-E431 HydrophobicContact CD2-CB 4.36Å; L407-E431 HydrophobicContact CD2-CG 4Å; L407-E431 HydrophobicContact CG-CG 4.4Å; E427-E431 PolarHBondContact O-N 3.09Å; C428-E431 PolarHBondContact O-N 3.02Å; C429-E431 VanDerWaalsContact C-N 3.33Å; C429-E431 PolarHBondContact O-N 3.33Å; E431-L433 VanDerWaalsContact C-N 3.33Å; E431-L433 PolarHBondContact O-N 3.42Å; E431-I434 PolarHBondContact O-N 3.42Å; E431-N435 PolarHBondContact O-N 3.18Å; E431-N435 VanDerWaalsContact O-N 3.1Å; E431-N435 PolarHBondContact O-ND2 3.33Å; E431-Y503 HydrophobicContact CB-CE1 4.09Å; E431-Y503 WeakPolarHBondContact CB-OH 3.24Å; E431-Y503 VanDerWaalsContact CD-OH 3.22Å; E431-Y503 WeakPolarHBondContact OE2-CE1 3.33Å; E431-Y503 VanDerWaalsContact OE2-CZ 3.26Å; E431-Y503 PolarHBondContact OE2-OH 3.16Å; E431-R507 IonicContact OE1-CZ 2.75Å; E431-R507 VanDerWaalsContact OE1-CZ 3.3Å; E431-R507 IonicContact OE1-NH1 2.92Å; E431-R507 PolarHBondContact OE1-NH1 2.9Å; E431-R507 IonicContact OE1-NH2 3.67Å; E431-R507 PolarHBondContact OE1-NH2 3.42Å; E431-R507 IonicContact OE2-CZ 2.79Å; E431-R507 IonicContact OE2-NE 3.22Å; E431-R507 IonicContact OE2-NH1 2.77Å; E431-R507 PolarHBondContact OE2-NH1 3.46Å; E431-R507 IonicContact OE2-NH2 3.86Å; E431-R507 PolarHBondContact OE2-NH2 3.14Å
432F85.6Confident83.3Confident4 Ų423 Ų232%0.01812%0.123CC..Hα-helixtrans-60.9-42.9174.1-87.6-72.4000111.9L407 L410 I414 L424 C428 C429 C430 N435 H436 L476 M479L407-F432 HydrophobicContact CD2-CD1 4.22Å; L407-F432 HydrophobicContact CD2-CD2 4.03Å; L407-F432 HydrophobicContact CD2-CE1 3.95Å; L407-F432 HydrophobicContact CD2-CE2 3.74Å; L407-F432 HydrophobicContact CD2-CG 4.24Å; L407-F432 HydrophobicContact CD2-CZ 3.69Å; L410-F432 HydrophobicContact CB-CE2 3.73Å; L410-F432 HydrophobicContact CB-CZ 3.54Å; L410-F432 HydrophobicContact CD1-CE2 4.34Å; I414-F432 HydrophobicContact CD1-CB 4.38Å; I414-F432 HydrophobicContact CD1-CD1 3.61Å; I414-F432 HydrophobicContact CD1-CD2 3.56Å; I414-F432 HydrophobicContact CD1-CE1 3.67Å; I414-F432 HydrophobicContact CD1-CE2 3.63Å; I414-F432 HydrophobicContact CD1-CG 3.57Å; I414-F432 HydrophobicContact CD1-CZ 3.69Å; L424-F432 HydrophobicContact CD1-CD2 4.29Å; L424-F432 HydrophobicContact CD1-CE2 4.18Å; C428-F432 VanDerWaalsContact O-CD2 3.22Å; C428-F432 WeakPolarHBondContact O-CD2 3.49Å; C428-F432 PolarHBondContact O-N 3.16Å; C429-F432 PolarHBondContact O-N 3.08Å; C430-F432 PolarHBondContact O-N 3.15Å; F432-N435 PolarHBondContact O-N 2.96Å; F432-H436 WeakPolarHBondContact O-CB 3.39Å; F432-H436 PolarHBondContact O-CD2 3.42Å; F432-H436 VanDerWaalsContact O-CD2 3.32Å; F432-H436 PolarHBondContact O-N 3.39Å; F432-L476 HydrophobicContact CB-CD2 4.35Å; F432-M479 HydrophobicContact CB-SD 4.18Å
433L87.5Confident82.8Confident0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-67.3-36179.7-65.7165.7000112.4C429 C430 E431 N435 H436 A439 M440 A480 V483 F504C429-L433 VanDerWaalsContact O-CG 3.25Å; C429-L433 WeakPolarHBondContact O-CG 3.19Å; C429-L433 PolarHBondContact O-N 3.22Å; C430-L433 PolarHBondContact O-N 3.35Å; E431-L433 VanDerWaalsContact C-N 3.33Å; E431-L433 PolarHBondContact O-N 3.42Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-H436 CarbonylContact O-C 3.57Å; L433-H436 VanDerWaalsContact O-C 3.26Å; L433-H436 PolarHBondContact O-N 3.28Å; L433-A439 HydrophobicContact CD2-CB 4.18Å; L433-M440 HydrophobicContact CB-CE 4.42Å; L433-M440 HydrophobicContact CB-SD 4.06Å; L433-M440 HydrophobicContact CD1-CE 3.5Å; L433-M440 HydrophobicContact CD1-SD 4.24Å; L433-M440 HydrophobicContact CD2-CE 4.05Å; L433-M440 HydrophobicContact CD2-CG 4.17Å; L433-M440 HydrophobicContact CD2-SD 4.21Å; L433-M440 HydrophobicContact CG-CE 4.19Å; L433-M440 HydrophobicContact CG-SD 4.39Å; L433-A480 HydrophobicContact CD2-CB 3.6Å; L433-V483 HydrophobicContact CD1-CB 4.01Å; L433-V483 HydrophobicContact CD1-CG1 4.16Å; L433-V483 HydrophobicContact CD1-CG2 3.81Å; L433-F504 HydrophobicContact CB-CZ 4.47Å
434I86.1Confident82.1Confident15 Ų1527.5 Ų27.58%0.07716%0.157CC..Hα-helixtrans-64.5-40.2173.8-67.9168.1000111.2C430 E431 H436 Y503 F504 R507 L518 V519 L522C430-I434 VanDerWaalsContact O-CG1 3.32Å; C430-I434 WeakPolarHBondContact O-CG1 3.46Å; C430-I434 PolarHBondContact O-N 3.31Å; E431-I434 PolarHBondContact O-N 3.42Å; I434-H436 VanDerWaalsContact C-N 3.32Å; I434-Y503 HydrophobicContact CD1-CD1 4.4Å; I434-Y503 HydrophobicContact CD1-CE1 4.18Å; I434-F504 HydrophobicContact CD1-CD1 3.88Å; I434-F504 HydrophobicContact CD1-CE1 4.05Å; I434-F504 HydrophobicContact CG1-CD1 3.89Å; I434-F504 HydrophobicContact CG1-CE1 3.64Å; I434-R507 HydrophobicContact CD1-CB 4.39Å; I434-R507 HydrophobicContact CD1-CG 3.93Å; I434-L518 WeakPolarHBondContact O-CD2 3.47Å; I434-V519 HydrophobicContact CD1-CG2 4.4Å; I434-V519 HydrophobicContact CG1-CG2 4.49Å; I434-V519 HydrophobicContact CG2-CG2 4.16Å; I434-L522 HydrophobicContact CB-CD1 4.37Å; I434-L522 HydrophobicContact CG1-CD1 4.1Å
435N83.1Confident81.2Confident48 Ų4829.8 Ų29.826%0.25717%0.169SC..Hα-helixtrans-81.6-11.4179.6-71.8-70.9000113.8L407 E431 F432 L433 P437 L457L407-N435 WeakPolarHBondContact CD1-ND2 3.34Å; E431-N435 PolarHBondContact O-N 3.18Å; E431-N435 VanDerWaalsContact O-N 3.1Å; E431-N435 PolarHBondContact O-ND2 3.33Å; F432-N435 PolarHBondContact O-N 2.96Å; L433-N435 VanDerWaalsContact C-N 3.34Å; N435-P437 VanDerWaalsContact C-CD 3.5Å; N435-L457 HydrophobicContact CB-CD1 4.39Å
436H83.7Confident80.2Confident14 Ų1430.2 Ų30.27%0.06517%0.171CC..  trans-129.664.2177.9-67.8-71000111F432 L433 I434 E438 A439 Y472 L476F432-H436 WeakPolarHBondContact O-CB 3.39Å; F432-H436 PolarHBondContact O-CD2 3.42Å; F432-H436 VanDerWaalsContact O-CD2 3.32Å; F432-H436 PolarHBondContact O-N 3.39Å; L433-H436 CarbonylContact O-C 3.57Å; L433-H436 VanDerWaalsContact O-C 3.26Å; L433-H436 PolarHBondContact O-N 3.28Å; I434-H436 VanDerWaalsContact C-N 3.32Å; H436-E438 WeakPolarHBondContact CA-OE2 3.35Å; H436-E438 IonicContact CG-OE1 3.18Å; H436-E438 IonicContact ND1-OE1 2.59Å; H436-E438 PolarHBondContact ND1-OE1 2.74Å; H436-E438 VanDerWaalsContact ND1-OE1 3.15Å; H436-E438 PolarHBondContact O-N 3.14Å; H436-E438 VanDerWaalsContact O-N 3.08Å; H436-A439 VanDerWaalsContact O-CB 3.27Å; H436-A439 WeakPolarHBondContact O-CB 3.46Å; H436-A439 PolarHBondContact O-N 3.28Å; H436-Y472 PolarHBondContact NE2-OH 3.05Å; H436-Y472 VanDerWaalsContact NE2-OH 3.13Å; H436-L476 HydrophobicContact CB-CD1 3.8Å
437P82.2Confident79Confident18 Ų1834.8 Ų34.812%0.11720%0.196CC..G310 helixtrans-58.7-26.4-175.926.1-36.5000113.1N435 A439 M440 L441 L518 L522N435-P437 VanDerWaalsContact C-CD 3.5Å; P437-A439 PolarHBondContact O-N 3.42Å; P437-A439 VanDerWaalsContact O-N 3.09Å; P437-M440 PolarHBondContact O-N 3.17Å; P437-L441 HydrophobicContact CB-CD1 3.95Å; P437-L441 HydrophobicContact CB-CG 4.46Å; P437-L441 WeakPolarHBondContact O-CB 3.33Å; P437-L441 PolarHBondContact O-N 3.47Å; P437-L518 HydrophobicContact CB-CD1 3.61Å; P437-L518 HydrophobicContact CB-CG 4.49Å; P437-L518 HydrophobicContact CG-CD1 4Å; P437-L518 HydrophobicContact CG-CD2 4.36Å; P437-L522 HydrophobicContact CB-CD2 4.25Å
438E83.3Confident77.7Confident31 Ų3138.5 Ų38.515%0.14521%0.213CC..G310 helixtrans-63-11.217570.2-85.8-164.200115H436 M440 V446 R473H436-E438 WeakPolarHBondContact CA-OE2 3.35Å; H436-E438 IonicContact CG-OE1 3.18Å; H436-E438 IonicContact ND1-OE1 2.59Å; H436-E438 PolarHBondContact ND1-OE1 2.74Å; H436-E438 VanDerWaalsContact ND1-OE1 3.15Å; H436-E438 PolarHBondContact O-N 3.14Å; H436-E438 VanDerWaalsContact O-N 3.08Å; E438-M440 VanDerWaalsContact C-N 3.35Å; E438-V446 HydrophobicContact CB-CG2 4.19Å; E438-R473 VanDerWaalsContact CG-NH2 3.32Å; E438-R473 IonicContact OE1-NH1 2.68Å
439A83.6Confident76.2Confident13 Ų1339 Ų3911%0.10722%0.218CC..G310 helixtrans-78.4-21.6172.500000112.6L433 H436 P437 L476L433-A439 HydrophobicContact CD2-CB 4.18Å; H436-A439 VanDerWaalsContact O-CB 3.27Å; H436-A439 WeakPolarHBondContact O-CB 3.46Å; H436-A439 PolarHBondContact O-N 3.28Å; P437-A439 PolarHBondContact O-N 3.42Å; P437-A439 VanDerWaalsContact O-N 3.09Å; A439-L476 HydrophobicContact CB-CB 3.73Å
440M81.5Confident74.5Confident20 Ų2041.8 Ų41.810%0.09924%0.237CC..THydrogen-bonded Turntrans-118.8-33.2-175.9-77-174.6150.200113.6L433 P437 E438 A480 L522 K525 V526L433-M440 HydrophobicContact CB-CE 4.42Å; L433-M440 HydrophobicContact CB-SD 4.06Å; L433-M440 HydrophobicContact CD1-CE 3.5Å; L433-M440 HydrophobicContact CD1-SD 4.24Å; L433-M440 HydrophobicContact CD2-CE 4.05Å; L433-M440 HydrophobicContact CD2-CG 4.17Å; L433-M440 HydrophobicContact CD2-SD 4.21Å; L433-M440 HydrophobicContact CG-CE 4.19Å; L433-M440 HydrophobicContact CG-SD 4.39Å; P437-M440 PolarHBondContact O-N 3.17Å; E438-M440 VanDerWaalsContact C-N 3.35Å; M440-A480 HydrophobicContact CE-CB 3.7Å; M440-A480 HydrophobicContact CG-CB 3.61Å; M440-A480 HydrophobicContact SD-CB 4.5Å; M440-L522 HydrophobicContact CB-CD2 3.84Å; M440-L522 HydrophobicContact CG-CD2 4.49Å; M440-L522 HydrophobicContact SD-CD2 4.09Å; M440-K525 WeakPolarHBondContact O-CE 3.44Å; M440-V526 HydrophobicContact CE-CG2 3.44Å; M440-V526 VanDerWaalsContact CE-CG2 3.44Å; M440-V526 HydrophobicContact SD-CG2 3.56Å; M440-V526 VanDerWaalsContact SD-CG2 3.56Å
441L80.8Confident72.3Confident11 Ų1150.7 Ų50.76%0.05828%0.276CS..SBendtrans-95.4150.2-174.2-60.8-175.5000111.7P437 D445 V446 L518 L521 L522 K525P437-L441 HydrophobicContact CB-CD1 3.95Å; P437-L441 HydrophobicContact CB-CG 4.46Å; P437-L441 WeakPolarHBondContact O-CB 3.33Å; P437-L441 PolarHBondContact O-N 3.47Å; L441-D445 HydrophobicContact CB-CB 4.03Å; L441-D445 HydrophobicContact CD1-CB 4.36Å; L441-V446 HydrophobicContact CB-CG2 3.84Å; L441-L518 HydrophobicContact CD1-CD1 4.39Å; L441-L521 HydrophobicContact CD1-CB 4.32Å; L441-L522 HydrophobicContact CD1-CD2 4.2Å; L441-L522 HydrophobicContact CD2-CD2 4.16Å; L441-L522 HydrophobicContact CG-CD2 3.89Å; L441-K525 HydrophobicContact CD2-CB 4.1Å; L441-K525 HydrophobicContact CD2-CG 4.33Å
442D75.5Confident70.2Confident95 Ų9554.2 Ų54.251%0.50830%0.295SS..  trans-77156.5174.3-64.8-55.5000110.2A444 D445 V446 K525D442-A444 PolarHBondContact O-N 3.43Å; D442-D445 PolarHBondContact O-N 3.35Å; D442-V446 PolarHBondContact O-N 2.76Å; D442-V446 VanDerWaalsContact O-N 3.11Å; D442-K525 IonicContact OD2-NZ 3.81Å; D442-K525 PolarHBondContact OD2-NZ 3.3Å
443D68.3Low68Low127 Ų12756.5 Ų56.568%0.67932%0.32SS*.Hα-helixtrans-56.1-28.1-173.3-74.4-31.1000113.6N447D443-N447 PolarHBondContact O-N 3.05Å; D443-N447 PolarHBondContact O-ND2 3.02Å
444A63.9Low65.7Low71 Ų7158.4 Ų58.459%0.58733%0.333SS*.Hα-helixtrans-66.5-45175.200000112.1D442 N447 E448D442-A444 PolarHBondContact O-N 3.43Å; A444-N447 PolarHBondContact O-N 3.42Å; A444-E448 PolarHBondContact O-N 2.76Å
445D65.3Low63.3Low55 Ų5561 Ų6129%0.29435%0.349SS..Hα-helixtrans-71.5-35.7-177.9-57.3-28.7000111.2L441 D442 N447 E448 A449L441-D445 HydrophobicContact CB-CB 4.03Å; L441-D445 HydrophobicContact CD1-CB 4.36Å; D442-D445 PolarHBondContact O-N 3.35Å; D445-N447 VanDerWaalsContact C-N 3.29Å; D445-N447 PolarHBondContact O-N 3.36Å; D445-E448 PolarHBondContact O-N 3.36Å; D445-A449 PolarHBondContact O-N 3.09Å
446V60.3Low61.2Low29 Ų2964.6 Ų64.618%0.17637%0.373CS..Hα-helixtrans-62.4-37.8175.91790000111E438 L441 D442 A449 S450E438-V446 HydrophobicContact CB-CG2 4.19Å; L441-V446 HydrophobicContact CB-CG2 3.84Å; D442-V446 PolarHBondContact O-N 2.76Å; D442-V446 VanDerWaalsContact O-N 3.11Å; V446-A449 PolarHBondContact O-N 2.78Å; V446-S450 VanDerWaalsContact O-CB 3.28Å; V446-S450 WeakPolarHBondContact O-CB 3.45Å; V446-S450 PolarHBondContact O-N 2.82Å; V446-S450 PolarHBondContact O-OG 2.83Å
447N58.6Low59.1Low107 Ų10768 Ų6857%0.57239%0.391SS*.Hα-helixtrans-65.5-40.1178.2-75.4-46.1000111.9D443 A444 D445 S450 F451D443-N447 PolarHBondContact O-N 3.05Å; D443-N447 PolarHBondContact O-ND2 3.02Å; A444-N447 PolarHBondContact O-N 3.42Å; D445-N447 VanDerWaalsContact C-N 3.29Å; D445-N447 PolarHBondContact O-N 3.36Å; N447-S450 WeakPolarHBondContact CA-OG 3.49Å; N447-S450 PolarHBondContact O-N 2.91Å; N447-S450 PolarHBondContact O-OG 3.41Å; N447-F451 PolarHBondContact O-N 3.41Å
448E57Low56.9Low141 Ų14169.4 Ų69.466%0.65940%0.402SS*.Hα-helixtrans-62.9-42.3172.9-78.7-162.7152.200112.3A444 D445A444-E448 PolarHBondContact O-N 2.76Å; D445-E448 PolarHBondContact O-N 3.36Å
449A53Low54.6Low18 Ų1874 Ų7415%0.14943%0.431CS..Hα-helixtrans-65.9-41.417700000112.4D445 V446 F451 N452 L518 L521D445-A449 PolarHBondContact O-N 3.09Å; V446-A449 PolarHBondContact O-N 2.78Å; A449-F451 VanDerWaalsContact C-N 3.33Å; A449-F451 PolarHBondContact O-N 2.96Å; A449-N452 PolarHBondContact O-N 3.47Å; A449-L518 HydrophobicContact CB-CD1 3.84Å; A449-L521 HydrophobicContact CB-CD1 4.4Å
450S50.1Low52.4Low58 Ų5876.4 Ų76.441%0.40646%0.458SS..Hα-helixtrans-67.6-29.8-176.772.90000113.5V446 N447 N452 G453V446-S450 VanDerWaalsContact O-CB 3.28Å; V446-S450 WeakPolarHBondContact O-CB 3.45Å; V446-S450 PolarHBondContact O-N 2.82Å; V446-S450 PolarHBondContact O-OG 2.83Å; N447-S450 WeakPolarHBondContact CA-OG 3.49Å; N447-S450 PolarHBondContact O-N 2.91Å; N447-S450 PolarHBondContact O-OG 3.41Å; S450-N452 PolarHBondContact O-N 2.99Å; S450-N452 VanDerWaalsContact O-N 3.07Å; S450-G453 PolarHBondContact O-N 3.32Å
451F43.1Very low50.4Low187 Ų18777.9 Ų77.982%0.8247%0.466SS*.THydrogen-bonded Turntrans-62.7-17.5178.7-142.7-89000112.6N447 A449N447-F451 PolarHBondContact O-N 3.41Å; A449-F451 VanDerWaalsContact C-N 3.33Å; A449-F451 PolarHBondContact O-N 2.96Å
452N42.5Very low48.3Very low77 Ų7785.5 Ų85.541%0.41250%0.501SS..THydrogen-bonded Turntrans-101.14.5-177.6-70.4-26.5000114.7A449 S450 V514A449-N452 PolarHBondContact O-N 3.47Å; S450-N452 PolarHBondContact O-N 2.99Å; S450-N452 VanDerWaalsContact O-N 3.07Å; N452-V514 HydrophobicContact CB-CB 4.42Å; N452-V514 HydrophobicContact CB-CG1 3.66Å; N452-V514 HydrophobicContact CB-CG2 4.15Å; N452-V514 VanDerWaalsContact O-CG1 3.25Å; N452-V514 WeakPolarHBondContact O-CG1 3.45Å; N452-V514 WeakPolarHBondContact O-CG2 3.49Å
453G39.6Very low46.4Very low51 Ų5188.9 Ų88.953%0.52652%0.519SS..THydrogen-bonded Turntrans95.33.8158.200000118.6S450 T455S450-G453 PolarHBondContact O-N 3.32Å; G453-T455 VanDerWaalsContact C-N 3.33Å; G453-T455 PolarHBondContact O-N 3.32Å
454S37.5Very low44.9Very low41 Ų4184.5 Ų84.529%0.28750%0.504SS..  trans-80.282.5170.5-63.20000110.2V514 D515S454-V514 WeakPolarHBondContact OG-CG1 3.25Å; S454-D515 PolarHBondContact OG-OD1 3.46Å
455T36.6Very low43.9Very low68 Ų6891.8 Ų91.842%0.41752%0.522SS..  trans-118.851.1175.548.90000110.5G453 L457 S458G453-T455 VanDerWaalsContact C-N 3.33Å; G453-T455 PolarHBondContact O-N 3.32Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.31Å; T455-S458 WeakPolarHBondContact CB-OG 3.43Å; T455-S458 WeakPolarHBondContact CG2-OG 3.38Å
456V38.8Very low43.4Very low125 Ų12590.7 Ų90.776%0.75852%0.524SS*.SBendtrans-77.3-17.4-176.6179.60000112.7
457L40.4Very low43.7Very low84 Ų8493.5 Ų93.544%0.4455%0.545SS..SBendtrans-134.4-3.3177.1-67.3173.4000115.9N435 T455 V459N435-L457 HydrophobicContact CB-CD1 4.39Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.31Å; L457-V459 VanDerWaalsContact C-N 3.26Å; L457-V459 PolarHBondContact O-N 3.38Å
458S35.9Very low44.2Very low48 Ų4891.6 Ų91.634%0.33655%0.545SS..G310 helixtrans-76.1-9.4175.843.80000114T455 G460 I461T455-S458 WeakPolarHBondContact CB-OG 3.43Å; T455-S458 WeakPolarHBondContact CG2-OG 3.38Å; S458-G460 PolarHBondContact O-N 2.66Å; S458-G460 VanDerWaalsContact O-N 3.17Å; S458-I461 WeakPolarHBondContact O-CB 3.48Å; S458-I461 PolarHBondContact O-N 2.64Å
459V34.2Very low44.8Very low127 Ų12787.4 Ų87.477%0.7753%0.525SS*.G310 helixtrans-66.4-16.4178.1-178.10000112.8L457L457-V459 VanDerWaalsContact C-N 3.26Å; L457-V459 PolarHBondContact O-N 3.38Å
460G37Very low46.1Very low64 Ų6491.6 Ų91.666%0.6654%0.544SS*.G310 helixtrans-82.4-11.8169.500000114.9S458S458-G460 PolarHBondContact O-N 2.66Å; S458-G460 VanDerWaalsContact O-N 3.17Å
461I40.9Very low47.4Very low52 Ų5293.7 Ų93.727%0.26755%0.547SS..SBendtrans-85.9-23-162.7-62.9-179.1000113.5S458 Q469S458-I461 WeakPolarHBondContact O-CB 3.48Å; S458-I461 PolarHBondContact O-N 2.64Å; I461-Q469 VanDerWaalsContact CA-NE2 3.32Å; I461-Q469 PolarHBondContact O-NE2 2.87Å
462Q36.4Very low49.2Very low171 Ų17186.1 Ų86.180%0.79951%0.513SS*.THydrogen-bonded Turntrans-83.7-14.1-168.4-68.4-171-4.500116
463N35.4Very low51.1Low166 Ų16685.6 Ų85.689%0.88851%0.506SS*.THydrogen-bonded Turntrans-113.917.9-166.1-74.5-11.9000116.8
464G36.8Very low53.3Low35 Ų3586.4 Ų86.436%0.36150%0.498SS..  trans-154.8100.2173.600000114.2G466 Q469G464-G466 PolarHBondContact O-N 3.49Å; G464-Q469 PolarHBondContact O-OE1 3.29Å
465F41.8Very low55.6Low223 Ų22385.9 Ų85.998%0.97849%0.489SS*.  trans-67.863.4167.5-72.5-86.4000111.7
466G56.5Low57.9Low32 Ų3282.7 Ų82.733%0.3347%0.47SS..  trans-98.6142.5-179.800000112.5G464 A468 Q469G464-G466 PolarHBondContact O-N 3.49Å; G466-A468 PolarHBondContact O-N 3.23Å; G466-Q469 PolarHBondContact O-N 3.15Å
467S65.4Low60.3Low89 Ų8982.6 Ų82.662%0.62246%0.456SS*.Hα-helixtrans-52.5-34.5172.752.70000113.3Q469 I470 Q471S467-Q469 VanDerWaalsContact C-N 3.27Å; S467-Q469 PolarHBondContact O-N 3.29Å; S467-I470 PolarHBondContact O-N 3.49Å; S467-Q471 WeakPolarHBondContact O-CG 3.36Å; S467-Q471 PolarHBondContact O-N 3.28Å; S467-Q471 VanDerWaalsContact O-N 3.09Å
468A68.4Low62.5Low67 Ų6783.5 Ų83.555%0.55446%0.458SS*.Hα-helixtrans-62.3-32.7177.600000113.1G466 Y472G466-A468 PolarHBondContact O-N 3.23Å; A468-Y472 PolarHBondContact O-N 2.98Å
469Q71.6Confident65Low53 Ų5381.3 Ų81.325%0.24844%0.442CS..Hα-helixtrans-78.3-34.9-178.7-165.4165.25.500112I461 G464 G466 S467 Y472 R473I461-Q469 VanDerWaalsContact CA-NE2 3.32Å; I461-Q469 PolarHBondContact O-NE2 2.87Å; G464-Q469 PolarHBondContact O-OE1 3.29Å; G466-Q469 PolarHBondContact O-N 3.15Å; S467-Q469 VanDerWaalsContact C-N 3.27Å; S467-Q469 PolarHBondContact O-N 3.29Å; Q469-Y472 PolarHBondContact O-N 2.97Å; Q469-R473 WeakPolarHBondContact O-CG 3.39Å; Q469-R473 PolarHBondContact O-N 2.97Å; Q469-R473 VanDerWaalsContact O-N 3.09Å
470I78.4Confident67.7Low106 Ų10675.6 Ų75.654%0.54441%0.408SS..Hα-helixtrans-61.6-48.7170.9-61.3172.7000109.3S467 Y472 R473 D474S467-I470 PolarHBondContact O-N 3.49Å; I470-Y472 VanDerWaalsContact C-N 3.32Å; I470-Y472 PolarHBondContact O-N 2.95Å; I470-R473 PolarHBondContact O-N 2.92Å; I470-R473 VanDerWaalsContact O-N 3.14Å; I470-D474 PolarHBondContact O-N 3Å
471Q78.8Confident70.1Confident102 Ų10275.3 Ų75.348%0.47740%0.396SS..Hα-helixtrans-58.8-41.4177.3-71174.59.800112.7S467 D474 R475S467-Q471 WeakPolarHBondContact O-CG 3.36Å; S467-Q471 PolarHBondContact O-N 3.28Å; S467-Q471 VanDerWaalsContact O-N 3.09Å; Q471-D474 PolarHBondContact O-N 3.48Å; Q471-R475 VanDerWaalsContact O-CG 3.31Å; Q471-R475 WeakPolarHBondContact O-CG 3.45Å; Q471-R475 PolarHBondContact O-N 3.01Å
472Y80.9Confident72.4Confident28 Ų2874.3 Ų74.311%0.1139%0.394CS..Hα-helixtrans-61.1-45175.6179-114.4000112.2I414 K415 H436 A468 Q469 I470 R475 L476I414-Y472 HydrophobicContact CB-CD2 4.38Å; I414-Y472 HydrophobicContact CB-CE2 3.93Å; I414-Y472 HydrophobicContact CG2-CD2 3.86Å; I414-Y472 HydrophobicContact CG2-CE2 3.64Å; K415-Y472 HydrophobicContact CB-CD2 4.49Å; K415-Y472 HydrophobicContact CD-CD2 4.37Å; K415-Y472 HydrophobicContact CG-CD2 3.37Å; K415-Y472 HydrophobicContact CG-CE2 3.97Å; K415-Y472 HydrophobicContact CG-CG 3.99Å; H436-Y472 PolarHBondContact NE2-OH 3.05Å; H436-Y472 VanDerWaalsContact NE2-OH 3.13Å; A468-Y472 PolarHBondContact O-N 2.98Å; Q469-Y472 PolarHBondContact O-N 2.97Å; I470-Y472 VanDerWaalsContact C-N 3.32Å; I470-Y472 PolarHBondContact O-N 2.95Å; Y472-R475 PolarHBondContact O-N 3.31Å; Y472-L476 HydrophobicContact CD1-CD1 4Å; Y472-L476 HydrophobicContact CE1-CD1 3.48Å; Y472-L476 VanDerWaalsContact CE1-CD1 3.48Å; Y472-L476 HydrophobicContact CE1-CG 4.26Å; Y472-L476 HydrophobicContact CE2-CD1 4.38Å; Y472-L476 HydrophobicContact CE2-CD2 4.47Å; Y472-L476 HydrophobicContact CE2-CG 4.32Å; Y472-L476 WeakPolarHBondContact O-CG 3.46Å; Y472-L476 PolarHBondContact O-N 2.97Å
473R82.4Confident74.9Confident66 Ų6666.1 Ų66.125%0.24936%0.356CS..Hα-helixtrans-64.1-40.7177.3-68.7176.37687.8-0.6112.1E438 Q469 I470 R475 L476 R477E438-R473 VanDerWaalsContact CG-NH2 3.32Å; E438-R473 IonicContact OE1-NH1 2.68Å; Q469-R473 WeakPolarHBondContact O-CG 3.39Å; Q469-R473 PolarHBondContact O-N 2.97Å; Q469-R473 VanDerWaalsContact O-N 3.09Å; I470-R473 PolarHBondContact O-N 2.92Å; I470-R473 VanDerWaalsContact O-N 3.14Å; R473-R475 VanDerWaalsContact C-N 3.3Å; R473-R475 PolarHBondContact O-N 3.34Å; R473-L476 PolarHBondContact O-N 3.31Å; R473-R477 WeakPolarHBondContact O-CG 3.36Å; R473-R477 PolarHBondContact O-N 3.32Å
474D85.3Confident77.4Confident67 Ų6759.3 Ų59.336%0.35832%0.32SS..Hα-helixtrans-64.4-36.9177.4-67.7-25000111.5I470 Q471 R477 Q478I470-D474 PolarHBondContact O-N 3Å; Q471-D474 PolarHBondContact O-N 3.48Å; D474-R477 WeakPolarHBondContact O-CB 3.36Å; D474-R477 PolarHBondContact O-N 3.24Å; D474-R477 IonicContact OD1-NH1 2.74Å; D474-R477 PolarHBondContact OD1-NH1 3.23Å; D474-Q478 WeakPolarHBondContact O-CG 3.36Å; D474-Q478 PolarHBondContact O-N 3.36Å
475R84.8Confident79.8Confident30 Ų3063.1 Ų63.111%0.11333%0.329CS..Hα-helixtrans-69.5-37.6174.1-70176.6-168.1-174.23.5113.2I414 K415 Q416 N417 D418 Q471 Y472 R473 R477 Q478 M479I414-R475 HydrophobicContact CG2-CB 4.15Å; I414-R475 WeakPolarHBondContact O-CD 3.24Å; I414-R475 PolarHBondContact O-NH1 2.71Å; K415-R475 PolarHBondContact O-NH1 3.09Å; Q416-R475 VanDerWaalsContact C-NH1 3.34Å; Q416-R475 VanDerWaalsContact N-NH1 3.18Å; N417-R475 PolarHBondContact O-NH1 3.03Å; D418-R475 IonicContact OD1-NH2 3.34Å; Q471-R475 VanDerWaalsContact O-CG 3.31Å; Q471-R475 WeakPolarHBondContact O-CG 3.45Å; Q471-R475 PolarHBondContact O-N 3.01Å; Y472-R475 PolarHBondContact O-N 3.31Å; R473-R475 VanDerWaalsContact C-N 3.3Å; R473-R475 PolarHBondContact O-N 3.34Å; R475-R477 VanDerWaalsContact C-N 3.3Å; R475-R477 PolarHBondContact O-N 3.18Å; R475-Q478 PolarHBondContact O-N 3.44Å; R475-M479 WeakPolarHBondContact O-CB 3.45Å; R475-M479 PolarHBondContact O-N 3.14Å
476L86.5Confident82Confident2 Ų253 Ų531%0.0129%0.285CS..Hα-helixtrans-63.2-37.6171.9-71.5175000111.5I414 F432 H436 A439 Y472 R473 M479 A480I414-L476 HydrophobicContact CD1-CD2 4.25Å; I414-L476 HydrophobicContact CG2-CD2 4.35Å; F432-L476 HydrophobicContact CB-CD2 4.35Å; H436-L476 HydrophobicContact CB-CD1 3.8Å; A439-L476 HydrophobicContact CB-CB 3.73Å; Y472-L476 HydrophobicContact CD1-CD1 4Å; Y472-L476 HydrophobicContact CE1-CD1 3.48Å; Y472-L476 VanDerWaalsContact CE1-CD1 3.48Å; Y472-L476 HydrophobicContact CE1-CG 4.26Å; Y472-L476 HydrophobicContact CE2-CD1 4.38Å; Y472-L476 HydrophobicContact CE2-CD2 4.47Å; Y472-L476 HydrophobicContact CE2-CG 4.32Å; Y472-L476 WeakPolarHBondContact O-CG 3.46Å; Y472-L476 PolarHBondContact O-N 2.97Å; R473-L476 PolarHBondContact O-N 3.31Å; L476-M479 PolarHBondContact O-N 3.42Å; L476-A480 WeakPolarHBondContact O-CB 3.12Å; L476-A480 PolarHBondContact O-N 3.44Å
477R87.6Confident83.4Confident123 Ų12351.6 Ų51.646%0.46427%0.269SS..Hα-helixtrans-66.5-39.6173.1-72.7172.2177.3162.8-8112.5R473 D474 R475 A480 S481R473-R477 WeakPolarHBondContact O-CG 3.36Å; R473-R477 PolarHBondContact O-N 3.32Å; D474-R477 WeakPolarHBondContact O-CB 3.36Å; D474-R477 PolarHBondContact O-N 3.24Å; D474-R477 IonicContact OD1-NH1 2.74Å; D474-R477 PolarHBondContact OD1-NH1 3.23Å; R475-R477 VanDerWaalsContact C-N 3.3Å; R475-R477 PolarHBondContact O-N 3.18Å; R477-A480 WeakPolarHBondContact O-CB 3.46Å; R477-A480 PolarHBondContact O-N 3.48Å; R477-S481 PolarHBondContact O-N 2.84Å; R477-S481 PolarHBondContact O-OG 3.45Å
478Q88.5Confident84.1Confident102 Ų10252.2 Ų52.248%0.47726%0.258SS..Hα-helixtrans-62.2-46.3173.2-73.3171.6-2.500111.2D474 R475 A480 S481 S482D474-Q478 WeakPolarHBondContact O-CG 3.36Å; D474-Q478 PolarHBondContact O-N 3.36Å; R475-Q478 PolarHBondContact O-N 3.44Å; Q478-A480 VanDerWaalsContact C-N 3.29Å; Q478-A480 PolarHBondContact O-N 3.37Å; Q478-S481 WeakPolarHBondContact CA-OG 3.15Å; Q478-S481 PolarHBondContact O-N 3.39Å; Q478-S481 VanDerWaalsContact O-N 3.16Å; Q478-S481 PolarHBondContact O-OG 3.38Å; Q478-S482 PolarHBondContact O-N 2.7Å; Q478-S482 PolarHBondContact O-OG 3Å
479M88.5Confident84.3Confident2 Ų255.6 Ų55.61%0.0126%0.263CS..Hα-helixtrans-57.5-42.8172.9179.5-176.2-68.300111.6I414 P420 F421 L424 C429 F432 R475 L476 S481 S482 V483I414-M479 HydrophobicContact CD1-CE 3.72Å; I414-M479 HydrophobicContact CG1-CE 4.02Å; P420-M479 HydrophobicContact CB-CE 4.08Å; P420-M479 HydrophobicContact CG-CE 3.97Å; F421-M479 HydrophobicContact CD2-CG 4.5Å; L424-M479 HydrophobicContact CD1-CE 3.92Å; C429-M479 HydrophobicContact CB-CE 4.48Å; C429-M479 HydrophobicContact CB-CG 3.96Å; C429-M479 HydrophobicContact CB-SD 3.7Å; F432-M479 HydrophobicContact CB-SD 4.18Å; R475-M479 WeakPolarHBondContact O-CB 3.45Å; R475-M479 PolarHBondContact O-N 3.14Å; L476-M479 PolarHBondContact O-N 3.42Å; M479-S481 PolarHBondContact O-N 3.25Å; M479-S482 PolarHBondContact O-N 2.85Å; M479-V483 HydrophobicContact CG-CG2 4.48Å; M479-V483 WeakPolarHBondContact O-CG2 3.34Å; M479-V483 PolarHBondContact O-N 3.27Å
480A88.9Confident83.9Confident7 Ų754.2 Ų54.26%0.05826%0.258CS..Hα-helixtrans-60.3-44.7176.100000112.1L433 M440 L476 R477 Q478 T484L433-A480 HydrophobicContact CD2-CB 3.6Å; M440-A480 HydrophobicContact CE-CB 3.7Å; M440-A480 HydrophobicContact CG-CB 3.61Å; M440-A480 HydrophobicContact SD-CB 4.5Å; L476-A480 WeakPolarHBondContact O-CB 3.12Å; L476-A480 PolarHBondContact O-N 3.44Å; R477-A480 WeakPolarHBondContact O-CB 3.46Å; R477-A480 PolarHBondContact O-N 3.48Å; Q478-A480 VanDerWaalsContact C-N 3.29Å; Q478-A480 PolarHBondContact O-N 3.37Å; A480-T484 WeakPolarHBondContact O-CB 3.49Å; A480-T484 PolarHBondContact O-N 2.55Å; A480-T484 PolarHBondContact O-OG1 2.94Å
481S88.7Confident83.3Confident58 Ų5860.8 Ų60.841%0.40628%0.277SS..Hα-helixtrans-61.9-45.4175.254.40000111.9R477 Q478 M479 T484 E485R477-S481 PolarHBondContact O-N 2.84Å; R477-S481 PolarHBondContact O-OG 3.45Å; Q478-S481 WeakPolarHBondContact CA-OG 3.15Å; Q478-S481 PolarHBondContact O-N 3.39Å; Q478-S481 VanDerWaalsContact O-N 3.16Å; Q478-S481 PolarHBondContact O-OG 3.38Å; M479-S481 PolarHBondContact O-N 3.25Å; S481-T484 WeakPolarHBondContact O-CB 3.17Å; S481-T484 PolarHBondContact O-N 2.87Å; S481-E485 WeakPolarHBondContact O-CG 3.48Å; S481-E485 PolarHBondContact O-N 3.42Å
482S88.6Confident82.8Confident31 Ų3164.7 Ų64.722%0.21730%0.295CS..Hα-helixtrans-63.1-45.3178.9-56.80000112.3Q478 M479 T484 E485 I486Q478-S482 PolarHBondContact O-N 2.7Å; Q478-S482 PolarHBondContact O-OG 3Å; M479-S482 PolarHBondContact O-N 2.85Å; S482-T484 VanDerWaalsContact C-N 3.29Å; S482-T484 PolarHBondContact O-N 3.17Å; S482-E485 PolarHBondContact O-N 2.93Å; S482-I486 VanDerWaalsContact O-CG1 3.25Å; S482-I486 WeakPolarHBondContact O-CG1 3.25Å; S482-I486 PolarHBondContact O-N 3.47Å
483V88.7Confident82.7Confident0 Ų066.4 Ų66.40%031%0.306CS..Hα-helixtrans-60.5-41.3175.7170.70000110.9F421 C429 L433 M479 I486 L487 F504F421-V483 HydrophobicContact CD2-CG2 4.25Å; F421-V483 HydrophobicContact CE2-CG2 3.73Å; C429-V483 HydrophobicContact CB-CG2 4.04Å; L433-V483 HydrophobicContact CD1-CB 4.01Å; L433-V483 HydrophobicContact CD1-CG1 4.16Å; L433-V483 HydrophobicContact CD1-CG2 3.81Å; M479-V483 HydrophobicContact CG-CG2 4.48Å; M479-V483 WeakPolarHBondContact O-CG2 3.34Å; M479-V483 PolarHBondContact O-N 3.27Å; V483-I486 PolarHBondContact O-N 2.8Å; V483-L487 HydrophobicContact CG1-CD1 3.96Å; V483-L487 WeakPolarHBondContact O-CB 3.49Å; V483-L487 WeakPolarHBondContact O-CG 3.06Å; V483-L487 PolarHBondContact O-N 3.35Å; V483-F504 HydrophobicContact CG1-CE2 4.26Å
484T88.1Confident82.8Confident23 Ų2364.8 Ų64.814%0.14130%0.304CS..Hα-helixtrans-66-42177.8-55.50000111.7A480 S481 S482 L487 R488A480-T484 WeakPolarHBondContact O-CB 3.49Å; A480-T484 PolarHBondContact O-N 2.55Å; A480-T484 PolarHBondContact O-OG1 2.94Å; S481-T484 WeakPolarHBondContact O-CB 3.17Å; S481-T484 PolarHBondContact O-N 2.87Å; S482-T484 VanDerWaalsContact C-N 3.29Å; S482-T484 PolarHBondContact O-N 3.17Å; T484-L487 PolarHBondContact O-N 3.4Å; T484-R488 WeakPolarHBondContact O-CB 3.35Å; T484-R488 VanDerWaalsContact O-CG 3.24Å; T484-R488 WeakPolarHBondContact O-CG 3.34Å; T484-R488 PolarHBondContact O-N 3.23Å; T484-R488 VanDerWaalsContact O-N 3.13Å
485E87.2Confident82.9Confident115 Ų11565.2 Ų65.254%0.53732%0.317SS..Hα-helixtrans-62.2-47.1174.2-76.5-178.7156.800111.5S481 S482 L487 R488 E489S481-E485 WeakPolarHBondContact O-CG 3.48Å; S481-E485 PolarHBondContact O-N 3.42Å; S482-E485 PolarHBondContact O-N 2.93Å; E485-L487 VanDerWaalsContact C-N 3.3Å; E485-L487 PolarHBondContact O-N 3.19Å; E485-R488 CarbonylContact O-C 3.39Å; E485-R488 PolarHBondContact O-N 2.96Å; E485-E489 WeakPolarHBondContact O-CB 2.98Å; E485-E489 PolarHBondContact O-N 3.19Å
486I88.1Confident83Confident11 Ų1167.8 Ų67.86%0.05633%0.331CS..Hα-helixtrans-58-43.3176.6-67.6-134.4000111.7F421 I426 S482 V483 R488 N493 Q496 A497F421-I486 HydrophobicContact CE1-CD1 3.66Å; F421-I486 HydrophobicContact CE1-CG1 4.25Å; F421-I486 HydrophobicContact CZ-CD1 3.4Å; F421-I486 VanDerWaalsContact CZ-CD1 3.4Å; F421-I486 HydrophobicContact CZ-CG1 3.85Å; I426-I486 HydrophobicContact CD1-CD1 4.46Å; I426-I486 HydrophobicContact CD1-CG2 3.92Å; S482-I486 VanDerWaalsContact O-CG1 3.25Å; S482-I486 WeakPolarHBondContact O-CG1 3.25Å; S482-I486 PolarHBondContact O-N 3.47Å; V483-I486 PolarHBondContact O-N 2.8Å; I486-R488 PolarHBondContact O-N 3.46Å; I486-N493 HydrophobicContact CD1-CB 4.06Å; I486-N493 HydrophobicContact CG2-CB 4.17Å; I486-Q496 HydrophobicContact CD1-CB 4.46Å; I486-Q496 HydrophobicContact CG2-CB 4.12Å; I486-A497 HydrophobicContact CG2-CB 3.88Å; I486-A497 WeakPolarHBondContact O-CB 3.27Å
487L86.8Confident83.2Confident1 Ų167.7 Ų67.71%0.00533%0.33CS..Hα-helixtrans-65.3-30.8179.2-75.5169.1000111.9V483 T484 E485 A497 A500 I501 V526 Y562V483-L487 HydrophobicContact CG1-CD1 3.96Å; V483-L487 WeakPolarHBondContact O-CB 3.49Å; V483-L487 WeakPolarHBondContact O-CG 3.06Å; V483-L487 PolarHBondContact O-N 3.35Å; T484-L487 PolarHBondContact O-N 3.4Å; E485-L487 VanDerWaalsContact C-N 3.3Å; E485-L487 PolarHBondContact O-N 3.19Å; L487-A497 VanDerWaalsContact CD2-O 3.3Å; L487-A497 WeakPolarHBondContact CD2-O 3.38Å; L487-A500 HydrophobicContact CD1-CB 4.46Å; L487-A500 HydrophobicContact CD2-CB 3.85Å; L487-A500 HydrophobicContact CG-CB 4.24Å; L487-I501 HydrophobicContact CD2-CB 3.77Å; L487-V526 HydrophobicContact CD1-CG1 3.18Å; L487-V526 HydrophobicContact CG-CG1 4.47Å; L487-Y562 WeakPolarHBondContact CD2-OH 3.46Å; L487-Y562 PolarHBondContact O-OH 3.36Å
488R80.1Confident83.3Confident102 Ų10264.5 Ų64.539%0.38532%0.319SS..Hα-helixtrans-84.4-37.9179.1-69171.1177.3-175.60.1113.2T484 E485 I486 H528T484-R488 WeakPolarHBondContact O-CB 3.35Å; T484-R488 VanDerWaalsContact O-CG 3.24Å; T484-R488 WeakPolarHBondContact O-CG 3.34Å; T484-R488 PolarHBondContact O-N 3.23Å; T484-R488 VanDerWaalsContact O-N 3.13Å; E485-R488 CarbonylContact O-C 3.39Å; E485-R488 PolarHBondContact O-N 2.96Å; I486-R488 PolarHBondContact O-N 3.46Å; R488-H528 PolarHBondContact NH2-O 2.96Å
489E71.8Confident83.4Confident139 Ų13961.5 Ų61.565%0.6531%0.31SS*.  trans-104.6104.9-173.3-63.2-168.8171.400112.3E485E485-E489 WeakPolarHBondContact O-CB 2.98Å; E485-E489 PolarHBondContact O-N 3.19Å
490S63.1Low83.5Confident23 Ų2361.4 Ų61.416%0.16131%0.309CS..Hα-helixtrans-100.4-20.3-161.661.20000118E492 C494 P561S490-E492 PolarHBondContact O-N 3.32Å; S490-C494 WeakPolarHBondContact O-CA 3.25Å; S490-C494 VanDerWaalsContact O-CB 3.25Å; S490-C494 WeakPolarHBondContact O-CB 3.32Å; S490-C494 PolarHBondContact O-N 3.17Å; S490-C494 VanDerWaalsContact O-N 3.13Å; S490-P561 VanDerWaalsContact OG-CB 3.3Å; S490-P561 WeakPolarHBondContact OG-CB 3.35Å; S490-P561 WeakPolarHBondContact OG-CG 3.41Å
491R64.9Low83.7Confident245 Ų24561 Ų6193%0.92531%0.306SS*.Hα-helixtrans-71-36.2-166.2-76-170.1-178.9-154.11.6112.6
492E68.9Low84Confident183 Ų18360 Ų6086%0.85530%0.296SS*.Hα-helixtrans-93.2-34.3-178-60.1-172.1174.300111.9S490S490-E492 PolarHBondContact O-N 3.32Å
493N79.1Confident84.1Confident65 Ų6560.3 Ų60.335%0.34829%0.293SS..Hα-helixtrans-113.725-172.4-66.4-33.3000114.9I486 A495 Q496 A497I486-N493 HydrophobicContact CD1-CB 4.06Å; I486-N493 HydrophobicContact CG2-CB 4.17Å; N493-A495 PolarHBondContact O-N 2.98Å; N493-A495 VanDerWaalsContact O-N 3.07Å; N493-Q496 PolarHBondContact O-N 3.41Å; N493-A497 PolarHBondContact O-N 3.22Å
494C85.7Confident84.3Confident32 Ų3260.3 Ų60.322%0.21629%0.293CS..Hα-helixtrans-48.4-41.1-176.2-167.70000114S490 K498S490-C494 WeakPolarHBondContact O-CA 3.25Å; S490-C494 VanDerWaalsContact O-CB 3.25Å; S490-C494 WeakPolarHBondContact O-CB 3.32Å; S490-C494 PolarHBondContact O-N 3.17Å; S490-C494 VanDerWaalsContact O-N 3.13Å; C494-K498 WeakPolarHBondContact O-CB 3.38Å; C494-K498 WeakPolarHBondContact O-CE 3.49Å; C494-K498 VanDerWaalsContact O-CG 3.27Å; C494-K498 WeakPolarHBondContact O-CG 3.38Å; C494-K498 PolarHBondContact O-N 2.94Å; C494-K498 VanDerWaalsContact O-N 3.07Å; C494-K498 VanDerWaalsContact SG-CE 3.51Å
495A85.9Confident84.7Confident76 Ų7659.2 Ų59.263%0.62829%0.286SS*.Hα-helixtrans-66.8-46179.700000112.4N493 K498 S499N493-A495 PolarHBondContact O-N 2.98Å; N493-A495 VanDerWaalsContact O-N 3.07Å; A495-K498 PolarHBondContact O-N 2.71Å; A495-S499 PolarHBondContact O-N 3.36Å
496Q86.7Confident84.9Confident84 Ų8455.8 Ų55.839%0.39327%0.272SS..Hα-helixtrans-65.8-43.8177.8-69.6-175.9-400111.2I426 I486 N493 K498 S499 A500I426-Q496 HydrophobicContact CD1-CB 3.87Å; I486-Q496 HydrophobicContact CD1-CB 4.46Å; I486-Q496 HydrophobicContact CG2-CB 4.12Å; N493-Q496 PolarHBondContact O-N 3.41Å; Q496-K498 VanDerWaalsContact C-N 3.32Å; Q496-K498 PolarHBondContact O-N 2.93Å; Q496-S499 PolarHBondContact O-N 3.27Å; Q496-S499 VanDerWaalsContact O-N 3.1Å; Q496-A500 WeakPolarHBondContact O-CB 3.44Å; Q496-A500 PolarHBondContact O-N 3.1Å
497A90.5Very high85Confident0 Ų058.9 Ų58.90%028%0.282CS..Hα-helixtrans-58.1-44.117700000112.1I486 L487 N493 A500 I501 Y562I486-A497 HydrophobicContact CG2-CB 3.88Å; I486-A497 WeakPolarHBondContact O-CB 3.27Å; L487-A497 VanDerWaalsContact CD2-O 3.3Å; L487-A497 WeakPolarHBondContact CD2-O 3.38Å; N493-A497 PolarHBondContact O-N 3.22Å; A497-A500 PolarHBondContact O-N 3.39Å; A497-I501 WeakPolarHBondContact O-CG2 3.38Å; A497-I501 PolarHBondContact O-N 2.98Å; A497-Y562 HydrophobicContact CB-CD1 4.33Å; A497-Y562 HydrophobicContact CB-CE1 3.61Å; A497-Y562 HydrophobicContact CB-CE2 4.34Å
498K91.4Very high85.3Confident55 Ų5558.9 Ų58.924%0.23928%0.282CS..Hα-helixtrans-61.7-43.1173.9-75.2-177.1-75.8-176.80112.2C494 A495 Q496 I501 L502 Y562 Q565 I566C494-K498 WeakPolarHBondContact O-CB 3.38Å; C494-K498 WeakPolarHBondContact O-CE 3.49Å; C494-K498 VanDerWaalsContact O-CG 3.27Å; C494-K498 WeakPolarHBondContact O-CG 3.38Å; C494-K498 PolarHBondContact O-N 2.94Å; C494-K498 VanDerWaalsContact O-N 3.07Å; C494-K498 VanDerWaalsContact SG-CE 3.51Å; A495-K498 PolarHBondContact O-N 2.71Å; Q496-K498 VanDerWaalsContact C-N 3.32Å; Q496-K498 PolarHBondContact O-N 2.93Å; K498-I501 WeakPolarHBondContact O-CG2 3.41Å; K498-L502 VanDerWaalsContact O-CB 3.28Å; K498-L502 WeakPolarHBondContact O-CB 3.47Å; K498-L502 WeakPolarHBondContact O-CG 3.28Å; K498-L502 PolarHBondContact O-N 3.48Å; K498-L502 VanDerWaalsContact O-N 3.13Å; K498-Y562 HydrophobicContact CG-CD2 3.78Å; K498-Y562 HydrophobicContact CG-CE2 4.39Å; K498-Y562 HydrophobicContact CG-CG 4.24Å; K498-Q565 HydrophobicContact CD-CB 4.28Å; K498-I566 HydrophobicContact CB-CG2 4.22Å; K498-I566 HydrophobicContact CD-CG2 3.93Å; K498-I566 HydrophobicContact CG-CG2 3.64Å
499S88.9Confident85.7Confident39 Ų3956.5 Ų56.527%0.27328%0.276SS..Hα-helixtrans-65.2-44.6178.6-151.60000111.9E427 A495 Q496 L502 Y503E427-S499 WeakPolarHBondContact OE1-CB 3.48Å; E427-S499 PolarHBondContact OE1-OG 2.77Å; A495-S499 PolarHBondContact O-N 3.36Å; Q496-S499 PolarHBondContact O-N 3.27Å; Q496-S499 VanDerWaalsContact O-N 3.1Å; S499-L502 PolarHBondContact O-N 3.24Å; S499-Y503 VanDerWaalsContact O-CB 3.28Å; S499-Y503 WeakPolarHBondContact O-CB 3.37Å; S499-Y503 PolarHBondContact O-N 3.47Å
500A90.8Very high86.4Confident0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-59.5-51178.300000112.8I426 L487 Q496 A497 L502 Y503 F504I426-A500 HydrophobicContact CD1-CB 3.68Å; I426-A500 HydrophobicContact CG1-CB 3.88Å; L487-A500 HydrophobicContact CD1-CB 4.46Å; L487-A500 HydrophobicContact CD2-CB 3.85Å; L487-A500 HydrophobicContact CG-CB 4.24Å; Q496-A500 WeakPolarHBondContact O-CB 3.44Å; Q496-A500 PolarHBondContact O-N 3.1Å; A497-A500 PolarHBondContact O-N 3.39Å; A500-L502 VanDerWaalsContact C-N 3.35Å; A500-L502 PolarHBondContact O-N 3.05Å; A500-Y503 WeakPolarHBondContact O-CB 3.47Å; A500-Y503 PolarHBondContact O-N 3.25Å; A500-F504 WeakPolarHBondContact O-CD2 3.37Å; A500-F504 PolarHBondContact O-N 3.23Å; A500-F504 VanDerWaalsContact O-N 3.14Å
501I93.9Very high87.3Confident0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-65.7-41.3-178.1-168.156.7000111.3L487 A497 K498 Y503 F504 L505 L523 L527 L557 L560 Y562 I566L487-I501 HydrophobicContact CD2-CB 3.77Å; A497-I501 WeakPolarHBondContact O-CG2 3.38Å; A497-I501 PolarHBondContact O-N 2.98Å; K498-I501 WeakPolarHBondContact O-CG2 3.41Å; I501-Y503 VanDerWaalsContact C-N 3.26Å; I501-Y503 PolarHBondContact O-N 2.84Å; I501-F504 PolarHBondContact O-N 3.07Å; I501-L505 HydrophobicContact CG1-CD1 4.04Å; I501-L505 HydrophobicContact CG1-CG 4.44Å; I501-L505 WeakPolarHBondContact O-CB 3.19Å; I501-L505 VanDerWaalsContact O-CG 3.24Å; I501-L505 WeakPolarHBondContact O-CG 3.37Å; I501-L505 PolarHBondContact O-N 3.29Å; I501-L523 HydrophobicContact CD1-CD2 3.75Å; I501-L527 HydrophobicContact CD1-CD1 4.25Å; I501-L527 HydrophobicContact CD1-CD2 3.88Å; I501-L527 HydrophobicContact CD1-CG 4.36Å; I501-L557 HydrophobicContact CD1-CD1 4.17Å; I501-L557 HydrophobicContact CG1-CD1 3.94Å; I501-L560 HydrophobicContact CG1-CD1 4.25Å; I501-Y562 HydrophobicContact CG2-CE2 4.14Å; I501-I566 HydrophobicContact CG2-CD1 3.82Å
502L94Very high88.1Confident36 Ų3648.2 Ų48.219%0.18825%0.254CS..Hα-helixtrans-66.6-32.2177-69.6176.9000111.1K498 S499 A500 L505 N506 R569 I573K498-L502 VanDerWaalsContact O-CB 3.28Å; K498-L502 WeakPolarHBondContact O-CB 3.47Å; K498-L502 WeakPolarHBondContact O-CG 3.28Å; K498-L502 PolarHBondContact O-N 3.48Å; K498-L502 VanDerWaalsContact O-N 3.13Å; S499-L502 PolarHBondContact O-N 3.24Å; A500-L502 VanDerWaalsContact C-N 3.35Å; A500-L502 PolarHBondContact O-N 3.05Å; L502-L505 HydrophobicContact CD2-CD1 4.45Å; L502-L505 PolarHBondContact O-N 3.41Å; L502-N506 WeakPolarHBondContact O-CB 3.46Å; L502-N506 PolarHBondContact O-N 2.97Å; L502-N506 PolarHBondContact O-ND2 3.37Å; L502-R569 HydrophobicContact CD1-CG 4.09Å; L502-R569 HydrophobicContact CD2-CB 4.04Å; L502-R569 HydrophobicContact CD2-CG 3.57Å; L502-R569 HydrophobicContact CG-CG 4.47Å; L502-I573 HydrophobicContact CD2-CD1 3.88Å
503Y91.7Very high88.7Confident37 Ų3744.2 Ų44.215%0.14523%0.231CC..Hα-helixtrans-62.6-52175.5-167-86.5000111.5E427 C430 E431 I434 S499 A500 I501 L505 N506 R507E427-Y503 HydrophobicContact CB-CD2 3.55Å; E427-Y503 HydrophobicContact CB-CE2 3.65Å; E427-Y503 HydrophobicContact CB-CG 4.32Å; E427-Y503 HydrophobicContact CG-CD2 3.74Å; E427-Y503 HydrophobicContact CG-CE2 4.27Å; E427-Y503 WeakPolarHBondContact O-CE1 3.22Å; C430-Y503 HydrophobicContact CB-CD1 3.34Å; C430-Y503 HydrophobicContact CB-CE1 3.88Å; C430-Y503 HydrophobicContact CB-CG 4.01Å; E431-Y503 HydrophobicContact CB-CE1 4.09Å; E431-Y503 WeakPolarHBondContact CB-OH 3.24Å; E431-Y503 VanDerWaalsContact CD-OH 3.22Å; E431-Y503 WeakPolarHBondContact OE2-CE1 3.33Å; E431-Y503 VanDerWaalsContact OE2-CZ 3.26Å; E431-Y503 PolarHBondContact OE2-OH 3.16Å; I434-Y503 HydrophobicContact CD1-CD1 4.4Å; I434-Y503 HydrophobicContact CD1-CE1 4.18Å; S499-Y503 VanDerWaalsContact O-CB 3.28Å; S499-Y503 WeakPolarHBondContact O-CB 3.37Å; S499-Y503 PolarHBondContact O-N 3.47Å; A500-Y503 WeakPolarHBondContact O-CB 3.47Å; A500-Y503 PolarHBondContact O-N 3.25Å; I501-Y503 VanDerWaalsContact C-N 3.26Å; I501-Y503 PolarHBondContact O-N 2.84Å; Y503-L505 PolarHBondContact O-N 3.08Å; Y503-N506 PolarHBondContact O-N 2.85Å; Y503-R507 PolarHBondContact O-N 2.91Å; Y503-R507 PolarHBondContact OH-NH2 2.93Å
504F93.2Very high88.8Confident0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-59.7-45.8174.9-77.4-74.1000111.9C430 L433 I434 V483 A500 I501 N506 R507 V519 L522 L523C430-F504 HydrophobicContact CB-CD2 4.42Å; C430-F504 HydrophobicContact CB-CE2 4Å; C430-F504 HydrophobicContact CB-CZ 4.11Å; C430-F504 VanDerWaalsContact SG-CE2 3.51Å; L433-F504 HydrophobicContact CB-CZ 4.47Å; I434-F504 HydrophobicContact CD1-CD1 3.88Å; I434-F504 HydrophobicContact CD1-CE1 4.05Å; I434-F504 HydrophobicContact CG1-CD1 3.89Å; I434-F504 HydrophobicContact CG1-CE1 3.64Å; V483-F504 HydrophobicContact CG1-CE2 4.26Å; A500-F504 WeakPolarHBondContact O-CD2 3.37Å; A500-F504 PolarHBondContact O-N 3.23Å; A500-F504 VanDerWaalsContact O-N 3.14Å; I501-F504 PolarHBondContact O-N 3.07Å; F504-N506 PolarHBondContact O-N 3.26Å; F504-R507 WeakPolarHBondContact O-CB 3.18Å; F504-R507 PolarHBondContact O-N 3.5Å; F504-V519 VanDerWaalsContact O-CG1 3.23Å; F504-V519 WeakPolarHBondContact O-CG1 3.47Å; F504-L522 HydrophobicContact CE1-CB 4.42Å; F504-L523 HydrophobicContact CB-CD1 4.35Å; F504-L523 HydrophobicContact CB-CD2 3.47Å; F504-L523 VanDerWaalsContact CB-CD2 3.47Å; F504-L523 HydrophobicContact CB-CG 3.89Å; F504-L523 HydrophobicContact CG-CD2 4.15Å
505L95.2Very high88.6Confident0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-61.7-41.1-179.7-72.5171.8000112.5I501 L502 Y503 R507 L508 L523 W552 V570 I573I501-L505 HydrophobicContact CG1-CD1 4.04Å; I501-L505 HydrophobicContact CG1-CG 4.44Å; I501-L505 WeakPolarHBondContact O-CB 3.19Å; I501-L505 VanDerWaalsContact O-CG 3.24Å; I501-L505 WeakPolarHBondContact O-CG 3.37Å; I501-L505 PolarHBondContact O-N 3.29Å; L502-L505 HydrophobicContact CD2-CD1 4.45Å; L502-L505 PolarHBondContact O-N 3.41Å; Y503-L505 PolarHBondContact O-N 3.08Å; L505-R507 PolarHBondContact O-N 3.31Å; L505-R507 VanDerWaalsContact O-N 3.13Å; L505-L508 HydrophobicContact CD2-CD1 3.74Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 WeakPolarHBondContact O-CG 3.37Å; L505-L508 PolarHBondContact O-N 2.66Å; L505-L523 HydrophobicContact CD2-CD1 4.05Å; L505-W552 HydrophobicContact CD2-CH2 4.36Å; L505-W552 HydrophobicContact CD2-CZ3 4.06Å; L505-V570 HydrophobicContact CD1-CG1 4.39Å; L505-V570 HydrophobicContact CD1-CG2 3.81Å; L505-I573 HydrophobicContact CB-CD1 3.91Å; L505-I573 HydrophobicContact CB-CG2 4.14Å; L505-I573 WeakPolarHBondContact O-CG2 3.32Å
506N92.4Very high88.7Confident44 Ų4440.6 Ų40.624%0.23520%0.2CC..Hα-helixtrans-62.5-19.5176.5-80.8-68.7000112.4L502 Y503 F504 L508 H509L502-N506 WeakPolarHBondContact O-CB 3.46Å; L502-N506 PolarHBondContact O-N 2.97Å; L502-N506 PolarHBondContact O-ND2 3.37Å; Y503-N506 PolarHBondContact O-N 2.85Å; F504-N506 PolarHBondContact O-N 3.26Å; N506-L508 VanDerWaalsContact C-N 3.29Å; N506-H509 PolarHBondContact O-CD2 3.24Å; N506-H509 PolarHBondContact O-CE1 2.89Å; N506-H509 PolarHBondContact O-NE2 3.33Å
507R90.4Very high88.7Confident75 Ų7537.8 Ų37.828%0.28319%0.189SC..G310 helixtrans-81.1-8.1174.5-62.2-67.1179.4126.8-1.1113.4E431 I434 Y503 F504 L505 H509 A510 V519E431-R507 IonicContact OE1-CZ 2.75Å; E431-R507 VanDerWaalsContact OE1-CZ 3.3Å; E431-R507 IonicContact OE1-NH1 2.92Å; E431-R507 PolarHBondContact OE1-NH1 2.9Å; E431-R507 IonicContact OE1-NH2 3.67Å; E431-R507 PolarHBondContact OE1-NH2 3.42Å; E431-R507 IonicContact OE2-CZ 2.79Å; E431-R507 IonicContact OE2-NE 3.22Å; E431-R507 IonicContact OE2-NH1 2.77Å; E431-R507 PolarHBondContact OE2-NH1 3.46Å; E431-R507 IonicContact OE2-NH2 3.86Å; E431-R507 PolarHBondContact OE2-NH2 3.14Å; I434-R507 HydrophobicContact CD1-CB 4.39Å; I434-R507 HydrophobicContact CD1-CG 3.93Å; Y503-R507 PolarHBondContact O-N 2.91Å; Y503-R507 PolarHBondContact OH-NH2 2.93Å; F504-R507 WeakPolarHBondContact O-CB 3.18Å; F504-R507 PolarHBondContact O-N 3.5Å; L505-R507 PolarHBondContact O-N 3.31Å; L505-R507 VanDerWaalsContact O-N 3.13Å; R507-H509 PolarHBondContact O-N 3.16Å; R507-A510 WeakPolarHBondContact O-CB 3.28Å; R507-A510 PolarHBondContact O-N 3.43Å; R507-V519 HydrophobicContact CB-CB 4.42Å; R507-V519 HydrophobicContact CB-CG1 3.96Å; R507-V519 HydrophobicContact CB-CG2 3.69Å
508L92.3Very high88.5Confident1 Ų138.6 Ų38.61%0.00519%0.193CC..G310 helixtrans-68.3-16.4172.5-65.2-179.3000114.1L505 N506 R516 V519 L520 L523 W552 L574L505-L508 HydrophobicContact CD2-CD1 3.74Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 WeakPolarHBondContact O-CG 3.37Å; L505-L508 PolarHBondContact O-N 2.66Å; N506-L508 VanDerWaalsContact C-N 3.29Å; L508-R516 WeakPolarHBondContact O-CD 3.34Å; L508-R516 VanDerWaalsContact O-CG 3.29Å; L508-R516 WeakPolarHBondContact O-CG 3.37Å; L508-V519 HydrophobicContact CD2-CB 4.38Å; L508-V519 HydrophobicContact CD2-CG1 3.82Å; L508-V519 HydrophobicContact CG-CG1 4.35Å; L508-L520 HydrophobicContact CD1-CD2 4.4Å; L508-L520 HydrophobicContact CD2-CD1 4.48Å; L508-L520 HydrophobicContact CD2-CD2 3.45Å; L508-L520 VanDerWaalsContact CD2-CD2 3.45Å; L508-L520 HydrophobicContact CD2-CG 3.54Å; L508-L523 HydrophobicContact CD1-CD1 4.02Å; L508-L523 HydrophobicContact CD2-CD1 3.93Å; L508-L523 HydrophobicContact CG-CD1 4.06Å; L508-W552 HydrophobicContact CD1-CH2 3.93Å; L508-L574 HydrophobicContact CD1-CD2 4.31Å
509H88.6Confident88.4Confident53 Ų5336.1 Ų36.125%0.24518%0.182CC..G310 helixtrans-103.222.8174.870.669.2000112.6N506 R507 K576 F580N506-H509 PolarHBondContact O-CD2 3.24Å; N506-H509 PolarHBondContact O-CE1 2.89Å; N506-H509 PolarHBondContact O-NE2 3.33Å; R507-H509 PolarHBondContact O-N 3.16Å; H509-K576 HydrophobicContact CB-CB 4.4Å; H509-F580 HydrophobicContact CB-CD2 4.22Å; H509-F580 WeakPolarHBondContact O-CD2 3.25Å
510A86.5Confident88.4Confident23 Ų2334.6 Ų34.619%0.1917%0.171CC..  trans-59145170.900000110.9R507 S512 D515 R516R507-A510 WeakPolarHBondContact O-CB 3.28Å; R507-A510 PolarHBondContact O-N 3.43Å; A510-S512 VanDerWaalsContact C-N 3.32Å; A510-S512 PolarHBondContact O-N 2.84Å; A510-D515 HydrophobicContact CB-CB 4.08Å; A510-R516 HydrophobicContact CB-CG 4.1Å; A510-R516 WeakPolarHBondContact O-CD 3.43Å; A510-R516 WeakPolarHBondContact O-CG 3.19Å; A510-R516 PolarHBondContact O-NH1 3.31Å
511E81.8Confident88.3Confident167 Ų16736.5 Ų36.578%0.7818%0.181SC*.SBendtrans-64.2-39.2-179.2-62.3-173.4171.200111.8Y513 R516 F580E511-Y513 PolarHBondContact O-N 3.38Å; E511-R516 PolarHBondContact O-NH1 3.12Å; E511-F580 HydrophobicContact CG-CD1 4.23Å; E511-F580 HydrophobicContact CG-CE1 3.82Å; E511-F580 HydrophobicContact CG-CZ 4.43Å
512S81.9Confident88.2Confident43 Ų4336.5 Ų36.530%0.30118%0.181SC..SBendtrans-70125.4177.1177.20000111.7A510 V514 D515 R516A510-S512 VanDerWaalsContact C-N 3.32Å; A510-S512 PolarHBondContact O-N 2.84Å; S512-V514 PolarHBondContact O-N 3.29Å; S512-V514 PolarHBondContact OG-N 3.36Å; S512-D515 WeakPolarHBondContact CB-OD2 3.25Å; S512-D515 PolarHBondContact O-N 3.46Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.4Å; S512-R516 PolarHBondContact O-NH1 2.89Å
513Y82.2Confident88Confident98 Ų9834.8 Ų34.838%0.38417%0.172SC..Hα-helixtrans-60-33.3173.1170.4-98.1000112.8E511 T517E511-Y513 PolarHBondContact O-N 3.38Å; Y513-T517 PolarHBondContact O-N 2.94Å; Y513-T517 VanDerWaalsContact O-N 3.12Å; Y513-T517 PolarHBondContact O-OG1 3.31Å
514V80.2Confident87.8Confident29 Ų2936.5 Ų36.518%0.17618%0.181CC..Hα-helixtrans-67.4-48-177.4-171.90000109.9N452 S454 S512 R516 T517 L518N452-V514 HydrophobicContact CB-CB 4.42Å; N452-V514 HydrophobicContact CB-CG1 3.66Å; N452-V514 HydrophobicContact CB-CG2 4.15Å; N452-V514 VanDerWaalsContact O-CG1 3.25Å; N452-V514 WeakPolarHBondContact O-CG1 3.45Å; N452-V514 WeakPolarHBondContact O-CG2 3.49Å; S454-V514 WeakPolarHBondContact OG-CG1 3.25Å; S512-V514 PolarHBondContact O-N 3.29Å; S512-V514 PolarHBondContact OG-N 3.36Å; V514-R516 PolarHBondContact O-N 3.11Å; V514-T517 PolarHBondContact O-N 2.85Å; V514-T517 VanDerWaalsContact O-N 3.16Å; V514-L518 PolarHBondContact O-N 3.09Å
515D81.8Confident87.5Confident64 Ų6440.3 Ų40.334%0.34220%0.198SC..Hα-helixtrans-64.8-41.7-178.5-60.5-20.5000110.8S454 A510 S512 T517 L518 V519S454-D515 PolarHBondContact OG-OD1 3.46Å; A510-D515 HydrophobicContact CB-CB 4.08Å; S512-D515 WeakPolarHBondContact CB-OD2 3.25Å; S512-D515 PolarHBondContact O-N 3.46Å; D515-T517 VanDerWaalsContact C-N 3.32Å; D515-T517 PolarHBondContact O-N 3Å; D515-L518 PolarHBondContact O-N 2.9Å; D515-V519 WeakPolarHBondContact O-CB 3.18Å; D515-V519 WeakPolarHBondContact O-CG2 3.46Å; D515-V519 PolarHBondContact O-N 3.13Å
516R88.3Confident87Confident5 Ų540.5 Ų40.52%0.01920%0.199CC..Hα-helixtrans-58.1-44.1173.7-66.6-165.7-59.5-86.16.8112.1L508 A510 E511 S512 V514 V519 L520 F580 E581L508-R516 WeakPolarHBondContact O-CD 3.34Å; L508-R516 VanDerWaalsContact O-CG 3.29Å; L508-R516 WeakPolarHBondContact O-CG 3.37Å; A510-R516 HydrophobicContact CB-CG 4.1Å; A510-R516 WeakPolarHBondContact O-CD 3.43Å; A510-R516 WeakPolarHBondContact O-CG 3.19Å; A510-R516 PolarHBondContact O-NH1 3.31Å; E511-R516 PolarHBondContact O-NH1 3.12Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.4Å; S512-R516 PolarHBondContact O-NH1 2.89Å; V514-R516 PolarHBondContact O-N 3.11Å; R516-V519 PolarHBondContact O-N 3.29Å; R516-L520 VanDerWaalsContact O-CG 3.31Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 3.36Å; R516-F580 PolarHBondContact NH2-O 3Å; R516-E581 IonicContact NE-OE2 3.17Å
517T85.6Confident86.8Confident25 Ų2538.7 Ų38.715%0.15319%0.189CC..Hα-helixtrans-69.3-39.2-178.1-58.20000111.6Y513 V514 D515 L520 L521 R586Y513-T517 PolarHBondContact O-N 2.94Å; Y513-T517 VanDerWaalsContact O-N 3.12Å; Y513-T517 PolarHBondContact O-OG1 3.31Å; V514-T517 PolarHBondContact O-N 2.85Å; V514-T517 VanDerWaalsContact O-N 3.16Å; D515-T517 VanDerWaalsContact C-N 3.32Å; D515-T517 PolarHBondContact O-N 3Å; T517-L520 WeakPolarHBondContact O-CB 3.26Å; T517-L520 PolarHBondContact O-N 3.46Å; T517-L521 WeakPolarHBondContact O-CG 3.5Å; T517-L521 PolarHBondContact O-N 3.47Å; T517-L521 VanDerWaalsContact O-N 3.11Å; T517-R586 PolarHBondContact OG1-NH1 3.14Å; T517-R586 PolarHBondContact OG1-NH2 3.18Å; T517-R586 VanDerWaalsContact OG1-NH2 3.09Å
518L86.4Confident86.3Confident17 Ų1739.4 Ų39.49%0.08920%0.196CC..Hα-helixtrans-61.8-46.8173.9-178.560.8000111.9I434 P437 L441 A449 V514 D515 L520 L521 L522I434-L518 WeakPolarHBondContact O-CD2 3.47Å; P437-L518 HydrophobicContact CB-CD1 3.61Å; P437-L518 HydrophobicContact CB-CG 4.49Å; P437-L518 HydrophobicContact CG-CD1 4Å; P437-L518 HydrophobicContact CG-CD2 4.36Å; L441-L518 HydrophobicContact CD1-CD1 4.39Å; A449-L518 HydrophobicContact CB-CD1 3.84Å; V514-L518 PolarHBondContact O-N 3.09Å; D515-L518 PolarHBondContact O-N 2.9Å; L518-L520 VanDerWaalsContact C-N 3.26Å; L518-L520 PolarHBondContact O-N 3.13Å; L518-L521 PolarHBondContact O-N 3.39Å; L518-L522 HydrophobicContact CG-CD1 4.26Å; L518-L522 WeakPolarHBondContact O-CG 3.42Å; L518-L522 PolarHBondContact O-N 2.96Å
519V90.7Very high85.2Confident2 Ų243.3 Ų43.31%0.01221%0.21CC..Hα-helixtrans-61.4-37178171.60000111.3I434 F504 R507 L508 D515 R516 L522 L523I434-V519 HydrophobicContact CD1-CG2 4.4Å; I434-V519 HydrophobicContact CG1-CG2 4.49Å; I434-V519 HydrophobicContact CG2-CG2 4.16Å; F504-V519 VanDerWaalsContact O-CG1 3.23Å; F504-V519 WeakPolarHBondContact O-CG1 3.47Å; R507-V519 HydrophobicContact CB-CB 4.42Å; R507-V519 HydrophobicContact CB-CG1 3.96Å; R507-V519 HydrophobicContact CB-CG2 3.69Å; L508-V519 HydrophobicContact CD2-CB 4.38Å; L508-V519 HydrophobicContact CD2-CG1 3.82Å; L508-V519 HydrophobicContact CG-CG1 4.35Å; D515-V519 WeakPolarHBondContact O-CB 3.18Å; D515-V519 WeakPolarHBondContact O-CG2 3.46Å; D515-V519 PolarHBondContact O-N 3.13Å; R516-V519 PolarHBondContact O-N 3.29Å; V519-L522 PolarHBondContact O-N 3.43Å; V519-L523 HydrophobicContact CG1-CD1 4.03Å; V519-L523 HydrophobicContact CG1-CG 4.45Å; V519-L523 WeakPolarHBondContact O-CB 3.26Å; V519-L523 WeakPolarHBondContact O-CG 3.48Å; V519-L523 PolarHBondContact O-N 2.89Å
520L89.6Confident84.1Confident8 Ų848.5 Ų48.54%0.04224%0.24CC..Hα-helixtrans-62.8-47174.6-76167.1000112.1L508 R516 T517 L518 L522 L523 E524 W552 R586L508-L520 HydrophobicContact CD1-CD2 4.4Å; L508-L520 HydrophobicContact CD2-CD1 4.48Å; L508-L520 HydrophobicContact CD2-CD2 3.45Å; L508-L520 VanDerWaalsContact CD2-CD2 3.45Å; L508-L520 HydrophobicContact CD2-CG 3.54Å; R516-L520 VanDerWaalsContact O-CG 3.31Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 3.36Å; T517-L520 WeakPolarHBondContact O-CB 3.26Å; T517-L520 PolarHBondContact O-N 3.46Å; L518-L520 VanDerWaalsContact C-N 3.26Å; L518-L520 PolarHBondContact O-N 3.13Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.45Å; L520-L523 PolarHBondContact O-N 3.04Å; L520-E524 WeakPolarHBondContact O-CB 3.17Å; L520-E524 WeakPolarHBondContact O-CG 3.34Å; L520-E524 PolarHBondContact O-N 3.36Å; L520-W552 HydrophobicContact CD2-CH2 4.13Å; L520-W552 HydrophobicContact CD2-CZ2 3.36Å; L520-R586 VanDerWaalsContact CD1-CZ 3.48Å
521L88.4Confident82.7Confident40 Ų4049.7 Ų49.721%0.20925%0.254CS..Hα-helixtrans-59.4-41.4176.9-69.3170.5000111.7L441 A449 T517 L518 K525L441-L521 HydrophobicContact CD1-CB 4.32Å; A449-L521 HydrophobicContact CB-CD1 4.4Å; T517-L521 WeakPolarHBondContact O-CG 3.5Å; T517-L521 PolarHBondContact O-N 3.47Å; T517-L521 VanDerWaalsContact O-N 3.11Å; L518-L521 PolarHBondContact O-N 3.39Å; L521-K525 PolarHBondContact O-N 2.89Å
522L90.1Very high81.4Confident0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-66.2-44.8176.4-66.8172.2000111.8I434 P437 M440 L441 F504 L518 V519 L520 E524 K525 V526I434-L522 HydrophobicContact CB-CD1 4.37Å; I434-L522 HydrophobicContact CG1-CD1 4.1Å; P437-L522 HydrophobicContact CB-CD2 4.25Å; M440-L522 HydrophobicContact CB-CD2 3.84Å; M440-L522 HydrophobicContact CG-CD2 4.49Å; M440-L522 HydrophobicContact SD-CD2 4.09Å; L441-L522 HydrophobicContact CD1-CD2 4.2Å; L441-L522 HydrophobicContact CD2-CD2 4.16Å; L441-L522 HydrophobicContact CG-CD2 3.89Å; F504-L522 HydrophobicContact CE1-CB 4.42Å; L518-L522 HydrophobicContact CG-CD1 4.26Å; L518-L522 WeakPolarHBondContact O-CG 3.42Å; L518-L522 PolarHBondContact O-N 2.96Å; V519-L522 PolarHBondContact O-N 3.43Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.45Å; L522-E524 VanDerWaalsContact C-N 3.34Å; L522-E524 PolarHBondContact O-N 3.44Å; L522-K525 PolarHBondContact O-N 2.8Å; L522-V526 WeakPolarHBondContact O-CB 3.39Å; L522-V526 WeakPolarHBondContact O-CG2 3.04Å; L522-V526 PolarHBondContact O-N 3.15Å
523L90.3Very high80Confident0 Ų047.3 Ų47.30%025%0.253CS..Hα-helixtrans-59.4-44.8176-85.3169.8000111.8I501 F504 L505 L508 V519 L520 K525 V526 L527 W552I501-L523 HydrophobicContact CD1-CD2 3.75Å; F504-L523 HydrophobicContact CB-CD1 4.35Å; F504-L523 HydrophobicContact CB-CD2 3.47Å; F504-L523 VanDerWaalsContact CB-CD2 3.47Å; F504-L523 HydrophobicContact CB-CG 3.89Å; F504-L523 HydrophobicContact CG-CD2 4.15Å; L505-L523 HydrophobicContact CD2-CD1 4.05Å; L508-L523 HydrophobicContact CD1-CD1 4.02Å; L508-L523 HydrophobicContact CD2-CD1 3.93Å; L508-L523 HydrophobicContact CG-CD1 4.06Å; V519-L523 HydrophobicContact CG1-CD1 4.03Å; V519-L523 HydrophobicContact CG1-CG 4.45Å; V519-L523 WeakPolarHBondContact O-CB 3.26Å; V519-L523 WeakPolarHBondContact O-CG 3.48Å; V519-L523 PolarHBondContact O-N 2.89Å; L520-L523 PolarHBondContact O-N 3.04Å; L523-K525 PolarHBondContact O-N 2.89Å; L523-V526 PolarHBondContact O-N 2.52Å; L523-L527 HydrophobicContact CD2-CD1 4.37Å; L523-L527 VanDerWaalsContact O-CB 3.24Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 VanDerWaalsContact O-CG 3.27Å; L523-L527 WeakPolarHBondContact O-CG 3.41Å; L523-L527 PolarHBondContact O-N 3.45Å; L523-W552 HydrophobicContact CD1-CZ3 4.41Å
524E88.4Confident78.8Confident72 Ų7251.3 Ų51.334%0.33627%0.272SS..Hα-helixtrans-56.9-50175.7-78.9173.4-170.900110.8L520 L522 H528 W552L520-E524 WeakPolarHBondContact O-CB 3.17Å; L520-E524 WeakPolarHBondContact O-CG 3.34Å; L520-E524 PolarHBondContact O-N 3.36Å; L522-E524 VanDerWaalsContact C-N 3.34Å; L522-E524 PolarHBondContact O-N 3.44Å; E524-H528 VanDerWaalsContact O-CB 3.32Å; E524-H528 WeakPolarHBondContact O-CB 3.44Å; E524-H528 PolarHBondContact O-N 3.24Å; E524-W552 HydrophobicContact CG-CB 3.76Å; E524-W552 HydrophobicContact CG-CG 3.63Å; E524-W552 PolarHBondContact OE1-NE1 3.5Å
525K85.9Confident77.8Confident81 Ų8153.6 Ų53.635%0.35229%0.287SS..Hα-helixtrans-63.3-44.4179.4-169.670.3166.6-161.50112.8M440 L441 D442 L521 L522 L523 H528M440-K525 WeakPolarHBondContact O-CE 3.44Å; L441-K525 HydrophobicContact CD2-CB 4.1Å; L441-K525 HydrophobicContact CD2-CG 4.33Å; D442-K525 IonicContact OD2-NZ 3.81Å; D442-K525 PolarHBondContact OD2-NZ 3.3Å; L521-K525 PolarHBondContact O-N 2.89Å; L522-K525 PolarHBondContact O-N 2.8Å; L523-K525 PolarHBondContact O-N 2.89Å; K525-H528 PolarHBondContact O-N 3.16Å
526V86Confident76.7Confident3 Ų354.1 Ų54.12%0.01829%0.287CS..Hα-helixtrans-70.3-36.7-176.3170.90000111.7M440 L487 L522 L523M440-V526 HydrophobicContact CE-CG2 3.44Å; M440-V526 VanDerWaalsContact CE-CG2 3.44Å; M440-V526 HydrophobicContact SD-CG2 3.56Å; M440-V526 VanDerWaalsContact SD-CG2 3.56Å; L487-V526 HydrophobicContact CD1-CG1 3.18Å; L487-V526 HydrophobicContact CG-CG1 4.47Å; L522-V526 WeakPolarHBondContact O-CB 3.39Å; L522-V526 WeakPolarHBondContact O-CG2 3.04Å; L522-V526 PolarHBondContact O-N 3.15Å; L523-V526 PolarHBondContact O-N 2.52Å
527L87.2Confident75.4Confident6 Ų661.7 Ų61.73%0.03132%0.322CS..Hα-helixtrans-83.9-19.1178.5-65.9175.2000113.3I501 L523 R529 W552 S556 L557 L560I501-L527 HydrophobicContact CD1-CD1 4.25Å; I501-L527 HydrophobicContact CD1-CD2 3.88Å; I501-L527 HydrophobicContact CD1-CG 4.36Å; L523-L527 HydrophobicContact CD2-CD1 4.37Å; L523-L527 VanDerWaalsContact O-CB 3.24Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 VanDerWaalsContact O-CG 3.27Å; L523-L527 WeakPolarHBondContact O-CG 3.41Å; L523-L527 PolarHBondContact O-N 3.45Å; L527-R529 PolarHBondContact O-N 2.92Å; L527-W552 HydrophobicContact CD1-CE3 3.98Å; L527-S556 WeakPolarHBondContact O-CB 3.17Å; L527-L557 HydrophobicContact CD1-CB 4.31Å; L527-L557 HydrophobicContact CD1-CD1 4.24Å; L527-L560 HydrophobicContact CD2-CD1 4Å; L527-L560 HydrophobicContact CD2-CD2 4.13Å; L527-L560 HydrophobicContact CD2-CG 4.39Å
528H79.6Confident74.4Confident91 Ų9165.8 Ų65.842%0.42134%0.343SS..  trans-53.9137.1179.9-166.872.5000111.6R488 E524 K525R488-H528 PolarHBondContact NH2-O 2.96Å; E524-H528 VanDerWaalsContact O-CB 3.32Å; E524-H528 WeakPolarHBondContact O-CB 3.44Å; E524-H528 PolarHBondContact O-N 3.24Å; K525-H528 PolarHBondContact O-N 3.16Å
529R70.9Confident74Confident83 Ų8366 Ų6631%0.31334%0.344SS..  trans-127.1140.1174.6-71.3-175.9169.3-176.5-2.8108.6L527 G531 E559L527-R529 PolarHBondContact O-N 2.92Å; R529-G531 PolarHBondContact O-N 3.47Å; R529-E559 IonicContact NH1-OE2 3.93Å
530D64.7Low73.1Confident162 Ų16273.7 Ų73.787%0.86637%0.373SS*.SBendtrans-71.331.5-177.3-64.1-36.3000114.4
531G57.3Low72.6Confident47 Ų4774 Ų7449%0.48538%0.375SS..SBendtrans-148.7144.117900000110.4R529 G533R529-G531 PolarHBondContact O-N 3.47Å; G531-G533 VanDerWaalsContact C-N 3.33Å; G531-G533 PolarHBondContact O-N 3.36Å
532T53.9Low72.5Confident143 Ų14372.5 Ų72.588%0.87737%0.367SS*.  trans-6197.8172.953.90000108.2
533G52.5Low72.4Confident17 Ų1773.2 Ų73.218%0.17537%0.372CS..PPolyproline II helixtrans-55.7147.7173.400000110G531 P535 E559G531-G533 VanDerWaalsContact C-N 3.33Å; G531-G533 PolarHBondContact O-N 3.36Å; G533-P535 WeakPolarHBondContact O-CD 3.42Å; G533-E559 VanDerWaalsContact C-OE1 3.3Å; G533-E559 WeakPolarHBondContact CA-OE1 3.28Å
534K58Low72.2Confident183 Ų18378.3 Ų78.380%0.79641%0.405SS*.PPolyproline II helixtrans-75.7120.8174.9-77.9-173.5-179.6-179.60107F536 E559K534-F536 PolarHBondContact O-N 3.4Å; K534-E559 PolarHBondContact N-OE1 2.97Å
535P57.7Low72.1Confident76 Ų7676.8 Ų76.849%0.49441%0.409SS..PPolyproline II helixtrans-55.7141.4175.6-17.628.4000109.6G533 E537 L539G533-P535 WeakPolarHBondContact O-CD 3.42Å; P535-E537 PolarHBondContact O-N 3.4Å; P535-L539 HydrophobicContact CB-CD1 3.34Å
536F58.8Low72.4Confident76 Ų7673.1 Ų73.133%0.33339%0.393SS..PPolyproline II helixtrans-49.7139.9175.8-173.4-106.9000111.3K534 N538 L539 V558 H597K534-F536 PolarHBondContact O-N 3.4Å; F536-N538 PolarHBondContact O-N 3.28Å; F536-L539 HydrophobicContact CB-CD1 4.2Å; F536-L539 HydrophobicContact CB-CG 4.26Å; F536-L539 WeakPolarHBondContact O-CD1 3.37Å; F536-L539 VanDerWaalsContact O-CG 3.3Å; F536-L539 WeakPolarHBondContact O-CG 3.36Å; F536-V558 HydrophobicContact CB-CG1 4.36Å; F536-V558 HydrophobicContact CD2-CG1 3.56Å; F536-V558 HydrophobicContact CE2-CG1 4.22Å; F536-V558 HydrophobicContact CG-CG1 4.26Å; F536-H597 AromaticContact CE1-CE1 3.9Å; F536-H597 AromaticContact CE2-CE1 3.92Å; F536-H597 AromaticContact CZ-CE1 3.8Å
537E61.8Low72.5Confident164 Ų16474.9 Ų74.977%0.76640%0.402SS*.THydrogen-bonded Turntrans-63.3133.6175.3-68-176171.100109.2P535P535-E537 PolarHBondContact O-N 3.4Å
538N64.8Low72.5Confident110 Ų11082.2 Ų82.259%0.58844%0.436SS*.THydrogen-bonded Turntrans86.225.1-178.2-47.9-47.3000118.2F536 W540F536-N538 PolarHBondContact O-N 3.28Å; N538-W540 PolarHBondContact O-N 2.85Å
539L76.6Confident72.9Confident22 Ų2281.7 Ų81.712%0.11543%0.434CS..G310 helixtrans-71.713.7172.7-71.4164.9000115.5P535 F536 N541 V542 L547 F554 L596P535-L539 HydrophobicContact CB-CD1 3.34Å; F536-L539 HydrophobicContact CB-CD1 4.2Å; F536-L539 HydrophobicContact CB-CG 4.26Å; F536-L539 WeakPolarHBondContact O-CD1 3.37Å; F536-L539 VanDerWaalsContact O-CG 3.3Å; F536-L539 WeakPolarHBondContact O-CG 3.36Å; L539-N541 PolarHBondContact O-N 3.14Å; L539-V542 HydrophobicContact CD2-CB 4.33Å; L539-V542 HydrophobicContact CD2-CG2 3.78Å; L539-V542 PolarHBondContact O-N 2.99Å; L539-L547 HydrophobicContact CD1-CD1 3.91Å; L539-L547 HydrophobicContact CD1-CD2 4.23Å; L539-L547 HydrophobicContact CD2-CD1 4.37Å; L539-F554 HydrophobicContact CD2-CB 4.46Å; L539-F554 HydrophobicContact CD2-CD1 4.2Å; L539-L596 HydrophobicContact CD2-CD1 3.63Å
540W73.3Confident73.9Confident164 Ų16478 Ų7862%0.62142%0.42SS*.G310 helixtrans-63-24.7-177.563.1-90.9000113.5N538 V542 K638N538-W540 PolarHBondContact O-N 2.85Å; W540-V542 VanDerWaalsContact C-N 3.32Å; W540-K638 PolarHBondContact O-NZ 3.49Å
541N78.4Confident75.1Confident15 Ų1574.2 Ų74.28%0.0840%0.397CS..G310 helixtrans-77.3-15.6173.4-75.7-49.5000113.8L539 H592 K638L539-N541 PolarHBondContact O-N 3.14Å; N541-H592 PolarHBondContact O-CE1 2.93Å; N541-H592 PolarHBondContact O-ND1 3.04Å; N541-K638 WeakPolarHBondContact O-CD 3.43Å
542V85.9Confident76.7Confident7 Ų772.3 Ų72.34%0.04238%0.375CS..SBendtrans-91.4136.1177.6-172.80000108.7L539 W540 L546 L547 F554 H592 L596 K638L539-V542 HydrophobicContact CD2-CB 4.33Å; L539-V542 HydrophobicContact CD2-CG2 3.78Å; L539-V542 PolarHBondContact O-N 2.99Å; W540-V542 VanDerWaalsContact C-N 3.32Å; V542-L546 HydrophobicContact CG1-CB 4.15Å; V542-L546 HydrophobicContact CG1-CD2 4.16Å; V542-L546 HydrophobicContact CG1-CG 4.49Å; V542-L547 HydrophobicContact CG1-CB 4.09Å; V542-F554 HydrophobicContact CG1-CE2 4.18Å; V542-F554 HydrophobicContact CG1-CZ 4.17Å; V542-F554 HydrophobicContact CG2-CD1 4.5Å; V542-F554 HydrophobicContact CG2-CE1 4.1Å; V542-F554 HydrophobicContact CG2-CZ 4.44Å; V542-H592 HydrophobicContact CG2-CB 4.21Å; V542-L596 HydrophobicContact CG2-CD1 3.81Å; V542-K638 PolarHBondContact O-NZ 2.71Å
543T87.9Confident78.6Confident16 Ų1665.5 Ų65.510%0.09833%0.333CS..  trans-75.6143173.556.30000110.1G545 L546 L547 V634 L635 K638T543-G545 VanDerWaalsContact C-N 3.28Å; T543-G545 PolarHBondContact O-N 2.9Å; T543-L546 WeakPolarHBondContact O-CB 3.4Å; T543-L546 PolarHBondContact O-N 3.22Å; T543-L546 VanDerWaalsContact OG1-CB 3.24Å; T543-L546 WeakPolarHBondContact OG1-CB 3.44Å; T543-L547 PolarHBondContact O-N 3.03Å; T543-V634 HydrophobicContact CG2-CG1 4.06Å; T543-L635 HydrophobicContact CG2-CB 4.4Å; T543-L635 HydrophobicContact CG2-CD1 4.33Å; T543-K638 HydrophobicContact CG2-CD 3.89Å; T543-K638 HydrophobicContact CG2-CG 4.44Å
544P86.5Confident80.5Confident106 Ų10664.7 Ų64.769%0.68833%0.325SS*.Hα-helixtrans-51.7-42.7-179.8-28.434.7000114L546 L547 E548P544-L546 VanDerWaalsContact C-N 3.3Å; P544-L546 PolarHBondContact O-N 3.36Å; P544-L547 WeakPolarHBondContact O-CB 3.37Å; P544-L547 PolarHBondContact O-N 2.72Å; P544-E548 WeakPolarHBondContact O-CB 2.91Å; P544-E548 PolarHBondContact O-N 3Å
545G87.2Confident81.9Confident41 Ų4156.4 Ų56.442%0.42329%0.29SS..Hα-helixtrans-68.4-24.1178.300000114.7T543 Q549T543-G545 VanDerWaalsContact C-N 3.28Å; T543-G545 PolarHBondContact O-N 2.9Å; G545-Q549 VanDerWaalsContact O-CB 3.3Å; G545-Q549 WeakPolarHBondContact O-CB 3.49Å; G545-Q549 PolarHBondContact O-N 3.4Å
546L90.7Very high83.5Confident3 Ų353.2 Ų53.22%0.01627%0.269CS..Hα-helixtrans-79.4-37.3173-166.275.1000110.7V542 T543 P544 F550 F554 H588 A589 L635V542-L546 HydrophobicContact CG1-CB 4.15Å; V542-L546 HydrophobicContact CG1-CD2 4.16Å; V542-L546 HydrophobicContact CG1-CG 4.49Å; T543-L546 WeakPolarHBondContact O-CB 3.4Å; T543-L546 PolarHBondContact O-N 3.22Å; T543-L546 VanDerWaalsContact OG1-CB 3.24Å; T543-L546 WeakPolarHBondContact OG1-CB 3.44Å; P544-L546 VanDerWaalsContact C-N 3.3Å; P544-L546 PolarHBondContact O-N 3.36Å; L546-F550 HydrophobicContact CD1-CD2 3.68Å; L546-F550 HydrophobicContact CD1-CE2 3.68Å; L546-F550 HydrophobicContact CG-CD2 4.08Å; L546-F550 WeakPolarHBondContact O-CD2 3.37Å; L546-F550 PolarHBondContact O-N 3.21Å; L546-F554 HydrophobicContact CD2-CE2 4.45Å; L546-F554 HydrophobicContact CD2-CZ 4.38Å; L546-F554 HydrophobicContact CG-CE2 4.32Å; L546-H588 HydrophobicContact CD1-CB 4.24Å; L546-H588 HydrophobicContact CD2-CB 4.29Å; L546-A589 HydrophobicContact CD1-CB 4.2Å; L546-A589 HydrophobicContact CD2-CB 4.39Å; L546-A589 HydrophobicContact CG-CB 4.3Å; L546-L635 HydrophobicContact CB-CD1 4.33Å; L546-L635 HydrophobicContact CD1-CD1 4.2Å; L546-L635 HydrophobicContact CD1-CD2 4.35Å; L546-L635 HydrophobicContact CD2-CD1 3.81Å; L546-L635 HydrophobicContact CG-CD1 4.36Å
547L88.5Confident85Confident41 Ų4149.6 Ų49.622%0.21525%0.253CS..Hα-helixtrans-63.1-46.2175179.964.7000111.3L539 V542 T543 P544 F550 E551 F554 V555L539-L547 HydrophobicContact CD1-CD1 3.91Å; L539-L547 HydrophobicContact CD1-CD2 4.23Å; L539-L547 HydrophobicContact CD2-CD1 4.37Å; V542-L547 HydrophobicContact CG1-CB 4.09Å; T543-L547 PolarHBondContact O-N 3.03Å; P544-L547 WeakPolarHBondContact O-CB 3.37Å; P544-L547 PolarHBondContact O-N 2.72Å; L547-F550 CarbonylContact O-C 3.53Å; L547-F550 PolarHBondContact O-N 3.02Å; L547-E551 WeakPolarHBondContact O-CA 3.29Å; L547-E551 PolarHBondContact O-N 2.89Å; L547-F554 HydrophobicContact CD1-CB 3.46Å; L547-F554 VanDerWaalsContact CD1-CB 3.46Å; L547-F554 HydrophobicContact CD1-CD2 4.17Å; L547-F554 HydrophobicContact CD1-CG 4.02Å; L547-V555 HydrophobicContact CD1-CG2 4.18Å
548E87.1Confident86.3Confident159 Ų15942.9 Ų42.974%0.74322%0.224SC*.Hα-helixtrans-63-44.5177.6-174.8179.8-17500111.7P544 F550P544-E548 WeakPolarHBondContact O-CB 2.91Å; P544-E548 PolarHBondContact O-N 3Å; E548-F550 PolarHBondContact O-N 3.45Å
549Q88.5Confident87.4Confident80 Ų8040.5 Ų40.537%0.37421%0.209SC..Hα-helixtrans-70.9-28.4-178.6-173.5173.83.700113.5G545 R585G545-Q549 VanDerWaalsContact O-CB 3.3Å; G545-Q549 WeakPolarHBondContact O-CB 3.49Å; G545-Q549 PolarHBondContact O-N 3.4Å; Q549-R585 VanDerWaalsContact OE1-CD 3.3Å
550F91.9Very high88Confident7 Ų739.9 Ų39.93%0.03121%0.206CC..THydrogen-bonded Turntrans-122.138.9-176.6-62.8-78.6000111.7L546 L547 E548 W552 L553 F554 R585 R586 A589L546-F550 HydrophobicContact CD1-CD2 3.68Å; L546-F550 HydrophobicContact CD1-CE2 3.68Å; L546-F550 HydrophobicContact CG-CD2 4.08Å; L546-F550 WeakPolarHBondContact O-CD2 3.37Å; L546-F550 PolarHBondContact O-N 3.21Å; L547-F550 CarbonylContact O-C 3.53Å; L547-F550 PolarHBondContact O-N 3.02Å; E548-F550 PolarHBondContact O-N 3.45Å; F550-W552 PolarHBondContact O-N 3.17Å; F550-L553 HydrophobicContact CB-CB 4.42Å; F550-L553 WeakPolarHBondContact O-CB 3.23Å; F550-L553 PolarHBondContact O-N 3.46Å; F550-F554 HydrophobicContact CB-CD2 3.95Å; F550-F554 HydrophobicContact CB-CE2 3.85Å; F550-F554 WeakPolarHBondContact O-CD2 3.36Å; F550-F554 PolarHBondContact O-N 3.31Å; F550-R585 HydrophobicContact CE2-CB 4.18Å; F550-R585 HydrophobicContact CZ-CB 4.28Å; F550-R586 HydrophobicContact CE1-CB 4.43Å; F550-R586 HydrophobicContact CE1-CG 3.67Å; F550-R586 HydrophobicContact CZ-CB 4.34Å; F550-R586 HydrophobicContact CZ-CG 3.72Å; F550-A589 HydrophobicContact CB-CB 4.14Å; F550-A589 HydrophobicContact CD1-CB 4.08Å; F550-A589 HydrophobicContact CD2-CB 3.55Å; F550-A589 HydrophobicContact CE1-CB 4.43Å; F550-A589 HydrophobicContact CE2-CB 3.92Å; F550-A589 HydrophobicContact CG-CB 3.64Å; F550-A589 HydrophobicContact CZ-CB 4.34Å
551E89.8Confident88.7Confident81 Ų8135.5 Ų35.538%0.37920%0.198SC..Hα-helixtrans-54.1-39.2-179.1-175.6-176171.900111.7L547 L553 F554 V555 S556L547-E551 WeakPolarHBondContact O-CA 3.29Å; L547-E551 PolarHBondContact O-N 2.89Å; E551-L553 PolarHBondContact O-N 2.93Å; E551-L553 VanDerWaalsContact O-N 3.15Å; E551-F554 PolarHBondContact O-N 3.06Å; E551-V555 HydrophobicContact CG-CB 3.95Å; E551-V555 HydrophobicContact CG-CG2 4Å; E551-V555 WeakPolarHBondContact O-CA 3.39Å; E551-V555 WeakPolarHBondContact O-CB 3.44Å; E551-V555 PolarHBondContact O-N 3.27Å; E551-S556 PolarHBondContact O-N 2.83Å; E551-S556 VanDerWaalsContact O-N 3.16Å
552W91.5Very high89.2Confident7 Ų734.8 Ų34.83%0.02720%0.195CC..Iπ-helixtrans-55.4-35.8178.274.5-95000112.6L505 L508 L520 L523 E524 L527 F550 L557 Y590L505-W552 HydrophobicContact CD2-CH2 4.36Å; L505-W552 HydrophobicContact CD2-CZ3 4.06Å; L508-W552 HydrophobicContact CD1-CH2 3.93Å; L520-W552 HydrophobicContact CD2-CH2 4.13Å; L520-W552 HydrophobicContact CD2-CZ2 3.36Å; L523-W552 HydrophobicContact CD1-CZ3 4.41Å; E524-W552 HydrophobicContact CG-CB 3.76Å; E524-W552 HydrophobicContact CG-CG 3.63Å; E524-W552 PolarHBondContact OE1-NE1 3.5Å; L527-W552 HydrophobicContact CD1-CE3 3.98Å; F550-W552 PolarHBondContact O-N 3.17Å; W552-L557 HydrophobicContact CZ3-CD2 4.46Å; W552-L557 WeakPolarHBondContact O-CB 3.4Å; W552-L557 PolarHBondContact O-N 3.48Å; W552-Y590 HydrophobicContact CZ2-CE1 4.49Å
553L93.5Very high89.4Confident0 Ų035.4 Ų35.40%020%0.197CC..Iπ-helixtrans-82.1-47.6-176.6178.961.6000110.9F550 E551 L557 L574 A589 Y590 Y593F550-L553 HydrophobicContact CB-CB 4.42Å; F550-L553 WeakPolarHBondContact O-CB 3.23Å; F550-L553 PolarHBondContact O-N 3.46Å; E551-L553 PolarHBondContact O-N 2.93Å; E551-L553 VanDerWaalsContact O-N 3.15Å; L553-L557 HydrophobicContact CD1-CD2 4.01Å; L553-L574 HydrophobicContact CD1-CD1 3.99Å; L553-A589 HydrophobicContact CD2-CB 4.18Å; L553-Y590 HydrophobicContact CD2-CD1 3.88Å; L553-Y590 HydrophobicContact CD2-CE1 4.26Å; L553-Y593 HydrophobicContact CD1-CD1 4.08Å; L553-Y593 HydrophobicContact CD1-CD2 3.55Å; L553-Y593 HydrophobicContact CD1-CE1 4.23Å; L553-Y593 HydrophobicContact CD1-CE2 3.72Å; L553-Y593 HydrophobicContact CD1-CG 3.71Å; L553-Y593 HydrophobicContact CD2-CD2 4.21Å; L553-Y593 HydrophobicContact CD2-CG 4.08Å; L553-Y593 HydrophobicContact CG-CD2 3.5Å; L553-Y593 HydrophobicContact CG-CE2 4.05Å; L553-Y593 HydrophobicContact CG-CG 3.82Å; L553-Y593 WeakPolarHBondContact O-CE2 3.41Å
554F91.4Very high89.6Confident1 Ų138.5 Ų38.50%0.00422%0.219CC..Iπ-helixtrans-86.5-21.7-172.4-67.1-65.5000114.5L539 V542 L546 L547 F550 E551 A589 H592 Y593 L596L539-F554 HydrophobicContact CD2-CB 4.46Å; L539-F554 HydrophobicContact CD2-CD1 4.2Å; V542-F554 HydrophobicContact CG1-CE2 4.18Å; V542-F554 HydrophobicContact CG1-CZ 4.17Å; V542-F554 HydrophobicContact CG2-CD1 4.5Å; V542-F554 HydrophobicContact CG2-CE1 4.1Å; V542-F554 HydrophobicContact CG2-CZ 4.44Å; L546-F554 HydrophobicContact CD2-CE2 4.45Å; L546-F554 HydrophobicContact CD2-CZ 4.38Å; L546-F554 HydrophobicContact CG-CE2 4.32Å; L547-F554 HydrophobicContact CD1-CB 3.46Å; L547-F554 VanDerWaalsContact CD1-CB 3.46Å; L547-F554 HydrophobicContact CD1-CD2 4.17Å; L547-F554 HydrophobicContact CD1-CG 4.02Å; F550-F554 HydrophobicContact CB-CD2 3.95Å; F550-F554 HydrophobicContact CB-CE2 3.85Å; F550-F554 WeakPolarHBondContact O-CD2 3.36Å; F550-F554 PolarHBondContact O-N 3.31Å; E551-F554 PolarHBondContact O-N 3.06Å; F554-A589 HydrophobicContact CE2-CB 4.1Å; F554-A589 HydrophobicContact CZ-CB 4.17Å; F554-A589 WeakPolarHBondContact CZ-O 3.17Å; F554-H592 HydrophobicContact CE1-CB 4.21Å; F554-H592 HydrophobicContact CZ-CB 4.08Å; F554-Y593 HydrophobicContact CD1-CD2 4.14Å; F554-Y593 HydrophobicContact CE1-CD2 4.33Å; F554-L596 HydrophobicContact CD1-CD1 4.08Å; F554-L596 HydrophobicContact CE1-CD1 4.06Å
555V89Confident89.8Confident8 Ų839.1 Ų39.15%0.04821%0.213CC..Iπ-helixtrans-120.6-67.3-176.4-173.50000109.5L547 E551 L557 V558 E559L547-V555 HydrophobicContact CD1-CG2 4.18Å; E551-V555 HydrophobicContact CG-CB 3.95Å; E551-V555 HydrophobicContact CG-CG2 4Å; E551-V555 WeakPolarHBondContact O-CA 3.39Å; E551-V555 WeakPolarHBondContact O-CB 3.44Å; E551-V555 PolarHBondContact O-N 3.27Å; V555-L557 PolarHBondContact O-N 2.93Å; V555-V558 PolarHBondContact O-N 3.22Å; V555-E559 HydrophobicContact CG1-CG 4.49Å; V555-E559 WeakPolarHBondContact O-CG 3.28Å; V555-E559 PolarHBondContact O-N 3.26Å
556S89.5Confident90.1Very high9 Ų937.3 Ų37.36%0.06319%0.193CC..Iπ-helixtrans-62.3-40.9-167.9-42.80000113.3L527 E551L527-S556 WeakPolarHBondContact O-CB 3.17Å; E551-S556 PolarHBondContact O-N 2.83Å; E551-S556 VanDerWaalsContact O-N 3.16Å
557L91.5Very high90.1Very high0 Ų039.4 Ų39.40%020%0.202CC..THydrogen-bonded Turntrans-67.8-36.4176.9-174.866.9000112.4I501 L527 W552 L553 V555 L560 F563 V570 Y593I501-L557 HydrophobicContact CD1-CD1 4.17Å; I501-L557 HydrophobicContact CG1-CD1 3.94Å; L527-L557 HydrophobicContact CD1-CB 4.31Å; L527-L557 HydrophobicContact CD1-CD1 4.24Å; W552-L557 HydrophobicContact CZ3-CD2 4.46Å; W552-L557 WeakPolarHBondContact O-CB 3.4Å; W552-L557 PolarHBondContact O-N 3.48Å; L553-L557 HydrophobicContact CD1-CD2 4.01Å; V555-L557 PolarHBondContact O-N 2.93Å; L557-L560 HydrophobicContact CD1-CD1 3.82Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 WeakPolarHBondContact O-CG 3.31Å; L557-L560 PolarHBondContact O-N 3.3Å; L557-F563 WeakPolarHBondContact O-CD2 3.24Å; L557-V570 HydrophobicContact CD2-CG1 3.83Å; L557-V570 HydrophobicContact CD2-CG2 4.34Å; L557-Y593 HydrophobicContact CD2-CE2 4.48Å
558V90Very high90.3Very high24 Ų2441.8 Ų41.815%0.14521%0.212CC..THydrogen-bonded Turntrans-74.5-29.5-178-179.50000111.5F536 V555 L560 F563 Y593F536-V558 HydrophobicContact CB-CG1 4.36Å; F536-V558 HydrophobicContact CD2-CG1 3.56Å; F536-V558 HydrophobicContact CE2-CG1 4.22Å; F536-V558 HydrophobicContact CG-CG1 4.26Å; V555-V558 PolarHBondContact O-N 3.22Å; V558-L560 PolarHBondContact O-N 2.91Å; V558-F563 HydrophobicContact CB-CD1 4.44Å; V558-F563 HydrophobicContact CB-CE1 4.35Å; V558-F563 HydrophobicContact CG1-CD1 3.95Å; V558-F563 HydrophobicContact CG1-CE1 3.83Å; V558-F563 HydrophobicContact CG1-CZ 4.47Å; V558-F563 HydrophobicContact CG2-CE1 4.26Å; V558-F563 HydrophobicContact CG2-CE2 4.43Å; V558-F563 HydrophobicContact CG2-CZ 4.07Å; V558-Y593 HydrophobicContact CG2-CE2 4.11Å
559E87.2Confident90.6Very high60 Ų6039.1 Ų39.128%0.2820%0.195SC..THydrogen-bonded Turntrans-75.1-4.7175.5-71.7-165.9158.100114.4R529 G533 K534 V555R529-E559 IonicContact NH1-OE2 3.93Å; G533-E559 VanDerWaalsContact C-OE1 3.3Å; G533-E559 WeakPolarHBondContact CA-OE1 3.28Å; K534-E559 PolarHBondContact N-OE1 2.97Å; V555-E559 HydrophobicContact CG1-CG 4.49Å; V555-E559 WeakPolarHBondContact O-CG 3.28Å; V555-E559 PolarHBondContact O-N 3.26Å
560L88.6Confident90.9Very high9 Ų935.3 Ų35.35%0.04718%0.178CC..SBendtrans-63.7129.5174.4-64.9180000109.5I501 L527 L557 V558 Y562 F563 I566I501-L560 HydrophobicContact CG1-CD1 4.25Å; L527-L560 HydrophobicContact CD2-CD1 4Å; L527-L560 HydrophobicContact CD2-CD2 4.13Å; L527-L560 HydrophobicContact CD2-CG 4.39Å; L557-L560 HydrophobicContact CD1-CD1 3.82Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 WeakPolarHBondContact O-CG 3.31Å; L557-L560 PolarHBondContact O-N 3.3Å; V558-L560 PolarHBondContact O-N 2.91Å; L560-Y562 HydrophobicContact CB-CD2 4.49Å; L560-Y562 HydrophobicContact CB-CE2 4.17Å; L560-Y562 HydrophobicContact CD1-CE2 3.85Å; L560-Y562 PolarHBondContact O-N 2.9Å; L560-F563 HydrophobicContact CB-CB 4.34Å; L560-F563 WeakPolarHBondContact O-CB 3.33Å; L560-F563 PolarHBondContact O-N 3.43Å; L560-I566 HydrophobicContact CD1-CD1 4.42Å
561P87.3Confident91.1Very high71 Ų7135.3 Ų35.346%0.46118%0.178SC..THydrogen-bonded Turntrans-63.4-18.2-176.325.5-37.7000114.2S490S490-P561 VanDerWaalsContact OG-CB 3.3Å; S490-P561 WeakPolarHBondContact OG-CB 3.35Å; S490-P561 WeakPolarHBondContact OG-CG 3.41Å
562Y89.8Confident91.2Very high1 Ų135.4 Ų35.40%0.00418%0.179CC..THydrogen-bonded Turntrans-103.711.5174.648.6-93.4000113.1L487 A497 K498 I501 L560 S564 Q565 I566L487-Y562 WeakPolarHBondContact CD2-OH 3.46Å; L487-Y562 PolarHBondContact O-OH 3.36Å; A497-Y562 HydrophobicContact CB-CD1 4.33Å; A497-Y562 HydrophobicContact CB-CE1 3.61Å; A497-Y562 HydrophobicContact CB-CE2 4.34Å; K498-Y562 HydrophobicContact CG-CD2 3.78Å; K498-Y562 HydrophobicContact CG-CE2 4.39Å; K498-Y562 HydrophobicContact CG-CG 4.24Å; I501-Y562 HydrophobicContact CG2-CE2 4.14Å; L560-Y562 HydrophobicContact CB-CD2 4.49Å; L560-Y562 HydrophobicContact CB-CE2 4.17Å; L560-Y562 HydrophobicContact CD1-CE2 3.85Å; L560-Y562 PolarHBondContact O-N 2.9Å; Y562-S564 VanDerWaalsContact C-N 3.28Å; Y562-S564 PolarHBondContact O-N 3.33Å; Y562-Q565 WeakPolarHBondContact O-CB 3.3Å; Y562-Q565 PolarHBondContact O-N 2.94Å; Y562-I566 HydrophobicContact CD2-CD1 4.12Å; Y562-I566 HydrophobicContact CD2-CG2 4.47Å; Y562-I566 HydrophobicContact CE2-CD1 4.15Å
563F91.1Very high91.4Very high20 Ų2035.1 Ų35.19%0.08818%0.177CC..Hα-helixtrans-52.5-43.6-177.6174-117000113L557 V558 L560 Q565 I566 K567 Y593 H597L557-F563 WeakPolarHBondContact O-CD2 3.24Å; V558-F563 HydrophobicContact CB-CD1 4.44Å; V558-F563 HydrophobicContact CB-CE1 4.35Å; V558-F563 HydrophobicContact CG1-CD1 3.95Å; V558-F563 HydrophobicContact CG1-CE1 3.83Å; V558-F563 HydrophobicContact CG1-CZ 4.47Å; V558-F563 HydrophobicContact CG2-CE1 4.26Å; V558-F563 HydrophobicContact CG2-CE2 4.43Å; V558-F563 HydrophobicContact CG2-CZ 4.07Å; L560-F563 HydrophobicContact CB-CB 4.34Å; L560-F563 WeakPolarHBondContact O-CB 3.33Å; L560-F563 PolarHBondContact O-N 3.43Å; F563-Q565 PolarHBondContact O-N 3.13Å; F563-I566 HydrophobicContact CD2-CG1 4.35Å; F563-I566 WeakPolarHBondContact O-CG1 3.43Å; F563-I566 PolarHBondContact O-N 2.91Å; F563-K567 HydrophobicContact CD2-CB 4.49Å; F563-K567 HydrophobicContact CE1-CB 4.28Å; F563-K567 HydrophobicContact CE2-CB 3.84Å; F563-K567 HydrophobicContact CZ-CB 3.74Å; F563-K567 PolarHBondContact O-N 3.03Å; F563-Y593 WeakPolarHBondContact CE2-OH 3.15Å; F563-Y593 WeakPolarHBondContact CZ-OH 3.27Å; F563-H597 AromaticContact CE1-CE1 3.79Å; F563-H597 AromaticContact CE1-ND1 3.86Å; F563-H597 AromaticContact CZ-CE1 3.75Å; F563-H597 AromaticContact CZ-ND1 3.78Å; F563-H597 AromaticContact CZ-NE2 3.98Å
564S90.2Very high91.5Very high81 Ų8135.1 Ų35.157%0.56618%0.178SC*.Hα-helixtrans-56.7-24.5179.659.20000114Y562Y562-S564 VanDerWaalsContact C-N 3.28Å; Y562-S564 PolarHBondContact O-N 3.33Å
565Q91.4Very high91.6Very high118 Ų11835.8 Ų35.855%0.55118%0.181SC*.Hα-helixtrans-91.1-17.6-179.4-56.9177.831.500113.3K498 Y562 F563K498-Q565 HydrophobicContact CD-CB 4.28Å; Y562-Q565 WeakPolarHBondContact O-CB 3.3Å; Y562-Q565 PolarHBondContact O-N 2.94Å; F563-Q565 PolarHBondContact O-N 3.13Å
566I92.8Very high91.7Very high3 Ų339.5 Ų39.52%0.01520%0.196CC..Hα-helixtrans-110.1-17.2-17861170.5000113.3K498 I501 L560 Y562 F563 E568 R569 V570K498-I566 HydrophobicContact CB-CG2 4.22Å; K498-I566 HydrophobicContact CD-CG2 3.93Å; K498-I566 HydrophobicContact CG-CG2 3.64Å; I501-I566 HydrophobicContact CG2-CD1 3.82Å; L560-I566 HydrophobicContact CD1-CD1 4.42Å; Y562-I566 HydrophobicContact CD2-CD1 4.12Å; Y562-I566 HydrophobicContact CD2-CG2 4.47Å; Y562-I566 HydrophobicContact CE2-CD1 4.15Å; F563-I566 HydrophobicContact CD2-CG1 4.35Å; F563-I566 WeakPolarHBondContact O-CG1 3.43Å; F563-I566 PolarHBondContact O-N 2.91Å; I566-E568 VanDerWaalsContact C-N 3.3Å; I566-E568 PolarHBondContact O-N 3.06Å; I566-E568 VanDerWaalsContact O-N 3.13Å; I566-R569 CarbonylContact O-C 3.48Å; I566-R569 WeakPolarHBondContact O-CA 3.35Å; I566-R569 WeakPolarHBondContact O-CB 3.42Å; I566-R569 PolarHBondContact O-N 2.89Å; I566-V570 HydrophobicContact CB-CG2 4.4Å; I566-V570 HydrophobicContact CD1-CG2 4.28Å; I566-V570 HydrophobicContact CG1-CG2 4.23Å; I566-V570 WeakPolarHBondContact O-CG2 3.47Å; I566-V570 PolarHBondContact O-N 3.1Å
567K92.5Very high91.8Very high47 Ų4739 Ų3920%0.20419%0.193CC..Hα-helixtrans-47.7-44.6-173.365.6178.5-176.4168.30114.4F563 V570 I571 E599F563-K567 HydrophobicContact CD2-CB 4.49Å; F563-K567 HydrophobicContact CE1-CB 4.28Å; F563-K567 HydrophobicContact CE2-CB 3.84Å; F563-K567 HydrophobicContact CZ-CB 3.74Å; F563-K567 PolarHBondContact O-N 3.03Å; K567-V570 WeakPolarHBondContact O-CB 3.5Å; K567-V570 PolarHBondContact O-N 2.91Å; K567-I571 WeakPolarHBondContact O-CG1 3.37Å; K567-I571 PolarHBondContact O-N 3.44Å; K567-E599 WeakPolarHBondContact CE-OE1 3.46Å; K567-E599 IonicContact NZ-OE1 2.65Å; K567-E599 PolarHBondContact NZ-OE1 3.09Å
568E92.4Very high91.7Very high92 Ų9239.1 Ų39.143%0.4319%0.194SC..Hα-helixtrans-65.1-43.9179.7-68.7179.9-179.500110.9I566 V570 I571 E572I566-E568 VanDerWaalsContact C-N 3.3Å; I566-E568 PolarHBondContact O-N 3.06Å; I566-E568 VanDerWaalsContact O-N 3.13Å; E568-V570 VanDerWaalsContact C-N 3.33Å; E568-V570 PolarHBondContact O-N 3.27Å; E568-I571 WeakPolarHBondContact O-CB 3.32Å; E568-I571 PolarHBondContact O-N 3.39Å; E568-E572 WeakPolarHBondContact O-CG 3.41Å; E568-E572 PolarHBondContact O-N 2.8Å
569R93.3Very high91.5Very high102 Ų10242.4 Ų42.439%0.38521%0.207SC..Hα-helixtrans-67-34.7177.8-170.557.9171.4176.1-3.9112.2L502 I566 E572 I573L502-R569 HydrophobicContact CD1-CG 4.09Å; L502-R569 HydrophobicContact CD2-CB 4.04Å; L502-R569 HydrophobicContact CD2-CG 3.57Å; L502-R569 HydrophobicContact CG-CG 4.47Å; I566-R569 CarbonylContact O-C 3.48Å; I566-R569 WeakPolarHBondContact O-CA 3.35Å; I566-R569 WeakPolarHBondContact O-CB 3.42Å; I566-R569 PolarHBondContact O-N 2.89Å; R569-E572 WeakPolarHBondContact CD-OE2 3.45Å; R569-E572 IonicContact CZ-OE2 3.19Å; R569-E572 IonicContact NE-OE2 2.71Å; R569-E572 IonicContact NH1-OE2 3.23Å; R569-E572 PolarHBondContact NH1-OE2 3.35Å; R569-E572 PolarHBondContact O-N 3.05Å; R569-I573 HydrophobicContact CG-CD1 4.24Å; R569-I573 WeakPolarHBondContact O-CD1 3.41Å; R569-I573 VanDerWaalsContact O-CG1 3.24Å; R569-I573 WeakPolarHBondContact O-CG1 3.48Å; R569-I573 PolarHBondContact O-N 2.95Å
570V95.2Very high91.5Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-60.6-48.7171.9178.40000109.7L505 L557 I566 K567 E568 E572 I573 L574 Y593L505-V570 HydrophobicContact CD1-CG1 4.39Å; L505-V570 HydrophobicContact CD1-CG2 3.81Å; L557-V570 HydrophobicContact CD2-CG1 3.83Å; L557-V570 HydrophobicContact CD2-CG2 4.34Å; I566-V570 HydrophobicContact CB-CG2 4.4Å; I566-V570 HydrophobicContact CD1-CG2 4.28Å; I566-V570 HydrophobicContact CG1-CG2 4.23Å; I566-V570 WeakPolarHBondContact O-CG2 3.47Å; I566-V570 PolarHBondContact O-N 3.1Å; K567-V570 WeakPolarHBondContact O-CB 3.5Å; K567-V570 PolarHBondContact O-N 2.91Å; E568-V570 VanDerWaalsContact C-N 3.33Å; E568-V570 PolarHBondContact O-N 3.27Å; V570-E572 VanDerWaalsContact C-N 3.34Å; V570-E572 PolarHBondContact O-N 3.17Å; V570-I573 PolarHBondContact O-N 3.32Å; V570-I573 VanDerWaalsContact O-N 3.15Å; V570-L574 HydrophobicContact CG1-CD1 3.98Å; V570-L574 HydrophobicContact CG1-CG 4.23Å; V570-L574 WeakPolarHBondContact O-CG 3.24Å; V570-L574 PolarHBondContact O-N 3.25Å; V570-Y593 HydrophobicContact CB-CE1 4.38Å; V570-Y593 HydrophobicContact CG1-CE1 3.57Å
571I94.4Very high91.5Very high8 Ų842.1 Ų42.14%0.04121%0.205CC..Hα-helixtrans-57.9-47.6177.7-66167.4000110.4K567 E568 I573 L574 L575 A594 H597K567-I571 WeakPolarHBondContact O-CG1 3.37Å; K567-I571 PolarHBondContact O-N 3.44Å; E568-I571 WeakPolarHBondContact O-CB 3.32Å; E568-I571 PolarHBondContact O-N 3.39Å; I571-I573 VanDerWaalsContact C-N 3.29Å; I571-I573 PolarHBondContact O-N 3.49Å; I571-L574 PolarHBondContact O-N 3.28Å; I571-L575 HydrophobicContact CG2-CD1 3.7Å; I571-L575 HydrophobicContact CG2-CG 4.13Å; I571-L575 WeakPolarHBondContact O-CB 3.47Å; I571-L575 WeakPolarHBondContact O-CG 3.5Å; I571-L575 PolarHBondContact O-N 3.08Å; I571-A594 HydrophobicContact CG2-CB 4.28Å; I571-H597 HydrophobicContact CD1-CB 3.98Å
572E93.5Very high91.3Very high83 Ų8342 Ų4239%0.38820%0.203SC..Hα-helixtrans-56.4-41.3176.6-71.4177.7175.600113E568 R569 V570 K576E568-E572 WeakPolarHBondContact O-CG 3.41Å; E568-E572 PolarHBondContact O-N 2.8Å; R569-E572 WeakPolarHBondContact CD-OE2 3.45Å; R569-E572 IonicContact CZ-OE2 3.19Å; R569-E572 IonicContact NE-OE2 2.71Å; R569-E572 IonicContact NH1-OE2 3.23Å; R569-E572 PolarHBondContact NH1-OE2 3.35Å; R569-E572 PolarHBondContact O-N 3.05Å; V570-E572 VanDerWaalsContact C-N 3.34Å; V570-E572 PolarHBondContact O-N 3.17Å; E572-K576 WeakPolarHBondContact O-CG 3.32Å; E572-K576 PolarHBondContact O-N 3.37Å
573I94.9Very high91.2Very high0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-67.4-48.3178.4-69.4166.7000110.5L502 L505 R569 V570 I571 L575 K576 C577L502-I573 HydrophobicContact CD2-CD1 3.88Å; L505-I573 HydrophobicContact CB-CD1 3.91Å; L505-I573 HydrophobicContact CB-CG2 4.14Å; L505-I573 WeakPolarHBondContact O-CG2 3.32Å; R569-I573 HydrophobicContact CG-CD1 4.24Å; R569-I573 WeakPolarHBondContact O-CD1 3.41Å; R569-I573 VanDerWaalsContact O-CG1 3.24Å; R569-I573 WeakPolarHBondContact O-CG1 3.48Å; R569-I573 PolarHBondContact O-N 2.95Å; V570-I573 PolarHBondContact O-N 3.32Å; V570-I573 VanDerWaalsContact O-N 3.15Å; I571-I573 VanDerWaalsContact C-N 3.29Å; I571-I573 PolarHBondContact O-N 3.49Å; I573-L575 VanDerWaalsContact C-N 3.26Å; I573-L575 PolarHBondContact O-N 3.03Å; I573-K576 WeakPolarHBondContact O-CB 3.43Å; I573-K576 PolarHBondContact O-N 3.4Å; I573-C577 PolarHBondContact O-N 3.45Å; I573-C577 PolarHBondContact O-SG 2.73Å; I573-C577 VanDerWaalsContact O-SG 3.39Å
574L95Very high91Very high1 Ų144.5 Ų44.51%0.00522%0.219CC..Hα-helixtrans-62-36.1178.7-65.1179.8000111.8L508 L553 V570 I571 K576 C577 F578 Y590 Y593L508-L574 HydrophobicContact CD1-CD2 4.31Å; L553-L574 HydrophobicContact CD1-CD1 3.99Å; V570-L574 HydrophobicContact CG1-CD1 3.98Å; V570-L574 HydrophobicContact CG1-CG 4.23Å; V570-L574 WeakPolarHBondContact O-CG 3.24Å; V570-L574 PolarHBondContact O-N 3.25Å; I571-L574 PolarHBondContact O-N 3.28Å; L574-K576 VanDerWaalsContact C-N 3.28Å; L574-K576 PolarHBondContact O-N 3.04Å; L574-C577 VanDerWaalsContact O-CB 3.28Å; L574-C577 WeakPolarHBondContact O-CB 3.2Å; L574-C577 PolarHBondContact O-N 2.93Å; L574-C577 VanDerWaalsContact O-N 3.09Å; L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 WeakPolarHBondContact O-CE2 3.27Å; L574-Y590 HydrophobicContact CB-CG 4.44Å; L574-Y590 HydrophobicContact CD1-CD1 4.33Å; L574-Y590 HydrophobicContact CD2-CD1 3.69Å; L574-Y590 HydrophobicContact CD2-CD2 4.48Å; L574-Y590 HydrophobicContact CD2-CE1 3.73Å; L574-Y590 HydrophobicContact CD2-CG 4.09Å; L574-Y590 HydrophobicContact CG-CD1 4.46Å; L574-Y593 HydrophobicContact CD1-CD1 3.37Å; L574-Y593 HydrophobicContact CD1-CE1 3.86Å; L574-Y593 HydrophobicContact CD1-CG 4.1Å
575L93Very high91.1Very high15 Ų1546.9 Ų46.98%0.07922%0.216CC..Hα-helixtrans-63.8-31174.6-72.8173.3000112.8I571 I573 F578 C606 A609 L610I571-L575 HydrophobicContact CG2-CD1 3.7Å; I571-L575 HydrophobicContact CG2-CG 4.13Å; I571-L575 WeakPolarHBondContact O-CB 3.47Å; I571-L575 WeakPolarHBondContact O-CG 3.5Å; I571-L575 PolarHBondContact O-N 3.08Å; I573-L575 VanDerWaalsContact C-N 3.26Å; I573-L575 PolarHBondContact O-N 3.03Å; L575-F578 HydrophobicContact CD2-CD2 4.43Å; L575-F578 HydrophobicContact CD2-CE2 4.1Å; L575-F578 WeakPolarHBondContact O-CD2 3.24Å; L575-C606 HydrophobicContact CD1-CB 4.15Å; L575-A609 HydrophobicContact CB-CB 4Å; L575-A609 HydrophobicContact CD1-CB 4.01Å; L575-A609 HydrophobicContact CD2-CB 4.24Å; L575-A609 HydrophobicContact CG-CB 4.32Å; L575-L610 HydrophobicContact CD2-CD2 3.8Å; L575-L610 HydrophobicContact CD2-CG 3.71Å
576K92Very high91.1Very high85 Ų8542.2 Ų42.237%0.3719%0.193SC..Hα-helixtrans-72-29.6171.7-68.5173.9-179.3-178.90112.5H509 E572 I573 L574 F578 E579H509-K576 HydrophobicContact CB-CB 4.4Å; E572-K576 WeakPolarHBondContact O-CG 3.32Å; E572-K576 PolarHBondContact O-N 3.37Å; I573-K576 WeakPolarHBondContact O-CB 3.43Å; I573-K576 PolarHBondContact O-N 3.4Å; L574-K576 VanDerWaalsContact C-N 3.28Å; L574-K576 PolarHBondContact O-N 3.04Å; K576-F578 PolarHBondContact O-N 2.75Å; K576-F578 VanDerWaalsContact O-N 3.13Å; K576-E579 PolarHBondContact O-N 3.2Å; K576-E579 VanDerWaalsContact O-N 3.09Å
577C91.6Very high91.1Very high0 Ų042.1 Ų42.10%019%0.193CC..Hα-helixtrans-60.6-24178.4-60.60000112.8I573 L574 E579 F580 E581 Y590I573-C577 PolarHBondContact O-N 3.45Å; I573-C577 PolarHBondContact O-SG 2.73Å; I573-C577 VanDerWaalsContact O-SG 3.39Å; L574-C577 VanDerWaalsContact O-CB 3.28Å; L574-C577 WeakPolarHBondContact O-CB 3.2Å; L574-C577 PolarHBondContact O-N 2.93Å; L574-C577 VanDerWaalsContact O-N 3.09Å; C577-E579 PolarHBondContact O-N 3.44Å; C577-E579 VanDerWaalsContact O-N 3.17Å; C577-F580 PolarHBondContact O-N 3.33Å; C577-E581 VanDerWaalsContact O-CB 3.32Å; C577-E581 WeakPolarHBondContact O-CB 2.79Å; C577-E581 PolarHBondContact O-N 3.23Å; C577-Y590 HydrophobicContact CB-CD2 4.08Å; C577-Y590 HydrophobicContact CB-CE2 3.8Å
578F89.4Confident91.2Very high1 Ų140.1 Ų40.10%0.00418%0.184CC..THydrogen-bonded Turntrans-63.1-18.1176.3-68-91000113.6L574 L575 K576 F580 L587 I591 L610 L614 R617L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 WeakPolarHBondContact O-CE2 3.27Å; L575-F578 HydrophobicContact CD2-CD2 4.43Å; L575-F578 HydrophobicContact CD2-CE2 4.1Å; L575-F578 WeakPolarHBondContact O-CD2 3.24Å; K576-F578 PolarHBondContact O-N 2.75Å; K576-F578 VanDerWaalsContact O-N 3.13Å; F578-F580 VanDerWaalsContact C-N 3.34Å; F578-L587 HydrophobicContact CD1-CD2 3.59Å; F578-L587 HydrophobicContact CE1-CB 4.38Å; F578-L587 HydrophobicContact CE1-CD2 3.78Å; F578-L587 HydrophobicContact CG-CD2 4.25Å; F578-I591 HydrophobicContact CE1-CD1 3.97Å; F578-I591 HydrophobicContact CE1-CG1 3.63Å; F578-I591 HydrophobicContact CZ-CD1 4.41Å; F578-I591 HydrophobicContact CZ-CG1 3.57Å; F578-L610 HydrophobicContact CD1-CD2 4.13Å; F578-L610 HydrophobicContact CD2-CD2 4.09Å; F578-L610 HydrophobicContact CE1-CD2 3.73Å; F578-L610 HydrophobicContact CE2-CD2 3.66Å; F578-L610 HydrophobicContact CG-CD2 4.31Å; F578-L610 HydrophobicContact CZ-CD2 3.47Å; F578-L610 VanDerWaalsContact CZ-CD2 3.47Å; F578-L614 HydrophobicContact CD1-CD1 4.15Å; F578-L614 HydrophobicContact CD1-CD2 3.88Å; F578-L614 HydrophobicContact CD1-CG 3.98Å; F578-L614 HydrophobicContact CE1-CD1 4.41Å; F578-R617 VanDerWaalsContact O-CD 3.3Å; F578-R617 WeakPolarHBondContact O-CD 3.47Å; F578-R617 PolarHBondContact O-NH1 3.49Å
579E86.5Confident91.4Very high93 Ų9335.8 Ų35.844%0.43516%0.164SC..THydrogen-bonded Turntrans-72.5-28.2174.1-64.1-173.3166.400112.1K576 C577K576-E579 PolarHBondContact O-N 3.2Å; K576-E579 VanDerWaalsContact O-N 3.09Å; C577-E579 PolarHBondContact O-N 3.44Å; C577-E579 VanDerWaalsContact O-N 3.17Å
580F85.6Confident91.5Very high63 Ų6331 Ų3128%0.27615%0.146SC..THydrogen-bonded Turntrans-122.5-31.8-169.8-55.6-77.1000115.2H509 E511 R516 C577 F578 T582H509-F580 HydrophobicContact CB-CD2 4.22Å; H509-F580 WeakPolarHBondContact O-CD2 3.25Å; E511-F580 HydrophobicContact CG-CD1 4.23Å; E511-F580 HydrophobicContact CG-CE1 3.82Å; E511-F580 HydrophobicContact CG-CZ 4.43Å; R516-F580 PolarHBondContact NH2-O 3Å; C577-F580 PolarHBondContact O-N 3.33Å; F578-F580 VanDerWaalsContact C-N 3.34Å; F580-T582 PolarHBondContact O-N 3.27Å
581E88.9Confident91.5Very high0 Ų031 Ų310%015%0.146CC..  trans-68.4130.3-170-178.153-96.300112R516 C577 D583 R586 L587 Y590 R617R516-E581 IonicContact NE-OE2 3.17Å; C577-E581 VanDerWaalsContact O-CB 3.32Å; C577-E581 WeakPolarHBondContact O-CB 2.79Å; C577-E581 PolarHBondContact O-N 3.23Å; E581-D583 PolarHBondContact OE1-N 2.95Å; E581-R586 VanDerWaalsContact CD-CD 3.48Å; E581-R586 HydrophobicContact CG-CB 3.91Å; E581-R586 IonicContact OE1-NH1 2.65Å; E581-R586 WeakPolarHBondContact OE2-CD 3.4Å; E581-R586 IonicContact OE2-CZ 2.82Å; E581-R586 IonicContact OE2-NH1 2.86Å; E581-R586 PolarHBondContact OE2-NH1 3.41Å; E581-R586 VanDerWaalsContact OE2-NH1 3.07Å; E581-L587 HydrophobicContact CB-CD2 3.87Å; E581-L587 HydrophobicContact CB-CG 4.48Å; E581-L587 HydrophobicContact CG-CD2 4.01Å; E581-L587 HydrophobicContact CG-CG 4.19Å; E581-Y590 HydrophobicContact CG-CE2 4.34Å; E581-R617 PolarHBondContact O-NH1 3.3Å; E581-R617 PolarHBondContact O-NH2 3.13Å
582T84.1Confident91.5Very high69 Ų6930.6 Ų30.642%0.42314%0.144SC..  trans-107-17.3-173.247.80000113.3F580 P584F580-T582 PolarHBondContact O-N 3.27Å; T582-P584 WeakPolarHBondContact O-CD 3.25Å
583D86.7Confident91.5Very high39 Ų3926.7 Ų26.721%0.20913%0.125CC..  trans-80.4114.5176.7-177.9-5.1000111E581 R585 R586 L587E581-D583 PolarHBondContact OE1-N 2.95Å; D583-R585 VanDerWaalsContact C-N 3.26Å; D583-R585 PolarHBondContact O-N 3.02Å; D583-R585 PolarHBondContact OD1-N 2.92Å; D583-R586 HydrophobicContact CB-CB 4.17Å; D583-R586 HydrophobicContact CB-CG 3.99Å; D583-R586 PolarHBondContact O-N 3.13Å; D583-R586 IonicContact OD2-NE 3.26Å; D583-L587 PolarHBondContact O-N 2.84Å
584P87.9Confident91.5Very high35 Ų3526.7 Ų26.723%0.22713%0.126CC..Hα-helixtrans-57.8-36.3178.1-22.934.3000113.1T582 R586 L587 H588 R623T582-P584 WeakPolarHBondContact O-CD 3.25Å; P584-R586 PolarHBondContact O-N 3.47Å; P584-L587 WeakPolarHBondContact O-CB 3.24Å; P584-L587 PolarHBondContact O-N 3.46Å; P584-H588 PolarHBondContact O-CD2 3.4Å; P584-H588 PolarHBondContact O-N 3.41Å; P584-R623 HydrophobicContact CG-CB 3.94Å
585R91.3Very high91.4Very high130 Ų13028.9 Ų28.949%0.49113%0.134SC..Hα-helixtrans-66.4-38.9-178.4-71.4-166.9172.7-150.1-0.7112.2Q549 F550 D583 L587 H588 A589Q549-R585 VanDerWaalsContact OE1-CD 3.3Å; F550-R585 HydrophobicContact CE2-CB 4.18Å; F550-R585 HydrophobicContact CZ-CB 4.28Å; D583-R585 VanDerWaalsContact C-N 3.26Å; D583-R585 PolarHBondContact O-N 3.02Å; D583-R585 PolarHBondContact OD1-N 2.92Å; R585-L587 VanDerWaalsContact C-N 3.35Å; R585-H588 WeakPolarHBondContact O-CB 3.37Å; R585-H588 PolarHBondContact O-N 2.86Å; R585-A589 PolarHBondContact O-N 3.47Å
586R92.4Very high91.3Very high21 Ų2129.7 Ų29.78%0.07914%0.138CC..Hα-helixtrans-62.6-43.4172.7-70.1177.5-167170.5-2.1111.3T517 L520 F550 E581 D583 P584 H588 A589 Y590T517-R586 PolarHBondContact OG1-NH1 3.14Å; T517-R586 PolarHBondContact OG1-NH2 3.18Å; T517-R586 VanDerWaalsContact OG1-NH2 3.09Å; L520-R586 VanDerWaalsContact CD1-CZ 3.48Å; F550-R586 HydrophobicContact CE1-CB 4.43Å; F550-R586 HydrophobicContact CE1-CG 3.67Å; F550-R586 HydrophobicContact CZ-CB 4.34Å; F550-R586 HydrophobicContact CZ-CG 3.72Å; E581-R586 VanDerWaalsContact CD-CD 3.48Å; E581-R586 HydrophobicContact CG-CB 3.91Å; E581-R586 IonicContact OE1-NH1 2.65Å; E581-R586 WeakPolarHBondContact OE2-CD 3.4Å; E581-R586 IonicContact OE2-CZ 2.82Å; E581-R586 IonicContact OE2-NH1 2.86Å; E581-R586 PolarHBondContact OE2-NH1 3.41Å; E581-R586 VanDerWaalsContact OE2-NH1 3.07Å; D583-R586 HydrophobicContact CB-CB 4.17Å; D583-R586 HydrophobicContact CB-CG 3.99Å; D583-R586 PolarHBondContact O-N 3.13Å; D583-R586 IonicContact OD2-NE 3.26Å; P584-R586 PolarHBondContact O-N 3.47Å; R586-H588 PolarHBondContact O-N 3.48Å; R586-A589 WeakPolarHBondContact O-CB 3.45Å; R586-A589 PolarHBondContact O-N 2.97Å; R586-A589 VanDerWaalsContact O-N 3.13Å; R586-Y590 HydrophobicContact CB-CE2 4.27Å; R586-Y590 WeakPolarHBondContact O-CD1 3.28Å; R586-Y590 PolarHBondContact O-N 3.42Å
587L93Very high91.3Very high0 Ų026.4 Ų26.40%013%0.125CC..Hα-helixtrans-62.2-42176.5-65.1176.9000112F578 E581 D583 P584 R585 A589 Y590 I591 T620 L624F578-L587 HydrophobicContact CD1-CD2 3.59Å; F578-L587 HydrophobicContact CE1-CB 4.38Å; F578-L587 HydrophobicContact CE1-CD2 3.78Å; F578-L587 HydrophobicContact CG-CD2 4.25Å; E581-L587 HydrophobicContact CB-CD2 3.87Å; E581-L587 HydrophobicContact CB-CG 4.48Å; E581-L587 HydrophobicContact CG-CD2 4.01Å; E581-L587 HydrophobicContact CG-CG 4.19Å; D583-L587 PolarHBondContact O-N 2.84Å; P584-L587 WeakPolarHBondContact O-CB 3.24Å; P584-L587 PolarHBondContact O-N 3.46Å; R585-L587 VanDerWaalsContact C-N 3.35Å; L587-A589 VanDerWaalsContact C-N 3.34Å; L587-A589 PolarHBondContact O-N 3.43Å; L587-Y590 PolarHBondContact O-N 3.13Å; L587-I591 VanDerWaalsContact O-CG1 3.24Å; L587-I591 WeakPolarHBondContact O-CG1 3.17Å; L587-I591 PolarHBondContact O-N 3.43Å; L587-T620 HydrophobicContact CD1-CG2 3.24Å; L587-L624 HydrophobicContact CB-CD1 3.82Å
588H95Very high91.2Very high6 Ų627.4 Ų27.43%0.02813%0.13CC..Hα-helixtrans-55.5-50.5170.7-70.1-69.2000110.5L546 P584 R585 R586 Y590 I591 H592 L624 L635 T639L546-H588 HydrophobicContact CD1-CB 4.24Å; L546-H588 HydrophobicContact CD2-CB 4.29Å; P584-H588 PolarHBondContact O-CD2 3.4Å; P584-H588 PolarHBondContact O-N 3.41Å; R585-H588 WeakPolarHBondContact O-CB 3.37Å; R585-H588 PolarHBondContact O-N 2.86Å; R586-H588 PolarHBondContact O-N 3.48Å; H588-Y590 PolarHBondContact O-N 3.44Å; H588-I591 PolarHBondContact O-N 3.03Å; H588-H592 PolarHBondContact O-CD2 3.1Å; H588-H592 PolarHBondContact O-N 2.94Å; H588-L624 PolarHBondContact CE1-O 3.44Å; H588-L624 VanDerWaalsContact CE1-O 3.25Å; H588-L635 HydrophobicContact CB-CD1 4.03Å; H588-L635 HydrophobicContact CB-CD2 4.34Å; H588-L635 HydrophobicContact CB-CG 4.34Å; H588-T639 WeakPolarHBondContact ND1-CB 3.37Å; H588-T639 WeakPolarHBondContact ND1-CG2 3.5Å; H588-T639 PolarHBondContact ND1-OG1 3.04Å
589A95.2Very high91.1Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-58.7-45.1179.900000112.6L546 F550 L553 F554 R585 R586 L587 I591 H592 Y593L546-A589 HydrophobicContact CD1-CB 4.2Å; L546-A589 HydrophobicContact CD2-CB 4.39Å; L546-A589 HydrophobicContact CG-CB 4.3Å; F550-A589 HydrophobicContact CB-CB 4.14Å; F550-A589 HydrophobicContact CD1-CB 4.08Å; F550-A589 HydrophobicContact CD2-CB 3.55Å; F550-A589 HydrophobicContact CE1-CB 4.43Å; F550-A589 HydrophobicContact CE2-CB 3.92Å; F550-A589 HydrophobicContact CG-CB 3.64Å; F550-A589 HydrophobicContact CZ-CB 4.34Å; L553-A589 HydrophobicContact CD2-CB 4.18Å; F554-A589 HydrophobicContact CE2-CB 4.1Å; F554-A589 HydrophobicContact CZ-CB 4.17Å; F554-A589 WeakPolarHBondContact CZ-O 3.17Å; R585-A589 PolarHBondContact O-N 3.47Å; R586-A589 WeakPolarHBondContact O-CB 3.45Å; R586-A589 PolarHBondContact O-N 2.97Å; R586-A589 VanDerWaalsContact O-N 3.13Å; L587-A589 VanDerWaalsContact C-N 3.34Å; L587-A589 PolarHBondContact O-N 3.43Å; A589-I591 PolarHBondContact O-N 3.07Å; A589-H592 PolarHBondContact O-N 3.03Å; A589-Y593 VanDerWaalsContact O-CB 3.28Å; A589-Y593 WeakPolarHBondContact O-CB 3.32Å; A589-Y593 PolarHBondContact O-N 3.38Å
590Y95.1Very high91Very high1 Ų132.5 Ų32.50%0.00416%0.157CC..Hα-helixtrans-65-38.9179.2-60.8-16.6000112.8W552 L553 L574 C577 E581 R586 L587 H588 A594W552-Y590 HydrophobicContact CZ2-CE1 4.49Å; L553-Y590 HydrophobicContact CD2-CD1 3.88Å; L553-Y590 HydrophobicContact CD2-CE1 4.26Å; L574-Y590 HydrophobicContact CB-CG 4.44Å; L574-Y590 HydrophobicContact CD1-CD1 4.33Å; L574-Y590 HydrophobicContact CD2-CD1 3.69Å; L574-Y590 HydrophobicContact CD2-CD2 4.48Å; L574-Y590 HydrophobicContact CD2-CE1 3.73Å; L574-Y590 HydrophobicContact CD2-CG 4.09Å; L574-Y590 HydrophobicContact CG-CD1 4.46Å; C577-Y590 HydrophobicContact CB-CD2 4.08Å; C577-Y590 HydrophobicContact CB-CE2 3.8Å; E581-Y590 HydrophobicContact CG-CE2 4.34Å; R586-Y590 HydrophobicContact CB-CE2 4.27Å; R586-Y590 WeakPolarHBondContact O-CD1 3.28Å; R586-Y590 PolarHBondContact O-N 3.42Å; L587-Y590 PolarHBondContact O-N 3.13Å; H588-Y590 PolarHBondContact O-N 3.44Å; Y590-A594 WeakPolarHBondContact O-CB 3.45Å; Y590-A594 PolarHBondContact O-N 3.07Å
591I95Very high91Very high1 Ų134.7 Ų34.71%0.00518%0.176CC..Hα-helixtrans-63.8-49.3175.6-69166.8000110.5F578 L587 H588 A589 Y593 A594 Y595 L610 L624 T639 V642 L643F578-I591 HydrophobicContact CE1-CD1 3.97Å; F578-I591 HydrophobicContact CE1-CG1 3.63Å; F578-I591 HydrophobicContact CZ-CD1 4.41Å; F578-I591 HydrophobicContact CZ-CG1 3.57Å; L587-I591 VanDerWaalsContact O-CG1 3.24Å; L587-I591 WeakPolarHBondContact O-CG1 3.17Å; L587-I591 PolarHBondContact O-N 3.43Å; H588-I591 PolarHBondContact O-N 3.03Å; A589-I591 PolarHBondContact O-N 3.07Å; I591-Y593 VanDerWaalsContact C-N 3.34Å; I591-Y593 PolarHBondContact O-N 3.13Å; I591-A594 PolarHBondContact O-N 2.99Å; I591-Y595 WeakPolarHBondContact O-CB 3.21Å; I591-Y595 PolarHBondContact O-N 3.12Å; I591-L610 HydrophobicContact CG1-CD2 4.27Å; I591-L624 HydrophobicContact CD1-CD1 4.14Å; I591-L624 HydrophobicContact CD1-CD2 3.69Å; I591-L624 HydrophobicContact CD1-CG 4.4Å; I591-T639 HydrophobicContact CB-CG2 4.47Å; I591-T639 HydrophobicContact CD1-CG2 3.94Å; I591-T639 HydrophobicContact CG2-CG2 4.15Å; I591-V642 HydrophobicContact CG2-CG1 3.73Å; I591-L643 HydrophobicContact CD1-CD1 4.26Å; I591-L643 HydrophobicContact CD1-CD2 4.35Å; I591-L643 HydrophobicContact CG2-CD2 3.94Å; I591-L643 HydrophobicContact CG2-CG 4.15Å
592H95.3Very high91Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-63.3-41.7179.7-82.3-74.8000111.5N541 V542 F554 H588 A589 Y595 L596 T639N541-H592 PolarHBondContact O-CE1 2.93Å; N541-H592 PolarHBondContact O-ND1 3.04Å; V542-H592 HydrophobicContact CG2-CB 4.21Å; F554-H592 HydrophobicContact CE1-CB 4.21Å; F554-H592 HydrophobicContact CZ-CB 4.08Å; H588-H592 PolarHBondContact O-CD2 3.1Å; H588-H592 PolarHBondContact O-N 2.94Å; A589-H592 PolarHBondContact O-N 3.03Å; H592-Y595 PolarHBondContact O-N 2.95Å; H592-L596 VanDerWaalsContact O-CG 3.26Å; H592-L596 WeakPolarHBondContact O-CG 3.4Å; H592-L596 PolarHBondContact O-N 3.31Å; H592-T639 PolarHBondContact NE2-OG1 2.58Å
593Y94.2Very high91.3Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-62.6-47.9176.2-177.2-90.4000112.1L553 F554 L557 V558 F563 V570 L574 A589 I591 Y595 L596 H597L553-Y593 HydrophobicContact CD1-CD1 4.08Å; L553-Y593 HydrophobicContact CD1-CD2 3.55Å; L553-Y593 HydrophobicContact CD1-CE1 4.23Å; L553-Y593 HydrophobicContact CD1-CE2 3.72Å; L553-Y593 HydrophobicContact CD1-CG 3.71Å; L553-Y593 HydrophobicContact CD2-CD2 4.21Å; L553-Y593 HydrophobicContact CD2-CG 4.08Å; L553-Y593 HydrophobicContact CG-CD2 3.5Å; L553-Y593 HydrophobicContact CG-CE2 4.05Å; L553-Y593 HydrophobicContact CG-CG 3.82Å; L553-Y593 WeakPolarHBondContact O-CE2 3.41Å; F554-Y593 HydrophobicContact CD1-CD2 4.14Å; F554-Y593 HydrophobicContact CE1-CD2 4.33Å; L557-Y593 HydrophobicContact CD2-CE2 4.48Å; V558-Y593 HydrophobicContact CG2-CE2 4.11Å; F563-Y593 WeakPolarHBondContact CE2-OH 3.15Å; F563-Y593 WeakPolarHBondContact CZ-OH 3.27Å; V570-Y593 HydrophobicContact CB-CE1 4.38Å; V570-Y593 HydrophobicContact CG1-CE1 3.57Å; L574-Y593 HydrophobicContact CD1-CD1 3.37Å; L574-Y593 HydrophobicContact CD1-CE1 3.86Å; L574-Y593 HydrophobicContact CD1-CG 4.1Å; A589-Y593 VanDerWaalsContact O-CB 3.28Å; A589-Y593 WeakPolarHBondContact O-CB 3.32Å; A589-Y593 PolarHBondContact O-N 3.38Å; I591-Y593 VanDerWaalsContact C-N 3.34Å; I591-Y593 PolarHBondContact O-N 3.13Å; Y593-Y595 VanDerWaalsContact C-N 3.31Å; Y593-Y595 PolarHBondContact O-N 3.45Å; Y593-L596 PolarHBondContact O-N 2.87Å; Y593-H597 AromaticContact CD2-CD2 3.74Å; Y593-H597 AromaticContact CD2-NE2 3.99Å; Y593-H597 AromaticContact CE1-CD2 3.9Å; Y593-H597 AromaticContact CE2-CD2 3.42Å; Y593-H597 VanDerWaalsContact CE2-CD2 3.42Å; Y593-H597 WeakPolarHBondContact CE2-CD2 3.25Å; Y593-H597 AromaticContact CE2-NE2 3.54Å; Y593-H597 AromaticContact CZ-CD2 3.53Å; Y593-H597 PolarHBondContact O-CD2 3.03Å; Y593-H597 PolarHBondContact O-N 3.33Å
594A93.6Very high91.5Very high1 Ų135.9 Ų35.91%0.00818%0.179CC..Hα-helixtrans-56.9-48.8175.600000110.2I571 Y590 I591 L596 H597 L598I571-A594 HydrophobicContact CG2-CB 4.28Å; Y590-A594 WeakPolarHBondContact O-CB 3.45Å; Y590-A594 PolarHBondContact O-N 3.07Å; I591-A594 PolarHBondContact O-N 2.99Å; A594-L596 VanDerWaalsContact C-N 3.31Å; A594-L596 PolarHBondContact O-N 3.25Å; A594-H597 PolarHBondContact O-N 3.25Å; A594-L598 WeakPolarHBondContact O-CB 3.33Å; A594-L598 PolarHBondContact O-N 2.93Å
595Y93.6Very high91.6Very high47 Ų4738.5 Ų38.518%0.18419%0.194CC..Hα-helixtrans-56.4-39.6178.9179-102000114.2I591 H592 Y593 V642 D645 L646I591-Y595 WeakPolarHBondContact O-CB 3.21Å; I591-Y595 PolarHBondContact O-N 3.12Å; H592-Y595 PolarHBondContact O-N 2.95Å; Y593-Y595 VanDerWaalsContact C-N 3.31Å; Y593-Y595 PolarHBondContact O-N 3.45Å; Y595-V642 HydrophobicContact CD1-CG1 4.22Å; Y595-V642 HydrophobicContact CD1-CG2 3.9Å; Y595-V642 HydrophobicContact CD2-CB 4.39Å; Y595-V642 HydrophobicContact CD2-CG1 3.58Å; Y595-V642 HydrophobicContact CD2-CG2 4.39Å; Y595-V642 HydrophobicContact CE1-CG2 4.06Å; Y595-V642 HydrophobicContact CE2-CG1 4.24Å; Y595-V642 HydrophobicContact CE2-CG2 4.48Å; Y595-V642 HydrophobicContact CG-CB 4.38Å; Y595-V642 HydrophobicContact CG-CG1 3.54Å; Y595-V642 HydrophobicContact CG-CG2 4.08Å; Y595-D645 HydrophobicContact CE2-CB 4.31Å; Y595-D645 WeakPolarHBondContact CE2-OD2 3.33Å; Y595-D645 PolarHBondContact OH-OD2 3.42Å; Y595-L646 HydrophobicContact CD2-CD1 4.19Å; Y595-L646 HydrophobicContact CD2-CD2 3.81Å; Y595-L646 HydrophobicContact CD2-CG 3.78Å; Y595-L646 HydrophobicContact CE2-CD2 4.43Å; Y595-L646 HydrophobicContact CE2-CG 4.34Å
596L91.7Very high91.6Very high31 Ų3132.4 Ų32.416%0.16217%0.171CC..Hα-helixtrans-70.1-30.3-179.1-72.4166.8000113.7L539 V542 F554 H592 Y593 A594L539-L596 HydrophobicContact CD2-CD1 3.63Å; V542-L596 HydrophobicContact CG2-CD1 3.81Å; F554-L596 HydrophobicContact CD1-CD1 4.08Å; F554-L596 HydrophobicContact CE1-CD1 4.06Å; H592-L596 VanDerWaalsContact O-CG 3.26Å; H592-L596 WeakPolarHBondContact O-CG 3.4Å; H592-L596 PolarHBondContact O-N 3.31Å; Y593-L596 PolarHBondContact O-N 2.87Å; A594-L596 VanDerWaalsContact C-N 3.31Å; A594-L596 PolarHBondContact O-N 3.25Å
597H91.1Very high91.7Very high17 Ų1731.4 Ų31.48%0.07917%0.167CC..Hα-helixtrans-113.8-1.9-172-63.4-62.1000114F536 F563 I571 Y593 A594F536-H597 AromaticContact CE1-CE1 3.9Å; F536-H597 AromaticContact CE2-CE1 3.92Å; F536-H597 AromaticContact CZ-CE1 3.8Å; F563-H597 AromaticContact CE1-CE1 3.79Å; F563-H597 AromaticContact CE1-ND1 3.86Å; F563-H597 AromaticContact CZ-CE1 3.75Å; F563-H597 AromaticContact CZ-ND1 3.78Å; F563-H597 AromaticContact CZ-NE2 3.98Å; I571-H597 HydrophobicContact CD1-CB 3.98Å; Y593-H597 AromaticContact CD2-CD2 3.74Å; Y593-H597 AromaticContact CD2-NE2 3.99Å; Y593-H597 AromaticContact CE1-CD2 3.9Å; Y593-H597 AromaticContact CE2-CD2 3.42Å; Y593-H597 VanDerWaalsContact CE2-CD2 3.42Å; Y593-H597 WeakPolarHBondContact CE2-CD2 3.25Å; Y593-H597 AromaticContact CE2-NE2 3.54Å; Y593-H597 AromaticContact CZ-CD2 3.53Å; Y593-H597 PolarHBondContact O-CD2 3.03Å; Y593-H597 PolarHBondContact O-N 3.33Å; A594-H597 PolarHBondContact O-N 3.25Å
598L90.2Very high91.6Very high21 Ų2134.6 Ų34.611%0.1118%0.181CC..  trans-66.3134.3177.4-170.471.1000111.1A594 T602 L603 C606 L646A594-L598 WeakPolarHBondContact O-CB 3.33Å; A594-L598 PolarHBondContact O-N 2.93Å; L598-T602 WeakPolarHBondContact CD1-OG1 3.22Å; L598-L603 HydrophobicContact CD2-CB 4.35Å; L598-L603 HydrophobicContact CD2-CD1 3.64Å; L598-C606 HydrophobicContact CD1-CB 3.48Å; L598-C606 VanDerWaalsContact CD1-CB 3.48Å; L598-C606 HydrophobicContact CD2-CB 4.24Å; L598-L646 HydrophobicContact CD2-CD2 3.38Å
599E87.2Confident91.4Very high71 Ų7135.7 Ų35.733%0.33219%0.191SC..  trans-97.9155.7170.4-61.1-169.5174.100110.5K567 T601 T602 L603K567-E599 WeakPolarHBondContact CE-OE1 3.46Å; K567-E599 IonicContact NZ-OE1 2.65Å; K567-E599 PolarHBondContact NZ-OE1 3.09Å; E599-T601 PolarHBondContact O-N 3.37Å; E599-T601 VanDerWaalsContact O-N 3.13Å; E599-T602 PolarHBondContact N-OG1 2.88Å; E599-T602 PolarHBondContact O-N 3.11Å; E599-T602 PolarHBondContact O-OG1 3.48Å; E599-L603 PolarHBondContact O-N 3.22Å
600D84.7Confident91.2Very high129 Ų12935.7 Ų35.769%0.6919%0.191SC*.THydrogen-bonded Turntrans-58.9-29.5179.7-70.5-31.8000112.6T602 L603D600-T602 VanDerWaalsContact C-N 3.3Å; D600-T602 PolarHBondContact O-N 3.33Å; D600-L603 WeakPolarHBondContact O-CB 3.38Å
601T85.1Confident91.1Very high110 Ų11035.7 Ų35.768%0.67519%0.191SC*.THydrogen-bonded Turntrans-67-26.1175.451.90000113.6E599E599-T601 PolarHBondContact O-N 3.37Å; E599-T601 VanDerWaalsContact O-N 3.13Å
602T88.1Confident90.7Very high34 Ų3439.9 Ų39.921%0.20921%0.209CC..THydrogen-bonded Turntrans-105.7-3.5-176.351.30000112.9L598 E599 D600 E604 T605 C606L598-T602 WeakPolarHBondContact CD1-OG1 3.22Å; E599-T602 PolarHBondContact N-OG1 2.88Å; E599-T602 PolarHBondContact O-N 3.11Å; E599-T602 PolarHBondContact O-OG1 3.48Å; D600-T602 VanDerWaalsContact C-N 3.3Å; D600-T602 PolarHBondContact O-N 3.33Å; T602-E604 PolarHBondContact O-N 2.87Å; T602-T605 PolarHBondContact O-N 2.91Å; T602-C606 PolarHBondContact O-N 3.41Å
603L91.2Very high90.2Very high9 Ų940 Ų405%0.04721%0.211CC..Hα-helixtrans-54.3-47.1-178.717665.2000113.4L598 E599 D600 C606 C607 L646 R649L598-L603 HydrophobicContact CD2-CB 4.35Å; L598-L603 HydrophobicContact CD2-CD1 3.64Å; E599-L603 PolarHBondContact O-N 3.22Å; D600-L603 WeakPolarHBondContact O-CB 3.38Å; L603-C606 PolarHBondContact O-N 3.5Å; L603-C607 PolarHBondContact O-N 2.89Å; L603-C607 PolarHBondContact O-SG 3.29Å; L603-L646 HydrophobicContact CD1-CD2 3.82Å; L603-R649 HydrophobicContact CD2-CB 3.69Å
604E90Very high89.8Confident90 Ų9040 Ų4042%0.42121%0.211SC..Hα-helixtrans-61.7-47.8180167.5167.7-169.500111.9T602 C606 C607 K608 Y650T602-E604 PolarHBondContact O-N 2.87Å; E604-C606 VanDerWaalsContact C-N 3.3Å; E604-C606 PolarHBondContact O-N 3.38Å; E604-C607 PolarHBondContact O-N 3.42Å; E604-K608 HydrophobicContact CG-CD 3.93Å; E604-K608 WeakPolarHBondContact O-CB 2.98Å; E604-K608 WeakPolarHBondContact O-CG 3.3Å; E604-K608 PolarHBondContact O-N 2.78Å; E604-K608 VanDerWaalsContact OE1-CE 3.26Å; E604-K608 WeakPolarHBondContact OE1-CE 3.23Å; E604-K608 IonicContact OE1-NZ 3.76Å; E604-K608 PolarHBondContact OE1-NZ 3.05Å; E604-Y650 HydrophobicContact CB-CD2 4.19Å; E604-Y650 HydrophobicContact CB-CE2 4.04Å; E604-Y650 HydrophobicContact CG-CD2 4.48Å; E604-Y650 HydrophobicContact CG-CE2 3.85Å
605T90Very high89.2Confident89 Ų8941 Ų4155%0.54622%0.218SC..Hα-helixtrans-60.2-42.7178.6-52.80000111T602 A609T602-T605 PolarHBondContact O-N 2.91Å; T605-A609 WeakPolarHBondContact O-CB 3.38Å; T605-A609 PolarHBondContact O-N 3.13Å
606C92.3Very high88.5Confident2 Ų246.7 Ų46.71%0.01424%0.239CC..Hα-helixtrans-62.9-50.6177.5-178.40000112.3L575 L598 T602 L603 E604 K608 A609 L610L575-C606 HydrophobicContact CD1-CB 4.15Å; L598-C606 HydrophobicContact CD1-CB 3.48Å; L598-C606 VanDerWaalsContact CD1-CB 3.48Å; L598-C606 HydrophobicContact CD2-CB 4.24Å; T602-C606 PolarHBondContact O-N 3.41Å; L603-C606 PolarHBondContact O-N 3.5Å; E604-C606 VanDerWaalsContact C-N 3.3Å; E604-C606 PolarHBondContact O-N 3.38Å; C606-K608 VanDerWaalsContact C-N 3.33Å; C606-K608 PolarHBondContact O-N 3.37Å; C606-A609 PolarHBondContact O-N 3.35Å; C606-L610 WeakPolarHBondContact O-CG 3.49Å; C606-L610 PolarHBondContact O-N 3.41Å
607C93.6Very high88.1Confident0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-62.4-41.2-179.7-65.80000111.8L603 E604 A611 F647 Y650L603-C607 PolarHBondContact O-N 2.89Å; L603-C607 PolarHBondContact O-SG 3.29Å; E604-C607 PolarHBondContact O-N 3.42Å; C607-A611 WeakPolarHBondContact O-CB 3.42Å; C607-A611 PolarHBondContact O-N 2.87Å; C607-F647 HydrophobicContact CB-CD1 4.46Å; C607-F647 HydrophobicContact CB-CE1 4.05Å; C607-F647 HydrophobicContact CB-CZ 4.11Å; C607-F647 WeakPolarHBondContact O-CZ 3.49Å; C607-Y650 HydrophobicContact CB-CD1 4.5Å; C607-Y650 HydrophobicContact CB-CD2 4.21Å; C607-Y650 HydrophobicContact CB-CG 4.01Å
608K91.2Very high87.4Confident67 Ų6749.4 Ų49.429%0.29126%0.256SS..Hα-helixtrans-62-43.1175-76176.6169.9178.90112.1E604 C606 K612 V686E604-K608 HydrophobicContact CG-CD 3.93Å; E604-K608 WeakPolarHBondContact O-CB 2.98Å; E604-K608 WeakPolarHBondContact O-CG 3.3Å; E604-K608 PolarHBondContact O-N 2.78Å; E604-K608 VanDerWaalsContact OE1-CE 3.26Å; E604-K608 WeakPolarHBondContact OE1-CE 3.23Å; E604-K608 IonicContact OE1-NZ 3.76Å; E604-K608 PolarHBondContact OE1-NZ 3.05Å; C606-K608 VanDerWaalsContact C-N 3.33Å; C606-K608 PolarHBondContact O-N 3.37Å; K608-K612 VanDerWaalsContact O-CB 3.32Å; K608-K612 WeakPolarHBondContact O-CB 3.05Å; K608-K612 PolarHBondContact O-N 2.73Å; K608-V686 HydrophobicContact CB-CG2 4.46Å; K608-V686 HydrophobicContact CG-CG2 3.97Å
609A90.8Very high86.8Confident29 Ų2955.6 Ų55.624%0.2428%0.284CS..Hα-helixtrans-67.9-46.2179.100000112.4L575 T605 C606 A611 K612 G613L575-A609 HydrophobicContact CB-CB 4Å; L575-A609 HydrophobicContact CD1-CB 4.01Å; L575-A609 HydrophobicContact CD2-CB 4.24Å; L575-A609 HydrophobicContact CG-CB 4.32Å; T605-A609 WeakPolarHBondContact O-CB 3.38Å; T605-A609 PolarHBondContact O-N 3.13Å; C606-A609 PolarHBondContact O-N 3.35Å; A609-A611 PolarHBondContact O-N 2.86Å; A609-K612 PolarHBondContact O-N 3.32Å; A609-G613 PolarHBondContact O-N 2.67Å
610L92.1Very high86.5Confident1 Ų153 Ų531%0.00527%0.273CS..Hα-helixtrans-58.1-48.4175.5-76.9173.9000111.3L575 F578 I591 C606 G613 L614 L643 L646 F647L575-L610 HydrophobicContact CD2-CD2 3.8Å; L575-L610 HydrophobicContact CD2-CG 3.71Å; F578-L610 HydrophobicContact CD1-CD2 4.13Å; F578-L610 HydrophobicContact CD2-CD2 4.09Å; F578-L610 HydrophobicContact CE1-CD2 3.73Å; F578-L610 HydrophobicContact CE2-CD2 3.66Å; F578-L610 HydrophobicContact CG-CD2 4.31Å; F578-L610 HydrophobicContact CZ-CD2 3.47Å; F578-L610 VanDerWaalsContact CZ-CD2 3.47Å; I591-L610 HydrophobicContact CG1-CD2 4.27Å; C606-L610 WeakPolarHBondContact O-CG 3.49Å; C606-L610 PolarHBondContact O-N 3.41Å; L610-G613 PolarHBondContact O-N 2.72Å; L610-L614 HydrophobicContact CD2-CD1 4.48Å; L610-L614 VanDerWaalsContact O-CB 3.31Å; L610-L614 WeakPolarHBondContact O-CB 3.23Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.1Å; L610-L643 HydrophobicContact CD1-CD2 4.14Å; L610-L646 HydrophobicContact CD1-CD1 4.19Å; L610-F647 HydrophobicContact CB-CZ 4.34Å; L610-F647 HydrophobicContact CD1-CE2 4.48Å
611A91.1Very high86.4Confident0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-59.1-51179.100000111.6C607 A609 G613 L614 S615 F647 D685 V686 F689C607-A611 WeakPolarHBondContact O-CB 3.42Å; C607-A611 PolarHBondContact O-N 2.87Å; A609-A611 PolarHBondContact O-N 2.86Å; A611-G613 PolarHBondContact O-N 3.06Å; A611-L614 PolarHBondContact O-N 3.49Å; A611-S615 WeakPolarHBondContact O-CB 3.13Å; A611-S615 PolarHBondContact O-N 2.93Å; A611-S615 PolarHBondContact O-OG 3.12Å; A611-F647 HydrophobicContact CB-CE1 4.24Å; A611-F647 HydrophobicContact CB-CZ 4.23Å; A611-D685 HydrophobicContact CB-CB 4.4Å; A611-V686 HydrophobicContact CB-CB 4.18Å; A611-V686 HydrophobicContact CB-CG2 3.66Å; A611-F689 HydrophobicContact CB-CB 3.9Å; A611-F689 HydrophobicContact CB-CG 4.34Å
612K88.2Confident86.2Confident89 Ų8944.5 Ų44.539%0.38722%0.223SC..Hα-helixtrans-61.3-42.5179.4-176.4-173.2174.1-161.20112.6K608 A609 R616K608-K612 VanDerWaalsContact O-CB 3.32Å; K608-K612 WeakPolarHBondContact O-CB 3.05Å; K608-K612 PolarHBondContact O-N 2.73Å; A609-K612 PolarHBondContact O-N 3.32Å; K612-R616 WeakPolarHBondContact O-CD 3.49Å; K612-R616 WeakPolarHBondContact O-CG 3.16Å
613G84.6Confident85.9Confident4 Ų450 Ų504%0.04124%0.239CC..Hα-helixtrans-70-38.9-178.400000113A609 L610 A611 R617A609-G613 PolarHBondContact O-N 2.67Å; L610-G613 PolarHBondContact O-N 2.72Å; A611-G613 PolarHBondContact O-N 3.06Å; G613-R617 WeakPolarHBondContact O-CD 2.93Å; G613-R617 WeakPolarHBondContact O-CG 2.96Å
614L84.7Confident85.7Confident0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-92.3-34.2-174.4-69.1172.1000114.1F578 L610 A611 R616 R617 L621 L624 F689F578-L614 HydrophobicContact CD1-CD1 4.15Å; F578-L614 HydrophobicContact CD1-CD2 3.88Å; F578-L614 HydrophobicContact CD1-CG 3.98Å; F578-L614 HydrophobicContact CE1-CD1 4.41Å; L610-L614 HydrophobicContact CD2-CD1 4.48Å; L610-L614 VanDerWaalsContact O-CB 3.31Å; L610-L614 WeakPolarHBondContact O-CB 3.23Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.1Å; A611-L614 PolarHBondContact O-N 3.49Å; L614-R616 PolarHBondContact O-N 3.02Å; L614-R617 CarbonylContact O-C 3.59Å; L614-R617 PolarHBondContact O-N 2.68Å; L614-L621 HydrophobicContact CB-CD1 4.33Å; L614-L624 HydrophobicContact CD1-CD2 4.02Å; L614-L624 HydrophobicContact CD2-CD2 4.18Å; L614-F689 HydrophobicContact CB-CD2 3.85Å; L614-F689 HydrophobicContact CB-CE2 3.49Å; L614-F689 VanDerWaalsContact CB-CE2 3.49Å; L614-F689 HydrophobicContact CB-CZ 4.44Å; L614-F689 HydrophobicContact CD1-CE2 3.48Å; L614-F689 VanDerWaalsContact CD1-CE2 3.48Å; L614-F689 HydrophobicContact CD1-CZ 3.62Å; L614-F689 HydrophobicContact CG-CE2 4.13Å
615S81.9Confident85.5Confident21 Ų2145.3 Ų45.315%0.14722%0.217CC..Hα-helixtrans-56.6-36.1179.666.60000111.6A611 R617 D685A611-S615 WeakPolarHBondContact O-CB 3.13Å; A611-S615 PolarHBondContact O-N 2.93Å; A611-S615 PolarHBondContact O-OG 3.12Å; S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 3.06Å; S615-D685 PolarHBondContact OG-OD1 3.25Å
616R78.8Confident85.2Confident167 Ų16742.9 Ų42.963%0.6320%0.203SC*.THydrogen-bonded Turntrans-77.9-8-179.1-60.5177.7-176.2-158.5-4.3113.8K612 L614 D685K612-R616 WeakPolarHBondContact O-CD 3.49Å; K612-R616 WeakPolarHBondContact O-CG 3.16Å; L614-R616 PolarHBondContact O-N 3.02Å; R616-D685 IonicContact NH2-OD2 2.71Å
617R83.4Confident84.3Confident42 Ų4245.9 Ų45.916%0.15822%0.215CC..  trans-126.356.8-170.7-59.8-175.366.8-156.9-2.2111.5F578 E581 G613 L614 S615 Q619 T620 L621F578-R617 VanDerWaalsContact O-CD 3.3Å; F578-R617 WeakPolarHBondContact O-CD 3.47Å; F578-R617 PolarHBondContact O-NH1 3.49Å; E581-R617 PolarHBondContact O-NH1 3.3Å; E581-R617 PolarHBondContact O-NH2 3.13Å; G613-R617 WeakPolarHBondContact O-CD 2.93Å; G613-R617 WeakPolarHBondContact O-CG 2.96Å; L614-R617 CarbonylContact O-C 3.59Å; L614-R617 PolarHBondContact O-N 2.68Å; S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 3.06Å; R617-Q619 PolarHBondContact O-N 2.9Å; R617-T620 PolarHBondContact NH2-OG1 3.05Å; R617-T620 WeakPolarHBondContact O-CB 3.21Å; R617-T620 PolarHBondContact O-N 2.72Å; R617-L621 PolarHBondContact O-N 3.09Å
618C75.4Confident83.2Confident63 Ų6353 Ų5343%0.42624%0.242SC..Hα-helixtrans-50.3-38-173.964.70000114.3L621 I622C618-L621 PolarHBondContact O-N 3.39Å; C618-I622 WeakPolarHBondContact O-CB 3.3Å; C618-I622 WeakPolarHBondContact O-CD1 3.49Å; C618-I622 WeakPolarHBondContact O-CG1 3.47Å; C618-I622 PolarHBondContact O-N 3.21Å
619Q77.4Confident81.9Confident150 Ų15051.9 Ų51.970%0.70125%0.245SC*.Hα-helixtrans-67.3-43.3178-65.4-177.31.600112.6R617 L621 I622 R623R617-Q619 PolarHBondContact O-N 2.9Å; Q619-L621 VanDerWaalsContact C-N 3.3Å; Q619-I622 PolarHBondContact O-N 2.74Å; Q619-R623 WeakPolarHBondContact O-CG 3.26Å; Q619-R623 PolarHBondContact O-N 3.2Å
620T82.4Confident80.7Confident17 Ų1753.6 Ų53.610%0.10426%0.255CS..Hα-helixtrans-63.4-41.9174.2-55.50000110.2L587 R617 R623 L624L587-T620 HydrophobicContact CD1-CG2 3.24Å; R617-T620 PolarHBondContact NH2-OG1 3.05Å; R617-T620 WeakPolarHBondContact O-CB 3.21Å; R617-T620 PolarHBondContact O-N 2.72Å; T620-R623 PolarHBondContact O-N 3.44Å; T620-L624 WeakPolarHBondContact O-CB 3.24Å; T620-L624 PolarHBondContact O-N 2.83Å
621L81.4Confident79Confident5 Ų562.1 Ų62.13%0.02630%0.295CS..Hα-helixtrans-65.3-39.8179.6-175.756.5000112.6L614 R617 C618 Q619 R623 L624 I625 F689 Y692L614-L621 HydrophobicContact CB-CD1 4.33Å; R617-L621 PolarHBondContact O-N 3.09Å; C618-L621 PolarHBondContact O-N 3.39Å; Q619-L621 VanDerWaalsContact C-N 3.3Å; L621-R623 VanDerWaalsContact C-N 3.28Å; L621-R623 PolarHBondContact O-N 3.09Å; L621-L624 HydrophobicContact CD1-CD2 4.4Å; L621-L624 PolarHBondContact O-N 3.24Å; L621-I625 PolarHBondContact O-N 3.35Å; L621-F689 HydrophobicContact CD1-CD2 4.36Å; L621-F689 HydrophobicContact CD1-CE2 3.57Å; L621-F689 HydrophobicContact CD1-CZ 4.39Å; L621-F689 HydrophobicContact CD2-CD2 4.18Å; L621-F689 HydrophobicContact CD2-CE2 4.21Å; L621-Y692 HydrophobicContact CD1-CD1 3.97Å; L621-Y692 HydrophobicContact CD1-CE1 3.72Å; L621-Y692 HydrophobicContact CD2-CD1 3.56Å; L621-Y692 HydrophobicContact CD2-CD2 3.64Å; L621-Y692 HydrophobicContact CD2-CE1 3.72Å; L621-Y692 HydrophobicContact CD2-CE2 3.75Å; L621-Y692 HydrophobicContact CD2-CG 3.56Å; L621-Y692 HydrophobicContact CG-CD1 3.74Å; L621-Y692 HydrophobicContact CG-CD2 4.27Å; L621-Y692 HydrophobicContact CG-CE1 3.38Å; L621-Y692 HydrophobicContact CG-CE2 3.91Å; L621-Y692 HydrophobicContact CG-CG 4.21Å; L621-Y692 VanDerWaalsContact CG-CZ 3.49Å; L621-Y692 PolarHBondContact O-OH 3.29Å
622I80.5Confident77.9Confident55 Ų5569.2 Ų69.228%0.28233%0.333SS..Hα-helixtrans-64-33.5173.6-70.1162.4000111.5C618 Q619 I625 P626 Y627 Y692C618-I622 WeakPolarHBondContact O-CB 3.3Å; C618-I622 WeakPolarHBondContact O-CD1 3.49Å; C618-I622 WeakPolarHBondContact O-CG1 3.47Å; C618-I622 PolarHBondContact O-N 3.21Å; Q619-I622 PolarHBondContact O-N 2.74Å; I622-I625 CarbonylContact O-C 3.57Å; I622-P626 WeakPolarHBondContact O-CA 3.21Å; I622-P626 WeakPolarHBondContact O-CG 3.41Å; I622-P626 VanDerWaalsContact O-N 3.13Å; I622-Y627 HydrophobicContact CG2-CD1 4.15Å; I622-Y627 HydrophobicContact CG2-CE1 3.92Å; I622-Y692 VanDerWaalsContact CA-OH 3.32Å; I622-Y692 WeakPolarHBondContact CA-OH 2.84Å; I622-Y692 PolarHBondContact N-OH 3.31Å
623R82Confident77.6Confident149 Ų14968 Ų6856%0.56233%0.33SS*.Hα-helixtrans-74.7-35.9174.8-70.3178.2176.2-168.5-4112.5P584 Q619 T620 L621P584-R623 HydrophobicContact CG-CB 3.94Å; Q619-R623 WeakPolarHBondContact O-CG 3.26Å; Q619-R623 PolarHBondContact O-N 3.2Å; T620-R623 PolarHBondContact O-N 3.44Å; L621-R623 VanDerWaalsContact C-N 3.28Å; L621-R623 PolarHBondContact O-N 3.09Å
624L87Confident77.8Confident0 Ų071.9 Ų71.90%035%0.353CS..Hα-helixtrans-71.9-43.5179.1-175.873.3000111.9L587 H588 I591 L614 T620 L621L587-L624 HydrophobicContact CB-CD1 3.82Å; H588-L624 PolarHBondContact CE1-O 3.44Å; H588-L624 VanDerWaalsContact CE1-O 3.25Å; I591-L624 HydrophobicContact CD1-CD1 4.14Å; I591-L624 HydrophobicContact CD1-CD2 3.69Å; I591-L624 HydrophobicContact CD1-CG 4.4Å; L614-L624 HydrophobicContact CD1-CD2 4.02Å; L614-L624 HydrophobicContact CD2-CD2 4.18Å; T620-L624 WeakPolarHBondContact O-CB 3.24Å; T620-L624 PolarHBondContact O-N 2.83Å; L621-L624 HydrophobicContact CD1-CD2 4.4Å; L621-L624 PolarHBondContact O-N 3.24Å
625I86.8Confident78.1Confident1 Ų173.1 Ų73.11%0.00536%0.359CS..SBendtrans-134.585.7177.3-47.5172000108L621 I622 L643 Y692 L693 R696L621-I625 PolarHBondContact O-N 3.35Å; I622-I625 CarbonylContact O-C 3.57Å; I625-L643 HydrophobicContact CD1-CD1 3.4Å; I625-L643 HydrophobicContact CG1-CD1 4.31Å; I625-Y692 HydrophobicContact CB-CE1 4.2Å; I625-Y692 PolarHBondContact O-OH 3.22Å; I625-L693 HydrophobicContact CD1-CD2 3.47Å; I625-L693 VanDerWaalsContact CD1-CD2 3.47Å; I625-R696 HydrophobicContact CG2-CB 4.16Å
626P82.8Confident78.5Confident39 Ų3972.3 Ų72.325%0.25335%0.354SS..  trans-60.8136.4174.5-22.932.8000111.7I622 R628 R696I622-P626 WeakPolarHBondContact O-CA 3.21Å; I622-P626 WeakPolarHBondContact O-CG 3.41Å; I622-P626 VanDerWaalsContact O-N 3.13Å; P626-R628 VanDerWaalsContact C-N 3.28Å; P626-R628 PolarHBondContact O-N 3.07Å; P626-R696 PolarHBondContact O-NH1 2.89Å
627Y74.3Confident79.1Confident64 Ų6467.7 Ų67.725%0.25134%0.339SS..SBendtrans-68.3-25.1177.854.6-91.7000113I622 I695 V746I622-Y627 HydrophobicContact CG2-CD1 4.15Å; I622-Y627 HydrophobicContact CG2-CE1 3.92Å; Y627-I695 VanDerWaalsContact CB-CG2 3.42Å; Y627-V746 HydrophobicContact CD2-CB 4.4Å; Y627-V746 HydrophobicContact CD2-CG1 3.91Å; Y627-V746 HydrophobicContact CE2-CB 4.34Å; Y627-V746 HydrophobicContact CE2-CG1 3.42Å; Y627-V746 VanDerWaalsContact CE2-CG1 3.42Å
628R70.2Confident79.5Confident150 Ų15067.9 Ų67.957%0.56634%0.341SS*.SBendtrans-92.7119.4171-70.7179.6-174.8171.93.4109.4P626 S630 R696P626-R628 VanDerWaalsContact C-N 3.28Å; P626-R628 PolarHBondContact O-N 3.07Å; R628-S630 PolarHBondContact O-N 3.42Å; R628-R696 PolarHBondContact O-NH1 2.75Å
629A63.3Low80.4Confident43 Ų4364.9 Ų64.936%0.35532%0.321SS..PPolyproline II helixtrans-69.4117.6170.900000109.8
630S65.6Low81.1Confident66 Ų6657.8 Ų57.846%0.46229%0.288SS..PPolyproline II helixtrans-86.412715072.80000106.3R628 N632 D633R628-S630 PolarHBondContact O-N 3.42Å; S630-N632 PolarHBondContact O-N 3.37Å; S630-D633 PolarHBondContact O-N 3.07Å
631H58.3Low81.7Confident179 Ų17957.8 Ų57.883%0.82929%0.287SS*.THydrogen-bonded Turntrans-64.7-3.6-178.7-70.5-69.1000113.8
632N66.8Low82.4Confident150 Ų15057.7 Ų57.780%0.80229%0.287SS*.THydrogen-bonded Turntrans-107.9-0.7-173.3-65.4-9.7000113.8S630 V634S630-N632 PolarHBondContact O-N 3.37Å; N632-V634 PolarHBondContact O-N 3.26Å
633D83.1Confident83.1Confident62 Ų6255 Ų5533%0.33227%0.273SS..  trans-97.277.9-177.3-158.5-22.4000112.7S630 L635 V636 E637S630-D633 PolarHBondContact O-N 3.07Å; D633-L635 PolarHBondContact O-N 3.48Å; D633-L635 PolarHBondContact OD1-N 3.26Å; D633-V636 HydrophobicContact CB-CB 4.2Å; D633-V636 HydrophobicContact CB-CG2 4.3Å; D633-V636 VanDerWaalsContact CG-CG2 3.42Å; D633-V636 PolarHBondContact O-N 3.27Å; D633-V636 PolarHBondContact OD1-N 2.62Å; D633-V636 VanDerWaalsContact OD2-CG2 3.26Å; D633-V636 WeakPolarHBondContact OD2-CG2 3.3Å; D633-E637 PolarHBondContact O-N 2.59Å; D633-E637 VanDerWaalsContact O-N 3.11Å
634V88.3Confident83.8Confident86 Ų8648 Ų4852%0.52125%0.247SC..Hα-helixtrans-58.4-34.1-178.9-178.90000112.3T543 N632 E637 K638T543-V634 HydrophobicContact CG2-CG1 4.06Å; N632-V634 PolarHBondContact O-N 3.26Å; V634-E637 PolarHBondContact O-N 2.67Å; V634-K638 HydrophobicContact CG1-CG 4.43Å; V634-K638 WeakPolarHBondContact O-CG 3.36Å; V634-K638 PolarHBondContact O-N 2.71Å
635L90.2Very high84.2Confident26 Ų2649.3 Ų49.314%0.13625%0.254CS..Hα-helixtrans-67.7-46.5-178.9174.460.9000111.4T543 L546 H588 D633 E637 K638 T639T543-L635 HydrophobicContact CG2-CB 4.4Å; T543-L635 HydrophobicContact CG2-CD1 4.33Å; L546-L635 HydrophobicContact CB-CD1 4.33Å; L546-L635 HydrophobicContact CD1-CD1 4.2Å; L546-L635 HydrophobicContact CD1-CD2 4.35Å; L546-L635 HydrophobicContact CD2-CD1 3.81Å; L546-L635 HydrophobicContact CG-CD1 4.36Å; H588-L635 HydrophobicContact CB-CD1 4.03Å; H588-L635 HydrophobicContact CB-CD2 4.34Å; H588-L635 HydrophobicContact CB-CG 4.34Å; D633-L635 PolarHBondContact O-N 3.48Å; D633-L635 PolarHBondContact OD1-N 3.26Å; L635-E637 VanDerWaalsContact C-N 3.31Å; L635-K638 PolarHBondContact O-N 3.19Å; L635-T639 WeakPolarHBondContact O-CB 3.45Å; L635-T639 PolarHBondContact O-N 3.38Å; L635-T639 PolarHBondContact O-OG1 3.45Å
636V90.8Very high84.6Confident4 Ų449.3 Ų49.32%0.02425%0.254CS..Hα-helixtrans-61.1-44.1175.5169.40000110.3D633 T639 H640D633-V636 HydrophobicContact CB-CB 4.2Å; D633-V636 HydrophobicContact CB-CG2 4.3Å; D633-V636 VanDerWaalsContact CG-CG2 3.42Å; D633-V636 PolarHBondContact O-N 3.27Å; D633-V636 PolarHBondContact OD1-N 2.62Å; D633-V636 VanDerWaalsContact OD2-CG2 3.26Å; D633-V636 WeakPolarHBondContact OD2-CG2 3.3Å; V636-T639 PolarHBondContact O-N 3.46Å; V636-H640 WeakPolarHBondContact O-CB 3.45Å; V636-H640 PolarHBondContact O-N 2.68Å
637E90.9Very high85.2Confident71 Ų7147.5 Ų47.533%0.33224%0.242SC..Hα-helixtrans-58.7-51.8178.4-169.4-177.8132.200112.2D633 V634 L635 T639 H640 N641 S699D633-E637 PolarHBondContact O-N 2.59Å; D633-E637 VanDerWaalsContact O-N 3.11Å; V634-E637 PolarHBondContact O-N 2.67Å; L635-E637 VanDerWaalsContact C-N 3.31Å; E637-T639 VanDerWaalsContact C-N 3.29Å; E637-T639 PolarHBondContact O-N 3.2Å; E637-H640 PolarHBondContact O-N 2.66Å; E637-N641 PolarHBondContact O-N 2.77Å; E637-S699 VanDerWaalsContact CG-CB 3.44Å; E637-S699 WeakPolarHBondContact OE1-CB 3.44Å; E637-S699 PolarHBondContact OE1-OG 3.2Å
638K92.2Very high86.1Confident45 Ų4544.4 Ų44.420%0.19623%0.23CC..Hα-helixtrans-61.3-38.8178.5-70.4-157.3-174.3-173.20112.4W540 N541 V542 T543 V634 L635 N641 V642W540-K638 PolarHBondContact O-NZ 3.49Å; N541-K638 WeakPolarHBondContact O-CD 3.43Å; V542-K638 PolarHBondContact O-NZ 2.71Å; T543-K638 HydrophobicContact CG2-CD 3.89Å; T543-K638 HydrophobicContact CG2-CG 4.44Å; V634-K638 HydrophobicContact CG1-CG 4.43Å; V634-K638 WeakPolarHBondContact O-CG 3.36Å; V634-K638 PolarHBondContact O-N 2.71Å; L635-K638 PolarHBondContact O-N 3.19Å; K638-N641 PolarHBondContact O-N 2.84Å; K638-V642 WeakPolarHBondContact O-CG2 3.5Å; K638-V642 PolarHBondContact O-N 2.98Å
639T93.9Very high87.2Confident0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-67.5-40.5178.3-52.30000111.4H588 I591 H592 L635 V636 E637 N641 V642 L643H588-T639 WeakPolarHBondContact ND1-CB 3.37Å; H588-T639 WeakPolarHBondContact ND1-CG2 3.5Å; H588-T639 PolarHBondContact ND1-OG1 3.04Å; I591-T639 HydrophobicContact CB-CG2 4.47Å; I591-T639 HydrophobicContact CD1-CG2 3.94Å; I591-T639 HydrophobicContact CG2-CG2 4.15Å; H592-T639 PolarHBondContact NE2-OG1 2.58Å; L635-T639 WeakPolarHBondContact O-CB 3.45Å; L635-T639 PolarHBondContact O-N 3.38Å; L635-T639 PolarHBondContact O-OG1 3.45Å; V636-T639 PolarHBondContact O-N 3.46Å; E637-T639 VanDerWaalsContact C-N 3.29Å; E637-T639 PolarHBondContact O-N 3.2Å; T639-N641 VanDerWaalsContact C-N 3.34Å; T639-V642 PolarHBondContact O-N 2.79Å; T639-L643 HydrophobicContact CG2-CD1 4.22Å; T639-L643 WeakPolarHBondContact O-CG 3.45Å; T639-L643 PolarHBondContact O-N 3.37Å
640H93.4Very high88.6Confident1 Ų138.4 Ų38.41%0.00520%0.198CC..Hα-helixtrans-61.6-43.5174.3-178.1-148.1000111.2V636 E637 L643 L644 L693 R696V636-H640 WeakPolarHBondContact O-CB 3.45Å; V636-H640 PolarHBondContact O-N 2.68Å; E637-H640 PolarHBondContact O-N 2.66Å; H640-L643 PolarHBondContact O-N 3.17Å; H640-L644 WeakPolarHBondContact O-CB 3.48Å; H640-L644 VanDerWaalsContact O-CG 3.28Å; H640-L644 WeakPolarHBondContact O-CG 3.44Å; H640-L644 PolarHBondContact O-N 3.26Å; H640-L693 PolarHBondContact NE2-O 3.33Å; H640-R696 PolarHBondContact CE1-O 2.73Å
641N94.4Very high89.7Confident17 Ų1735.9 Ų35.99%0.09118%0.179CC..Hα-helixtrans-61.6-44.5176.1-70.6-12.8000112.6E637 K638 T639 L643 L644 D645 S699 G702E637-N641 PolarHBondContact O-N 2.77Å; K638-N641 PolarHBondContact O-N 2.84Å; T639-N641 VanDerWaalsContact C-N 3.34Å; N641-L643 PolarHBondContact O-N 2.73Å; N641-L644 PolarHBondContact O-N 3.31Å; N641-D645 WeakPolarHBondContact O-CB 3.42Å; N641-D645 PolarHBondContact O-N 3.15Å; N641-S699 PolarHBondContact ND2-OG 2.98Å; N641-S699 PolarHBondContact OD1-OG 3.33Å; N641-G702 VanDerWaalsContact OD1-CA 3.3Å; N641-G702 WeakPolarHBondContact OD1-CA 3.37Å; N641-G702 PolarHBondContact OD1-N 3.44Å
642V94.9Very high91.1Very high3 Ų331.4 Ų31.42%0.01816%0.155CC..Hα-helixtrans-58.7-46.3175.2160.30000111.4I591 Y595 K638 T639 D645 L646I591-V642 HydrophobicContact CG2-CG1 3.73Å; Y595-V642 HydrophobicContact CD1-CG1 4.22Å; Y595-V642 HydrophobicContact CD1-CG2 3.9Å; Y595-V642 HydrophobicContact CD2-CB 4.39Å; Y595-V642 HydrophobicContact CD2-CG1 3.58Å; Y595-V642 HydrophobicContact CD2-CG2 4.39Å; Y595-V642 HydrophobicContact CE1-CG2 4.06Å; Y595-V642 HydrophobicContact CE2-CG1 4.24Å; Y595-V642 HydrophobicContact CE2-CG2 4.48Å; Y595-V642 HydrophobicContact CG-CB 4.38Å; Y595-V642 HydrophobicContact CG-CG1 3.54Å; Y595-V642 HydrophobicContact CG-CG2 4.08Å; K638-V642 WeakPolarHBondContact O-CG2 3.5Å; K638-V642 PolarHBondContact O-N 2.98Å; T639-V642 PolarHBondContact O-N 2.79Å; V642-D645 PolarHBondContact O-N 3.03Å; V642-L646 HydrophobicContact CG1-CD1 4.09Å; V642-L646 WeakPolarHBondContact O-CG 3.35Å; V642-L646 PolarHBondContact O-N 3.43Å
643L95.7Very high92Very high0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-67.5-42178.6-69.9169.8000112I591 L610 I625 T639 H640 N641 D645 L646 F647 F689 L693I591-L643 HydrophobicContact CD1-CD1 4.26Å; I591-L643 HydrophobicContact CD1-CD2 4.35Å; I591-L643 HydrophobicContact CG2-CD2 3.94Å; I591-L643 HydrophobicContact CG2-CG 4.15Å; L610-L643 HydrophobicContact CD1-CD2 4.14Å; I625-L643 HydrophobicContact CD1-CD1 3.4Å; I625-L643 HydrophobicContact CG1-CD1 4.31Å; T639-L643 HydrophobicContact CG2-CD1 4.22Å; T639-L643 WeakPolarHBondContact O-CG 3.45Å; T639-L643 PolarHBondContact O-N 3.37Å; H640-L643 PolarHBondContact O-N 3.17Å; N641-L643 PolarHBondContact O-N 2.73Å; L643-D645 VanDerWaalsContact C-N 3.25Å; L643-D645 PolarHBondContact O-N 3.4Å; L643-L646 PolarHBondContact O-N 3.05Å; L643-F647 HydrophobicContact CD2-CE2 4.39Å; L643-F647 VanDerWaalsContact O-CD2 3.31Å; L643-F647 WeakPolarHBondContact O-CD2 3.41Å; L643-F647 PolarHBondContact O-N 2.94Å; L643-F689 HydrophobicContact CD1-CZ 4.24Å; L643-F689 HydrophobicContact CD2-CE1 4.29Å; L643-F689 HydrophobicContact CD2-CZ 4.3Å; L643-L693 HydrophobicContact CB-CD1 4Å; L643-L693 HydrophobicContact CB-CD2 3.93Å; L643-L693 HydrophobicContact CD1-CD2 4.1Å
644L96Very high91.8Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-58-41.3173.9-75.6172000111.2H640 N641 A648 L693 N705 Y706 I709H640-L644 WeakPolarHBondContact O-CB 3.48Å; H640-L644 VanDerWaalsContact O-CG 3.28Å; H640-L644 WeakPolarHBondContact O-CG 3.44Å; H640-L644 PolarHBondContact O-N 3.26Å; N641-L644 PolarHBondContact O-N 3.31Å; L644-A648 WeakPolarHBondContact O-CB 3.39Å; L644-A648 PolarHBondContact O-N 3.46Å; L644-L693 HydrophobicContact CD2-CB 4.04Å; L644-L693 HydrophobicContact CD2-CD1 4.48Å; L644-N705 HydrophobicContact CB-CB 4.12Å; L644-Y706 HydrophobicContact CD1-CD2 4.34Å; L644-Y706 HydrophobicContact CD2-CD2 4.18Å; L644-I709 HydrophobicContact CD2-CD1 3.9Å
645D95.8Very high91.3Very high29 Ų2921.2 Ų21.216%0.15510%0.102CC..Hα-helixtrans-67.4-48.1177.8-175.167.7000113.1Y595 N641 V642 L643 F647 A648 R649 N705Y595-D645 HydrophobicContact CE2-CB 4.31Å; Y595-D645 WeakPolarHBondContact CE2-OD2 3.33Å; Y595-D645 PolarHBondContact OH-OD2 3.42Å; N641-D645 WeakPolarHBondContact O-CB 3.42Å; N641-D645 PolarHBondContact O-N 3.15Å; V642-D645 PolarHBondContact O-N 3.03Å; L643-D645 VanDerWaalsContact C-N 3.25Å; L643-D645 PolarHBondContact O-N 3.4Å; D645-F647 PolarHBondContact O-N 3.21Å; D645-A648 PolarHBondContact O-N 2.97Å; D645-R649 WeakPolarHBondContact O-CG 3.21Å; D645-R649 PolarHBondContact O-N 3.48Å; D645-R649 IonicContact OD2-CZ 3.87Å; D645-R649 IonicContact OD2-NE 3.62Å; D645-R649 PolarHBondContact OD2-NE 3.18Å; D645-R649 IonicContact OD2-NH2 3.59Å; D645-R649 PolarHBondContact OD2-NH2 3.07Å; D645-N705 VanDerWaalsContact CA-ND2 3.32Å; D645-N705 WeakPolarHBondContact CA-ND2 3.2Å; D645-N705 WeakPolarHBondContact CB-ND2 3.36Å; D645-N705 PolarHBondContact OD1-ND2 2.91Å
646L95.3Very high90.3Very high1 Ų126.9 Ų26.91%0.00513%0.128CC..Hα-helixtrans-55-52.1177-75.5172000111.6Y595 L598 L603 L610 V642 L643 R649 Y650Y595-L646 HydrophobicContact CD2-CD1 4.19Å; Y595-L646 HydrophobicContact CD2-CD2 3.81Å; Y595-L646 HydrophobicContact CD2-CG 3.78Å; Y595-L646 HydrophobicContact CE2-CD2 4.43Å; Y595-L646 HydrophobicContact CE2-CG 4.34Å; L598-L646 HydrophobicContact CD2-CD2 3.38Å; L603-L646 HydrophobicContact CD1-CD2 3.82Å; L610-L646 HydrophobicContact CD1-CD1 4.19Å; V642-L646 HydrophobicContact CG1-CD1 4.09Å; V642-L646 WeakPolarHBondContact O-CG 3.35Å; V642-L646 PolarHBondContact O-N 3.43Å; L643-L646 PolarHBondContact O-N 3.05Å; L646-R649 PolarHBondContact O-N 2.96Å; L646-Y650 WeakPolarHBondContact O-CB 3.44Å; L646-Y650 PolarHBondContact O-N 2.92Å
647F95.3Very high89.1Confident0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-73-30.5-177.4-78.1-94000112.2C607 L610 A611 L643 D645 L651 V686 F689 T690 L693 I709C607-F647 HydrophobicContact CB-CD1 4.46Å; C607-F647 HydrophobicContact CB-CE1 4.05Å; C607-F647 HydrophobicContact CB-CZ 4.11Å; C607-F647 WeakPolarHBondContact O-CZ 3.49Å; L610-F647 HydrophobicContact CB-CZ 4.34Å; L610-F647 HydrophobicContact CD1-CE2 4.48Å; A611-F647 HydrophobicContact CB-CE1 4.24Å; A611-F647 HydrophobicContact CB-CZ 4.23Å; L643-F647 HydrophobicContact CD2-CE2 4.39Å; L643-F647 VanDerWaalsContact O-CD2 3.31Å; L643-F647 WeakPolarHBondContact O-CD2 3.41Å; L643-F647 PolarHBondContact O-N 2.94Å; D645-F647 PolarHBondContact O-N 3.21Å; F647-L651 WeakPolarHBondContact O-CB 3.42Å; F647-L651 VanDerWaalsContact O-CG 3.26Å; F647-L651 WeakPolarHBondContact O-CG 3.14Å; F647-L651 PolarHBondContact O-N 2.92Å; F647-V686 HydrophobicContact CD1-CG1 4.34Å; F647-V686 HydrophobicContact CE1-CG1 4.09Å; F647-F689 HydrophobicContact CD1-CD1 4.36Å; F647-F689 HydrophobicContact CD2-CD1 4.21Å; F647-F689 HydrophobicContact CD2-CE1 4.01Å; F647-F689 AromaticContact CE1-CD1 3.68Å; F647-F689 HydrophobicContact CE1-CD1 3.68Å; F647-F689 HydrophobicContact CE1-CE1 4.33Å; F647-F689 AromaticContact CE2-CD1 3.53Å; F647-F689 HydrophobicContact CE2-CD1 3.53Å; F647-F689 AromaticContact CE2-CE1 3.3Å; F647-F689 HydrophobicContact CE2-CE1 3.3Å; F647-F689 AromaticContact CZ-CD1 3.22Å; F647-F689 HydrophobicContact CZ-CD1 3.22Å; F647-F689 AromaticContact CZ-CE1 3.5Å; F647-F689 HydrophobicContact CZ-CE1 3.5Å; F647-F689 VanDerWaalsContact CZ-CE1 3.5Å; F647-F689 HydrophobicContact CZ-CG 4.3Å; F647-T690 HydrophobicContact CB-CG2 4.23Å; F647-T690 WeakPolarHBondContact CD1-OG1 2.92Å; F647-L693 HydrophobicContact CB-CD1 4.24Å; F647-L693 HydrophobicContact CD2-CD1 4.02Å; F647-L693 HydrophobicContact CG-CD1 4.2Å; F647-I709 HydrophobicContact CB-CD1 4.41Å
648A94.7Very high87.8Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-65.6-43.2170.900000111.8L644 D645 L651 R652 N705 F708 I709L644-A648 WeakPolarHBondContact O-CB 3.39Å; L644-A648 PolarHBondContact O-N 3.46Å; D645-A648 PolarHBondContact O-N 2.97Å; A648-L651 PolarHBondContact O-N 3.04Å; A648-R652 WeakPolarHBondContact O-CB 3.47Å; A648-R652 VanDerWaalsContact O-CG 3.26Å; A648-R652 WeakPolarHBondContact O-CG 3.46Å; A648-R652 PolarHBondContact O-N 3.31Å; A648-N705 HydrophobicContact CB-CB 3.9Å; A648-N705 WeakPolarHBondContact CB-OD1 3.45Å; A648-F708 HydrophobicContact CB-CD1 3.86Å; A648-F708 HydrophobicContact CB-CE1 4.27Å; A648-I709 HydrophobicContact CB-CD1 4.22Å; A648-I709 HydrophobicContact CB-CG1 4.29Å
649R93.4Very high86.4Confident65 Ų6533.1 Ų33.125%0.24517%0.172CC..Hα-helixtrans-62.6-44.8175-76.1-169.4-82.8158-8.5111.7L603 D645 L646 R652 S653L603-R649 HydrophobicContact CD2-CB 3.69Å; D645-R649 WeakPolarHBondContact O-CG 3.21Å; D645-R649 PolarHBondContact O-N 3.48Å; D645-R649 IonicContact OD2-CZ 3.87Å; D645-R649 IonicContact OD2-NE 3.62Å; D645-R649 PolarHBondContact OD2-NE 3.18Å; D645-R649 IonicContact OD2-NH2 3.59Å; D645-R649 PolarHBondContact OD2-NH2 3.07Å; L646-R649 PolarHBondContact O-N 2.96Å; R649-R652 PolarHBondContact O-N 2.89Å; R649-S653 PolarHBondContact O-N 2.96Å
650Y92Very high85Confident2 Ų240.5 Ų40.51%0.00820%0.204CC..Hα-helixtrans-61.1-44.6176.3170.2-100.1000112.6E604 C607 L646 S653 T654 T682 V686E604-Y650 HydrophobicContact CB-CD2 4.19Å; E604-Y650 HydrophobicContact CB-CE2 4.04Å; E604-Y650 HydrophobicContact CG-CD2 4.48Å; E604-Y650 HydrophobicContact CG-CE2 3.85Å; C607-Y650 HydrophobicContact CB-CD1 4.5Å; C607-Y650 HydrophobicContact CB-CD2 4.21Å; C607-Y650 HydrophobicContact CB-CG 4.01Å; L646-Y650 WeakPolarHBondContact O-CB 3.44Å; L646-Y650 PolarHBondContact O-N 2.92Å; Y650-S653 PolarHBondContact O-N 2.87Å; Y650-S653 PolarHBondContact O-OG 3.26Å; Y650-T654 HydrophobicContact CD2-CG2 4.29Å; Y650-T654 HydrophobicContact CE1-CG2 4.23Å; Y650-T654 HydrophobicContact CE2-CG2 3.71Å; Y650-T654 WeakPolarHBondContact O-CG2 3.45Å; Y650-T654 PolarHBondContact O-N 3.13Å; Y650-T654 VanDerWaalsContact O-N 3.08Å; Y650-T654 PolarHBondContact O-OG1 3.22Å; Y650-T682 PolarHBondContact OH-OG1 3.47Å; Y650-V686 HydrophobicContact CD1-CG1 4.04Å; Y650-V686 HydrophobicContact CE1-CG1 3.48Å; Y650-V686 VanDerWaalsContact CE1-CG1 3.48Å
651L88.5Confident83.4Confident13 Ų1349 Ų497%0.06825%0.25CC..Hα-helixtrans-66.2-38.5177.1-75173.2000111.8F647 A648 T654 L655 T690 F708 I709 L712F647-L651 WeakPolarHBondContact O-CB 3.42Å; F647-L651 VanDerWaalsContact O-CG 3.26Å; F647-L651 WeakPolarHBondContact O-CG 3.14Å; F647-L651 PolarHBondContact O-N 2.92Å; A648-L651 PolarHBondContact O-N 3.04Å; L651-T654 WeakPolarHBondContact CA-OG1 3.44Å; L651-T654 PolarHBondContact O-N 2.99Å; L651-T654 PolarHBondContact O-OG1 2.89Å; L651-L655 WeakPolarHBondContact O-CB 3.06Å; L651-L655 WeakPolarHBondContact O-CD1 3.06Å; L651-L655 WeakPolarHBondContact O-CG 3.46Å; L651-L655 PolarHBondContact O-N 2.92Å; L651-T690 HydrophobicContact CD1-CG2 3.83Å; L651-F708 HydrophobicContact CB-CE1 3.93Å; L651-F708 HydrophobicContact CB-CZ 4.36Å; L651-I709 HydrophobicContact CD1-CG1 4.12Å; L651-L712 HydrophobicContact CB-CD2 4.16Å; L651-L712 HydrophobicContact CD1-CD2 3.84Å; L651-L712 HydrophobicContact CD2-CD2 4.1Å; L651-L712 HydrophobicContact CG-CD2 4.27Å
652R88.7Confident81.7Confident84 Ų8456.8 Ų56.832%0.31729%0.286SS..Hα-helixtrans-62.4-44.7174.6-72.9176-165.9124.52111.8A648 R649 T654 L655 H656 N705 F708A648-R652 WeakPolarHBondContact O-CB 3.47Å; A648-R652 VanDerWaalsContact O-CG 3.26Å; A648-R652 WeakPolarHBondContact O-CG 3.46Å; A648-R652 PolarHBondContact O-N 3.31Å; R649-R652 PolarHBondContact O-N 2.89Å; R652-T654 VanDerWaalsContact C-N 3.34Å; R652-T654 PolarHBondContact O-N 3.01Å; R652-L655 PolarHBondContact O-N 3.49Å; R652-H656 PolarHBondContact O-CD2 3.28Å; R652-H656 PolarHBondContact O-N 3.28Å; R652-N705 PolarHBondContact NH1-OD1 3.47Å; R652-N705 PolarHBondContact NH2-OD1 2.96Å; R652-F708 HydrophobicContact CG-CE1 3.72Å; R652-F708 HydrophobicContact CG-CE2 4.07Å; R652-F708 HydrophobicContact CG-CZ 3.44Å; R652-F708 VanDerWaalsContact CG-CZ 3.44Å
653S84.6Confident80.1Confident51 Ų5161.8 Ų61.836%0.35731%0.309SS..Hα-helixtrans-65.1-39-179.567.70000112.2R649 Y650 N657R649-S653 PolarHBondContact O-N 2.96Å; Y650-S653 PolarHBondContact O-N 2.87Å; Y650-S653 PolarHBondContact O-OG 3.26Å; S653-N657 PolarHBondContact O-ND2 2.88Å
654T79.8Confident78.7Confident16 Ų1666.9 Ų66.910%0.09834%0.335CS..Hα-helixtrans-72-35.4178.152.10000113.2Y650 L651 R652 H656 N657Y650-T654 HydrophobicContact CD2-CG2 4.29Å; Y650-T654 HydrophobicContact CE1-CG2 4.23Å; Y650-T654 HydrophobicContact CE2-CG2 3.71Å; Y650-T654 WeakPolarHBondContact O-CG2 3.45Å; Y650-T654 PolarHBondContact O-N 3.13Å; Y650-T654 VanDerWaalsContact O-N 3.08Å; Y650-T654 PolarHBondContact O-OG1 3.22Å; L651-T654 WeakPolarHBondContact CA-OG1 3.44Å; L651-T654 PolarHBondContact O-N 2.99Å; L651-T654 PolarHBondContact O-OG1 2.89Å; R652-T654 VanDerWaalsContact C-N 3.34Å; R652-T654 PolarHBondContact O-N 3.01Å; T654-H656 VanDerWaalsContact C-N 3.32Å; T654-H656 PolarHBondContact O-N 3.02Å; T654-N657 PolarHBondContact O-N 3.22Å
655L76.4Confident77.3Confident18 Ų1867.1 Ų67.19%0.09434%0.337CS..Hα-helixtrans-69.1-27.2176.4-72.3168.7000113.9L651 R652 N657 F674 Q678 F708 L712L651-L655 WeakPolarHBondContact O-CB 3.06Å; L651-L655 WeakPolarHBondContact O-CD1 3.06Å; L651-L655 WeakPolarHBondContact O-CG 3.46Å; L651-L655 PolarHBondContact O-N 2.92Å; R652-L655 PolarHBondContact O-N 3.49Å; L655-N657 VanDerWaalsContact C-N 3.32Å; L655-F674 HydrophobicContact CD2-CD2 3.45Å; L655-F674 VanDerWaalsContact CD2-CD2 3.45Å; L655-F674 HydrophobicContact CD2-CE2 3.27Å; L655-F674 HydrophobicContact CD2-CG 4.28Å; L655-F674 HydrophobicContact CD2-CZ 3.96Å; L655-Q678 HydrophobicContact CD2-CB 4.37Å; L655-F708 HydrophobicContact CD1-CE2 4.46Å; L655-F708 HydrophobicContact CD1-CZ 3.98Å; L655-L712 HydrophobicContact CD1-CD1 3.68Å; L655-L712 HydrophobicContact CD1-CD2 3.86Å; L655-L712 HydrophobicContact CD1-CG 4.43Å; L655-L712 HydrophobicContact CD2-CD1 4.16Å
656H69.3Low76Confident145 Ų14574.6 Ų74.667%0.67136%0.363SS*.Hα-helixtrans-80.4-13.6177.6-77.2-57.6000113.6R652 T654 P658R652-H656 PolarHBondContact O-CD2 3.28Å; R652-H656 PolarHBondContact O-N 3.28Å; T654-H656 VanDerWaalsContact C-N 3.32Å; T654-H656 PolarHBondContact O-N 3.02Å; H656-P658 VanDerWaalsContact O-CD 3.25Å; H656-P658 WeakPolarHBondContact O-CD 3.46Å
657N65.9Low74.8Confident114 Ų11483 Ų8361%0.6140%0.402SS*.SBendtrans-94.1102.7175.5-71.6-21.7000109.1S653 T654 L655 V659S653-N657 PolarHBondContact O-ND2 2.88Å; T654-N657 PolarHBondContact O-N 3.22Å; L655-N657 VanDerWaalsContact C-N 3.32Å; N657-V659 PolarHBondContact O-N 3.13Å
658P64Low73.6Confident113 Ų11388 Ų8873%0.73443%0.429SS*.PPolyproline II helixtrans-62.7123.9179.825.2-32.4000109.8H656 K660H656-P658 VanDerWaalsContact O-CD 3.25Å; H656-P658 WeakPolarHBondContact O-CD 3.46Å; P658-K660 PolarHBondContact O-N 3.47Å; P658-K660 VanDerWaalsContact O-N 3.14Å
659V63.5Low72.9Confident24 Ų2489.6 Ų89.615%0.14544%0.436CS..PPolyproline II helixtrans-55.5118.9169.9177.60000107.2N657 E663 S679 I681N657-V659 PolarHBondContact O-N 3.13Å; V659-E663 HydrophobicContact CG1-CB 4.14Å; V659-S679 VanDerWaalsContact CG2-O 3.27Å; V659-S679 WeakPolarHBondContact CG2-O 3.16Å; V659-I681 HydrophobicContact CG1-CD1 3.9Å; V659-I681 HydrophobicContact CG1-CG1 4.36Å; V659-I681 HydrophobicContact CG2-CD1 4.49Å; V659-I681 HydrophobicContact CG2-CG1 4.18Å
660K63.8Low72.1Confident154 Ų15487 Ų8767%0.6743%0.427SS*.PPolyproline II helixtrans-67.1140.1174.7-65.9176.1-178.2172.40107.5P658 E662 E663P658-K660 PolarHBondContact O-N 3.47Å; P658-K660 VanDerWaalsContact O-N 3.14Å; K660-E662 PolarHBondContact O-N 2.89Å; K660-E663 PolarHBondContact O-N 3.05Å
661D60.5Low71.4Confident180 Ų18089.7 Ų89.796%0.96344%0.44SS*.THydrogen-bonded Turntrans-53.8-18.1-176.2-72.1-37.7000114.2
662E57Low70.9Confident181 Ų18189.3 Ų89.385%0.84644%0.438SS*.THydrogen-bonded Turntrans-92.7-10178.2-61.2-176.4169.100115K660 I664K660-E662 PolarHBondContact O-N 2.89Å; E662-I664 PolarHBondContact O-N 3.24Å
663E62.9Low70.5Confident107 Ų10789.5 Ų89.550%0.544%0.443SS..  trans-79.9105.6-179.7-84.1-177.816400111.3V659 K660 I681V659-E663 HydrophobicContact CG1-CB 4.14Å; K660-E663 PolarHBondContact O-N 3.05Å; E663-I681 HydrophobicContact CB-CD1 4.07Å; E663-I681 WeakPolarHBondContact O-CD1 3.22Å
664I65.9Low70.1Confident107 Ų10787.5 Ų87.555%0.54943%0.427SS..  trans-92.2131.3175.2-55.4171000108.8E662 R666 A728E662-I664 PolarHBondContact O-N 3.24Å; I664-R666 PolarHBondContact O-N 3.01Å; I664-A728 HydrophobicContact CD1-CB 4.25Å; I664-A728 HydrophobicContact CG1-CB 4.33Å; I664-A728 HydrophobicContact CG2-CB 3.98Å
665A65.3Low69.7Low5 Ų590.5 Ų90.54%0.04144%0.44CS..  trans-56.5132.4173.200000111E669 Q671 I681 H726A665-E669 HydrophobicContact CB-CB 4.04Å; A665-Q671 HydrophobicContact CB-CB 4.29Å; A665-I681 HydrophobicContact CB-CG2 4.12Å; A665-H726 WeakPolarHBondContact CB-O 3.14Å
666R70.4Confident69.5Low186 Ų18692.9 Ų92.970%0.70245%0.453SS*.  trans-85.9176.5179.6-59.2178-175.5149.92.5111.3I664 N668 E669I664-R666 PolarHBondContact O-N 3.01Å; R666-N668 PolarHBondContact O-N 2.99Å; R666-E669 HydrophobicContact CB-CG 4.46Å; R666-E669 WeakPolarHBondContact CB-OE2 3.42Å; R666-E669 PolarHBondContact N-OE2 2.9Å; R666-E669 WeakPolarHBondContact O-CB 3.21Å; R666-E669 PolarHBondContact O-N 3.35Å
667E68.9Low69.5Low177 Ų17792.5 Ų92.583%0.82746%0.456SS*.THydrogen-bonded Turntrans-56.5126.8175.1-159.2173.3-169.900111
668N71.4Confident70Confident105 Ų10590.6 Ų90.656%0.56144%0.443SS*.THydrogen-bonded Turntrans743.7-170.6-55.5-44.8000117.6R666 M683 A684R666-N668 PolarHBondContact O-N 2.99Å; N668-M683 HydrophobicContact CB-CE 3.96Å; N668-A684 PolarHBondContact O-N 3.19Å
669E79.3Confident70.6Confident34 Ų3487 Ų8716%0.15942%0.421CS..EExtended strand (participates in β ladder)trans-93.3154.4169.7-65.7174.3169.700111.1A665 R666 I681 T682 M683 H726A665-E669 HydrophobicContact CB-CB 4.04Å; R666-E669 HydrophobicContact CB-CG 4.46Å; R666-E669 WeakPolarHBondContact CB-OE2 3.42Å; R666-E669 PolarHBondContact N-OE2 2.9Å; R666-E669 WeakPolarHBondContact O-CB 3.21Å; R666-E669 PolarHBondContact O-N 3.35Å; E669-I681 HydrophobicContact CB-CG2 3.87Å; E669-I681 HydrophobicContact CG-CG2 4.28Å; E669-T682 CarbonylContact C-O 3.6Å; E669-T682 WeakPolarHBondContact CA-O 3.11Å; E669-M683 HydrophobicContact CG-SD 3.64Å; E669-H726 PolarHBondContact O-ND1 3.22Å; E669-H726 VanDerWaalsContact O-ND1 3.13Å
670L75.2Confident71.3Confident11 Ų1186.1 Ų86.16%0.05842%0.416CS..EExtended strand (participates in β ladder)trans-122.1121.7175.5-65.6175.2000107.9I672 I681 T682 A684 F687 F724L670-I672 HydrophobicContact CB-CG1 4.21Å; L670-I672 PolarHBondContact O-N 2.98Å; L670-I681 WeakPolarHBondContact O-CA 3.3Å; L670-T682 PolarHBondContact N-O 3.15Å; L670-T682 PolarHBondContact O-N 3.06Å; L670-A684 HydrophobicContact CD1-CB 3.85Å; L670-A684 HydrophobicContact CG-CB 4.03Å; L670-F687 HydrophobicContact CD1-CB 4.25Å; L670-F724 HydrophobicContact CD1-CD1 4.27Å
671Q78.5Confident72.1Confident59 Ų5980.4 Ų80.428%0.27639%0.392SS..EExtended strand (participates in β ladder)trans-81.4113163.7-170.5179.114.200108A665 I681 C725A665-Q671 HydrophobicContact CB-CB 4.29Å; Q671-I681 HydrophobicContact CB-CG1 4.42Å; Q671-I681 HydrophobicContact CG-CG1 4.28Å; Q671-C725 HydrophobicContact CB-CB 4.39Å; Q671-C725 PolarHBondContact N-O 3.04Å; Q671-C725 PolarHBondContact O-N 2.92Å
672I78.2Confident73.1Confident4 Ų472.1 Ų72.12%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-104.4118.9-178.5-51.2177.9000108L670 F674 S679 S680 T682 F687 P722 K723 F724L670-I672 HydrophobicContact CB-CG1 4.21Å; L670-I672 PolarHBondContact O-N 2.98Å; I672-F674 HydrophobicContact CB-CE1 4.32Å; I672-F674 HydrophobicContact CB-CE2 4.18Å; I672-F674 HydrophobicContact CB-CZ 3.9Å; I672-F674 HydrophobicContact CD1-CZ 4.45Å; I672-F674 HydrophobicContact CG2-CD1 3.93Å; I672-F674 HydrophobicContact CG2-CD2 4.48Å; I672-F674 HydrophobicContact CG2-CE1 3.48Å; I672-F674 VanDerWaalsContact CG2-CE1 3.48Å; I672-F674 HydrophobicContact CG2-CE2 4.08Å; I672-F674 HydrophobicContact CG2-CG 4.41Å; I672-F674 HydrophobicContact CG2-CZ 3.58Å; I672-S679 CarbonylContact O-C 3.55Å; I672-S679 VanDerWaalsContact O-CA 3.22Å; I672-S679 WeakPolarHBondContact O-CA 3.01Å; I672-S680 PolarHBondContact N-O 2.61Å; I672-S680 PolarHBondContact O-N 3.34Å; I672-T682 HydrophobicContact CD1-CG2 3.52Å; I672-T682 HydrophobicContact CG1-CG2 4.38Å; I672-F687 HydrophobicContact CD1-CD2 3.74Å; I672-F687 HydrophobicContact CD1-CE2 4.37Å; I672-F687 HydrophobicContact CD1-CG 4.4Å; I672-P722 HydrophobicContact CG2-CB 3.73Å; I672-K723 CarbonylContact C-O 3.6Å; I672-K723 WeakPolarHBondContact CA-O 3.44Å; I672-F724 HydrophobicContact CB-CE1 4.37Å; I672-F724 HydrophobicContact CD1-CD1 4.27Å; I672-F724 HydrophobicContact CD1-CE1 3.71Å; I672-F724 HydrophobicContact CG1-CD1 3.81Å; I672-F724 HydrophobicContact CG1-CE1 3.68Å; I672-F724 HydrophobicContact CG2-CD1 4.39Å; I672-F724 HydrophobicContact CG2-CE1 3.88Å; I672-F724 HydrophobicContact CG2-CZ 3.96Å
673Q78.9Confident74.2Confident89 Ų8966 Ų6642%0.41632%0.32SS..EExtended strand (participates in β ladder)trans-99110.1170.6-170.9179.429.600109.2P722 K723Q673-P722 CarbonylContact O-C 3.52Å; Q673-P722 VanDerWaalsContact O-CA 3.25Å; Q673-P722 WeakPolarHBondContact O-CA 3.34Å; Q673-P722 WeakPolarHBondContact O-CB 3.15Å; Q673-K723 HydrophobicContact CB-CB 4.28Å; Q673-K723 PolarHBondContact N-O 2.73Å; Q673-K723 PolarHBondContact O-N 3.48Å
674F76.7Confident75Confident8 Ų862.2 Ų62.24%0.03531%0.307CS..  trans-79.7163-177.5-60.1-76.2000112.1L655 I672 N676 N677 Q678 L712 P722L655-F674 HydrophobicContact CD2-CD2 3.45Å; L655-F674 VanDerWaalsContact CD2-CD2 3.45Å; L655-F674 HydrophobicContact CD2-CE2 3.27Å; L655-F674 HydrophobicContact CD2-CG 4.28Å; L655-F674 HydrophobicContact CD2-CZ 3.96Å; I672-F674 HydrophobicContact CB-CE1 4.32Å; I672-F674 HydrophobicContact CB-CE2 4.18Å; I672-F674 HydrophobicContact CB-CZ 3.9Å; I672-F674 HydrophobicContact CD1-CZ 4.45Å; I672-F674 HydrophobicContact CG2-CD1 3.93Å; I672-F674 HydrophobicContact CG2-CD2 4.48Å; I672-F674 HydrophobicContact CG2-CE1 3.48Å; I672-F674 VanDerWaalsContact CG2-CE1 3.48Å; I672-F674 HydrophobicContact CG2-CE2 4.08Å; I672-F674 HydrophobicContact CG2-CG 4.41Å; I672-F674 HydrophobicContact CG2-CZ 3.58Å; F674-N676 VanDerWaalsContact CB-OD1 3.28Å; F674-N676 WeakPolarHBondContact CB-OD1 3.44Å; F674-N676 PolarHBondContact O-N 2.86Å; F674-N676 VanDerWaalsContact O-N 3.13Å; F674-N677 PolarHBondContact O-N 3.28Å; F674-Q678 HydrophobicContact CD2-CB 4.39Å; F674-Q678 WeakPolarHBondContact CD2-O 3.39Å; F674-Q678 PolarHBondContact N-O 2.99Å; F674-L712 HydrophobicContact CB-CD1 4.45Å; F674-L712 HydrophobicContact CD1-CD1 3.39Å; F674-L712 HydrophobicContact CD1-CD2 4.45Å; F674-L712 HydrophobicContact CD1-CG 3.62Å; F674-L712 HydrophobicContact CD2-CD1 4.42Å; F674-L712 HydrophobicContact CE1-CD1 3.63Å; F674-L712 HydrophobicContact CE1-CD2 3.82Å; F674-L712 HydrophobicContact CE1-CG 3.42Å; F674-L712 VanDerWaalsContact CE1-CG 3.42Å; F674-L712 HydrophobicContact CG-CD1 3.83Å; F674-L712 HydrophobicContact CZ-CD1 4.24Å; F674-L712 HydrophobicContact CZ-CD2 4.16Å; F674-L712 HydrophobicContact CZ-CG 4.19Å; F674-P722 HydrophobicContact CD1-CB 4.29Å; F674-P722 HydrophobicContact CD1-CG 4.12Å
675H71.6Confident75.9Confident79 Ų7958.9 Ų58.937%0.36629%0.29SS..THydrogen-bonded Turntrans-62.6-20.3-178.369.776000113.8N677 C719H675-N677 VanDerWaalsContact C-N 3.26Å; H675-C719 HydrophobicContact CB-CB 4.45Å
676N71.8Confident77Confident69 Ų6958.7 Ų58.737%0.36929%0.289SS..THydrogen-bonded Turntrans-89.314.1177.565.5-4.2000112.8F674 Q678F674-N676 VanDerWaalsContact CB-OD1 3.28Å; F674-N676 WeakPolarHBondContact CB-OD1 3.44Å; F674-N676 PolarHBondContact O-N 2.86Å; F674-N676 VanDerWaalsContact O-N 3.13Å; N676-Q678 VanDerWaalsContact ND2-CD 3.28Å; N676-Q678 PolarHBondContact ND2-OE1 2.67Å; N676-Q678 PolarHBondContact O-N 3.4Å; N676-Q678 VanDerWaalsContact OD1-CB 3.26Å; N676-Q678 WeakPolarHBondContact OD1-CB 3.05Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.33Å; N676-Q678 PolarHBondContact OD1-N 3.33Å
677N70.5Confident77.7Confident136 Ų13650.3 Ų50.373%0.72726%0.258SS*.SBendtrans63.28.2-174.7-58.3-35.4000115.1F674 H675F674-N677 PolarHBondContact O-N 3.28Å; H675-N677 VanDerWaalsContact C-N 3.26Å
678Q75.9Confident78.4Confident74 Ų7443.8 Ų43.835%0.34623%0.228SC..  trans-74.3146.7167-63.9-179.7-34.400109.3L655 F674 N676L655-Q678 HydrophobicContact CD2-CB 4.37Å; F674-Q678 HydrophobicContact CD2-CB 4.39Å; F674-Q678 WeakPolarHBondContact CD2-O 3.39Å; F674-Q678 PolarHBondContact N-O 2.99Å; N676-Q678 VanDerWaalsContact ND2-CD 3.28Å; N676-Q678 PolarHBondContact ND2-OE1 2.67Å; N676-Q678 PolarHBondContact O-N 3.4Å; N676-Q678 VanDerWaalsContact OD1-CB 3.26Å; N676-Q678 WeakPolarHBondContact OD1-CB 3.05Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.33Å; N676-Q678 PolarHBondContact OD1-N 3.33Å
679S75.6Confident79.2Confident37 Ų3738.8 Ų38.826%0.25920%0.202SC..EExtended strand (participates in β ladder)trans-120.1143.8170.652.70000109.7V659 I672V659-S679 VanDerWaalsContact CG2-O 3.27Å; V659-S679 WeakPolarHBondContact CG2-O 3.16Å; I672-S679 CarbonylContact O-C 3.55Å; I672-S679 VanDerWaalsContact O-CA 3.22Å; I672-S679 WeakPolarHBondContact O-CA 3.01Å
680S79.8Confident79.7Confident6 Ų637.3 Ų37.34%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-136.1151.8171.3-1770000109.6I672I672-S680 PolarHBondContact N-O 2.61Å; I672-S680 PolarHBondContact O-N 3.34Å
681I79.8Confident80.3Confident35 Ų3536.8 Ų36.818%0.17919%0.192CC..EExtended strand (participates in β ladder)trans-108.4122.8171.6-60.6172.8000106.9V659 E663 A665 E669 L670 Q671V659-I681 HydrophobicContact CG1-CD1 3.9Å; V659-I681 HydrophobicContact CG1-CG1 4.36Å; V659-I681 HydrophobicContact CG2-CD1 4.49Å; V659-I681 HydrophobicContact CG2-CG1 4.18Å; E663-I681 HydrophobicContact CB-CD1 4.07Å; E663-I681 WeakPolarHBondContact O-CD1 3.22Å; A665-I681 HydrophobicContact CB-CG2 4.12Å; E669-I681 HydrophobicContact CB-CG2 3.87Å; E669-I681 HydrophobicContact CG-CG2 4.28Å; L670-I681 WeakPolarHBondContact O-CA 3.3Å; Q671-I681 HydrophobicContact CB-CG1 4.42Å; Q671-I681 HydrophobicContact CG-CG1 4.28Å
682T80.5Confident80.7Confident6 Ų634.6 Ų34.64%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-140.3163.4177.9-1640000111.4Y650 E669 L670 I672 F687Y650-T682 PolarHBondContact OH-OG1 3.47Å; E669-T682 CarbonylContact C-O 3.6Å; E669-T682 WeakPolarHBondContact CA-O 3.11Å; L670-T682 PolarHBondContact N-O 3.15Å; L670-T682 PolarHBondContact O-N 3.06Å; I672-T682 HydrophobicContact CD1-CG2 3.52Å; I672-T682 HydrophobicContact CG1-CG2 4.38Å; T682-F687 HydrophobicContact CG2-CB 4.45Å
683M81Confident81.4Confident52 Ų5234.4 Ų34.426%0.25618%0.18SC..EExtended strand (participates in β ladder)trans-72142.7177.1-64.3-66.8-69.800110.4N668 E669 D685 V686 F687N668-M683 HydrophobicContact CB-CE 3.96Å; E669-M683 HydrophobicContact CG-SD 3.64Å; M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 3.48Å; M683-V686 HydrophobicContact CB-CB 4.35Å; M683-V686 HydrophobicContact CB-CG2 4Å; M683-V686 WeakPolarHBondContact O-CB 3.38Å; M683-V686 PolarHBondContact O-N 2.72Å; M683-F687 PolarHBondContact O-N 3.47Å
684A80.3Confident81.9Confident28 Ų2830.1 Ų30.123%0.23116%0.16CC..Hα-helixtrans-55.6-41.4176.400000112.6N668 L670 V686 F687 D688N668-A684 PolarHBondContact O-N 3.19Å; L670-A684 HydrophobicContact CD1-CB 3.85Å; L670-A684 HydrophobicContact CG-CB 4.03Å; A684-V686 VanDerWaalsContact C-N 3.28Å; A684-V686 PolarHBondContact O-N 2.75Å; A684-F687 PolarHBondContact O-N 3.05Å; A684-D688 PolarHBondContact O-N 3.46Å
685D85.2Confident82.3Confident36 Ų3629.9 Ų29.919%0.19316%0.159CC..Hα-helixtrans-57.6-39.5176-76.9-39.5000112.4A611 S615 R616 M683 F689A611-D685 HydrophobicContact CB-CB 4.4Å; S615-D685 PolarHBondContact OG-OD1 3.25Å; R616-D685 IonicContact NH2-OD2 2.71Å; M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 3.48Å; D685-F689 VanDerWaalsContact O-CB 3.27Å; D685-F689 WeakPolarHBondContact O-CB 3.42Å; D685-F689 PolarHBondContact O-N 2.59Å
686V88.3Confident83Confident1 Ų126.7 Ų26.71%0.00614%0.144CC..Hα-helixtrans-67.8-43.3-180171.50000110.6K608 A611 F647 Y650 M683 A684 T690K608-V686 HydrophobicContact CB-CG2 4.46Å; K608-V686 HydrophobicContact CG-CG2 3.97Å; A611-V686 HydrophobicContact CB-CB 4.18Å; A611-V686 HydrophobicContact CB-CG2 3.66Å; F647-V686 HydrophobicContact CD1-CG1 4.34Å; F647-V686 HydrophobicContact CE1-CG1 4.09Å; Y650-V686 HydrophobicContact CD1-CG1 4.04Å; Y650-V686 HydrophobicContact CE1-CG1 3.48Å; Y650-V686 VanDerWaalsContact CE1-CG1 3.48Å; M683-V686 HydrophobicContact CB-CB 4.35Å; M683-V686 HydrophobicContact CB-CG2 4Å; M683-V686 WeakPolarHBondContact O-CB 3.38Å; M683-V686 PolarHBondContact O-N 2.72Å; A684-V686 VanDerWaalsContact C-N 3.28Å; A684-V686 PolarHBondContact O-N 2.75Å; V686-T690 WeakPolarHBondContact O-CB 3.35Å; V686-T690 PolarHBondContact O-N 3.21Å; V686-T690 PolarHBondContact O-OG1 3.16Å
687F84Confident83.6Confident11 Ų1127.8 Ų27.85%0.04815%0.147CC..Hα-helixtrans-62.4-50.7175.7178.8-96.2000111.6L670 I672 T682 M683 A684 F689 T690 A691 I713 F724 F735L670-F687 HydrophobicContact CD1-CB 4.25Å; I672-F687 HydrophobicContact CD1-CD2 3.74Å; I672-F687 HydrophobicContact CD1-CE2 4.37Å; I672-F687 HydrophobicContact CD1-CG 4.4Å; T682-F687 HydrophobicContact CG2-CB 4.45Å; M683-F687 PolarHBondContact O-N 3.47Å; A684-F687 PolarHBondContact O-N 3.05Å; F687-F689 VanDerWaalsContact C-N 3.33Å; F687-F689 PolarHBondContact O-N 3.34Å; F687-T690 PolarHBondContact O-N 2.82Å; F687-A691 WeakPolarHBondContact O-CB 3.31Å; F687-A691 PolarHBondContact O-N 3.05Å; F687-I713 HydrophobicContact CE2-CB 4.47Å; F687-I713 HydrophobicContact CE2-CD1 4.28Å; F687-I713 HydrophobicContact CE2-CG1 4.1Å; F687-I713 HydrophobicContact CE2-CG2 3.78Å; F687-I713 HydrophobicContact CZ-CG2 3.78Å; F687-F724 HydrophobicContact CD1-CE1 4.2Å; F687-F724 AromaticContact CD2-CE1 3.71Å; F687-F724 HydrophobicContact CD2-CE1 3.71Å; F687-F724 HydrophobicContact CD2-CZ 4.22Å; F687-F724 AromaticContact CE1-CE1 3.88Å; F687-F724 HydrophobicContact CE1-CE1 3.88Å; F687-F724 HydrophobicContact CE1-CZ 4.13Å; F687-F724 AromaticContact CE2-CE1 3.35Å; F687-F724 HydrophobicContact CE2-CE1 3.35Å; F687-F724 AromaticContact CE2-CZ 3.39Å; F687-F724 HydrophobicContact CE2-CZ 3.39Å; F687-F724 HydrophobicContact CG-CE1 4.12Å; F687-F724 AromaticContact CZ-CE1 3.44Å; F687-F724 HydrophobicContact CZ-CE1 3.44Å; F687-F724 VanDerWaalsContact CZ-CE1 3.44Å; F687-F724 HydrophobicContact CZ-CE2 4.41Å; F687-F724 AromaticContact CZ-CZ 3.33Å; F687-F724 HydrophobicContact CZ-CZ 3.33Å; F687-F735 VanDerWaalsContact CE1-O 3.31Å; F687-F735 WeakPolarHBondContact CE1-O 3.01Å; F687-F735 HydrophobicContact CZ-CD2 4.16Å; F687-F735 AromaticContact CZ-CE2 3.74Å; F687-F735 HydrophobicContact CZ-CE2 3.74Å; F687-F735 HydrophobicContact CZ-CZ 4.5Å
688D83.6Confident84.4Confident39 Ų3922.8 Ų22.821%0.20912%0.122CC..Hα-helixtrans-60-43.4-178.9-88.712.1000111.8A684 A691 Y692 S737A684-D688 PolarHBondContact O-N 3.46Å; D688-A691 PolarHBondContact O-N 2.99Å; D688-Y692 WeakPolarHBondContact O-CB 3.24Å; D688-Y692 PolarHBondContact O-N 3.42Å; D688-S737 VanDerWaalsContact OD2-CB 3.28Å; D688-S737 WeakPolarHBondContact OD2-CB 3.13Å; D688-S737 PolarHBondContact OD2-OG 3.43Å
689F89.3Confident85Confident1 Ų120 Ų200%0.00411%0.111CC..Hα-helixtrans-66.2-42.6176.8-174.3-97.3000112.1A611 L614 L621 L643 F647 D685 F687 A691 Y692 L693A611-F689 HydrophobicContact CB-CB 3.9Å; A611-F689 HydrophobicContact CB-CG 4.34Å; L614-F689 HydrophobicContact CB-CD2 3.85Å; L614-F689 HydrophobicContact CB-CE2 3.49Å; L614-F689 VanDerWaalsContact CB-CE2 3.49Å; L614-F689 HydrophobicContact CB-CZ 4.44Å; L614-F689 HydrophobicContact CD1-CE2 3.48Å; L614-F689 VanDerWaalsContact CD1-CE2 3.48Å; L614-F689 HydrophobicContact CD1-CZ 3.62Å; L614-F689 HydrophobicContact CG-CE2 4.13Å; L621-F689 HydrophobicContact CD1-CD2 4.36Å; L621-F689 HydrophobicContact CD1-CE2 3.57Å; L621-F689 HydrophobicContact CD1-CZ 4.39Å; L621-F689 HydrophobicContact CD2-CD2 4.18Å; L621-F689 HydrophobicContact CD2-CE2 4.21Å; L643-F689 HydrophobicContact CD1-CZ 4.24Å; L643-F689 HydrophobicContact CD2-CE1 4.29Å; L643-F689 HydrophobicContact CD2-CZ 4.3Å; F647-F689 HydrophobicContact CD1-CD1 4.36Å; F647-F689 HydrophobicContact CD2-CD1 4.21Å; F647-F689 HydrophobicContact CD2-CE1 4.01Å; F647-F689 AromaticContact CE1-CD1 3.68Å; F647-F689 HydrophobicContact CE1-CD1 3.68Å; F647-F689 HydrophobicContact CE1-CE1 4.33Å; F647-F689 AromaticContact CE2-CD1 3.53Å; F647-F689 HydrophobicContact CE2-CD1 3.53Å; F647-F689 AromaticContact CE2-CE1 3.3Å; F647-F689 HydrophobicContact CE2-CE1 3.3Å; F647-F689 AromaticContact CZ-CD1 3.22Å; F647-F689 HydrophobicContact CZ-CD1 3.22Å; F647-F689 AromaticContact CZ-CE1 3.5Å; F647-F689 HydrophobicContact CZ-CE1 3.5Å; F647-F689 VanDerWaalsContact CZ-CE1 3.5Å; F647-F689 HydrophobicContact CZ-CG 4.3Å; D685-F689 VanDerWaalsContact O-CB 3.27Å; D685-F689 WeakPolarHBondContact O-CB 3.42Å; D685-F689 PolarHBondContact O-N 2.59Å; F687-F689 VanDerWaalsContact C-N 3.33Å; F687-F689 PolarHBondContact O-N 3.34Å; F689-A691 VanDerWaalsContact C-N 3.32Å; F689-A691 PolarHBondContact O-N 2.78Å; F689-Y692 WeakPolarHBondContact O-CB 3.43Å; F689-Y692 PolarHBondContact O-N 2.73Å; F689-Y692 VanDerWaalsContact O-N 3.15Å; F689-L693 HydrophobicContact CD1-CD1 4.48Å; F689-L693 HydrophobicContact CD1-CG 4.46Å; F689-L693 HydrophobicContact CE1-CD1 4.15Å; F689-L693 HydrophobicContact CE1-CD2 4Å; F689-L693 HydrophobicContact CE1-CG 4.17Å; F689-L693 HydrophobicContact CZ-CD2 4.1Å; F689-L693 WeakPolarHBondContact O-CG 3.43Å; F689-L693 PolarHBondContact O-N 2.65Å; F689-L693 VanDerWaalsContact O-N 3.11Å
690T89.6Confident85.6Confident2 Ų225 Ų251%0.01214%0.139CC..Hα-helixtrans-64.3-40.8178.6-52.80000111.4F647 L651 V686 F687 Y692 L693 I709 I713F647-T690 HydrophobicContact CB-CG2 4.23Å; F647-T690 WeakPolarHBondContact CD1-OG1 2.92Å; L651-T690 HydrophobicContact CD1-CG2 3.83Å; V686-T690 WeakPolarHBondContact O-CB 3.35Å; V686-T690 PolarHBondContact O-N 3.21Å; V686-T690 PolarHBondContact O-OG1 3.16Å; F687-T690 PolarHBondContact O-N 2.82Å; T690-Y692 VanDerWaalsContact C-N 3.32Å; T690-L693 WeakPolarHBondContact O-CB 2.85Å; T690-L693 PolarHBondContact O-N 2.82Å; T690-I709 HydrophobicContact CG2-CD1 4.2Å; T690-I709 HydrophobicContact CG2-CG1 4.42Å; T690-I709 HydrophobicContact CG2-CG2 3.43Å; T690-I709 VanDerWaalsContact CG2-CG2 3.43Å; T690-I713 HydrophobicContact CG2-CD1 3.72Å
691A87Confident86Confident0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-65.2-37.5174.400000111.3F687 D688 F689 L693 L694 I713 L740 F744F687-A691 WeakPolarHBondContact O-CB 3.31Å; F687-A691 PolarHBondContact O-N 3.05Å; D688-A691 PolarHBondContact O-N 2.99Å; F689-A691 VanDerWaalsContact C-N 3.32Å; F689-A691 PolarHBondContact O-N 2.78Å; A691-L693 VanDerWaalsContact C-N 3.28Å; A691-L693 PolarHBondContact O-N 3.15Å; A691-L694 WeakPolarHBondContact O-CB 3.06Å; A691-L694 PolarHBondContact O-N 2.55Å; A691-I713 HydrophobicContact CB-CD1 4.45Å; A691-L740 HydrophobicContact CB-CD1 4.23Å; A691-L740 HydrophobicContact CB-CD2 3.56Å; A691-L740 HydrophobicContact CB-CG 4.43Å; A691-F744 HydrophobicContact CB-CE1 4.44Å; A691-F744 HydrophobicContact CB-CZ 3.91Å; A691-F744 VanDerWaalsContact O-CE1 3.29Å; A691-F744 WeakPolarHBondContact O-CE1 3.1Å; A691-F744 WeakPolarHBondContact O-CZ 3.33Å
692Y87.8Confident86.5Confident13 Ų1329.5 Ų29.55%0.05116%0.159CC..Hα-helixtrans-58.3-38.8173.3-179.7-80.5000112.3L621 I622 I625 D688 F689 T690 L694 I695 V743L621-Y692 HydrophobicContact CD1-CD1 3.97Å; L621-Y692 HydrophobicContact CD1-CE1 3.72Å; L621-Y692 HydrophobicContact CD2-CD1 3.56Å; L621-Y692 HydrophobicContact CD2-CD2 3.64Å; L621-Y692 HydrophobicContact CD2-CE1 3.72Å; L621-Y692 HydrophobicContact CD2-CE2 3.75Å; L621-Y692 HydrophobicContact CD2-CG 3.56Å; L621-Y692 HydrophobicContact CG-CD1 3.74Å; L621-Y692 HydrophobicContact CG-CD2 4.27Å; L621-Y692 HydrophobicContact CG-CE1 3.38Å; L621-Y692 HydrophobicContact CG-CE2 3.91Å; L621-Y692 HydrophobicContact CG-CG 4.21Å; L621-Y692 VanDerWaalsContact CG-CZ 3.49Å; L621-Y692 PolarHBondContact O-OH 3.29Å; I622-Y692 VanDerWaalsContact CA-OH 3.32Å; I622-Y692 WeakPolarHBondContact CA-OH 2.84Å; I622-Y692 PolarHBondContact N-OH 3.31Å; I625-Y692 HydrophobicContact CB-CE1 4.2Å; I625-Y692 PolarHBondContact O-OH 3.22Å; D688-Y692 WeakPolarHBondContact O-CB 3.24Å; D688-Y692 PolarHBondContact O-N 3.42Å; F689-Y692 WeakPolarHBondContact O-CB 3.43Å; F689-Y692 PolarHBondContact O-N 2.73Å; F689-Y692 VanDerWaalsContact O-N 3.15Å; T690-Y692 VanDerWaalsContact C-N 3.32Å; Y692-L694 PolarHBondContact O-N 3.37Å; Y692-I695 HydrophobicContact CD2-CD1 3.44Å; Y692-I695 VanDerWaalsContact CD2-CD1 3.44Å; Y692-I695 HydrophobicContact CE2-CD1 3.82Å; Y692-I695 HydrophobicContact CG-CD1 3.87Å; Y692-I695 VanDerWaalsContact O-CB 3.28Å; Y692-I695 WeakPolarHBondContact O-CB 3.3Å; Y692-I695 WeakPolarHBondContact O-CD1 3.48Å; Y692-I695 VanDerWaalsContact O-CG1 3.25Å; Y692-I695 WeakPolarHBondContact O-CG1 3.2Å; Y692-I695 PolarHBondContact O-N 3.36Å; Y692-V743 HydrophobicContact CE2-CG1 4.03Å
693L91.2Very high87.1Confident0 Ų035.6 Ų35.60%018%0.183CC..THydrogen-bonded Turntrans-59.8-20.1176.7-60.9179.4000113.2I625 H640 L643 L644 F647 F689 T690 A691 I695I625-L693 HydrophobicContact CD1-CD2 3.47Å; I625-L693 VanDerWaalsContact CD1-CD2 3.47Å; H640-L693 PolarHBondContact NE2-O 3.33Å; L643-L693 HydrophobicContact CB-CD1 4Å; L643-L693 HydrophobicContact CB-CD2 3.93Å; L643-L693 HydrophobicContact CD1-CD2 4.1Å; L644-L693 HydrophobicContact CD2-CB 4.04Å; L644-L693 HydrophobicContact CD2-CD1 4.48Å; F647-L693 HydrophobicContact CB-CD1 4.24Å; F647-L693 HydrophobicContact CD2-CD1 4.02Å; F647-L693 HydrophobicContact CG-CD1 4.2Å; F689-L693 HydrophobicContact CD1-CD1 4.48Å; F689-L693 HydrophobicContact CD1-CG 4.46Å; F689-L693 HydrophobicContact CE1-CD1 4.15Å; F689-L693 HydrophobicContact CE1-CD2 4Å; F689-L693 HydrophobicContact CE1-CG 4.17Å; F689-L693 HydrophobicContact CZ-CD2 4.1Å; F689-L693 WeakPolarHBondContact O-CG 3.43Å; F689-L693 PolarHBondContact O-N 2.65Å; F689-L693 VanDerWaalsContact O-N 3.11Å; T690-L693 WeakPolarHBondContact O-CB 2.85Å; T690-L693 PolarHBondContact O-N 2.82Å; A691-L693 VanDerWaalsContact C-N 3.28Å; A691-L693 PolarHBondContact O-N 3.15Å; L693-I695 VanDerWaalsContact C-N 3.33Å
694L89.9Confident87.7Confident0 Ų036.5 Ų36.50%020%0.198CC..THydrogen-bonded Turntrans-79.3-16.1179-60.1179.2000113.7A691 Y692 R696 Y706 I709 F710 I713 L714 L752A691-L694 WeakPolarHBondContact O-CB 3.06Å; A691-L694 PolarHBondContact O-N 2.55Å; Y692-L694 PolarHBondContact O-N 3.37Å; L694-R696 VanDerWaalsContact C-N 3.3Å; L694-R696 PolarHBondContact O-N 3.5Å; L694-Y706 HydrophobicContact CB-CE2 4.24Å; L694-Y706 HydrophobicContact CD2-CD2 3.9Å; L694-Y706 HydrophobicContact CD2-CE1 4.36Å; L694-Y706 HydrophobicContact CD2-CE2 3.7Å; L694-Y706 HydrophobicContact CD2-CG 4.33Å; L694-Y706 PolarHBondContact O-OH 3.46Å; L694-I709 HydrophobicContact CD1-CG2 4.17Å; L694-I709 HydrophobicContact CD2-CB 4.12Å; L694-I709 HydrophobicContact CD2-CG2 3.75Å; L694-I709 HydrophobicContact CG-CG2 4.08Å; L694-F710 HydrophobicContact CD1-CB 4.46Å; L694-F710 HydrophobicContact CD1-CD2 4.32Å; L694-F710 HydrophobicContact CD2-CB 4.08Å; L694-I713 HydrophobicContact CD1-CB 4.35Å; L694-I713 HydrophobicContact CD1-CD1 4.39Å; L694-L714 HydrophobicContact CD1-CD1 4.05Å; L694-L752 VanDerWaalsContact C-CD1 3.45Å; L694-L752 HydrophobicContact CB-CD1 3.62Å; L694-L752 WeakPolarHBondContact O-CD1 3.22Å
695I85.6Confident88.5Confident2 Ų236.3 Ų36.31%0.0119%0.193CC..SBendtrans-64.9-35.8-175.1-64.2169.3000111.6Y627 Y692 L693 L740 V743 F744 S747Y627-I695 VanDerWaalsContact CB-CG2 3.42Å; Y692-I695 HydrophobicContact CD2-CD1 3.44Å; Y692-I695 VanDerWaalsContact CD2-CD1 3.44Å; Y692-I695 HydrophobicContact CE2-CD1 3.82Å; Y692-I695 HydrophobicContact CG-CD1 3.87Å; Y692-I695 VanDerWaalsContact O-CB 3.28Å; Y692-I695 WeakPolarHBondContact O-CB 3.3Å; Y692-I695 WeakPolarHBondContact O-CD1 3.48Å; Y692-I695 VanDerWaalsContact O-CG1 3.25Å; Y692-I695 WeakPolarHBondContact O-CG1 3.2Å; Y692-I695 PolarHBondContact O-N 3.36Å; L693-I695 VanDerWaalsContact C-N 3.33Å; I695-L740 HydrophobicContact CD1-CD1 4.49Å; I695-V743 HydrophobicContact CD1-CB 3.77Å; I695-V743 HydrophobicContact CD1-CG1 3.54Å; I695-V743 HydrophobicContact CG2-CG1 4.28Å; I695-F744 HydrophobicContact CD1-CD1 3.67Å; I695-F744 HydrophobicContact CD1-CE1 3.77Å; I695-F744 HydrophobicContact CG1-CD1 3.45Å; I695-F744 VanDerWaalsContact CG1-CD1 3.45Å; I695-F744 HydrophobicContact CG1-CE1 3.44Å; I695-F744 VanDerWaalsContact CG1-CE1 3.44Å; I695-S747 PolarHBondContact O-OG 3.05Å
696R86Confident88.9Confident13 Ų1335 Ų355%0.04919%0.186CC..SBendtrans-89136.4175.4-175-176.1176.888.9-1109.3I625 P626 R628 H640 L694 Y706I625-R696 HydrophobicContact CG2-CB 4.16Å; P626-R696 PolarHBondContact O-NH1 2.89Å; R628-R696 PolarHBondContact O-NH1 2.75Å; H640-R696 PolarHBondContact CE1-O 2.73Å; L694-R696 VanDerWaalsContact C-N 3.3Å; L694-R696 PolarHBondContact O-N 3.5Å; R696-Y706 WeakPolarHBondContact O-CE2 3.32Å
697E84.1Confident89.1Confident92 Ų9236 Ų3643%0.4319%0.191SC..PPolyproline II helixtrans-60.3136.9171.8-75.7170.2-146.400111.1S748 N749E697-S748 PolarHBondContact OE1-OG 3.45Å; E697-N749 HydrophobicContact CG-CB 4.44Å
698P88Confident89.5Confident31 Ų3137.8 Ų37.820%0.20120%0.199CC..PPolyproline II helixtrans-72.9153.1-178.732.7-36.7000111Y703 Y706P698-Y703 HydrophobicContact CG-CD2 3.84Å; P698-Y706 HydrophobicContact CB-CD1 4.23Å; P698-Y706 HydrophobicContact CB-CD2 3.64Å; P698-Y706 HydrophobicContact CB-CE2 4.42Å; P698-Y706 HydrophobicContact CB-CG 3.53Å; P698-Y706 HydrophobicContact CG-CD1 3.65Å; P698-Y706 HydrophobicContact CG-CD2 3.82Å; P698-Y706 HydrophobicContact CG-CE1 4.16Å; P698-Y706 HydrophobicContact CG-CE2 4.27Å; P698-Y706 HydrophobicContact CG-CG 3.48Å; P698-Y706 VanDerWaalsContact CG-CG 3.48Å
699S88Confident89.9Confident15 Ų1536 Ų3611%0.10519%0.189CC..PPolyproline II helixtrans-77.2171.316498.70000111.6E637 N641 E701 G702 Y703E637-S699 VanDerWaalsContact CG-CB 3.44Å; E637-S699 WeakPolarHBondContact OE1-CB 3.44Å; E637-S699 PolarHBondContact OE1-OG 3.2Å; N641-S699 PolarHBondContact ND2-OG 2.98Å; N641-S699 PolarHBondContact OD1-OG 3.33Å; S699-E701 PolarHBondContact O-N 2.78Å; S699-E701 PolarHBondContact OG-N 3.01Å; S699-G702 PolarHBondContact O-N 2.86Å; S699-G702 VanDerWaalsContact O-N 3.16Å; S699-Y703 PolarHBondContact O-N 2.98Å
700V87.8Confident89.9Confident141 Ų14136.5 Ų36.586%0.85519%0.191SC*.THydrogen-bonded Turntrans-56.4-40.8179.7-179.80000111Y703V700-Y703 WeakPolarHBondContact O-CB 3.42Å
701E88Confident89.7Confident135 Ų13537.9 Ų37.963%0.63120%0.201SC*.THydrogen-bonded Turntrans-70.7-39.6178.9-62.7178.6172.400112S699 Y703S699-E701 PolarHBondContact O-N 2.78Å; S699-E701 PolarHBondContact OG-N 3.01Å; E701-Y703 VanDerWaalsContact C-N 3.32Å; E701-Y703 PolarHBondContact O-N 3.39Å
702G91.2Very high89.5Confident2 Ų238.2 Ų38.22%0.02120%0.203CC..THydrogen-bonded Turntrans-76.8-14.3178.900000114.6N641 S699 A704 N705 Y706N641-G702 VanDerWaalsContact OD1-CA 3.3Å; N641-G702 WeakPolarHBondContact OD1-CA 3.37Å; N641-G702 PolarHBondContact OD1-N 3.44Å; S699-G702 PolarHBondContact O-N 2.86Å; S699-G702 VanDerWaalsContact O-N 3.16Å; G702-A704 VanDerWaalsContact C-N 3.32Å; G702-A704 PolarHBondContact O-N 3.46Å; G702-N705 PolarHBondContact O-N 3.19Å; G702-Y706 WeakPolarHBondContact O-CB 3.11Å; G702-Y706 PolarHBondContact O-N 2.89Å
703Y92.6Very high89.2Confident134 Ų13437.8 Ų37.853%0.52520%0.202SC..Hα-helixtrans-57.5-39.5-168.8-174.4-109.6000113.5P698 S699 V700 E701 N707P698-Y703 HydrophobicContact CG-CD2 3.84Å; S699-Y703 PolarHBondContact O-N 2.98Å; V700-Y703 WeakPolarHBondContact O-CB 3.42Å; E701-Y703 VanDerWaalsContact C-N 3.32Å; E701-Y703 PolarHBondContact O-N 3.39Å; Y703-N707 WeakPolarHBondContact CD1-ND2 3.26Å; Y703-N707 VanDerWaalsContact CD2-ND2 3.32Å; Y703-N707 WeakPolarHBondContact CD2-ND2 3.31Å; Y703-N707 WeakPolarHBondContact CE1-ND2 3.49Å; Y703-N707 WeakPolarHBondContact CE2-ND2 3.5Å; Y703-N707 VanDerWaalsContact CG-ND2 3.31Å; Y703-N707 VanDerWaalsContact O-CB 3.29Å; Y703-N707 WeakPolarHBondContact O-CB 3.35Å; Y703-N707 PolarHBondContact O-N 3.34Å; Y703-N707 PolarHBondContact O-ND2 2.84Å
704A95Very high88.6Confident70 Ų7037.8 Ų37.858%0.57920%0.202SC*.Hα-helixtrans-64.8-47.8-179.800000112G702 N707 F708G702-A704 VanDerWaalsContact C-N 3.32Å; G702-A704 PolarHBondContact O-N 3.46Å; A704-N707 PolarHBondContact O-N 3.42Å; A704-F708 PolarHBondContact O-N 3.36Å
705N95.9Very high87.8Confident24 Ų2437.8 Ų37.813%0.12820%0.202CC..Hα-helixtrans-68.7-41178-76.2-27.4000111.4L644 D645 A648 R652 G702 N707 F708 I709L644-N705 HydrophobicContact CB-CB 4.12Å; D645-N705 VanDerWaalsContact CA-ND2 3.32Å; D645-N705 WeakPolarHBondContact CA-ND2 3.2Å; D645-N705 WeakPolarHBondContact CB-ND2 3.36Å; D645-N705 PolarHBondContact OD1-ND2 2.91Å; A648-N705 HydrophobicContact CB-CB 3.9Å; A648-N705 WeakPolarHBondContact CB-OD1 3.45Å; R652-N705 PolarHBondContact NH1-OD1 3.47Å; R652-N705 PolarHBondContact NH2-OD1 2.96Å; G702-N705 PolarHBondContact O-N 3.19Å; N705-N707 PolarHBondContact O-N 2.96Å; N705-F708 PolarHBondContact O-N 3.41Å; N705-I709 WeakPolarHBondContact O-CG1 3.19Å; N705-I709 PolarHBondContact O-N 2.89Å
706Y94.3Very high87Confident8 Ų841.7 Ų41.73%0.03122%0.219CC..Hα-helixtrans-56-49.5172.2-177.1-84.2000112L644 L694 R696 P698 G702 F708 I709 F710 N749L644-Y706 HydrophobicContact CD1-CD2 4.34Å; L644-Y706 HydrophobicContact CD2-CD2 4.18Å; L694-Y706 HydrophobicContact CB-CE2 4.24Å; L694-Y706 HydrophobicContact CD2-CD2 3.9Å; L694-Y706 HydrophobicContact CD2-CE1 4.36Å; L694-Y706 HydrophobicContact CD2-CE2 3.7Å; L694-Y706 HydrophobicContact CD2-CG 4.33Å; L694-Y706 PolarHBondContact O-OH 3.46Å; R696-Y706 WeakPolarHBondContact O-CE2 3.32Å; P698-Y706 HydrophobicContact CB-CD1 4.23Å; P698-Y706 HydrophobicContact CB-CD2 3.64Å; P698-Y706 HydrophobicContact CB-CE2 4.42Å; P698-Y706 HydrophobicContact CB-CG 3.53Å; P698-Y706 HydrophobicContact CG-CD1 3.65Å; P698-Y706 HydrophobicContact CG-CD2 3.82Å; P698-Y706 HydrophobicContact CG-CE1 4.16Å; P698-Y706 HydrophobicContact CG-CE2 4.27Å; P698-Y706 HydrophobicContact CG-CG 3.48Å; P698-Y706 VanDerWaalsContact CG-CG 3.48Å; G702-Y706 WeakPolarHBondContact O-CB 3.11Å; G702-Y706 PolarHBondContact O-N 2.89Å; Y706-F708 VanDerWaalsContact C-N 3.32Å; Y706-F708 PolarHBondContact O-N 2.86Å; Y706-I709 PolarHBondContact O-N 3.17Å; Y706-F710 HydrophobicContact CD1-CB 4.34Å; Y706-F710 HydrophobicContact CE1-CB 4.14Å; Y706-F710 AromaticContact CE1-CD2 3.93Å; Y706-F710 HydrophobicContact CE1-CD2 3.93Å; Y706-F710 HydrophobicContact CE1-CG 4.31Å; Y706-F710 VanDerWaalsContact O-CB 3.22Å; Y706-F710 WeakPolarHBondContact O-CB 3.42Å; Y706-F710 PolarHBondContact O-N 3.47Å; Y706-N749 PolarHBondContact OH-ND2 2.99Å
707N92Very high85.8Confident24 Ų2448.1 Ų48.113%0.12825%0.254CS..Hα-helixtrans-63.7-38.5-179.6-87.3-65.4000113.1Y703 A704 N705 S711 K716Y703-N707 WeakPolarHBondContact CD1-ND2 3.26Å; Y703-N707 VanDerWaalsContact CD2-ND2 3.32Å; Y703-N707 WeakPolarHBondContact CD2-ND2 3.31Å; Y703-N707 WeakPolarHBondContact CE1-ND2 3.49Å; Y703-N707 WeakPolarHBondContact CE2-ND2 3.5Å; Y703-N707 VanDerWaalsContact CG-ND2 3.31Å; Y703-N707 VanDerWaalsContact O-CB 3.29Å; Y703-N707 WeakPolarHBondContact O-CB 3.35Å; Y703-N707 PolarHBondContact O-N 3.34Å; Y703-N707 PolarHBondContact O-ND2 2.84Å; A704-N707 PolarHBondContact O-N 3.42Å; N705-N707 PolarHBondContact O-N 2.96Å; N707-S711 WeakPolarHBondContact O-CB 3.18Å; N707-S711 PolarHBondContact O-N 3.37Å; N707-S711 PolarHBondContact O-OG 3.01Å; N707-S711 VanDerWaalsContact O-OG 3.08Å; N707-K716 WeakPolarHBondContact OD1-CE 3.32Å; N707-K716 PolarHBondContact OD1-NZ 3.25Å
708F92.2Very high84.7Confident48 Ų4853 Ų5321%0.21128%0.277CS..Hα-helixtrans-59.3-54.1174.9168-105.8000110A648 L651 R652 L655 A704 N705 Y706 F710 S711 L712A648-F708 HydrophobicContact CB-CD1 3.86Å; A648-F708 HydrophobicContact CB-CE1 4.27Å; L651-F708 HydrophobicContact CB-CE1 3.93Å; L651-F708 HydrophobicContact CB-CZ 4.36Å; R652-F708 HydrophobicContact CG-CE1 3.72Å; R652-F708 HydrophobicContact CG-CE2 4.07Å; R652-F708 HydrophobicContact CG-CZ 3.44Å; R652-F708 VanDerWaalsContact CG-CZ 3.44Å; L655-F708 HydrophobicContact CD1-CE2 4.46Å; L655-F708 HydrophobicContact CD1-CZ 3.98Å; A704-F708 PolarHBondContact O-N 3.36Å; N705-F708 PolarHBondContact O-N 3.41Å; Y706-F708 VanDerWaalsContact C-N 3.32Å; Y706-F708 PolarHBondContact O-N 2.86Å; F708-F710 PolarHBondContact O-N 3Å; F708-S711 PolarHBondContact O-N 3.38Å; F708-S711 PolarHBondContact O-OG 3.48Å; F708-L712 WeakPolarHBondContact O-CB 3.46Å; F708-L712 PolarHBondContact O-N 3.29Å
709I91.8Very high83.5Confident0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-60.2-46.8179.1-64.7172.3000111L644 F647 A648 L651 T690 L694 N705 Y706 S711 L712 I713L644-I709 HydrophobicContact CD2-CD1 3.9Å; F647-I709 HydrophobicContact CB-CD1 4.41Å; A648-I709 HydrophobicContact CB-CD1 4.22Å; A648-I709 HydrophobicContact CB-CG1 4.29Å; L651-I709 HydrophobicContact CD1-CG1 4.12Å; T690-I709 HydrophobicContact CG2-CD1 4.2Å; T690-I709 HydrophobicContact CG2-CG1 4.42Å; T690-I709 HydrophobicContact CG2-CG2 3.43Å; T690-I709 VanDerWaalsContact CG2-CG2 3.43Å; L694-I709 HydrophobicContact CD1-CG2 4.17Å; L694-I709 HydrophobicContact CD2-CB 4.12Å; L694-I709 HydrophobicContact CD2-CG2 3.75Å; L694-I709 HydrophobicContact CG-CG2 4.08Å; N705-I709 WeakPolarHBondContact O-CG1 3.19Å; N705-I709 PolarHBondContact O-N 2.89Å; Y706-I709 PolarHBondContact O-N 3.17Å; I709-S711 PolarHBondContact O-N 3.35Å; I709-L712 PolarHBondContact O-N 2.92Å; I709-I713 HydrophobicContact CG2-CD1 3.63Å; I709-I713 HydrophobicContact CG2-CG1 4.29Å; I709-I713 WeakPolarHBondContact O-CB 3.32Å; I709-I713 WeakPolarHBondContact O-CG1 3.41Å; I709-I713 PolarHBondContact O-N 2.85Å
710F89.4Confident82.4Confident12 Ų1261.9 Ų61.95%0.05332%0.316CS..Hα-helixtrans-58.6-47.2178.4-173.6-79.5000111.5L694 Y706 F708 L712 I713 L714 G715 I751 L752 R755L694-F710 HydrophobicContact CD1-CB 4.46Å; L694-F710 HydrophobicContact CD1-CD2 4.32Å; L694-F710 HydrophobicContact CD2-CB 4.08Å; Y706-F710 HydrophobicContact CD1-CB 4.34Å; Y706-F710 HydrophobicContact CE1-CB 4.14Å; Y706-F710 AromaticContact CE1-CD2 3.93Å; Y706-F710 HydrophobicContact CE1-CD2 3.93Å; Y706-F710 HydrophobicContact CE1-CG 4.31Å; Y706-F710 VanDerWaalsContact O-CB 3.22Å; Y706-F710 WeakPolarHBondContact O-CB 3.42Å; Y706-F710 PolarHBondContact O-N 3.47Å; F708-F710 PolarHBondContact O-N 3Å; F710-L712 VanDerWaalsContact C-N 3.25Å; F710-L712 PolarHBondContact O-N 3.4Å; F710-I713 PolarHBondContact O-N 3.15Å; F710-L714 HydrophobicContact CD2-CD1 3.82Å; F710-L714 HydrophobicContact CE1-CB 4.22Å; F710-L714 HydrophobicContact CE2-CD1 3.46Å; F710-L714 VanDerWaalsContact CE2-CD1 3.46Å; F710-L714 HydrophobicContact CZ-CB 4.19Å; F710-L714 HydrophobicContact CZ-CD1 3.88Å; F710-L714 PolarHBondContact O-N 3.38Å; F710-G715 PolarHBondContact O-N 3.42Å; F710-I751 HydrophobicContact CE1-CG2 4.2Å; F710-I751 HydrophobicContact CZ-CB 4.28Å; F710-I751 HydrophobicContact CZ-CG2 3.62Å; F710-L752 HydrophobicContact CE2-CB 4.24Å; F710-R755 HydrophobicContact CZ-CG 4.36Å
711S85.7Confident81.6Confident32 Ų3257 Ų5722%0.22429%0.285CS..Hα-helixtrans-63.4-34.5179.368.80000112.3N707 F708 I709 G715N707-S711 WeakPolarHBondContact O-CB 3.18Å; N707-S711 PolarHBondContact O-N 3.37Å; N707-S711 PolarHBondContact O-OG 3.01Å; N707-S711 VanDerWaalsContact O-OG 3.08Å; F708-S711 PolarHBondContact O-N 3.38Å; F708-S711 PolarHBondContact O-OG 3.48Å; I709-S711 PolarHBondContact O-N 3.35Å; S711-G715 WeakPolarHBondContact O-CA 3.24Å; S711-G715 PolarHBondContact O-N 3.3Å
712L83.3Confident80.9Confident6 Ų651 Ų513%0.03126%0.257CS..Hα-helixtrans-74.1-45.7180-171.272.8000111.9L651 L655 F674 F708 I709 F710 P722L651-L712 HydrophobicContact CB-CD2 4.16Å; L651-L712 HydrophobicContact CD1-CD2 3.84Å; L651-L712 HydrophobicContact CD2-CD2 4.1Å; L651-L712 HydrophobicContact CG-CD2 4.27Å; L655-L712 HydrophobicContact CD1-CD1 3.68Å; L655-L712 HydrophobicContact CD1-CD2 3.86Å; L655-L712 HydrophobicContact CD1-CG 4.43Å; L655-L712 HydrophobicContact CD2-CD1 4.16Å; F674-L712 HydrophobicContact CB-CD1 4.45Å; F674-L712 HydrophobicContact CD1-CD1 3.39Å; F674-L712 HydrophobicContact CD1-CD2 4.45Å; F674-L712 HydrophobicContact CD1-CG 3.62Å; F674-L712 HydrophobicContact CD2-CD1 4.42Å; F674-L712 HydrophobicContact CE1-CD1 3.63Å; F674-L712 HydrophobicContact CE1-CD2 3.82Å; F674-L712 HydrophobicContact CE1-CG 3.42Å; F674-L712 VanDerWaalsContact CE1-CG 3.42Å; F674-L712 HydrophobicContact CG-CD1 3.83Å; F674-L712 HydrophobicContact CZ-CD1 4.24Å; F674-L712 HydrophobicContact CZ-CD2 4.16Å; F674-L712 HydrophobicContact CZ-CG 4.19Å; F708-L712 WeakPolarHBondContact O-CB 3.46Å; F708-L712 PolarHBondContact O-N 3.29Å; I709-L712 PolarHBondContact O-N 2.92Å; F710-L712 VanDerWaalsContact C-N 3.25Å; F710-L712 PolarHBondContact O-N 3.4Å; L712-P722 WeakPolarHBondContact O-CG 3.43Å
713I80.7Confident80Confident4 Ų457.3 Ų57.32%0.02129%0.285CS..Hα-helixtrans-83.6-43.7-173.2-64.6-178.8000112.1F687 T690 A691 L694 I709 F710 P722 F735F687-I713 HydrophobicContact CE2-CB 4.47Å; F687-I713 HydrophobicContact CE2-CD1 4.28Å; F687-I713 HydrophobicContact CE2-CG1 4.1Å; F687-I713 HydrophobicContact CE2-CG2 3.78Å; F687-I713 HydrophobicContact CZ-CG2 3.78Å; T690-I713 HydrophobicContact CG2-CD1 3.72Å; A691-I713 HydrophobicContact CB-CD1 4.45Å; L694-I713 HydrophobicContact CD1-CB 4.35Å; L694-I713 HydrophobicContact CD1-CD1 4.39Å; I709-I713 HydrophobicContact CG2-CD1 3.63Å; I709-I713 HydrophobicContact CG2-CG1 4.29Å; I709-I713 WeakPolarHBondContact O-CB 3.32Å; I709-I713 WeakPolarHBondContact O-CG1 3.41Å; I709-I713 PolarHBondContact O-N 2.85Å; F710-I713 PolarHBondContact O-N 3.15Å; I713-P722 WeakPolarHBondContact O-CD 3.16Å; I713-P722 WeakPolarHBondContact O-CG 3.38Å; I713-F735 HydrophobicContact CG2-CE2 4.12Å; I713-F735 HydrophobicContact CG2-CZ 3.91Å; I713-F735 WeakPolarHBondContact O-CE2 3.03Å; I713-F735 VanDerWaalsContact O-CZ 3.28Å; I713-F735 WeakPolarHBondContact O-CZ 3.43Å
714L79.2Confident79.1Confident0 Ų051.2 Ų51.20%026%0.261CS..THydrogen-bonded Turntrans-108.9-16.1-172.7-66.3168000113.5L694 F710 F735 L752 R755L694-L714 HydrophobicContact CD1-CD1 4.05Å; F710-L714 HydrophobicContact CD2-CD1 3.82Å; F710-L714 HydrophobicContact CE1-CB 4.22Å; F710-L714 HydrophobicContact CE2-CD1 3.46Å; F710-L714 VanDerWaalsContact CE2-CD1 3.46Å; F710-L714 HydrophobicContact CZ-CB 4.19Å; F710-L714 HydrophobicContact CZ-CD1 3.88Å; F710-L714 PolarHBondContact O-N 3.38Å; L714-F735 HydrophobicContact CD2-CE1 3.48Å; L714-F735 VanDerWaalsContact CD2-CE1 3.48Å; L714-F735 HydrophobicContact CD2-CZ 3.45Å; L714-F735 VanDerWaalsContact CD2-CZ 3.45Å; L714-F735 HydrophobicContact CG-CZ 4.38Å; L714-L752 HydrophobicContact CD1-CD1 4.47Å; L714-L752 HydrophobicContact CD1-CG 4.21Å; L714-R755 HydrophobicContact CB-CB 4.21Å; L714-R755 HydrophobicContact CB-CG 4.29Å; L714-R755 HydrophobicContact CD1-CB 4.44Å; L714-R755 HydrophobicContact CD2-CB 3.95Å; L714-R755 HydrophobicContact CG-CB 4.43Å; L714-R755 PolarHBondContact O-NH1 3.26Å
715G72.6Confident77.9Confident1 Ų149.1 Ų49.11%0.0124%0.241CC..  trans75.6151.1-174.100000113.4F710 S711 R755F710-G715 PolarHBondContact O-N 3.42Å; S711-G715 WeakPolarHBondContact O-CA 3.24Å; S711-G715 PolarHBondContact O-N 3.3Å; G715-R755 PolarHBondContact O-NH1 2.67Å; G715-R755 PolarHBondContact O-NH2 3.15Å
716K69Low76.3Confident83 Ų8351.6 Ų51.636%0.36125%0.252SS..SBendtrans-105.1155.6167.6-72.1-172.6174.6-172.40110.6N707 E718 C719N707-K716 WeakPolarHBondContact OD1-CE 3.32Å; N707-K716 PolarHBondContact OD1-NZ 3.25Å; K716-E718 PolarHBondContact O-N 3.39Å; K716-C719 WeakPolarHBondContact O-CB 3.36Å; K716-C719 PolarHBondContact O-N 2.79Å; K716-C719 VanDerWaalsContact O-N 3.15Å; K716-C719 PolarHBondContact O-SG 2.79Å
717N61.4Low74.5Confident149 Ų14955.2 Ų55.280%0.79727%0.272SS*.THydrogen-bonded Turntrans42.374.5166.7-58.4-11.4000115.2C719N717-C719 PolarHBondContact O-N 3.08Å
718E60.7Low72.7Confident195 Ų19557.3 Ų57.391%0.91129%0.292SS*.THydrogen-bonded Turntrans62.51.8176.9-55.3-177.8174.700116.9K716 K720K716-E718 PolarHBondContact O-N 3.39Å; E718-K720 PolarHBondContact O-N 3.49Å
719C62Low71Confident50 Ų5061.1 Ų61.134%0.33832%0.315SS..PPolyproline II helixtrans-59.5138.5170.8-72.40000111.6H675 K716 N717 R755H675-C719 HydrophobicContact CB-CB 4.45Å; K716-C719 WeakPolarHBondContact O-CB 3.36Å; K716-C719 PolarHBondContact O-N 2.79Å; K716-C719 VanDerWaalsContact O-N 3.15Å; K716-C719 PolarHBondContact O-SG 2.79Å; N717-C719 PolarHBondContact O-N 3.08Å; C719-R755 PolarHBondContact O-NH1 3.28Å
720K66Low69.4Low182 Ų18263.3 Ų63.379%0.79134%0.337SS*.PPolyproline II helixtrans-61.6140.7173.7-66.9-178.3-179.7177.20110.3E718E718-K720 PolarHBondContact O-N 3.49Å
721I69.8Low68Low39 Ų3969.4 Ų69.420%0.237%0.366CS..PPolyproline II helixtrans-59.4144.3170.8-61.2171.9000108.6F735 I758I721-F735 HydrophobicContact CD1-CD1 4.47Å; I721-F735 HydrophobicContact CG2-CB 4.49Å; I721-F735 HydrophobicContact CG2-CD1 3.89Å; I721-F735 HydrophobicContact CG2-CD2 3.48Å; I721-F735 VanDerWaalsContact CG2-CD2 3.48Å; I721-F735 HydrophobicContact CG2-CE1 3.95Å; I721-F735 HydrophobicContact CG2-CE2 3.46Å; I721-F735 VanDerWaalsContact CG2-CE2 3.46Å; I721-F735 HydrophobicContact CG2-CG 3.68Å; I721-F735 HydrophobicContact CG2-CZ 3.73Å; I721-I758 HydrophobicContact CD1-CB 3.97Å; I721-I758 HydrophobicContact CD1-CG2 3.99Å
722P73.4Confident67Low7 Ų773.3 Ų73.35%0.04539%0.391CS..PPolyproline II helixtrans-54.8151.9175.9-21.832.1000112I672 Q673 F674 L712 I713 F724I672-P722 HydrophobicContact CG2-CB 3.73Å; Q673-P722 CarbonylContact O-C 3.52Å; Q673-P722 VanDerWaalsContact O-CA 3.25Å; Q673-P722 WeakPolarHBondContact O-CA 3.34Å; Q673-P722 WeakPolarHBondContact O-CB 3.15Å; F674-P722 HydrophobicContact CD1-CB 4.29Å; F674-P722 HydrophobicContact CD1-CG 4.12Å; L712-P722 WeakPolarHBondContact O-CG 3.43Å; I713-P722 WeakPolarHBondContact O-CD 3.16Å; I713-P722 WeakPolarHBondContact O-CG 3.38Å; P722-F724 HydrophobicContact CB-CE2 3.7Å; P722-F724 HydrophobicContact CB-CZ 3.96Å; P722-F724 HydrophobicContact CG-CE2 4.44Å; P722-F724 HydrophobicContact CG-CZ 4.49Å; P722-F724 VanDerWaalsContact O-CD2 3.28Å; P722-F724 WeakPolarHBondContact O-CD2 3.28Å; P722-F724 WeakPolarHBondContact O-CE2 3.42Å
723K72.9Confident66.2Low136 Ų13675.3 Ų75.359%0.59140%0.403SS*.EExtended strand (participates in β ladder)trans-94.8137.3173.7-63.5179.3-179.4175.50110I672 Q673I672-K723 CarbonylContact C-O 3.6Å; I672-K723 WeakPolarHBondContact CA-O 3.44Å; Q673-K723 HydrophobicContact CB-CB 4.28Å; Q673-K723 PolarHBondContact N-O 2.73Å; Q673-K723 PolarHBondContact O-N 3.48Å
724F73.5Confident65.4Low6 Ų679.3 Ų79.33%0.02642%0.422CS..EExtended strand (participates in β ladder)trans-116.8128.1-176.2-64.3-98.5000109.9L670 I672 F687 P722 P732 V733 F735L670-F724 HydrophobicContact CD1-CD1 4.27Å; I672-F724 HydrophobicContact CB-CE1 4.37Å; I672-F724 HydrophobicContact CD1-CD1 4.27Å; I672-F724 HydrophobicContact CD1-CE1 3.71Å; I672-F724 HydrophobicContact CG1-CD1 3.81Å; I672-F724 HydrophobicContact CG1-CE1 3.68Å; I672-F724 HydrophobicContact CG2-CD1 4.39Å; I672-F724 HydrophobicContact CG2-CE1 3.88Å; I672-F724 HydrophobicContact CG2-CZ 3.96Å; F687-F724 HydrophobicContact CD1-CE1 4.2Å; F687-F724 AromaticContact CD2-CE1 3.71Å; F687-F724 HydrophobicContact CD2-CE1 3.71Å; F687-F724 HydrophobicContact CD2-CZ 4.22Å; F687-F724 AromaticContact CE1-CE1 3.88Å; F687-F724 HydrophobicContact CE1-CE1 3.88Å; F687-F724 HydrophobicContact CE1-CZ 4.13Å; F687-F724 AromaticContact CE2-CE1 3.35Å; F687-F724 HydrophobicContact CE2-CE1 3.35Å; F687-F724 AromaticContact CE2-CZ 3.39Å; F687-F724 HydrophobicContact CE2-CZ 3.39Å; F687-F724 HydrophobicContact CG-CE1 4.12Å; F687-F724 AromaticContact CZ-CE1 3.44Å; F687-F724 HydrophobicContact CZ-CE1 3.44Å; F687-F724 VanDerWaalsContact CZ-CE1 3.44Å; F687-F724 HydrophobicContact CZ-CE2 4.41Å; F687-F724 AromaticContact CZ-CZ 3.33Å; F687-F724 HydrophobicContact CZ-CZ 3.33Å; P722-F724 HydrophobicContact CB-CE2 3.7Å; P722-F724 HydrophobicContact CB-CZ 3.96Å; P722-F724 HydrophobicContact CG-CE2 4.44Å; P722-F724 HydrophobicContact CG-CZ 4.49Å; P722-F724 VanDerWaalsContact O-CD2 3.28Å; P722-F724 WeakPolarHBondContact O-CD2 3.28Å; P722-F724 WeakPolarHBondContact O-CE2 3.42Å; F724-P732 CarbonylContact O-C 3.57Å; F724-P732 WeakPolarHBondContact O-CA 3.35Å; F724-V733 HydrophobicContact CB-CB 4.16Å; F724-V733 PolarHBondContact O-N 2.95Å; F724-F735 AromaticContact CD2-CD2 3.94Å; F724-F735 HydrophobicContact CD2-CD2 3.94Å; F724-F735 AromaticContact CE2-CD2 3.21Å; F724-F735 HydrophobicContact CE2-CD2 3.21Å; F724-F735 AromaticContact CE2-CE2 3.65Å; F724-F735 HydrophobicContact CE2-CE2 3.65Å; F724-F735 HydrophobicContact CE2-CG 4.36Å; F724-F735 AromaticContact CZ-CD2 3.64Å; F724-F735 HydrophobicContact CZ-CD2 3.64Å; F724-F735 AromaticContact CZ-CE2 3.73Å; F724-F735 HydrophobicContact CZ-CE2 3.73Å
725C69.3Low64.7Low25 Ų2581 Ų8117%0.16943%0.429CS..EExtended strand (participates in β ladder)trans-131.1132.9177.9-62.60000109.9Q671Q671-C725 HydrophobicContact CB-CB 4.39Å; Q671-C725 PolarHBondContact N-O 3.04Å; Q671-C725 PolarHBondContact O-N 2.92Å
726H63.1Low64.6Low76 Ų7681.4 Ų81.435%0.35243%0.431SS..SBendtrans-78.2-38.9174.1-94.6-49000112.7A665 E669 V733A665-H726 WeakPolarHBondContact CB-O 3.14Å; E669-H726 PolarHBondContact O-ND1 3.22Å; E669-H726 VanDerWaalsContact O-ND1 3.13Å; H726-V733 HydrophobicContact CB-CG2 3.97Å; H726-V733 WeakPolarHBondContact CD2-CG2 2.82Å
727N57.4Low64.9Low84 Ų8479.2 Ų79.245%0.44943%0.426SS..SBendtrans-139.8164.2-170-71-11.9000111.4N729 G730N727-N729 PolarHBondContact O-N 3.35Å; N727-G730 PolarHBondContact O-N 2.91Å
728A53.6Low65.5Low68 Ų6874.7 Ų74.756%0.56241%0.406SS*.THydrogen-bonded Turntrans-53.1-17.7175.400000114.8I664 G730I664-A728 HydrophobicContact CD1-CB 4.25Å; I664-A728 HydrophobicContact CG1-CB 4.33Å; I664-A728 HydrophobicContact CG2-CB 3.98Å; A728-G730 PolarHBondContact O-N 3.18Å
729N56.1Low66.1Low129 Ų12971.4 Ų71.469%0.6939%0.391SS*.THydrogen-bonded Turntrans-61.4-10.2173.8-62.92.8000113.2N727 Q731N727-N729 PolarHBondContact O-N 3.35Å; N729-Q731 HydrophobicContact CB-CG 4.28Å; N729-Q731 PolarHBondContact O-N 3.43Å; N729-Q731 VanDerWaalsContact O-N 3.15Å
730G57.8Low66.9Low45 Ų4569.5 Ų69.546%0.46438%0.377SS..  trans65.618.3177.800000113.1N727 A728 P732N727-G730 PolarHBondContact O-N 2.91Å; A728-G730 PolarHBondContact O-N 3.18Å; G730-P732 VanDerWaalsContact O-CD 3.3Å; G730-P732 WeakPolarHBondContact O-CD 3.16Å
731Q61.5Low67.8Low141 Ų14160.9 Ų60.966%0.65934%0.34SS*.PPolyproline II helixtrans-70117.7177.5-73.6-167.3-1300108.8N729 V733N729-Q731 HydrophobicContact CB-CG 4.28Å; N729-Q731 PolarHBondContact O-N 3.43Å; N729-Q731 VanDerWaalsContact O-N 3.15Å; Q731-V733 PolarHBondContact O-N 2.74Å
732P63.4Low68.3Low114 Ų11460.2 Ų60.274%0.7434%0.338SS*.BIsolated β-bridgetrans-67132.2-179.326.6-32.5000110.2F724 G730F724-P732 CarbonylContact O-C 3.57Å; F724-P732 WeakPolarHBondContact O-CA 3.35Å; G730-P732 VanDerWaalsContact O-CD 3.3Å; G730-P732 WeakPolarHBondContact O-CD 3.16Å
733V65.9Low68.6Low47 Ų4761 Ų6129%0.28534%0.343SS..PPolyproline II helixtrans-93.2150.2173.9-173.90000108.9F724 H726 Q731F724-V733 HydrophobicContact CB-CB 4.16Å; F724-V733 PolarHBondContact O-N 2.95Å; H726-V733 HydrophobicContact CB-CG2 3.97Å; H726-V733 WeakPolarHBondContact CD2-CG2 2.82Å; Q731-V733 PolarHBondContact O-N 2.74Å
734E63.9Low69.2Low89 Ų8954.6 Ų54.642%0.41632%0.315SS..PPolyproline II helixtrans-59.5136.5174-74.9179.2169.900110.8L736 K761E734-L736 PolarHBondContact O-N 3.3Å; E734-K761 IonicContact OE1-NZ 2.77Å; E734-K761 PolarHBondContact OE1-NZ 3.38Å
735F65.9Low69.8Low35 Ų3554.3 Ų54.315%0.15431%0.314CS..SBendtrans-62-38.8-174171.8-126.5000113.5F687 I713 L714 I721 F724F687-F735 VanDerWaalsContact CE1-O 3.31Å; F687-F735 WeakPolarHBondContact CE1-O 3.01Å; F687-F735 HydrophobicContact CZ-CD2 4.16Å; F687-F735 AromaticContact CZ-CE2 3.74Å; F687-F735 HydrophobicContact CZ-CE2 3.74Å; F687-F735 HydrophobicContact CZ-CZ 4.5Å; I713-F735 HydrophobicContact CG2-CE2 4.12Å; I713-F735 HydrophobicContact CG2-CZ 3.91Å; I713-F735 WeakPolarHBondContact O-CE2 3.03Å; I713-F735 VanDerWaalsContact O-CZ 3.28Å; I713-F735 WeakPolarHBondContact O-CZ 3.43Å; L714-F735 HydrophobicContact CD2-CE1 3.48Å; L714-F735 VanDerWaalsContact CD2-CE1 3.48Å; L714-F735 HydrophobicContact CD2-CZ 3.45Å; L714-F735 VanDerWaalsContact CD2-CZ 3.45Å; L714-F735 HydrophobicContact CG-CZ 4.38Å; I721-F735 HydrophobicContact CD1-CD1 4.47Å; I721-F735 HydrophobicContact CG2-CB 4.49Å; I721-F735 HydrophobicContact CG2-CD1 3.89Å; I721-F735 HydrophobicContact CG2-CD2 3.48Å; I721-F735 VanDerWaalsContact CG2-CD2 3.48Å; I721-F735 HydrophobicContact CG2-CE1 3.95Å; I721-F735 HydrophobicContact CG2-CE2 3.46Å; I721-F735 VanDerWaalsContact CG2-CE2 3.46Å; I721-F735 HydrophobicContact CG2-CG 3.68Å; I721-F735 HydrophobicContact CG2-CZ 3.73Å; F724-F735 AromaticContact CD2-CD2 3.94Å; F724-F735 HydrophobicContact CD2-CD2 3.94Å; F724-F735 AromaticContact CE2-CD2 3.21Å; F724-F735 HydrophobicContact CE2-CD2 3.21Å; F724-F735 AromaticContact CE2-CE2 3.65Å; F724-F735 HydrophobicContact CE2-CE2 3.65Å; F724-F735 HydrophobicContact CE2-CG 4.36Å; F724-F735 AromaticContact CZ-CD2 3.64Å; F724-F735 HydrophobicContact CZ-CD2 3.64Å; F724-F735 AromaticContact CZ-CE2 3.73Å; F724-F735 HydrophobicContact CZ-CE2 3.73Å
736L69.9Low70.5Confident10 Ų1054 Ų545%0.05231%0.312CS..SBendtrans-123.6132.8-178.3-62.5168.6000108.7E734 L740 L741 F744 A756E734-L736 PolarHBondContact O-N 3.3Å; L736-L740 HydrophobicContact CB-CD2 4.45Å; L736-L740 HydrophobicContact CD2-CD2 3.44Å; L736-L740 VanDerWaalsContact CD2-CD2 3.44Å; L736-L740 HydrophobicContact CD2-CG 4.04Å; L736-L741 HydrophobicContact CB-CB 4.22Å; L736-L741 HydrophobicContact CD1-CD1 3.91Å; L736-F744 HydrophobicContact CD1-CD2 3.84Å; L736-F744 HydrophobicContact CD1-CE2 4.15Å; L736-F744 HydrophobicContact CD2-CD2 4.18Å; L736-F744 HydrophobicContact CD2-CE2 3.73Å; L736-F744 HydrophobicContact CD2-CZ 4.2Å; L736-A756 HydrophobicContact CD1-CB 3.97Å
737S74.7Confident71.4Confident37 Ų3750.4 Ų50.426%0.25930%0.295SS..  trans-60.3150.3168.371.10000110.2D688 Q739 L740 L741D688-S737 VanDerWaalsContact OD2-CB 3.28Å; D688-S737 WeakPolarHBondContact OD2-CB 3.13Å; D688-S737 PolarHBondContact OD2-OG 3.43Å; S737-Q739 PolarHBondContact O-N 2.85Å; S737-Q739 VanDerWaalsContact O-N 3.12Å; S737-L740 PolarHBondContact O-N 2.9Å; S737-L740 VanDerWaalsContact OG-CB 3.3Å; S737-L740 WeakPolarHBondContact OG-CB 3.48Å; S737-L740 PolarHBondContact OG-N 3.49Å; S737-L741 PolarHBondContact O-N 3.05Å
738S74.5Confident72.4Confident53 Ų5349.2 Ų49.237%0.37129%0.293SS..Hα-helixtrans-55.1-34.3-178.763.50000113.1S742S738-S742 PolarHBondContact O-N 3.05Å; S738-S742 PolarHBondContact O-OG 2.95Å
739Q73.9Confident73.7Confident127 Ų12746.8 Ų46.859%0.59327%0.271SS*.Hα-helixtrans-70.4-47.2176.1-68.9-179.5-9.200111.2S737 L741 S742 V743S737-Q739 PolarHBondContact O-N 2.85Å; S737-Q739 VanDerWaalsContact O-N 3.12Å; Q739-L741 PolarHBondContact O-N 3.05Å; Q739-S742 WeakPolarHBondContact O-CB 3.24Å; Q739-S742 PolarHBondContact O-N 2.87Å; Q739-S742 VanDerWaalsContact O-N 3.15Å; Q739-V743 WeakPolarHBondContact O-CG2 3.37Å; Q739-V743 PolarHBondContact O-N 3Å
740L78.7Confident75Confident10 Ų1045.6 Ų45.65%0.05226%0.261CS..Hα-helixtrans-61.8-44.6179.6-176.664.4000112.3A691 I695 L736 S737 S742 V743 F744A691-L740 HydrophobicContact CB-CD1 4.23Å; A691-L740 HydrophobicContact CB-CD2 3.56Å; A691-L740 HydrophobicContact CB-CG 4.43Å; I695-L740 HydrophobicContact CD1-CD1 4.49Å; L736-L740 HydrophobicContact CB-CD2 4.45Å; L736-L740 HydrophobicContact CD2-CD2 3.44Å; L736-L740 VanDerWaalsContact CD2-CD2 3.44Å; L736-L740 HydrophobicContact CD2-CG 4.04Å; S737-L740 PolarHBondContact O-N 2.9Å; S737-L740 VanDerWaalsContact OG-CB 3.3Å; S737-L740 WeakPolarHBondContact OG-CB 3.48Å; S737-L740 PolarHBondContact OG-N 3.49Å; L740-S742 PolarHBondContact O-N 3.13Å; L740-V743 PolarHBondContact O-N 3.09Å; L740-V743 VanDerWaalsContact O-N 3.12Å; L740-F744 HydrophobicContact CD1-CD1 3.83Å; L740-F744 HydrophobicContact CD1-CE1 3.38Å; L740-F744 HydrophobicContact CD1-CZ 4.15Å; L740-F744 HydrophobicContact CD2-CE1 4.39Å; L740-F744 HydrophobicContact CD2-CZ 4.4Å; L740-F744 HydrophobicContact CG-CD1 4Å; L740-F744 HydrophobicContact CG-CE1 3.73Å; L740-F744 HydrophobicContact CG-CZ 4.18Å; L740-F744 VanDerWaalsContact O-CD1 3.29Å; L740-F744 WeakPolarHBondContact O-CD1 3.47Å; L740-F744 PolarHBondContact O-N 3.13Å
741L84.1Confident76.1Confident1 Ų148.5 Ų48.51%0.00526%0.264CS..Hα-helixtrans-56.9-40175.6179.165.4000111.7L736 S737 Q739 V743 F744 M745 A756 L760 E764L736-L741 HydrophobicContact CB-CB 4.22Å; L736-L741 HydrophobicContact CD1-CD1 3.91Å; S737-L741 PolarHBondContact O-N 3.05Å; Q739-L741 PolarHBondContact O-N 3.05Å; L741-V743 VanDerWaalsContact C-N 3.34Å; L741-V743 PolarHBondContact O-N 3.27Å; L741-F744 PolarHBondContact O-N 2.59Å; L741-M745 HydrophobicContact CD1-CE 4.03Å; L741-M745 WeakPolarHBondContact O-CG 3.44Å; L741-M745 PolarHBondContact O-N 3.32Å; L741-M745 VanDerWaalsContact O-N 3.12Å; L741-A756 HydrophobicContact CD1-CB 4.38Å; L741-L760 HydrophobicContact CD1-CD1 4.28Å; L741-L760 HydrophobicContact CD1-CD2 3.76Å; L741-L760 HydrophobicContact CD2-CD2 3.46Å; L741-L760 VanDerWaalsContact CD2-CD2 3.46Å; L741-L760 HydrophobicContact CG-CD2 4.26Å; L741-E764 HydrophobicContact CD2-CB 3.88Å; L741-E764 HydrophobicContact CD2-CG 4.49Å
742S81Confident77.3Confident24 Ų2441.8 Ų41.817%0.16823%0.233CC..Hα-helixtrans-58-48.1177.3-56.10000111.2S738 Q739 L740 M745 V746 Q771S738-S742 PolarHBondContact O-N 3.05Å; S738-S742 PolarHBondContact O-OG 2.95Å; Q739-S742 WeakPolarHBondContact O-CB 3.24Å; Q739-S742 PolarHBondContact O-N 2.87Å; Q739-S742 VanDerWaalsContact O-N 3.15Å; L740-S742 PolarHBondContact O-N 3.13Å; S742-M745 PolarHBondContact O-N 3.01Å; S742-V746 WeakPolarHBondContact O-CG2 3.47Å; S742-Q771 VanDerWaalsContact CA-OE1 3.24Å; S742-Q771 VanDerWaalsContact CB-CD 3.47Å; S742-Q771 PolarHBondContact O-OE1 3.48Å; S742-Q771 PolarHBondContact OG-NE2 3.25Å
743V79.7Confident78.3Confident25 Ų2536.3 Ų36.315%0.15220%0.198CC..Hα-helixtrans-71.4-34.9-179.6-161.50000111.7Y692 I695 Q739 L740 L741 M745 V746 S747Y692-V743 HydrophobicContact CE2-CG1 4.03Å; I695-V743 HydrophobicContact CD1-CB 3.77Å; I695-V743 HydrophobicContact CD1-CG1 3.54Å; I695-V743 HydrophobicContact CG2-CG1 4.28Å; Q739-V743 WeakPolarHBondContact O-CG2 3.37Å; Q739-V743 PolarHBondContact O-N 3Å; L740-V743 PolarHBondContact O-N 3.09Å; L740-V743 VanDerWaalsContact O-N 3.12Å; L741-V743 VanDerWaalsContact C-N 3.34Å; L741-V743 PolarHBondContact O-N 3.27Å; V743-M745 VanDerWaalsContact C-N 3.28Å; V743-M745 PolarHBondContact O-N 3.01Å; V743-V746 PolarHBondContact O-N 3.18Å; V743-S747 PolarHBondContact O-N 2.62Å
744F85Confident79.3Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-57.7-41175.5-85.429.2000111.8A691 I695 L736 L740 L741 V746 S747 L752 A756A691-F744 HydrophobicContact CB-CE1 4.44Å; A691-F744 HydrophobicContact CB-CZ 3.91Å; A691-F744 VanDerWaalsContact O-CE1 3.29Å; A691-F744 WeakPolarHBondContact O-CE1 3.1Å; A691-F744 WeakPolarHBondContact O-CZ 3.33Å; I695-F744 HydrophobicContact CD1-CD1 3.67Å; I695-F744 HydrophobicContact CD1-CE1 3.77Å; I695-F744 HydrophobicContact CG1-CD1 3.45Å; I695-F744 VanDerWaalsContact CG1-CD1 3.45Å; I695-F744 HydrophobicContact CG1-CE1 3.44Å; I695-F744 VanDerWaalsContact CG1-CE1 3.44Å; L736-F744 HydrophobicContact CD1-CD2 3.84Å; L736-F744 HydrophobicContact CD1-CE2 4.15Å; L736-F744 HydrophobicContact CD2-CD2 4.18Å; L736-F744 HydrophobicContact CD2-CE2 3.73Å; L736-F744 HydrophobicContact CD2-CZ 4.2Å; L740-F744 HydrophobicContact CD1-CD1 3.83Å; L740-F744 HydrophobicContact CD1-CE1 3.38Å; L740-F744 HydrophobicContact CD1-CZ 4.15Å; L740-F744 HydrophobicContact CD2-CE1 4.39Å; L740-F744 HydrophobicContact CD2-CZ 4.4Å; L740-F744 HydrophobicContact CG-CD1 4Å; L740-F744 HydrophobicContact CG-CE1 3.73Å; L740-F744 HydrophobicContact CG-CZ 4.18Å; L740-F744 VanDerWaalsContact O-CD1 3.29Å; L740-F744 WeakPolarHBondContact O-CD1 3.47Å; L740-F744 PolarHBondContact O-N 3.13Å; L741-F744 PolarHBondContact O-N 2.59Å; F744-V746 PolarHBondContact O-N 3.23Å; F744-S747 VanDerWaalsContact O-CB 3.22Å; F744-S747 WeakPolarHBondContact O-CB 3.4Å; F744-S747 PolarHBondContact O-N 2.95Å; F744-S747 VanDerWaalsContact O-N 3.07Å; F744-L752 HydrophobicContact CB-CD2 3.74Å; F744-L752 HydrophobicContact CD1-CD2 4.17Å; F744-L752 HydrophobicContact CD2-CD1 4.48Å; F744-L752 HydrophobicContact CD2-CD2 3.52Å; F744-L752 HydrophobicContact CD2-CG 4.03Å; F744-L752 HydrophobicContact CE1-CD1 4.43Å; F744-L752 HydrophobicContact CE2-CD1 4.2Å; F744-L752 HydrophobicContact CE2-CD2 4.04Å; F744-L752 HydrophobicContact CE2-CG 4.05Å; F744-L752 HydrophobicContact CG-CD2 3.57Å; F744-L752 HydrophobicContact CG-CG 4.45Å; F744-L752 HydrophobicContact CZ-CD1 4.14Å; F744-L752 HydrophobicContact CZ-CG 4.49Å; F744-A756 HydrophobicContact CB-CB 4.46Å; F744-A756 HydrophobicContact CD2-CB 3.88Å
745M87.4Confident80.2Confident0 Ų034.7 Ų34.70%019%0.188CC..THydrogen-bonded Turntrans-67.8-12.4178.8-65.1-60.610300113.7L741 S742 V743 V753 A756 L757 C768 L774 N778 L782L741-M745 HydrophobicContact CD1-CE 4.03Å; L741-M745 WeakPolarHBondContact O-CG 3.44Å; L741-M745 PolarHBondContact O-N 3.32Å; L741-M745 VanDerWaalsContact O-N 3.12Å; S742-M745 PolarHBondContact O-N 3.01Å; V743-M745 VanDerWaalsContact C-N 3.28Å; V743-M745 PolarHBondContact O-N 3.01Å; M745-V753 HydrophobicContact CE-CG1 3.98Å; M745-V753 HydrophobicContact SD-CG1 4.22Å; M745-A756 HydrophobicContact CE-CB 3.61Å; M745-L757 HydrophobicContact CE-CG 4.49Å; M745-L757 HydrophobicContact SD-CD2 4.11Å; M745-C768 HydrophobicContact CG-CB 4.08Å; M745-L774 HydrophobicContact CB-CD2 3.58Å; M745-L774 WeakPolarHBondContact O-CD2 3.27Å; M745-N778 WeakPolarHBondContact O-CB 3.19Å; M745-N778 PolarHBondContact O-ND2 3.02Å; M745-L782 HydrophobicContact CG-CD1 4.31Å; M745-L782 HydrophobicContact SD-CD1 4.13Å; M745-L782 HydrophobicContact SD-CD2 3.94Å; M745-L782 HydrophobicContact SD-CG 4.1Å
746V82.2Confident81Confident20 Ų2033.2 Ų33.212%0.12118%0.182CC..THydrogen-bonded Turntrans-97.2-7.6175-159.10000112.2Y627 S742 V743 F744 L774Y627-V746 HydrophobicContact CD2-CB 4.4Å; Y627-V746 HydrophobicContact CD2-CG1 3.91Å; Y627-V746 HydrophobicContact CE2-CB 4.34Å; Y627-V746 HydrophobicContact CE2-CG1 3.42Å; Y627-V746 VanDerWaalsContact CE2-CG1 3.42Å; S742-V746 WeakPolarHBondContact O-CG2 3.47Å; V743-V746 PolarHBondContact O-N 3.18Å; F744-V746 PolarHBondContact O-N 3.23Å; V746-L774 HydrophobicContact CG2-CD2 4.29Å
747S83.4Confident81.7Confident0 Ų033.4 Ų33.40%018%0.183CC..  trans-62.5145.8179.3-175.60000112.1I695 V743 F744 N749 N778I695-S747 PolarHBondContact O-OG 3.05Å; V743-S747 PolarHBondContact O-N 2.62Å; F744-S747 VanDerWaalsContact O-CB 3.22Å; F744-S747 WeakPolarHBondContact O-CB 3.4Å; F744-S747 PolarHBondContact O-N 2.95Å; F744-S747 VanDerWaalsContact O-N 3.07Å; S747-N749 VanDerWaalsContact C-N 3.28Å; S747-N749 WeakPolarHBondContact OG-CB 3.42Å; S747-N749 PolarHBondContact OG-N 3.39Å; S747-N778 PolarHBondContact O-ND2 3.17Å
748S77.7Confident82Confident58 Ų5836 Ų3641%0.40619%0.194SC..SBendtrans-77.2-15.6166.760.40000112.8E697 E750E697-S748 PolarHBondContact OE1-OG 3.45Å; S748-E750 PolarHBondContact O-N 2.98Å
749N81.6Confident82.1Confident18 Ų1836.7 Ų36.710%0.09621%0.209CC..  trans-76.897.2-179.5-174.7-24.5000110.3E697 Y706 S747 I751 L752 V753E697-N749 HydrophobicContact CG-CB 4.44Å; Y706-N749 PolarHBondContact OH-ND2 2.99Å; S747-N749 VanDerWaalsContact C-N 3.28Å; S747-N749 WeakPolarHBondContact OG-CB 3.42Å; S747-N749 PolarHBondContact OG-N 3.39Å; N749-I751 VanDerWaalsContact C-N 3.26Å; N749-I751 PolarHBondContact O-N 3.2Å; N749-I751 WeakPolarHBondContact OD1-CB 3.44Å; N749-I751 PolarHBondContact OD1-N 3.38Å; N749-L752 HydrophobicContact CB-CB 3.96Å; N749-L752 WeakPolarHBondContact O-CB 3.29Å; N749-L752 PolarHBondContact O-N 3.23Å; N749-L752 VanDerWaalsContact O-N 3.14Å; N749-L752 PolarHBondContact OD1-N 3.14Å; N749-L752 VanDerWaalsContact OD1-N 3.12Å; N749-V753 WeakPolarHBondContact O-CG2 3.1Å; N749-V753 PolarHBondContact O-N 3.41Å; N749-V753 VanDerWaalsContact O-N 3.1Å
750E82.1Confident82.6Confident103 Ų10331.3 Ų31.348%0.48118%0.184SC..Hα-helixtrans-57-37.2-179.9-67.1-160.7-160.500113.7S748 L752 V753 D754 R781S748-E750 PolarHBondContact O-N 2.98Å; E750-L752 VanDerWaalsContact C-N 3.31Å; E750-L752 PolarHBondContact O-N 3.44Å; E750-V753 PolarHBondContact O-N 3.29Å; E750-D754 WeakPolarHBondContact O-CB 3.37Å; E750-D754 PolarHBondContact O-N 3.49Å; E750-R781 IonicContact OE2-CZ 2.77Å; E750-R781 IonicContact OE2-NH1 3.43Å; E750-R781 PolarHBondContact OE2-NH1 3.23Å; E750-R781 IonicContact OE2-NH2 2.8Å; E750-R781 PolarHBondContact OE2-NH2 2.76Å; E750-R781 VanDerWaalsContact OE2-NH2 3.09Å
751I82.4Confident82.9Confident106 Ų10635.9 Ų35.954%0.54420%0.203SC..Hα-helixtrans-66.6-39.6-179-49.7178.4000109.8F710 N749 R755F710-I751 HydrophobicContact CE1-CG2 4.2Å; F710-I751 HydrophobicContact CZ-CB 4.28Å; F710-I751 HydrophobicContact CZ-CG2 3.62Å; N749-I751 VanDerWaalsContact C-N 3.26Å; N749-I751 PolarHBondContact O-N 3.2Å; N749-I751 WeakPolarHBondContact OD1-CB 3.44Å; N749-I751 PolarHBondContact OD1-N 3.38Å; I751-R755 WeakPolarHBondContact O-CB 3.35Å; I751-R755 VanDerWaalsContact O-CG 3.25Å; I751-R755 WeakPolarHBondContact O-CG 3.38Å; I751-R755 PolarHBondContact O-N 2.73Å
752L85.2Confident82.9Confident0 Ų036.5 Ų36.50%021%0.206CC..Hα-helixtrans-63.7-45.3175177.2150.5000111L694 F710 L714 F744 N749 E750 R755 A756L694-L752 VanDerWaalsContact C-CD1 3.45Å; L694-L752 HydrophobicContact CB-CD1 3.62Å; L694-L752 WeakPolarHBondContact O-CD1 3.22Å; F710-L752 HydrophobicContact CE2-CB 4.24Å; L714-L752 HydrophobicContact CD1-CD1 4.47Å; L714-L752 HydrophobicContact CD1-CG 4.21Å; F744-L752 HydrophobicContact CB-CD2 3.74Å; F744-L752 HydrophobicContact CD1-CD2 4.17Å; F744-L752 HydrophobicContact CD2-CD1 4.48Å; F744-L752 HydrophobicContact CD2-CD2 3.52Å; F744-L752 HydrophobicContact CD2-CG 4.03Å; F744-L752 HydrophobicContact CE1-CD1 4.43Å; F744-L752 HydrophobicContact CE2-CD1 4.2Å; F744-L752 HydrophobicContact CE2-CD2 4.04Å; F744-L752 HydrophobicContact CE2-CG 4.05Å; F744-L752 HydrophobicContact CG-CD2 3.57Å; F744-L752 HydrophobicContact CG-CG 4.45Å; F744-L752 HydrophobicContact CZ-CD1 4.14Å; F744-L752 HydrophobicContact CZ-CG 4.49Å; N749-L752 HydrophobicContact CB-CB 3.96Å; N749-L752 WeakPolarHBondContact O-CB 3.29Å; N749-L752 PolarHBondContact O-N 3.23Å; N749-L752 VanDerWaalsContact O-N 3.14Å; N749-L752 PolarHBondContact OD1-N 3.14Å; N749-L752 VanDerWaalsContact OD1-N 3.12Å; E750-L752 VanDerWaalsContact C-N 3.31Å; E750-L752 PolarHBondContact O-N 3.44Å; L752-R755 PolarHBondContact O-N 2.96Å; L752-A756 WeakPolarHBondContact O-CB 3.07Å; L752-A756 PolarHBondContact O-N 3.33Å
753V86.3Confident83.1Confident0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-62.7-46.9178.51790000110.5M745 N749 E750 R755 A756 L757 N778M745-V753 HydrophobicContact CE-CG1 3.98Å; M745-V753 HydrophobicContact SD-CG1 4.22Å; N749-V753 WeakPolarHBondContact O-CG2 3.1Å; N749-V753 PolarHBondContact O-N 3.41Å; N749-V753 VanDerWaalsContact O-N 3.1Å; E750-V753 PolarHBondContact O-N 3.29Å; V753-R755 VanDerWaalsContact C-N 3.3Å; V753-R755 PolarHBondContact O-N 2.88Å; V753-A756 PolarHBondContact O-N 2.95Å; V753-A756 VanDerWaalsContact O-N 3.16Å; V753-L757 HydrophobicContact CG1-CD1 4.06Å; V753-L757 HydrophobicContact CG1-CG 4.5Å; V753-L757 VanDerWaalsContact O-CG 3.24Å; V753-L757 WeakPolarHBondContact O-CG 3.41Å; V753-L757 PolarHBondContact O-N 3.47Å; V753-N778 HydrophobicContact CG1-CB 4.3Å
754D86.7Confident83.5Confident73 Ų7338 Ų3839%0.3922%0.217SC..Hα-helixtrans-56.4-45.1176.9-78.9-27.7000112.1E750 L757 R781E750-D754 WeakPolarHBondContact O-CB 3.37Å; E750-D754 PolarHBondContact O-N 3.49Å; D754-L757 PolarHBondContact O-N 3.04Å; D754-R781 IonicContact OD1-CZ 3.09Å; D754-R781 IonicContact OD1-NE 2.75Å; D754-R781 PolarHBondContact OD1-NE 3.36Å; D754-R781 IonicContact OD1-NH2 2.92Å; D754-R781 PolarHBondContact OD1-NH2 3.48Å; D754-R781 IonicContact OD2-CZ 3.01Å; D754-R781 IonicContact OD2-NE 3.19Å; D754-R781 IonicContact OD2-NH2 3.52Å; D754-R781 PolarHBondContact OD2-NH2 3.03Å
755R82.2Confident83.6Confident29 Ų2938 Ų3811%0.10922%0.217CC..Hα-helixtrans-66.3-39.8177.9-73.4-70.9-176.1153.7-12.4112.2F710 L714 G715 C719 I751 L752 V753 L757 I758F710-R755 HydrophobicContact CZ-CG 4.36Å; L714-R755 HydrophobicContact CB-CB 4.21Å; L714-R755 HydrophobicContact CB-CG 4.29Å; L714-R755 HydrophobicContact CD1-CB 4.44Å; L714-R755 HydrophobicContact CD2-CB 3.95Å; L714-R755 HydrophobicContact CG-CB 4.43Å; L714-R755 PolarHBondContact O-NH1 3.26Å; G715-R755 PolarHBondContact O-NH1 2.67Å; G715-R755 PolarHBondContact O-NH2 3.15Å; C719-R755 PolarHBondContact O-NH1 3.28Å; I751-R755 WeakPolarHBondContact O-CB 3.35Å; I751-R755 VanDerWaalsContact O-CG 3.25Å; I751-R755 WeakPolarHBondContact O-CG 3.38Å; I751-R755 PolarHBondContact O-N 2.73Å; L752-R755 PolarHBondContact O-N 2.96Å; V753-R755 VanDerWaalsContact C-N 3.3Å; V753-R755 PolarHBondContact O-N 2.88Å; R755-L757 PolarHBondContact O-N 3.34Å; R755-I758 WeakPolarHBondContact O-CB 3.39Å; R755-I758 PolarHBondContact O-N 3.12Å
756A82Confident83.5Confident3 Ų339.2 Ų39.23%0.02522%0.222CC..Hα-helixtrans-66.6-24.3178.100000113.2L736 L741 F744 M745 L752 V753 I758 L760L736-A756 HydrophobicContact CD1-CB 3.97Å; L741-A756 HydrophobicContact CD1-CB 4.38Å; F744-A756 HydrophobicContact CB-CB 4.46Å; F744-A756 HydrophobicContact CD2-CB 3.88Å; M745-A756 HydrophobicContact CE-CB 3.61Å; L752-A756 WeakPolarHBondContact O-CB 3.07Å; L752-A756 PolarHBondContact O-N 3.33Å; V753-A756 PolarHBondContact O-N 2.95Å; V753-A756 VanDerWaalsContact O-N 3.16Å; A756-I758 VanDerWaalsContact C-N 3.33Å; A756-L760 VanDerWaalsContact O-CG 3.27Å; A756-L760 WeakPolarHBondContact O-CG 3.5Å
757L84.6Confident83.6Confident14 Ų1442.7 Ų42.77%0.07323%0.233CC..THydrogen-bonded Turntrans-78.4-14.9176.8-67.7163.7000113.6M745 V753 D754 R755 G759 L760 R781 L782 K785M745-L757 HydrophobicContact CE-CG 4.49Å; M745-L757 HydrophobicContact SD-CD2 4.11Å; V753-L757 HydrophobicContact CG1-CD1 4.06Å; V753-L757 HydrophobicContact CG1-CG 4.5Å; V753-L757 VanDerWaalsContact O-CG 3.24Å; V753-L757 WeakPolarHBondContact O-CG 3.41Å; V753-L757 PolarHBondContact O-N 3.47Å; D754-L757 PolarHBondContact O-N 3.04Å; R755-L757 PolarHBondContact O-N 3.34Å; L757-G759 PolarHBondContact O-N 2.77Å; L757-L760 HydrophobicContact CD2-CD1 3.74Å; L757-L760 HydrophobicContact CG-CD1 4.49Å; L757-R781 HydrophobicContact CD1-CB 3.5Å; L757-R781 VanDerWaalsContact CD1-CB 3.5Å; L757-R781 HydrophobicContact CD1-CG 4.2Å; L757-L782 HydrophobicContact CD2-CD2 3.73Å; L757-L782 HydrophobicContact CD2-CG 4.27Å; L757-K785 WeakPolarHBondContact O-CE 3.37Å
758I80.7Confident83.9Confident93 Ų9342.7 Ų42.748%0.47723%0.233SC..THydrogen-bonded Turntrans-69.7118.2178.8-60174.8000109I721 R755 A756 L760I721-I758 HydrophobicContact CD1-CB 3.97Å; I721-I758 HydrophobicContact CD1-CG2 3.99Å; R755-I758 WeakPolarHBondContact O-CB 3.39Å; R755-I758 PolarHBondContact O-N 3.12Å; A756-I758 VanDerWaalsContact C-N 3.33Å; I758-L760 VanDerWaalsContact C-N 3.32Å; I758-L760 PolarHBondContact O-N 2.96Å
759G76.8Confident84.3Confident67 Ų6739.9 Ų39.969%0.69121%0.214SC*.THydrogen-bonded Turntrans79.9317500000115.9L757L757-G759 PolarHBondContact O-N 2.77Å
760L84.3Confident84.5Confident13 Ų1345.9 Ų45.97%0.06824%0.235CC..  trans-54.2143173.7-78179.4000111.5L741 A756 L757 I758 E764 V765 F789L741-L760 HydrophobicContact CD1-CD1 4.28Å; L741-L760 HydrophobicContact CD1-CD2 3.76Å; L741-L760 HydrophobicContact CD2-CD2 3.46Å; L741-L760 VanDerWaalsContact CD2-CD2 3.46Å; L741-L760 HydrophobicContact CG-CD2 4.26Å; A756-L760 VanDerWaalsContact O-CG 3.27Å; A756-L760 WeakPolarHBondContact O-CG 3.5Å; L757-L760 HydrophobicContact CD2-CD1 3.74Å; L757-L760 HydrophobicContact CG-CD1 4.49Å; I758-L760 VanDerWaalsContact C-N 3.32Å; I758-L760 PolarHBondContact O-N 2.96Å; L760-E764 WeakPolarHBondContact CA-OE2 3.47Å; L760-E764 HydrophobicContact CD2-CB 3.94Å; L760-E764 WeakPolarHBondContact CD2-OE2 3.28Å; L760-V765 HydrophobicContact CB-CG2 4.31Å; L760-V765 HydrophobicContact CD1-CG2 4.45Å; L760-F789 WeakPolarHBondContact O-CZ 3.29Å
761K85.7Confident84.2Confident106 Ų10643 Ų4346%0.46122%0.221SC..  trans-85.8155.6172.1-61.9170.5-173.2166.60110E734 S763 E764 V765E734-K761 IonicContact OE1-NZ 2.77Å; E734-K761 PolarHBondContact OE1-NZ 3.38Å; K761-S763 PolarHBondContact O-N 2.99Å; K761-S763 VanDerWaalsContact O-N 3.15Å; K761-E764 HydrophobicContact CB-CG 4.29Å; K761-E764 PolarHBondContact N-OE2 3.35Å; K761-E764 WeakPolarHBondContact O-CB 3.31Å; K761-E764 PolarHBondContact O-N 3.38Å; K761-V765 PolarHBondContact O-N 3.26Å; K761-V765 VanDerWaalsContact O-N 3.12Å
762M84.5Confident83.6Confident15 Ų1545.4 Ų45.47%0.07423%0.228CC..Hα-helixtrans-50.4-40.3173.9-175.467.6178.300113.3E764 V765 H766 L786 F789 I796 L804M762-E764 VanDerWaalsContact C-N 3.26Å; M762-E764 PolarHBondContact O-N 3.41Å; M762-V765 PolarHBondContact O-N 2.95Å; M762-H766 WeakPolarHBondContact O-CB 3.43Å; M762-H766 PolarHBondContact O-N 3.46Å; M762-L786 HydrophobicContact CE-CD1 3.16Å; M762-L786 HydrophobicContact SD-CD1 3.62Å; M762-F789 HydrophobicContact CB-CD2 4.34Å; M762-F789 HydrophobicContact CB-CG 4.34Å; M762-F789 HydrophobicContact SD-CB 3.58Å; M762-F789 VanDerWaalsContact SD-CB 3.58Å; M762-F789 HydrophobicContact SD-CD2 3.75Å; M762-F789 HydrophobicContact SD-CG 3.83Å; M762-I796 HydrophobicContact CE-CD1 3.34Å; M762-I796 HydrophobicContact CE-CG1 3.95Å; M762-I796 HydrophobicContact CE-CG2 4.28Å; M762-L804 HydrophobicContact CE-CD1 4.07Å
763S85.1Confident83.1Confident69 Ų6947.9 Ų47.948%0.48325%0.254SS..Hα-helixtrans-63.5-30.1177.649.70000113.5K761 R767K761-S763 PolarHBondContact O-N 2.99Å; K761-S763 VanDerWaalsContact O-N 3.15Å; S763-R767 PolarHBondContact O-N 3.4Å; S763-R767 VanDerWaalsContact O-N 3.09Å
764E87.2Confident83Confident12 Ų1248.6 Ų48.66%0.05626%0.258CS..Hα-helixtrans-81.4-41.9179.9-60.5176.5117.700110.9L741 L760 K761 M762 H766 R767 C768L741-E764 HydrophobicContact CD2-CB 3.88Å; L741-E764 HydrophobicContact CD2-CG 4.49Å; L760-E764 WeakPolarHBondContact CA-OE2 3.47Å; L760-E764 HydrophobicContact CD2-CB 3.94Å; L760-E764 WeakPolarHBondContact CD2-OE2 3.28Å; K761-E764 HydrophobicContact CB-CG 4.29Å; K761-E764 PolarHBondContact N-OE2 3.35Å; K761-E764 WeakPolarHBondContact O-CB 3.31Å; K761-E764 PolarHBondContact O-N 3.38Å; M762-E764 VanDerWaalsContact C-N 3.26Å; M762-E764 PolarHBondContact O-N 3.41Å; E764-H766 PolarHBondContact O-N 2.94Å; E764-R767 WeakPolarHBondContact O-CA 3.47Å; E764-R767 WeakPolarHBondContact O-CB 3.43Å; E764-R767 PolarHBondContact O-N 3.03Å; E764-C768 PolarHBondContact O-N 2.94Å; E764-C768 PolarHBondContact O-SG 3.26Å; E764-C768 VanDerWaalsContact O-SG 3.33Å
765V87.4Confident83Confident0 Ų046.5 Ų46.50%025%0.248CC..Hα-helixtrans-54.6-44.8169.9176.50000110.1L760 K761 M762 R767 C768 L769 L782 K785 L786 F789L760-V765 HydrophobicContact CB-CG2 4.31Å; L760-V765 HydrophobicContact CD1-CG2 4.45Å; K761-V765 PolarHBondContact O-N 3.26Å; K761-V765 VanDerWaalsContact O-N 3.12Å; M762-V765 PolarHBondContact O-N 2.95Å; V765-R767 PolarHBondContact O-N 2.67Å; V765-C768 PolarHBondContact O-N 3.18Å; V765-L769 HydrophobicContact CG1-CD1 3.97Å; V765-L769 HydrophobicContact CG1-CG 4.48Å; V765-L769 WeakPolarHBondContact O-CG 3.48Å; V765-L769 PolarHBondContact O-N 3.12Å; V765-L782 HydrophobicContact CG1-CD2 4.23Å; V765-K785 HydrophobicContact CG2-CB 4.47Å; V765-K785 HydrophobicContact CG2-CG 4.08Å; V765-L786 HydrophobicContact CG1-CB 4.15Å; V765-L786 HydrophobicContact CG1-CD1 4.42Å; V765-F789 HydrophobicContact CG2-CD2 4.4Å; V765-F789 HydrophobicContact CG2-CE2 3.91Å
766H86.3Confident83.2Confident25 Ų2549.4 Ų49.412%0.11627%0.265CS..Hα-helixtrans-60.1-45.6174.5177.5-166000112.7M762 E764 C768 L769 R770 L804M762-H766 WeakPolarHBondContact O-CB 3.43Å; M762-H766 PolarHBondContact O-N 3.46Å; E764-H766 PolarHBondContact O-N 2.94Å; H766-C768 VanDerWaalsContact C-N 3.32Å; H766-C768 PolarHBondContact O-N 3.42Å; H766-L769 PolarHBondContact O-N 3.24Å; H766-R770 WeakPolarHBondContact NE2-CD 3.35Å; H766-R770 WeakPolarHBondContact O-CG 3.4Å; H766-R770 PolarHBondContact O-N 2.92Å; H766-L804 HydrophobicContact CB-CD1 4.09Å; H766-L804 HydrophobicContact CB-CD2 3.99Å; H766-L804 HydrophobicContact CB-CG 4.26Å; H766-L804 WeakPolarHBondContact CD2-CD2 3.26Å
767R84.4Confident83.5Confident92 Ų9251.7 Ų51.735%0.34728%0.281SS..Hα-helixtrans-60.3-41.3177-168.9-169.8-59135.3-3.3112.1S763 E764 V765 R770 Q771S763-R767 PolarHBondContact O-N 3.4Å; S763-R767 VanDerWaalsContact O-N 3.09Å; E764-R767 WeakPolarHBondContact O-CA 3.47Å; E764-R767 WeakPolarHBondContact O-CB 3.43Å; E764-R767 PolarHBondContact O-N 3.03Å; V765-R767 PolarHBondContact O-N 2.67Å; R767-R770 PolarHBondContact O-N 3.11Å; R767-Q771 PolarHBondContact O-NE2 3.43Å
768C88.2Confident83.8Confident0 Ų051.1 Ų51.10%028%0.277CS..Hα-helixtrans-67.7-45.6179.3-67.40000112M745 E764 V765 H766 R770 Q771 L782M745-C768 HydrophobicContact CG-CB 4.08Å; E764-C768 PolarHBondContact O-N 2.94Å; E764-C768 PolarHBondContact O-SG 3.26Å; E764-C768 VanDerWaalsContact O-SG 3.33Å; V765-C768 PolarHBondContact O-N 3.18Å; H766-C768 VanDerWaalsContact C-N 3.32Å; H766-C768 PolarHBondContact O-N 3.42Å; C768-R770 PolarHBondContact O-N 3.45Å; C768-R770 VanDerWaalsContact O-N 3.14Å; C768-Q771 VanDerWaalsContact O-CB 3.24Å; C768-Q771 WeakPolarHBondContact O-CB 3.5Å; C768-Q771 WeakPolarHBondContact O-CG 3.3Å; C768-Q771 PolarHBondContact O-N 3.15Å; C768-L782 HydrophobicContact CB-CD1 3.75Å; C768-L782 HydrophobicContact CB-CD2 3.9Å
769L87.3Confident84.3Confident0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-64.1-17176.7-71.7171.7000113.4V765 H766 Q771 L782 L783 L786 L804 F807 Y811V765-L769 HydrophobicContact CG1-CD1 3.97Å; V765-L769 HydrophobicContact CG1-CG 4.48Å; V765-L769 WeakPolarHBondContact O-CG 3.48Å; V765-L769 PolarHBondContact O-N 3.12Å; H766-L769 PolarHBondContact O-N 3.24Å; L769-Q771 PolarHBondContact O-N 3.47Å; L769-L782 HydrophobicContact CD2-CB 3.8Å; L769-L782 HydrophobicContact CD2-CD1 4.22Å; L769-L782 HydrophobicContact CG-CB 4.17Å; L769-L782 HydrophobicContact CG-CD1 4.49Å; L769-L783 HydrophobicContact CD1-CD2 4.05Å; L769-L783 HydrophobicContact CD2-CD2 3.93Å; L769-L783 HydrophobicContact CD2-CG 4.29Å; L769-L786 HydrophobicContact CD1-CD2 4.04Å; L769-L804 HydrophobicContact CB-CD2 4.36Å; L769-L804 HydrophobicContact CD1-CD2 4.06Å; L769-F807 VanDerWaalsContact O-CD1 3.26Å; L769-F807 WeakPolarHBondContact O-CD1 3.47Å; L769-Y811 HydrophobicContact CB-CE2 4.23Å; L769-Y811 HydrophobicContact CD2-CD2 3.83Å; L769-Y811 HydrophobicContact CD2-CE2 3.72Å; L769-Y811 WeakPolarHBondContact O-CE2 3.49Å; L769-Y811 PolarHBondContact O-OH 3.43Å
770R84.6Confident85.1Confident144 Ų14445.6 Ų45.654%0.54323%0.233SC..THydrogen-bonded Turntrans-77.9-6.2172.5-71.1-179.865.6-171.4-0.1113.4H766 R767 C768 F807H766-R770 WeakPolarHBondContact NE2-CD 3.35Å; H766-R770 WeakPolarHBondContact O-CG 3.4Å; H766-R770 PolarHBondContact O-N 2.92Å; R767-R770 PolarHBondContact O-N 3.11Å; C768-R770 PolarHBondContact O-N 3.45Å; C768-R770 VanDerWaalsContact O-N 3.14Å; R770-F807 HydrophobicContact CB-CE1 4.38Å; R770-F807 HydrophobicContact CB-CZ 4.23Å; R770-F807 HydrophobicContact CG-CD2 4.05Å; R770-F807 HydrophobicContact CG-CE1 4.3Å; R770-F807 HydrophobicContact CG-CE2 3.65Å; R770-F807 HydrophobicContact CG-CZ 3.79Å
771Q77.1Confident85.5Confident41 Ų4147.5 Ų47.519%0.19224%0.24CC..  trans-89.2117.1-176.2-63.6171.32300111S742 R767 C768 L769 Y811S742-Q771 VanDerWaalsContact CA-OE1 3.24Å; S742-Q771 VanDerWaalsContact CB-CD 3.47Å; S742-Q771 PolarHBondContact O-OE1 3.48Å; S742-Q771 PolarHBondContact OG-NE2 3.25Å; R767-Q771 PolarHBondContact O-NE2 3.43Å; C768-Q771 VanDerWaalsContact O-CB 3.24Å; C768-Q771 WeakPolarHBondContact O-CB 3.5Å; C768-Q771 WeakPolarHBondContact O-CG 3.3Å; C768-Q771 PolarHBondContact O-N 3.15Å; L769-Q771 PolarHBondContact O-N 3.47Å; Q771-Y811 PolarHBondContact O-OH 3.03Å
772F69.5Low85.8Confident158 Ų15842.5 Ų42.569%0.69322%0.218SC*.THydrogen-bonded Turntrans-67143.3171.7-65.2-77.7000110.8F807F772-F807 HydrophobicContact CZ-CE1 4.32Å
773G74.4Confident86.2Confident52 Ų5241.8 Ų41.854%0.53621%0.214SC..THydrogen-bonded Turntrans9410.5174.700000116.3
774L84.3Confident86.6Confident15 Ų1539.7 Ų39.78%0.07920%0.204CC..  trans-60.4134.5171.6-69178.1000111.3M745 V746 L782 Y811M745-L774 HydrophobicContact CB-CD2 3.58Å; M745-L774 WeakPolarHBondContact O-CD2 3.27Å; V746-L774 HydrophobicContact CG2-CD2 4.29Å; L774-L782 HydrophobicContact CD1-CD1 3.66Å; L774-Y811 HydrophobicContact CB-CE1 4.11Å; L774-Y811 HydrophobicContact CD1-CE1 4.23Å; L774-Y811 WeakPolarHBondContact CD1-OH 3.44Å
775P85.9Confident86.8Confident29 Ų2941.7 Ų41.719%0.18821%0.212CC..  trans-55.1138.6165.3-23.734.2000110.6S777 N778 A779P775-S777 PolarHBondContact O-N 2.89Å; P775-N778 HydrophobicContact CB-CB 4.39Å; P775-N778 PolarHBondContact O-N 3.25Å; P775-A779 PolarHBondContact O-N 2.99Å
776I87.3Confident86.9Confident90 Ų9041.7 Ų41.746%0.46221%0.212SC..Hα-helixtrans-55.8-40.5-178.5-63.8168.4000110.6N778 A779 N780 N814 A816I776-N778 VanDerWaalsContact C-N 3.28Å; I776-N778 PolarHBondContact O-N 2.96Å; I776-A779 WeakPolarHBondContact O-CB 3.35Å; I776-A779 PolarHBondContact O-N 3.21Å; I776-N780 PolarHBondContact O-N 3.13Å; I776-N780 PolarHBondContact O-OD1 3.27Å; I776-N814 VanDerWaalsContact CD1-O 3.32Å; I776-N814 WeakPolarHBondContact CD1-O 3.46Å; I776-A816 HydrophobicContact CG2-CB 4.26Å
777S88.5Confident87.2Confident51 Ų5141.7 Ų41.736%0.35721%0.213SC..Hα-helixtrans-56.3-39.2175.251.90000113.3P775 N780 R781P775-S777 PolarHBondContact O-N 2.89Å; S777-N780 WeakPolarHBondContact O-CB 3.4Å; S777-R781 WeakPolarHBondContact O-CG 3.49Å; S777-R781 PolarHBondContact O-N 2.9Å
778N90.8Very high87.5Confident1 Ų141.7 Ų41.71%0.00522%0.22CC..Hα-helixtrans-80.1-34.8-179.9-61.8-7.7000111.1M745 S747 V753 P775 I776 N780 R781 L782M745-N778 WeakPolarHBondContact O-CB 3.19Å; M745-N778 PolarHBondContact O-ND2 3.02Å; S747-N778 PolarHBondContact O-ND2 3.17Å; V753-N778 HydrophobicContact CG1-CB 4.3Å; P775-N778 HydrophobicContact CB-CB 4.39Å; P775-N778 PolarHBondContact O-N 3.25Å; I776-N778 VanDerWaalsContact C-N 3.28Å; I776-N778 PolarHBondContact O-N 2.96Å; N778-N780 VanDerWaalsContact C-N 3.31Å; N778-N780 PolarHBondContact O-N 3.38Å; N778-R781 PolarHBondContact O-N 2.84Å; N778-L782 PolarHBondContact O-N 2.93Å
779A91Very high87.6Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-59.4-43.117000000111P775 I776 R781 L782 L783 Y811 A816P775-A779 PolarHBondContact O-N 2.99Å; I776-A779 WeakPolarHBondContact O-CB 3.35Å; I776-A779 PolarHBondContact O-N 3.21Å; A779-R781 VanDerWaalsContact C-N 3.27Å; A779-R781 PolarHBondContact O-N 2.94Å; A779-L782 PolarHBondContact O-N 3.44Å; A779-L783 WeakPolarHBondContact O-CB 3.06Å; A779-L783 VanDerWaalsContact O-CG 3.29Å; A779-L783 WeakPolarHBondContact O-CG 3.24Å; A779-L783 PolarHBondContact O-N 3.28Å; A779-Y811 HydrophobicContact CB-CD1 3.77Å; A779-Y811 HydrophobicContact CB-CE1 4.28Å; A779-Y811 HydrophobicContact CB-CG 4.06Å; A779-A816 HydrophobicContact CB-CB 4.12Å
780N93.6Very high87.5Confident44 Ų4444 Ų4424%0.23523%0.231CC..Hα-helixtrans-54.5-46175.2-63.4-7000111.6I776 S777 N778 L783 G784 A816 L817I776-N780 PolarHBondContact O-N 3.13Å; I776-N780 PolarHBondContact O-OD1 3.27Å; S777-N780 WeakPolarHBondContact O-CB 3.4Å; N778-N780 VanDerWaalsContact C-N 3.31Å; N778-N780 PolarHBondContact O-N 3.38Å; N780-L783 PolarHBondContact O-N 3.21Å; N780-G784 PolarHBondContact O-N 2.88Å; N780-A816 WeakPolarHBondContact OD1-CA 3.29Å; N780-A816 VanDerWaalsContact OD1-CB 3.28Å; N780-A816 WeakPolarHBondContact OD1-CB 3.35Å; N780-L817 VanDerWaalsContact CA-O 3.31Å; N780-L817 WeakPolarHBondContact CA-O 3.22Å; N780-L817 PolarHBondContact OD1-N 3.02Å
781R92.7Very high87.6Confident54 Ų5441 Ų4120%0.20424%0.236CC..Hα-helixtrans-65.4-42-179.6-68.1169.3143.31130112.2E750 D754 L757 S777 N778 A779 G784 K785E750-R781 IonicContact OE2-CZ 2.77Å; E750-R781 IonicContact OE2-NH1 3.43Å; E750-R781 PolarHBondContact OE2-NH1 3.23Å; E750-R781 IonicContact OE2-NH2 2.8Å; E750-R781 PolarHBondContact OE2-NH2 2.76Å; E750-R781 VanDerWaalsContact OE2-NH2 3.09Å; D754-R781 IonicContact OD1-CZ 3.09Å; D754-R781 IonicContact OD1-NE 2.75Å; D754-R781 PolarHBondContact OD1-NE 3.36Å; D754-R781 IonicContact OD1-NH2 2.92Å; D754-R781 PolarHBondContact OD1-NH2 3.48Å; D754-R781 IonicContact OD2-CZ 3.01Å; D754-R781 IonicContact OD2-NE 3.19Å; D754-R781 IonicContact OD2-NH2 3.52Å; D754-R781 PolarHBondContact OD2-NH2 3.03Å; L757-R781 HydrophobicContact CD1-CB 3.5Å; L757-R781 VanDerWaalsContact CD1-CB 3.5Å; L757-R781 HydrophobicContact CD1-CG 4.2Å; S777-R781 WeakPolarHBondContact O-CG 3.49Å; S777-R781 PolarHBondContact O-N 2.9Å; N778-R781 PolarHBondContact O-N 2.84Å; A779-R781 VanDerWaalsContact C-N 3.27Å; A779-R781 PolarHBondContact O-N 2.94Å; R781-G784 PolarHBondContact O-N 2.59Å; R781-K785 WeakPolarHBondContact O-CB 3.48Å; R781-K785 PolarHBondContact O-N 3.42Å
782L92.7Very high87.9Confident0 Ų045 Ų450%026%0.264CS..Hα-helixtrans-65.9-40.4176-75.8166.9000112.4M745 L757 V765 C768 L769 L774 N778 A779 K785 L786M745-L782 HydrophobicContact CG-CD1 4.31Å; M745-L782 HydrophobicContact SD-CD1 4.13Å; M745-L782 HydrophobicContact SD-CD2 3.94Å; M745-L782 HydrophobicContact SD-CG 4.1Å; L757-L782 HydrophobicContact CD2-CD2 3.73Å; L757-L782 HydrophobicContact CD2-CG 4.27Å; V765-L782 HydrophobicContact CG1-CD2 4.23Å; C768-L782 HydrophobicContact CB-CD1 3.75Å; C768-L782 HydrophobicContact CB-CD2 3.9Å; L769-L782 HydrophobicContact CD2-CB 3.8Å; L769-L782 HydrophobicContact CD2-CD1 4.22Å; L769-L782 HydrophobicContact CG-CB 4.17Å; L769-L782 HydrophobicContact CG-CD1 4.49Å; L774-L782 HydrophobicContact CD1-CD1 3.66Å; N778-L782 PolarHBondContact O-N 2.93Å; A779-L782 PolarHBondContact O-N 3.44Å; L782-K785 PolarHBondContact O-N 2.98Å; L782-L786 WeakPolarHBondContact O-CB 3.5Å; L782-L786 PolarHBondContact O-N 3.38Å
783L93Very high88.4Confident0 Ų045.7 Ų45.70%026%0.262CS..Hα-helixtrans-68.7-39176.6-68.4179.3000112L769 A779 N780 K785 L786 D787 V808 R812 A816L769-L783 HydrophobicContact CD1-CD2 4.05Å; L769-L783 HydrophobicContact CD2-CD2 3.93Å; L769-L783 HydrophobicContact CD2-CG 4.29Å; A779-L783 WeakPolarHBondContact O-CB 3.06Å; A779-L783 VanDerWaalsContact O-CG 3.29Å; A779-L783 WeakPolarHBondContact O-CG 3.24Å; A779-L783 PolarHBondContact O-N 3.28Å; N780-L783 PolarHBondContact O-N 3.21Å; L783-K785 VanDerWaalsContact C-N 3.34Å; L783-L786 HydrophobicContact CD2-CD2 4.32Å; L783-L786 WeakPolarHBondContact O-CB 3.24Å; L783-L786 PolarHBondContact O-N 2.91Å; L783-D787 PolarHBondContact O-N 3.49Å; L783-V808 HydrophobicContact CD2-CB 4.21Å; L783-V808 HydrophobicContact CD2-CG1 4.01Å; L783-V808 HydrophobicContact CD2-CG2 3.8Å; L783-R812 HydrophobicContact CD1-CG 4.26Å; L783-A816 HydrophobicContact CD1-CB 3.86Å
784G92.7Very high88.1Confident26 Ų2646 Ų4627%0.26827%0.265SS..Hα-helixtrans-60.8-43.9170.400000111.7N780 R781 L786 D787 D788N780-G784 PolarHBondContact O-N 2.88Å; R781-G784 PolarHBondContact O-N 2.59Å; G784-L786 VanDerWaalsContact C-N 3.3Å; G784-L786 PolarHBondContact O-N 3.04Å; G784-D787 WeakPolarHBondContact O-CB 3.47Å; G784-D787 PolarHBondContact O-N 3.42Å; G784-D788 PolarHBondContact O-N 3.32Å
785K91.2Very high87.4Confident53 Ų5349.5 Ų49.523%0.2329%0.29CS..Hα-helixtrans-63.9-36.1175.8-163.469.1177.4179.70112.7L757 V765 R781 L782 L783 D788 F789L757-K785 WeakPolarHBondContact O-CE 3.37Å; V765-K785 HydrophobicContact CG2-CB 4.47Å; V765-K785 HydrophobicContact CG2-CG 4.08Å; R781-K785 WeakPolarHBondContact O-CB 3.48Å; R781-K785 PolarHBondContact O-N 3.42Å; L782-K785 PolarHBondContact O-N 2.98Å; L783-K785 VanDerWaalsContact C-N 3.34Å; K785-D788 WeakPolarHBondContact O-CB 3.21Å; K785-D788 PolarHBondContact O-N 3.25Å; K785-F789 HydrophobicContact CG-CD2 4.44Å; K785-F789 HydrophobicContact CG-CE2 3.84Å; K785-F789 WeakPolarHBondContact O-CD2 3.47Å; K785-F789 PolarHBondContact O-N 3.32Å
786L90.5Very high86.7Confident0 Ų048.9 Ų48.90%029%0.285CS..Hα-helixtrans-62.5-44.7174.1-178.866.1000111M762 V765 L769 L782 L783 G784 D788 F789 V790 L804 V808 F822M762-L786 HydrophobicContact CE-CD1 3.16Å; M762-L786 HydrophobicContact SD-CD1 3.62Å; V765-L786 HydrophobicContact CG1-CB 4.15Å; V765-L786 HydrophobicContact CG1-CD1 4.42Å; L769-L786 HydrophobicContact CD1-CD2 4.04Å; L782-L786 WeakPolarHBondContact O-CB 3.5Å; L782-L786 PolarHBondContact O-N 3.38Å; L783-L786 HydrophobicContact CD2-CD2 4.32Å; L783-L786 WeakPolarHBondContact O-CB 3.24Å; L783-L786 PolarHBondContact O-N 2.91Å; G784-L786 VanDerWaalsContact C-N 3.3Å; G784-L786 PolarHBondContact O-N 3.04Å; L786-D788 VanDerWaalsContact C-N 3.35Å; L786-D788 PolarHBondContact O-N 3.35Å; L786-F789 PolarHBondContact O-N 3.33Å; L786-V790 VanDerWaalsContact O-CG2 3.26Å; L786-V790 WeakPolarHBondContact O-CG2 3.32Å; L786-V790 PolarHBondContact O-N 3.34Å; L786-V790 VanDerWaalsContact O-N 3.09Å; L786-L804 HydrophobicContact CD1-CD1 4.14Å; L786-V808 HydrophobicContact CD2-CG2 3.62Å; L786-F822 HydrophobicContact CD1-CD2 3.93Å; L786-F822 HydrophobicContact CD1-CE2 4.4Å; L786-F822 HydrophobicContact CD2-CB 3.91Å; L786-F822 HydrophobicContact CD2-CD1 4.2Å; L786-F822 HydrophobicContact CD2-CD2 3.75Å; L786-F822 HydrophobicContact CD2-CE2 4.37Å; L786-F822 HydrophobicContact CD2-CG 3.66Å; L786-F822 HydrophobicContact CG-CB 4.03Å; L786-F822 HydrophobicContact CG-CD2 3.84Å; L786-F822 HydrophobicContact CG-CG 4.05Å
787D91.9Very high86.3Confident25 Ų2548.7 Ų48.713%0.13429%0.285CS..Hα-helixtrans-62.7-40175.9-77.6-20.1000112.2L783 G784 F789 V790 A791 G819 D820 A821 F822L783-D787 PolarHBondContact O-N 3.49Å; G784-D787 WeakPolarHBondContact O-CB 3.47Å; G784-D787 PolarHBondContact O-N 3.42Å; D787-F789 VanDerWaalsContact C-N 3.29Å; D787-F789 PolarHBondContact O-N 2.74Å; D787-V790 PolarHBondContact O-N 3.49Å; D787-A791 WeakPolarHBondContact O-CB 3.41Å; D787-A791 PolarHBondContact O-N 2.92Å; D787-G819 VanDerWaalsContact CG-N 3.35Å; D787-G819 WeakPolarHBondContact OD1-CA 3.32Å; D787-G819 VanDerWaalsContact OD2-CA 3.31Å; D787-G819 WeakPolarHBondContact OD2-CA 3.29Å; D787-G819 PolarHBondContact OD2-N 3.31Å; D787-D820 PolarHBondContact OD1-N 3.12Å; D787-D820 PolarHBondContact OD2-N 3.35Å; D787-A821 HydrophobicContact CB-CB 3.87Å; D787-A821 WeakPolarHBondContact OD1-CA 3.45Å; D787-A821 WeakPolarHBondContact OD1-CB 3.18Å; D787-A821 PolarHBondContact OD1-N 3.04Å; D787-F822 PolarHBondContact OD1-N 3.26Å
788D91Very high85.6Confident92 Ų9253 Ų5349%0.49231%0.305SS..Hα-helixtrans-57.7-42.7173.7-66.3-22.6000111.3G784 K785 L786 A791 V792G784-D788 PolarHBondContact O-N 3.32Å; K785-D788 WeakPolarHBondContact O-CB 3.21Å; K785-D788 PolarHBondContact O-N 3.25Å; L786-D788 VanDerWaalsContact C-N 3.35Å; L786-D788 PolarHBondContact O-N 3.35Å; D788-A791 PolarHBondContact O-N 3.43Å; D788-V792 VanDerWaalsContact O-CG2 3.3Å; D788-V792 WeakPolarHBondContact O-CG2 3.49Å; D788-V792 PolarHBondContact O-N 3.48Å
789F89Confident84.9Confident42 Ų4259.7 Ų59.718%0.18434%0.336CS..Hα-helixtrans-65-40.4177.2-77.6-55.7000113L760 M762 V765 K785 L786 D787 V792 R793L760-F789 WeakPolarHBondContact O-CZ 3.29Å; M762-F789 HydrophobicContact CB-CD2 4.34Å; M762-F789 HydrophobicContact CB-CG 4.34Å; M762-F789 HydrophobicContact SD-CB 3.58Å; M762-F789 VanDerWaalsContact SD-CB 3.58Å; M762-F789 HydrophobicContact SD-CD2 3.75Å; M762-F789 HydrophobicContact SD-CG 3.83Å; V765-F789 HydrophobicContact CG2-CD2 4.4Å; V765-F789 HydrophobicContact CG2-CE2 3.91Å; K785-F789 HydrophobicContact CG-CD2 4.44Å; K785-F789 HydrophobicContact CG-CE2 3.84Å; K785-F789 WeakPolarHBondContact O-CD2 3.47Å; K785-F789 PolarHBondContact O-N 3.32Å; L786-F789 PolarHBondContact O-N 3.33Å; D787-F789 VanDerWaalsContact C-N 3.29Å; D787-F789 PolarHBondContact O-N 2.74Å; F789-V792 PolarHBondContact O-N 3.04Å; F789-R793 WeakPolarHBondContact O-CB 3.45Å; F789-R793 PolarHBondContact O-N 3.02Å
790V86.3Confident84.1Confident8 Ų861.2 Ų61.25%0.04835%0.345CS..Hα-helixtrans-63.2-45.9176.5179.90000109.8L786 D787 V792 R793 G794 I796 A821 F822L786-V790 VanDerWaalsContact O-CG2 3.26Å; L786-V790 WeakPolarHBondContact O-CG2 3.32Å; L786-V790 PolarHBondContact O-N 3.34Å; L786-V790 VanDerWaalsContact O-N 3.09Å; D787-V790 PolarHBondContact O-N 3.49Å; V790-V792 VanDerWaalsContact C-N 3.27Å; V790-V792 PolarHBondContact O-N 3.17Å; V790-R793 PolarHBondContact O-N 3.36Å; V790-G794 WeakPolarHBondContact O-CA 3.39Å; V790-G794 PolarHBondContact O-N 3.35Å; V790-I796 HydrophobicContact CG2-CD1 3.42Å; V790-I796 VanDerWaalsContact CG2-CD1 3.42Å; V790-I796 HydrophobicContact CG2-CG1 4.37Å; V790-A821 HydrophobicContact CB-CB 4.28Å; V790-A821 HydrophobicContact CG1-CB 4.26Å; V790-F822 HydrophobicContact CG2-CB 3.82Å; V790-F822 HydrophobicContact CG2-CD2 3.99Å; V790-F822 HydrophobicContact CG2-CG 4.41Å
791A85.6Confident83.3Confident79 Ų7959.6 Ų59.665%0.65334%0.337SS*.Hα-helixtrans-60.7-37.1179.600000112.1D787 D788D787-A791 WeakPolarHBondContact O-CB 3.41Å; D787-A791 PolarHBondContact O-N 2.92Å; D788-A791 PolarHBondContact O-N 3.43Å
792V84.5Confident82.5Confident127 Ų12764.2 Ų64.277%0.7736%0.359SS*.Hα-helixtrans-79.8-41.8179.3174.40000112.9D788 F789 V790D788-V792 VanDerWaalsContact O-CG2 3.3Å; D788-V792 WeakPolarHBondContact O-CG2 3.49Å; D788-V792 PolarHBondContact O-N 3.48Å; F789-V792 PolarHBondContact O-N 3.04Å; V790-V792 VanDerWaalsContact C-N 3.27Å; V790-V792 PolarHBondContact O-N 3.17Å
793R79.8Confident81.8Confident172 Ų17269.3 Ų69.365%0.64938%0.381SS*.Hα-helixtrans-85.6-20.2-176.6-74.4-172.9173.9-168.6-2114.2F789 V790 S795F789-R793 WeakPolarHBondContact O-CB 3.45Å; F789-R793 PolarHBondContact O-N 3.02Å; V790-R793 PolarHBondContact O-N 3.36Å; R793-S795 PolarHBondContact O-N 3.28Å
794G68.6Low81.4Confident59 Ų5969.3 Ų69.361%0.60838%0.381SS*.SBendtrans74.5-31.1-177.300000115.2V790V790-G794 WeakPolarHBondContact O-CA 3.39Å; V790-G794 PolarHBondContact O-N 3.35Å
795S69.7Low81Confident87 Ų8769.8 Ų69.861%0.60838%0.376SS*.  trans-151.3144.6177.8170.70000111.6R793R793-S795 PolarHBondContact O-N 3.28Å
796I71.3Confident80.8Confident17 Ų1773.8 Ų73.89%0.08740%0.396CS..  trans-110144173.4-62.5165.8000107.4M762 V790 D798 T800 F822M762-I796 HydrophobicContact CE-CD1 3.34Å; M762-I796 HydrophobicContact CE-CG1 3.95Å; M762-I796 HydrophobicContact CE-CG2 4.28Å; V790-I796 HydrophobicContact CG2-CD1 3.42Å; V790-I796 VanDerWaalsContact CG2-CD1 3.42Å; V790-I796 HydrophobicContact CG2-CG1 4.37Å; I796-D798 PolarHBondContact O-N 3.15Å; I796-T800 HydrophobicContact CG2-CG2 4.25Å; I796-F822 HydrophobicContact CD1-CD2 3.35Å; I796-F822 HydrophobicContact CD1-CE2 3.5Å
797D77.8Confident80.7Confident85 Ų8575.6 Ų75.646%0.45540%0.403SS..  trans-56.7135.8175.860.8-57.7000111.8Q799 T800 S801D797-Q799 PolarHBondContact O-N 3.04Å; D797-T800 VanDerWaalsContact CG-CB 3.46Å; D797-T800 PolarHBondContact O-N 3.25Å; D797-T800 WeakPolarHBondContact OD1-CB 3.18Å; D797-T800 PolarHBondContact OD1-OG1 3.49Å; D797-T800 VanDerWaalsContact OD1-OG1 3.05Å; D797-T800 WeakPolarHBondContact OD2-CB 3.38Å; D797-T800 PolarHBondContact OD2-N 3.44Å; D797-T800 VanDerWaalsContact OD2-N 3.13Å; D797-T800 PolarHBondContact OD2-OG1 3.41Å; D797-S801 WeakPolarHBondContact O-CB 3.4Å; D797-S801 PolarHBondContact O-N 3.44Å
798D74Confident80.5Confident143 Ų14374.4 Ų74.477%0.76540%0.397SS*.Hα-helixtrans-53.5-34.5-175-67.2-26.2000112.9I796 F802I796-D798 PolarHBondContact O-N 3.15Å; D798-F802 VanDerWaalsContact O-CB 3.29Å; D798-F802 WeakPolarHBondContact O-CB 3.35Å; D798-F802 PolarHBondContact O-N 2.92Å
799Q75.7Confident80.4Confident141 Ų14173 Ų7366%0.65939%0.389SS*.Hα-helixtrans-68.5-43.7179.9-125.5-169.719.700112.9D797 K803D797-Q799 PolarHBondContact O-N 3.04Å; Q799-K803 WeakPolarHBondContact O-CG 3.09Å; Q799-K803 PolarHBondContact O-N 3.48Å
800T74Confident80.3Confident31 Ų3175.1 Ų75.119%0.1940%0.399CS..Hα-helixtrans-73.9-37.7176.1-58.70000110.9I796 D797 K803 L804I796-T800 HydrophobicContact CG2-CG2 4.25Å; D797-T800 VanDerWaalsContact CG-CB 3.46Å; D797-T800 PolarHBondContact O-N 3.25Å; D797-T800 WeakPolarHBondContact OD1-CB 3.18Å; D797-T800 PolarHBondContact OD1-OG1 3.49Å; D797-T800 VanDerWaalsContact OD1-OG1 3.05Å; D797-T800 WeakPolarHBondContact OD2-CB 3.38Å; D797-T800 PolarHBondContact OD2-N 3.44Å; D797-T800 VanDerWaalsContact OD2-N 3.13Å; D797-T800 PolarHBondContact OD2-OG1 3.41Å; T800-K803 PolarHBondContact O-N 3.03Å; T800-L804 HydrophobicContact CG2-CD1 3.83Å; T800-L804 HydrophobicContact CG2-CG 4.49Å; T800-L804 WeakPolarHBondContact O-CB 3.43Å; T800-L804 PolarHBondContact O-N 2.87Å
801S76.5Confident80.4Confident10 Ų1075.3 Ų75.37%0.0740%0.399CS..Hα-helixtrans-55.1-53.5173.8179.90000111.3D797 K803 L804 H805 S826D797-S801 WeakPolarHBondContact O-CB 3.4Å; D797-S801 PolarHBondContact O-N 3.44Å; S801-K803 PolarHBondContact O-N 2.74Å; S801-L804 PolarHBondContact O-N 2.68Å; S801-H805 WeakPolarHBondContact O-CB 3.38Å; S801-H805 PolarHBondContact O-N 2.82Å; S801-S826 WeakPolarHBondContact OG-CB 3.36Å
802F77.5Confident80.6Confident152 Ų15275 Ų7567%0.66738%0.38SS*.Hα-helixtrans-59.1-43.6179.1-177.2-98.2000112.8D798 L804D798-F802 VanDerWaalsContact O-CB 3.29Å; D798-F802 WeakPolarHBondContact O-CB 3.35Å; D798-F802 PolarHBondContact O-N 2.92Å; F802-L804 PolarHBondContact O-N 2.94Å
803K78.2Confident80.7Confident107 Ų10772.5 Ų72.547%0.46537%0.369SS..Hα-helixtrans-66.3-37179.8-75.1174.7-178.8171.10112.8Q799 T800 S801 F807Q799-K803 WeakPolarHBondContact O-CG 3.09Å; Q799-K803 PolarHBondContact O-N 3.48Å; T800-K803 PolarHBondContact O-N 3.03Å; S801-K803 PolarHBondContact O-N 2.74Å; K803-F807 WeakPolarHBondContact O-CD2 3.26Å; K803-F807 WeakPolarHBondContact O-CE2 3.26Å
804L83.1Confident81Confident0 Ų068.4 Ų68.40%036%0.36CS..Hα-helixtrans-80.3-30.7-178.8-86.6171.1000113.4M762 H766 L769 L786 T800 S801 F802 Q806 F807 V808 F822M762-L804 HydrophobicContact CE-CD1 4.07Å; H766-L804 HydrophobicContact CB-CD1 4.09Å; H766-L804 HydrophobicContact CB-CD2 3.99Å; H766-L804 HydrophobicContact CB-CG 4.26Å; H766-L804 WeakPolarHBondContact CD2-CD2 3.26Å; L769-L804 HydrophobicContact CB-CD2 4.36Å; L769-L804 HydrophobicContact CD1-CD2 4.06Å; L786-L804 HydrophobicContact CD1-CD1 4.14Å; T800-L804 HydrophobicContact CG2-CD1 3.83Å; T800-L804 HydrophobicContact CG2-CG 4.49Å; T800-L804 WeakPolarHBondContact O-CB 3.43Å; T800-L804 PolarHBondContact O-N 2.87Å; S801-L804 PolarHBondContact O-N 2.68Å; F802-L804 PolarHBondContact O-N 2.94Å; L804-Q806 VanDerWaalsContact C-N 3.27Å; L804-Q806 PolarHBondContact O-N 2.99Å; L804-F807 PolarHBondContact O-N 3.3Å; L804-V808 WeakPolarHBondContact O-CG2 3.3Å; L804-V808 PolarHBondContact O-N 3.3Å; L804-F822 HydrophobicContact CB-CE1 4.11Å; L804-F822 HydrophobicContact CB-CE2 4.02Å; L804-F822 HydrophobicContact CB-CZ 3.44Å; L804-F822 VanDerWaalsContact CB-CZ 3.44Å; L804-F822 HydrophobicContact CD1-CE2 3.97Å; L804-F822 HydrophobicContact CD1-CZ 4.27Å
805H85.7Confident81.9Confident36 Ų3667.9 Ų67.917%0.16735%0.354CS..Hα-helixtrans-51.1-46.2-173.8-163.187.5000112.7S801 F807 V808 L809 F822 L823 S826 S828S801-H805 WeakPolarHBondContact O-CB 3.38Å; S801-H805 PolarHBondContact O-N 2.82Å; H805-F807 PolarHBondContact O-N 2.84Å; H805-V808 PolarHBondContact O-N 3.44Å; H805-L809 WeakPolarHBondContact O-CG 3.32Å; H805-L809 PolarHBondContact O-N 3.08Å; H805-F822 HydrophobicContact CB-CE1 4.49Å; H805-L823 WeakPolarHBondContact CE1-CD2 3.48Å; H805-S826 PolarHBondContact CE1-OG 3.22Å; H805-S826 PolarHBondContact ND1-OG 2.94Å; H805-S826 VanDerWaalsContact ND1-OG 3.08Å; H805-S828 VanDerWaalsContact CE1-CB 3.47Å; H805-S828 WeakPolarHBondContact CE1-CB 3.43Å
806Q86.1Confident82.9Confident136 Ų13664 Ų6464%0.63633%0.327SS*.Hα-helixtrans-64.5-38.2179.2-67.5-176.1-20.700113L804 F810L804-Q806 VanDerWaalsContact C-N 3.27Å; L804-Q806 PolarHBondContact O-N 2.99Å; Q806-F810 VanDerWaalsContact O-CB 3.24Å; Q806-F810 WeakPolarHBondContact O-CB 3.42Å; Q806-F810 PolarHBondContact O-N 3.32Å
807F87.8Confident83.6Confident38 Ų3869 Ų6917%0.16735%0.354CS..Hα-helixtrans-70.4-41.1177.9-65.8-76.6000111.7L769 R770 F772 K803 L804 H805 F810 Y811L769-F807 VanDerWaalsContact O-CD1 3.26Å; L769-F807 WeakPolarHBondContact O-CD1 3.47Å; R770-F807 HydrophobicContact CB-CE1 4.38Å; R770-F807 HydrophobicContact CB-CZ 4.23Å; R770-F807 HydrophobicContact CG-CD2 4.05Å; R770-F807 HydrophobicContact CG-CE1 4.3Å; R770-F807 HydrophobicContact CG-CE2 3.65Å; R770-F807 HydrophobicContact CG-CZ 3.79Å; F772-F807 HydrophobicContact CZ-CE1 4.32Å; K803-F807 WeakPolarHBondContact O-CD2 3.26Å; K803-F807 WeakPolarHBondContact O-CE2 3.26Å; L804-F807 PolarHBondContact O-N 3.3Å; H805-F807 PolarHBondContact O-N 2.84Å; F807-F810 WeakPolarHBondContact O-CB 3.42Å; F807-F810 PolarHBondContact O-N 3.46Å; F807-Y811 HydrophobicContact CB-CE2 4.36Å; F807-Y811 WeakPolarHBondContact O-CD2 3.45Å; F807-Y811 PolarHBondContact O-N 3.28Å
808V88Confident84.2Confident0 Ų065.7 Ų65.70%034%0.34CS..Hα-helixtrans-61.2-48.5177.4175.70000110.5L783 L786 L804 H805 F810 Y811 R812 F822 L823L783-V808 HydrophobicContact CD2-CB 4.21Å; L783-V808 HydrophobicContact CD2-CG1 4.01Å; L783-V808 HydrophobicContact CD2-CG2 3.8Å; L786-V808 HydrophobicContact CD2-CG2 3.62Å; L804-V808 WeakPolarHBondContact O-CG2 3.3Å; L804-V808 PolarHBondContact O-N 3.3Å; H805-V808 PolarHBondContact O-N 3.44Å; V808-F810 VanDerWaalsContact C-N 3.33Å; V808-F810 PolarHBondContact O-N 3.12Å; V808-Y811 PolarHBondContact O-N 2.73Å; V808-R812 WeakPolarHBondContact O-CB 3.31Å; V808-R812 WeakPolarHBondContact O-CG 3.32Å; V808-R812 PolarHBondContact O-N 3.09Å; V808-F822 HydrophobicContact CB-CD1 4.39Å; V808-F822 HydrophobicContact CG1-CD1 4.43Å; V808-F822 HydrophobicContact CG2-CD1 3.84Å; V808-F822 HydrophobicContact CG2-CE1 4Å; V808-L823 HydrophobicContact CG1-CD1 4.1Å; V808-L823 HydrophobicContact CG1-CD2 4.09Å; V808-L823 HydrophobicContact CG1-CG 3.94Å
809L88.5Confident84.8Confident63 Ų6358.9 Ų58.933%0.3330%0.303SS..Hα-helixtrans-61.1-42.4175.6-69.9-178.5000111.8H805 R812 S813 L823H805-L809 WeakPolarHBondContact O-CG 3.32Å; H805-L809 PolarHBondContact O-N 3.08Å; L809-R812 PolarHBondContact O-N 3.34Å; L809-S813 WeakPolarHBondContact O-CB 3.34Å; L809-S813 PolarHBondContact O-N 3.01Å; L809-S813 PolarHBondContact O-OG 2.63Å; L809-L823 HydrophobicContact CD2-CD1 4.03Å; L809-L823 HydrophobicContact CD2-CD2 3.89Å; L809-L823 HydrophobicContact CG-CD2 4.21Å
810F87.5Confident85.5Confident87 Ų8755.5 Ų55.538%0.38229%0.29SS..Hα-helixtrans-59.3-48.3177.5173-95.6000112.5Q806 F807 V808 S813 N814Q806-F810 VanDerWaalsContact O-CB 3.24Å; Q806-F810 WeakPolarHBondContact O-CB 3.42Å; Q806-F810 PolarHBondContact O-N 3.32Å; F807-F810 WeakPolarHBondContact O-CB 3.42Å; F807-F810 PolarHBondContact O-N 3.46Å; V808-F810 VanDerWaalsContact C-N 3.33Å; V808-F810 PolarHBondContact O-N 3.12Å; F810-S813 PolarHBondContact O-OG 2.95Å; F810-N814 PolarHBondContact O-N 3.35Å; F810-N814 PolarHBondContact O-ND2 2.91Å
811Y88.7Confident86Confident11 Ų1155 Ų554%0.04329%0.289CS..Hα-helixtrans-67.4-40.4178.7-71-66.5000111.7L769 Q771 L774 A779 F807 V808 N814 G815 A816L769-Y811 HydrophobicContact CB-CE2 4.23Å; L769-Y811 HydrophobicContact CD2-CD2 3.83Å; L769-Y811 HydrophobicContact CD2-CE2 3.72Å; L769-Y811 WeakPolarHBondContact O-CE2 3.49Å; L769-Y811 PolarHBondContact O-OH 3.43Å; Q771-Y811 PolarHBondContact O-OH 3.03Å; L774-Y811 HydrophobicContact CB-CE1 4.11Å; L774-Y811 HydrophobicContact CD1-CE1 4.23Å; L774-Y811 WeakPolarHBondContact CD1-OH 3.44Å; A779-Y811 HydrophobicContact CB-CD1 3.77Å; A779-Y811 HydrophobicContact CB-CE1 4.28Å; A779-Y811 HydrophobicContact CB-CG 4.06Å; F807-Y811 HydrophobicContact CB-CE2 4.36Å; F807-Y811 WeakPolarHBondContact O-CD2 3.45Å; F807-Y811 PolarHBondContact O-N 3.28Å; V808-Y811 PolarHBondContact O-N 2.73Å; Y811-N814 CarbonylContact O-C 3.6Å; Y811-N814 WeakPolarHBondContact O-CA 3.45Å; Y811-N814 PolarHBondContact O-N 3.15Å; Y811-G815 PolarHBondContact O-N 2.76Å; Y811-A816 VanDerWaalsContact C-CB 3.49Å; Y811-A816 WeakPolarHBondContact O-CB 3.29Å; Y811-A816 PolarHBondContact O-N 3.22Å
812R89.1Confident86.5Confident72 Ų7254.5 Ų54.527%0.27229%0.285SS..Hα-helixtrans-63.2-41.7177.3-73-178.270.1108.7-8.8112.7L783 V808 L809 N814 G815 A816 G818 D820L783-R812 HydrophobicContact CD1-CG 4.26Å; V808-R812 WeakPolarHBondContact O-CB 3.31Å; V808-R812 WeakPolarHBondContact O-CG 3.32Å; V808-R812 PolarHBondContact O-N 3.09Å; L809-R812 PolarHBondContact O-N 3.34Å; R812-N814 PolarHBondContact O-N 3.38Å; R812-G815 PolarHBondContact O-N 3.33Å; R812-A816 WeakPolarHBondContact CA-O 3.35Å; R812-G818 WeakPolarHBondContact CD-O 3.43Å; R812-G818 PolarHBondContact NH1-O 2.87Å; R812-D820 IonicContact CZ-OD1 3.63Å; R812-D820 VanDerWaalsContact CZ-OD1 3.22Å; R812-D820 IonicContact CZ-OD2 2.8Å; R812-D820 IonicContact NH1-OD1 3.15Å; R812-D820 PolarHBondContact NH1-OD1 3.07Å; R812-D820 IonicContact NH1-OD2 3.78Å; R812-D820 PolarHBondContact NH1-OD2 3.18Å; R812-D820 IonicContact NH2-OD1 2.75Å; R812-D820 PolarHBondContact NH2-OD1 3.17Å; R812-D820 IonicContact NH2-OD2 3.86Å
813S87.4Confident86.9Confident75 Ų7548.5 Ų48.552%0.52426%0.26SS..Hα-helixtrans-63.9-23.5174.968.90000112.4L809 F810 G815L809-S813 WeakPolarHBondContact O-CB 3.34Å; L809-S813 PolarHBondContact O-N 3.01Å; L809-S813 PolarHBondContact O-OG 2.63Å; F810-S813 PolarHBondContact O-OG 2.95Å; S813-G815 VanDerWaalsContact C-N 3.31Å
814N85.7Confident87.1Confident86 Ų8652.5 Ų52.546%0.4627%0.272SS..THydrogen-bonded Turntrans-90.513.6172.5-74.7-83.7000113.3I776 F810 Y811 R812I776-N814 VanDerWaalsContact CD1-O 3.32Å; I776-N814 WeakPolarHBondContact CD1-O 3.46Å; F810-N814 PolarHBondContact O-N 3.35Å; F810-N814 PolarHBondContact O-ND2 2.91Å; Y811-N814 CarbonylContact O-C 3.6Å; Y811-N814 WeakPolarHBondContact O-CA 3.45Å; Y811-N814 PolarHBondContact O-N 3.15Å; R812-N814 PolarHBondContact O-N 3.38Å
815G88Confident86.9Confident48 Ų4854.9 Ų54.950%0.49529%0.289SS..THydrogen-bonded Turntrans90.68.7174.900000115.2Y811 R812 S813Y811-G815 PolarHBondContact O-N 2.76Å; R812-G815 PolarHBondContact O-N 3.33Å; S813-G815 VanDerWaalsContact C-N 3.31Å
816A90Very high86.2Confident5 Ų554.6 Ų54.64%0.04129%0.291CS..  trans-71.4144.7172.900000111.8I776 A779 N780 L783 Y811 R812I776-A816 HydrophobicContact CG2-CB 4.26Å; A779-A816 HydrophobicContact CB-CB 4.12Å; N780-A816 WeakPolarHBondContact OD1-CA 3.29Å; N780-A816 VanDerWaalsContact OD1-CB 3.28Å; N780-A816 WeakPolarHBondContact OD1-CB 3.35Å; L783-A816 HydrophobicContact CD1-CB 3.86Å; Y811-A816 VanDerWaalsContact C-CB 3.49Å; Y811-A816 WeakPolarHBondContact O-CB 3.29Å; Y811-A816 PolarHBondContact O-N 3.22Å; R812-A816 WeakPolarHBondContact CA-O 3.35Å
817L87.3Confident85Confident124 Ų12451.3 Ų51.365%0.64929%0.293SS*.  trans-105.6146-179.4-59.3175.7000110.3N780N780-L817 VanDerWaalsContact CA-O 3.31Å; N780-L817 WeakPolarHBondContact CA-O 3.22Å; N780-L817 PolarHBondContact OD1-N 3.02Å
818G88.8Confident83Confident15 Ų1552.2 Ų52.216%0.15530%0.304CS..  trans94.4176.8-175.100000113.7R812R812-G818 WeakPolarHBondContact CD-O 3.43Å; R812-G818 PolarHBondContact NH1-O 2.87Å
819G88.1Confident80.8Confident0 Ų057.7 Ų57.70%034%0.34CS..  trans89.16.2-171.100000113.7D787 F822 L823D787-G819 VanDerWaalsContact CG-N 3.35Å; D787-G819 WeakPolarHBondContact OD1-CA 3.32Å; D787-G819 VanDerWaalsContact OD2-CA 3.31Å; D787-G819 WeakPolarHBondContact OD2-CA 3.29Å; D787-G819 PolarHBondContact OD2-N 3.31Å; G819-F822 PolarHBondContact O-N 3.41Å; G819-L823 WeakPolarHBondContact O-CB 3.32Å; G819-L823 VanDerWaalsContact O-CG 3.29Å; G819-L823 WeakPolarHBondContact O-CG 3.43Å; G819-L823 PolarHBondContact O-N 3.33Å
820D88.7Confident78.4Confident70 Ų7059.4 Ų59.437%0.37436%0.363SS..Hα-helixtrans-71-37-176-65.8-77.7000112.6D787 R812 R824D787-D820 PolarHBondContact OD1-N 3.12Å; D787-D820 PolarHBondContact OD2-N 3.35Å; R812-D820 IonicContact CZ-OD1 3.63Å; R812-D820 VanDerWaalsContact CZ-OD1 3.22Å; R812-D820 IonicContact CZ-OD2 2.8Å; R812-D820 IonicContact NH1-OD1 3.15Å; R812-D820 PolarHBondContact NH1-OD1 3.07Å; R812-D820 IonicContact NH1-OD2 3.78Å; R812-D820 PolarHBondContact NH1-OD2 3.18Å; R812-D820 IonicContact NH2-OD1 2.75Å; R812-D820 PolarHBondContact NH2-OD1 3.17Å; R812-D820 IonicContact NH2-OD2 3.86Å; D820-R824 WeakPolarHBondContact O-CB 3.14Å; D820-R824 VanDerWaalsContact O-CG 3.27Å; D820-R824 WeakPolarHBondContact O-CG 3.31Å; D820-R824 PolarHBondContact O-N 2.91Å; D820-R824 PolarHBondContact O-NE 3.32Å
821A85.7Confident75.9Confident20 Ų2063 Ų6317%0.16538%0.381CS..Hα-helixtrans-69.5-42.2175.700000109.9D787 V790 R824 S825D787-A821 HydrophobicContact CB-CB 3.87Å; D787-A821 WeakPolarHBondContact OD1-CA 3.45Å; D787-A821 WeakPolarHBondContact OD1-CB 3.18Å; D787-A821 PolarHBondContact OD1-N 3.04Å; V790-A821 HydrophobicContact CB-CB 4.28Å; V790-A821 HydrophobicContact CG1-CB 4.26Å; A821-R824 PolarHBondContact O-N 3.35Å; A821-S825 PolarHBondContact O-N 2.91Å
822F87.3Confident73.4Confident0 Ų068.5 Ų68.50%042%0.419CS..Hα-helixtrans-57.7-53.2174.9178.7-90.3000112L786 D787 V790 I796 L804 H805 V808 G819 R824 S825 S826L786-F822 HydrophobicContact CD1-CD2 3.93Å; L786-F822 HydrophobicContact CD1-CE2 4.4Å; L786-F822 HydrophobicContact CD2-CB 3.91Å; L786-F822 HydrophobicContact CD2-CD1 4.2Å; L786-F822 HydrophobicContact CD2-CD2 3.75Å; L786-F822 HydrophobicContact CD2-CE2 4.37Å; L786-F822 HydrophobicContact CD2-CG 3.66Å; L786-F822 HydrophobicContact CG-CB 4.03Å; L786-F822 HydrophobicContact CG-CD2 3.84Å; L786-F822 HydrophobicContact CG-CG 4.05Å; D787-F822 PolarHBondContact OD1-N 3.26Å; V790-F822 HydrophobicContact CG2-CB 3.82Å; V790-F822 HydrophobicContact CG2-CD2 3.99Å; V790-F822 HydrophobicContact CG2-CG 4.41Å; I796-F822 HydrophobicContact CD1-CD2 3.35Å; I796-F822 HydrophobicContact CD1-CE2 3.5Å; L804-F822 HydrophobicContact CB-CE1 4.11Å; L804-F822 HydrophobicContact CB-CE2 4.02Å; L804-F822 HydrophobicContact CB-CZ 3.44Å; L804-F822 VanDerWaalsContact CB-CZ 3.44Å; L804-F822 HydrophobicContact CD1-CE2 3.97Å; L804-F822 HydrophobicContact CD1-CZ 4.27Å; H805-F822 HydrophobicContact CB-CE1 4.49Å; V808-F822 HydrophobicContact CB-CD1 4.39Å; V808-F822 HydrophobicContact CG1-CD1 4.43Å; V808-F822 HydrophobicContact CG2-CD1 3.84Å; V808-F822 HydrophobicContact CG2-CE1 4Å; G819-F822 PolarHBondContact O-N 3.41Å; F822-R824 VanDerWaalsContact C-N 3.31Å; F822-R824 PolarHBondContact O-N 2.94Å; F822-S825 PolarHBondContact O-N 3.43Å; F822-S825 VanDerWaalsContact O-N 3.09Å; F822-S825 PolarHBondContact O-OG 3.01Å; F822-S826 PolarHBondContact O-N 3.31Å; F822-S826 PolarHBondContact O-OG 2.94Å
823L85.8Confident70.6Confident26 Ų2671 Ų7114%0.13645%0.447CS..Hα-helixtrans-59.2-42.1-179.1-72173.4000111.8H805 V808 L809 G819 S825 S826H805-L823 WeakPolarHBondContact CE1-CD2 3.48Å; V808-L823 HydrophobicContact CG1-CD1 4.1Å; V808-L823 HydrophobicContact CG1-CD2 4.09Å; V808-L823 HydrophobicContact CG1-CG 3.94Å; L809-L823 HydrophobicContact CD2-CD1 4.03Å; L809-L823 HydrophobicContact CD2-CD2 3.89Å; L809-L823 HydrophobicContact CG-CD2 4.21Å; G819-L823 WeakPolarHBondContact O-CB 3.32Å; G819-L823 VanDerWaalsContact O-CG 3.29Å; G819-L823 WeakPolarHBondContact O-CG 3.43Å; G819-L823 PolarHBondContact O-N 3.33Å; L823-S825 PolarHBondContact O-N 3.22Å; L823-S826 WeakPolarHBondContact CA-OG 3.46Å; L823-S826 PolarHBondContact O-N 3.07Å; L823-S826 PolarHBondContact O-OG 3.22Å
824R82.5Confident67.9Low190 Ų19070.7 Ų70.772%0.71746%0.455SS*.Hα-helixtrans-61.4-41.4174.7-76.2-178-72.9175.6-2.7112.9D820 A821 F822 S826D820-R824 WeakPolarHBondContact O-CB 3.14Å; D820-R824 VanDerWaalsContact O-CG 3.27Å; D820-R824 WeakPolarHBondContact O-CG 3.31Å; D820-R824 PolarHBondContact O-N 2.91Å; D820-R824 PolarHBondContact O-NE 3.32Å; A821-R824 PolarHBondContact O-N 3.35Å; F822-R824 VanDerWaalsContact C-N 3.31Å; F822-R824 PolarHBondContact O-N 2.94Å; R824-S826 VanDerWaalsContact C-N 3.33Å
825S78.1Confident65.2Low50 Ų5074.1 Ų74.135%0.3547%0.472SS..Hα-helixtrans-69.6-29.4178.373.70000113.4A821 F822 L823 G827A821-S825 PolarHBondContact O-N 2.91Å; F822-S825 PolarHBondContact O-N 3.43Å; F822-S825 VanDerWaalsContact O-N 3.09Å; F822-S825 PolarHBondContact O-OG 3.01Å; L823-S825 PolarHBondContact O-N 3.22Å; S825-G827 PolarHBondContact O-N 2.91Å
826S70.4Confident62.4Low30 Ų3078 Ų7821%0.2149%0.486CS..THydrogen-bonded Turntrans-78.32.1-178.861.50000114.8S801 H805 F822 L823 R824S801-S826 WeakPolarHBondContact OG-CB 3.36Å; H805-S826 PolarHBondContact CE1-OG 3.22Å; H805-S826 PolarHBondContact ND1-OG 2.94Å; H805-S826 VanDerWaalsContact ND1-OG 3.08Å; F822-S826 PolarHBondContact O-N 3.31Å; F822-S826 PolarHBondContact O-OG 2.94Å; L823-S826 WeakPolarHBondContact CA-OG 3.46Å; L823-S826 PolarHBondContact O-N 3.07Å; L823-S826 PolarHBondContact O-OG 3.22Å; R824-S826 VanDerWaalsContact C-N 3.33Å
827G62.1Low59.4Low67 Ų6785.7 Ų85.769%0.69153%0.525SS*.THydrogen-bonded Turntrans77.316.9172.600000115.6S825S825-G827 PolarHBondContact O-N 2.91Å
828S45.4Very low56.4Low57 Ų5784.5 Ų84.540%0.39953%0.527SS..PPolyproline II helixtrans-84.2135.3177.9-162.40000111.4H805 A830H805-S828 VanDerWaalsContact CE1-CB 3.47Å; H805-S828 WeakPolarHBondContact CE1-CB 3.43Å; S828-A830 PolarHBondContact O-N 2.79Å
829P42.9Very low53.5Low115 Ų11590.9 Ų90.975%0.74756%0.558SS**PPolyproline II helixtrans-67.3128.8-175.925.6-29.2000110.1E831P829-E831 PolarHBondContact O-N 3.45Å
830A36.7Very low51Low99 Ų9996.4 Ų96.482%0.81859%0.593SS**PPolyproline II helixtrans-47.3122.2-17900000111.7S828S828-A830 PolarHBondContact O-N 2.79Å
831E35.4Very low47.9Very low163 Ų163101 Ų10176%0.76262%0.617SS**PPolyproline II helixtrans-56.9142.8166.8-78.2-177.6155.500109.6P829 S833P829-E831 PolarHBondContact O-N 3.45Å; E831-S833 PolarHBondContact O-N 3.04Å
832P36.2Very low45Very low127 Ų127107.2 Ų107.283%0.82565%0.646SS**  trans-68.5113.5-171.12.58.8000110.3G834P832-G834 PolarHBondContact O-N 2.69Å; P832-G834 VanDerWaalsContact O-N 3.15Å
833S31.2Very low42Very low125 Ų125114.3 Ų114.387%0.87469%0.69SS**  trans-54.4111.5165.752.10000110.3E831E831-S833 PolarHBondContact O-N 3.04Å
834G29.8Very low39Very low67 Ų67117.5 Ų117.569%0.69171%0.714SS**  trans16455.4171.500000116.5P832P832-G834 PolarHBondContact O-N 2.69Å; P832-G834 VanDerWaalsContact O-N 3.15Å
835I28.3Very low36.3Very low158 Ų158112.8 Ų112.881%0.8171%0.71SS**  trans-132.192.8154.2-54.7179.7000107.8I837I835-I837 PolarHBondContact O-N 3Å
836T29.8Very low33.7Very low129 Ų129116.6 Ų116.679%0.79173%0.731SS**  trans-59.7116.3164.534.80000109.1S838T836-S838 PolarHBondContact O-N 3.41Å
837I27.7Very low31.7Very low168 Ų168116.9 Ų116.986%0.86274%0.735SS**  trans-72.9100.5177.8-60.8165.4000108.1I835I835-I837 PolarHBondContact O-N 3Å
838S24.8Very low29.9Very low99 Ų99121 Ų12169%0.69274%0.739SS**  trans-146.377.7164.856.30000109.1T836T836-S838 PolarHBondContact O-N 3.41Å
839D27.6Very low28.8Very low149 Ų149124.8 Ų124.880%0.79776%0.759SS**  161.3125.8127.4-96.1-26.5000109.2L841D839-L841 PolarHBondContact O-N 3.05Å
840P34.1Very low28.1Very low116 Ų116125 Ų12575%0.75376%0.757SS**  trans-88.1101.5-173.933.4-26.9000108.4
841L25Very low27.4Very low166 Ų166126.5 Ų126.587%0.86976%0.756SS**  trans-172.1135.4154.6-95.7145.5000108.2D839D839-L841 PolarHBondContact O-N 3.05Å
842I24.5Very low27Very low150 Ų150124.2 Ų124.277%0.76975%0.749SS**  trans89.682.1177.7-45.8166.2000114S844I842-S844 PolarHBondContact O-N 3.06Å
843T23.9Very low26.5Very low150 Ų150123.5 Ų123.592%0.9275%0.747SS**  trans-65.596.916148.60000110.1
844S23.5Very low26.2Very low93 Ų93123 Ų12365%0.6574%0.744SS**  trans-120.399.816462.20000109.1I842 V846I842-S844 PolarHBondContact O-N 3.06Å; S844-V846 PolarHBondContact O-N 2.84Å
845S25.7Very low26Very low90 Ų90125.7 Ų125.763%0.62974%0.742SS**  trans-75.6112.217648.60000110.6
846V22.9Very low25.9Very low130 Ų130127.4 Ų127.479%0.78875%0.747SS**PPolyproline II helixtrans-64130170.6174.90000110S844S844-V846 PolarHBondContact O-N 2.84Å
847A28.3Very low25.7Very low37 Ų37130.2 Ų130.231%0.30675%0.75SS.*PPolyproline II helixtrans-101.4146.6-176.600000113.4V990A847-V990 HydrophobicContact CB-CG1 3.83Å; A847-V990 WeakPolarHBondContact CB-O 3.49Å
848M24.5Very low25.5Very low154 Ų154126.7 Ų126.776%0.75974%0.741SS**PPolyproline II helixtrans-81.8136.4-178.5-74.8-170.9-172.500113.5
849V23.3Very low25.4Very low136 Ų136133.3 Ų133.382%0.82475%0.751SS**  trans-87114159.4174.50000108.4
850V27.5Very low25.4Very low118 Ų118131 Ų13172%0.71575%0.746SS**  trans-85.3114.7175.8177.60000109.1
851V21.3Very low25Very low131 Ų131133.2 Ų133.279%0.79475%0.752SS**  trans-87.8122.3165.9176.60000108
852D27Very low25.2Very low116 Ų116132.8 Ų132.862%0.6275%0.748SS**  trans-102.1111.9-164.6-150.7-6.8000109.1
853S26.3Very low25.5Very low111 Ų111130 Ų13078%0.77674%0.741SS**  trans-158.756.3170.5710000113.2
854S24Very low25.6Very low116 Ų116127.7 Ų127.781%0.81172%0.723SS**  trans-164.527.4161.760.80000114.9
855L25.9Very low25.8Very low122 Ų122127.1 Ų127.164%0.63972%0.716SS**G310 helixtrans-91.314.2-175.8-105.6162.7000115.5Q857L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.36Å
856E26.6Very low26.1Very low195 Ų195125.9 Ų125.991%0.91171%0.712SS**G310 helixtrans-77.5-6.3179.6-79.1-157.1153.700115.5
857Q24.8Very low26.3Very low187 Ų187125.4 Ų125.487%0.87470%0.704SS**G310 helixtrans-138.562.3-178.4-68.6-173.40.300114.1L855L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.36Å
858S23.9Very low26.2Very low94 Ų94126.3 Ų126.366%0.65770%0.703SS**  trans-172.295.3148.248.60000109.9
859R23.8Very low26.6Very low239 Ų239123.6 Ų123.690%0.90269%0.692SS**  trans-58.2142.3161.9-69.4176.9173.3-177.7-2.4109.3
860S27.6Very low26.9Very low101 Ų101124.9 Ų124.971%0.70669%0.689SS**  trans58.4115.9162.157.50000118.3
861N25.7Very low26.8Very low161 Ų161124.7 Ų124.786%0.86168%0.684SS**  176.753125.6-85.3-12.9000112.5
862I28.6Very low27.1Very low157 Ų157122.7 Ų122.781%0.80568%0.675SS**  trans-85.6114.1160.3-61.6175.8000106.6I864I862-I864 VanDerWaalsContact C-N 3.28Å; I862-I864 PolarHBondContact O-N 2.84Å
863C31.1Very low27.1Very low92 Ų92125.2 Ų125.262%0.62269%0.688SS**  trans-74.378.1-177.2-165.40000110.4P865 A866C863-P865 VanDerWaalsContact C-N 3.26Å; C863-A866 PolarHBondContact O-N 3.38Å
864I26.2Very low27.2Very low102 Ų102122.4 Ų122.452%0.52368%0.676SS.*Hα-helixtrans-54.2-29.2173.8-65.1170.1000113.8I862 A866 L867 L868I862-I864 VanDerWaalsContact C-N 3.28Å; I862-I864 PolarHBondContact O-N 2.84Å; I864-A866 VanDerWaalsContact C-N 3.34Å; I864-A866 PolarHBondContact O-N 3.36Å; I864-L867 PolarHBondContact O-N 3.48Å; I864-L868 HydrophobicContact CG2-CD1 3.69Å; I864-L868 HydrophobicContact CG2-CG 4.11Å; I864-L868 PolarHBondContact O-N 3.3Å
865P27.7Very low27.3Very low80 Ų80127 Ų12752%0.51968%0.681SS.*Hα-helixtrans-57.1-38.8177.9-29.136.3000115C863 L867 L868 D869C863-P865 VanDerWaalsContact C-N 3.26Å; P865-L867 VanDerWaalsContact C-N 3.31Å; P865-L867 PolarHBondContact O-N 2.99Å; P865-L868 PolarHBondContact O-N 2.96Å; P865-D869 PolarHBondContact O-N 3.32Å; P865-D869 VanDerWaalsContact O-N 3.07Å
866A30.5Very low27.5Very low64 Ų64132.5 Ų132.553%0.52969%0.694SS.*Hα-helixtrans-66.7-33.9-177.600000112.7C863 I864C863-A866 PolarHBondContact O-N 3.38Å; I864-A866 VanDerWaalsContact C-N 3.34Å; I864-A866 PolarHBondContact O-N 3.36Å
867L27.1Very low27.7Very low120 Ų120130.8 Ų130.863%0.62869%0.691SS**Hα-helixtrans-80.5-24.1179.9-145.6134.9000112I864 P865I864-L867 PolarHBondContact O-N 3.48Å; P865-L867 VanDerWaalsContact C-N 3.31Å; P865-L867 PolarHBondContact O-N 2.99Å
868L26.6Very low28.1Very low56 Ų56125.7 Ų125.729%0.29369%0.689SS.*Hα-helixtrans-76.8-33.7173.2-75.5170.6000112.5I864 P865I864-L868 HydrophobicContact CG2-CD1 3.69Å; I864-L868 HydrophobicContact CG2-CG 4.11Å; I864-L868 PolarHBondContact O-N 3.3Å; P865-L868 PolarHBondContact O-N 2.96Å
869D32.7Very low28.4Very low97 Ų97125.7 Ų125.752%0.51969%0.694SS.*Hα-helixtrans-72.6-33179.1-80.4-12.6000112.4P865 L871 S872P865-D869 PolarHBondContact O-N 3.32Å; P865-D869 VanDerWaalsContact O-N 3.07Å; D869-L871 VanDerWaalsContact C-N 3.26Å; D869-L871 PolarHBondContact O-N 2.79Å; D869-S872 WeakPolarHBondContact O-CB 3.49Å; D869-S872 PolarHBondContact O-N 3.48Å; D869-S872 PolarHBondContact O-OG 2.92Å
870E29.8Very low28.7Very low164 Ų164119.4 Ų119.477%0.76668%0.678SS**Hα-helixtrans-64.4-26.8176.2-83.7-166.3163.300113.8S872E870-S872 VanDerWaalsContact C-N 3.33Å
871L26.1Very low29.1Very low114 Ų114119.1 Ų119.160%0.59768%0.676SS**THydrogen-bonded Turntrans-87.92.1-179.1-73.3167.6000113.7D869 L873 T937D869-L871 VanDerWaalsContact C-N 3.26Å; D869-L871 PolarHBondContact O-N 2.79Å; L871-L873 VanDerWaalsContact C-N 3.27Å; L871-L873 PolarHBondContact O-N 2.77Å; L871-T937 HydrophobicContact CD1-CG2 4.4Å
872S27.6Very low29.6Very low88 Ų88118.2 Ų118.262%0.61567%0.671SS**  trans-84.422.9-17268.10000115.4D869 E870 G874D869-S872 WeakPolarHBondContact O-CB 3.49Å; D869-S872 PolarHBondContact O-N 3.48Å; D869-S872 PolarHBondContact O-OG 2.92Å; E870-S872 VanDerWaalsContact C-N 3.33Å; S872-G874 PolarHBondContact O-N 2.98Å
873L25.6Very low29.8Very low170 Ų170114 Ų11489%0.8965%0.65SS**  trans-75.4107.2173.8-78.9165.6000111.6L871L871-L873 VanDerWaalsContact C-N 3.27Å; L871-L873 PolarHBondContact O-N 2.77Å
874G28.8Very low30.1Very low52 Ų52116.2 Ų116.254%0.53665%0.645SS.*  trans121.697.1151.300000116.1S872S872-G874 PolarHBondContact O-N 2.98Å
875K27.1Very low30.6Very low211 Ų211113.7 Ų113.792%0.91765%0.645SS**  trans-61.5129.1156.4-71.3179173.9-177.20109.3
876R29Very low31.1Very low239 Ų239115.6 Ų115.690%0.90265%0.646SS**  trans-163.8111.7151.8-106.8174.6-162.3-178.15.2111.5
877D30.9Very low31.5Very low158 Ų158115.5 Ų115.585%0.84564%0.636SS**  trans11.5126.9154.2-51.5-34.5000121.8
878G33Very low32.1Very low80 Ų80115 Ų11583%0.82563%0.63SS**SBend8733.1104.200000121.2
879A30.1Very low32.9Very low94 Ų94117.5 Ų117.578%0.77764%0.641SS**  trans-156.940.8168.400000114.9
880L31.1Very low33.3Very low108 Ų108116.4 Ų116.457%0.56563%0.634SS**  trans-113.213.5-162-101155.3000116.7L883 R884L880-L883 HydrophobicContact CD2-CB 4.25Å; L880-L883 HydrophobicContact CD2-CD2 3.74Å; L880-R884 WeakPolarHBondContact O-CG 3.45Å
881S35.4Very low33.9Very low95 Ų95110.4 Ų110.466%0.66461%0.608SS**Hα-helixtrans-76.9-46.9179.967.20000113.3L883 R884S881-L883 VanDerWaalsContact C-N 3.35Å; S881-L883 PolarHBondContact O-N 3.38Å; S881-R884 PolarHBondContact O-N 2.95Å
882D36.2Very low34.8Very low141 Ų141107.8 Ų107.875%0.75460%0.596SS**Hα-helixtrans-73.7-26-174.2-77.3-5.1000113.5R884D882-R884 VanDerWaalsContact C-N 3.28Å; D882-R884 PolarHBondContact O-N 3.21Å
883L34.2Very low35.5Very low70 Ų70110.5 Ų110.537%0.36659%0.593SS.*Hα-helixtrans-68.7-26.9178.1-16173.1000112.4L880 S881 I887L880-L883 HydrophobicContact CD2-CB 4.25Å; L880-L883 HydrophobicContact CD2-CD2 3.74Å; S881-L883 VanDerWaalsContact C-N 3.35Å; S881-L883 PolarHBondContact O-N 3.38Å; L883-I887 HydrophobicContact CD2-CD1 4.35Å; L883-I887 HydrophobicContact CG-CD1 4.1Å; L883-I887 WeakPolarHBondContact O-CG1 3.43Å; L883-I887 PolarHBondContact O-N 2.87Å
884R35.8Very low36.3Very low138 Ų138104 Ų10452%0.52156%0.559SS.*Hα-helixtrans-67.4-38.4-176.3-76.5178.6-172.5-161.9-0.6112.8L880 S881 D882 H888L880-R884 WeakPolarHBondContact O-CG 3.45Å; S881-R884 PolarHBondContact O-N 2.95Å; D882-R884 VanDerWaalsContact C-N 3.28Å; D882-R884 PolarHBondContact O-N 3.21Å; R884-H888 PolarHBondContact O-N 3.11Å
885G37.1Very low37.1Very low49 Ų49105.3 Ų105.351%0.50555%0.553SS.*Hα-helixtrans-65.8-42.1-179.300000112.7H888 E889G885-H888 PolarHBondContact O-N 3.44Å; G885-E889 PolarHBondContact O-N 3.17Å; G885-E889 VanDerWaalsContact O-N 3.14Å
886Q37.9Very low37.9Very low119 Ų11999.9 Ų99.956%0.55653%0.534SS*.Hα-helixtrans-68.7-39.1-178.7-66.2-178.89.800112.5H888 E889 L890Q886-H888 VanDerWaalsContact C-N 3.29Å; Q886-H888 PolarHBondContact O-N 2.99Å; Q886-E889 PolarHBondContact O-N 3.03Å; Q886-L890 WeakPolarHBondContact O-CG 3.16Å; Q886-L890 PolarHBondContact O-N 3.17Å
887I39Very low38.6Very low62 Ų6294.4 Ų94.432%0.31852%0.518SS..Hα-helixtrans-63.4-39176-67170.7000110.5L883 L891L883-I887 HydrophobicContact CD2-CD1 4.35Å; L883-I887 HydrophobicContact CG-CD1 4.1Å; L883-I887 WeakPolarHBondContact O-CG1 3.43Å; L883-I887 PolarHBondContact O-N 2.87Å; I887-L891 HydrophobicContact CG2-CD1 3.92Å; I887-L891 HydrophobicContact CG2-CG 4.5Å; I887-L891 WeakPolarHBondContact O-CB 3.28Å; I887-L891 WeakPolarHBondContact O-CG 3.49Å; I887-L891 PolarHBondContact O-N 2.75Å
888H41.3Very low39.1Very low109 Ų10988.9 Ų88.951%0.50549%0.488SS..Hα-helixtrans-64.6-47.8177.7-175.470.8000112.4R884 G885 Q886 L890 L891 V892R884-H888 PolarHBondContact O-N 3.11Å; G885-H888 PolarHBondContact O-N 3.44Å; Q886-H888 VanDerWaalsContact C-N 3.29Å; Q886-H888 PolarHBondContact O-N 2.99Å; H888-L890 VanDerWaalsContact C-N 3.27Å; H888-L890 PolarHBondContact O-N 2.97Å; H888-L891 PolarHBondContact O-N 3.01Å; H888-V892 WeakPolarHBondContact O-CG2 3.39Å; H888-V892 PolarHBondContact O-N 2.84Å
889E42.3Very low39.5Very low109 Ų10988 Ų8851%0.50947%0.47SS..Hα-helixtrans-61.5-38-180-155.8-166154.400111.8G885 Q886 R893G885-E889 PolarHBondContact O-N 3.17Å; G885-E889 VanDerWaalsContact O-N 3.14Å; Q886-E889 PolarHBondContact O-N 3.03Å; E889-R893 WeakPolarHBondContact O-CG 3.42Å; E889-R893 PolarHBondContact O-N 2.87Å; E889-R893 IonicContact OE1-CZ 2.86Å; E889-R893 IonicContact OE1-NE 2.85Å; E889-R893 IonicContact OE1-NH2 3.05Å; E889-R893 PolarHBondContact OE1-NH2 2.86Å
890L40.7Very low40.1Very low74 Ų7488.7 Ų88.739%0.38746%0.464SS..Hα-helixtrans-67.7-41.9176-75.8167.8000112.7Q886 H888 R893 L894 L962Q886-L890 WeakPolarHBondContact O-CG 3.16Å; Q886-L890 PolarHBondContact O-N 3.17Å; H888-L890 VanDerWaalsContact C-N 3.27Å; H888-L890 PolarHBondContact O-N 2.97Å; L890-R893 PolarHBondContact O-N 3.14Å; L890-L894 WeakPolarHBondContact O-CB 3.25Å; L890-L894 PolarHBondContact O-N 3.46Å; L890-L962 HydrophobicContact CD1-CD2 4.26Å
891L43.4Very low40.5Very low39 Ų3989.8 Ų89.820%0.20447%0.466CS..Hα-helixtrans-65-38.8176.1-79168.7000112I887 H888 L894 I895 L930 L939I887-L891 HydrophobicContact CG2-CD1 3.92Å; I887-L891 HydrophobicContact CG2-CG 4.5Å; I887-L891 WeakPolarHBondContact O-CB 3.28Å; I887-L891 WeakPolarHBondContact O-CG 3.49Å; I887-L891 PolarHBondContact O-N 2.75Å; H888-L891 PolarHBondContact O-N 3.01Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 PolarHBondContact O-N 3.35Å; L891-I895 WeakPolarHBondContact O-CG1 3.28Å; L891-I895 PolarHBondContact O-N 2.9Å; L891-L930 HydrophobicContact CD1-CD1 3.89Å; L891-L939 HydrophobicContact CD2-CD2 3.67Å
892V44.7Very low40.6Very low59 Ų5996.7 Ų96.736%0.35848%0.478SS..Hα-helixtrans-64.6-41.5175.3172.10000111H888 I895 N896H888-V892 WeakPolarHBondContact O-CG2 3.39Å; H888-V892 PolarHBondContact O-N 2.84Å; V892-I895 PolarHBondContact O-N 2.99Å; V892-N896 PolarHBondContact O-N 2.83Å; V892-N896 PolarHBondContact O-ND2 3.2Å
893R43.2Very low40.6Very low145 Ų14598.3 Ų98.355%0.54748%0.481SS..Hα-helixtrans-62-43173.3-73.8-177.7-168.9-171.66.5112.1E889 L890 I895 N896 E897E889-R893 WeakPolarHBondContact O-CG 3.42Å; E889-R893 PolarHBondContact O-N 2.87Å; E889-R893 IonicContact OE1-CZ 2.86Å; E889-R893 IonicContact OE1-NE 2.85Å; E889-R893 IonicContact OE1-NH2 3.05Å; E889-R893 PolarHBondContact OE1-NH2 2.86Å; L890-R893 PolarHBondContact O-N 3.14Å; R893-I895 PolarHBondContact O-N 3.4Å; R893-N896 PolarHBondContact O-N 2.81Å; R893-E897 PolarHBondContact O-N 2.99Å
894L42.3Very low41Very low34 Ų34101 Ų10118%0.17849%0.49CS..Hα-helixtrans-59.5-46.2177.3-166.288.8000111.7L890 L891 N896 E897 I898 I958L890-L894 WeakPolarHBondContact O-CB 3.25Å; L890-L894 PolarHBondContact O-N 3.46Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 PolarHBondContact O-N 3.35Å; L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 2.96Å; L894-E897 PolarHBondContact O-N 3.47Å; L894-I898 HydrophobicContact CD2-CD1 4.2Å; L894-I898 HydrophobicContact CG-CD1 3.98Å; L894-I898 WeakPolarHBondContact O-CB 3.37Å; L894-I898 WeakPolarHBondContact O-CD1 3.37Å; L894-I898 WeakPolarHBondContact O-CG1 3.32Å; L894-I898 PolarHBondContact O-N 3.41Å; L894-I958 HydrophobicContact CD1-CD1 4.27Å
895I44.5Very low41.3Very low78 Ų7899.5 Ų99.540%0.450%0.498SS..Hα-helixtrans-62.4-39.9177.1-68.8167.8000110.8L891 V892 R893 S899L891-I895 WeakPolarHBondContact O-CG1 3.28Å; L891-I895 PolarHBondContact O-N 2.9Å; V892-I895 PolarHBondContact O-N 2.99Å; R893-I895 PolarHBondContact O-N 3.4Å; I895-S899 WeakPolarHBondContact O-CB 3.41Å; I895-S899 PolarHBondContact O-N 3.2Å; I895-S899 PolarHBondContact O-OG 3.17Å
896N43.6Very low41.3Very low97 Ų97103.5 Ų103.552%0.51951%0.507SS..Hα-helixtrans-68.2-42.3178.4-76-23.9000112.4V892 R893 L894 S899 T900V892-N896 PolarHBondContact O-N 2.83Å; V892-N896 PolarHBondContact O-ND2 3.2Å; R893-N896 PolarHBondContact O-N 2.81Å; L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 2.96Å; N896-S899 PolarHBondContact O-N 3.09Å; N896-T900 PolarHBondContact O-N 3.38Å; N896-T900 VanDerWaalsContact O-N 3.12Å; N896-T900 PolarHBondContact O-OG1 3.42Å
897E43.6Very low41.2Very low125 Ų12599.1 Ų99.158%0.58449%0.489SS*.Hα-helixtrans-62-46.7175.1-79.6179.816900111.4R893 L894 S899 T900 E901R893-E897 PolarHBondContact O-N 2.99Å; L894-E897 PolarHBondContact O-N 3.47Å; E897-S899 PolarHBondContact O-N 3.2Å; E897-T900 PolarHBondContact O-N 3.5Å; E897-T900 VanDerWaalsContact O-N 3.09Å; E897-T900 PolarHBondContact O-OG1 3Å; E897-E901 PolarHBondContact O-N 3.43Å
898I41.3Very low41.1Very low41 Ų41102 Ų10221%0.2150%0.501CS..Hα-helixtrans-60.5-34.6176.2-65.7166.5000111.2L894 T900 I911 L951L894-I898 HydrophobicContact CD2-CD1 4.2Å; L894-I898 HydrophobicContact CG-CD1 3.98Å; L894-I898 WeakPolarHBondContact O-CB 3.37Å; L894-I898 WeakPolarHBondContact O-CD1 3.37Å; L894-I898 WeakPolarHBondContact O-CG1 3.32Å; L894-I898 PolarHBondContact O-N 3.41Å; I898-T900 VanDerWaalsContact C-N 3.35Å; I898-I911 HydrophobicContact CG2-CD1 4.16Å; I898-L951 HydrophobicContact CG1-CD2 4.49Å
899S41.2Very low41.1Very low62 Ų62100.7 Ų100.743%0.43450%0.504SS..Hα-helixtrans-73.4-24.2178.8-60.90000113.3I895 N896 E897I895-S899 WeakPolarHBondContact O-CB 3.41Å; I895-S899 PolarHBondContact O-N 3.2Å; I895-S899 PolarHBondContact O-OG 3.17Å; N896-S899 PolarHBondContact O-N 3.09Å; E897-S899 PolarHBondContact O-N 3.2Å
900T43.3Very low40.9Very low108 Ų10898.4 Ų98.466%0.66350%0.499SS*.Hα-helixtrans-81.6-22.5179.248.70000114N896 E897 I898 R902N896-T900 PolarHBondContact O-N 3.38Å; N896-T900 VanDerWaalsContact O-N 3.12Å; N896-T900 PolarHBondContact O-OG1 3.42Å; E897-T900 PolarHBondContact O-N 3.5Å; E897-T900 VanDerWaalsContact O-N 3.09Å; E897-T900 PolarHBondContact O-OG1 3Å; I898-T900 VanDerWaalsContact C-N 3.35Å; T900-R902 PolarHBondContact O-N 3.41Å
901E39.8Very low40.8Very low131 Ų13196 Ų9661%0.61249%0.486SS*.  trans-7887.5176.1-74.7-166.3158.600111.2E897 Q903E897-E901 PolarHBondContact O-N 3.43Å; E901-Q903 PolarHBondContact O-N 3.36Å
902R38.3Very low40.8Very low241 Ų24198.1 Ų98.191%0.90950%0.498SS*.  trans-61.714.8-177.6-86.7-172.9175-176-0.3116.8T900T900-R902 PolarHBondContact O-N 3.41Å
903Q34.3Very low40.7Very low175 Ų175100.7 Ų100.782%0.81850%0.501SS*.  trans-144.185.6-179.8-67.2-161.70.600112.5E901E901-Q903 PolarHBondContact O-N 3.36Å
904K42.6Very low40.4Very low126 Ų12697.4 Ų97.455%0.54849%0.494SS..  trans177.9135.6141.6-96.4153.3-178.7-179.30111L906 S907 D948K904-L906 PolarHBondContact O-N 3.46Å; K904-S907 PolarHBondContact O-N 3.49Å; K904-S907 PolarHBondContact O-OG 3.03Å; K904-D948 IonicContact NZ-OD2 3.1Å; K904-D948 PolarHBondContact NZ-OD2 3.19Å
905P42.7Very low40.3Very low106 Ų106102.9 Ų102.969%0.68851%0.512SS*.Hα-helixtrans-64.1-20.9-17815.6-22.4000114.8S907 H908 C909P905-S907 PolarHBondContact O-N 2.94Å; P905-H908 PolarHBondContact O-N 2.93Å; P905-C909 PolarHBondContact O-N 3.18Å
906L36.6Very low40.2Very low134 Ų134102.7 Ų102.770%0.70252%0.518SS*.Hα-helixtrans-67.5-31.5178.2-84.4146.4000113.7K904 H908 C909 C910K904-L906 PolarHBondContact O-N 3.46Å; L906-H908 VanDerWaalsContact C-N 3.35Å; L906-C909 PolarHBondContact O-N 3.28Å; L906-C910 PolarHBondContact O-N 3.04Å
907S35.6Very low39.9Very low26 Ų26106.2 Ų106.218%0.18252%0.524CS..Hα-helixtrans-69.1-36.9176.659.30000111.3K904 P905 C910 I911K904-S907 PolarHBondContact O-N 3.49Å; K904-S907 PolarHBondContact O-OG 3.03Å; P905-S907 PolarHBondContact O-N 2.94Å; S907-C910 PolarHBondContact O-N 3.47Å; S907-I911 WeakPolarHBondContact O-CB 3.44Å; S907-I911 VanDerWaalsContact O-CG1 3.28Å; S907-I911 WeakPolarHBondContact O-CG1 3.41Å; S907-I911 PolarHBondContact O-N 2.92Å
908H37.6Very low39.6Very low122 Ų122104.9 Ų104.957%0.56552%0.518SS*.Hα-helixtrans-62.3-44.3173.3-90-85.4000112.2P905 L906 C910 I911 D912P905-H908 PolarHBondContact O-N 2.93Å; L906-H908 VanDerWaalsContact C-N 3.35Å; H908-C910 PolarHBondContact O-N 3.24Å; H908-I911 PolarHBondContact O-N 2.73Å; H908-D912 VanDerWaalsContact O-CB 3.24Å; H908-D912 WeakPolarHBondContact O-CB 3.43Å; H908-D912 VanDerWaalsContact O-CG 3.32Å; H908-D912 PolarHBondContact O-N 2.98Å
909C41.1Very low39.4Very low83 Ų83108.1 Ų108.156%0.56154%0.541SS*.Hα-helixtrans-62.6-40.6177.2-690000112.8P905 L906 W913P905-C909 PolarHBondContact O-N 3.18Å; L906-C909 PolarHBondContact O-N 3.28Å; C909-W913 WeakPolarHBondContact O-CB 3.42Å; C909-W913 PolarHBondContact O-N 2.87Å
910C38.4Very low39.1Very low60 Ų60108.1 Ų108.141%0.40554%0.541SS..Hα-helixtrans-66.6-42.3176.2-73.60000112L906 S907 H908 L914L906-C910 PolarHBondContact O-N 3.04Å; S907-C910 PolarHBondContact O-N 3.47Å; H908-C910 PolarHBondContact O-N 3.24Å; C910-L914 WeakPolarHBondContact O-CB 3.3Å; C910-L914 WeakPolarHBondContact O-CG 3.34Å; C910-L914 PolarHBondContact O-N 3.4Å
911I38.9Very low38.6Very low24 Ų24107.4 Ų107.412%0.12354%0.537CS..Hα-helixtrans-66.8-43.9176.9-69.4169.8000110.9I898 S907 H908 L914 R915I898-I911 HydrophobicContact CG2-CD1 4.16Å; S907-I911 WeakPolarHBondContact O-CB 3.44Å; S907-I911 VanDerWaalsContact O-CG1 3.28Å; S907-I911 WeakPolarHBondContact O-CG1 3.41Å; S907-I911 PolarHBondContact O-N 2.92Å; H908-I911 PolarHBondContact O-N 2.73Å; I911-L914 PolarHBondContact O-N 3.35Å; I911-R915 HydrophobicContact CG2-CG 4.42Å; I911-R915 WeakPolarHBondContact O-CB 3.27Å; I911-R915 VanDerWaalsContact O-CG 3.24Å; I911-R915 WeakPolarHBondContact O-CG 3.26Å; I911-R915 PolarHBondContact O-N 3.33Å
912D42.3Very low38.3Very low84 Ų84110.9 Ų110.945%0.44955%0.55SS..Hα-helixtrans-70.1-34.8179.6-73.6-24.4000111.6H908 R915 S916H908-D912 VanDerWaalsContact O-CB 3.24Å; H908-D912 WeakPolarHBondContact O-CB 3.43Å; H908-D912 VanDerWaalsContact O-CG 3.32Å; H908-D912 PolarHBondContact O-N 2.98Å; D912-R915 CarbonylContact O-C 3.6Å; D912-R915 PolarHBondContact O-N 2.93Å; D912-S916 VanDerWaalsContact O-CB 3.27Å; D912-S916 WeakPolarHBondContact O-CB 3.22Å; D912-S916 PolarHBondContact O-N 3.35Å
913W43.2Very low37.8Very low112 Ų112109 Ų10942%0.42454%0.543SS..Hα-helixtrans-66.7-45.6172.2-174.780.2000111.6C909 R915 S916 W917 L942C909-W913 WeakPolarHBondContact O-CB 3.42Å; C909-W913 PolarHBondContact O-N 2.87Å; W913-R915 VanDerWaalsContact C-N 3.31Å; W913-R915 PolarHBondContact O-N 3.05Å; W913-S916 WeakPolarHBondContact CA-OG 3.49Å; W913-S916 WeakPolarHBondContact O-CB 3.13Å; W913-S916 PolarHBondContact O-N 2.92Å; W913-S916 PolarHBondContact O-OG 3.04Å; W913-W917 AromaticContact CE2-CD1 3.8Å; W913-W917 AromaticContact CE2-NE1 3.66Å; W913-W917 HydrophobicContact CH2-CD2 4.34Å; W913-W917 HydrophobicContact CH2-CZ2 4.37Å; W913-W917 AromaticContact CZ2-CD1 3.89Å; W913-W917 HydrophobicContact CZ2-CD2 4.29Å; W913-W917 AromaticContact CZ2-CE2 3.67Å; W913-W917 HydrophobicContact CZ2-CG 4.43Å; W913-W917 HydrophobicContact CZ2-CZ2 4.08Å; W913-W917 AromaticContact CZ2-NE1 3.4Å; W913-W917 AromaticContact NE1-CD1 3.95Å; W913-W917 AromaticContact NE1-NE1 3.84Å; W913-W917 PolarHBondContact O-N 3Å; W913-L942 HydrophobicContact CH2-CD1 4.13Å; W913-L942 HydrophobicContact CZ3-CD1 4.38Å
914L37.2Very low37.5Very low76 Ų76111 Ų11140%0.39855%0.549SS..Hα-helixtrans-60.6-39.6173.2-80.2165.3000112C910 I911 S916 L939C910-L914 WeakPolarHBondContact O-CB 3.3Å; C910-L914 WeakPolarHBondContact O-CG 3.34Å; C910-L914 PolarHBondContact O-N 3.4Å; I911-L914 PolarHBondContact O-N 3.35Å; L914-S916 VanDerWaalsContact C-N 3.34Å; L914-L939 HydrophobicContact CD2-CD1 4.22Å
915R39.8Very low36.6Very low150 Ų150110.8 Ų110.857%0.56656%0.558SS**Hα-helixtrans-69.9-28.3173.2-74.4174.3175.7178.9-0.3112.8I911 D912 W913 Q918I911-R915 HydrophobicContact CG2-CG 4.42Å; I911-R915 WeakPolarHBondContact O-CB 3.27Å; I911-R915 VanDerWaalsContact O-CG 3.24Å; I911-R915 WeakPolarHBondContact O-CG 3.26Å; I911-R915 PolarHBondContact O-N 3.33Å; D912-R915 CarbonylContact O-C 3.6Å; D912-R915 PolarHBondContact O-N 2.93Å; W913-R915 VanDerWaalsContact C-N 3.31Å; W913-R915 PolarHBondContact O-N 3.05Å; R915-Q918 CarbonylContact O-C 3.59Å; R915-Q918 VanDerWaalsContact O-O 3.1Å
916S42Very low35.9Very low73 Ų73110.4 Ų110.451%0.5156%0.558SS.*Hα-helixtrans-75.5-30.8177.479.10000112.8D912 W913 L914 Q918D912-S916 VanDerWaalsContact O-CB 3.27Å; D912-S916 WeakPolarHBondContact O-CB 3.22Å; D912-S916 PolarHBondContact O-N 3.35Å; W913-S916 WeakPolarHBondContact CA-OG 3.49Å; W913-S916 WeakPolarHBondContact O-CB 3.13Å; W913-S916 PolarHBondContact O-N 2.92Å; W913-S916 PolarHBondContact O-OG 3.04Å; L914-S916 VanDerWaalsContact C-N 3.34Å; S916-Q918 PolarHBondContact O-N 3.16Å
917W38.3Very low35.4Very low172 Ų172110 Ų11065%0.65256%0.561SS**SBendtrans-72.1-15.4178.2-103.752.8000113.5W913W913-W917 AromaticContact CE2-CD1 3.8Å; W913-W917 AromaticContact CE2-NE1 3.66Å; W913-W917 HydrophobicContact CH2-CD2 4.34Å; W913-W917 HydrophobicContact CH2-CZ2 4.37Å; W913-W917 AromaticContact CZ2-CD1 3.89Å; W913-W917 HydrophobicContact CZ2-CD2 4.29Å; W913-W917 AromaticContact CZ2-CE2 3.67Å; W913-W917 HydrophobicContact CZ2-CG 4.43Å; W913-W917 HydrophobicContact CZ2-CZ2 4.08Å; W913-W917 AromaticContact CZ2-NE1 3.4Å; W913-W917 AromaticContact NE1-CD1 3.95Å; W913-W917 AromaticContact NE1-NE1 3.84Å; W913-W917 PolarHBondContact O-N 3Å
918Q36.5Very low35.2Very low97 Ų97113.8 Ų113.845%0.45358%0.583SS.*  trans-138.899.2165.7-88.9-148.6-21.500111.9R915 S916 S920 V921R915-Q918 CarbonylContact O-C 3.59Å; R915-Q918 VanDerWaalsContact O-O 3.1Å; S916-Q918 PolarHBondContact O-N 3.16Å; Q918-S920 PolarHBondContact O-N 3.08Å; Q918-S920 PolarHBondContact OE1-OG 3.47Å; Q918-V921 HydrophobicContact CB-CG2 4.17Å; Q918-V921 PolarHBondContact O-N 3.29Å; Q918-V921 VanDerWaalsContact O-N 3.16Å
919P37.4Very low35Very low108 Ų108111.4 Ų111.470%0.70158%0.578SS**G310 helixtrans-57.4-20.4173-2332.8000113.7V921 K922P919-V921 VanDerWaalsContact C-N 3.25Å; P919-V921 PolarHBondContact O-N 3.48Å; P919-K922 PolarHBondContact O-N 2.94Å
920S34.9Very low34.7Very low62 Ų62111.8 Ų111.843%0.43457%0.574SS.*G310 helixtrans-65.1-19.6177.736.50000114.2Q918 K922 R923Q918-S920 PolarHBondContact O-N 3.08Å; Q918-S920 PolarHBondContact OE1-OG 3.47Å; S920-K922 PolarHBondContact O-N 3.45Å; S920-R923 PolarHBondContact O-N 2.9Å; S920-R923 VanDerWaalsContact O-O 3.11Å
921V32.2Very low34.7Very low94 Ų94115.6 Ų115.657%0.5759%0.586SS**G310 helixtrans-68.3-16.8177.3-179.70000112.5Q918 P919 R923Q918-V921 HydrophobicContact CB-CG2 4.17Å; Q918-V921 PolarHBondContact O-N 3.29Å; Q918-V921 VanDerWaalsContact O-N 3.16Å; P919-V921 VanDerWaalsContact C-N 3.25Å; P919-V921 PolarHBondContact O-N 3.48Å; V921-R923 VanDerWaalsContact C-N 3.26Å; V921-R923 PolarHBondContact O-N 2.92Å
922K33.9Very low34.8Very low204 Ų204119.1 Ų119.189%0.88761%0.605SS**G310 helixtrans-76.2-8.9170.4-85.2-172.1176.8179.40114P919 S920P919-K922 PolarHBondContact O-N 2.94Å; S920-K922 PolarHBondContact O-N 3.45Å
923R28Very low34.6Very low201 Ų201121.9 Ų121.976%0.75861%0.609SS**SBendtrans-112.9123.4176-66.9-173.7-168.6175.64.5109.3S920 V921 T925S920-R923 PolarHBondContact O-N 2.9Å; S920-R923 VanDerWaalsContact O-O 3.11Å; V921-R923 VanDerWaalsContact C-N 3.26Å; V921-R923 PolarHBondContact O-N 2.92Å; R923-T925 VanDerWaalsContact C-N 3.28Å; R923-T925 PolarHBondContact O-N 3.38Å; R923-T925 PolarHBondContact O-OG1 2.98Å
924K28.7Very low34.5Very low217 Ų217119 Ų11994%0.94361%0.606SS**  trans-54.490.9168.8-75.6178.3173.1179.30109.2
925T24.2Very low34.6Very low122 Ų122119.1 Ų119.175%0.74861%0.605SS**  trans-156.7136.2168.229.30000109.2R923R923-T925 VanDerWaalsContact C-N 3.28Å; R923-T925 PolarHBondContact O-N 3.38Å; R923-T925 PolarHBondContact O-OG1 2.98Å
926S26.4Very low34.7Very low98 Ų98114.7 Ų114.769%0.68559%0.591SS**  trans-62.8143.4-168.953.50000115.2
927T27.6Very low34.8Very low126 Ų126113.3 Ų113.377%0.77358%0.58SS**  trans53.892.3138.659.60000118.7
928V30.1Very low35Very low104 Ų104106.8 Ų106.863%0.6356%0.561SS**  trans-131112.6146.4-176.80000107.6
929P33.3Very low35.2Very low72 Ų72104.3 Ų104.347%0.46855%0.55SS.*  trans-77.1148.9179.717.5-8.5000111.6E931P929-E931 VanDerWaalsContact O-CG 3.25Å; P929-E931 WeakPolarHBondContact O-CG 3.03Å; P929-E931 PolarHBondContact O-N 3.06Å
930L35.8Very low35.5Very low91 Ų91102.8 Ų102.848%0.47653%0.533SS..  trans-49.3110.8175.7-70158.3000110.6L891 Q935L891-L930 HydrophobicContact CD1-CD1 3.89Å; L930-Q935 HydrophobicContact CD2-CB 4.17Å
931E38.8Very low36Very low140 Ų140102.8 Ų102.865%0.65453%0.532SS*.  trans-84.1-18.3-165.1-66.3-171.9150.300114.1P929P929-E931 VanDerWaalsContact O-CG 3.25Å; P929-E931 WeakPolarHBondContact O-CG 3.03Å; P929-E931 PolarHBondContact O-N 3.06Å
932N41.3Very low36.5Very low98 Ų98102.9 Ų102.952%0.52453%0.529SS..  trans-135.4141.9-165.7-146.3-19.3000115S934 Q935N932-S934 PolarHBondContact O-N 2.92Å; N932-S934 VanDerWaalsContact O-N 3.13Å; N932-Q935 WeakPolarHBondContact O-CB 3.13Å; N932-Q935 PolarHBondContact O-N 2.85Å
933R37.7Very low36.8Very low143 Ų14395.2 Ų95.254%0.5450%0.498SS..Hα-helixtrans-54.1-33.2-179.7-155.8177-172.2-179.32.8111.3Q935 I936 T937R933-Q935 VanDerWaalsContact C-N 3.35Å; R933-Q935 PolarHBondContact O-N 3.47Å; R933-I936 PolarHBondContact O-N 3.4Å; R933-T937 WeakPolarHBondContact O-CB 3.35Å; R933-T937 PolarHBondContact O-N 3.19Å; R933-T937 PolarHBondContact O-OG1 2.75Å
934S40.1Very low37.6Very low50 Ų5088.8 Ų88.835%0.3548%0.483SS..Hα-helixtrans-60.3-37.5175.3560000113.7N932 S938N932-S934 PolarHBondContact O-N 2.92Å; N932-S934 VanDerWaalsContact O-N 3.13Å; S934-S938 VanDerWaalsContact O-CB 3.25Å; S934-S938 WeakPolarHBondContact O-CB 3.28Å; S934-S938 PolarHBondContact O-N 2.82Å; S934-S938 PolarHBondContact O-OG 2.75Å
935Q40.5Very low38.3Very low80 Ų8086.4 Ų86.437%0.37447%0.473SS..Hα-helixtrans-71.7-40.3179.6-65176.5-11.100110.9L930 N932 R933 L939L930-Q935 HydrophobicContact CD2-CB 4.17Å; N932-Q935 WeakPolarHBondContact O-CB 3.13Å; N932-Q935 PolarHBondContact O-N 2.85Å; R933-Q935 VanDerWaalsContact C-N 3.35Å; R933-Q935 PolarHBondContact O-N 3.47Å; Q935-L939 WeakPolarHBondContact O-CB 3.27Å; Q935-L939 PolarHBondContact O-N 3.03Å
936I40.7Very low39.1Very low56 Ų5682.9 Ų82.929%0.28745%0.449SS..Hα-helixtrans-65.4-50.2174.6-60.5176.9000109.5R933 S938 L939 F940R933-I936 PolarHBondContact O-N 3.4Å; I936-S938 VanDerWaalsContact C-N 3.31Å; I936-S938 PolarHBondContact O-N 2.88Å; I936-L939 WeakPolarHBondContact O-CB 3.43Å; I936-L939 PolarHBondContact O-N 3.24Å; I936-L939 VanDerWaalsContact O-N 3.14Å; I936-F940 HydrophobicContact CG2-CD2 3.69Å; I936-F940 HydrophobicContact CG2-CE2 3.6Å; I936-F940 VanDerWaalsContact O-CD2 3.26Å; I936-F940 WeakPolarHBondContact O-CD2 3.45Å; I936-F940 PolarHBondContact O-N 3.38Å
937T43.9Very low39.8Very low45 Ų4587.3 Ų87.328%0.27646%0.456SS..Hα-helixtrans-59.9-40.4178.7-540000112.1L871 R933 F940 C941L871-T937 HydrophobicContact CD1-CG2 4.4Å; R933-T937 WeakPolarHBondContact O-CB 3.35Å; R933-T937 PolarHBondContact O-N 3.19Å; R933-T937 PolarHBondContact O-OG1 2.75Å; T937-F940 PolarHBondContact O-N 3.49Å; T937-C941 WeakPolarHBondContact O-CB 3.31Å; T937-C941 PolarHBondContact O-N 3.36Å
938S42Very low40.6Very low35 Ų3583.6 Ų83.625%0.24543%0.431CS..Hα-helixtrans-64.3-42.1176.1-60.90000111.9S934 I936 C941 L942S934-S938 VanDerWaalsContact O-CB 3.25Å; S934-S938 WeakPolarHBondContact O-CB 3.28Å; S934-S938 PolarHBondContact O-N 2.82Å; S934-S938 PolarHBondContact O-OG 2.75Å; I936-S938 VanDerWaalsContact C-N 3.31Å; I936-S938 PolarHBondContact O-N 2.88Å; S938-C941 PolarHBondContact O-N 3.31Å; S938-L942 WeakPolarHBondContact O-CB 3.14Å; S938-L942 PolarHBondContact O-N 3.25Å
939L41Very low41.6Very low44 Ų4485.3 Ų85.323%0.2343%0.43CS..Hα-helixtrans-61.2-45174.6-160.391.3000110.7L891 L914 Q935 I936 L942 L943L891-L939 HydrophobicContact CD2-CD2 3.67Å; L914-L939 HydrophobicContact CD2-CD1 4.22Å; Q935-L939 WeakPolarHBondContact O-CB 3.27Å; Q935-L939 PolarHBondContact O-N 3.03Å; I936-L939 WeakPolarHBondContact O-CB 3.43Å; I936-L939 PolarHBondContact O-N 3.24Å; I936-L939 VanDerWaalsContact O-N 3.14Å; L939-L942 PolarHBondContact O-N 3.35Å; L939-L943 HydrophobicContact CD2-CD1 3.97Å; L939-L943 HydrophobicContact CG-CD1 3.99Å; L939-L943 WeakPolarHBondContact O-CB 3.38Å; L939-L943 WeakPolarHBondContact O-CG 3.36Å; L939-L943 PolarHBondContact O-N 3.44Å
940F44.8Very low42.1Very low76 Ų7686 Ų8633%0.33343%0.433SS..Hα-helixtrans-64-40.7177-89.2-103.8000112.6I936 T937 L943 S944 F955I936-F940 HydrophobicContact CG2-CD2 3.69Å; I936-F940 HydrophobicContact CG2-CE2 3.6Å; I936-F940 VanDerWaalsContact O-CD2 3.26Å; I936-F940 WeakPolarHBondContact O-CD2 3.45Å; I936-F940 PolarHBondContact O-N 3.38Å; T937-F940 PolarHBondContact O-N 3.49Å; F940-L943 PolarHBondContact O-N 2.87Å; F940-S944 WeakPolarHBondContact O-CB 3.38Å; F940-S944 PolarHBondContact O-N 3.29Å; F940-F955 HydrophobicContact CD1-CE1 4.32Å; F940-F955 AromaticContact CD1-CZ 3.78Å; F940-F955 HydrophobicContact CD1-CZ 3.78Å; F940-F955 HydrophobicContact CE1-CE1 4.04Å; F940-F955 HydrophobicContact CE1-CE2 4.43Å; F940-F955 AromaticContact CE1-CZ 3.38Å; F940-F955 HydrophobicContact CE1-CZ 3.38Å; F940-F955 HydrophobicContact CZ-CZ 4.01Å
941C45.8Very low42.4Very low63 Ų6384.3 Ų84.343%0.42643%0.425SS..Hα-helixtrans-66.4-34.4175-83.40000113.1T937 S938 S944 K945T937-C941 WeakPolarHBondContact O-CB 3.31Å; T937-C941 PolarHBondContact O-N 3.36Å; S938-C941 PolarHBondContact O-N 3.31Å; C941-S944 PolarHBondContact O-OG 3.1Å; C941-K945 WeakPolarHBondContact O-CG 3.27Å
942L41.6Very low43Very low95 Ų9584.4 Ų84.450%0.49742%0.419SS..Hα-helixtrans-74.6-38.4174.4-106.1143.4000111.6W913 S938 L939 K945W913-L942 HydrophobicContact CH2-CD1 4.13Å; W913-L942 HydrophobicContact CZ3-CD1 4.38Å; S938-L942 WeakPolarHBondContact O-CB 3.14Å; S938-L942 PolarHBondContact O-N 3.25Å; L939-L942 PolarHBondContact O-N 3.35Å; L942-K945 WeakPolarHBondContact O-CB 3.41Å; L942-K945 PolarHBondContact O-N 2.92Å
943L40.4Very low43.4Very low44 Ų4485 Ų8523%0.2342%0.419CS..Hα-helixtrans-71-31.2177.2-69171000112L939 F940 K945 L946L939-L943 HydrophobicContact CD2-CD1 3.97Å; L939-L943 HydrophobicContact CG-CD1 3.99Å; L939-L943 WeakPolarHBondContact O-CB 3.38Å; L939-L943 WeakPolarHBondContact O-CG 3.36Å; L939-L943 PolarHBondContact O-N 3.44Å; F940-L943 PolarHBondContact O-N 2.87Å; L943-K945 PolarHBondContact O-N 3.15Å; L943-L946 HydrophobicContact CB-CD1 4.14Å; L943-L946 HydrophobicContact CD2-CD1 3.38Å; L943-L946 HydrophobicContact CD2-CG 4.28Å; L943-L946 HydrophobicContact CG-CD1 4.36Å; L943-L946 WeakPolarHBondContact O-CB 3.24Å; L943-L946 VanDerWaalsContact O-CG 3.28Å; L943-L946 WeakPolarHBondContact O-CG 3.33Å; L943-L946 PolarHBondContact O-N 2.76Å
944S44.7Very low43.7Very low65 Ų6580.4 Ų80.446%0.45541%0.411SS..THydrogen-bonded Turntrans-66.7-18.5173.772.40000113.1F940 C941 L946F940-S944 WeakPolarHBondContact O-CB 3.38Å; F940-S944 PolarHBondContact O-N 3.29Å; C941-S944 PolarHBondContact O-OG 3.1Å; S944-L946 VanDerWaalsContact C-N 3.31Å
945K43.4Very low44.1Very low167 Ų16781.1 Ų81.173%0.72641%0.408SS*.THydrogen-bonded Turntrans-82.9-3.5171.8-64.1-91-178.6175.10113C941 L942 L943 K947C941-K945 WeakPolarHBondContact O-CG 3.27Å; L942-K945 WeakPolarHBondContact O-CB 3.41Å; L942-K945 PolarHBondContact O-N 2.92Å; L943-K945 PolarHBondContact O-N 3.15Å; K945-K947 PolarHBondContact O-N 2.95Å
946L40.5Very low44.5Very low48 Ų4879.5 Ų79.525%0.25141%0.406SS..  trans-66.2106.7176.8-70.5169.5000110.1L943 S944 D948 L951L943-L946 HydrophobicContact CB-CD1 4.14Å; L943-L946 HydrophobicContact CD2-CD1 3.38Å; L943-L946 HydrophobicContact CD2-CG 4.28Å; L943-L946 HydrophobicContact CG-CD1 4.36Å; L943-L946 WeakPolarHBondContact O-CB 3.24Å; L943-L946 VanDerWaalsContact O-CG 3.28Å; L943-L946 WeakPolarHBondContact O-CG 3.33Å; L943-L946 PolarHBondContact O-N 2.76Å; S944-L946 VanDerWaalsContact C-N 3.31Å; L946-D948 PolarHBondContact O-N 3.03Å; L946-L951 HydrophobicContact CD1-CB 4.2Å; L946-L951 HydrophobicContact CD1-CD1 3.87Å; L946-L951 HydrophobicContact CD2-CD1 4.09Å; L946-L951 HydrophobicContact CG-CD1 4.43Å
947K42.8Very low44.8Very low191 Ų19178.8 Ų78.883%0.8341%0.408SS*.  trans-64.4-23.3176.3-69-174.4177-178.60112.5K945 K949 R952K945-K947 PolarHBondContact O-N 2.95Å; K947-K949 PolarHBondContact O-N 2.87Å; K947-R952 PolarHBondContact O-NH2 3.3Å
948D43.8Very low44.7Very low48 Ų4879 Ų7926%0.25741%0.407SS..  trans-68120.5-175.7-161-64.8000111.8K904 L946 T950 L951 R952K904-D948 IonicContact NZ-OD2 3.1Å; K904-D948 PolarHBondContact NZ-OD2 3.19Å; L946-D948 PolarHBondContact O-N 3.03Å; D948-T950 VanDerWaalsContact C-N 3.33Å; D948-T950 PolarHBondContact O-N 2.87Å; D948-T950 WeakPolarHBondContact OD1-CB 3.46Å; D948-T950 PolarHBondContact OD1-N 3.3Å; D948-T950 PolarHBondContact OD1-OG1 3.34Å; D948-L951 HydrophobicContact CB-CB 4.42Å; D948-L951 HydrophobicContact CB-CD1 4.1Å; D948-L951 HydrophobicContact CB-CG 4.43Å; D948-L951 PolarHBondContact O-N 2.97Å; D948-R952 PolarHBondContact O-N 3.26Å
949K50.6Low44.9Very low140 Ų14079.2 Ų79.261%0.60941%0.407SS*.Hα-helixtrans-65.8-35.9-174.8-175.7179.3172.7-174.90111.7K947 L951 R952 E953K947-K949 PolarHBondContact O-N 2.87Å; K949-L951 PolarHBondContact O-N 3.45Å; K949-R952 PolarHBondContact O-N 2.77Å; K949-E953 WeakPolarHBondContact CE-OE1 3.44Å; K949-E953 IonicContact NZ-OE1 3.78Å; K949-E953 WeakPolarHBondContact O-CG 3.28Å; K949-E953 PolarHBondContact O-N 2.73Å
950T44.1Very low45.2Very low86 Ų8685.5 Ų85.553%0.52843%0.427SS..Hα-helixtrans-65.5-41.9-178.8-35.80000110.5D948 E953 A954D948-T950 VanDerWaalsContact C-N 3.33Å; D948-T950 PolarHBondContact O-N 2.87Å; D948-T950 WeakPolarHBondContact OD1-CB 3.46Å; D948-T950 PolarHBondContact OD1-N 3.3Å; D948-T950 PolarHBondContact OD1-OG1 3.34Å; T950-E953 PolarHBondContact O-N 3.45Å; T950-A954 WeakPolarHBondContact O-CB 3.5Å; T950-A954 PolarHBondContact O-N 2.91Å
951L42.8Very low45.1Very low57 Ų5791.3 Ų91.330%0.29845%0.447SS..Hα-helixtrans-64.3-39.6174.7-75171000112I898 L946 D948 K949 F955I898-L951 HydrophobicContact CG1-CD2 4.49Å; L946-L951 HydrophobicContact CD1-CB 4.2Å; L946-L951 HydrophobicContact CD1-CD1 3.87Å; L946-L951 HydrophobicContact CD2-CD1 4.09Å; L946-L951 HydrophobicContact CG-CD1 4.43Å; D948-L951 HydrophobicContact CB-CB 4.42Å; D948-L951 HydrophobicContact CB-CD1 4.1Å; D948-L951 HydrophobicContact CB-CG 4.43Å; D948-L951 PolarHBondContact O-N 2.97Å; K949-L951 PolarHBondContact O-N 3.45Å; L951-F955 VanDerWaalsContact O-CB 3.26Å; L951-F955 WeakPolarHBondContact O-CB 3.26Å; L951-F955 PolarHBondContact O-N 2.95Å
952R49.7Very low44.7Very low141 Ų14190.5 Ų90.553%0.53244%0.438SS..Hα-helixtrans-63.7-41.1174.1-87.9-174.8-81.2163.5-5112.7K947 D948 K949 F955 S956K947-R952 PolarHBondContact O-NH2 3.3Å; D948-R952 PolarHBondContact O-N 3.26Å; K949-R952 PolarHBondContact O-N 2.77Å; R952-F955 PolarHBondContact O-N 2.92Å; R952-S956 WeakPolarHBondContact O-CB 3.32Å; R952-S956 PolarHBondContact O-N 3.05Å
953E50.2Low44.8Very low111 Ų11187.3 Ų87.352%0.51943%0.425SS..Hα-helixtrans-68.9-44.9178.9-74.7178178.900112.1K949 T950 F955 S956 A957K949-E953 WeakPolarHBondContact CE-OE1 3.44Å; K949-E953 IonicContact NZ-OE1 3.78Å; K949-E953 WeakPolarHBondContact O-CG 3.28Å; K949-E953 PolarHBondContact O-N 2.73Å; T950-E953 PolarHBondContact O-N 3.45Å; E953-F955 VanDerWaalsContact C-N 3.28Å; E953-F955 PolarHBondContact O-N 3.21Å; E953-S956 PolarHBondContact O-N 3.42Å; E953-A957 PolarHBondContact O-N 3.16Å
954A44.1Very low45.1Very low46 Ų4689.5 Ų89.538%0.3845%0.45SS..Hα-helixtrans-57.3-43.8172.800000111.1T950 A957 I958T950-A954 WeakPolarHBondContact O-CB 3.5Å; T950-A954 PolarHBondContact O-N 2.91Å; A954-A957 WeakPolarHBondContact O-CB 3.41Å; A954-A957 PolarHBondContact O-N 3.48Å; A954-I958 WeakPolarHBondContact O-CG1 3.15Å; A954-I958 PolarHBondContact O-N 3.42Å; A954-I958 VanDerWaalsContact O-N 3.12Å
955F48.3Very low45Very low66 Ų6691.6 Ų91.629%0.28946%0.46SS..Hα-helixtrans-66.1-42.3178-162.4-98.9000112.9F940 L951 R952 E953 A957 I958 V959F940-F955 HydrophobicContact CD1-CE1 4.32Å; F940-F955 AromaticContact CD1-CZ 3.78Å; F940-F955 HydrophobicContact CD1-CZ 3.78Å; F940-F955 HydrophobicContact CE1-CE1 4.04Å; F940-F955 HydrophobicContact CE1-CE2 4.43Å; F940-F955 AromaticContact CE1-CZ 3.38Å; F940-F955 HydrophobicContact CE1-CZ 3.38Å; F940-F955 HydrophobicContact CZ-CZ 4.01Å; L951-F955 VanDerWaalsContact O-CB 3.26Å; L951-F955 WeakPolarHBondContact O-CB 3.26Å; L951-F955 PolarHBondContact O-N 2.95Å; R952-F955 PolarHBondContact O-N 2.92Å; E953-F955 VanDerWaalsContact C-N 3.28Å; E953-F955 PolarHBondContact O-N 3.21Å; F955-A957 VanDerWaalsContact C-N 3.26Å; F955-A957 PolarHBondContact O-N 3.44Å; F955-I958 PolarHBondContact O-N 2.95Å; F955-I958 VanDerWaalsContact O-N 3.1Å; F955-V959 HydrophobicContact CD1-CG2 3.78Å; F955-V959 HydrophobicContact CE1-CG2 3.54Å; F955-V959 HydrophobicContact CZ-CG2 4.23Å; F955-V959 WeakPolarHBondContact O-CG2 3.39Å; F955-V959 PolarHBondContact O-N 3.29Å
956S48.4Very low45Very low46 Ų4687 Ų8732%0.32244%0.444SS..Hα-helixtrans-59.5-38.9175.6-168.60000111.6R952 E953 R960R952-S956 WeakPolarHBondContact O-CB 3.32Å; R952-S956 PolarHBondContact O-N 3.05Å; E953-S956 PolarHBondContact O-N 3.42Å; S956-R960 WeakPolarHBondContact O-CG 3.31Å; S956-R960 PolarHBondContact O-N 2.92Å; S956-R960 PolarHBondContact OG-NH2 3.27Å
957A47.5Very low45.3Very low41 Ų4189.5 Ų89.534%0.33946%0.463SS..Hα-helixtrans-64.6-39.1174.700000112.5E953 A954 F955 R961E953-A957 PolarHBondContact O-N 3.16Å; A954-A957 WeakPolarHBondContact O-CB 3.41Å; A954-A957 PolarHBondContact O-N 3.48Å; F955-A957 VanDerWaalsContact C-N 3.26Å; F955-A957 PolarHBondContact O-N 3.44Å; A957-R961 WeakPolarHBondContact O-CG 3.45Å; A957-R961 PolarHBondContact O-N 2.83Å; A957-R961 VanDerWaalsContact O-N 3.13Å
958I42.8Very low45.5Very low50 Ų5083.9 Ų83.926%0.25645%0.452SS..Hα-helixtrans-66.6-47.3176.8-66.8165.4000111L894 A954 F955 R960 R961 L962L894-I958 HydrophobicContact CD1-CD1 4.27Å; A954-I958 WeakPolarHBondContact O-CG1 3.15Å; A954-I958 PolarHBondContact O-N 3.42Å; A954-I958 VanDerWaalsContact O-N 3.12Å; F955-I958 PolarHBondContact O-N 2.95Å; F955-I958 VanDerWaalsContact O-N 3.1Å; I958-R960 VanDerWaalsContact C-N 3.31Å; I958-R960 PolarHBondContact O-N 2.88Å; I958-R961 PolarHBondContact O-N 3.39Å; I958-R961 VanDerWaalsContact O-N 3.13Å; I958-L962 HydrophobicContact CG2-CD1 3.93Å; I958-L962 PolarHBondContact O-N 2.99Å
959V45.7Very low45.3Very low38 Ų3883.2 Ų83.223%0.2345%0.447CS..Hα-helixtrans-59.4-42.5177.8173.40000111F955 R961 L962 A963 F973F955-V959 HydrophobicContact CD1-CG2 3.78Å; F955-V959 HydrophobicContact CE1-CG2 3.54Å; F955-V959 HydrophobicContact CZ-CG2 4.23Å; F955-V959 WeakPolarHBondContact O-CG2 3.39Å; F955-V959 PolarHBondContact O-N 3.29Å; V959-R961 VanDerWaalsContact C-N 3.35Å; V959-R961 PolarHBondContact O-N 3.13Å; V959-L962 PolarHBondContact O-N 3.36Å; V959-A963 PolarHBondContact O-N 2.82Å; V959-F973 HydrophobicContact CG1-CD1 4.1Å; V959-F973 HydrophobicContact CG1-CE1 3.82Å; V959-F973 HydrophobicContact CG2-CE1 4.37Å
960R46.6Very low44.7Very low176 Ų17680.5 Ų80.566%0.66444%0.439SS*.Hα-helixtrans-62.7-38.7175.7-74-177.9-159.6137.85112.9S956 I958 A964S956-R960 WeakPolarHBondContact O-CG 3.31Å; S956-R960 PolarHBondContact O-N 2.92Å; S956-R960 PolarHBondContact OG-NH2 3.27Å; I958-R960 VanDerWaalsContact C-N 3.31Å; I958-R960 PolarHBondContact O-N 2.88Å; R960-A964 PolarHBondContact O-N 2.89Å; R960-A964 VanDerWaalsContact O-N 3.17Å
961R43.5Very low44.8Very low199 Ų19982.9 Ų82.975%0.75145%0.448SS*.Hα-helixtrans-66.7-40.1175.9-75.9-179.5-177.3179.32.5112A957 I958 V959 A964 T965A957-R961 WeakPolarHBondContact O-CG 3.45Å; A957-R961 PolarHBondContact O-N 2.83Å; A957-R961 VanDerWaalsContact O-N 3.13Å; I958-R961 PolarHBondContact O-N 3.39Å; I958-R961 VanDerWaalsContact O-N 3.13Å; V959-R961 VanDerWaalsContact C-N 3.35Å; V959-R961 PolarHBondContact O-N 3.13Å; R961-A964 PolarHBondContact O-N 2.8Å; R961-T965 PolarHBondContact O-N 3.24Å; R961-T965 PolarHBondContact O-OG1 3.22Å
962L38.2Very low44.9Very low46 Ų4685.6 Ų85.624%0.24145%0.454CS..Hα-helixtrans-66.1-41.7177.5-78.2166.9000112.5L890 I958 V959 T965 M969L890-L962 HydrophobicContact CD1-CD2 4.26Å; I958-L962 HydrophobicContact CG2-CD1 3.93Å; I958-L962 PolarHBondContact O-N 2.99Å; V959-L962 PolarHBondContact O-N 3.36Å; L962-T965 PolarHBondContact O-N 3.19Å; L962-T965 PolarHBondContact O-OG1 2.9Å; L962-M969 HydrophobicContact CB-CE 3.92Å; L962-M969 HydrophobicContact CD2-CE 4.38Å
963A43.3Very low44.4Very low27 Ų2780.1 Ų80.122%0.22343%0.434CS..Hα-helixtrans-62.6-42.2175.800000111.8V959 T965 N966V959-A963 PolarHBondContact O-N 2.82Å; A963-T965 PolarHBondContact O-N 3.47Å; A963-T965 VanDerWaalsContact O-N 3.15Å; A963-N966 PolarHBondContact O-N 3.36Å
964A45.6Very low44.2Very low91 Ų9177.3 Ų77.375%0.75243%0.43SS*.Hα-helixtrans-61.9-24.417900000114R960 R961R960-A964 PolarHBondContact O-N 2.89Å; R960-A964 VanDerWaalsContact O-N 3.17Å; R961-A964 PolarHBondContact O-N 2.8Å
965T42.5Very low44.3Very low109 Ų10977.9 Ų77.967%0.66943%0.431SS*.Hα-helixtrans-87.1-15.3-178.644.10000115R961 L962 A963R961-T965 PolarHBondContact O-N 3.24Å; R961-T965 PolarHBondContact O-OG1 3.22Å; L962-T965 PolarHBondContact O-N 3.19Å; L962-T965 PolarHBondContact O-OG1 2.9Å; A963-T965 PolarHBondContact O-N 3.47Å; A963-T965 VanDerWaalsContact O-N 3.15Å
966N43.8Very low44.1Very low71 Ų7177.3 Ų77.338%0.3843%0.431SS..  trans-154.2108.5-178.8-162.2-26.9000113.4A963 A968 M969A963-N966 PolarHBondContact O-N 3.36Å; N966-A968 PolarHBondContact O-N 3.19Å; N966-A968 WeakPolarHBondContact OD1-CB 3.42Å; N966-A968 PolarHBondContact OD1-N 3.01Å; N966-A968 VanDerWaalsContact OD1-N 3.08Å; N966-M969 HydrophobicContact CB-CG 4.41Å; N966-M969 WeakPolarHBondContact O-CB 3.41Å; N966-M969 PolarHBondContact O-N 3.05Å
967P47.3Very low43.7Very low100 Ų10077.2 Ų77.265%0.64943%0.43SS*.Hα-helixtrans-68.6-18.2-179.527-33.2000113.6M969 D970P967-M969 VanDerWaalsContact C-N 3.26Å; P967-M969 PolarHBondContact O-N 2.65Å; P967-D970 WeakPolarHBondContact O-CB 3.21Å; P967-D970 PolarHBondContact O-N 2.83Å; P967-D970 VanDerWaalsContact O-N 3.1Å
968A46.8Very low43.4Very low72 Ų7280.5 Ų80.560%0.59544%0.441SS*.Hα-helixtrans-70.8-27.5172.200000111.7N966 D970N966-A968 PolarHBondContact O-N 3.19Å; N966-A968 WeakPolarHBondContact OD1-CB 3.42Å; N966-A968 PolarHBondContact OD1-N 3.01Å; N966-A968 VanDerWaalsContact OD1-N 3.08Å; A968-D970 VanDerWaalsContact C-N 3.3Å
969M40.3Very low43.5Very low34 Ų3482.4 Ų82.417%0.16745%0.452CS..Hα-helixtrans-67.3-31.6168-78-137.6-6700111L962 N966 P967 I971 W972 F973L962-M969 HydrophobicContact CB-CE 3.92Å; L962-M969 HydrophobicContact CD2-CE 4.38Å; N966-M969 HydrophobicContact CB-CG 4.41Å; N966-M969 WeakPolarHBondContact O-CB 3.41Å; N966-M969 PolarHBondContact O-N 3.05Å; P967-M969 VanDerWaalsContact C-N 3.26Å; P967-M969 PolarHBondContact O-N 2.65Å; M969-I971 PolarHBondContact O-N 2.75Å; M969-W972 PolarHBondContact O-N 3.01Å; M969-W972 VanDerWaalsContact O-N 3.12Å; M969-F973 HydrophobicContact CB-CD2 4.18Å; M969-F973 HydrophobicContact CE-CD2 4.14Å; M969-F973 HydrophobicContact CE-CE2 3.98Å; M969-F973 HydrophobicContact CG-CD2 4.43Å; M969-F973 WeakPolarHBondContact O-CA 3.48Å; M969-F973 WeakPolarHBondContact O-CB 3.49Å; M969-F973 PolarHBondContact O-N 3.12Å; M969-F973 HydrophobicContact SD-CD2 3.57Å; M969-F973 VanDerWaalsContact SD-CD2 3.57Å; M969-F973 HydrophobicContact SD-CE2 3.59Å; M969-F973 VanDerWaalsContact SD-CE2 3.59Å
970D37.4Very low43.3Very low83 Ų8383.6 Ų83.644%0.44446%0.459SS..Hα-helixtrans-54.6-32.5-179.5-83.7-18000112.7P967 A968 A974P967-D970 WeakPolarHBondContact O-CB 3.21Å; P967-D970 PolarHBondContact O-N 2.83Å; P967-D970 VanDerWaalsContact O-N 3.1Å; A968-D970 VanDerWaalsContact C-N 3.3Å; D970-A974 VanDerWaalsContact O-CA 3.25Å; D970-A974 WeakPolarHBondContact O-CA 3.34Å; D970-A974 WeakPolarHBondContact O-CB 3.26Å; D970-A974 PolarHBondContact O-N 3.04Å
971I45.5Very low42.9Very low136 Ų13681.4 Ų81.470%0.69746%0.455SS*.Hα-helixtrans-77.5-45.4178.7-57.2173.8000111.6M969 S975M969-I971 PolarHBondContact O-N 2.75Å; I971-S975 WeakPolarHBondContact O-CB 3.46Å; I971-S975 PolarHBondContact O-N 3.14Å
972W45Very low42.8Very low114 Ų11475.1 Ų75.143%0.43244%0.439SS..Hα-helixtrans-73.7-41.9179.4-178.576.7000111.9M969 S975 L976M969-W972 PolarHBondContact O-N 3.01Å; M969-W972 VanDerWaalsContact O-N 3.12Å; W972-S975 PolarHBondContact O-N 3.46Å; W972-L976 HydrophobicContact CH2-CD2 3.6Å; W972-L976 HydrophobicContact CZ2-CD2 3.93Å; W972-L976 HydrophobicContact CZ3-CD2 4Å; W972-L976 VanDerWaalsContact O-CB 3.24Å; W972-L976 WeakPolarHBondContact O-CB 3.44Å; W972-L976 PolarHBondContact O-N 2.76Å
973F40.6Very low42.9Very low26 Ų2678.4 Ų78.411%0.11446%0.456CS..Hα-helixtrans-68.9-37.5170.7-107.7-86.8000111.4V959 M969 S975 S977V959-F973 HydrophobicContact CG1-CD1 4.1Å; V959-F973 HydrophobicContact CG1-CE1 3.82Å; V959-F973 HydrophobicContact CG2-CE1 4.37Å; M969-F973 HydrophobicContact CB-CD2 4.18Å; M969-F973 HydrophobicContact CE-CD2 4.14Å; M969-F973 HydrophobicContact CE-CE2 3.98Å; M969-F973 HydrophobicContact CG-CD2 4.43Å; M969-F973 WeakPolarHBondContact O-CA 3.48Å; M969-F973 WeakPolarHBondContact O-CB 3.49Å; M969-F973 PolarHBondContact O-N 3.12Å; M969-F973 HydrophobicContact SD-CD2 3.57Å; M969-F973 VanDerWaalsContact SD-CD2 3.57Å; M969-F973 HydrophobicContact SD-CE2 3.59Å; M969-F973 VanDerWaalsContact SD-CE2 3.59Å; F973-S975 VanDerWaalsContact C-N 3.31Å; F973-S977 VanDerWaalsContact O-CA 3.26Å; F973-S977 WeakPolarHBondContact O-CA 3.35Å; F973-S977 WeakPolarHBondContact O-CB 3.37Å; F973-S977 PolarHBondContact O-N 3.28Å; F973-S977 PolarHBondContact O-OG 2.79Å
974A44.7Very low42.5Very low52 Ų5280 Ų8043%0.4346%0.46SS..Hα-helixtrans-65.5-37.5170.400000110.1D970 S977 L978D970-A974 VanDerWaalsContact O-CA 3.25Å; D970-A974 WeakPolarHBondContact O-CA 3.34Å; D970-A974 WeakPolarHBondContact O-CB 3.26Å; D970-A974 PolarHBondContact O-N 3.04Å; A974-S977 WeakPolarHBondContact CA-OG 3.42Å; A974-L978 VanDerWaalsContact O-CA 3.3Å; A974-L978 WeakPolarHBondContact O-CA 3.07Å; A974-L978 WeakPolarHBondContact O-CB 3.02Å; A974-L978 PolarHBondContact O-N 3.44Å
975S46.4Very low42.2Very low59 Ų5979 Ų7941%0.41344%0.442SS..Hα-helixtrans-67.8-47.3175.9-179.80000112.1I971 W972 F973 L978 N979I971-S975 WeakPolarHBondContact O-CB 3.46Å; I971-S975 PolarHBondContact O-N 3.14Å; W972-S975 PolarHBondContact O-N 3.46Å; F973-S975 VanDerWaalsContact C-N 3.31Å; S975-L978 PolarHBondContact O-N 3.02Å; S975-N979 WeakPolarHBondContact O-CB 3.45Å; S975-N979 PolarHBondContact O-N 3.08Å; S975-N979 PolarHBondContact O-ND2 3.3Å
976L43.8Very low42.2Very low54 Ų5478.1 Ų78.128%0.28344%0.437SS..Hα-helixtrans-71-42.9179.1-170.777.2000111.1W972 N979 V980W972-L976 HydrophobicContact CH2-CD2 3.6Å; W972-L976 HydrophobicContact CZ2-CD2 3.93Å; W972-L976 HydrophobicContact CZ3-CD2 4Å; W972-L976 VanDerWaalsContact O-CB 3.24Å; W972-L976 WeakPolarHBondContact O-CB 3.44Å; W972-L976 PolarHBondContact O-N 2.76Å; L976-N979 PolarHBondContact O-N 2.87Å; L976-V980 HydrophobicContact CG-CG2 4.3Å; L976-V980 WeakPolarHBondContact O-CA 3.32Å; L976-V980 WeakPolarHBondContact O-CB 3.45Å; L976-V980 WeakPolarHBondContact O-CG2 3.48Å; L976-V980 PolarHBondContact O-N 3.09Å
977S40.3Very low41.7Very low43 Ų4378.6 Ų78.630%0.30144%0.439SS..Hα-helixtrans-69.5-35.517472.20000110.6F973 A974 V980 F981F973-S977 VanDerWaalsContact O-CA 3.26Å; F973-S977 WeakPolarHBondContact O-CA 3.35Å; F973-S977 WeakPolarHBondContact O-CB 3.37Å; F973-S977 PolarHBondContact O-N 3.28Å; F973-S977 PolarHBondContact O-OG 2.79Å; A974-S977 WeakPolarHBondContact CA-OG 3.42Å; S977-V980 CarbonylContact O-C 3.46Å; S977-V980 PolarHBondContact O-N 2.92Å; S977-F981 VanDerWaalsContact O-CA 3.23Å; S977-F981 WeakPolarHBondContact O-CA 3.47Å; S977-F981 WeakPolarHBondContact O-CB 3.3Å; S977-F981 WeakPolarHBondContact O-CD2 2.97Å; S977-F981 PolarHBondContact O-N 2.8Å
978L42.3Very low41.1Very low110 Ų11078.4 Ų78.458%0.57643%0.432SS*.Hα-helixtrans-68-38.1172.1-172.380000110.3A974 S975 T982A974-L978 VanDerWaalsContact O-CA 3.3Å; A974-L978 WeakPolarHBondContact O-CA 3.07Å; A974-L978 WeakPolarHBondContact O-CB 3.02Å; A974-L978 PolarHBondContact O-N 3.44Å; S975-L978 PolarHBondContact O-N 3.02Å; L978-T982 WeakPolarHBondContact O-CA 3.3Å; L978-T982 VanDerWaalsContact O-CB 3.24Å; L978-T982 WeakPolarHBondContact O-CB 3.43Å; L978-T982 WeakPolarHBondContact O-CG2 3.4Å; L978-T982 PolarHBondContact O-N 2.79Å; L978-T982 PolarHBondContact O-OG1 3.43Å
979N44.6Very low40.6Very low91 Ų9181.6 Ų81.649%0.48743%0.432SS..Hα-helixtrans-69.8-42.3175.4-73.5-19.1000111.2S975 L976 T982 L983S975-N979 WeakPolarHBondContact O-CB 3.45Å; S975-N979 PolarHBondContact O-N 3.08Å; S975-N979 PolarHBondContact O-ND2 3.3Å; L976-N979 PolarHBondContact O-N 2.87Å; N979-T982 VanDerWaalsContact CA-OG1 3.3Å; N979-T982 WeakPolarHBondContact CA-OG1 3.25Å; N979-T982 PolarHBondContact O-OG1 3.41Å; N979-L983 WeakPolarHBondContact O-CB 3.42Å; N979-L983 PolarHBondContact O-N 3.06Å
980V40.2Very low40.7Very low63 Ų6382.7 Ų82.738%0.38244%0.441SS..Hα-helixtrans-74.8-33177171.90000110.7L976 S977 L983 L984L976-V980 HydrophobicContact CG-CG2 4.3Å; L976-V980 WeakPolarHBondContact O-CA 3.32Å; L976-V980 WeakPolarHBondContact O-CB 3.45Å; L976-V980 WeakPolarHBondContact O-CG2 3.48Å; L976-V980 PolarHBondContact O-N 3.09Å; S977-V980 CarbonylContact O-C 3.46Å; S977-V980 PolarHBondContact O-N 2.92Å; V980-L983 CarbonylContact O-C 3.45Å; V980-L984 HydrophobicContact CG1-CD1 3.75Å; V980-L984 HydrophobicContact CG1-CG 4.41Å; V980-L984 WeakPolarHBondContact O-CA 3.37Å; V980-L984 WeakPolarHBondContact O-CB 3.07Å; V980-L984 WeakPolarHBondContact O-CD1 3.26Å; V980-L984 VanDerWaalsContact O-CG 3.23Å; V980-L984 WeakPolarHBondContact O-CG 3.49Å; V980-L984 PolarHBondContact O-N 3.05Å
981F37.9Very low40.6Very low130 Ų13083.5 Ų83.557%0.5745%0.452SS*.Hα-helixtrans-74.9-37.4172.2-93.2-78.3000110.5S977 L983 L984 D985S977-F981 VanDerWaalsContact O-CA 3.23Å; S977-F981 WeakPolarHBondContact O-CA 3.47Å; S977-F981 WeakPolarHBondContact O-CB 3.3Å; S977-F981 WeakPolarHBondContact O-CD2 2.97Å; S977-F981 PolarHBondContact O-N 2.8Å; F981-L983 VanDerWaalsContact C-N 3.35Å; F981-L984 CarbonylContact O-C 3.56Å; F981-L984 PolarHBondContact O-N 3.2Å; F981-D985 VanDerWaalsContact O-CA 3.31Å; F981-D985 WeakPolarHBondContact O-CA 3.28Å; F981-D985 WeakPolarHBondContact O-CB 3.47Å; F981-D985 PolarHBondContact O-N 3.31Å
982T43Very low40.1Very low67 Ų6780.3 Ų80.341%0.41145%0.453SS..Hα-helixtrans-70.4-37.8171.637.80000109.5L978 N979 L984 D985 V986L978-T982 WeakPolarHBondContact O-CA 3.3Å; L978-T982 VanDerWaalsContact O-CB 3.24Å; L978-T982 WeakPolarHBondContact O-CB 3.43Å; L978-T982 WeakPolarHBondContact O-CG2 3.4Å; L978-T982 PolarHBondContact O-N 2.79Å; L978-T982 PolarHBondContact O-OG1 3.43Å; N979-T982 VanDerWaalsContact CA-OG1 3.3Å; N979-T982 WeakPolarHBondContact CA-OG1 3.25Å; N979-T982 PolarHBondContact O-OG1 3.41Å; T982-L984 VanDerWaalsContact C-N 3.34Å; T982-D985 PolarHBondContact O-N 2.92Å; T982-V986 WeakPolarHBondContact O-CA 3.42Å; T982-V986 WeakPolarHBondContact O-CB 3.2Å; T982-V986 WeakPolarHBondContact O-CG2 3.25Å; T982-V986 PolarHBondContact O-N 2.87Å
983L39.5Very low39.6Very low114 Ų11479.7 Ų79.760%0.59747%0.466SS*.Hα-helixtrans-64.4-41.3170.7-148.396.7000110.8N979 V980 F981 L987N979-L983 WeakPolarHBondContact O-CB 3.42Å; N979-L983 PolarHBondContact O-N 3.06Å; V980-L983 CarbonylContact O-C 3.45Å; F981-L983 VanDerWaalsContact C-N 3.35Å; L983-L987 HydrophobicContact CD2-CD1 4.16Å; L983-L987 HydrophobicContact CG-CD1 4.42Å; L983-L987 WeakPolarHBondContact O-CB 3.41Å; L983-L987 WeakPolarHBondContact O-CD1 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.43Å; L983-L987 PolarHBondContact O-N 3.17Å
984L35.6Very low39.5Very low60 Ų6082.4 Ų82.431%0.31448%0.483SS..Hα-helixtrans-73.1-29.3177.1-88.6160000112.5V980 F981 T982 L987 L988V980-L984 HydrophobicContact CG1-CD1 3.75Å; V980-L984 HydrophobicContact CG1-CG 4.41Å; V980-L984 WeakPolarHBondContact O-CA 3.37Å; V980-L984 WeakPolarHBondContact O-CB 3.07Å; V980-L984 WeakPolarHBondContact O-CD1 3.26Å; V980-L984 VanDerWaalsContact O-CG 3.23Å; V980-L984 WeakPolarHBondContact O-CG 3.49Å; V980-L984 PolarHBondContact O-N 3.05Å; F981-L984 CarbonylContact O-C 3.56Å; F981-L984 PolarHBondContact O-N 3.2Å; T982-L984 VanDerWaalsContact C-N 3.34Å; L984-L987 CarbonylContact O-C 3.45Å; L984-L987 PolarHBondContact O-N 3.28Å; L984-L988 WeakPolarHBondContact O-CA 3.42Å; L984-L988 WeakPolarHBondContact O-CB 3.21Å; L984-L988 WeakPolarHBondContact O-CD1 3.22Å; L984-L988 WeakPolarHBondContact O-CG 3.44Å; L984-L988 PolarHBondContact O-N 3.19Å
985D38.4Very low39.3Very low71 Ų7183.9 Ų83.938%0.3849%0.486SS..Hα-helixtrans-86.3-31.7-179.8-165.954.1000108.7F981 T982 K989F981-D985 VanDerWaalsContact O-CA 3.31Å; F981-D985 WeakPolarHBondContact O-CA 3.28Å; F981-D985 WeakPolarHBondContact O-CB 3.47Å; F981-D985 PolarHBondContact O-N 3.31Å; T982-D985 PolarHBondContact O-N 2.92Å; D985-K989 WeakPolarHBondContact O-CA 2.92Å; D985-K989 WeakPolarHBondContact O-CB 3.12Å; D985-K989 WeakPolarHBondContact O-CD 3.11Å; D985-K989 WeakPolarHBondContact O-CG 3.32Å; D985-K989 PolarHBondContact O-N 3.06Å; D985-K989 WeakPolarHBondContact OD2-CE 3.29Å; D985-K989 IonicContact OD2-NZ 3Å; D985-K989 PolarHBondContact OD2-NZ 3.15Å
986V42.3Very low38.9Very low91 Ų9185.3 Ų85.355%0.55249%0.49SS*.Hα-helixtrans-63-48.1159.9169.80000108.7T982 L988 K989 V990T982-V986 WeakPolarHBondContact O-CA 3.42Å; T982-V986 WeakPolarHBondContact O-CB 3.2Å; T982-V986 WeakPolarHBondContact O-CG2 3.25Å; T982-V986 PolarHBondContact O-N 2.87Å; V986-L988 PolarHBondContact O-N 3.04Å; V986-K989 PolarHBondContact O-N 3.34Å; V986-V990 HydrophobicContact CG1-CG2 4.44Å; V986-V990 WeakPolarHBondContact O-CB 3.5Å; V986-V990 WeakPolarHBondContact O-CG2 3.21Å; V986-V990 PolarHBondContact O-N 2.96Å
987L33.9Very low38.6Very low80 Ų8087.2 Ų87.242%0.41950%0.502SS..Hα-helixtrans-68.6-32.6178.6-75.4163.9000112.9L983 L984 V990 C991L983-L987 HydrophobicContact CD2-CD1 4.16Å; L983-L987 HydrophobicContact CG-CD1 4.42Å; L983-L987 WeakPolarHBondContact O-CB 3.41Å; L983-L987 WeakPolarHBondContact O-CD1 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.43Å; L983-L987 PolarHBondContact O-N 3.17Å; L984-L987 CarbonylContact O-C 3.45Å; L984-L987 PolarHBondContact O-N 3.28Å; L987-V990 CarbonylContact O-C 3.39Å; L987-C991 WeakPolarHBondContact O-CB 3.49Å; L987-C991 PolarHBondContact O-N 3.06Å; L987-C991 PolarHBondContact O-SG 3.49Å
988L34.2Very low38.5Very low97 Ų9789.9 Ų89.951%0.50852%0.515SS..Hα-helixtrans-83.8-29.8178.1-81164000111.1L984 V986 V990 C991 G992L984-L988 WeakPolarHBondContact O-CA 3.42Å; L984-L988 WeakPolarHBondContact O-CB 3.21Å; L984-L988 WeakPolarHBondContact O-CD1 3.22Å; L984-L988 WeakPolarHBondContact O-CG 3.44Å; L984-L988 PolarHBondContact O-N 3.19Å; V986-L988 PolarHBondContact O-N 3.04Å; L988-V990 VanDerWaalsContact C-N 3.29Å; L988-C991 CarbonylContact O-C 3.45Å; L988-C991 PolarHBondContact O-N 3.48Å; L988-G992 WeakPolarHBondContact O-CA 3.22Å; L988-G992 PolarHBondContact O-N 3.47Å
989K37.7Very low38.2Very low138 Ų13888.6 Ų88.660%0.651%0.511SS*.Hα-helixtrans-69.3-34.3165-76.8167.6174.3152.20110.5D985 V986 S993D985-K989 WeakPolarHBondContact O-CA 2.92Å; D985-K989 WeakPolarHBondContact O-CB 3.12Å; D985-K989 WeakPolarHBondContact O-CD 3.11Å; D985-K989 WeakPolarHBondContact O-CG 3.32Å; D985-K989 PolarHBondContact O-N 3.06Å; D985-K989 WeakPolarHBondContact OD2-CE 3.29Å; D985-K989 IonicContact OD2-NZ 3Å; D985-K989 PolarHBondContact OD2-NZ 3.15Å; V986-K989 PolarHBondContact O-N 3.34Å; K989-S993 PolarHBondContact O-OG 3.25Å; K989-S993 VanDerWaalsContact O-OG 3.08Å
990V41.6Very low37.8Very low57 Ų5788.4 Ų88.435%0.34551%0.512SS..Hα-helixtrans-73-29.5170.61720000111A847 V986 L987 L988A847-V990 HydrophobicContact CB-CG1 3.83Å; A847-V990 WeakPolarHBondContact CB-O 3.49Å; V986-V990 HydrophobicContact CG1-CG2 4.44Å; V986-V990 WeakPolarHBondContact O-CB 3.5Å; V986-V990 WeakPolarHBondContact O-CG2 3.21Å; V986-V990 PolarHBondContact O-N 2.96Å; L987-V990 CarbonylContact O-C 3.39Å; L988-V990 VanDerWaalsContact C-N 3.29Å
991C35.9Very low37.6Very low100 Ų10090.4 Ų90.468%0.67652%0.522SS*.Hα-helixtrans-99.9-10.9-178.9-67.90000114.7L987 L988L987-C991 WeakPolarHBondContact O-CB 3.49Å; L987-C991 PolarHBondContact O-N 3.06Å; L987-C991 PolarHBondContact O-SG 3.49Å; L988-C991 CarbonylContact O-C 3.45Å; L988-C991 PolarHBondContact O-N 3.48Å
992G34.6Very low37.5Very low70 Ų7087.1 Ų87.172%0.72252%0.519SS*.Hα-helixtrans-105.4-2.7-174.800000114.1L988L988-G992 WeakPolarHBondContact O-CA 3.22Å; L988-G992 PolarHBondContact O-N 3.47Å
993S33.8Very low37Very low100 Ų10088.9 Ų88.970%0.69953%0.528SS*.  trans-116.90162.564.20000109K989K989-S993 PolarHBondContact O-OG 3.25Å; K989-S993 VanDerWaalsContact O-OG 3.08Å

Retrieved 993 of 993 residues in 2887.9 ms (Link to these results)

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