A0A077YYG1_TRITR Loading...

Dynamin 1 protein

AlphaFold DB , UniProt , Accession A0A077YYG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 715 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
1M51.4Low76Confident170 Ų17044 Ų4484%0.83723%0.225SC*.  0-45.20-92.2-67.9-165.200110.9G3 L4 M285M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.11Å; M1-L4 WeakPolarHBondContact O-CG 3.32Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-L4 VanDerWaalsContact O-N 3.07Å; M1-M285 HydrophobicContact CB-CE 3.89Å; M1-M285 WeakPolarHBondContact O-CE 3.29Å
2D60Low76.5Confident86 Ų8641.8 Ų41.846%0.4621%0.213SC..THydrogen-bonded Turntrans-63.5-22.1-160.2-50-88000114.9L4 I5 N132D2-L4 PolarHBondContact O-N 2.88Å; D2-I5 PolarHBondContact O-N 3.02Å; D2-I5 VanDerWaalsContact O-N 3.11Å; D2-N132 PolarHBondContact O-ND2 3.16Å
3G72.2Confident76.8Confident20 Ų2041.6 Ų41.621%0.20621%0.213CC..Hα-helixtrans-60.9-8.1169.600000115.3M1 I5 E6 V7M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-I5 PolarHBondContact O-N 3.3Å; G3-E6 PolarHBondContact O-N 3.2Å; G3-V7 WeakPolarHBondContact O-CB 2.99Å; G3-V7 WeakPolarHBondContact O-CG2 3.16Å; G3-V7 PolarHBondContact O-N 2.9Å
4L78.6Confident77.2Confident12 Ų1240.6 Ų40.66%0.06321%0.21CC..Hα-helixtrans-59.6-35167.2-74.8-178.6000112.3M1 D2 V8 M285 I288 K289 L292 V709M1-L4 WeakPolarHBondContact O-CG 3.32Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-L4 VanDerWaalsContact O-N 3.07Å; D2-L4 PolarHBondContact O-N 2.88Å; L4-V8 PolarHBondContact O-N 3.5Å; L4-M285 HydrophobicContact CB-CE 4.16Å; L4-M285 HydrophobicContact CB-SD 3.93Å; L4-M285 HydrophobicContact CD1-CE 4.01Å; L4-M285 HydrophobicContact CD1-SD 4.48Å; L4-M285 HydrophobicContact CG-CE 4.43Å; L4-I288 HydrophobicContact CB-CG2 4.2Å; L4-K289 HydrophobicContact CD1-CB 4.46Å; L4-L292 HydrophobicContact CD2-CD1 4.18Å; L4-V709 HydrophobicContact CD2-CG1 3.44Å; L4-V709 VanDerWaalsContact CD2-CG1 3.44Å; L4-V709 HydrophobicContact CD2-CG2 4.29Å
5I79.1Confident77.4Confident1 Ų138.4 Ų38.41%0.00520%0.198CC..Hα-helixtrans-77.8-39.8177.5-70.1169.4000110.5D2 G3 V7 V8 N9 N132 L284 M285 I288D2-I5 PolarHBondContact O-N 3.02Å; D2-I5 VanDerWaalsContact O-N 3.11Å; G3-I5 PolarHBondContact O-N 3.3Å; I5-V7 PolarHBondContact O-N 2.95Å; I5-V8 PolarHBondContact O-N 2.79Å; I5-V8 VanDerWaalsContact O-N 3.08Å; I5-N9 VanDerWaalsContact O-CG 3.3Å; I5-N9 PolarHBondContact O-N 2.9Å; I5-N132 HydrophobicContact CB-CB 4.18Å; I5-N132 HydrophobicContact CD1-CB 3.88Å; I5-N132 WeakPolarHBondContact CD1-O 3.1Å; I5-N132 HydrophobicContact CG2-CB 4.14Å; I5-L284 HydrophobicContact CD1-CD2 4.03Å; I5-L284 HydrophobicContact CD1-CG 4.47Å; I5-L284 HydrophobicContact CG1-CD2 4.27Å; I5-M285 HydrophobicContact CD1-CG 3.96Å; I5-M285 HydrophobicContact CD1-SD 3.73Å; I5-M285 HydrophobicContact CG1-SD 3.77Å; I5-I288 HydrophobicContact CG1-CD1 3.62Å
6E81Confident77.5Confident85 Ų8541.4 Ų41.440%0.39721%0.207SC..Hα-helixtrans-57.1-39.9171.8-65167.1-145.400111.9G3 N9 K10G3-E6 PolarHBondContact O-N 3.2Å; E6-N9 PolarHBondContact O-N 3.15Å; E6-K10 WeakPolarHBondContact O-CG 3.35Å; E6-K10 PolarHBondContact O-N 3.09Å
7V81.9Confident77.2Confident5 Ų543.2 Ų43.23%0.0323%0.23CC..Hα-helixtrans-63.7-42.8174.2159.50000111.8G3 I5 N9 K10 L11 I705 V709G3-V7 WeakPolarHBondContact O-CB 2.99Å; G3-V7 WeakPolarHBondContact O-CG2 3.16Å; G3-V7 PolarHBondContact O-N 2.9Å; I5-V7 PolarHBondContact O-N 2.95Å; V7-N9 VanDerWaalsContact C-N 3.32Å; V7-N9 PolarHBondContact O-N 3.35Å; V7-K10 PolarHBondContact O-N 3.47Å; V7-L11 HydrophobicContact CG1-CD1 3.82Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 WeakPolarHBondContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.17Å; V7-L11 PolarHBondContact O-N 3.48Å; V7-I705 HydrophobicContact CB-CG2 4.38Å; V7-I705 HydrophobicContact CG1-CG2 3.75Å; V7-I705 HydrophobicContact CG2-CG2 4.31Å; V7-V709 HydrophobicContact CB-CG2 3.97Å; V7-V709 HydrophobicContact CG1-CG2 3.59Å; V7-V709 HydrophobicContact CG2-CG2 3.67Å
8V82.4Confident76.8Confident5 Ų541.7 Ų41.73%0.0323%0.225CC..Hα-helixtrans-64.4-37.7174.91720000111.6L4 I5 L11 Q12 L25 I288L4-V8 PolarHBondContact O-N 3.5Å; I5-V8 PolarHBondContact O-N 2.79Å; I5-V8 VanDerWaalsContact O-N 3.08Å; V8-L11 PolarHBondContact O-N 3.39Å; V8-Q12 WeakPolarHBondContact O-CB 3.33Å; V8-Q12 PolarHBondContact O-N 2.92Å; V8-L25 HydrophobicContact CG1-CB 4.31Å; V8-L25 HydrophobicContact CG1-CD1 4.44Å; V8-I288 HydrophobicContact CB-CD1 4.42Å; V8-I288 HydrophobicContact CG2-CD1 3.85Å; V8-I288 HydrophobicContact CG2-CG1 3.93Å; V8-I288 HydrophobicContact CG2-CG2 3.86Å
9N81.7Confident76.4Confident9 Ų942.3 Ų42.35%0.04824%0.242CC..Hα-helixtrans-64.7-46.3175.7-65.8-12000111.4I5 E6 V7 L11 Q12 D13 Q66 T134I5-N9 VanDerWaalsContact O-CG 3.3Å; I5-N9 PolarHBondContact O-N 2.9Å; E6-N9 PolarHBondContact O-N 3.15Å; V7-N9 VanDerWaalsContact C-N 3.32Å; V7-N9 PolarHBondContact O-N 3.35Å; N9-L11 VanDerWaalsContact C-N 3.33Å; N9-L11 PolarHBondContact O-N 2.91Å; N9-Q12 WeakPolarHBondContact O-CB 3.43Å; N9-Q12 PolarHBondContact O-N 3.32Å; N9-Q12 VanDerWaalsContact O-N 3.15Å; N9-D13 PolarHBondContact O-N 2.84Å; N9-Q66 VanDerWaalsContact CG-CD 3.45Å; N9-Q66 WeakPolarHBondContact OD1-CG 3.43Å; N9-T134 PolarHBondContact OD1-OG1 2.89Å
10K84.1Confident75.9Confident90 Ų9041 Ų4139%0.39124%0.235SC..Hα-helixtrans-58.6-41.1172.1-71.6172.3-179.9177.40112.4E6 V7 Q12 D13 V14 I705E6-K10 WeakPolarHBondContact O-CG 3.35Å; E6-K10 PolarHBondContact O-N 3.09Å; V7-K10 PolarHBondContact O-N 3.47Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-D13 PolarHBondContact O-N 2.71Å; K10-V14 WeakPolarHBondContact O-CG2 3.29Å; K10-V14 PolarHBondContact O-N 3.45Å; K10-V14 VanDerWaalsContact O-N 3.16Å; K10-I705 HydrophobicContact CB-CD1 4.2Å; K10-I705 HydrophobicContact CB-CG2 4.22Å
11L84.2Confident75.3Confident1 Ų145 Ų451%0.00526%0.255CS..Hα-helixtrans-65.2-38.3175.8-73166.9000111.5V7 V8 N9 V14 L15 L25 L295 A702 I705 I706V7-L11 HydrophobicContact CG1-CD1 3.82Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 WeakPolarHBondContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.17Å; V7-L11 PolarHBondContact O-N 3.48Å; V8-L11 PolarHBondContact O-N 3.39Å; N9-L11 VanDerWaalsContact C-N 3.33Å; N9-L11 PolarHBondContact O-N 2.91Å; L11-V14 PolarHBondContact O-N 3.38Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 VanDerWaalsContact O-CG 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.23Å; L11-L15 PolarHBondContact O-N 2.79Å; L11-L25 HydrophobicContact CB-CD1 4.23Å; L11-L25 HydrophobicContact CB-CD2 4.14Å; L11-L295 HydrophobicContact CD1-CD2 4.15Å; L11-A702 HydrophobicContact CD2-CB 3.71Å; L11-A702 WeakPolarHBondContact CD2-O 3.23Å; L11-I705 HydrophobicContact CD1-CG2 4.49Å; L11-I705 HydrophobicContact CD2-CB 4.12Å; L11-I705 HydrophobicContact CD2-CG2 3.94Å; L11-I705 HydrophobicContact CG-CG2 3.82Å; L11-I706 HydrophobicContact CD1-CD1 4.07Å; L11-I706 HydrophobicContact CD1-CG1 3.8Å; L11-I706 HydrophobicContact CD2-CD1 4.11Å; L11-I706 HydrophobicContact CD2-CG1 4.01Å
12Q81.9Confident76Confident18 Ų1843.7 Ų43.78%0.08425%0.248CC..Hα-helixtrans-63.9-45.9177-169.1-179.7-22.800111.2V8 N9 K10 V14 L15 Y16 L25 Q66V8-Q12 WeakPolarHBondContact O-CB 3.33Å; V8-Q12 PolarHBondContact O-N 2.92Å; N9-Q12 WeakPolarHBondContact O-CB 3.43Å; N9-Q12 PolarHBondContact O-N 3.32Å; N9-Q12 VanDerWaalsContact O-N 3.15Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; Q12-V14 PolarHBondContact O-N 2.81Å; Q12-L15 PolarHBondContact O-N 2.89Å; Q12-Y16 WeakPolarHBondContact O-CB 3.44Å; Q12-Y16 PolarHBondContact O-N 2.94Å; Q12-L25 VanDerWaalsContact CA-CD1 3.42Å; Q12-L25 HydrophobicContact CB-CD1 3.56Å; Q12-L25 HydrophobicContact CG-CD1 4.12Å; Q12-Q66 VanDerWaalsContact CD-NE2 3.3Å
13D80.4Confident76.7Confident39 Ų3940.3 Ų40.321%0.20923%0.229CC..Hα-helixtrans-55.7-50.4175.7-67.3-37000111.5N9 K10 A17 K124N9-D13 PolarHBondContact O-N 2.84Å; K10-D13 PolarHBondContact O-N 2.71Å; D13-A17 VanDerWaalsContact O-CB 3.25Å; D13-A17 WeakPolarHBondContact O-CB 3.36Å; D13-A17 PolarHBondContact O-N 2.69Å; D13-K124 WeakPolarHBondContact OD1-CE 3.26Å; D13-K124 IonicContact OD1-NZ 3.91Å; D13-K124 PolarHBondContact OD1-NZ 2.96Å; D13-K124 IonicContact OD2-NZ 3.53Å; D13-K124 PolarHBondContact OD2-NZ 3.06Å
14V82.3Confident77Confident28 Ų2843.3 Ų43.317%0.1724%0.238CC..Hα-helixtrans-68.4-42.2-176.5172.80000112.3K10 L11 Q12 A18 S698 K701 A702 I705K10-V14 WeakPolarHBondContact O-CG2 3.29Å; K10-V14 PolarHBondContact O-N 3.45Å; K10-V14 VanDerWaalsContact O-N 3.16Å; L11-V14 PolarHBondContact O-N 3.38Å; Q12-V14 PolarHBondContact O-N 2.81Å; V14-A18 WeakPolarHBondContact O-CB 3.36Å; V14-A18 PolarHBondContact O-N 3.5Å; V14-A18 VanDerWaalsContact O-N 3.1Å; V14-S698 WeakPolarHBondContact CG1-O 3.49Å; V14-K701 HydrophobicContact CG1-CB 4.05Å; V14-A702 HydrophobicContact CG1-CB 4.22Å; V14-I705 HydrophobicContact CG2-CD1 3.96Å
15L80.4Confident77.3Confident7 Ų743.5 Ų43.54%0.03724%0.239CC..Hα-helixtrans-71.9-36179.1-69.7171.6000112.2L11 Q12 A18 G19 C20 I23 L25 L699 A702L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 VanDerWaalsContact O-CG 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.23Å; L11-L15 PolarHBondContact O-N 2.79Å; Q12-L15 PolarHBondContact O-N 2.89Å; L15-A18 PolarHBondContact O-N 3.11Å; L15-G19 PolarHBondContact O-N 3.24Å; L15-C20 HydrophobicContact CB-CB 4.32Å; L15-C20 HydrophobicContact CD2-CB 3.83Å; L15-C20 PolarHBondContact O-N 3.48Å; L15-I23 HydrophobicContact CD1-CB 4.12Å; L15-I23 HydrophobicContact CD1-CG2 3.71Å; L15-I23 HydrophobicContact CD2-CB 4.32Å; L15-I23 HydrophobicContact CD2-CD1 3.94Å; L15-I23 HydrophobicContact CD2-CG2 4.43Å; L15-L25 HydrophobicContact CD1-CD1 4.23Å; L15-L25 HydrophobicContact CD1-CD2 3.94Å; L15-L25 HydrophobicContact CD1-CG 4.17Å; L15-L699 HydrophobicContact CD2-CD2 4.19Å; L15-A702 HydrophobicContact CD2-CB 4.38Å
16Y78.6Confident77.7Confident86 Ų8643.6 Ų43.634%0.33724%0.239SC..Hα-helixtrans-68.5-45175.5-170.3-99.6000111.2Q12 A18 G19 F85 P120 I122Q12-Y16 WeakPolarHBondContact O-CB 3.44Å; Q12-Y16 PolarHBondContact O-N 2.94Å; Y16-A18 PolarHBondContact O-N 2.67Å; Y16-G19 PolarHBondContact O-N 3.29Å; Y16-F85 HydrophobicContact CD1-CD1 4.04Å; Y16-F85 AromaticContact CD1-CE1 3.57Å; Y16-F85 HydrophobicContact CD1-CE1 3.57Å; Y16-F85 HydrophobicContact CD1-CE2 4.24Å; Y16-F85 AromaticContact CD1-CZ 3.69Å; Y16-F85 HydrophobicContact CD1-CZ 3.69Å; Y16-F85 AromaticContact CE1-CD1 3.79Å; Y16-F85 HydrophobicContact CE1-CD1 3.79Å; Y16-F85 AromaticContact CE1-CE1 3.57Å; Y16-F85 HydrophobicContact CE1-CE1 3.57Å; Y16-F85 HydrophobicContact CE1-CZ 4.19Å; Y16-P120 HydrophobicContact CE2-CG 4.34Å; Y16-I122 HydrophobicContact CD1-CD1 4.03Å; Y16-I122 HydrophobicContact CD2-CD1 3.91Å; Y16-I122 HydrophobicContact CE1-CD1 4.11Å; Y16-I122 HydrophobicContact CE2-CD1 3.98Å; Y16-I122 HydrophobicContact CG-CD1 3.93Å
17A72.3Confident78.1Confident73 Ų7340.6 Ų40.660%0.60323%0.226SC*.Hα-helixtrans-61.6-25.9173.300000113.4D13D13-A17 VanDerWaalsContact O-CB 3.25Å; D13-A17 WeakPolarHBondContact O-CB 3.36Å; D13-A17 PolarHBondContact O-N 2.69Å
18A70Confident78.7Confident16 Ų1640.4 Ų40.413%0.13222%0.224CC..THydrogen-bonded Turntrans-81.4-10.7174.200000114.6V14 L15 Y16 C20 S698V14-A18 WeakPolarHBondContact O-CB 3.36Å; V14-A18 PolarHBondContact O-N 3.5Å; V14-A18 VanDerWaalsContact O-N 3.1Å; L15-A18 PolarHBondContact O-N 3.11Å; Y16-A18 PolarHBondContact O-N 2.67Å; A18-C20 HydrophobicContact CB-CB 4.15Å; A18-C20 VanDerWaalsContact CB-SG 3.51Å; A18-C20 PolarHBondContact O-N 3.17Å; A18-S698 VanDerWaalsContact CB-CB 3.48Å
19G68.8Low79.3Confident53 Ų5340.2 Ų40.255%0.54622%0.223SC..THydrogen-bonded Turntrans68.516.2-167.500000114L15 Y16 N21L15-G19 PolarHBondContact O-N 3.24Å; Y16-G19 PolarHBondContact O-N 3.29Å; G19-N21 PolarHBondContact O-N 3.38Å
20C66.6Low79.9Confident16 Ų1639.9 Ų39.911%0.10822%0.222CC..  trans-78.546.3-173.8-72.30000113.7L15 A18 Q22 I23L15-C20 HydrophobicContact CB-CB 4.32Å; L15-C20 HydrophobicContact CD2-CB 3.83Å; L15-C20 PolarHBondContact O-N 3.48Å; A18-C20 HydrophobicContact CB-CB 4.15Å; A18-C20 VanDerWaalsContact CB-SG 3.51Å; A18-C20 PolarHBondContact O-N 3.17Å; C20-Q22 PolarHBondContact O-N 2.96Å; C20-I23 PolarHBondContact O-N 3.1Å
21N64.3Low80.4Confident124 Ų12435.7 Ų35.766%0.66320%0.203SC*.THydrogen-bonded Turntrans-59.8-9-178.2-61-5.4000114.3G19G19-N21 PolarHBondContact O-N 3.38Å
22Q66.3Low80.8Confident144 Ų14435.6 Ų35.667%0.67320%0.203SC*.THydrogen-bonded Turntrans-71.6-26.9171.3-64.7-177.5-4.800113.2C20 Q24 K302C20-Q22 PolarHBondContact O-N 2.96Å; Q22-Q24 PolarHBondContact O-N 3.16Å; Q22-K302 VanDerWaalsContact OE1-NZ 3.14Å
23I73.9Confident81.2Confident14 Ų1436.1 Ų36.17%0.07221%0.21CC..SBendtrans-92.898.2-175.4-59.7-179.9000108.3L15 C20 L295 I299 K302 L699L15-I23 HydrophobicContact CD1-CB 4.12Å; L15-I23 HydrophobicContact CD1-CG2 3.71Å; L15-I23 HydrophobicContact CD2-CB 4.32Å; L15-I23 HydrophobicContact CD2-CD1 3.94Å; L15-I23 HydrophobicContact CD2-CG2 4.43Å; C20-I23 PolarHBondContact O-N 3.1Å; I23-L295 HydrophobicContact CG2-CD1 3.46Å; I23-L295 VanDerWaalsContact CG2-CD1 3.46Å; I23-I299 HydrophobicContact CD1-CG1 3.9Å; I23-I299 HydrophobicContact CG2-CG1 4.38Å; I23-K302 HydrophobicContact CD1-CG 4.33Å; I23-L699 HydrophobicContact CD1-CD2 3.7Å
24Q77.8Confident81.5Confident84 Ų8437.5 Ų37.539%0.39322%0.215SC..PPolyproline II helixtrans-80.5130.3-177.4-64.6174-32.800110.3Q22 S167Q22-Q24 PolarHBondContact O-N 3.16Å; Q24-S167 WeakPolarHBondContact CB-OG 3.43Å; Q24-S167 VanDerWaalsContact CD-OG 3.29Å; Q24-S167 PolarHBondContact OE1-OG 3.31Å
25L84.8Confident81.5Confident15 Ų1540.6 Ų40.68%0.07924%0.239CC..PPolyproline II helixtrans-97.2151-178.4-69.7175.2000111.9V8 L11 Q12 L15 Q27 L295V8-L25 HydrophobicContact CG1-CB 4.31Å; V8-L25 HydrophobicContact CG1-CD1 4.44Å; L11-L25 HydrophobicContact CB-CD1 4.23Å; L11-L25 HydrophobicContact CB-CD2 4.14Å; Q12-L25 VanDerWaalsContact CA-CD1 3.42Å; Q12-L25 HydrophobicContact CB-CD1 3.56Å; Q12-L25 HydrophobicContact CG-CD1 4.12Å; L15-L25 HydrophobicContact CD1-CD1 4.23Å; L15-L25 HydrophobicContact CD1-CD2 3.94Å; L15-L25 HydrophobicContact CD1-CG 4.17Å; L25-Q27 PolarHBondContact O-N 2.89Å; L25-L295 HydrophobicContact CD2-CD1 4.04Å; L25-L295 HydrophobicContact CD2-CD2 3.64Å; L25-L295 HydrophobicContact CD2-CG 4.5Å
26P87.3Confident81.8Confident3 Ų340.4 Ų40.42%0.01924%0.238CC..PPolyproline II helixtrans-60.3116.2173.4-23.334.6000112.4S169 I288 N291P26-S169 VanDerWaalsContact CA-O 3.29Å; P26-S169 WeakPolarHBondContact CA-O 3.42Å; P26-I288 HydrophobicContact CB-CG1 3.73Å; P26-I288 HydrophobicContact CG-CG1 4.34Å; P26-N291 HydrophobicContact CG-CB 3.97Å
27Q89.9Confident82.2Confident23 Ų2337 Ų3711%0.10723%0.229CC..EExtended strand (participates in β ladder)trans-149.5160.2-176.363.6-172.8-11.300112L25 V29 V136 S169 I171L25-Q27 PolarHBondContact O-N 2.89Å; Q27-V29 HydrophobicContact CG-CG2 4.11Å; Q27-V136 HydrophobicContact CG-CG2 4.37Å; Q27-S169 PolarHBondContact N-O 3.31Å; Q27-I171 PolarHBondContact O-N 3.32Å
28I94.6Very high83Confident1 Ų134.1 Ų34.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-99.8131.3172.2-67.6154.4000109.5L133 T134 L135 V136 I171 L173 L280 L284I28-L133 HydrophobicContact CD1-CD1 3.78Å; I28-T134 PolarHBondContact N-O 2.9Å; I28-L135 HydrophobicContact CB-CD2 3.88Å; I28-L135 HydrophobicContact CD1-CD2 4.21Å; I28-L135 HydrophobicContact CG2-CD2 3.68Å; I28-L135 CarbonylContact O-C 3.56Å; I28-V136 PolarHBondContact O-N 3.16Å; I28-I171 WeakPolarHBondContact CA-O 3.37Å; I28-I171 HydrophobicContact CG1-CB 3.9Å; I28-I171 HydrophobicContact CG1-CD1 3.96Å; I28-I171 HydrophobicContact CG1-CG1 4.47Å; I28-I171 HydrophobicContact CG1-CG2 4.17Å; I28-L173 HydrophobicContact CG2-CB 3.85Å; I28-L173 HydrophobicContact CG2-CD2 4.11Å; I28-L280 HydrophobicContact CD1-CB 3.98Å; I28-L280 HydrophobicContact CD1-CD2 4.02Å; I28-L280 HydrophobicContact CG2-CD2 4.28Å; I28-L284 HydrophobicContact CD1-CB 3.86Å; I28-L284 HydrophobicContact CD1-CD2 4.38Å; I28-L284 HydrophobicContact CD1-CG 4.48Å; I28-L284 HydrophobicContact CG1-CD1 4.47Å
29V95Very high83.9Confident0 Ų034.9 Ų34.90%021%0.207CC..EExtended strand (participates in β ladder)trans-118.5117.1-174.6-176.50000110.6Q27 V31 V136 L138 I165 I171 L173Q27-V29 HydrophobicContact CG-CG2 4.11Å; V29-V31 HydrophobicContact CG1-CG2 4.14Å; V29-V31 PolarHBondContact O-N 3Å; V29-V136 HydrophobicContact CG2-CB 4.42Å; V29-V136 HydrophobicContact CG2-CG2 4.38Å; V29-L138 HydrophobicContact CG1-CD1 3.37Å; V29-L138 HydrophobicContact CG1-CG 3.87Å; V29-I165 HydrophobicContact CB-CG2 4.32Å; V29-I165 HydrophobicContact CG1-CG2 3.91Å; V29-I171 PolarHBondContact N-O 3.26Å; V29-L173 WeakPolarHBondContact O-CB 3.43Å; V29-L173 PolarHBondContact O-N 3.33Å
30A94.6Very high85Confident3 Ų333.7 Ų33.73%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-83.8107.2-177.800000111.9K38 I42 V136 L173 I175A30-K38 HydrophobicContact CB-CD 4.31Å; A30-K38 VanDerWaalsContact O-CE 3.3Å; A30-K38 WeakPolarHBondContact O-CE 3.3Å; A30-I42 HydrophobicContact CB-CD1 4.3Å; A30-V136 WeakPolarHBondContact CB-O 3.2Å; A30-V136 PolarHBondContact N-O 2.92Å; A30-L173 HydrophobicContact CB-CD2 4.48Å; A30-I175 HydrophobicContact CB-CD1 3.9Å
31V94Very high86.2Confident1 Ų133 Ų331%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-112.8136.5-179.1-174.60000110.1V29 L138 I141 I161 I165 I172 L173 I175 S187 M190V29-V31 HydrophobicContact CG1-CG2 4.14Å; V29-V31 PolarHBondContact O-N 3Å; V31-L138 HydrophobicContact CG2-CD1 4.4Å; V31-I141 HydrophobicContact CG1-CD1 4.02Å; V31-I161 HydrophobicContact CG1-CG2 4.01Å; V31-I161 HydrophobicContact CG2-CG2 4.06Å; V31-I165 HydrophobicContact CG2-CG2 3.7Å; V31-I172 HydrophobicContact CG2-CG2 4.25Å; V31-L173 PolarHBondContact N-O 2.99Å; V31-I175 PolarHBondContact O-N 3.44Å; V31-S187 WeakPolarHBondContact O-CB 3.5Å; V31-M190 HydrophobicContact CG1-SD 4.38Å
32G92.2Very high87.5Confident0 Ų027.3 Ų27.30%016%0.155CC..  trans171.9148.9-172.100000112.5K38 I141 I175G32-K38 PolarHBondContact O-NZ 2.91Å; G32-I141 PolarHBondContact O-N 2.94Å; G32-I175 WeakPolarHBondContact CA-O 3.45Å
33A90.7Very high88.7Confident28 Ų2820.4 Ų20.423%0.23112%0.123CC..BIsolated β-bridgetrans-57157.7176.900000112.6S35 S36A33-S35 PolarHBondContact O-N 3.46Å; A33-S36 WeakPolarHBondContact O-CB 3.15Å; A33-S36 PolarHBondContact O-N 3.09Å; A33-S36 VanDerWaalsContact O-N 3.15Å; A33-S36 PolarHBondContact O-OG 3.23Å; A33-S36 VanDerWaalsContact O-OG 3.08Å
34Q86.5Confident89.5Confident68 Ų6820.2 Ų20.232%0.31812%0.123SC..THydrogen-bonded Turntrans-51.6137.7167.5-168.2-165.14.500110.3S36 G56 I141 T142Q34-S36 PolarHBondContact O-N 3.43Å; Q34-S36 VanDerWaalsContact O-N 3.13Å; Q34-G56 VanDerWaalsContact NE2-CA 3.32Å; Q34-G56 PolarHBondContact NE2-O 3.46Å; Q34-I141 PolarHBondContact N-O 2.95Å; Q34-T142 HydrophobicContact CB-CG2 3.7Å; Q34-T142 HydrophobicContact CG-CG2 4.18Å
35S83.8Confident90.1Very high94 Ų9416.8 Ų16.866%0.65711%0.107SC*.THydrogen-bonded Turntrans60.317.2-179.4-53.10000115.7A33 G37 K207A33-S35 PolarHBondContact O-N 3.46Å; S35-G37 PolarHBondContact O-N 2.98Å; S35-K207 WeakPolarHBondContact O-CE 3.41Å; S35-K207 PolarHBondContact O-NZ 3.12Å
36S85.4Confident90.4Very high3 Ų316.5 Ų16.52%0.02111%0.106CC..SBendtrans-71.4-10.1169.373.90000113.7A33 Q34 K38 T206A33-S36 WeakPolarHBondContact O-CB 3.15Å; A33-S36 PolarHBondContact O-N 3.09Å; A33-S36 VanDerWaalsContact O-N 3.15Å; A33-S36 PolarHBondContact O-OG 3.23Å; A33-S36 VanDerWaalsContact O-OG 3.08Å; Q34-S36 PolarHBondContact O-N 3.43Å; Q34-S36 VanDerWaalsContact O-N 3.13Å; S36-K38 WeakPolarHBondContact OG-CG 3.45Å; S36-T206 WeakPolarHBondContact O-CG2 3.16Å; S36-T206 PolarHBondContact O-OG1 2.87Å
37G87.3Confident90.4Very high15 Ų1518 Ų1816%0.15512%0.122CC..SBendtrans97.212.5179.400000115.2S35 S39 S40 I41S35-G37 PolarHBondContact O-N 2.98Å; G37-S39 PolarHBondContact O-N 2.99Å; G37-S40 WeakPolarHBondContact O-CA 3.42Å; G37-S40 VanDerWaalsContact O-CB 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.38Å; G37-S40 PolarHBondContact O-N 3.46Å; G37-S40 VanDerWaalsContact O-N 3.1Å; G37-I41 WeakPolarHBondContact O-CG1 3.37Å; G37-I41 PolarHBondContact O-N 3.48Å
38K90.1Very high90.2Very high12 Ų1220 Ų205%0.05213%0.13CC..Hα-helixtrans-48.2-59.6-178.4-56-147.9-53.7-76.20113.6A30 G32 S36 S40 I41 I42 D137 L138 P139 I175A30-K38 HydrophobicContact CB-CD 4.31Å; A30-K38 VanDerWaalsContact O-CE 3.3Å; A30-K38 WeakPolarHBondContact O-CE 3.3Å; G32-K38 PolarHBondContact O-NZ 2.91Å; S36-K38 WeakPolarHBondContact OG-CG 3.45Å; K38-S40 PolarHBondContact O-N 2.95Å; K38-I41 WeakPolarHBondContact O-CB 3.2Å; K38-I41 PolarHBondContact O-N 3.11Å; K38-I42 WeakPolarHBondContact O-CG1 3.34Å; K38-I42 PolarHBondContact O-N 3.19Å; K38-D137 WeakPolarHBondContact CE-OD1 3.33Å; K38-L138 WeakPolarHBondContact CE-O 3.45Å; K38-L138 PolarHBondContact NZ-O 3.12Å; K38-P139 PolarHBondContact NZ-O 3.06Å; K38-I175 HydrophobicContact CB-CD1 4.1Å; K38-I175 HydrophobicContact CD-CD1 3.94Å; K38-I175 HydrophobicContact CG-CB 4.26Å; K38-I175 HydrophobicContact CG-CD1 3.82Å; K38-I175 HydrophobicContact CG-CG2 4.21Å
39S89Confident89.8Confident31 Ų3122 Ų2222%0.21714%0.141CC..Hα-helixtrans-60.2-36.3-179.1-44.40000111.4G37 I42 E43 D137G37-S39 PolarHBondContact O-N 2.99Å; S39-I42 PolarHBondContact O-N 3.2Å; S39-E43 WeakPolarHBondContact O-CG 3.43Å; S39-E43 PolarHBondContact O-N 3.44Å; S39-D137 PolarHBondContact OG-OD2 3.28Å
40S90.5Very high89.6Confident29 Ų2922 Ų2220%0.20314%0.141CC..Hα-helixtrans-63.1-42.4173.4-47.10000112.9G37 K38 I42 S44 N237G37-S40 WeakPolarHBondContact O-CA 3.42Å; G37-S40 VanDerWaalsContact O-CB 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.38Å; G37-S40 PolarHBondContact O-N 3.46Å; G37-S40 VanDerWaalsContact O-N 3.1Å; K38-S40 PolarHBondContact O-N 2.95Å; S40-I42 VanDerWaalsContact C-N 3.34Å; S40-S44 WeakPolarHBondContact O-CB 3.26Å; S40-S44 PolarHBondContact O-N 3.07Å; S40-S44 PolarHBondContact O-OG 2.95Å; S40-N237 PolarHBondContact O-OD1 3.5Å
41I92.1Very high89.3Confident0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-62.2-44.7174.4-63158.9000110G37 K38 S44 I45 I175 V204 T206 V235 N237 L276G37-I41 WeakPolarHBondContact O-CG1 3.37Å; G37-I41 PolarHBondContact O-N 3.48Å; K38-I41 WeakPolarHBondContact O-CB 3.2Å; K38-I41 PolarHBondContact O-N 3.11Å; I41-S44 CarbonylContact O-C 3.58Å; I41-S44 PolarHBondContact O-N 3.45Å; I41-S44 VanDerWaalsContact O-N 3.15Å; I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.24Å; I41-I45 VanDerWaalsContact O-CG1 3.31Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.85Å; I41-I175 HydrophobicContact CD1-CB 4.35Å; I41-I175 HydrophobicContact CD1-CD1 3.82Å; I41-I175 HydrophobicContact CD1-CG1 3.8Å; I41-I175 HydrophobicContact CD1-CG2 3.56Å; I41-V204 HydrophobicContact CD1-CG1 3.81Å; I41-T206 HydrophobicContact CD1-CG2 3.55Å; I41-T206 HydrophobicContact CG1-CG2 4Å; I41-V235 HydrophobicContact CG1-CG2 4.25Å; I41-N237 PolarHBondContact N-OD1 2.85Å; I41-L276 HydrophobicContact CG2-CD2 3.86Å
42I91.9Very high88.9Confident5 Ų522.7 Ų22.73%0.02615%0.145CC..Hα-helixtrans-65.1-43.2-177.3-66173.5000110.6A30 K38 S39 S40 I45 V46 F50 L51 L65 D137A30-I42 HydrophobicContact CB-CD1 4.3Å; K38-I42 WeakPolarHBondContact O-CG1 3.34Å; K38-I42 PolarHBondContact O-N 3.19Å; S39-I42 PolarHBondContact O-N 3.2Å; S40-I42 VanDerWaalsContact C-N 3.34Å; I42-I45 PolarHBondContact O-N 3.47Å; I42-V46 WeakPolarHBondContact O-CB 3.42Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.44Å; I42-F50 HydrophobicContact CG2-CZ 4.12Å; I42-L51 HydrophobicContact CB-CD1 4.25Å; I42-L51 HydrophobicContact CG2-CD1 4.18Å; I42-L65 HydrophobicContact CG2-CD2 3.62Å; I42-D137 HydrophobicContact CD1-CB 3.52Å
43E91.2Very high88.3Confident0 Ų027 Ų270%016%0.161CC..Hα-helixtrans-62.2-39.9170.8-72-178.9134.300112.2S39 I45 V46 G47 K48 D49 F50 L51 R53 I249S39-E43 WeakPolarHBondContact O-CG 3.43Å; S39-E43 PolarHBondContact O-N 3.44Å; E43-I45 PolarHBondContact O-N 2.85Å; E43-V46 PolarHBondContact O-N 3.08Å; E43-G47 PolarHBondContact O-N 3.26Å; E43-K48 WeakPolarHBondContact CB-O 3.45Å; E43-K48 WeakPolarHBondContact CG-O 3.41Å; E43-K48 PolarHBondContact O-N 2.84Å; E43-D49 WeakPolarHBondContact OE1-CA 3.33Å; E43-F50 HydrophobicContact CG-CD1 3.97Å; E43-F50 HydrophobicContact CG-CE1 3.91Å; E43-F50 PolarHBondContact OE1-N 3.14Å; E43-L51 HydrophobicContact CG-CB 4.26Å; E43-L51 HydrophobicContact CG-CD1 4.08Å; E43-L51 HydrophobicContact CG-CG 4.08Å; E43-L51 PolarHBondContact OE1-N 2.87Å; E43-R53 IonicContact OE2-CZ 3.53Å; E43-R53 IonicContact OE2-NE 3.75Å; E43-R53 PolarHBondContact OE2-NE 3.06Å; E43-R53 VanDerWaalsContact OE2-NE 3.1Å; E43-R53 IonicContact OE2-NH2 2.73Å; E43-R53 PolarHBondContact OE2-NH2 3.43Å; E43-I249 HydrophobicContact CB-CD1 4.49Å; E43-I249 WeakPolarHBondContact O-CD1 3.13Å
44S90Very high87.6Confident9 Ų927.9 Ų27.96%0.06317%0.173CC..Hα-helixtrans-66.2-32.5175.6-61.40000113.3S40 I41 N237S40-S44 WeakPolarHBondContact O-CB 3.26Å; S40-S44 PolarHBondContact O-N 3.07Å; S40-S44 PolarHBondContact O-OG 2.95Å; I41-S44 CarbonylContact O-C 3.58Å; I41-S44 PolarHBondContact O-N 3.45Å; I41-S44 VanDerWaalsContact O-N 3.15Å; S44-N237 PolarHBondContact OG-OD1 3.14Å
45I91.4Very high86.9Confident13 Ų1330.7 Ų30.77%0.06720%0.197CC..Hα-helixtrans-71.3-37.6172.7-69.5168.6000111.1I41 I42 E43 L67 L133 L135 T273 L276 T277 L280I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.24Å; I41-I45 VanDerWaalsContact O-CG1 3.31Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.85Å; I42-I45 PolarHBondContact O-N 3.47Å; E43-I45 PolarHBondContact O-N 2.85Å; I45-L67 HydrophobicContact CG2-CD1 4.17Å; I45-L133 HydrophobicContact CG2-CD2 4.16Å; I45-L135 HydrophobicContact CD1-CD1 4.14Å; I45-L135 HydrophobicContact CG2-CD1 4.28Å; I45-T273 HydrophobicContact CG1-CG2 4.13Å; I45-L276 HydrophobicContact CD1-CD2 4.38Å; I45-T277 HydrophobicContact CG2-CG2 4.2Å; I45-L280 HydrophobicContact CD1-CD1 3.85Å
46V90.1Very high86.4Confident9 Ų927.1 Ų27.16%0.05518%0.176CC..Hα-helixtrans-76.8-30.6178.5168.40000112.7I42 E43 K48 F50 L65 L67 L125I42-V46 WeakPolarHBondContact O-CB 3.42Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.44Å; E43-V46 PolarHBondContact O-N 3.08Å; V46-K48 HydrophobicContact CG1-CB 4.02Å; V46-K48 HydrophobicContact CG1-CG 4.41Å; V46-F50 HydrophobicContact CB-CE1 3.95Å; V46-F50 HydrophobicContact CG1-CD1 4.19Å; V46-F50 HydrophobicContact CG1-CE1 3.91Å; V46-F50 HydrophobicContact CG2-CE1 3.85Å; V46-F50 HydrophobicContact CG2-CZ 4.25Å; V46-L65 HydrophobicContact CG2-CD2 3.77Å; V46-L67 HydrophobicContact CG2-CD1 4.15Å; V46-L67 HydrophobicContact CG2-CD2 3.95Å; V46-L125 HydrophobicContact CG1-CD2 3.51Å; V46-L125 HydrophobicContact CG2-CD2 4.49Å
47G87.5Confident85.9Confident35 Ų3527.6 Ų27.636%0.36118%0.178SC..THydrogen-bonded Turntrans81.39.4-174.500000114.9E43E43-G47 PolarHBondContact O-N 3.26Å
48K86.5Confident85.7Confident64 Ų6429.1 Ų29.128%0.27818%0.184SC..SBendtrans-138.5157.5-176.9-60.3-66.1-175.6100.40112.7E43 V46 D80 F95 I249E43-K48 WeakPolarHBondContact CB-O 3.45Å; E43-K48 WeakPolarHBondContact CG-O 3.41Å; E43-K48 PolarHBondContact O-N 2.84Å; V46-K48 HydrophobicContact CG1-CB 4.02Å; V46-K48 HydrophobicContact CG1-CG 4.41Å; K48-D80 VanDerWaalsContact CE-OD2 3.29Å; K48-D80 WeakPolarHBondContact CE-OD2 3.45Å; K48-D80 IonicContact NZ-OD2 2.72Å; K48-D80 PolarHBondContact NZ-OD2 3.49Å; K48-F95 HydrophobicContact CB-CD1 3.68Å; K48-F95 HydrophobicContact CB-CD2 4.34Å; K48-F95 HydrophobicContact CB-CE1 3.79Å; K48-F95 HydrophobicContact CB-CE2 4.47Å; K48-F95 HydrophobicContact CB-CG 3.96Å; K48-F95 HydrophobicContact CB-CZ 4.2Å; K48-F95 HydrophobicContact CD-CD2 4.25Å; K48-F95 HydrophobicContact CD-CE2 4.16Å; K48-F95 HydrophobicContact CD-CZ 4.46Å; K48-F95 HydrophobicContact CG-CD1 4.12Å; K48-F95 HydrophobicContact CG-CD2 4.16Å; K48-F95 HydrophobicContact CG-CE1 3.83Å; K48-F95 HydrophobicContact CG-CE2 3.9Å; K48-F95 HydrophobicContact CG-CG 4.27Å; K48-F95 HydrophobicContact CG-CZ 3.72Å; K48-I249 VanDerWaalsContact N-CD1 3.31Å
49D86.4Confident85.5Confident43 Ų4329.6 Ų29.623%0.2319%0.188CC..  trans-100.4103.7-179.4-70.712.8000109.8E43 R99 R238 I249E43-D49 WeakPolarHBondContact OE1-CA 3.33Å; D49-R99 PolarHBondContact O-NH2 2.97Å; D49-R238 VanDerWaalsContact CG-NH1 3.33Å; D49-R238 IonicContact OD1-CZ 3.09Å; D49-R238 VanDerWaalsContact OD1-CZ 3.24Å; D49-R238 IonicContact OD1-NH1 2.66Å; D49-R238 PolarHBondContact OD1-NH1 3.26Å; D49-R238 IonicContact OD1-NH2 2.78Å; D49-R238 PolarHBondContact OD1-NH2 3.03Å; D49-R238 IonicContact OD2-CZ 2.69Å; D49-R238 IonicContact OD2-NH1 2.74Å; D49-R238 PolarHBondContact OD2-NH1 3.17Å; D49-R238 IonicContact OD2-NH2 3.22Å; D49-R238 PolarHBondContact OD2-NH2 3.36Å; D49-I249 VanDerWaalsContact OD1-CD1 3.25Å; D49-I249 WeakPolarHBondContact OD1-CD1 3.46Å
50F89.7Confident85.4Confident1 Ų129.7 Ų29.70%0.00418%0.184CC..  trans-141.5-15-170.874.8-84.8000113.9I42 E43 V46 L63 L65 F95 V98 R99 I102 M123I42-F50 HydrophobicContact CG2-CZ 4.12Å; E43-F50 HydrophobicContact CG-CD1 3.97Å; E43-F50 HydrophobicContact CG-CE1 3.91Å; E43-F50 PolarHBondContact OE1-N 3.14Å; V46-F50 HydrophobicContact CB-CE1 3.95Å; V46-F50 HydrophobicContact CG1-CD1 4.19Å; V46-F50 HydrophobicContact CG1-CE1 3.91Å; V46-F50 HydrophobicContact CG2-CE1 3.85Å; V46-F50 HydrophobicContact CG2-CZ 4.25Å; F50-L63 HydrophobicContact CE2-CD2 4.23Å; F50-L65 HydrophobicContact CZ-CD1 4.34Å; F50-L65 HydrophobicContact CZ-CD2 4.34Å; F50-F95 HydrophobicContact CB-CB 4.23Å; F50-F95 HydrophobicContact CB-CD1 3.9Å; F50-V98 HydrophobicContact CB-CG1 4.11Å; F50-V98 HydrophobicContact CD2-CG1 4.25Å; F50-R99 WeakPolarHBondContact O-CA 3.33Å; F50-R99 WeakPolarHBondContact O-CB 3.3Å; F50-R99 WeakPolarHBondContact O-CG 3.49Å; F50-I102 HydrophobicContact CD2-CD1 4.01Å; F50-I102 HydrophobicContact CE2-CD1 4.48Å; F50-M123 HydrophobicContact CD2-CE 3.83Å; F50-M123 HydrophobicContact CE2-CE 3.5Å; F50-M123 VanDerWaalsContact CE2-CE 3.5Å; F50-M123 HydrophobicContact CZ-CE 4.23Å
51L88.9Confident85.4Confident3 Ų328.9 Ų28.92%0.01618%0.176CC..SBendtrans-82.5141.4177.7-66177.8000109.6I42 E43 L63 R99 I102I42-L51 HydrophobicContact CB-CD1 4.25Å; I42-L51 HydrophobicContact CG2-CD1 4.18Å; E43-L51 HydrophobicContact CG-CB 4.26Å; E43-L51 HydrophobicContact CG-CD1 4.08Å; E43-L51 HydrophobicContact CG-CG 4.08Å; E43-L51 PolarHBondContact OE1-N 2.87Å; L51-L63 HydrophobicContact CD2-CD2 3.46Å; L51-L63 VanDerWaalsContact CD2-CD2 3.46Å; L51-R99 PolarHBondContact O-NE 3.26Å; L51-I102 HydrophobicContact CD2-CD1 4.49Å
52P85.1Confident85.5Confident14 Ų1428.9 Ų28.99%0.09118%0.176CC..  trans-64.314617527.7-35.6000111.2V58 R99 I102 E103P52-V58 HydrophobicContact CB-CG1 3.67Å; P52-V58 HydrophobicContact CG-CG1 3.83Å; P52-V58 WeakPolarHBondContact O-CG1 3.45Å; P52-R99 HydrophobicContact CB-CG 4.21Å; P52-I102 HydrophobicContact CG-CG2 4.12Å; P52-E103 HydrophobicContact CB-CG 3.6Å; P52-E103 WeakPolarHBondContact CB-OE1 3.47Å; P52-E103 HydrophobicContact CG-CG 4.21Å
53R80.1Confident85.5Confident90 Ų9029 Ų2934%0.3418%0.177SC..  trans-136.3126.2-174.7-66.3-175.6177-149.729111.3E43 R238 T243E43-R53 IonicContact OE2-CZ 3.53Å; E43-R53 IonicContact OE2-NE 3.75Å; E43-R53 PolarHBondContact OE2-NE 3.06Å; E43-R53 VanDerWaalsContact OE2-NE 3.1Å; E43-R53 IonicContact OE2-NH2 2.73Å; E43-R53 PolarHBondContact OE2-NH2 3.43Å; R53-R238 VanDerWaalsContact NH2-NH2 3.13Å; R53-T243 PolarHBondContact NH1-OG1 2.98Å
54G76Confident85.6Confident47 Ų4729.5 Ų29.549%0.48518%0.18SC..  trans-176.3178.6-179.100000113V58G54-V58 VanDerWaalsContact O-CG2 3.29Å; G54-V58 WeakPolarHBondContact O-CG2 3.27Å
55P71.7Confident85.7Confident127 Ų12729.2 Ų29.283%0.82518%0.177SC*.SBendtrans-79129.8178.631.2-33.6000112.3
56G74.1Confident85.7Confident20 Ų2028.7 Ų28.721%0.20617%0.174CC..SBendtrans111.5-160.1-178.600000112.6Q34Q34-G56 VanDerWaalsContact NE2-CA 3.32Å; Q34-G56 PolarHBondContact NE2-O 3.46Å
57I75.3Confident85.7Confident13 Ų1328.3 Ų28.37%0.06717%0.172CC..  trans-82.2114.9167.9-62-179.6000107.5T59 I116 P139 T142 Q149 I153 L157I57-T59 VanDerWaalsContact CG2-O 3.23Å; I57-T59 WeakPolarHBondContact CG2-O 3.5Å; I57-I116 HydrophobicContact CD1-CD1 3.88Å; I57-I116 HydrophobicContact CG2-CD1 4.26Å; I57-P139 HydrophobicContact CG2-CB 4.49Å; I57-T142 HydrophobicContact CD1-CG2 3.75Å; I57-T142 HydrophobicContact CG1-CG2 3.84Å; I57-Q149 VanDerWaalsContact CD1-NE2 3.32Å; I57-I153 HydrophobicContact CD1-CG1 4.45Å; I57-L157 HydrophobicContact CD1-CD1 4.18Å
58V81.5Confident85.7Confident46 Ų4627.5 Ų27.528%0.27916%0.16SC..  trans-94.1-48.4179.2-1570000110.7P52 G54 R60P52-V58 HydrophobicContact CB-CG1 3.67Å; P52-V58 HydrophobicContact CG-CG1 3.83Å; P52-V58 WeakPolarHBondContact O-CG1 3.45Å; G54-V58 VanDerWaalsContact O-CG2 3.29Å; G54-V58 WeakPolarHBondContact O-CG2 3.27Å; V58-R60 VanDerWaalsContact C-N 3.34Å; V58-R60 PolarHBondContact O-N 3.09Å
59T87.1Confident85.7Confident23 Ų2327 Ų2714%0.14116%0.16CC..  trans-65.587.3166.8-48.90000109.9I57 R61 D137 P139I57-T59 VanDerWaalsContact CG2-O 3.23Å; I57-T59 WeakPolarHBondContact CG2-O 3.5Å; T59-R61 VanDerWaalsContact CG2-O 3.26Å; T59-R61 WeakPolarHBondContact CG2-O 3.25Å; T59-D137 WeakPolarHBondContact CG2-OD2 3.31Å; T59-D137 PolarHBondContact OG1-OD2 2.89Å; T59-P139 WeakPolarHBondContact O-CA 3.34Å; T59-P139 VanDerWaalsContact O-CB 3.27Å; T59-P139 WeakPolarHBondContact O-CB 3.17Å; T59-P139 WeakPolarHBondContact O-CG 3.31Å
60R87.4Confident85.5Confident32 Ų3226.8 Ų26.812%0.12116%0.161CC..  trans-89.9-5.4178.3-65.3-172-71.8164.4-4.8114.3V58 T106 E107 G111 N113 A115 I116 I117V58-R60 VanDerWaalsContact C-N 3.34Å; V58-R60 PolarHBondContact O-N 3.09Å; R60-T106 HydrophobicContact CB-CG2 3.74Å; R60-T106 HydrophobicContact CG-CG2 4.5Å; R60-E107 IonicContact CZ-OE2 3.44Å; R60-E107 IonicContact NH1-OE2 3.22Å; R60-E107 PolarHBondContact NH1-OE2 3.05Å; R60-E107 IonicContact NH2-OE2 2.9Å; R60-E107 PolarHBondContact NH2-OE2 3.31Å; R60-G111 PolarHBondContact NH1-O 3.29Å; R60-N113 PolarHBondContact NH1-O 2.86Å; R60-N113 VanDerWaalsContact NH1-O 3.08Å; R60-A115 WeakPolarHBondContact CD-O 3.3Å; R60-I116 VanDerWaalsContact O-CA 3.3Å; R60-I116 WeakPolarHBondContact O-CA 3.42Å; R60-I116 VanDerWaalsContact O-CG2 3.29Å; R60-I116 WeakPolarHBondContact O-CG2 3.4Å; R60-I117 PolarHBondContact O-N 3.49Å
61R90.1Very high84.7Confident12 Ų1232.1 Ų32.15%0.04518%0.184CC..SBendtrans-136.6151.3175.4-73.417167177.6-6.4109.2T59 L63 E105 I117 A119 P120 I121T59-R61 VanDerWaalsContact CG2-O 3.26Å; T59-R61 WeakPolarHBondContact CG2-O 3.25Å; R61-L63 PolarHBondContact O-N 3.02Å; R61-E105 IonicContact CZ-OE1 3.45Å; R61-E105 VanDerWaalsContact NH1-CD 3.33Å; R61-E105 PolarHBondContact NH1-O 3.18Å; R61-E105 IonicContact NH1-OE1 3.86Å; R61-E105 PolarHBondContact NH1-OE1 2.92Å; R61-E105 IonicContact NH2-OE1 2.61Å; R61-E105 PolarHBondContact NH2-OE1 3.01Å; R61-I117 HydrophobicContact CG-CB 4.03Å; R61-I117 HydrophobicContact CG-CG2 4.23Å; R61-A119 PolarHBondContact NE-O 3.21Å; R61-P120 PolarHBondContact NH2-O 2.93Å; R61-I121 VanDerWaalsContact CZ-CG1 3.5Å
62P93Very high83.4Confident0 Ų038.5 Ų38.50%021%0.212CC..  trans-55.9135.8164.1-24.835.5000110.8I117 P120 I121 V136 D137 L138 I160 Y164P62-I117 WeakPolarHBondContact CD-O 3.36Å; P62-P120 HydrophobicContact CB-CB 4.22Å; P62-P120 CarbonylContact O-C 3.58Å; P62-P120 WeakPolarHBondContact O-CA 3.43Å; P62-I121 PolarHBondContact O-N 2.99Å; P62-V136 HydrophobicContact CB-CG1 4.42Å; P62-D137 WeakPolarHBondContact CA-O 3.29Å; P62-L138 HydrophobicContact CB-CD2 3.75Å; P62-L138 HydrophobicContact CG-CD2 3.96Å; P62-I160 HydrophobicContact CG-CG2 4.02Å; P62-Y164 HydrophobicContact CB-CE2 4.17Å; P62-Y164 WeakPolarHBondContact CB-OH 3.18Å; P62-Y164 HydrophobicContact CG-CE2 3.86Å
63L93.1Very high82Confident9 Ų947.9 Ų47.95%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-116.8111.6174.1175.765.7000109F50 L51 R61 I102 I121 M123 V136 D137F50-L63 HydrophobicContact CE2-CD2 4.23Å; L51-L63 HydrophobicContact CD2-CD2 3.46Å; L51-L63 VanDerWaalsContact CD2-CD2 3.46Å; R61-L63 PolarHBondContact O-N 3.02Å; L63-I102 HydrophobicContact CD2-CD1 4.43Å; L63-I121 HydrophobicContact CD1-CB 3.8Å; L63-I121 HydrophobicContact CD1-CG2 3.73Å; L63-M123 HydrophobicContact CD1-CB 4.19Å; L63-V136 CarbonylContact O-C 3.29Å; L63-V136 WeakPolarHBondContact O-CA 3.24Å; L63-D137 HydrophobicContact CB-CB 4.37Å; L63-D137 PolarHBondContact N-O 2.89Å; L63-D137 PolarHBondContact O-N 2.86Å
64I92.3Very high80.9Confident10 Ų1047.4 Ų47.45%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-91.4108.9174.5-47.5179.2000108.1P120 I121 I122 M123 T134 V136I64-P120 HydrophobicContact CD1-CB 3.92Å; I64-P120 HydrophobicContact CD1-CG 4.16Å; I64-P120 HydrophobicContact CG1-CB 3.99Å; I64-I121 PolarHBondContact N-O 3.21Å; I64-I122 HydrophobicContact CB-CG1 4.48Å; I64-I122 HydrophobicContact CD1-CG1 4.38Å; I64-M123 PolarHBondContact O-N 3.12Å; I64-T134 HydrophobicContact CG2-CG2 4.05Å; I64-V136 HydrophobicContact CG1-CG1 4.24Å; I64-V136 HydrophobicContact CG1-CG2 4.15Å; I64-V136 HydrophobicContact CG2-CG2 4.24Å
65L92.2Very high80Confident3 Ų349.5 Ų49.52%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-99.1111.9-178.6174.770.4000109.3I42 V46 F50 L67 M123 T134 L135I42-L65 HydrophobicContact CG2-CD2 3.62Å; V46-L65 HydrophobicContact CG2-CD2 3.77Å; F50-L65 HydrophobicContact CZ-CD1 4.34Å; F50-L65 HydrophobicContact CZ-CD2 4.34Å; L65-L67 HydrophobicContact CD1-CD2 3.67Å; L65-L67 HydrophobicContact CD2-CD1 4.47Å; L65-L67 HydrophobicContact CD2-CD2 3.95Å; L65-L67 HydrophobicContact CD2-CG 4.28Å; L65-L67 HydrophobicContact CG-CD2 3.65Å; L65-L67 HydrophobicContact CG-CG 4.08Å; L65-M123 HydrophobicContact CD1-CE 3.36Å; L65-T134 WeakPolarHBondContact O-CA 3.43Å; L65-L135 HydrophobicContact CB-CB 4.41Å; L65-L135 HydrophobicContact CD2-CB 4.46Å; L65-L135 HydrophobicContact CD2-CD1 4.33Å; L65-L135 PolarHBondContact N-O 3.04Å; L65-L135 PolarHBondContact O-N 2.96Å
66Q90.9Very high79.3Confident1 Ų149.4 Ų49.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-100.3105.2173.7-69.3-178.3-3.500109.7N9 Q12 M123 K124 L125 T134N9-Q66 VanDerWaalsContact CG-CD 3.45Å; N9-Q66 WeakPolarHBondContact OD1-CG 3.43Å; Q12-Q66 VanDerWaalsContact CD-NE2 3.3Å; Q66-M123 PolarHBondContact N-O 3.06Å; Q66-K124 HydrophobicContact CB-CG 4.07Å; Q66-K124 WeakPolarHBondContact O-CA 3.31Å; Q66-L125 PolarHBondContact O-N 2.89Å; Q66-T134 HydrophobicContact CG-CG2 3.99Å
67L90.7Very high78.9Confident1 Ų154.6 Ų54.61%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-88.6127.8174.9-54.6-172.9000110I45 V46 L65 L125 V130 V131 N132 L133I45-L67 HydrophobicContact CG2-CD1 4.17Å; V46-L67 HydrophobicContact CG2-CD1 4.15Å; V46-L67 HydrophobicContact CG2-CD2 3.95Å; L65-L67 HydrophobicContact CD1-CD2 3.67Å; L65-L67 HydrophobicContact CD2-CD1 4.47Å; L65-L67 HydrophobicContact CD2-CD2 3.95Å; L65-L67 HydrophobicContact CD2-CG 4.28Å; L65-L67 HydrophobicContact CG-CD2 3.65Å; L65-L67 HydrophobicContact CG-CG 4.08Å; L67-L125 HydrophobicContact CD2-CB 3.94Å; L67-L125 HydrophobicContact CD2-CD2 3.91Å; L67-L125 HydrophobicContact CD2-CG 4.29Å; L67-V130 HydrophobicContact CB-CB 4.34Å; L67-V130 HydrophobicContact CB-CG2 4.04Å; L67-V130 HydrophobicContact CD1-CB 4.34Å; L67-V130 HydrophobicContact CD1-CG1 4.49Å; L67-V131 WeakPolarHBondContact CB-O 3.24Å; L67-N132 WeakPolarHBondContact O-CA 3.41Å; L67-L133 HydrophobicContact CB-CB 4.27Å; L67-L133 WeakPolarHBondContact CB-O 3.43Å; L67-L133 HydrophobicContact CD1-CB 4.3Å; L67-L133 PolarHBondContact N-O 3.07Å; L67-L133 PolarHBondContact O-N 3.5Å
68T88.3Confident78.6Confident19 Ų1955.8 Ų55.812%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-130.4125.6177.9-52.20000109.7L125 F126 S127T68-L125 PolarHBondContact N-O 3.19Å; T68-F126 HydrophobicContact CG2-CD1 4.03Å; T68-F126 HydrophobicContact CG2-CE1 4.12Å; T68-F126 WeakPolarHBondContact O-CA 3.45Å; T68-S127 PolarHBondContact O-N 3.23Å; T68-S127 VanDerWaalsContact O-N 3.08Å
69N86.9Confident78.6Confident52 Ų5257.2 Ų57.228%0.27831%0.31SS..EExtended strand (participates in β ladder)trans-81.4126.1178.2-170.2-49.2000110.6K71 S127 V130 N132N69-K71 WeakPolarHBondContact OD1-CB 3.19Å; N69-K71 WeakPolarHBondContact OD1-CG 3.44Å; N69-K71 PolarHBondContact OD1-N 3.2Å; N69-S127 VanDerWaalsContact CA-O 3.31Å; N69-S127 WeakPolarHBondContact CA-O 3.14Å; N69-V130 WeakPolarHBondContact CB-O 3.34Å; N69-V130 PolarHBondContact ND2-O 3.18Å; N69-N132 WeakPolarHBondContact CB-OD1 3.15Å; N69-N132 PolarHBondContact N-OD1 3.41Å
70T81.1Confident78.6Confident39 Ų3956.6 Ų56.624%0.23931%0.305CS..  trans-100.49.6-178.446.50000115.2K72 F126 S127 T128T70-K72 PolarHBondContact O-N 3.24Å; T70-F126 HydrophobicContact CG2-CB 3.72Å; T70-F126 HydrophobicContact CG2-CD1 4.2Å; T70-F126 HydrophobicContact CG2-CG 4.43Å; T70-S127 PolarHBondContact N-O 3.01Å; T70-T128 PolarHBondContact OG1-N 3.34Å
71K71.9Confident78.7Confident113 Ų11358.1 Ų58.149%0.49131%0.314SS..  trans-61.8102.2175.5-77.8-178166.7-770111.1N69 D76 T128N69-K71 WeakPolarHBondContact OD1-CB 3.19Å; N69-K71 WeakPolarHBondContact OD1-CG 3.44Å; N69-K71 PolarHBondContact OD1-N 3.2Å; K71-D76 IonicContact NZ-OD1 2.68Å; K71-D76 PolarHBondContact NZ-OD1 3.22Å; K71-T128 WeakPolarHBondContact CE-O 3.34Å; K71-T128 HydrophobicContact CG-CG2 4.17Å
72K62.3Low78.8Confident138 Ų13857.6 Ų57.660%0.631%0.312SS*.  trans-87.6151159.8-55-175.7-149.2128.20109T70 G74 E75T70-K72 PolarHBondContact O-N 3.24Å; K72-G74 PolarHBondContact O-N 3.39Å; K72-E75 WeakPolarHBondContact CD-OE2 3.35Å; K72-E75 IonicContact NZ-OE2 3.89Å; K72-E75 PolarHBondContact NZ-OE2 3.05Å; K72-E75 PolarHBondContact O-N 3.01Å
73E56.1Low78.7Confident210 Ų21060 Ų6098%0.98132%0.323SS*.THydrogen-bonded Turntrans-66.794.8175.3-62.4-174.9153.700110.3
74G57Low78.6Confident81 Ų8159.6 Ų59.684%0.83532%0.321SS*.THydrogen-bonded Turntrans127.9-8.5177.100000116.5K72K72-G74 PolarHBondContact O-N 3.39Å
75E56.7Low78.2Confident90 Ų9063.2 Ų63.242%0.42134%0.337SS..  trans-119.697.6179.4-66.2179.8149.500110.2K72K72-E75 WeakPolarHBondContact CD-OE2 3.35Å; K72-E75 IonicContact NZ-OE2 3.89Å; K72-E75 PolarHBondContact NZ-OE2 3.05Å; K72-E75 PolarHBondContact O-N 3.01Å
76D56.6Low77.9Confident125 Ų12566.2 Ų66.267%0.66835%0.35SS*.  trans-91.9-18.7-167.4-115.7-27000115.9K71K71-D76 IonicContact NZ-OD1 2.68Å; K71-D76 PolarHBondContact NZ-OD1 3.22Å
77D67Low77.5Confident129 Ų12967.4 Ų67.469%0.6936%0.359SS*.  trans-139.655.8-174.5-156.229.5000113.4R129D77-R129 IonicContact OD1-NH1 2.79Å
78C68.9Low77Confident39 Ų3969.1 Ų69.126%0.26438%0.377SS..PPolyproline II helixtrans-65.5143.9161.8-64.50000110T128C78-T128 HydrophobicContact CB-CG2 4.31Å
79P80.8Confident76.7Confident75 Ų7575.5 Ų75.549%0.48741%0.41SS..PPolyproline II helixtrans-61.1156.717328.9-35.4000110.8Y93P79-Y93 HydrophobicContact CB-CD1 4.18Å; P79-Y93 HydrophobicContact CB-CE1 4.46Å; P79-Y93 HydrophobicContact CG-CD1 4.36Å; P79-Y93 HydrophobicContact CG-CE1 4.15Å
80D87.7Confident76.8Confident10 Ų1078.5 Ų78.55%0.05342%0.418CS..PPolyproline II helixtrans-77128.5170-49-61.2000108.5K48 F95 L125 F126 S127 R129K48-D80 VanDerWaalsContact CE-OD2 3.29Å; K48-D80 WeakPolarHBondContact CE-OD2 3.45Å; K48-D80 IonicContact NZ-OD2 2.72Å; K48-D80 PolarHBondContact NZ-OD2 3.49Å; D80-F95 HydrophobicContact CB-CE2 3.84Å; D80-F95 HydrophobicContact CB-CZ 3.65Å; D80-L125 HydrophobicContact CB-CD1 4.13Å; D80-F126 CarbonylContact C-O 3.55Å; D80-F126 WeakPolarHBondContact CA-O 2.95Å; D80-S127 WeakPolarHBondContact OD1-CB 3.17Å; D80-S127 PolarHBondContact OD1-OG 2.97Å; D80-R129 IonicContact OD1-CZ 2.81Å; D80-R129 IonicContact OD1-NE 2.62Å; D80-R129 PolarHBondContact OD1-NE 3.16Å; D80-R129 IonicContact OD1-NH2 2.72Å; D80-R129 PolarHBondContact OD1-NH2 2.88Å; D80-R129 IonicContact OD2-CZ 3.83Å; D80-R129 IonicContact OD2-NE 2.64Å; D80-R129 IonicContact OD2-NH2 3.46Å; D80-R129 PolarHBondContact OD2-NH2 3.45Å
81E90.1Very high77.2Confident65 Ų6580.2 Ų80.230%0.30443%0.425SS..EExtended strand (participates in β ladder)trans-115.9127.4-177.3-45.4-167128.200110.4I91 Y93 F126E81-I91 HydrophobicContact CB-CG2 3.88Å; E81-Y93 HydrophobicContact CB-CE1 4.48Å; E81-Y93 HydrophobicContact CG-CD1 4.39Å; E81-Y93 HydrophobicContact CG-CE1 3.84Å; E81-Y93 WeakPolarHBondContact OE1-CE1 3.41Å; E81-Y93 PolarHBondContact OE1-OH 3.02Å; E81-F126 HydrophobicContact CB-CB 4.22Å; E81-F126 HydrophobicContact CB-CD2 4.48Å; E81-F126 PolarHBondContact N-O 2.9Å; E81-F126 PolarHBondContact O-N 2.97Å
82V91.7Very high78.1Confident1 Ų175 Ų751%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-112134.1176.2174.50000110.5F84 I91 F92 F95 V98 M123 K124 L125V82-F84 HydrophobicContact CG1-CD2 4.42Å; V82-F84 HydrophobicContact CG1-CE2 4.06Å; V82-F84 HydrophobicContact CG1-CZ 4.43Å; V82-I91 WeakPolarHBondContact O-CA 3.43Å; V82-F92 HydrophobicContact CB-CB 4.23Å; V82-F92 PolarHBondContact N-O 2.92Å; V82-F92 PolarHBondContact O-N 3.43Å; V82-F95 HydrophobicContact CG2-CE1 4.01Å; V82-F95 HydrophobicContact CG2-CZ 4.33Å; V82-V98 HydrophobicContact CB-CG2 3.75Å; V82-V98 HydrophobicContact CG1-CG1 4.13Å; V82-V98 HydrophobicContact CG1-CG2 3.69Å; V82-V98 HydrophobicContact CG2-CG2 4Å; V82-M123 HydrophobicContact CG1-CG 3.58Å; V82-M123 HydrophobicContact CG1-SD 3.62Å; V82-K124 WeakPolarHBondContact CA-O 3.44Å; V82-L125 HydrophobicContact CG2-CB 4.35Å; V82-L125 HydrophobicContact CG2-CD1 3.64Å
83Q90.7Very high79.3Confident49 Ų4974.6 Ų74.623%0.22940%0.398CS..EExtended strand (participates in β ladder)trans-129.3133.6174.2-172.8-172.722.600109.8G88 K124Q83-G88 PolarHBondContact NE2-O 3.22Å; Q83-K124 HydrophobicContact CB-CB 4.48Å; Q83-K124 PolarHBondContact N-O 3.36Å; Q83-K124 PolarHBondContact O-N 3.28Å
84F90.3Very high80.9Confident1 Ų168.7 Ų68.70%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-103.5140.7171.2-65.7-89.1000111.2V82 H86 S87 F92 V98 E101 I102 I121 M123V82-F84 HydrophobicContact CG1-CD2 4.42Å; V82-F84 HydrophobicContact CG1-CE2 4.06Å; V82-F84 HydrophobicContact CG1-CZ 4.43Å; F84-H86 WeakPolarHBondContact CB-CE1 3.39Å; F84-H86 AromaticContact CD1-CE1 3.69Å; F84-H86 AromaticContact CG-CE1 3.61Å; F84-H86 PolarHBondContact O-N 3.38Å; F84-S87 PolarHBondContact O-N 2.95Å; F84-F92 AromaticContact CD2-CD2 3.97Å; F84-F92 HydrophobicContact CD2-CD2 3.97Å; F84-F92 AromaticContact CD2-CE2 3.62Å; F84-F92 HydrophobicContact CD2-CE2 3.62Å; F84-F92 AromaticContact CD2-CZ 3.99Å; F84-F92 HydrophobicContact CD2-CZ 3.99Å; F84-F92 HydrophobicContact CE2-CD2 4.23Å; F84-F92 HydrophobicContact CE2-CE1 4.46Å; F84-F92 HydrophobicContact CE2-CE2 4.12Å; F84-F92 HydrophobicContact CE2-CG 4.5Å; F84-F92 HydrophobicContact CE2-CZ 4.22Å; F84-V98 HydrophobicContact CE2-CG1 4.26Å; F84-V98 HydrophobicContact CE2-CG2 4.47Å; F84-V98 HydrophobicContact CZ-CG1 3.82Å; F84-E101 HydrophobicContact CD2-CG 3.8Å; F84-E101 HydrophobicContact CE2-CB 3.9Å; F84-E101 HydrophobicContact CE2-CG 3.62Å; F84-E101 HydrophobicContact CG-CG 4.42Å; F84-E101 HydrophobicContact CZ-CB 4.2Å; F84-E101 HydrophobicContact CZ-CG 4.11Å; F84-I102 HydrophobicContact CE1-CD1 4.27Å; F84-I102 HydrophobicContact CE1-CG1 3.67Å; F84-I102 HydrophobicContact CZ-CD1 4.2Å; F84-I102 HydrophobicContact CZ-CG1 3.71Å; F84-I121 HydrophobicContact CD1-CG2 3.81Å; F84-I121 HydrophobicContact CE1-CG2 4Å; F84-M123 HydrophobicContact CD1-CB 3.81Å; F84-M123 HydrophobicContact CD1-CG 3.74Å; F84-M123 HydrophobicContact CD1-SD 4.28Å; F84-M123 HydrophobicContact CE1-CB 3.84Å; F84-M123 HydrophobicContact CE1-CG 3.55Å; F84-M123 HydrophobicContact CE1-SD 3.47Å; F84-M123 WeakPolarHBondContact CE1-SD 3.47Å; F84-M123 HydrophobicContact CE2-SD 4.35Å; F84-M123 HydrophobicContact CG-CG 4.33Å; F84-M123 HydrophobicContact CZ-CG 3.99Å; F84-M123 HydrophobicContact CZ-SD 3.52Å; F84-M123 VanDerWaalsContact CZ-SD 3.52Å
85F85.1Confident82.4Confident87 Ų8765.7 Ų65.738%0.38234%0.337SS..G310 helixtrans-60.6-33.1179.2-172.1-84.4000112.8Y16 I122Y16-F85 HydrophobicContact CD1-CD1 4.04Å; Y16-F85 AromaticContact CD1-CE1 3.57Å; Y16-F85 HydrophobicContact CD1-CE1 3.57Å; Y16-F85 HydrophobicContact CD1-CE2 4.24Å; Y16-F85 AromaticContact CD1-CZ 3.69Å; Y16-F85 HydrophobicContact CD1-CZ 3.69Å; Y16-F85 AromaticContact CE1-CD1 3.79Å; Y16-F85 HydrophobicContact CE1-CD1 3.79Å; Y16-F85 AromaticContact CE1-CE1 3.57Å; Y16-F85 HydrophobicContact CE1-CE1 3.57Å; Y16-F85 HydrophobicContact CE1-CZ 4.19Å; F85-I122 HydrophobicContact CB-CB 3.91Å; F85-I122 HydrophobicContact CB-CG2 4.3Å; F85-I122 PolarHBondContact N-O 3.03Å
86H85Confident83.9Confident65 Ų6564 Ų6430%0.30133%0.331SS..G310 helixtrans-79.9-21.518069.1-86.2000113.8F84 G88 E101 E105F84-H86 WeakPolarHBondContact CB-CE1 3.39Å; F84-H86 AromaticContact CD1-CE1 3.69Å; F84-H86 AromaticContact CG-CE1 3.61Å; F84-H86 PolarHBondContact O-N 3.38Å; H86-G88 VanDerWaalsContact C-N 3.35Å; H86-E101 IonicContact CD2-OE1 3.56Å; H86-E101 IonicContact CE1-OE1 2.83Å; H86-E101 IonicContact NE2-OE1 2.9Å; H86-E101 PolarHBondContact NE2-OE1 2.86Å; H86-E105 IonicContact CD2-OE2 3.43Å
87S83.3Confident85.5Confident27 Ų2762.2 Ų62.219%0.18932%0.319CS..G310 helixtrans-88.9-0.1178.5-39.90000113.2F84 D89 R90 E101F84-S87 PolarHBondContact O-N 2.95Å; S87-D89 PolarHBondContact O-N 3.11Å; S87-R90 PolarHBondContact O-N 2.9Å; S87-E101 PolarHBondContact OG-OE1 3.39Å
88G80.3Confident86.7Confident37 Ų3756.1 Ų56.138%0.38129%0.286SS..THydrogen-bonded Turntrans63.7-126.2-179.400000112.2Q83 H86 R90Q83-G88 PolarHBondContact NE2-O 3.22Å; H86-G88 VanDerWaalsContact C-N 3.35Å; G88-R90 VanDerWaalsContact C-N 3.28Å; G88-R90 PolarHBondContact O-N 3.25Å
89D81.2Confident87.8Confident152 Ų15256.7 Ų56.781%0.81328%0.282SS*.THydrogen-bonded Turntrans-85.19.2-177.5-55.3-45.5000113.7S87 I91S87-D89 PolarHBondContact O-N 3.11Å; D89-I91 PolarHBondContact O-N 3.1Å
90R89.5Confident88.2Confident115 Ų11556.3 Ų56.343%0.43428%0.279SS..  trans-71.5115174-176.4-179.9173.1-154.9-5.9110.2S87 G88 F92 E97 E101S87-R90 PolarHBondContact O-N 2.9Å; G88-R90 VanDerWaalsContact C-N 3.28Å; G88-R90 PolarHBondContact O-N 3.25Å; R90-F92 HydrophobicContact CB-CE2 4.17Å; R90-F92 HydrophobicContact CG-CD2 4.22Å; R90-F92 HydrophobicContact CG-CE2 3.7Å; R90-F92 HydrophobicContact CG-CZ 4.03Å; R90-E97 IonicContact NH2-OE2 3.04Å; R90-E97 PolarHBondContact NH2-OE2 3.31Å; R90-E101 IonicContact CZ-OE2 3.36Å; R90-E101 IonicContact NH1-OE2 2.71Å; R90-E101 PolarHBondContact NH1-OE2 3.34Å
91I88.8Confident88.4Confident76 Ų7657 Ų5739%0.3928%0.282SS..EExtended strand (participates in β ladder)trans-92.5138.8171.3-57.5173.9000109.4E81 V82 D89 Y93E81-I91 HydrophobicContact CB-CG2 3.88Å; V82-I91 WeakPolarHBondContact O-CA 3.43Å; D89-I91 PolarHBondContact O-N 3.1Å; I91-Y93 HydrophobicContact CB-CE2 4.36Å; I91-Y93 HydrophobicContact CG2-CD2 4.42Å; I91-Y93 HydrophobicContact CG2-CE1 4.05Å; I91-Y93 HydrophobicContact CG2-CE2 3.85Å
92F90.7Very high88.5Confident2 Ų254.3 Ų54.31%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-115.3135.5177.1-60.2-113.1000109.1V82 F84 R90 E97 V98 E101V82-F92 HydrophobicContact CB-CB 4.23Å; V82-F92 PolarHBondContact N-O 2.92Å; V82-F92 PolarHBondContact O-N 3.43Å; F84-F92 AromaticContact CD2-CD2 3.97Å; F84-F92 HydrophobicContact CD2-CD2 3.97Å; F84-F92 AromaticContact CD2-CE2 3.62Å; F84-F92 HydrophobicContact CD2-CE2 3.62Å; F84-F92 AromaticContact CD2-CZ 3.99Å; F84-F92 HydrophobicContact CD2-CZ 3.99Å; F84-F92 HydrophobicContact CE2-CD2 4.23Å; F84-F92 HydrophobicContact CE2-CE1 4.46Å; F84-F92 HydrophobicContact CE2-CE2 4.12Å; F84-F92 HydrophobicContact CE2-CG 4.5Å; F84-F92 HydrophobicContact CE2-CZ 4.22Å; R90-F92 HydrophobicContact CB-CE2 4.17Å; R90-F92 HydrophobicContact CG-CD2 4.22Å; R90-F92 HydrophobicContact CG-CE2 3.7Å; R90-F92 HydrophobicContact CG-CZ 4.03Å; F92-E97 HydrophobicContact CD1-CB 4.19Å; F92-V98 HydrophobicContact CB-CG2 3.69Å; F92-V98 HydrophobicContact CD1-CG2 4.49Å; F92-V98 HydrophobicContact CG-CG2 4.29Å; F92-E101 HydrophobicContact CE1-CB 3.82Å; F92-E101 HydrophobicContact CE1-CG 3.86Å; F92-E101 WeakPolarHBondContact CE1-OE2 3.36Å; F92-E101 HydrophobicContact CZ-CB 4.14Å; F92-E101 VanDerWaalsContact CZ-CD 3.49Å; F92-E101 HydrophobicContact CZ-CG 3.63Å; F92-E101 VanDerWaalsContact CZ-OE2 3.26Å; F92-E101 WeakPolarHBondContact CZ-OE2 3.23Å
93Y89.1Confident88.4Confident130 Ų13058.6 Ų58.651%0.5129%0.289SS..  trans-114.3-22.3179.5-61.1-83.1000113.1P79 E81 I91P79-Y93 HydrophobicContact CB-CD1 4.18Å; P79-Y93 HydrophobicContact CB-CE1 4.46Å; P79-Y93 HydrophobicContact CG-CD1 4.36Å; P79-Y93 HydrophobicContact CG-CE1 4.15Å; E81-Y93 HydrophobicContact CB-CE1 4.48Å; E81-Y93 HydrophobicContact CG-CD1 4.39Å; E81-Y93 HydrophobicContact CG-CE1 3.84Å; E81-Y93 WeakPolarHBondContact OE1-CE1 3.41Å; E81-Y93 PolarHBondContact OE1-OH 3.02Å; I91-Y93 HydrophobicContact CB-CE2 4.36Å; I91-Y93 HydrophobicContact CG2-CD2 4.42Å; I91-Y93 HydrophobicContact CG2-CE1 4.05Å; I91-Y93 HydrophobicContact CG2-CE2 3.85Å
94D88.6Confident88.4Confident86 Ų8662.6 Ų62.646%0.4631%0.308SS..  trans-94.7130173.9-166.9-11.4000110.7D96 E97 V98D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact OD1-N 3.43Å; D94-E97 HydrophobicContact CB-CB 4.22Å; D94-E97 HydrophobicContact CB-CG 4.25Å; D94-E97 WeakPolarHBondContact O-CB 3.32Å; D94-E97 PolarHBondContact O-N 3.02Å; D94-V98 WeakPolarHBondContact O-CG2 3.4Å; D94-V98 PolarHBondContact O-N 2.91Å
95F88.3Confident88.3Confident18 Ų1863 Ų638%0.07931%0.31CS..Hα-helixtrans-78-19.4178-67.7-95000112.5K48 F50 D80 V82 R99 L125K48-F95 HydrophobicContact CB-CD1 3.68Å; K48-F95 HydrophobicContact CB-CD2 4.34Å; K48-F95 HydrophobicContact CB-CE1 3.79Å; K48-F95 HydrophobicContact CB-CE2 4.47Å; K48-F95 HydrophobicContact CB-CG 3.96Å; K48-F95 HydrophobicContact CB-CZ 4.2Å; K48-F95 HydrophobicContact CD-CD2 4.25Å; K48-F95 HydrophobicContact CD-CE2 4.16Å; K48-F95 HydrophobicContact CD-CZ 4.46Å; K48-F95 HydrophobicContact CG-CD1 4.12Å; K48-F95 HydrophobicContact CG-CD2 4.16Å; K48-F95 HydrophobicContact CG-CE1 3.83Å; K48-F95 HydrophobicContact CG-CE2 3.9Å; K48-F95 HydrophobicContact CG-CG 4.27Å; K48-F95 HydrophobicContact CG-CZ 3.72Å; F50-F95 HydrophobicContact CB-CB 4.23Å; F50-F95 HydrophobicContact CB-CD1 3.9Å; D80-F95 HydrophobicContact CB-CE2 3.84Å; D80-F95 HydrophobicContact CB-CZ 3.65Å; V82-F95 HydrophobicContact CG2-CE1 4.01Å; V82-F95 HydrophobicContact CG2-CZ 4.33Å; F95-R99 PolarHBondContact O-N 2.64Å; F95-R99 VanDerWaalsContact O-N 3.09Å; F95-L125 HydrophobicContact CE1-CD1 4.16Å; F95-L125 HydrophobicContact CE1-CD2 4.37Å; F95-L125 HydrophobicContact CZ-CD1 3.98Å
96D88.9Confident88.5Confident55 Ų5559.3 Ų59.329%0.29430%0.295SS..Hα-helixtrans-70.8-35.7166.6-82.6-8.8000110.3D94 R99 T100 R246D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact OD1-N 3.43Å; D96-R99 PolarHBondContact O-N 3.23Å; D96-R99 IonicContact OD1-CZ 3.29Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.95Å; D96-R99 IonicContact OD1-NH2 2.66Å; D96-R99 PolarHBondContact OD1-NH2 2.84Å; D96-T100 PolarHBondContact O-N 2.83Å; D96-T100 PolarHBondContact O-OG1 2.98Å; D96-R246 IonicContact OD2-CZ 3.58Å; D96-R246 IonicContact OD2-NH1 3.24Å; D96-R246 IonicContact OD2-NH2 3.49Å; D96-R246 PolarHBondContact OD2-NH2 3.27Å
97E90.4Very high88.7Confident88 Ų8859.8 Ų59.841%0.41130%0.297SS..Hα-helixtrans-65.9-44.8170-82-167.9-141.200112.2R90 F92 D94 R99 T100 E101R90-E97 IonicContact NH2-OE2 3.04Å; R90-E97 PolarHBondContact NH2-OE2 3.31Å; F92-E97 HydrophobicContact CD1-CB 4.19Å; D94-E97 HydrophobicContact CB-CB 4.22Å; D94-E97 HydrophobicContact CB-CG 4.25Å; D94-E97 WeakPolarHBondContact O-CB 3.32Å; D94-E97 PolarHBondContact O-N 3.02Å; E97-R99 PolarHBondContact O-N 2.95Å; E97-T100 WeakPolarHBondContact CA-OG1 3.19Å; E97-T100 PolarHBondContact O-N 3.09Å; E97-T100 VanDerWaalsContact O-N 3.09Å; E97-T100 PolarHBondContact O-OG1 3.01Å; E97-E101 PolarHBondContact O-N 3.46Å
98V92Very high88.9Confident1 Ų166.3 Ų66.31%0.00632%0.317CS..Hα-helixtrans-56.9-37.7176.1169.40000111.2F50 V82 F84 F92 D94 I102 M123F50-V98 HydrophobicContact CB-CG1 4.11Å; F50-V98 HydrophobicContact CD2-CG1 4.25Å; V82-V98 HydrophobicContact CB-CG2 3.75Å; V82-V98 HydrophobicContact CG1-CG1 4.13Å; V82-V98 HydrophobicContact CG1-CG2 3.69Å; V82-V98 HydrophobicContact CG2-CG2 4Å; F84-V98 HydrophobicContact CE2-CG1 4.26Å; F84-V98 HydrophobicContact CE2-CG2 4.47Å; F84-V98 HydrophobicContact CZ-CG1 3.82Å; F92-V98 HydrophobicContact CB-CG2 3.69Å; F92-V98 HydrophobicContact CD1-CG2 4.49Å; F92-V98 HydrophobicContact CG-CG2 4.29Å; D94-V98 WeakPolarHBondContact O-CG2 3.4Å; D94-V98 PolarHBondContact O-N 2.91Å; V98-I102 HydrophobicContact CG1-CD1 4.12Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.95Å; V98-I102 VanDerWaalsContact O-N 3.1Å; V98-M123 HydrophobicContact CG1-SD 3.63Å
99R90.9Very high89.2Confident50 Ų5068.1 Ų68.119%0.18932%0.318CS..Hα-helixtrans-64-47.1174.2-167.7-174.4-55.4115.118.3111.7D49 F50 L51 P52 F95 D96 E97 E101 I102 E103D49-R99 PolarHBondContact O-NH2 2.97Å; F50-R99 WeakPolarHBondContact O-CA 3.33Å; F50-R99 WeakPolarHBondContact O-CB 3.3Å; F50-R99 WeakPolarHBondContact O-CG 3.49Å; L51-R99 PolarHBondContact O-NE 3.26Å; P52-R99 HydrophobicContact CB-CG 4.21Å; F95-R99 PolarHBondContact O-N 2.64Å; F95-R99 VanDerWaalsContact O-N 3.09Å; D96-R99 PolarHBondContact O-N 3.23Å; D96-R99 IonicContact OD1-CZ 3.29Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.95Å; D96-R99 IonicContact OD1-NH2 2.66Å; D96-R99 PolarHBondContact OD1-NH2 2.84Å; E97-R99 PolarHBondContact O-N 2.95Å; R99-E101 PolarHBondContact O-N 3.38Å; R99-I102 PolarHBondContact O-N 3.2Å; R99-E103 PolarHBondContact O-N 3.24Å
100T90.5Very high89.2Confident67 Ų6761.6 Ų61.641%0.41129%0.285SS..Hα-helixtrans-63.4-39.4178.2460000112.5D96 E97 I102 E103 E104D96-T100 PolarHBondContact O-N 2.83Å; D96-T100 PolarHBondContact O-OG1 2.98Å; E97-T100 WeakPolarHBondContact CA-OG1 3.19Å; E97-T100 PolarHBondContact O-N 3.09Å; E97-T100 VanDerWaalsContact O-N 3.09Å; E97-T100 PolarHBondContact O-OG1 3.01Å; T100-I102 VanDerWaalsContact C-N 3.34Å; T100-I102 PolarHBondContact O-N 3.37Å; T100-E103 PolarHBondContact O-N 2.88Å; T100-E104 WeakPolarHBondContact O-CB 3.18Å; T100-E104 WeakPolarHBondContact O-CG 3.22Å; T100-E104 PolarHBondContact O-N 2.79Å
101E92.2Very high88.8Confident25 Ų2557.5 Ų57.512%0.11728%0.279CS..Hα-helixtrans-63.8-37.5175.8-174.780.2-160.600111.6F84 H86 S87 R90 F92 E97 R99 E105F84-E101 HydrophobicContact CD2-CG 3.8Å; F84-E101 HydrophobicContact CE2-CB 3.9Å; F84-E101 HydrophobicContact CE2-CG 3.62Å; F84-E101 HydrophobicContact CG-CG 4.42Å; F84-E101 HydrophobicContact CZ-CB 4.2Å; F84-E101 HydrophobicContact CZ-CG 4.11Å; H86-E101 IonicContact CD2-OE1 3.56Å; H86-E101 IonicContact CE1-OE1 2.83Å; H86-E101 IonicContact NE2-OE1 2.9Å; H86-E101 PolarHBondContact NE2-OE1 2.86Å; S87-E101 PolarHBondContact OG-OE1 3.39Å; R90-E101 IonicContact CZ-OE2 3.36Å; R90-E101 IonicContact NH1-OE2 2.71Å; R90-E101 PolarHBondContact NH1-OE2 3.34Å; F92-E101 HydrophobicContact CE1-CB 3.82Å; F92-E101 HydrophobicContact CE1-CG 3.86Å; F92-E101 WeakPolarHBondContact CE1-OE2 3.36Å; F92-E101 HydrophobicContact CZ-CB 4.14Å; F92-E101 VanDerWaalsContact CZ-CD 3.49Å; F92-E101 HydrophobicContact CZ-CG 3.63Å; F92-E101 VanDerWaalsContact CZ-OE2 3.26Å; F92-E101 WeakPolarHBondContact CZ-OE2 3.23Å; E97-E101 PolarHBondContact O-N 3.46Å; R99-E101 PolarHBondContact O-N 3.38Å; E101-E105 WeakPolarHBondContact O-CB 3.44Å; E101-E105 PolarHBondContact O-N 3.27Å
102I91.2Very high88.2Confident9 Ų958.3 Ų58.35%0.04629%0.291CS..Hα-helixtrans-65.1-40.9173.4-69.9165.2000111.4F50 L51 P52 L63 F84 V98 R99 T100 T106 I121 M123F50-I102 HydrophobicContact CD2-CD1 4.01Å; F50-I102 HydrophobicContact CE2-CD1 4.48Å; L51-I102 HydrophobicContact CD2-CD1 4.49Å; P52-I102 HydrophobicContact CG-CG2 4.12Å; L63-I102 HydrophobicContact CD2-CD1 4.43Å; F84-I102 HydrophobicContact CE1-CD1 4.27Å; F84-I102 HydrophobicContact CE1-CG1 3.67Å; F84-I102 HydrophobicContact CZ-CD1 4.2Å; F84-I102 HydrophobicContact CZ-CG1 3.71Å; V98-I102 HydrophobicContact CG1-CD1 4.12Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.95Å; V98-I102 VanDerWaalsContact O-N 3.1Å; R99-I102 PolarHBondContact O-N 3.2Å; T100-I102 VanDerWaalsContact C-N 3.34Å; T100-I102 PolarHBondContact O-N 3.37Å; I102-T106 WeakPolarHBondContact O-CB 3.25Å; I102-T106 PolarHBondContact O-N 3.45Å; I102-T106 VanDerWaalsContact O-N 3.1Å; I102-T106 PolarHBondContact O-OG1 3.12Å; I102-I121 HydrophobicContact CG2-CD1 4.42Å; I102-M123 HydrophobicContact CD1-SD 4.23Å
103E90.1Very high87.4Confident91 Ų9163.4 Ų63.443%0.42532%0.318SS..Hα-helixtrans-66.5-48.7176.7-70.6-177.7162.300111.5P52 R99 T100 T106 E107P52-E103 HydrophobicContact CB-CG 3.6Å; P52-E103 WeakPolarHBondContact CB-OE1 3.47Å; P52-E103 HydrophobicContact CG-CG 4.21Å; R99-E103 PolarHBondContact O-N 3.24Å; T100-E103 PolarHBondContact O-N 2.88Å; E103-T106 PolarHBondContact O-N 3.31Å; E103-E107 VanDerWaalsContact O-CB 3.32Å; E103-E107 WeakPolarHBondContact O-CB 3.31Å; E103-E107 PolarHBondContact O-N 3.42Å
104E89.9Confident86.6Confident133 Ų13360.8 Ų60.862%0.62131%0.31SS*.Hα-helixtrans-65.6-46.2-179.8-72.6-174.1-175.700112.8T100 T106 E107 R108T100-E104 WeakPolarHBondContact O-CB 3.18Å; T100-E104 WeakPolarHBondContact O-CG 3.22Å; T100-E104 PolarHBondContact O-N 2.79Å; E104-T106 VanDerWaalsContact C-N 3.3Å; E104-T106 PolarHBondContact O-N 3Å; E104-E107 PolarHBondContact O-N 3.31Å; E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.31Å; E104-R108 PolarHBondContact O-N 2.85Å
105E88.9Confident86.2Confident9 Ų958.1 Ų58.14%0.04230%0.3CS..Hα-helixtrans-66.9-32.2176.4171.155-156.300111.7R61 H86 E101 R108 I121R61-E105 IonicContact CZ-OE1 3.45Å; R61-E105 VanDerWaalsContact NH1-CD 3.33Å; R61-E105 PolarHBondContact NH1-O 3.18Å; R61-E105 IonicContact NH1-OE1 3.86Å; R61-E105 PolarHBondContact NH1-OE1 2.92Å; R61-E105 IonicContact NH2-OE1 2.61Å; R61-E105 PolarHBondContact NH2-OE1 3.01Å; H86-E105 IonicContact CD2-OE2 3.43Å; E101-E105 WeakPolarHBondContact O-CB 3.44Å; E101-E105 PolarHBondContact O-N 3.27Å; E105-R108 VanDerWaalsContact CD-NH2 3.27Å; E105-R108 IonicContact OE1-CZ 3.66Å; E105-R108 IonicContact OE1-NH2 2.69Å; E105-R108 PolarHBondContact OE1-NH2 2.94Å; E105-R108 IonicContact OE2-CZ 2.73Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 3.02Å; E105-R108 IonicContact OE2-NH2 2.67Å; E105-R108 PolarHBondContact OE2-NH2 2.72Å; E105-I121 HydrophobicContact CB-CD1 4.45Å; E105-I121 HydrophobicContact CG-CD1 4.04Å; E105-I121 HydrophobicContact CG-CG1 4.12Å
106T89.4Confident86.1Confident10 Ų1058.1 Ų58.16%0.06130%0.301CS..Hα-helixtrans-65.2-49.3171.1-64.50000110.9R60 I102 E103 E104 R108 L109 A110R60-T106 HydrophobicContact CB-CG2 3.74Å; R60-T106 HydrophobicContact CG-CG2 4.5Å; I102-T106 WeakPolarHBondContact O-CB 3.25Å; I102-T106 PolarHBondContact O-N 3.45Å; I102-T106 VanDerWaalsContact O-N 3.1Å; I102-T106 PolarHBondContact O-OG1 3.12Å; E103-T106 PolarHBondContact O-N 3.31Å; E104-T106 VanDerWaalsContact C-N 3.3Å; E104-T106 PolarHBondContact O-N 3Å; T106-R108 PolarHBondContact O-N 2.97Å; T106-L109 PolarHBondContact O-N 2.87Å; T106-A110 VanDerWaalsContact O-CB 3.23Å; T106-A110 WeakPolarHBondContact O-CB 3.2Å; T106-A110 PolarHBondContact O-N 2.87Å
107E88.7Confident86Confident74 Ų7457.8 Ų57.835%0.34630%0.298SS..Hα-helixtrans-63.1-39.7-179.8-174.265.1-170.400112.3R60 E103 E104 L109 G111 S112R60-E107 IonicContact CZ-OE2 3.44Å; R60-E107 IonicContact NH1-OE2 3.22Å; R60-E107 PolarHBondContact NH1-OE2 3.05Å; R60-E107 IonicContact NH2-OE2 2.9Å; R60-E107 PolarHBondContact NH2-OE2 3.31Å; E103-E107 VanDerWaalsContact O-CB 3.32Å; E103-E107 WeakPolarHBondContact O-CB 3.31Å; E103-E107 PolarHBondContact O-N 3.42Å; E104-E107 PolarHBondContact O-N 3.31Å; E107-L109 PolarHBondContact O-N 3.1Å; E107-G111 VanDerWaalsContact O-CA 3.27Å; E107-G111 WeakPolarHBondContact O-CA 3.47Å; E107-G111 PolarHBondContact O-N 3.37Å; E107-G111 VanDerWaalsContact OE1-C 3.32Å; E107-G111 VanDerWaalsContact OE2-O 3.08Å; E107-S112 WeakPolarHBondContact OE1-CA 3.47Å; E107-S112 VanDerWaalsContact OE1-CB 3.27Å; E107-S112 WeakPolarHBondContact OE1-CB 3.46Å; E107-S112 PolarHBondContact OE1-N 3.48Å
108R88.3Confident85.8Confident164 Ų16458.2 Ų58.262%0.61930%0.3SS*.Hα-helixtrans-57.3-32.2179.8-171.1-178.369.486.93113.6E104 E105 T106E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.31Å; E104-R108 PolarHBondContact O-N 2.85Å; E105-R108 VanDerWaalsContact CD-NH2 3.27Å; E105-R108 IonicContact OE1-CZ 3.66Å; E105-R108 IonicContact OE1-NH2 2.69Å; E105-R108 PolarHBondContact OE1-NH2 2.94Å; E105-R108 IonicContact OE2-CZ 2.73Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 3.02Å; E105-R108 IonicContact OE2-NH2 2.67Å; E105-R108 PolarHBondContact OE2-NH2 2.72Å; T106-R108 PolarHBondContact O-N 2.97Å
109L85.7Confident85.6Confident76 Ų7660.1 Ų60.140%0.39832%0.316SS..Hα-helixtrans-103.1-39.4177.7-61-167.8000113.5T106 E107 I117T106-L109 PolarHBondContact O-N 2.87Å; E107-L109 PolarHBondContact O-N 3.1Å; L109-I117 VanDerWaalsContact C-CD1 3.43Å; L109-I117 HydrophobicContact CB-CD1 3.98Å; L109-I117 WeakPolarHBondContact O-CD1 3.31Å
110A81.6Confident85.6Confident14 Ų1458.5 Ų58.512%0.11631%0.312CS..Hα-helixtrans-80.8-23.2-177.100000113.5T106 I117T106-A110 VanDerWaalsContact O-CB 3.23Å; T106-A110 WeakPolarHBondContact O-CB 3.2Å; T106-A110 PolarHBondContact O-N 2.87Å; A110-I117 HydrophobicContact CB-CD1 4.21Å
111G81.7Confident85.6Confident29 Ų2955.6 Ų55.630%0.29929%0.294SS..  trans67.2-179.5-16800000112.9R60 E107 N113R60-G111 PolarHBondContact NH1-O 3.29Å; E107-G111 VanDerWaalsContact O-CA 3.27Å; E107-G111 WeakPolarHBondContact O-CA 3.47Å; E107-G111 PolarHBondContact O-N 3.37Å; E107-G111 VanDerWaalsContact OE1-C 3.32Å; E107-G111 VanDerWaalsContact OE2-O 3.08Å; G111-N113 PolarHBondContact O-N 3.14Å; G111-N113 VanDerWaalsContact O-O 3.12Å
112S76Confident85.6Confident94 Ų9454.8 Ų54.866%0.65729%0.29SS*.SBendtrans-71.9-17.4-176.455.50000114.2E107E107-S112 WeakPolarHBondContact OE1-CA 3.47Å; E107-S112 VanDerWaalsContact OE1-CB 3.27Å; E107-S112 WeakPolarHBondContact OE1-CB 3.46Å; E107-S112 PolarHBondContact OE1-N 3.48Å
113N72.5Confident85.6Confident108 Ų10854.4 Ų54.458%0.57829%0.288SS*.SBendtrans-64.6143.4169-61-23000109.1R60 G111 A115R60-N113 PolarHBondContact NH1-O 2.86Å; R60-N113 VanDerWaalsContact NH1-O 3.08Å; G111-N113 PolarHBondContact O-N 3.14Å; G111-N113 VanDerWaalsContact O-O 3.12Å; N113-A115 PolarHBondContact O-N 3.3Å
114K72.4Confident85.6Confident75 Ų7551.7 Ų51.733%0.32628%0.275SS..  trans-79.837.9-177.3-63.6-173.5-178.4-176.80113D148 Q149K114-D148 PolarHBondContact N-O 3.12Å; K114-Q149 HydrophobicContact CB-CG 3.68Å
115A80.9Confident85.7Confident31 Ų3145.4 Ų45.426%0.25625%0.246SC..  trans-66.1159.6172.800000111.6R60 N113R60-A115 WeakPolarHBondContact CD-O 3.3Å; N113-A115 PolarHBondContact O-N 3.3Å
116I85.3Confident85.7Confident18 Ų1847.5 Ų47.59%0.09226%0.255CS..  trans-117.4139.7177.6-60.5-176.7000108.2I57 R60 P139 I153 L157 I160I57-I116 HydrophobicContact CD1-CD1 3.88Å; I57-I116 HydrophobicContact CG2-CD1 4.26Å; R60-I116 VanDerWaalsContact O-CA 3.3Å; R60-I116 WeakPolarHBondContact O-CA 3.42Å; R60-I116 VanDerWaalsContact O-CG2 3.29Å; R60-I116 WeakPolarHBondContact O-CG2 3.4Å; I116-P139 HydrophobicContact CD1-CB 4.06Å; I116-P139 HydrophobicContact CG2-CB 4.28Å; I116-P139 HydrophobicContact CG2-CG 3.75Å; I116-I153 HydrophobicContact CD1-CD1 3.49Å; I116-I153 VanDerWaalsContact CD1-CD1 3.49Å; I116-I153 HydrophobicContact CD1-CG1 4.39Å; I116-I153 HydrophobicContact CG1-CD1 3.83Å; I116-L157 HydrophobicContact CD1-CD2 3.44Å; I116-L157 VanDerWaalsContact CD1-CD2 3.44Å; I116-L157 HydrophobicContact CD1-CG 3.91Å; I116-I160 HydrophobicContact CB-CD1 4.45Å; I116-I160 HydrophobicContact CG2-CD1 3.49Å; I116-I160 VanDerWaalsContact CG2-CD1 3.49Å
117I86.9Confident85.7Confident47 Ų4747.2 Ų47.224%0.24125%0.253CS..  trans-122.1134.8-178.8-79.3-176.4000110.5R60 R61 P62 L109 A110 A119R60-I117 PolarHBondContact O-N 3.49Å; R61-I117 HydrophobicContact CG-CB 4.03Å; R61-I117 HydrophobicContact CG-CG2 4.23Å; P62-I117 WeakPolarHBondContact CD-O 3.36Å; L109-I117 VanDerWaalsContact C-CD1 3.43Å; L109-I117 HydrophobicContact CB-CD1 3.98Å; L109-I117 WeakPolarHBondContact O-CD1 3.31Å; A110-I117 HydrophobicContact CB-CD1 4.21Å; I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 HydrophobicContact CG2-CB 3.68Å; I117-A119 PolarHBondContact O-N 3.46Å
118Q87.5Confident85.5Confident97 Ų9743.9 Ų43.945%0.45324%0.238SC..SBendtrans-71.8-24.2-179.7-168.8178.329.200113.4P120 I160 S163Q118-P120 WeakPolarHBondContact O-CD 3.45Å; Q118-I160 HydrophobicContact CB-CD1 4.21Å; Q118-I160 HydrophobicContact CB-CG1 3.99Å; Q118-I160 HydrophobicContact CG-CG1 4.11Å; Q118-S163 VanDerWaalsContact NE2-CB 3.34Å; Q118-S163 PolarHBondContact NE2-OG 3.22Å
119A87.9Confident85.3Confident41 Ų4142.8 Ų42.834%0.33923%0.234SC..SBendtrans-64.9118179.600000110.7R61 I117R61-A119 PolarHBondContact NE-O 3.21Å; I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 HydrophobicContact CG2-CB 3.68Å; I117-A119 PolarHBondContact O-N 3.46Å
120P90.2Very high85.4Confident17 Ų1739.4 Ų39.411%0.1122%0.216CC..PPolyproline II helixtrans-69162.1-174.828-35000112.3Y16 R61 P62 I64 Q118 I122Y16-P120 HydrophobicContact CE2-CG 4.34Å; R61-P120 PolarHBondContact NH2-O 2.93Å; P62-P120 HydrophobicContact CB-CB 4.22Å; P62-P120 CarbonylContact O-C 3.58Å; P62-P120 WeakPolarHBondContact O-CA 3.43Å; I64-P120 HydrophobicContact CD1-CB 3.92Å; I64-P120 HydrophobicContact CD1-CG 4.16Å; I64-P120 HydrophobicContact CG1-CB 3.99Å; Q118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-I122 HydrophobicContact CG-CG1 4.49Å
121I91Very high85.7Confident5 Ų540.8 Ų40.83%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-96.3134.7153.1-61176.2000106.3R61 P62 L63 I64 F84 I102 E105R61-I121 VanDerWaalsContact CZ-CG1 3.5Å; P62-I121 PolarHBondContact O-N 2.99Å; L63-I121 HydrophobicContact CD1-CB 3.8Å; L63-I121 HydrophobicContact CD1-CG2 3.73Å; I64-I121 PolarHBondContact N-O 3.21Å; F84-I121 HydrophobicContact CD1-CG2 3.81Å; F84-I121 HydrophobicContact CE1-CG2 4Å; I102-I121 HydrophobicContact CG2-CD1 4.42Å; E105-I121 HydrophobicContact CB-CD1 4.45Å; E105-I121 HydrophobicContact CG-CD1 4.04Å; E105-I121 HydrophobicContact CG-CG1 4.12Å
122I90.5Very high85.9Confident8 Ų840 Ų404%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-113117.6177.3-57.9174000107.7Y16 I64 F85 P120Y16-I122 HydrophobicContact CD1-CD1 4.03Å; Y16-I122 HydrophobicContact CD2-CD1 3.91Å; Y16-I122 HydrophobicContact CE1-CD1 4.11Å; Y16-I122 HydrophobicContact CE2-CD1 3.98Å; Y16-I122 HydrophobicContact CG-CD1 3.93Å; I64-I122 HydrophobicContact CB-CG1 4.48Å; I64-I122 HydrophobicContact CD1-CG1 4.38Å; F85-I122 HydrophobicContact CB-CB 3.91Å; F85-I122 HydrophobicContact CB-CG2 4.3Å; F85-I122 PolarHBondContact N-O 3.03Å; P120-I122 HydrophobicContact CG-CG1 4.49Å
123M91.5Very high86.6Confident2 Ų235.5 Ų35.51%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-126.8128.2-176.7-168.6-177.477.200110.5F50 L63 I64 L65 Q66 V82 F84 V98 I102F50-M123 HydrophobicContact CD2-CE 3.83Å; F50-M123 HydrophobicContact CE2-CE 3.5Å; F50-M123 VanDerWaalsContact CE2-CE 3.5Å; F50-M123 HydrophobicContact CZ-CE 4.23Å; L63-M123 HydrophobicContact CD1-CB 4.19Å; I64-M123 PolarHBondContact O-N 3.12Å; L65-M123 HydrophobicContact CD1-CE 3.36Å; Q66-M123 PolarHBondContact N-O 3.06Å; V82-M123 HydrophobicContact CG1-CG 3.58Å; V82-M123 HydrophobicContact CG1-SD 3.62Å; F84-M123 HydrophobicContact CD1-CB 3.81Å; F84-M123 HydrophobicContact CD1-CG 3.74Å; F84-M123 HydrophobicContact CD1-SD 4.28Å; F84-M123 HydrophobicContact CE1-CB 3.84Å; F84-M123 HydrophobicContact CE1-CG 3.55Å; F84-M123 HydrophobicContact CE1-SD 3.47Å; F84-M123 WeakPolarHBondContact CE1-SD 3.47Å; F84-M123 HydrophobicContact CE2-SD 4.35Å; F84-M123 HydrophobicContact CG-CG 4.33Å; F84-M123 HydrophobicContact CZ-CG 3.99Å; F84-M123 HydrophobicContact CZ-SD 3.52Å; F84-M123 VanDerWaalsContact CZ-SD 3.52Å; V98-M123 HydrophobicContact CG1-SD 3.63Å; I102-M123 HydrophobicContact CD1-SD 4.23Å
124K90.4Very high87.5Confident33 Ų3330.4 Ų30.414%0.14315%0.154CC..EExtended strand (participates in β ladder)trans-100.2133.7172.4-70.1168.8-175.3172.70108.9D13 Q66 V82 Q83 F126D13-K124 WeakPolarHBondContact OD1-CE 3.26Å; D13-K124 IonicContact OD1-NZ 3.91Å; D13-K124 PolarHBondContact OD1-NZ 2.96Å; D13-K124 IonicContact OD2-NZ 3.53Å; D13-K124 PolarHBondContact OD2-NZ 3.06Å; Q66-K124 HydrophobicContact CB-CG 4.07Å; Q66-K124 WeakPolarHBondContact O-CA 3.31Å; V82-K124 WeakPolarHBondContact CA-O 3.44Å; Q83-K124 HydrophobicContact CB-CB 4.48Å; Q83-K124 PolarHBondContact N-O 3.36Å; Q83-K124 PolarHBondContact O-N 3.28Å; K124-F126 HydrophobicContact CB-CE2 3.9Å; K124-F126 HydrophobicContact CB-CZ 4.2Å; K124-F126 HydrophobicContact CD-CZ 4.34Å
125L91.5Very high88.4Confident1 Ų127 Ų271%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-121.2121169.4168.560.8000109.1V46 Q66 L67 T68 D80 V82 F95 V130V46-L125 HydrophobicContact CG1-CD2 3.51Å; V46-L125 HydrophobicContact CG2-CD2 4.49Å; Q66-L125 PolarHBondContact O-N 2.89Å; L67-L125 HydrophobicContact CD2-CB 3.94Å; L67-L125 HydrophobicContact CD2-CD2 3.91Å; L67-L125 HydrophobicContact CD2-CG 4.29Å; T68-L125 PolarHBondContact N-O 3.19Å; D80-L125 HydrophobicContact CB-CD1 4.13Å; V82-L125 HydrophobicContact CG2-CB 4.35Å; V82-L125 HydrophobicContact CG2-CD1 3.64Å; F95-L125 HydrophobicContact CE1-CD1 4.16Å; F95-L125 HydrophobicContact CE1-CD2 4.37Å; F95-L125 HydrophobicContact CZ-CD1 3.98Å; L125-V130 HydrophobicContact CD2-CG1 4.24Å
126F89.8Confident89Confident54 Ų5425.6 Ų25.624%0.23713%0.127CC..EExtended strand (participates in β ladder)trans-100.7118.4172.5-60-77.9000108.5T68 T70 D80 E81 K124T68-F126 HydrophobicContact CG2-CD1 4.03Å; T68-F126 HydrophobicContact CG2-CE1 4.12Å; T68-F126 WeakPolarHBondContact O-CA 3.45Å; T70-F126 HydrophobicContact CG2-CB 3.72Å; T70-F126 HydrophobicContact CG2-CD1 4.2Å; T70-F126 HydrophobicContact CG2-CG 4.43Å; D80-F126 CarbonylContact C-O 3.55Å; D80-F126 WeakPolarHBondContact CA-O 2.95Å; E81-F126 HydrophobicContact CB-CB 4.22Å; E81-F126 HydrophobicContact CB-CD2 4.48Å; E81-F126 PolarHBondContact N-O 2.9Å; E81-F126 PolarHBondContact O-N 2.97Å; K124-F126 HydrophobicContact CB-CE2 3.9Å; K124-F126 HydrophobicContact CB-CZ 4.2Å; K124-F126 HydrophobicContact CD-CZ 4.34Å
127S88.6Confident89.4Confident3 Ų324.9 Ų24.92%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-155142.9-177.7174.20000111.9T68 N69 T70 D80 R129T68-S127 PolarHBondContact O-N 3.23Å; T68-S127 VanDerWaalsContact O-N 3.08Å; N69-S127 VanDerWaalsContact CA-O 3.31Å; N69-S127 WeakPolarHBondContact CA-O 3.14Å; T70-S127 PolarHBondContact N-O 3.01Å; D80-S127 WeakPolarHBondContact OD1-CB 3.17Å; D80-S127 PolarHBondContact OD1-OG 2.97Å; S127-R129 PolarHBondContact O-N 3.25Å; S127-R129 PolarHBondContact OG-N 2.97Å; S127-R129 VanDerWaalsContact OG-N 3.12Å
128T85.8Confident89.7Confident5 Ų522.6 Ų22.63%0.03111%0.112CC..THydrogen-bonded Turntrans-69.7-13.6173.660.20000113.1T70 K71 C78T70-T128 PolarHBondContact OG1-N 3.34Å; K71-T128 WeakPolarHBondContact CE-O 3.34Å; K71-T128 HydrophobicContact CG-CG2 4.17Å; C78-T128 HydrophobicContact CB-CG2 4.31Å
129R83.7Confident89.8Confident141 Ų14118 Ų1853%0.5329%0.09SC..THydrogen-bonded Turntrans-98.7-19.5-171-70.3172.8-86.2-98.1-0.6114.8D77 D80 S127D77-R129 IonicContact OD1-NH1 2.79Å; D80-R129 IonicContact OD1-CZ 2.81Å; D80-R129 IonicContact OD1-NE 2.62Å; D80-R129 PolarHBondContact OD1-NE 3.16Å; D80-R129 IonicContact OD1-NH2 2.72Å; D80-R129 PolarHBondContact OD1-NH2 2.88Å; D80-R129 IonicContact OD2-CZ 3.83Å; D80-R129 IonicContact OD2-NE 2.64Å; D80-R129 IonicContact OD2-NH2 3.46Å; D80-R129 PolarHBondContact OD2-NH2 3.45Å; S127-R129 PolarHBondContact O-N 3.25Å; S127-R129 PolarHBondContact OG-N 2.97Å; S127-R129 VanDerWaalsContact OG-N 3.12Å
130V87.1Confident89.9Confident4 Ų416.5 Ų16.52%0.0248%0.078CC..SBendtrans-90.7165.1-178.8-580000112.2L67 N69 L125L67-V130 HydrophobicContact CB-CB 4.34Å; L67-V130 HydrophobicContact CB-CG2 4.04Å; L67-V130 HydrophobicContact CD1-CB 4.34Å; L67-V130 HydrophobicContact CD1-CG1 4.49Å; N69-V130 WeakPolarHBondContact CB-O 3.34Å; N69-V130 PolarHBondContact ND2-O 3.18Å; L125-V130 HydrophobicContact CD2-CG1 4.24Å
131V87.6Confident89.8Confident43 Ų4316.1 Ų16.126%0.2618%0.075SC..PPolyproline II helixtrans-95.6154.5164.5-59.80000110.1L67 L133 T277 N281L67-V131 WeakPolarHBondContact CB-O 3.24Å; V131-L133 HydrophobicContact CG2-CB 4.28Å; V131-L133 PolarHBondContact O-N 2.84Å; V131-L133 VanDerWaalsContact O-N 3.14Å; V131-T277 HydrophobicContact CG1-CG2 4.26Å; V131-T277 HydrophobicContact CG2-CG2 3.5Å; V131-T277 VanDerWaalsContact CG2-CG2 3.5Å; V131-N281 HydrophobicContact CG2-CB 3.98Å
132N87.6Confident89.5Confident12 Ų1216.3 Ų16.36%0.0648%0.077CC..SBendtrans-57.9119170.2-74.411.2000109D2 I5 L67 N69 N281D2-N132 PolarHBondContact O-ND2 3.16Å; I5-N132 HydrophobicContact CB-CB 4.18Å; I5-N132 HydrophobicContact CD1-CB 3.88Å; I5-N132 WeakPolarHBondContact CD1-O 3.1Å; I5-N132 HydrophobicContact CG2-CB 4.14Å; L67-N132 WeakPolarHBondContact O-CA 3.41Å; N69-N132 WeakPolarHBondContact CB-OD1 3.15Å; N69-N132 PolarHBondContact N-OD1 3.41Å; N132-N281 PolarHBondContact O-ND2 2.91Å
133L90.1Very high89.1Confident0 Ų021.4 Ų21.40%010%0.098CC..EExtended strand (participates in β ladder)trans-164.4137.4-174.4-167.967.2000111.8I28 I45 L67 V131 L135 L280 N281 L284I28-L133 HydrophobicContact CD1-CD1 3.78Å; I45-L133 HydrophobicContact CG2-CD2 4.16Å; L67-L133 HydrophobicContact CB-CB 4.27Å; L67-L133 WeakPolarHBondContact CB-O 3.43Å; L67-L133 HydrophobicContact CD1-CB 4.3Å; L67-L133 PolarHBondContact N-O 3.07Å; L67-L133 PolarHBondContact O-N 3.5Å; V131-L133 HydrophobicContact CG2-CB 4.28Å; V131-L133 PolarHBondContact O-N 2.84Å; V131-L133 VanDerWaalsContact O-N 3.14Å; L133-L135 HydrophobicContact CD2-CD1 3.9Å; L133-L135 HydrophobicContact CD2-CD2 3.87Å; L133-L135 HydrophobicContact CD2-CG 3.8Å; L133-L135 HydrophobicContact CG-CD2 4.11Å; L133-L135 HydrophobicContact CG-CG 4.02Å; L133-L280 HydrophobicContact CD1-CB 3.92Å; L133-L280 HydrophobicContact CD2-CB 4.18Å; L133-L280 HydrophobicContact CD2-CD1 4.47Å; L133-N281 HydrophobicContact CD1-CB 4.37Å; L133-L284 HydrophobicContact CD1-CB 4.4Å; L133-L284 HydrophobicContact CD1-CD2 3.95Å
134T90.1Very high88.8Confident2 Ų227.2 Ų27.21%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-115.1114.7173.6-52.20000109.9N9 I28 I64 L65 Q66N9-T134 PolarHBondContact OD1-OG1 2.89Å; I28-T134 PolarHBondContact N-O 2.9Å; I64-T134 HydrophobicContact CG2-CG2 4.05Å; L65-T134 WeakPolarHBondContact O-CA 3.43Å; Q66-T134 HydrophobicContact CG-CG2 3.99Å
135L92.4Very high88.2Confident4 Ų428.4 Ų28.42%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-116.2146.8-178.3-65.6179.2000110.4I28 I45 L65 L133 L280I28-L135 HydrophobicContact CB-CD2 3.88Å; I28-L135 HydrophobicContact CD1-CD2 4.21Å; I28-L135 HydrophobicContact CG2-CD2 3.68Å; I28-L135 CarbonylContact O-C 3.56Å; I45-L135 HydrophobicContact CD1-CD1 4.14Å; I45-L135 HydrophobicContact CG2-CD1 4.28Å; L65-L135 HydrophobicContact CB-CB 4.41Å; L65-L135 HydrophobicContact CD2-CB 4.46Å; L65-L135 HydrophobicContact CD2-CD1 4.33Å; L65-L135 PolarHBondContact N-O 3.04Å; L65-L135 PolarHBondContact O-N 2.96Å; L133-L135 HydrophobicContact CD2-CD1 3.9Å; L133-L135 HydrophobicContact CD2-CD2 3.87Å; L133-L135 HydrophobicContact CD2-CG 3.8Å; L133-L135 HydrophobicContact CG-CD2 4.11Å; L133-L135 HydrophobicContact CG-CG 4.02Å; L135-L280 HydrophobicContact CD2-CD1 4.38Å
136V92.9Very high87.5Confident0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-116.9112.6168.9-170.80000109.3Q27 I28 V29 A30 P62 L63 I64 L138 Y164Q27-V136 HydrophobicContact CG-CG2 4.37Å; I28-V136 PolarHBondContact O-N 3.16Å; V29-V136 HydrophobicContact CG2-CB 4.42Å; V29-V136 HydrophobicContact CG2-CG2 4.38Å; A30-V136 WeakPolarHBondContact CB-O 3.2Å; A30-V136 PolarHBondContact N-O 2.92Å; P62-V136 HydrophobicContact CB-CG1 4.42Å; L63-V136 CarbonylContact O-C 3.29Å; L63-V136 WeakPolarHBondContact O-CA 3.24Å; I64-V136 HydrophobicContact CG1-CG1 4.24Å; I64-V136 HydrophobicContact CG1-CG2 4.15Å; I64-V136 HydrophobicContact CG2-CG2 4.24Å; V136-L138 HydrophobicContact CG1-CD2 3.73Å; V136-L138 HydrophobicContact CG1-CG 4.27Å; V136-Y164 HydrophobicContact CG1-CD1 4.15Å; V136-Y164 HydrophobicContact CG1-CE1 3.97Å
137D93.9Very high86.9Confident3 Ų331.8 Ų31.82%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-76.9131.4162.9-163.827.1000108.6K38 S39 I42 T59 P62 L63K38-D137 WeakPolarHBondContact CE-OD1 3.33Å; S39-D137 PolarHBondContact OG-OD2 3.28Å; I42-D137 HydrophobicContact CD1-CB 3.52Å; T59-D137 WeakPolarHBondContact CG2-OD2 3.31Å; T59-D137 PolarHBondContact OG1-OD2 2.89Å; P62-D137 WeakPolarHBondContact CA-O 3.29Å; L63-D137 HydrophobicContact CB-CB 4.37Å; L63-D137 PolarHBondContact N-O 2.89Å; L63-D137 PolarHBondContact O-N 2.86Å
138L92.7Very high86.4Confident0 Ų037 Ų370%021%0.205CC..  trans-110.3154.1173-66.9-173.2000110.8V29 V31 K38 P62 V136 I161 Y164V29-L138 HydrophobicContact CG1-CD1 3.37Å; V29-L138 HydrophobicContact CG1-CG 3.87Å; V31-L138 HydrophobicContact CG2-CD1 4.4Å; K38-L138 WeakPolarHBondContact CE-O 3.45Å; K38-L138 PolarHBondContact NZ-O 3.12Å; P62-L138 HydrophobicContact CB-CD2 3.75Å; P62-L138 HydrophobicContact CG-CD2 3.96Å; V136-L138 HydrophobicContact CG1-CD2 3.73Å; V136-L138 HydrophobicContact CG1-CG 4.27Å; L138-I161 HydrophobicContact CD1-CB 4.29Å; L138-I161 HydrophobicContact CD1-CG1 3.95Å; L138-I161 HydrophobicContact CD1-CG2 4.33Å; L138-Y164 HydrophobicContact CD2-CD2 4.04Å; L138-Y164 HydrophobicContact CD2-CE2 4.19Å; L138-Y164 HydrophobicContact CD2-CG 4.25Å
139P90.5Very high86.2Confident1 Ų137.6 Ų37.61%0.00621%0.208CC..PPolyproline II helixtrans-46.1147.4169.3-29.936.1000113.7K38 I57 T59 I116 L157K38-P139 PolarHBondContact NZ-O 3.06Å; I57-P139 HydrophobicContact CG2-CB 4.49Å; T59-P139 WeakPolarHBondContact O-CA 3.34Å; T59-P139 VanDerWaalsContact O-CB 3.27Å; T59-P139 WeakPolarHBondContact O-CB 3.17Å; T59-P139 WeakPolarHBondContact O-CG 3.31Å; I116-P139 HydrophobicContact CD1-CB 4.06Å; I116-P139 HydrophobicContact CG2-CB 4.28Å; I116-P139 HydrophobicContact CG2-CG 3.75Å; P139-L157 HydrophobicContact CB-CD2 3.47Å; P139-L157 VanDerWaalsContact CB-CD2 3.47Å
140G89Confident86Confident8 Ų832.8 Ų32.88%0.08220%0.195CC..PPolyproline II helixtrans-72.6132.9-18000000112T142G140-T142 PolarHBondContact O-N 2.7Å
141I88.4Confident85.8Confident10 Ų1038.3 Ų38.35%0.05123%0.233CC..BIsolated β-bridgetrans-62.8128.8175.1-53.4159.6000109V31 G32 Q34 I161 D186 M190V31-I141 HydrophobicContact CG1-CD1 4.02Å; G32-I141 PolarHBondContact O-N 2.94Å; Q34-I141 PolarHBondContact N-O 2.95Å; I141-I161 HydrophobicContact CD1-CD1 4.4Å; I141-I161 HydrophobicContact CG1-CD1 3.63Å; I141-D186 HydrophobicContact CD1-CB 4.14Å; I141-D186 HydrophobicContact CG2-CB 4.49Å; I141-M190 HydrophobicContact CD1-SD 3.54Å; I141-M190 VanDerWaalsContact CD1-SD 3.54Å; I141-M190 HydrophobicContact CG1-SD 4.1Å
142T85.4Confident85.7Confident8 Ų839 Ų395%0.04924%0.236CC..  trans-138.6125.8178.156.80000111.2Q34 I57 G140 L157Q34-T142 HydrophobicContact CB-CG2 3.7Å; Q34-T142 HydrophobicContact CG-CG2 4.18Å; I57-T142 HydrophobicContact CD1-CG2 3.75Å; I57-T142 HydrophobicContact CG1-CG2 3.84Å; G140-T142 PolarHBondContact O-N 2.7Å; T142-L157 VanDerWaalsContact OG1-CD1 3.23Å; T142-L157 WeakPolarHBondContact OG1-CD1 3.26Å
143K83Confident85.6Confident115 Ų11538.5 Ų38.550%0.523%0.233SC..SBendtrans-86.1-6.9178.8-67.3172.4167.71530114.4D186K143-D186 VanDerWaalsContact CE-OD1 3.3Å; K143-D186 WeakPolarHBondContact CE-OD1 3.46Å; K143-D186 WeakPolarHBondContact CE-OD2 3.48Å; K143-D186 IonicContact NZ-OD1 3.13Å; K143-D186 PolarHBondContact NZ-OD1 3.21Å; K143-D186 IonicContact NZ-OD2 3.98Å; K143-D186 PolarHBondContact NZ-OD2 2.88Å
144I83.7Confident85.5Confident125 Ų12542.2 Ų42.264%0.64125%0.251SS*.SBendtrans-139.3124.9-176.3-56.9178.5000107.7
145P79.3Confident85.5Confident58 Ų5847.6 Ų47.638%0.37728%0.279SS..  trans-67.7137.7174.627.1-33.1000111.2Q149 I153P145-Q149 HydrophobicContact CB-CB 3.82Å; P145-I153 HydrophobicContact CB-CG2 3.86Å
146V76.7Confident85.4Confident60 Ų6051 Ų5136%0.36429%0.294SS..  trans-124.5121.6-178.5-69.20000112.5Q149V146-Q149 WeakPolarHBondContact O-CG 3.4Å
147G76.9Confident85.3Confident66 Ų6651 Ų5168%0.6829%0.294SS*.SBendtrans67.3-140.7-171.600000111.3Q149G147-Q149 PolarHBondContact O-N 2.83Å
148D78.4Confident85.2Confident112 Ų11253.6 Ų53.660%0.59931%0.308SS*.SBendtrans-77.437.4-174.4-38.2-82.5000113.4K114K114-D148 PolarHBondContact N-O 3.12Å
149Q80.3Confident85.1Confident17 Ų1759.8 Ų59.88%0.07934%0.336CS..  trans-87.2141.1173.7-73.4-176.4-20.900110.2I57 K114 P145 V146 G147I57-Q149 VanDerWaalsContact CD1-NE2 3.32Å; K114-Q149 HydrophobicContact CB-CG 3.68Å; P145-Q149 HydrophobicContact CB-CB 3.82Å; V146-Q149 WeakPolarHBondContact O-CG 3.4Å; G147-Q149 PolarHBondContact O-N 2.83Å
150P79.7Confident85.2Confident40 Ų4060.1 Ų60.126%0.2634%0.338SS..  trans-69.3154.3178.933.2-38.4000111.1D152 I153P150-D152 WeakPolarHBondContact CB-OD1 3.47Å; P150-D152 PolarHBondContact O-N 2.9Å; P150-D152 VanDerWaalsContact O-N 3.16Å; P150-I153 HydrophobicContact CG-CD1 4.31Å; P150-I153 WeakPolarHBondContact O-CB 3.5Å; P150-I153 PolarHBondContact O-N 3.13Å
151S82.5Confident85.3Confident120 Ų12059.8 Ų59.884%0.83934%0.335SS*.THydrogen-bonded Turntrans-66.6-14.8-177.850.20000114.6
152D86.7Confident85.5Confident58 Ų5861.3 Ų61.331%0.3134%0.342SS..THydrogen-bonded Turntrans-100.319.2177.464.7-6.4000113.3P150 E154 N155 K156P150-D152 WeakPolarHBondContact CB-OD1 3.47Å; P150-D152 PolarHBondContact O-N 2.9Å; P150-D152 VanDerWaalsContact O-N 3.16Å; D152-E154 VanDerWaalsContact C-N 3.29Å; D152-E154 PolarHBondContact O-N 3.14Å; D152-N155 PolarHBondContact O-N 3.32Å; D152-N155 VanDerWaalsContact O-N 3.15Å; D152-K156 PolarHBondContact O-N 3.24Å; D152-K156 VanDerWaalsContact O-N 3.08Å; D152-K156 WeakPolarHBondContact OD1-CE 3.5Å; D152-K156 IonicContact OD1-NZ 2.63Å; D152-K156 PolarHBondContact OD1-NZ 2.88Å; D152-K156 WeakPolarHBondContact OD2-CE 3.35Å; D152-K156 IonicContact OD2-NZ 2.8Å; D152-K156 PolarHBondContact OD2-NZ 2.95Å
153I85.8Confident85.8Confident2 Ų263 Ų631%0.0135%0.354CS..Hα-helixtrans-55.1-39.2-175.8-166.560.5000113.6I57 I116 P145 P150 K156 L157I57-I153 HydrophobicContact CD1-CG1 4.45Å; I116-I153 HydrophobicContact CD1-CD1 3.49Å; I116-I153 VanDerWaalsContact CD1-CD1 3.49Å; I116-I153 HydrophobicContact CD1-CG1 4.39Å; I116-I153 HydrophobicContact CG1-CD1 3.83Å; P145-I153 HydrophobicContact CB-CG2 3.86Å; P150-I153 HydrophobicContact CG-CD1 4.31Å; P150-I153 WeakPolarHBondContact O-CB 3.5Å; P150-I153 PolarHBondContact O-N 3.13Å; I153-K156 PolarHBondContact O-N 3.32Å; I153-L157 HydrophobicContact CG1-CD1 4.09Å; I153-L157 HydrophobicContact CG1-CG 4.49Å; I153-L157 WeakPolarHBondContact O-CB 3.45Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.42Å; I153-L157 PolarHBondContact O-N 3.44Å
154E88Confident86.2Confident78 Ų7858.7 Ų58.736%0.36434%0.335SS..Hα-helixtrans-64.5-46.7178.5-172.6172.2-154.600111D152 K156 L157 D158D152-E154 VanDerWaalsContact C-N 3.29Å; D152-E154 PolarHBondContact O-N 3.14Å; E154-K156 VanDerWaalsContact C-N 3.33Å; E154-K156 PolarHBondContact O-N 3.39Å; E154-L157 WeakPolarHBondContact O-CB 3.45Å; E154-L157 PolarHBondContact O-N 2.69Å; E154-D158 WeakPolarHBondContact O-CB 3.36Å; E154-D158 PolarHBondContact O-N 2.88Å
155N90.2Very high86.6Confident115 Ų11552.8 Ų52.862%0.61530%0.304SS*.Hα-helixtrans-61.8-39.1177-63.7-37.8000112.2D152 D158 E159D152-N155 PolarHBondContact O-N 3.32Å; D152-N155 VanDerWaalsContact O-N 3.15Å; N155-D158 PolarHBondContact O-N 2.9Å; N155-E159 WeakPolarHBondContact O-CB 3.11Å; N155-E159 PolarHBondContact O-N 3.49Å
156K89.1Confident87.2Confident75 Ų7557.5 Ų57.533%0.32632%0.319SS..Hα-helixtrans-71.1-36.6177.4-76.3173.3176.61510112.7D152 I153 E154 I160D152-K156 PolarHBondContact O-N 3.24Å; D152-K156 VanDerWaalsContact O-N 3.08Å; D152-K156 WeakPolarHBondContact OD1-CE 3.5Å; D152-K156 IonicContact OD1-NZ 2.63Å; D152-K156 PolarHBondContact OD1-NZ 2.88Å; D152-K156 WeakPolarHBondContact OD2-CE 3.35Å; D152-K156 IonicContact OD2-NZ 2.8Å; D152-K156 PolarHBondContact OD2-NZ 2.95Å; I153-K156 PolarHBondContact O-N 3.32Å; E154-K156 VanDerWaalsContact C-N 3.33Å; E154-K156 PolarHBondContact O-N 3.39Å; K156-I160 WeakPolarHBondContact O-CB 3.28Å; K156-I160 VanDerWaalsContact O-CG1 3.23Å; K156-I160 WeakPolarHBondContact O-CG1 3.46Å; K156-I160 PolarHBondContact O-N 3.42Å
157L90.8Very high87.7Confident1 Ų154.9 Ų54.91%0.00530%0.303CS..Hα-helixtrans-62.9-48.2171.5-77.5167.3000110.6I57 I116 P139 T142 I153 E154 I160 I161I57-L157 HydrophobicContact CD1-CD1 4.18Å; I116-L157 HydrophobicContact CD1-CD2 3.44Å; I116-L157 VanDerWaalsContact CD1-CD2 3.44Å; I116-L157 HydrophobicContact CD1-CG 3.91Å; P139-L157 HydrophobicContact CB-CD2 3.47Å; P139-L157 VanDerWaalsContact CB-CD2 3.47Å; T142-L157 VanDerWaalsContact OG1-CD1 3.23Å; T142-L157 WeakPolarHBondContact OG1-CD1 3.26Å; I153-L157 HydrophobicContact CG1-CD1 4.09Å; I153-L157 HydrophobicContact CG1-CG 4.49Å; I153-L157 WeakPolarHBondContact O-CB 3.45Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.42Å; I153-L157 PolarHBondContact O-N 3.44Å; E154-L157 WeakPolarHBondContact O-CB 3.45Å; E154-L157 PolarHBondContact O-N 2.69Å; L157-I160 PolarHBondContact O-N 3.36Å; L157-I161 WeakPolarHBondContact O-CB 3.49Å; L157-I161 WeakPolarHBondContact O-CD1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.48Å
158D91.5Very high88.2Confident56 Ų5657 Ų5730%0.29930%0.299SS..Hα-helixtrans-62.8-44.2178-82.87.8000111.8E154 N155 I160 I161 M162 M190E154-D158 WeakPolarHBondContact O-CB 3.36Å; E154-D158 PolarHBondContact O-N 2.88Å; N155-D158 PolarHBondContact O-N 2.9Å; D158-I160 PolarHBondContact O-N 3.25Å; D158-I161 PolarHBondContact O-N 3.2Å; D158-M162 WeakPolarHBondContact O-CB 3.36Å; D158-M162 WeakPolarHBondContact O-CG 3.34Å; D158-M162 PolarHBondContact O-N 3.36Å; D158-M190 HydrophobicContact CB-CE 4.28Å; D158-M190 WeakPolarHBondContact OD1-CE 3.22Å
159E91.5Very high88.7Confident130 Ų13052.4 Ų52.461%0.60728%0.276SS*.Hα-helixtrans-59.7-47.1175.5-179.2173.1-150.600111.9N155 S163N155-E159 WeakPolarHBondContact O-CB 3.11Å; N155-E159 PolarHBondContact O-N 3.49Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.11Å; E159-S163 PolarHBondContact O-OG 3.35Å
160I91.6Very high89.2Confident9 Ų951.6 Ų51.65%0.04627%0.272CS..Hα-helixtrans-64.2-52.1177.9-69.8172.1000110P62 I116 Q118 K156 L157 D158 M162 S163 Y164P62-I160 HydrophobicContact CG-CG2 4.02Å; I116-I160 HydrophobicContact CB-CD1 4.45Å; I116-I160 HydrophobicContact CG2-CD1 3.49Å; I116-I160 VanDerWaalsContact CG2-CD1 3.49Å; Q118-I160 HydrophobicContact CB-CD1 4.21Å; Q118-I160 HydrophobicContact CB-CG1 3.99Å; Q118-I160 HydrophobicContact CG-CG1 4.11Å; K156-I160 WeakPolarHBondContact O-CB 3.28Å; K156-I160 VanDerWaalsContact O-CG1 3.23Å; K156-I160 WeakPolarHBondContact O-CG1 3.46Å; K156-I160 PolarHBondContact O-N 3.42Å; L157-I160 PolarHBondContact O-N 3.36Å; D158-I160 PolarHBondContact O-N 3.25Å; I160-M162 PolarHBondContact O-N 3.02Å; I160-S163 PolarHBondContact O-N 2.97Å; I160-S163 VanDerWaalsContact O-N 3.16Å; I160-S163 PolarHBondContact O-OG 3.28Å; I160-Y164 WeakPolarHBondContact O-CD2 3.39Å; I160-Y164 PolarHBondContact O-N 2.91Å
161I92.9Very high89.9Confident1 Ų149.9 Ų49.91%0.00526%0.261CS..Hα-helixtrans-59.6-47.5-179.1-67.5164.4000110.9V31 L138 I141 L157 D158 S163 Y164 I165 M190V31-I161 HydrophobicContact CG1-CG2 4.01Å; V31-I161 HydrophobicContact CG2-CG2 4.06Å; L138-I161 HydrophobicContact CD1-CB 4.29Å; L138-I161 HydrophobicContact CD1-CG1 3.95Å; L138-I161 HydrophobicContact CD1-CG2 4.33Å; I141-I161 HydrophobicContact CD1-CD1 4.4Å; I141-I161 HydrophobicContact CG1-CD1 3.63Å; L157-I161 WeakPolarHBondContact O-CB 3.49Å; L157-I161 WeakPolarHBondContact O-CD1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.48Å; D158-I161 PolarHBondContact O-N 3.2Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.27Å; I161-Y164 PolarHBondContact O-N 3.11Å; I161-Y164 VanDerWaalsContact O-N 3.09Å; I161-I165 HydrophobicContact CG2-CD1 3.91Å; I161-I165 HydrophobicContact CG2-CG1 4.19Å; I161-I165 HydrophobicContact CG2-CG2 4.35Å; I161-I165 WeakPolarHBondContact O-CG1 3.4Å; I161-I165 PolarHBondContact O-N 3.21Å; I161-M190 HydrophobicContact CB-CE 3.77Å; I161-M190 HydrophobicContact CD1-CE 4.05Å; I161-M190 HydrophobicContact CD1-SD 4.2Å; I161-M190 HydrophobicContact CG2-CE 3.54Å; I161-M190 HydrophobicContact CG2-SD 4.1Å
162M92.8Very high90.6Very high41 Ų4144.2 Ų44.220%0.20222%0.221CC..Hα-helixtrans-61.1-35.6177.8-72.2-66.617400112.3D158 I160 Y164 I165 K166 M190 Q193 V194D158-M162 WeakPolarHBondContact O-CB 3.36Å; D158-M162 WeakPolarHBondContact O-CG 3.34Å; D158-M162 PolarHBondContact O-N 3.36Å; I160-M162 PolarHBondContact O-N 3.02Å; M162-Y164 PolarHBondContact O-N 2.99Å; M162-I165 HydrophobicContact CE-CD1 4.44Å; M162-I165 PolarHBondContact O-N 2.95Å; M162-I165 HydrophobicContact SD-CD1 4.13Å; M162-I165 HydrophobicContact SD-CG1 4.08Å; M162-K166 WeakPolarHBondContact O-CB 3.34Å; M162-K166 PolarHBondContact O-N 2.85Å; M162-M190 HydrophobicContact CE-CB 4.32Å; M162-M190 HydrophobicContact CE-CE 4.09Å; M162-M190 HydrophobicContact CE-CG 4.45Å; M162-Q193 HydrophobicContact CE-CB 4.32Å; M162-V194 HydrophobicContact SD-CG1 3.76Å
163S90.2Very high91Very high43 Ų4341.6 Ų41.630%0.30121%0.207SC..Hα-helixtrans-60.3-26.8176.273.30000113.7Q118 E159 I160 I161Q118-S163 VanDerWaalsContact NE2-CB 3.34Å; Q118-S163 PolarHBondContact NE2-OG 3.22Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.11Å; E159-S163 PolarHBondContact O-OG 3.35Å; I160-S163 PolarHBondContact O-N 2.97Å; I160-S163 VanDerWaalsContact O-N 3.16Å; I160-S163 PolarHBondContact O-OG 3.28Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.27Å
164Y91.2Very high91.5Very high26 Ų2641.5 Ų41.510%0.10221%0.206CC..Hα-helixtrans-90.1-53.9171.5-72.6-102.1000112.3P62 V136 L138 I160 I161 M162 K166 S167 S170P62-Y164 HydrophobicContact CB-CE2 4.17Å; P62-Y164 WeakPolarHBondContact CB-OH 3.18Å; P62-Y164 HydrophobicContact CG-CE2 3.86Å; V136-Y164 HydrophobicContact CG1-CD1 4.15Å; V136-Y164 HydrophobicContact CG1-CE1 3.97Å; L138-Y164 HydrophobicContact CD2-CD2 4.04Å; L138-Y164 HydrophobicContact CD2-CE2 4.19Å; L138-Y164 HydrophobicContact CD2-CG 4.25Å; I160-Y164 WeakPolarHBondContact O-CD2 3.39Å; I160-Y164 PolarHBondContact O-N 2.91Å; I161-Y164 PolarHBondContact O-N 3.11Å; I161-Y164 VanDerWaalsContact O-N 3.09Å; M162-Y164 PolarHBondContact O-N 2.99Å; Y164-K166 PolarHBondContact O-N 3.21Å; Y164-S167 WeakPolarHBondContact O-CB 3.36Å; Y164-S167 PolarHBondContact O-N 3.19Å; Y164-S170 PolarHBondContact O-OG 3.37Å
165I92.6Very high91.8Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-76.9-20.1-169.969.1171.1000115.4V29 V31 I161 M162 S167 S170 I172 M190 V194 R200V29-I165 HydrophobicContact CB-CG2 4.32Å; V29-I165 HydrophobicContact CG1-CG2 3.91Å; V31-I165 HydrophobicContact CG2-CG2 3.7Å; I161-I165 HydrophobicContact CG2-CD1 3.91Å; I161-I165 HydrophobicContact CG2-CG1 4.19Å; I161-I165 HydrophobicContact CG2-CG2 4.35Å; I161-I165 WeakPolarHBondContact O-CG1 3.4Å; I161-I165 PolarHBondContact O-N 3.21Å; M162-I165 HydrophobicContact CE-CD1 4.44Å; M162-I165 PolarHBondContact O-N 2.95Å; M162-I165 HydrophobicContact SD-CD1 4.13Å; M162-I165 HydrophobicContact SD-CG1 4.08Å; I165-S167 PolarHBondContact O-N 3.25Å; I165-S170 WeakPolarHBondContact CA-OG 3.23Å; I165-S170 PolarHBondContact O-OG 3.13Å; I165-I172 HydrophobicContact CB-CD1 3.96Å; I165-I172 HydrophobicContact CB-CG1 4.14Å; I165-I172 HydrophobicContact CD1-CD1 4.48Å; I165-I172 HydrophobicContact CG2-CD1 4.39Å; I165-I172 HydrophobicContact CG2-CG1 4.15Å; I165-I172 HydrophobicContact CG2-CG2 4.45Å; I165-M190 HydrophobicContact CD1-CB 4.09Å; I165-V194 HydrophobicContact CB-CG2 4.19Å; I165-V194 HydrophobicContact CD1-CG2 3.85Å; I165-V194 HydrophobicContact CG1-CG1 4.36Å; I165-V194 HydrophobicContact CG1-CG2 3.91Å; I165-R200 PolarHBondContact O-NH1 3.29Å; I165-R200 PolarHBondContact O-NH2 3.31Å
166K91.9Very high91.9Very high157 Ų15732.5 Ų32.568%0.68316%0.161SC*.THydrogen-bonded Turntrans-65.5-16.8173-175.6175.9175.8-179.50112.4M162 Y164 D168 V194M162-K166 WeakPolarHBondContact O-CB 3.34Å; M162-K166 PolarHBondContact O-N 2.85Å; Y164-K166 PolarHBondContact O-N 3.21Å; K166-D168 PolarHBondContact O-N 3.25Å; K166-V194 HydrophobicContact CB-CG1 4.34Å
167S87.6Confident92.1Very high5 Ų529 Ų294%0.03515%0.146CC..  trans-70.4123.7171.1-168.80000110.7Q24 Y164 I165 S169 S170 R200Q24-S167 WeakPolarHBondContact CB-OG 3.43Å; Q24-S167 VanDerWaalsContact CD-OG 3.29Å; Q24-S167 PolarHBondContact OE1-OG 3.31Å; Y164-S167 WeakPolarHBondContact O-CB 3.36Å; Y164-S167 PolarHBondContact O-N 3.19Å; I165-S167 PolarHBondContact O-N 3.25Å; S167-S169 PolarHBondContact O-N 3.49Å; S167-S169 PolarHBondContact OG-N 3.28Å; S167-S170 WeakPolarHBondContact O-CB 3.29Å; S167-S170 PolarHBondContact O-N 3.22Å; S167-S170 PolarHBondContact O-OG 3.07Å; S167-R200 VanDerWaalsContact O-CZ 3.25Å; S167-R200 PolarHBondContact O-NH1 2.97Å; S167-R200 PolarHBondContact O-NH2 3.24Å
168D88.3Confident92.1Very high111 Ų11129.5 Ų29.559%0.59415%0.15SC*.THydrogen-bonded Turntrans-67.4-13.1169-61.9-43.2000112.7K166 S170 R200K166-D168 PolarHBondContact O-N 3.25Å; D168-S170 PolarHBondContact O-N 3.44Å; D168-R200 IonicContact OD1-CZ 3Å; D168-R200 IonicContact OD1-NE 3.56Å; D168-R200 PolarHBondContact OD1-NE 2.84Å; D168-R200 IonicContact OD1-NH2 2.71Å; D168-R200 PolarHBondContact OD1-NH2 3.35Å
169S87.1Confident91.9Very high16 Ų1630.7 Ų30.711%0.11216%0.157CC..THydrogen-bonded Turntrans-80.88.6166-59.40000113.8P26 Q27 S167 H287P26-S169 VanDerWaalsContact CA-O 3.29Å; P26-S169 WeakPolarHBondContact CA-O 3.42Å; Q27-S169 PolarHBondContact N-O 3.31Å; S167-S169 PolarHBondContact O-N 3.49Å; S167-S169 PolarHBondContact OG-N 3.28Å; S169-H287 PolarHBondContact O-CE1 3.35Å
170S91.7Very high91.6Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-106.7127.7173.168.20000113Y164 I165 S167 D168 R200Y164-S170 PolarHBondContact O-OG 3.37Å; I165-S170 WeakPolarHBondContact CA-OG 3.23Å; I165-S170 PolarHBondContact O-OG 3.13Å; S167-S170 WeakPolarHBondContact O-CB 3.29Å; S167-S170 PolarHBondContact O-N 3.22Å; S167-S170 PolarHBondContact O-OG 3.07Å; D168-S170 PolarHBondContact O-N 3.44Å; S170-R200 WeakPolarHBondContact O-CD 3.45Å; S170-R200 PolarHBondContact O-NH1 2.87Å; S170-R200 PolarHBondContact OG-NH1 2.98Å; S170-R200 VanDerWaalsContact OG-NH1 3.08Å
171I95.1Very high91.3Very high4 Ų433.8 Ų33.82%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-81.3125.6163.7-60.8172.1000107.2Q27 I28 V29 R200 L230 L283 H287Q27-I171 PolarHBondContact O-N 3.32Å; I28-I171 WeakPolarHBondContact CA-O 3.37Å; I28-I171 HydrophobicContact CG1-CB 3.9Å; I28-I171 HydrophobicContact CG1-CD1 3.96Å; I28-I171 HydrophobicContact CG1-CG1 4.47Å; I28-I171 HydrophobicContact CG1-CG2 4.17Å; V29-I171 PolarHBondContact N-O 3.26Å; I171-R200 CarbonylContact C-O 3.59Å; I171-R200 WeakPolarHBondContact CA-O 3.25Å; I171-L230 HydrophobicContact CG2-CD1 4.03Å; I171-L283 HydrophobicContact CD1-CB 4.18Å; I171-H287 HydrophobicContact CD1-CB 3.77Å; I171-H287 HydrophobicContact CG1-CB 4.29Å
172I96.1Very high90.9Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-91.3118.9-179.7-52.3177.6000108.9V31 I165 A191 V194 D195 R200 T201 L202V31-I172 HydrophobicContact CG2-CG2 4.25Å; I165-I172 HydrophobicContact CB-CD1 3.96Å; I165-I172 HydrophobicContact CB-CG1 4.14Å; I165-I172 HydrophobicContact CD1-CD1 4.48Å; I165-I172 HydrophobicContact CG2-CD1 4.39Å; I165-I172 HydrophobicContact CG2-CG1 4.15Å; I165-I172 HydrophobicContact CG2-CG2 4.45Å; I172-A191 HydrophobicContact CD1-CB 4.11Å; I172-A191 HydrophobicContact CG2-CB 3.96Å; I172-V194 HydrophobicContact CD1-CG2 3.52Å; I172-D195 HydrophobicContact CD1-CB 4.41Å; I172-R200 PolarHBondContact N-O 3.08Å; I172-T201 HydrophobicContact CB-CG2 4.46Å; I172-T201 WeakPolarHBondContact O-CA 3.36Å; I172-L202 PolarHBondContact O-N 3.13Å
173L96.2Very high90.5Very high3 Ų335.3 Ų35.32%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-98.690.3173.9-173.863.2000108.8I28 V29 A30 V31 I175 L202 V204 L280I28-L173 HydrophobicContact CG2-CB 3.85Å; I28-L173 HydrophobicContact CG2-CD2 4.11Å; V29-L173 WeakPolarHBondContact O-CB 3.43Å; V29-L173 PolarHBondContact O-N 3.33Å; A30-L173 HydrophobicContact CB-CD2 4.48Å; V31-L173 PolarHBondContact N-O 2.99Å; L173-I175 HydrophobicContact CD2-CD1 4.32Å; L173-I175 HydrophobicContact CG-CD1 4.27Å; L173-I175 HydrophobicContact CG-CG1 4.22Å; L173-I175 PolarHBondContact O-N 3.13Å; L173-L202 CarbonylContact C-O 3.6Å; L173-L202 WeakPolarHBondContact CA-O 3.43Å; L173-L202 HydrophobicContact CD1-CB 4.31Å; L173-L202 HydrophobicContact CD1-CD2 3.84Å; L173-L202 HydrophobicContact CD1-CG 4.27Å; L173-V204 HydrophobicContact CD1-CB 4.48Å; L173-V204 HydrophobicContact CD1-CG2 3.5Å; L173-V204 VanDerWaalsContact CD1-CG2 3.5Å; L173-V204 HydrophobicContact CG-CG2 4.36Å; L173-L280 HydrophobicContact CD1-CD2 3.91Å; L173-L280 HydrophobicContact CD2-CD1 4.29Å; L173-L280 HydrophobicContact CD2-CD2 4.38Å
174A95.2Very high90.3Very high0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-8495.9-173.400000111.2L188 T201 L202 A203 V204A174-L188 HydrophobicContact CB-CD2 3.64Å; A174-L188 HydrophobicContact CB-CG 4.34Å; A174-T201 HydrophobicContact CB-CG2 4.14Å; A174-L202 PolarHBondContact N-O 2.68Å; A174-A203 WeakPolarHBondContact O-CA 3.48Å; A174-V204 PolarHBondContact O-N 3.34Å
175I95Very high90.2Very high1 Ų137.1 Ų37.11%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-89.3122.1-175.3-63.8156.4000109.7A30 V31 G32 K38 I41 L173 S187 V204 T206A30-I175 HydrophobicContact CB-CD1 3.9Å; V31-I175 PolarHBondContact O-N 3.44Å; G32-I175 WeakPolarHBondContact CA-O 3.45Å; K38-I175 HydrophobicContact CB-CD1 4.1Å; K38-I175 HydrophobicContact CD-CD1 3.94Å; K38-I175 HydrophobicContact CG-CB 4.26Å; K38-I175 HydrophobicContact CG-CD1 3.82Å; K38-I175 HydrophobicContact CG-CG2 4.21Å; I41-I175 HydrophobicContact CD1-CB 4.35Å; I41-I175 HydrophobicContact CD1-CD1 3.82Å; I41-I175 HydrophobicContact CD1-CG1 3.8Å; I41-I175 HydrophobicContact CD1-CG2 3.56Å; L173-I175 HydrophobicContact CD2-CD1 4.32Å; L173-I175 HydrophobicContact CG-CD1 4.27Å; L173-I175 HydrophobicContact CG-CG1 4.22Å; L173-I175 PolarHBondContact O-N 3.13Å; I175-S187 PolarHBondContact O-OG 3.12Å; I175-S187 VanDerWaalsContact O-OG 3.09Å; I175-V204 WeakPolarHBondContact CA-O 3.28Å; I175-V204 HydrophobicContact CG1-CB 4.15Å; I175-T206 HydrophobicContact CG2-CG2 4.01Å
176T92.8Very high90.1Very high3 Ų338.6 Ų38.62%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-130.9151.4-178-53.60000109.5F182 S185 V204 V205 T206T176-F182 HydrophobicContact CG2-CD2 3.79Å; T176-F182 HydrophobicContact CG2-CE2 4.23Å; T176-S185 WeakPolarHBondContact CG2-OG 3.46Å; T176-S185 PolarHBondContact OG1-OG 2.98Å; T176-V204 PolarHBondContact N-O 3.34Å; T176-V205 WeakPolarHBondContact O-CA 3.28Å; T176-T206 PolarHBondContact O-N 2.75Å; T176-T206 PolarHBondContact O-OG1 3.31Å
177A92.6Very high90.1Very high1 Ų131.1 Ų31.11%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-94.5135.8174.400000111.1N179 Q180 K207A177-N179 WeakPolarHBondContact CB-OD1 3.28Å; A177-N179 PolarHBondContact O-N 3.41Å; A177-Q180 HydrophobicContact CB-CG 4.42Å; A177-Q180 PolarHBondContact O-N 2.91Å; A177-K207 HydrophobicContact CB-CD 4.05Å
178A89.9Confident90.3Very high12 Ų1231.6 Ų31.610%0.09918%0.183CC..THydrogen-bonded Turntrans-67.3-20.5-177.700000114Q180 V205 T206 L208 M211A178-Q180 PolarHBondContact O-N 3.39Å; A178-V205 HydrophobicContact CB-CG1 3.68Å; A178-T206 VanDerWaalsContact CB-O 3.26Å; A178-T206 WeakPolarHBondContact CB-O 3.41Å; A178-T206 PolarHBondContact N-O 3.03Å; A178-L208 HydrophobicContact CB-CD2 3.88Å; A178-L208 HydrophobicContact CB-CG 4.5Å; A178-M211 HydrophobicContact CB-CG 3.74Å; A178-M211 HydrophobicContact CB-SD 3.71Å
179N88.2Confident90.5Very high82 Ų8232.3 Ų32.344%0.43918%0.18SC..THydrogen-bonded Turntrans-87.620.2176.280.7-46.4000113.2A177 L210A177-N179 WeakPolarHBondContact CB-OD1 3.28Å; A177-N179 PolarHBondContact O-N 3.41Å; N179-L210 VanDerWaalsContact CB-O 3.24Å; N179-L210 WeakPolarHBondContact CB-O 3.25Å
180Q85.3Confident90.7Very high108 Ų10832 Ų3251%0.50518%0.177SC..SBendtrans-132.6150.6173.9-63.1-178.8-36.200108.3A177 A178 F182A177-Q180 HydrophobicContact CB-CG 4.42Å; A177-Q180 PolarHBondContact O-N 2.91Å; A178-Q180 PolarHBondContact O-N 3.39Å; Q180-F182 PolarHBondContact O-N 3.16Å; Q180-F182 VanDerWaalsContact O-N 3.1Å
181D84.7Confident90.7Very high95 Ų9532.1 Ų32.151%0.50818%0.178SC..  trans-63.5116.3175.2176.211000110.1A183 T184D181-A183 PolarHBondContact O-N 2.96Å; D181-A183 WeakPolarHBondContact OD1-CB 3.43Å; D181-A183 PolarHBondContact OD1-N 3.37Å; D181-T184 HydrophobicContact CB-CG2 4.02Å; D181-T184 PolarHBondContact O-N 3.13Å; D181-T184 PolarHBondContact O-OG1 3.26Å
182F84.6Confident90.6Very high6 Ų640.1 Ų40.13%0.02621%0.208CC..G310 helixtrans-55.9-32.2-179.6-161-117.5000112.6T176 Q180 T184 S185 L188 A203 V205 L220 V225 V226 I232T176-F182 HydrophobicContact CG2-CD2 3.79Å; T176-F182 HydrophobicContact CG2-CE2 4.23Å; Q180-F182 PolarHBondContact O-N 3.16Å; Q180-F182 VanDerWaalsContact O-N 3.1Å; F182-T184 PolarHBondContact O-N 3.39Å; F182-S185 WeakPolarHBondContact O-CB 3.4Å; F182-S185 PolarHBondContact O-N 3.08Å; F182-L188 HydrophobicContact CD1-CD1 4.09Å; F182-L188 HydrophobicContact CD2-CD1 4.2Å; F182-L188 HydrophobicContact CE1-CD1 3.75Å; F182-L188 HydrophobicContact CE2-CD1 3.86Å; F182-L188 HydrophobicContact CG-CD1 4.3Å; F182-L188 HydrophobicContact CZ-CD1 3.62Å; F182-A203 HydrophobicContact CZ-CB 3.98Å; F182-V205 HydrophobicContact CE2-CG2 3.85Å; F182-V205 HydrophobicContact CZ-CG2 4.41Å; F182-L220 HydrophobicContact CB-CD1 3.76Å; F182-L220 HydrophobicContact CB-CG 4.36Å; F182-L220 HydrophobicContact CD1-CD1 4.47Å; F182-L220 HydrophobicContact CD1-CG 4.16Å; F182-L220 HydrophobicContact CD2-CD1 4.07Å; F182-L220 HydrophobicContact CD2-CD2 4.2Å; F182-L220 HydrophobicContact CD2-CG 4.26Å; F182-L220 HydrophobicContact CE2-CD2 4.18Å; F182-L220 HydrophobicContact CG-CD1 3.88Å; F182-L220 HydrophobicContact CG-CD2 4.45Å; F182-L220 HydrophobicContact CG-CG 4.03Å; F182-L220 HydrophobicContact CZ-CD2 4.37Å; F182-V225 HydrophobicContact CB-CG1 4.43Å; F182-V225 HydrophobicContact CD1-CB 4.43Å; F182-V225 HydrophobicContact CD1-CG1 4.39Å; F182-V226 HydrophobicContact CD1-CB 3.93Å; F182-V226 HydrophobicContact CD1-CG2 4Å; F182-V226 HydrophobicContact CE1-CB 3.88Å; F182-V226 HydrophobicContact CE1-CG2 4.44Å; F182-I232 HydrophobicContact CE1-CD1 3.81Å; F182-I232 HydrophobicContact CZ-CD1 3.84Å; F182-I232 HydrophobicContact CZ-CG2 4.39Å
183A84.4Confident90.4Very high69 Ų6945.6 Ų45.657%0.5723%0.234SC*.G310 helixtrans-69.4-18.8176.200000113.4D181D181-A183 PolarHBondContact O-N 2.96Å; D181-A183 WeakPolarHBondContact OD1-CB 3.43Å; D181-A183 PolarHBondContact OD1-N 3.37Å
184T86.8Confident90.2Very high91 Ų9146.9 Ų46.956%0.55824%0.242SC*.G310 helixtrans-93.2-0.2177.768.20000114D181 F182 D186D181-T184 HydrophobicContact CB-CG2 4.02Å; D181-T184 PolarHBondContact O-N 3.13Å; D181-T184 PolarHBondContact O-OG1 3.26Å; F182-T184 PolarHBondContact O-N 3.39Å; T184-D186 PolarHBondContact O-N 3.19Å
185S88.3Confident90.2Very high15 Ų1547.4 Ų47.411%0.10525%0.245CC..  trans-65.1118.3-172.7-175.30000113.5T176 F182 S187 L188 K189T176-S185 WeakPolarHBondContact CG2-OG 3.46Å; T176-S185 PolarHBondContact OG1-OG 2.98Å; F182-S185 WeakPolarHBondContact O-CB 3.4Å; F182-S185 PolarHBondContact O-N 3.08Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 2.98Å; S185-S187 PolarHBondContact OG-OG 3.05Å; S185-S187 VanDerWaalsContact OG-OG 3.1Å; S185-L188 PolarHBondContact O-N 3.1Å; S185-K189 PolarHBondContact O-N 3.18Å
186D90.4Very high90Very high31 Ų3151.6 Ų51.617%0.16627%0.272CS..Hα-helixtrans-62.8-32.2178.6-67.4-57.9000112.7I141 K143 T184 K189 M190I141-D186 HydrophobicContact CD1-CB 4.14Å; I141-D186 HydrophobicContact CG2-CB 4.49Å; K143-D186 VanDerWaalsContact CE-OD1 3.3Å; K143-D186 WeakPolarHBondContact CE-OD1 3.46Å; K143-D186 WeakPolarHBondContact CE-OD2 3.48Å; K143-D186 IonicContact NZ-OD1 3.13Å; K143-D186 PolarHBondContact NZ-OD1 3.21Å; K143-D186 IonicContact NZ-OD2 3.98Å; K143-D186 PolarHBondContact NZ-OD2 2.88Å; T184-D186 PolarHBondContact O-N 3.19Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 3.03Å; D186-M190 VanDerWaalsContact O-CG 3.32Å; D186-M190 WeakPolarHBondContact O-CG 3.34Å; D186-M190 PolarHBondContact O-N 2.86Å
187S91.5Very high89.9Confident1 Ų157.8 Ų57.81%0.00730%0.301CS..Hα-helixtrans-69.3-37.9177.651.30000112.4V31 I175 S185 A191V31-S187 WeakPolarHBondContact O-CB 3.5Å; I175-S187 PolarHBondContact O-OG 3.12Å; I175-S187 VanDerWaalsContact O-OG 3.09Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 2.98Å; S185-S187 PolarHBondContact OG-OG 3.05Å; S185-S187 VanDerWaalsContact OG-OG 3.1Å; S187-A191 VanDerWaalsContact O-CB 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.34Å
188L91.8Very high89.8Confident15 Ų1558 Ų588%0.07930%0.303CS..Hα-helixtrans-70.4-36.5172-67.3174.9000111.8A174 F182 S185 A191 R192 A203 V228A174-L188 HydrophobicContact CB-CD2 3.64Å; A174-L188 HydrophobicContact CB-CG 4.34Å; F182-L188 HydrophobicContact CD1-CD1 4.09Å; F182-L188 HydrophobicContact CD2-CD1 4.2Å; F182-L188 HydrophobicContact CE1-CD1 3.75Å; F182-L188 HydrophobicContact CE2-CD1 3.86Å; F182-L188 HydrophobicContact CG-CD1 4.3Å; F182-L188 HydrophobicContact CZ-CD1 3.62Å; S185-L188 PolarHBondContact O-N 3.1Å; L188-A191 PolarHBondContact O-N 3.15Å; L188-R192 VanDerWaalsContact O-CB 3.31Å; L188-R192 WeakPolarHBondContact O-CB 3.26Å; L188-R192 PolarHBondContact O-N 3.29Å; L188-A203 HydrophobicContact CD2-CB 4.22Å; L188-V228 HydrophobicContact CD2-CG1 4.33Å
189K92.2Very high89.9Confident126 Ų12662.7 Ų62.755%0.54832%0.323SS..Hα-helixtrans-60.3-46.3173.6-179.4-168170.4-159.40111.6S185 D186 Q193S185-K189 PolarHBondContact O-N 3.18Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 3.03Å; K189-Q193 WeakPolarHBondContact O-CG 3.37Å; K189-Q193 PolarHBondContact O-N 2.67Å
190M91.3Very high90.2Very high8 Ų859.9 Ų59.94%0.03931%0.306CS..Hα-helixtrans-67.4-44.2176.2-68.3-179.493.100111.8V31 I141 D158 I161 M162 I165 D186 R192 Q193V31-M190 HydrophobicContact CG1-SD 4.38Å; I141-M190 HydrophobicContact CD1-SD 3.54Å; I141-M190 VanDerWaalsContact CD1-SD 3.54Å; I141-M190 HydrophobicContact CG1-SD 4.1Å; D158-M190 HydrophobicContact CB-CE 4.28Å; D158-M190 WeakPolarHBondContact OD1-CE 3.22Å; I161-M190 HydrophobicContact CB-CE 3.77Å; I161-M190 HydrophobicContact CD1-CE 4.05Å; I161-M190 HydrophobicContact CD1-SD 4.2Å; I161-M190 HydrophobicContact CG2-CE 3.54Å; I161-M190 HydrophobicContact CG2-SD 4.1Å; M162-M190 HydrophobicContact CE-CB 4.32Å; M162-M190 HydrophobicContact CE-CE 4.09Å; M162-M190 HydrophobicContact CE-CG 4.45Å; I165-M190 HydrophobicContact CD1-CB 4.09Å; D186-M190 VanDerWaalsContact O-CG 3.32Å; D186-M190 WeakPolarHBondContact O-CG 3.34Å; D186-M190 PolarHBondContact O-N 2.86Å; M190-R192 VanDerWaalsContact C-N 3.3Å; M190-R192 PolarHBondContact O-N 2.91Å; M190-Q193 WeakPolarHBondContact O-CB 3.47Å; M190-Q193 PolarHBondContact O-N 2.82Å; M190-Q193 VanDerWaalsContact O-N 3.12Å
191A92.7Very high90.7Very high3 Ų354.9 Ų54.93%0.02528%0.283CS..Hα-helixtrans-54.9-48175.400000111I172 S187 L188 Q193 V194 D195 T201I172-A191 HydrophobicContact CD1-CB 4.11Å; I172-A191 HydrophobicContact CG2-CB 3.96Å; S187-A191 VanDerWaalsContact O-CB 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.34Å; L188-A191 PolarHBondContact O-N 3.15Å; A191-Q193 PolarHBondContact O-N 3.17Å; A191-Q193 VanDerWaalsContact O-N 3.14Å; A191-V194 VanDerWaalsContact O-CG2 3.31Å; A191-V194 WeakPolarHBondContact O-CG2 3.49Å; A191-V194 PolarHBondContact O-N 3.48Å; A191-D195 PolarHBondContact O-N 3.5Å; A191-T201 HydrophobicContact CB-CG2 3.88Å
192R91.8Very high91.2Very high173 Ų17350.3 Ų50.365%0.65326%0.259SS*.Hα-helixtrans-67.6-12.7-179-159.1171.8-170.3172.73.4115L188 M190 P196L188-R192 VanDerWaalsContact O-CB 3.31Å; L188-R192 WeakPolarHBondContact O-CB 3.26Å; L188-R192 PolarHBondContact O-N 3.29Å; M190-R192 VanDerWaalsContact C-N 3.3Å; M190-R192 PolarHBondContact O-N 2.91Å; R192-P196 WeakPolarHBondContact O-CA 3.36Å
193Q92.6Very high91.7Very high115 Ų11550 Ų5054%0.53726%0.257SS..Hα-helixtrans-79.9-24.8172-72.4173.8-6.300112.9M162 K189 M190 A191M162-Q193 HydrophobicContact CE-CB 4.32Å; K189-Q193 WeakPolarHBondContact O-CG 3.37Å; K189-Q193 PolarHBondContact O-N 2.67Å; M190-Q193 WeakPolarHBondContact O-CB 3.47Å; M190-Q193 PolarHBondContact O-N 2.82Å; M190-Q193 VanDerWaalsContact O-N 3.12Å; A191-Q193 PolarHBondContact O-N 3.17Å; A191-Q193 VanDerWaalsContact O-N 3.14Å
194V93Very high92.2Very high30 Ų3046.8 Ų46.818%0.18223%0.23CC..Hα-helixtrans-112.8-21.9-179.5-63.60000113.5M162 I165 K166 I172 A191M162-V194 HydrophobicContact SD-CG1 3.76Å; I165-V194 HydrophobicContact CB-CG2 4.19Å; I165-V194 HydrophobicContact CD1-CG2 3.85Å; I165-V194 HydrophobicContact CG1-CG1 4.36Å; I165-V194 HydrophobicContact CG1-CG2 3.91Å; K166-V194 HydrophobicContact CB-CG1 4.34Å; I172-V194 HydrophobicContact CD1-CG2 3.52Å; A191-V194 VanDerWaalsContact O-CG2 3.31Å; A191-V194 WeakPolarHBondContact O-CG2 3.49Å; A191-V194 PolarHBondContact O-N 3.48Å
195D94Very high92.6Very high11 Ų1142.4 Ų42.46%0.05920%0.204CC..  trans-132.976.9175.6177.214.4000108.9I172 A191 E197 G198 E199 R200 T201I172-D195 HydrophobicContact CD1-CB 4.41Å; A191-D195 PolarHBondContact O-N 3.5Å; D195-E197 PolarHBondContact O-N 3.16Å; D195-G198 VanDerWaalsContact CG-CA 3.48Å; D195-G198 PolarHBondContact O-N 3.42Å; D195-G198 WeakPolarHBondContact OD1-CA 3.36Å; D195-G198 PolarHBondContact OD1-N 2.96Å; D195-G198 VanDerWaalsContact OD2-CA 3.23Å; D195-G198 WeakPolarHBondContact OD2-CA 3.48Å; D195-E199 PolarHBondContact OD1-N 3.5Å; D195-E199 PolarHBondContact OD2-N 2.97Å; D195-E199 VanDerWaalsContact OD2-N 3.12Å; D195-R200 HydrophobicContact CB-CG 4.15Å; D195-R200 WeakPolarHBondContact OD2-CG 3.38Å; D195-R200 PolarHBondContact OD2-N 3.41Å; D195-T201 WeakPolarHBondContact OD2-CB 3.39Å; D195-T201 PolarHBondContact OD2-N 3.44Å; D195-T201 VanDerWaalsContact OD2-N 3.13Å; D195-T201 PolarHBondContact OD2-OG1 2.93Å
196P91.7Very high92.8Very high89 Ų8941.8 Ų41.858%0.57820%0.199SC*.THydrogen-bonded Turntrans-65.4-20.7-173.7-23.135.5000114.5R192R192-P196 WeakPolarHBondContact O-CA 3.36Å
197E90.4Very high92.9Very high133 Ų13343.1 Ų43.162%0.62120%0.203SC*.THydrogen-bonded Turntrans-95.5-16.5178.8-69.2-158.9-148.200113.8D195 E199 K229D195-E197 PolarHBondContact O-N 3.16Å; E197-E199 HydrophobicContact CB-CG 4.26Å; E197-K229 VanDerWaalsContact O-CE 3.24Å; E197-K229 WeakPolarHBondContact O-CE 3.45Å; E197-K229 IonicContact OE2-NZ 3.21Å; E197-K229 PolarHBondContact OE2-NZ 3.4Å
198G91Very high92.8Very high6 Ų643.4 Ų43.46%0.06221%0.205CC..  trans75.525.1-177.600000114.2D195 K229D195-G198 VanDerWaalsContact CG-CA 3.48Å; D195-G198 PolarHBondContact O-N 3.42Å; D195-G198 WeakPolarHBondContact OD1-CA 3.36Å; D195-G198 PolarHBondContact OD1-N 2.96Å; D195-G198 VanDerWaalsContact OD2-CA 3.23Å; D195-G198 WeakPolarHBondContact OD2-CA 3.48Å; G198-K229 VanDerWaalsContact O-CB 3.31Å; G198-K229 WeakPolarHBondContact O-CB 3.37Å; G198-K229 PolarHBondContact O-N 2.83Å
199E92.1Very high92.7Very high110 Ų11045.5 Ų45.551%0.51422%0.216SC..SBendtrans-65.9-37.2-179.1-76.6-71.1-175.800113.2D195 E197 K229 L230D195-E199 PolarHBondContact OD1-N 3.5Å; D195-E199 PolarHBondContact OD2-N 2.97Å; D195-E199 VanDerWaalsContact OD2-N 3.12Å; E197-E199 HydrophobicContact CB-CG 4.26Å; E199-K229 VanDerWaalsContact CD-NZ 3.29Å; E199-K229 HydrophobicContact CG-CD 3.82Å; E199-K229 WeakPolarHBondContact OE1-CD 3.45Å; E199-K229 IonicContact OE1-NZ 2.66Å; E199-K229 PolarHBondContact OE1-NZ 3.47Å; E199-K229 VanDerWaalsContact OE2-CD 3.25Å; E199-K229 WeakPolarHBondContact OE2-CD 3.05Å; E199-L230 VanDerWaalsContact O-CD2 3.26Å; E199-L230 WeakPolarHBondContact O-CD2 3.34Å; E199-L230 WeakPolarHBondContact O-CG 3.23Å
200R94Very high92.6Very high22 Ų2244.3 Ų44.38%0.08322%0.215CC..SBendtrans-113.315.7-177.461.9-172.5178.982.2-6.4112.8I165 S167 D168 S170 I171 I172 D195I165-R200 PolarHBondContact O-NH1 3.29Å; I165-R200 PolarHBondContact O-NH2 3.31Å; S167-R200 VanDerWaalsContact O-CZ 3.25Å; S167-R200 PolarHBondContact O-NH1 2.97Å; S167-R200 PolarHBondContact O-NH2 3.24Å; D168-R200 IonicContact OD1-CZ 3Å; D168-R200 IonicContact OD1-NE 3.56Å; D168-R200 PolarHBondContact OD1-NE 2.84Å; D168-R200 IonicContact OD1-NH2 2.71Å; D168-R200 PolarHBondContact OD1-NH2 3.35Å; S170-R200 WeakPolarHBondContact O-CD 3.45Å; S170-R200 PolarHBondContact O-NH1 2.87Å; S170-R200 PolarHBondContact OG-NH1 2.98Å; S170-R200 VanDerWaalsContact OG-NH1 3.08Å; I171-R200 CarbonylContact C-O 3.59Å; I171-R200 WeakPolarHBondContact CA-O 3.25Å; I172-R200 PolarHBondContact N-O 3.08Å; D195-R200 HydrophobicContact CB-CG 4.15Å; D195-R200 WeakPolarHBondContact OD2-CG 3.38Å; D195-R200 PolarHBondContact OD2-N 3.41Å
201T95.3Very high92.4Very high3 Ų345.6 Ų45.62%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-108.2120.7-178.3-59.30000111.4I172 A174 A191 D195 V228 L230I172-T201 HydrophobicContact CB-CG2 4.46Å; I172-T201 WeakPolarHBondContact O-CA 3.36Å; A174-T201 HydrophobicContact CB-CG2 4.14Å; A191-T201 HydrophobicContact CB-CG2 3.88Å; D195-T201 WeakPolarHBondContact OD2-CB 3.39Å; D195-T201 PolarHBondContact OD2-N 3.44Å; D195-T201 VanDerWaalsContact OD2-N 3.13Å; D195-T201 PolarHBondContact OD2-OG1 2.93Å; T201-V228 HydrophobicContact CG2-CG1 4.11Å; T201-L230 WeakPolarHBondContact O-CB 3.45Å
202L95.7Very high92.1Very high0 Ų051.9 Ų51.90%026%0.255CS..EExtended strand (participates in β ladder)trans-107.9125.2169.5-176.775.2000108.5I172 L173 A174 L230 G231 V233 L276 T279 L280 L283I172-L202 PolarHBondContact O-N 3.13Å; L173-L202 CarbonylContact C-O 3.6Å; L173-L202 WeakPolarHBondContact CA-O 3.43Å; L173-L202 HydrophobicContact CD1-CB 4.31Å; L173-L202 HydrophobicContact CD1-CD2 3.84Å; L173-L202 HydrophobicContact CD1-CG 4.27Å; A174-L202 PolarHBondContact N-O 2.68Å; L202-L230 HydrophobicContact CB-CB 4.01Å; L202-L230 HydrophobicContact CB-CD1 4.2Å; L202-L230 HydrophobicContact CD1-CB 3.83Å; L202-L230 WeakPolarHBondContact CD1-O 3.41Å; L202-G231 WeakPolarHBondContact CD1-O 3.42Å; L202-V233 HydrophobicContact CD1-CG2 4.43Å; L202-L276 HydrophobicContact CD2-CD1 3.97Å; L202-T279 HydrophobicContact CD2-CG2 4.5Å; L202-L280 HydrophobicContact CD2-CD2 3.61Å; L202-L280 HydrophobicContact CD2-CG 4.48Å; L202-L283 HydrophobicContact CD1-CD1 4.32Å; L202-L283 HydrophobicContact CD2-CD1 4.07Å
203A95Very high91.6Very high0 Ų055.2 Ų55.20%027%0.269CS..EExtended strand (participates in β ladder)trans-92.1139.8175.900000111.3A174 F182 L188 V228 G231 I232 V233A174-A203 WeakPolarHBondContact O-CA 3.48Å; F182-A203 HydrophobicContact CZ-CB 3.98Å; L188-A203 HydrophobicContact CD2-CB 4.22Å; A203-V228 HydrophobicContact CB-CG2 3.99Å; A203-G231 PolarHBondContact N-O 2.57Å; A203-I232 HydrophobicContact CB-CB 4.49Å; A203-I232 HydrophobicContact CB-CD1 4.48Å; A203-I232 HydrophobicContact CB-CG1 4.08Å; A203-I232 HydrophobicContact CB-CG2 4.22Å; A203-I232 WeakPolarHBondContact O-CA 3.15Å; A203-V233 PolarHBondContact O-N 3.46Å
204V95.3Very high91.1Very high0 Ų053.3 Ų53.30%028%0.281CS..EExtended strand (participates in β ladder)trans-122.8133173.3173.20000110I41 L173 A174 I175 T176 V233 V235 L276I41-V204 HydrophobicContact CD1-CG1 3.81Å; L173-V204 HydrophobicContact CD1-CB 4.48Å; L173-V204 HydrophobicContact CD1-CG2 3.5Å; L173-V204 VanDerWaalsContact CD1-CG2 3.5Å; L173-V204 HydrophobicContact CG-CG2 4.36Å; A174-V204 PolarHBondContact O-N 3.34Å; I175-V204 WeakPolarHBondContact CA-O 3.28Å; I175-V204 HydrophobicContact CG1-CB 4.15Å; T176-V204 PolarHBondContact N-O 3.34Å; V204-V233 WeakPolarHBondContact CA-O 3.29Å; V204-V235 HydrophobicContact CG1-CG1 4.32Å; V204-V235 HydrophobicContact CG1-CG2 3.65Å; V204-L276 HydrophobicContact CG1-CD2 4.13Å; V204-L276 HydrophobicContact CG2-CD1 3.61Å; V204-L276 HydrophobicContact CG2-CD2 3.93Å; V204-L276 HydrophobicContact CG2-CG 4.46Å
205V94.1Very high90.6Very high0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-116.1105.3-169.3178.20000108.6T176 A178 F182 L208 L220 L221 I232 V233 G234 V235T176-V205 WeakPolarHBondContact O-CA 3.28Å; A178-V205 HydrophobicContact CB-CG1 3.68Å; F182-V205 HydrophobicContact CE2-CG2 3.85Å; F182-V205 HydrophobicContact CZ-CG2 4.41Å; V205-L208 HydrophobicContact CG1-CD2 3.87Å; V205-L208 HydrophobicContact CG1-CG 4.5Å; V205-L220 HydrophobicContact CB-CD2 4.34Å; V205-L220 HydrophobicContact CG1-CD2 3.97Å; V205-L220 HydrophobicContact CG2-CD2 3.52Å; V205-L221 HydrophobicContact CB-CD2 4.38Å; V205-L221 HydrophobicContact CG2-CD2 4.49Å; V205-I232 HydrophobicContact CG2-CG2 3.49Å; V205-I232 VanDerWaalsContact CG2-CG2 3.49Å; V205-V233 PolarHBondContact N-O 2.66Å; V205-G234 WeakPolarHBondContact O-CA 3.34Å; V205-V235 PolarHBondContact O-N 3.27Å
206T93.4Very high90.2Very high2 Ų259.9 Ų59.91%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-91.5166.3179.965.20000111.8S36 I41 I175 T176 A178 L208 V235S36-T206 WeakPolarHBondContact O-CG2 3.16Å; S36-T206 PolarHBondContact O-OG1 2.87Å; I41-T206 HydrophobicContact CD1-CG2 3.55Å; I41-T206 HydrophobicContact CG1-CG2 4Å; I175-T206 HydrophobicContact CG2-CG2 4.01Å; T176-T206 PolarHBondContact O-N 2.75Å; T176-T206 PolarHBondContact O-OG1 3.31Å; A178-T206 VanDerWaalsContact CB-O 3.26Å; A178-T206 WeakPolarHBondContact CB-O 3.41Å; A178-T206 PolarHBondContact N-O 3.03Å; T206-L208 VanDerWaalsContact C-N 3.34Å; T206-L208 PolarHBondContact O-N 3.26Å; T206-V235 HydrophobicContact CG2-CG2 3.93Å
207K91.9Very high90Very high58 Ų5855.7 Ų55.725%0.25229%0.291SS..  trans62.833.9170-49.1179.1-163.4170.60114.6S35 A177 D209 L210S35-K207 WeakPolarHBondContact O-CE 3.41Å; S35-K207 PolarHBondContact O-NZ 3.12Å; A177-K207 HydrophobicContact CB-CD 4.05Å; K207-D209 VanDerWaalsContact C-OD1 3.32Å; K207-D209 VanDerWaalsContact CA-OD1 3.23Å; K207-D209 WeakPolarHBondContact CA-OD1 3.45Å; K207-D209 PolarHBondContact O-N 2.93Å; K207-L210 HydrophobicContact CB-CB 4.25Å; K207-L210 HydrophobicContact CB-CD1 4.3Å; K207-L210 HydrophobicContact CB-CG 4.43Å; K207-L210 HydrophobicContact CD-CD1 4.28Å; K207-L210 HydrophobicContact CG-CD1 4.4Å; K207-L210 PolarHBondContact O-N 3.5Å
208L89.9Confident89.9Confident7 Ų750.8 Ų50.84%0.03727%0.27CS..G310 helixtrans-56.9-25.6172.1-67.4171.7000112.4A178 V205 T206 L210 M211 A217 V236 F259 L260A178-L208 HydrophobicContact CB-CD2 3.88Å; A178-L208 HydrophobicContact CB-CG 4.5Å; V205-L208 HydrophobicContact CG1-CD2 3.87Å; V205-L208 HydrophobicContact CG1-CG 4.5Å; T206-L208 VanDerWaalsContact C-N 3.34Å; T206-L208 PolarHBondContact O-N 3.26Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-M211 HydrophobicContact CD2-SD 3.94Å; L208-A217 HydrophobicContact CD2-CB 3.63Å; L208-V236 HydrophobicContact CB-CG2 4.25Å; L208-F259 HydrophobicContact CB-CE1 3.83Å; L208-F259 HydrophobicContact CB-CZ 4.08Å; L208-F259 WeakPolarHBondContact O-CZ 3.34Å; L208-L260 HydrophobicContact CD1-CD2 4.36Å
209D89.9Confident89.7Confident60 Ų6054.3 Ų54.332%0.32129%0.287SS..G310 helixtrans-73.8-15.917559.1-60.7000114.6K207 V236 F259K207-D209 VanDerWaalsContact C-OD1 3.32Å; K207-D209 VanDerWaalsContact CA-OD1 3.23Å; K207-D209 WeakPolarHBondContact CA-OD1 3.45Å; K207-D209 PolarHBondContact O-N 2.93Å; D209-V236 HydrophobicContact CB-CG1 4.22Å; D209-F259 HydrophobicContact CB-CD2 4.35Å; D209-F259 HydrophobicContact CB-CE2 3.81Å; D209-F259 HydrophobicContact CB-CZ 4.24Å
210L88.9Confident89.6Confident101 Ų10150 Ų5053%0.52927%0.268SS..G310 helixtrans-112.624.4-178.8-54.6179.2000112.8N179 K207 L208N179-L210 VanDerWaalsContact CB-O 3.24Å; N179-L210 WeakPolarHBondContact CB-O 3.25Å; K207-L210 HydrophobicContact CB-CB 4.25Å; K207-L210 HydrophobicContact CB-CD1 4.3Å; K207-L210 HydrophobicContact CB-CG 4.43Å; K207-L210 HydrophobicContact CD-CD1 4.28Å; K207-L210 HydrophobicContact CG-CD1 4.4Å; K207-L210 PolarHBondContact O-N 3.5Å; L208-L210 VanDerWaalsContact C-N 3.33Å
211M87.3Confident89.4Confident34 Ų3449.6 Ų49.617%0.16727%0.267CS..SBendtrans-79.3153.9172.7-65.2179.866.400111.5A178 L208 T215 A217A178-M211 HydrophobicContact CB-CG 3.74Å; A178-M211 HydrophobicContact CB-SD 3.71Å; L208-M211 HydrophobicContact CD2-SD 3.94Å; M211-T215 HydrophobicContact CE-CG2 3.6Å; M211-A217 HydrophobicContact CE-CB 3.95Å; M211-A217 HydrophobicContact SD-CB 3.86Å
212D86.6Confident89.1Confident136 Ų13654 Ų5473%0.72729%0.29SS*.PPolyproline II helixtrans-63.7143.9177.2-74.4-44.4000112G214 T215D212-G214 PolarHBondContact O-N 2.73Å; D212-G214 VanDerWaalsContact O-N 3.14Å; D212-T215 WeakPolarHBondContact O-CB 3.39Å; D212-T215 PolarHBondContact O-N 2.97Å; D212-T215 PolarHBondContact O-OG1 3.38Å
213Y81.9Confident88.7Confident242 Ų24254.8 Ų54.895%0.94930%0.298SS*.THydrogen-bonded Turntrans-63118-174.8179.3-90.4000111.6
214G81.3Confident88.3Confident76 Ų7660.9 Ų60.978%0.78433%0.325SS*.THydrogen-bonded Turntrans97.1-3.4-176.800000114.5D212D212-G214 PolarHBondContact O-N 2.73Å; D212-G214 VanDerWaalsContact O-N 3.14Å
215T82.9Confident87.8Confident81 Ų8164.4 Ų64.450%0.49735%0.346SS..  trans-82.1130.8167.6-49.70000110.4M211 D212M211-T215 HydrophobicContact CE-CG2 3.6Å; D212-T215 WeakPolarHBondContact O-CB 3.39Å; D212-T215 PolarHBondContact O-N 2.97Å; D212-T215 PolarHBondContact O-OG1 3.38Å
216D85.7Confident87.4Confident98 Ų9865.9 Ų65.952%0.52436%0.355SS..  trans-110.9127.1179178.69000110.3T218 Y264D216-T218 VanDerWaalsContact C-N 3.29Å; D216-T218 VanDerWaalsContact CG-OG1 3.31Å; D216-T218 PolarHBondContact O-N 3.24Å; D216-T218 VanDerWaalsContact OD1-CB 3.23Å; D216-T218 WeakPolarHBondContact OD1-CB 3.32Å; D216-T218 PolarHBondContact OD1-N 2.85Å; D216-T218 PolarHBondContact OD1-OG1 3.28Å; D216-T218 WeakPolarHBondContact OD2-CB 3.06Å; D216-T218 PolarHBondContact OD2-OG1 3.38Å; D216-Y264 VanDerWaalsContact OD1-CE1 3.3Å; D216-Y264 WeakPolarHBondContact OD1-CE1 3.28Å
217A86.8Confident87.1Confident1 Ų170.7 Ų70.71%0.00839%0.386CS..  trans-79.9-4.7176.600000113.7L208 M211 D219 L220 L221 Y264L208-A217 HydrophobicContact CD2-CB 3.63Å; M211-A217 HydrophobicContact CE-CB 3.95Å; M211-A217 HydrophobicContact SD-CB 3.86Å; A217-D219 VanDerWaalsContact C-N 3.3Å; A217-D219 PolarHBondContact O-N 3.12Å; A217-L220 CarbonylContact O-C 3.54Å; A217-L220 WeakPolarHBondContact O-CA 3.36Å; A217-L220 WeakPolarHBondContact O-CB 3.39Å; A217-L220 PolarHBondContact O-N 3.1Å; A217-L221 HydrophobicContact CB-CD1 4.26Å; A217-L221 HydrophobicContact CB-CG 4.19Å; A217-L221 WeakPolarHBondContact O-CG 3.34Å; A217-L221 PolarHBondContact O-N 3.21Å; A217-Y264 HydrophobicContact CB-CE1 4.08Å; A217-Y264 VanDerWaalsContact CB-OH 3.26Å; A217-Y264 WeakPolarHBondContact CB-OH 3.37Å; A217-Y264 PolarHBondContact N-OH 2.96Å
218T88.3Confident87.1Confident30 Ų3068.9 Ų68.918%0.18438%0.38CS..Hα-helixtrans-52.2-44.9-174-66.60000112.6D216 L220 L221 L222 L267D216-T218 VanDerWaalsContact C-N 3.29Å; D216-T218 VanDerWaalsContact CG-OG1 3.31Å; D216-T218 PolarHBondContact O-N 3.24Å; D216-T218 VanDerWaalsContact OD1-CB 3.23Å; D216-T218 WeakPolarHBondContact OD1-CB 3.32Å; D216-T218 PolarHBondContact OD1-N 2.85Å; D216-T218 PolarHBondContact OD1-OG1 3.28Å; D216-T218 WeakPolarHBondContact OD2-CB 3.06Å; D216-T218 PolarHBondContact OD2-OG1 3.38Å; T218-L220 VanDerWaalsContact C-N 3.31Å; T218-L220 PolarHBondContact O-N 3.21Å; T218-L221 PolarHBondContact O-N 3.35Å; T218-L222 HydrophobicContact CG2-CD1 3.79Å; T218-L222 HydrophobicContact CG2-CG 4.45Å; T218-L222 VanDerWaalsContact O-CB 3.27Å; T218-L222 WeakPolarHBondContact O-CB 3.2Å; T218-L222 WeakPolarHBondContact O-CG 3.39Å; T218-L222 PolarHBondContact O-N 3.05Å; T218-L267 HydrophobicContact CG2-CD1 4.25Å
219D88.5Confident87.1Confident79 Ų7973.4 Ų73.442%0.42240%0.399SS..Hα-helixtrans-70.4-27.6178.8-82.28.8000113.4A217 K224A217-D219 VanDerWaalsContact C-N 3.3Å; A217-D219 PolarHBondContact O-N 3.12Å; D219-K224 HydrophobicContact CB-CD 4.02Å; D219-K224 VanDerWaalsContact O-CB 3.29Å; D219-K224 WeakPolarHBondContact O-CB 3.35Å; D219-K224 PolarHBondContact O-N 3.41Å; D219-K224 WeakPolarHBondContact OD1-CE 3.1Å; D219-K224 IonicContact OD1-NZ 3.66Å; D219-K224 PolarHBondContact OD1-NZ 3.48Å; D219-K224 IonicContact OD2-NZ 2.69Å
220L88.3Confident87.3Confident21 Ų2172.8 Ų72.811%0.1140%0.396CS..Hα-helixtrans-75.7-47.2174.8-176163000110.5F182 V205 A217 T218 L222 G223 V225 I232F182-L220 HydrophobicContact CB-CD1 3.76Å; F182-L220 HydrophobicContact CB-CG 4.36Å; F182-L220 HydrophobicContact CD1-CD1 4.47Å; F182-L220 HydrophobicContact CD1-CG 4.16Å; F182-L220 HydrophobicContact CD2-CD1 4.07Å; F182-L220 HydrophobicContact CD2-CD2 4.2Å; F182-L220 HydrophobicContact CD2-CG 4.26Å; F182-L220 HydrophobicContact CE2-CD2 4.18Å; F182-L220 HydrophobicContact CG-CD1 3.88Å; F182-L220 HydrophobicContact CG-CD2 4.45Å; F182-L220 HydrophobicContact CG-CG 4.03Å; F182-L220 HydrophobicContact CZ-CD2 4.37Å; V205-L220 HydrophobicContact CB-CD2 4.34Å; V205-L220 HydrophobicContact CG1-CD2 3.97Å; V205-L220 HydrophobicContact CG2-CD2 3.52Å; A217-L220 CarbonylContact O-C 3.54Å; A217-L220 WeakPolarHBondContact O-CA 3.36Å; A217-L220 WeakPolarHBondContact O-CB 3.39Å; A217-L220 PolarHBondContact O-N 3.1Å; T218-L220 VanDerWaalsContact C-N 3.31Å; T218-L220 PolarHBondContact O-N 3.21Å; L220-L222 VanDerWaalsContact C-N 3.29Å; L220-L222 PolarHBondContact O-N 3.03Å; L220-G223 PolarHBondContact O-N 2.93Å; L220-V225 HydrophobicContact CB-CG2 4.17Å; L220-I232 HydrophobicContact CD2-CG2 4.31Å; L220-I232 WeakPolarHBondContact O-CD1 3.44Å
221L90Very high87.4Confident13 Ų1369.3 Ų69.37%0.06838%0.384CS..Hα-helixtrans-64.9-31.7176.4-63.8177.6000112.4V205 A217 T218 G223 I232 Y264 L267V205-L221 HydrophobicContact CB-CD2 4.38Å; V205-L221 HydrophobicContact CG2-CD2 4.49Å; A217-L221 HydrophobicContact CB-CD1 4.26Å; A217-L221 HydrophobicContact CB-CG 4.19Å; A217-L221 WeakPolarHBondContact O-CG 3.34Å; A217-L221 PolarHBondContact O-N 3.21Å; T218-L221 PolarHBondContact O-N 3.35Å; L221-G223 PolarHBondContact O-N 3.11Å; L221-I232 HydrophobicContact CD2-CG2 4.37Å; L221-Y264 HydrophobicContact CD1-CD1 4.18Å; L221-Y264 HydrophobicContact CD1-CE1 4.25Å; L221-L267 HydrophobicContact CB-CD1 4.13Å; L221-L267 HydrophobicContact CD1-CD1 4.28Å
222L90.1Very high87.8Confident94 Ų9468.4 Ų68.449%0.49238%0.38SS..THydrogen-bonded Turntrans-76.83171.6-70.6173.1000114T218 L220 K224 L267T218-L222 HydrophobicContact CG2-CD1 3.79Å; T218-L222 HydrophobicContact CG2-CG 4.45Å; T218-L222 VanDerWaalsContact O-CB 3.27Å; T218-L222 WeakPolarHBondContact O-CB 3.2Å; T218-L222 WeakPolarHBondContact O-CG 3.39Å; T218-L222 PolarHBondContact O-N 3.05Å; L220-L222 VanDerWaalsContact C-N 3.29Å; L220-L222 PolarHBondContact O-N 3.03Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 HydrophobicContact CB-CG 4.25Å; L222-K224 PolarHBondContact O-N 3.34Å; L222-L267 HydrophobicContact CD2-CD2 4.05Å
223G87.1Confident88.2Confident17 Ų1762.1 Ų62.118%0.17535%0.346CS..THydrogen-bonded Turntrans72.814.9175.700000115.6L220 L221 V225 P227L220-G223 PolarHBondContact O-N 2.93Å; L221-G223 PolarHBondContact O-N 3.11Å; G223-V225 VanDerWaalsContact C-N 3.34Å; G223-P227 WeakPolarHBondContact O-CA 3.33Å
224K87Confident88.8Confident129 Ų12950.6 Ų50.656%0.56130%0.301SS*.SBendtrans-73.6-25.2-178.1-54.5-178.5-170.5168.60113.3D219 L222D219-K224 HydrophobicContact CB-CD 4.02Å; D219-K224 VanDerWaalsContact O-CB 3.29Å; D219-K224 WeakPolarHBondContact O-CB 3.35Å; D219-K224 PolarHBondContact O-N 3.41Å; D219-K224 WeakPolarHBondContact OD1-CE 3.1Å; D219-K224 IonicContact OD1-NZ 3.66Å; D219-K224 PolarHBondContact OD1-NZ 3.48Å; D219-K224 IonicContact OD2-NZ 2.69Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 HydrophobicContact CB-CG 4.25Å; L222-K224 PolarHBondContact O-N 3.34Å
225V84Confident89.4Confident74 Ų7447 Ų4745%0.44826%0.264SS..SBendtrans-83-57.4-175.2-175.30000111.5F182 L220 G223F182-V225 HydrophobicContact CB-CG1 4.43Å; F182-V225 HydrophobicContact CD1-CB 4.43Å; F182-V225 HydrophobicContact CD1-CG1 4.39Å; L220-V225 HydrophobicContact CB-CG2 4.17Å; G223-V225 VanDerWaalsContact C-N 3.34Å
226V85.4Confident89.9Confident30 Ų3044 Ų4418%0.18225%0.245CC..SBendtrans-133.6107.4169.1-178.80000107.3F182F182-V226 HydrophobicContact CD1-CB 3.93Å; F182-V226 HydrophobicContact CD1-CG2 4Å; F182-V226 HydrophobicContact CE1-CB 3.88Å; F182-V226 HydrophobicContact CE1-CG2 4.44Å
227P87.2Confident90.1Very high103 Ų10340.3 Ų40.367%0.66923%0.226SC*.  trans-74137.4179.828.7-33.9000111.1G223G223-P227 WeakPolarHBondContact O-CA 3.33Å
228V91Very high90.2Very high20 Ų2041 Ų4112%0.12123%0.228CC..  trans-133.8138.1169.8-70.10000108.3L188 T201 A203 L230 G231 I232L188-V228 HydrophobicContact CD2-CG1 4.33Å; T201-V228 HydrophobicContact CG2-CG1 4.11Å; A203-V228 HydrophobicContact CB-CG2 3.99Å; V228-L230 PolarHBondContact O-N 3.14Å; V228-G231 VanDerWaalsContact CG2-O 3.26Å; V228-G231 WeakPolarHBondContact CG2-O 3.42Å; V228-G231 PolarHBondContact O-N 2.75Å; V228-G231 VanDerWaalsContact O-N 3.12Å; V228-I232 HydrophobicContact CG2-CD1 4.16Å; V228-I232 HydrophobicContact CG2-CG1 3.67Å
229K91.1Very high90.1Very high102 Ų10241.6 Ų41.644%0.44323%0.234SC..THydrogen-bonded Turntrans-75.5-23.8-162.7-60179.8-178.4-174.80113.6E197 G198 E199 G231E197-K229 VanDerWaalsContact O-CE 3.24Å; E197-K229 WeakPolarHBondContact O-CE 3.45Å; E197-K229 IonicContact OE2-NZ 3.21Å; E197-K229 PolarHBondContact OE2-NZ 3.4Å; G198-K229 VanDerWaalsContact O-CB 3.31Å; G198-K229 WeakPolarHBondContact O-CB 3.37Å; G198-K229 PolarHBondContact O-N 2.83Å; E199-K229 VanDerWaalsContact CD-NZ 3.29Å; E199-K229 HydrophobicContact CG-CD 3.82Å; E199-K229 WeakPolarHBondContact OE1-CD 3.45Å; E199-K229 IonicContact OE1-NZ 2.66Å; E199-K229 PolarHBondContact OE1-NZ 3.47Å; E199-K229 VanDerWaalsContact OE2-CD 3.25Å; E199-K229 WeakPolarHBondContact OE2-CD 3.05Å; K229-G231 VanDerWaalsContact C-N 3.27Å
230L92.9Very high89.9Confident47 Ų4744.4 Ų44.425%0.24625%0.249CC..THydrogen-bonded Turntrans-78.7-9.6172.2-55-173.1000113.6I171 E199 T201 L202 V228 L283I171-L230 HydrophobicContact CG2-CD1 4.03Å; E199-L230 VanDerWaalsContact O-CD2 3.26Å; E199-L230 WeakPolarHBondContact O-CD2 3.34Å; E199-L230 WeakPolarHBondContact O-CG 3.23Å; T201-L230 WeakPolarHBondContact O-CB 3.45Å; L202-L230 HydrophobicContact CB-CB 4.01Å; L202-L230 HydrophobicContact CB-CD1 4.2Å; L202-L230 HydrophobicContact CD1-CB 3.83Å; L202-L230 WeakPolarHBondContact CD1-O 3.41Å; V228-L230 PolarHBondContact O-N 3.14Å; L230-L283 HydrophobicContact CB-CD1 4.46Å; L230-L283 HydrophobicContact CD1-CD1 4.26Å; L230-L283 HydrophobicContact CD1-CD2 4.39Å; L230-L283 HydrophobicContact CD2-CD2 3.92Å
231G92.7Very high89.7Confident28 Ų2850 Ų5029%0.28928%0.275SS..  trans95.2-176.2-179.900000114.7L202 A203 V228 K229L202-G231 WeakPolarHBondContact CD1-O 3.42Å; A203-G231 PolarHBondContact N-O 2.57Å; V228-G231 VanDerWaalsContact CG2-O 3.26Å; V228-G231 WeakPolarHBondContact CG2-O 3.42Å; V228-G231 PolarHBondContact O-N 2.75Å; V228-G231 VanDerWaalsContact O-N 3.12Å; K229-G231 VanDerWaalsContact C-N 3.27Å
232I94.1Very high89.6Confident15 Ų1551.2 Ų51.28%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-131.6128.5-174.5-52.9-168.4000108.5F182 A203 V205 L220 L221 V228F182-I232 HydrophobicContact CE1-CD1 3.81Å; F182-I232 HydrophobicContact CZ-CD1 3.84Å; F182-I232 HydrophobicContact CZ-CG2 4.39Å; A203-I232 HydrophobicContact CB-CB 4.49Å; A203-I232 HydrophobicContact CB-CD1 4.48Å; A203-I232 HydrophobicContact CB-CG1 4.08Å; A203-I232 HydrophobicContact CB-CG2 4.22Å; A203-I232 WeakPolarHBondContact O-CA 3.15Å; V205-I232 HydrophobicContact CG2-CG2 3.49Å; V205-I232 VanDerWaalsContact CG2-CG2 3.49Å; L220-I232 HydrophobicContact CD2-CG2 4.31Å; L220-I232 WeakPolarHBondContact O-CD1 3.44Å; L221-I232 HydrophobicContact CD2-CG2 4.37Å; V228-I232 HydrophobicContact CG2-CD1 4.16Å; V228-I232 HydrophobicContact CG2-CG1 3.67Å
233V94.9Very high89.2Confident4 Ų448 Ų482%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-121.4117.3-177.3-171.90000110.5L202 A203 V204 V205 V235 Y275 L276L202-V233 HydrophobicContact CD1-CG2 4.43Å; A203-V233 PolarHBondContact O-N 3.46Å; V204-V233 WeakPolarHBondContact CA-O 3.29Å; V205-V233 PolarHBondContact N-O 2.66Å; V233-V235 HydrophobicContact CG1-CG1 4.39Å; V233-Y275 HydrophobicContact CG1-CD1 4.07Å; V233-Y275 HydrophobicContact CG2-CD1 4.22Å; V233-Y275 HydrophobicContact CG2-CE1 4.13Å; V233-L276 HydrophobicContact CB-CD1 4.24Å; V233-L276 HydrophobicContact CG1-CB 4.03Å; V233-L276 HydrophobicContact CG1-CD1 4.37Å; V233-L276 HydrophobicContact CG2-CD1 4.34Å
234G94.5Very high89Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-79.1136.7172.300000112.2V205 N271 G272V205-G234 WeakPolarHBondContact O-CA 3.34Å; G234-N271 WeakPolarHBondContact CA-OD1 3.3Å; G234-N271 PolarHBondContact N-OD1 3.19Å; G234-G272 WeakPolarHBondContact O-CA 3.33Å; G234-G272 PolarHBondContact O-N 2.82Å
235V94.3Very high89Confident0 Ų053.5 Ų53.50%030%0.296CS..  trans-139.7145.9179.6-62.80000111.6I41 V204 V205 T206 V233 E256 L276I41-V235 HydrophobicContact CG1-CG2 4.25Å; V204-V235 HydrophobicContact CG1-CG1 4.32Å; V204-V235 HydrophobicContact CG1-CG2 3.65Å; V205-V235 PolarHBondContact O-N 3.27Å; T206-V235 HydrophobicContact CG2-CG2 3.93Å; V233-V235 HydrophobicContact CG1-CG1 4.39Å; V235-E256 VanDerWaalsContact CA-OE1 3.32Å; V235-E256 WeakPolarHBondContact CA-OE1 3.14Å; V235-E256 WeakPolarHBondContact CB-OE1 3.5Å; V235-L276 HydrophobicContact CG1-CB 4.48Å; V235-L276 HydrophobicContact CG1-CD2 4Å
236V93.1Very high88.9Confident18 Ų1858.6 Ų58.611%0.10931%0.307CS..  trans-116.1112.9175.8-177.90000108.2L208 D209 E256 F259L208-V236 HydrophobicContact CB-CG2 4.25Å; D209-V236 HydrophobicContact CB-CG1 4.22Å; V236-E256 HydrophobicContact CB-CB 4.09Å; V236-E256 HydrophobicContact CB-CG 4Å; V236-E256 PolarHBondContact N-OE1 3.06Å; V236-F259 HydrophobicContact CG2-CD1 3.67Å; V236-F259 HydrophobicContact CG2-CE1 3.95Å; V236-F259 HydrophobicContact CG2-CG 4.15Å
237N90.8Very high89Confident21 Ų2159.7 Ų59.711%0.11231%0.31CS..PPolyproline II helixtrans-99.6162.4-179.3-76.7-84.7000110.6S40 I41 S44 S239S40-N237 PolarHBondContact O-OD1 3.5Å; I41-N237 PolarHBondContact N-OD1 2.85Å; S44-N237 PolarHBondContact OG-OD1 3.14Å; N237-S239 PolarHBondContact O-N 2.69Å
238R89.7Confident89Confident15 Ų1558.1 Ų58.16%0.05730%0.301CS..PPolyproline II helixtrans-51.7134.5169.3-73.3179.4-64.5163.35.4111.1D49 R53 D242 K247 I249 A252D49-R238 VanDerWaalsContact CG-NH1 3.33Å; D49-R238 IonicContact OD1-CZ 3.09Å; D49-R238 VanDerWaalsContact OD1-CZ 3.24Å; D49-R238 IonicContact OD1-NH1 2.66Å; D49-R238 PolarHBondContact OD1-NH1 3.26Å; D49-R238 IonicContact OD1-NH2 2.78Å; D49-R238 PolarHBondContact OD1-NH2 3.03Å; D49-R238 IonicContact OD2-CZ 2.69Å; D49-R238 IonicContact OD2-NH1 2.74Å; D49-R238 PolarHBondContact OD2-NH1 3.17Å; D49-R238 IonicContact OD2-NH2 3.22Å; D49-R238 PolarHBondContact OD2-NH2 3.36Å; R53-R238 VanDerWaalsContact NH2-NH2 3.13Å; R238-D242 HydrophobicContact CB-CB 3.82Å; R238-D242 HydrophobicContact CG-CB 4.11Å; R238-K247 WeakPolarHBondContact CD-O 3.39Å; R238-K247 PolarHBondContact NH1-O 3.01Å; R238-I249 VanDerWaalsContact CZ-CG1 3.47Å; R238-A252 HydrophobicContact CG-CB 3.35Å
239S85.5Confident88.8Confident44 Ų4457.6 Ų57.631%0.30830%0.298SS..PPolyproline II helixtrans-66.8169.9170.371.30000111.8N237 Q241 D242 T243N237-S239 PolarHBondContact O-N 2.69Å; S239-Q241 PolarHBondContact O-N 3.3Å; S239-Q241 PolarHBondContact OG-N 3.32Å; S239-D242 VanDerWaalsContact CB-OD2 3.26Å; S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 PolarHBondContact N-OD2 2.9Å; S239-D242 PolarHBondContact O-N 3Å; S239-D242 PolarHBondContact OG-N 2.88Å; S239-D242 PolarHBondContact OG-OD2 3.01Å; S239-T243 WeakPolarHBondContact O-CB 3.23Å; S239-T243 PolarHBondContact O-N 3.43Å; S239-T243 PolarHBondContact O-OG1 3.43Å
240N83.7Confident88.6Confident138 Ų13856.3 Ų56.374%0.73831%0.306SS*.Hα-helixtrans-60.6-31.4171-68.4-14000111.8T243 L244N240-T243 WeakPolarHBondContact O-CB 3.41Å; N240-L244 WeakPolarHBondContact O-CG 3.39Å; N240-L244 PolarHBondContact O-N 2.99Å
241Q85Confident88.5Confident138 Ų13855.8 Ų55.865%0.64531%0.308SS*.Hα-helixtrans-75.5-42.9177.6-171174.3900111.7S239 T243 L244 N245S239-Q241 PolarHBondContact O-N 3.3Å; S239-Q241 PolarHBondContact OG-N 3.32Å; Q241-T243 PolarHBondContact O-N 2.99Å; Q241-L244 PolarHBondContact O-N 2.87Å; Q241-N245 WeakPolarHBondContact O-CB 3.25Å; Q241-N245 PolarHBondContact O-N 2.67Å; Q241-N245 PolarHBondContact O-ND2 2.75Å
242D87.3Confident88.4Confident39 Ų3954.9 Ų54.921%0.20930%0.298CS..Hα-helixtrans-56.9-39.1171.9-66.7-59.6000111.6R238 S239 N245 R246 K247R238-D242 HydrophobicContact CB-CB 3.82Å; R238-D242 HydrophobicContact CG-CB 4.11Å; S239-D242 VanDerWaalsContact CB-OD2 3.26Å; S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 PolarHBondContact N-OD2 2.9Å; S239-D242 PolarHBondContact O-N 3Å; S239-D242 PolarHBondContact OG-N 2.88Å; S239-D242 PolarHBondContact OG-OD2 3.01Å; D242-N245 CarbonylContact O-C 3.58Å; D242-N245 PolarHBondContact O-N 3.2Å; D242-R246 PolarHBondContact O-N 2.71Å; D242-K247 HydrophobicContact CB-CB 4.03Å; D242-K247 HydrophobicContact CB-CD 3.69Å; D242-K247 VanDerWaalsContact O-CB 3.26Å; D242-K247 WeakPolarHBondContact O-CB 3.4Å; D242-K247 PolarHBondContact O-N 3.38Å; D242-K247 WeakPolarHBondContact OD1-CD 3.37Å; D242-K247 WeakPolarHBondContact OD1-CE 3.42Å; D242-K247 IonicContact OD1-NZ 3.74Å; D242-K247 PolarHBondContact OD1-NZ 3.21Å; D242-K247 IonicContact OD2-NZ 3.6Å
243T81Confident88.2Confident27 Ų2756.6 Ų56.617%0.16631%0.307CS..Hα-helixtrans-63-51.8175.4-60.70000111.6R53 S239 N240 Q241 N245 R246R53-T243 PolarHBondContact NH1-OG1 2.98Å; S239-T243 WeakPolarHBondContact O-CB 3.23Å; S239-T243 PolarHBondContact O-N 3.43Å; S239-T243 PolarHBondContact O-OG1 3.43Å; N240-T243 WeakPolarHBondContact O-CB 3.41Å; Q241-T243 PolarHBondContact O-N 2.99Å; T243-N245 PolarHBondContact O-N 3.09Å; T243-R246 WeakPolarHBondContact O-CA 3.49Å; T243-R246 PolarHBondContact O-N 2.81Å
244L83.6Confident88.1Confident145 Ų14561.2 Ų61.276%0.75933%0.328SS*.Hα-helixtrans-60.5-35.2178.7-73.5166.5000111.7N240 Q241 R246N240-L244 WeakPolarHBondContact O-CG 3.39Å; N240-L244 PolarHBondContact O-N 2.99Å; Q241-L244 PolarHBondContact O-N 2.87Å; L244-R246 PolarHBondContact O-N 2.69Å
245N87.3Confident88Confident116 Ų11665 Ų6562%0.6235%0.349SS*.THydrogen-bonded Turntrans-76.74.4174.6-65.4-13.4000113.8Q241 D242 T243 K247Q241-N245 WeakPolarHBondContact O-CB 3.25Å; Q241-N245 PolarHBondContact O-N 2.67Å; Q241-N245 PolarHBondContact O-ND2 2.75Å; D242-N245 CarbonylContact O-C 3.58Å; D242-N245 PolarHBondContact O-N 3.2Å; T243-N245 PolarHBondContact O-N 3.09Å; N245-K247 PolarHBondContact O-N 2.94Å
246R81.7Confident88Confident180 Ų18065.1 Ų65.168%0.67935%0.349SS*.THydrogen-bonded Turntrans47.938.6-174.8-70-172.3167.5-143-7.4113.6D96 D242 T243 L244 S248D96-R246 IonicContact OD2-CZ 3.58Å; D96-R246 IonicContact OD2-NH1 3.24Å; D96-R246 IonicContact OD2-NH2 3.49Å; D96-R246 PolarHBondContact OD2-NH2 3.27Å; D242-R246 PolarHBondContact O-N 2.71Å; T243-R246 WeakPolarHBondContact O-CA 3.49Å; T243-R246 PolarHBondContact O-N 2.81Å; L244-R246 PolarHBondContact O-N 2.69Å; R246-S248 PolarHBondContact O-N 3.13Å
247K87.2Confident87.9Confident54 Ų5465.9 Ų65.924%0.23536%0.357CS..  trans-59.9130.7175.9-175.1179.8-174.8-178.20110.3R238 D242 N245 A251 D255R238-K247 WeakPolarHBondContact CD-O 3.39Å; R238-K247 PolarHBondContact NH1-O 3.01Å; D242-K247 HydrophobicContact CB-CB 4.03Å; D242-K247 HydrophobicContact CB-CD 3.69Å; D242-K247 VanDerWaalsContact O-CB 3.26Å; D242-K247 WeakPolarHBondContact O-CB 3.4Å; D242-K247 PolarHBondContact O-N 3.38Å; D242-K247 WeakPolarHBondContact OD1-CD 3.37Å; D242-K247 WeakPolarHBondContact OD1-CE 3.42Å; D242-K247 IonicContact OD1-NZ 3.74Å; D242-K247 PolarHBondContact OD1-NZ 3.21Å; D242-K247 IonicContact OD2-NZ 3.6Å; N245-K247 PolarHBondContact O-N 2.94Å; K247-A251 HydrophobicContact CG-CB 4.25Å; K247-D255 WeakPolarHBondContact CE-OD2 3.39Å; K247-D255 IonicContact NZ-OD2 3.46Å; K247-D255 PolarHBondContact NZ-OD2 3.23Å
248S87.7Confident88Confident69 Ų6968.2 Ų68.248%0.48337%0.37SS..  trans-64.9145.6-179.266.80000111.7R246 A250 A251 A252R246-S248 PolarHBondContact O-N 3.13Å; S248-A250 PolarHBondContact O-N 3.14Å; S248-A251 PolarHBondContact O-N 2.93Å; S248-A251 WeakPolarHBondContact OG-CB 3.44Å; S248-A251 PolarHBondContact OG-N 3.17Å; S248-A252 PolarHBondContact O-N 3.07Å; S248-A252 VanDerWaalsContact O-N 3.17Å
249I86.5Confident88.2Confident10 Ų1069.6 Ų69.65%0.05138%0.376CS..Hα-helixtrans-63.5-34.1177.4-70160.8000110.8E43 K48 D49 R238 A251 A252 L253E43-I249 HydrophobicContact CB-CD1 4.49Å; E43-I249 WeakPolarHBondContact O-CD1 3.13Å; K48-I249 VanDerWaalsContact N-CD1 3.31Å; D49-I249 VanDerWaalsContact OD1-CD1 3.25Å; D49-I249 WeakPolarHBondContact OD1-CD1 3.46Å; R238-I249 VanDerWaalsContact CZ-CG1 3.47Å; I249-A251 VanDerWaalsContact C-N 3.32Å; I249-A251 PolarHBondContact O-N 3Å; I249-A252 WeakPolarHBondContact O-CB 3.33Å; I249-A252 PolarHBondContact O-N 3.49Å; I249-A252 VanDerWaalsContact O-N 3.07Å; I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 3.48Å
250A87.7Confident88.5Confident75 Ų7567.7 Ų67.762%0.6236%0.363SS*.Hα-helixtrans-57.8-40.5173.700000113.1S248 Q254S248-A250 PolarHBondContact O-N 3.14Å; A250-Q254 PolarHBondContact O-N 2.89Å
251A90.8Very high88.8Confident36 Ų3666.2 Ų66.230%0.29835%0.35SS..Hα-helixtrans-69.4-36.6174.300000111.9K247 S248 I249 Q254 D255K247-A251 HydrophobicContact CG-CB 4.25Å; S248-A251 PolarHBondContact O-N 2.93Å; S248-A251 WeakPolarHBondContact OG-CB 3.44Å; S248-A251 PolarHBondContact OG-N 3.17Å; I249-A251 VanDerWaalsContact C-N 3.32Å; I249-A251 PolarHBondContact O-N 3Å; A251-Q254 WeakPolarHBondContact O-CB 3.22Å; A251-Q254 PolarHBondContact O-N 3.41Å; A251-D255 PolarHBondContact O-N 3.16Å
252A89.8Confident89.1Confident8 Ų869.8 Ų69.87%0.06636%0.357CS..Hα-helixtrans-66.8-36.6176.400000113.3R238 S248 I249 Q254 D255 E256R238-A252 HydrophobicContact CG-CB 3.35Å; S248-A252 PolarHBondContact O-N 3.07Å; S248-A252 VanDerWaalsContact O-N 3.17Å; I249-A252 WeakPolarHBondContact O-CB 3.33Å; I249-A252 PolarHBondContact O-N 3.49Å; I249-A252 VanDerWaalsContact O-N 3.07Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; A252-D255 PolarHBondContact O-N 2.67Å; A252-E256 WeakPolarHBondContact O-CB 3.33Å; A252-E256 PolarHBondContact O-N 2.9Å
253L91.1Very high89.1Confident51 Ų5171.5 Ų71.527%0.26737%0.366SS..Hα-helixtrans-67.2-32.3173.9-68.1171.1000112I249 A257 T273 P274I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 3.48Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.46Å; L253-T273 HydrophobicContact CD2-CG2 4.02Å; L253-P274 HydrophobicContact CD2-CG 4.36Å
254Q91.8Very high89.5Confident101 Ų10170.9 Ų70.947%0.47236%0.361SS..Hα-helixtrans-68.3-46.9171.9-177.162.540.400111.2A250 A251 A252 E256 A257 D258A250-Q254 PolarHBondContact O-N 2.89Å; A251-Q254 WeakPolarHBondContact O-CB 3.22Å; A251-Q254 PolarHBondContact O-N 3.41Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; Q254-E256 VanDerWaalsContact C-N 3.33Å; Q254-E256 PolarHBondContact O-N 3.32Å; Q254-A257 PolarHBondContact O-N 2.92Å; Q254-D258 VanDerWaalsContact NE2-CG 3.33Å; Q254-D258 PolarHBondContact NE2-OD1 3.41Å; Q254-D258 PolarHBondContact NE2-OD2 3.5Å; Q254-D258 PolarHBondContact O-N 3.43Å
255D91.7Very high89.7Confident80 Ų8068.1 Ų68.143%0.42835%0.352SS..Hα-helixtrans-61.8-39.6176.4-69.8-16.7000111.9K247 A251 A252 D258 F259K247-D255 WeakPolarHBondContact CE-OD2 3.39Å; K247-D255 IonicContact NZ-OD2 3.46Å; K247-D255 PolarHBondContact NZ-OD2 3.23Å; A251-D255 PolarHBondContact O-N 3.16Å; A252-D255 PolarHBondContact O-N 2.67Å; D255-D258 PolarHBondContact O-N 2.93Å; D255-F259 VanDerWaalsContact O-CB 3.25Å; D255-F259 WeakPolarHBondContact O-CB 3.33Å; D255-F259 PolarHBondContact O-N 2.99Å
256E94.1Very high89.7Confident2 Ų267.5 Ų67.51%0.00936%0.356CS..Hα-helixtrans-59.1-49172176.7179.8-120.200111.1V235 V236 A252 Q254 D258 F259 L260 G272 T273 P274V235-E256 VanDerWaalsContact CA-OE1 3.32Å; V235-E256 WeakPolarHBondContact CA-OE1 3.14Å; V235-E256 WeakPolarHBondContact CB-OE1 3.5Å; V236-E256 HydrophobicContact CB-CB 4.09Å; V236-E256 HydrophobicContact CB-CG 4Å; V236-E256 PolarHBondContact N-OE1 3.06Å; A252-E256 WeakPolarHBondContact O-CB 3.33Å; A252-E256 PolarHBondContact O-N 2.9Å; Q254-E256 VanDerWaalsContact C-N 3.33Å; Q254-E256 PolarHBondContact O-N 3.32Å; E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 3.27Å; E256-F259 PolarHBondContact O-N 2.89Å; E256-L260 HydrophobicContact CG-CD1 3.89Å; E256-L260 HydrophobicContact CG-CG 4.5Å; E256-L260 WeakPolarHBondContact O-CB 3.29Å; E256-L260 VanDerWaalsContact O-CG 3.29Å; E256-L260 WeakPolarHBondContact O-CG 3.08Å; E256-L260 PolarHBondContact O-N 3.22Å; E256-G272 VanDerWaalsContact CD-CA 3.47Å; E256-G272 WeakPolarHBondContact OE1-CA 3.42Å; E256-T273 VanDerWaalsContact CD-N 3.29Å; E256-T273 PolarHBondContact OE1-N 2.99Å; E256-T273 VanDerWaalsContact OE1-N 3.14Å; E256-T273 PolarHBondContact OE1-OG1 2.84Å; E256-T273 VanDerWaalsContact OE1-OG1 3.1Å; E256-T273 WeakPolarHBondContact OE2-CB 3.42Å; E256-T273 PolarHBondContact OE2-N 3Å; E256-T273 PolarHBondContact OE2-OG1 2.66Å; E256-P274 WeakPolarHBondContact OE2-CD 3.3Å
257A92.2Very high90Very high34 Ų3460.2 Ų60.228%0.28133%0.331SS..Hα-helixtrans-62.7-39.1179.700000112.3L253 Q254 K261L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.46Å; Q254-A257 PolarHBondContact O-N 2.92Å; A257-K261 WeakPolarHBondContact O-CB 3.27Å; A257-K261 WeakPolarHBondContact O-CD 3.3Å; A257-K261 WeakPolarHBondContact O-CE 3.01Å; A257-K261 WeakPolarHBondContact O-CG 3.48Å; A257-K261 PolarHBondContact O-N 3.38Å
258D93.5Very high90Very high70 Ų7059.4 Ų59.437%0.37433%0.332SS..Hα-helixtrans-79.3-30.8-179.4-67.8-21.5000112.6Q254 D255 E256 K261 R262Q254-D258 VanDerWaalsContact NE2-CG 3.33Å; Q254-D258 PolarHBondContact NE2-OD1 3.41Å; Q254-D258 PolarHBondContact NE2-OD2 3.5Å; Q254-D258 PolarHBondContact O-N 3.43Å; D255-D258 PolarHBondContact O-N 2.93Å; E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 3.27Å; D258-K261 IonicContact OD1-NZ 2.73Å; D258-K261 PolarHBondContact OD1-NZ 3.09Å; D258-R262 VanDerWaalsContact O-CB 3.24Å; D258-R262 WeakPolarHBondContact O-CB 3.3Å; D258-R262 PolarHBondContact O-N 3.47Å; D258-R262 VanDerWaalsContact O-N 3.14Å
259F92.2Very high90Very high44 Ų4464.3 Ų64.319%0.19335%0.347CS..Hα-helixtrans-61.6-49.3166.2178.6-83000111.4L208 D209 V236 D255 E256 R262 N263 Y264L208-F259 HydrophobicContact CB-CE1 3.83Å; L208-F259 HydrophobicContact CB-CZ 4.08Å; L208-F259 WeakPolarHBondContact O-CZ 3.34Å; D209-F259 HydrophobicContact CB-CD2 4.35Å; D209-F259 HydrophobicContact CB-CE2 3.81Å; D209-F259 HydrophobicContact CB-CZ 4.24Å; V236-F259 HydrophobicContact CG2-CD1 3.67Å; V236-F259 HydrophobicContact CG2-CE1 3.95Å; V236-F259 HydrophobicContact CG2-CG 4.15Å; D255-F259 VanDerWaalsContact O-CB 3.25Å; D255-F259 WeakPolarHBondContact O-CB 3.33Å; D255-F259 PolarHBondContact O-N 2.99Å; E256-F259 PolarHBondContact O-N 2.89Å; F259-R262 PolarHBondContact O-N 3.24Å; F259-N263 WeakPolarHBondContact CD2-ND2 3.25Å; F259-N263 HydrophobicContact CE1-CB 4.44Å; F259-N263 WeakPolarHBondContact CE2-ND2 3.49Å; F259-N263 WeakPolarHBondContact CZ-ND2 3.46Å; F259-N263 WeakPolarHBondContact O-CB 3.33Å; F259-N263 PolarHBondContact O-N 3.3Å; F259-Y264 HydrophobicContact CE1-CD2 4.22Å; F259-Y264 HydrophobicContact CE1-CE2 4.01Å
260L91.6Very high90.2Very high4 Ų466.9 Ų66.92%0.02137%0.365CS..Hα-helixtrans-65.6-41.8-178.4-72.8172.5000112L208 E256 R262 Y264 C268 N271L208-L260 HydrophobicContact CD1-CD2 4.36Å; E256-L260 HydrophobicContact CG-CD1 3.89Å; E256-L260 HydrophobicContact CG-CG 4.5Å; E256-L260 WeakPolarHBondContact O-CB 3.29Å; E256-L260 VanDerWaalsContact O-CG 3.29Å; E256-L260 WeakPolarHBondContact O-CG 3.08Å; E256-L260 PolarHBondContact O-N 3.22Å; L260-R262 VanDerWaalsContact C-N 3.3Å; L260-R262 PolarHBondContact O-N 3.45Å; L260-Y264 HydrophobicContact CD2-CD2 4.28Å; L260-Y264 CarbonylContact O-C 3.08Å; L260-Y264 VanDerWaalsContact O-CA 3.26Å; L260-Y264 WeakPolarHBondContact O-CA 3.37Å; L260-Y264 PolarHBondContact O-N 3.4Å; L260-C268 HydrophobicContact CB-CB 4.03Å; L260-N271 HydrophobicContact CD1-CB 4.02Å; L260-N271 HydrophobicContact CD2-CB 4.07Å
261K91.6Very high90.4Very high108 Ų10863.9 Ų63.947%0.4734%0.338SS..Hα-helixtrans-60.4-38.7172.9-71163.4-152.8159.60112.5A257 D258 P265A257-K261 WeakPolarHBondContact O-CB 3.27Å; A257-K261 WeakPolarHBondContact O-CD 3.3Å; A257-K261 WeakPolarHBondContact O-CE 3.01Å; A257-K261 WeakPolarHBondContact O-CG 3.48Å; A257-K261 PolarHBondContact O-N 3.38Å; D258-K261 IonicContact OD1-NZ 2.73Å; D258-K261 PolarHBondContact OD1-NZ 3.09Å; K261-P265 WeakPolarHBondContact O-CB 3.49Å
262R90.2Very high90.5Very high212 Ų21262.2 Ų62.280%0.833%0.325SS*.Hα-helixtrans-74.8-44.7-176-178.3-179.1174.1167.7-1.4112.8D258 F259 L260D258-R262 VanDerWaalsContact O-CB 3.24Å; D258-R262 WeakPolarHBondContact O-CB 3.3Å; D258-R262 PolarHBondContact O-N 3.47Å; D258-R262 VanDerWaalsContact O-N 3.14Å; F259-R262 PolarHBondContact O-N 3.24Å; L260-R262 VanDerWaalsContact C-N 3.3Å; L260-R262 PolarHBondContact O-N 3.45Å
263N87.3Confident90.7Very high75 Ų7562 Ų6240%0.40132%0.323SS..Hα-helixtrans-100.7-29.9-170.3-62.6-20.5000112.8F259 P265F259-N263 WeakPolarHBondContact CD2-ND2 3.25Å; F259-N263 HydrophobicContact CE1-CB 4.44Å; F259-N263 WeakPolarHBondContact CE2-ND2 3.49Å; F259-N263 WeakPolarHBondContact CZ-ND2 3.46Å; F259-N263 WeakPolarHBondContact O-CB 3.33Å; F259-N263 PolarHBondContact O-N 3.3Å; N263-P265 VanDerWaalsContact C-CD 3.42Å
264Y90.3Very high90.7Very high15 Ų1562.8 Ų62.86%0.05933%0.331CS..  trans-129.749.7-174.6-64-78.7000112.5D216 A217 L221 F259 L260 S266 L267 C268D216-Y264 VanDerWaalsContact OD1-CE1 3.3Å; D216-Y264 WeakPolarHBondContact OD1-CE1 3.28Å; A217-Y264 HydrophobicContact CB-CE1 4.08Å; A217-Y264 VanDerWaalsContact CB-OH 3.26Å; A217-Y264 WeakPolarHBondContact CB-OH 3.37Å; A217-Y264 PolarHBondContact N-OH 2.96Å; L221-Y264 HydrophobicContact CD1-CD1 4.18Å; L221-Y264 HydrophobicContact CD1-CE1 4.25Å; F259-Y264 HydrophobicContact CE1-CD2 4.22Å; F259-Y264 HydrophobicContact CE1-CE2 4.01Å; L260-Y264 HydrophobicContact CD2-CD2 4.28Å; L260-Y264 CarbonylContact O-C 3.08Å; L260-Y264 VanDerWaalsContact O-CA 3.26Å; L260-Y264 WeakPolarHBondContact O-CA 3.37Å; L260-Y264 PolarHBondContact O-N 3.4Å; Y264-S266 PolarHBondContact O-N 3.4Å; Y264-S266 VanDerWaalsContact O-N 3.13Å; Y264-L267 CarbonylContact O-C 3.53Å; Y264-L267 PolarHBondContact O-N 2.95Å; Y264-C268 WeakPolarHBondContact O-CB 3.35Å; Y264-C268 PolarHBondContact O-N 2.97Å
265P87.5Confident90.8Very high86 Ų8661.7 Ų61.756%0.55832%0.323SS*.THydrogen-bonded Turntrans-57.4-33.9-171.222.4-34000113.9K261 N263 L267 C268K261-P265 WeakPolarHBondContact O-CB 3.49Å; N263-P265 VanDerWaalsContact C-CD 3.42Å; P265-L267 VanDerWaalsContact C-N 3.32Å; P265-L267 PolarHBondContact O-N 3Å; P265-C268 PolarHBondContact O-SG 2.93Å
266S88.1Confident91Very high103 Ų10357.9 Ų57.972%0.7230%0.303SS*.THydrogen-bonded Turntrans-75.1-15177.249.60000114.7Y264Y264-S266 PolarHBondContact O-N 3.4Å; Y264-S266 VanDerWaalsContact O-N 3.13Å
267L87.9Confident90.9Very high27 Ų2758.7 Ų58.714%0.14131%0.308CS..THydrogen-bonded Turntrans-120.6-3.3-176.4-61179.9000113T218 L221 L222 Y264 P265 E269 C270 N271T218-L267 HydrophobicContact CG2-CD1 4.25Å; L221-L267 HydrophobicContact CB-CD1 4.13Å; L221-L267 HydrophobicContact CD1-CD1 4.28Å; L222-L267 HydrophobicContact CD2-CD2 4.05Å; Y264-L267 CarbonylContact O-C 3.53Å; Y264-L267 PolarHBondContact O-N 2.95Å; P265-L267 VanDerWaalsContact C-N 3.32Å; P265-L267 PolarHBondContact O-N 3Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.04Å; L267-C270 PolarHBondContact O-N 3.32Å; L267-N271 PolarHBondContact O-N 2.85Å; L267-N271 PolarHBondContact O-ND2 3.37Å
268C86Confident90.9Very high37 Ų3764.1 Ų64.125%0.2533%0.325CS..G310 helixtrans-63.7-25.8-171.3680000114.5L260 Y264 P265 C270L260-C268 HydrophobicContact CB-CB 4.03Å; Y264-C268 WeakPolarHBondContact O-CB 3.35Å; Y264-C268 PolarHBondContact O-N 2.97Å; P265-C268 PolarHBondContact O-SG 2.93Å; C268-C270 VanDerWaalsContact C-N 3.34Å
269E88.8Confident90.9Very high173 Ų17361.1 Ų61.181%0.80831%0.309SS*.G310 helixtrans-75.3-22.4174.2-60.4-168.8154.800113.4L267 Y275L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.04Å; E269-Y275 WeakPolarHBondContact O-CD2 3.33Å
270C89.4Confident90.9Very high64 Ų6459 Ų5943%0.43230%0.3SS..G310 helixtrans-102.89.9-177.7-64.60000113.2L267 C268 Y275L267-C270 PolarHBondContact O-N 3.32Å; C268-C270 VanDerWaalsContact C-N 3.34Å; C270-Y275 HydrophobicContact CB-CE2 4.39Å; C270-Y275 WeakPolarHBondContact O-CD1 3.41Å; C270-Y275 VanDerWaalsContact O-CE1 3.26Å; C270-Y275 WeakPolarHBondContact O-CE1 3.45Å
271N92.5Very high90.9Very high11 Ų1160.3 Ų60.36%0.05931%0.307CS..  trans-135.9171.6-174.9-75.1-86.2000111.2G234 L260 L267 Y275G234-N271 WeakPolarHBondContact CA-OD1 3.3Å; G234-N271 PolarHBondContact N-OD1 3.19Å; L260-N271 HydrophobicContact CD1-CB 4.02Å; L260-N271 HydrophobicContact CD2-CB 4.07Å; L267-N271 PolarHBondContact O-N 2.85Å; L267-N271 PolarHBondContact O-ND2 3.37Å; N271-Y275 WeakPolarHBondContact O-CB 3.43Å
272G93.4Very high91Very high1 Ų161 Ų611%0.0131%0.307CS..SBendtrans86.7160.7-177.500000113.8G234 E256 P274 Y275 L276G234-G272 WeakPolarHBondContact O-CA 3.33Å; G234-G272 PolarHBondContact O-N 2.82Å; E256-G272 VanDerWaalsContact CD-CA 3.47Å; E256-G272 WeakPolarHBondContact OE1-CA 3.42Å; G272-P274 VanDerWaalsContact C-CD 3.45Å; G272-Y275 PolarHBondContact O-N 3.17Å; G272-Y275 VanDerWaalsContact O-N 3.11Å; G272-L276 PolarHBondContact O-N 2.91Å
273T93.1Very high91.1Very high3 Ų351.7 Ų51.72%0.01827%0.272CS..Hα-helixtrans-57.3-37.5-177.3-55.90000113.4I45 L253 E256 Y275 L276 T277I45-T273 HydrophobicContact CG1-CG2 4.13Å; L253-T273 HydrophobicContact CD2-CG2 4.02Å; E256-T273 VanDerWaalsContact CD-N 3.29Å; E256-T273 PolarHBondContact OE1-N 2.99Å; E256-T273 VanDerWaalsContact OE1-N 3.14Å; E256-T273 PolarHBondContact OE1-OG1 2.84Å; E256-T273 VanDerWaalsContact OE1-OG1 3.1Å; E256-T273 WeakPolarHBondContact OE2-CB 3.42Å; E256-T273 PolarHBondContact OE2-N 3Å; E256-T273 PolarHBondContact OE2-OG1 2.66Å; T273-Y275 PolarHBondContact O-N 3.21Å; T273-L276 PolarHBondContact O-N 3.13Å; T273-T277 WeakPolarHBondContact O-CB 3.45Å; T273-T277 PolarHBondContact O-N 3.3Å; T273-T277 PolarHBondContact O-OG1 3.07Å
274P92Very high91.3Very high68 Ų6848.1 Ų48.144%0.44225%0.253SS..Hα-helixtrans-66.1-34.1175.3-22.535.3000113.6L253 E256 G272 K278L253-P274 HydrophobicContact CD2-CG 4.36Å; E256-P274 WeakPolarHBondContact OE2-CD 3.3Å; G272-P274 VanDerWaalsContact C-CD 3.45Å; P274-K278 WeakPolarHBondContact O-CG 3.48Å; P274-K278 PolarHBondContact O-N 3.45Å
275Y93.8Very high91.2Very high79 Ų7948.5 Ų48.531%0.3126%0.256SS..Hα-helixtrans-73.2-44.4173.8179.7-90.4000111V233 E269 C270 N271 G272 T273 T277 K278 T279V233-Y275 HydrophobicContact CG1-CD1 4.07Å; V233-Y275 HydrophobicContact CG2-CD1 4.22Å; V233-Y275 HydrophobicContact CG2-CE1 4.13Å; E269-Y275 WeakPolarHBondContact O-CD2 3.33Å; C270-Y275 HydrophobicContact CB-CE2 4.39Å; C270-Y275 WeakPolarHBondContact O-CD1 3.41Å; C270-Y275 VanDerWaalsContact O-CE1 3.26Å; C270-Y275 WeakPolarHBondContact O-CE1 3.45Å; N271-Y275 WeakPolarHBondContact O-CB 3.43Å; G272-Y275 PolarHBondContact O-N 3.17Å; G272-Y275 VanDerWaalsContact O-N 3.11Å; T273-Y275 PolarHBondContact O-N 3.21Å; Y275-T277 VanDerWaalsContact C-N 3.34Å; Y275-T277 PolarHBondContact O-N 2.92Å; Y275-K278 PolarHBondContact O-N 2.97Å; Y275-T279 VanDerWaalsContact CE1-OG1 3.29Å; Y275-T279 WeakPolarHBondContact CE1-OG1 3.47Å; Y275-T279 VanDerWaalsContact O-CB 3.3Å; Y275-T279 WeakPolarHBondContact O-CB 3.35Å; Y275-T279 PolarHBondContact O-N 2.73Å; Y275-T279 PolarHBondContact O-OG1 3.36Å; Y275-T279 VanDerWaalsContact O-OG1 3.1Å
276L94.4Very high91.3Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-54.5-51175.5-179.858.8000110.8I41 I45 L202 V204 V233 V235 G272 T273 K278 T279 L280I41-L276 HydrophobicContact CG2-CD2 3.86Å; I45-L276 HydrophobicContact CD1-CD2 4.38Å; L202-L276 HydrophobicContact CD2-CD1 3.97Å; V204-L276 HydrophobicContact CG1-CD2 4.13Å; V204-L276 HydrophobicContact CG2-CD1 3.61Å; V204-L276 HydrophobicContact CG2-CD2 3.93Å; V204-L276 HydrophobicContact CG2-CG 4.46Å; V233-L276 HydrophobicContact CB-CD1 4.24Å; V233-L276 HydrophobicContact CG1-CB 4.03Å; V233-L276 HydrophobicContact CG1-CD1 4.37Å; V233-L276 HydrophobicContact CG2-CD1 4.34Å; V235-L276 HydrophobicContact CG1-CB 4.48Å; V235-L276 HydrophobicContact CG1-CD2 4Å; G272-L276 PolarHBondContact O-N 2.91Å; T273-L276 PolarHBondContact O-N 3.13Å; L276-K278 PolarHBondContact O-N 3.4Å; L276-T279 CarbonylContact O-C 3.57Å; L276-T279 PolarHBondContact O-N 3.14Å; L276-T279 VanDerWaalsContact O-N 3.11Å; L276-L280 HydrophobicContact CD1-CD1 3.9Å; L276-L280 HydrophobicContact CD1-CD2 4.23Å; L276-L280 HydrophobicContact CD1-CG 3.84Å; L276-L280 HydrophobicContact CD2-CD1 4.49Å; L276-L280 HydrophobicContact CG-CD1 3.81Å; L276-L280 HydrophobicContact CG-CG 4.18Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.39Å; L276-L280 PolarHBondContact O-N 3.44Å
277T92.3Very high91.3Very high18 Ų1845.9 Ų45.911%0.1123%0.225CC..Hα-helixtrans-57.7-46.4-178.3-58.20000112.3I45 V131 T273 Y275 N281I45-T277 HydrophobicContact CG2-CG2 4.2Å; V131-T277 HydrophobicContact CG1-CG2 4.26Å; V131-T277 HydrophobicContact CG2-CG2 3.5Å; V131-T277 VanDerWaalsContact CG2-CG2 3.5Å; T273-T277 WeakPolarHBondContact O-CB 3.45Å; T273-T277 PolarHBondContact O-N 3.3Å; T273-T277 PolarHBondContact O-OG1 3.07Å; Y275-T277 VanDerWaalsContact C-N 3.34Å; Y275-T277 PolarHBondContact O-N 2.92Å; T277-N281 PolarHBondContact O-N 3.01Å; T277-N281 VanDerWaalsContact O-N 3.11Å
278K92.3Very high91.3Very high148 Ų14844.8 Ų44.864%0.64322%0.219SC*.Hα-helixtrans-65.5-39.9175.6-70.3173.8-178.4177.80112.2P274 Y275 L276 R282P274-K278 WeakPolarHBondContact O-CG 3.48Å; P274-K278 PolarHBondContact O-N 3.45Å; Y275-K278 PolarHBondContact O-N 2.97Å; L276-K278 PolarHBondContact O-N 3.4Å; K278-R282 WeakPolarHBondContact O-CB 3.48Å; K278-R282 PolarHBondContact O-N 3.16Å
279T93.2Very high91.4Very high7 Ų747.9 Ų47.94%0.04323%0.228CC..Hα-helixtrans-68.1-42.2179.2-70.20000111.7L202 Y275 L276 R282 L283L202-T279 HydrophobicContact CD2-CG2 4.5Å; Y275-T279 VanDerWaalsContact CE1-OG1 3.29Å; Y275-T279 WeakPolarHBondContact CE1-OG1 3.47Å; Y275-T279 VanDerWaalsContact O-CB 3.3Å; Y275-T279 WeakPolarHBondContact O-CB 3.35Å; Y275-T279 PolarHBondContact O-N 2.73Å; Y275-T279 PolarHBondContact O-OG1 3.36Å; Y275-T279 VanDerWaalsContact O-OG1 3.1Å; L276-T279 CarbonylContact O-C 3.57Å; L276-T279 PolarHBondContact O-N 3.14Å; L276-T279 VanDerWaalsContact O-N 3.11Å; T279-R282 PolarHBondContact O-N 3.24Å; T279-L283 HydrophobicContact CG2-CD1 3.67Å; T279-L283 HydrophobicContact CG2-CG 4.25Å; T279-L283 WeakPolarHBondContact O-CB 3.29Å; T279-L283 WeakPolarHBondContact O-CG 3.27Å; T279-L283 PolarHBondContact O-N 3.07Å
280L94Very high91.3Very high0 Ų044.1 Ų44.10%021%0.214CC..Hα-helixtrans-61.8-45.7174.7-69.7176.2000111.8I28 I45 L133 L135 L173 L202 L276 L283 L284I28-L280 HydrophobicContact CD1-CB 3.98Å; I28-L280 HydrophobicContact CD1-CD2 4.02Å; I28-L280 HydrophobicContact CG2-CD2 4.28Å; I45-L280 HydrophobicContact CD1-CD1 3.85Å; L133-L280 HydrophobicContact CD1-CB 3.92Å; L133-L280 HydrophobicContact CD2-CB 4.18Å; L133-L280 HydrophobicContact CD2-CD1 4.47Å; L135-L280 HydrophobicContact CD2-CD1 4.38Å; L173-L280 HydrophobicContact CD1-CD2 3.91Å; L173-L280 HydrophobicContact CD2-CD1 4.29Å; L173-L280 HydrophobicContact CD2-CD2 4.38Å; L202-L280 HydrophobicContact CD2-CD2 3.61Å; L202-L280 HydrophobicContact CD2-CG 4.48Å; L276-L280 HydrophobicContact CD1-CD1 3.9Å; L276-L280 HydrophobicContact CD1-CD2 4.23Å; L276-L280 HydrophobicContact CD1-CG 3.84Å; L276-L280 HydrophobicContact CD2-CD1 4.49Å; L276-L280 HydrophobicContact CG-CD1 3.81Å; L276-L280 HydrophobicContact CG-CG 4.18Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.39Å; L276-L280 PolarHBondContact O-N 3.44Å; L280-L283 PolarHBondContact O-N 3.49Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 PolarHBondContact O-N 3.29Å
281N91.3Very high91.2Very high32 Ų3242.4 Ų42.417%0.17120%0.2CC..Hα-helixtrans-59-49.3174165.7-86.7000111.5V131 N132 L133 T277 L283 L284 M285V131-N281 HydrophobicContact CG2-CB 3.98Å; N132-N281 PolarHBondContact O-ND2 2.91Å; L133-N281 HydrophobicContact CD1-CB 4.37Å; T277-N281 PolarHBondContact O-N 3.01Å; T277-N281 VanDerWaalsContact O-N 3.11Å; N281-L283 PolarHBondContact O-N 2.93Å; N281-L284 PolarHBondContact O-N 3.33Å; N281-M285 VanDerWaalsContact O-CB 3.3Å; N281-M285 WeakPolarHBondContact O-CB 3.45Å; N281-M285 VanDerWaalsContact O-CG 3.22Å; N281-M285 WeakPolarHBondContact O-CG 3.44Å; N281-M285 PolarHBondContact O-N 3.01Å
282R92.2Very high90.8Very high123 Ų12342.7 Ų42.746%0.46420%0.202SC..Hα-helixtrans-59-45.4178.2-179.2-178.961.276.3-2112.4K278 T279 M285 Q286K278-R282 WeakPolarHBondContact O-CB 3.48Å; K278-R282 PolarHBondContact O-N 3.16Å; T279-R282 PolarHBondContact O-N 3.24Å; R282-M285 PolarHBondContact O-N 3.44Å; R282-Q286 PolarHBondContact O-N 3.33Å
283L92.8Very high90.5Very high15 Ų1546.4 Ų46.48%0.07923%0.225CC..Hα-helixtrans-65.5-47.1179.4-72.7169.9000111.2I171 L202 L230 T279 L280 N281 M285 Q286 H287I171-L283 HydrophobicContact CD1-CB 4.18Å; L202-L283 HydrophobicContact CD1-CD1 4.32Å; L202-L283 HydrophobicContact CD2-CD1 4.07Å; L230-L283 HydrophobicContact CB-CD1 4.46Å; L230-L283 HydrophobicContact CD1-CD1 4.26Å; L230-L283 HydrophobicContact CD1-CD2 4.39Å; L230-L283 HydrophobicContact CD2-CD2 3.92Å; T279-L283 HydrophobicContact CG2-CD1 3.67Å; T279-L283 HydrophobicContact CG2-CG 4.25Å; T279-L283 WeakPolarHBondContact O-CB 3.29Å; T279-L283 WeakPolarHBondContact O-CG 3.27Å; T279-L283 PolarHBondContact O-N 3.07Å; L280-L283 PolarHBondContact O-N 3.49Å; N281-L283 PolarHBondContact O-N 2.93Å; L283-M285 PolarHBondContact O-N 3.06Å; L283-Q286 PolarHBondContact O-N 3.46Å; L283-H287 WeakPolarHBondContact O-CB 3.48Å; L283-H287 PolarHBondContact O-N 3.32Å
284L91.1Very high90.2Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-60.5-44.2176-176.661.4000111.3I5 I28 L133 L280 N281 Q286 H287 I288I5-L284 HydrophobicContact CD1-CD2 4.03Å; I5-L284 HydrophobicContact CD1-CG 4.47Å; I5-L284 HydrophobicContact CG1-CD2 4.27Å; I28-L284 HydrophobicContact CD1-CB 3.86Å; I28-L284 HydrophobicContact CD1-CD2 4.38Å; I28-L284 HydrophobicContact CD1-CG 4.48Å; I28-L284 HydrophobicContact CG1-CD1 4.47Å; L133-L284 HydrophobicContact CD1-CB 4.4Å; L133-L284 HydrophobicContact CD1-CD2 3.95Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 PolarHBondContact O-N 3.29Å; N281-L284 PolarHBondContact O-N 3.33Å; L284-Q286 PolarHBondContact O-N 2.95Å; L284-H287 PolarHBondContact O-N 3.23Å; L284-I288 HydrophobicContact CD1-CD1 4.02Å; L284-I288 HydrophobicContact CD1-CG1 4.11Å; L284-I288 HydrophobicContact CD2-CD1 4.42Å; L284-I288 HydrophobicContact CG-CD1 3.75Å; L284-I288 HydrophobicContact CG-CG1 4.28Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 3.38Å
285M88.2Confident89.9Confident24 Ų2448.7 Ų48.712%0.11823%0.23CC..Hα-helixtrans-60.7-44178-78.4-68.5-75.300113.1M1 L4 I5 N281 R282 L283 K289M1-M285 HydrophobicContact CB-CE 3.89Å; M1-M285 WeakPolarHBondContact O-CE 3.29Å; L4-M285 HydrophobicContact CB-CE 4.16Å; L4-M285 HydrophobicContact CB-SD 3.93Å; L4-M285 HydrophobicContact CD1-CE 4.01Å; L4-M285 HydrophobicContact CD1-SD 4.48Å; L4-M285 HydrophobicContact CG-CE 4.43Å; I5-M285 HydrophobicContact CD1-CG 3.96Å; I5-M285 HydrophobicContact CD1-SD 3.73Å; I5-M285 HydrophobicContact CG1-SD 3.77Å; N281-M285 VanDerWaalsContact O-CB 3.3Å; N281-M285 WeakPolarHBondContact O-CB 3.45Å; N281-M285 VanDerWaalsContact O-CG 3.22Å; N281-M285 WeakPolarHBondContact O-CG 3.44Å; N281-M285 PolarHBondContact O-N 3.01Å; R282-M285 PolarHBondContact O-N 3.44Å; L283-M285 PolarHBondContact O-N 3.06Å; M285-K289 VanDerWaalsContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CB 3.49Å; M285-K289 PolarHBondContact O-N 3.39Å; M285-K289 VanDerWaalsContact O-N 3.08Å
286Q89.4Confident89.6Confident102 Ų10248.4 Ų48.448%0.47723%0.229SC..Hα-helixtrans-64.5-47.6173.9-179.4176.1-18.200111R282 L283 L284 I288 K289 D290R282-Q286 PolarHBondContact O-N 3.33Å; L283-Q286 PolarHBondContact O-N 3.46Å; L284-Q286 PolarHBondContact O-N 2.95Å; Q286-I288 PolarHBondContact O-N 3.26Å; Q286-K289 WeakPolarHBondContact O-CA 3.33Å; Q286-K289 WeakPolarHBondContact O-CB 3.41Å; Q286-K289 PolarHBondContact O-N 3.43Å; Q286-D290 WeakPolarHBondContact CG-OD2 3.26Å; Q286-D290 VanDerWaalsContact O-CG 3.28Å; Q286-D290 PolarHBondContact O-N 3.41Å
287H89.9Confident89.3Confident32 Ų3251.4 Ų51.415%0.14825%0.249CC..Hα-helixtrans-66.1-36.4-177-168-111.7000113.4S169 I171 L283 L284 N291S169-H287 PolarHBondContact O-CE1 3.35Å; I171-H287 HydrophobicContact CD1-CB 3.77Å; I171-H287 HydrophobicContact CG1-CB 4.29Å; L283-H287 WeakPolarHBondContact O-CB 3.48Å; L283-H287 PolarHBondContact O-N 3.32Å; L284-H287 PolarHBondContact O-N 3.23Å; H287-N291 PolarHBondContact CD2-ND2 2.93Å; H287-N291 VanDerWaalsContact CD2-ND2 3.34Å; H287-N291 PolarHBondContact CE1-ND2 2.94Å; H287-N291 VanDerWaalsContact CE1-ND2 3.33Å; H287-N291 PolarHBondContact NE2-ND2 3.37Å; H287-N291 VanDerWaalsContact NE2-ND2 3.11Å; H287-N291 WeakPolarHBondContact O-CB 3.28Å; H287-N291 PolarHBondContact O-N 3.37Å; H287-N291 VanDerWaalsContact O-N 3.11Å; H287-N291 PolarHBondContact O-ND2 2.69Å
288I87.8Confident89.1Confident3 Ų353.1 Ų53.12%0.01526%0.256CS..Hα-helixtrans-60.8-49.9167.7-70.4167.1000109.8L4 I5 V8 P26 L284 Q286 D290 N291 L292L4-I288 HydrophobicContact CB-CG2 4.2Å; I5-I288 HydrophobicContact CG1-CD1 3.62Å; V8-I288 HydrophobicContact CB-CD1 4.42Å; V8-I288 HydrophobicContact CG2-CD1 3.85Å; V8-I288 HydrophobicContact CG2-CG1 3.93Å; V8-I288 HydrophobicContact CG2-CG2 3.86Å; P26-I288 HydrophobicContact CB-CG1 3.73Å; P26-I288 HydrophobicContact CG-CG1 4.34Å; L284-I288 HydrophobicContact CD1-CD1 4.02Å; L284-I288 HydrophobicContact CD1-CG1 4.11Å; L284-I288 HydrophobicContact CD2-CD1 4.42Å; L284-I288 HydrophobicContact CG-CD1 3.75Å; L284-I288 HydrophobicContact CG-CG1 4.28Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 3.38Å; Q286-I288 PolarHBondContact O-N 3.26Å; I288-D290 PolarHBondContact O-N 3.24Å; I288-N291 PolarHBondContact O-N 3.2Å; I288-L292 WeakPolarHBondContact O-CB 3.4Å; I288-L292 PolarHBondContact O-N 3.22Å
289K86.5Confident88.9Confident103 Ų10346.1 Ų46.145%0.44823%0.226SC..Hα-helixtrans-56.9-39.6-176168-172.9171.1-1700112.2L4 M285 Q286L4-K289 HydrophobicContact CD1-CB 4.46Å; M285-K289 VanDerWaalsContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CB 3.49Å; M285-K289 PolarHBondContact O-N 3.39Å; M285-K289 VanDerWaalsContact O-N 3.08Å; Q286-K289 WeakPolarHBondContact O-CA 3.33Å; Q286-K289 WeakPolarHBondContact O-CB 3.41Å; Q286-K289 PolarHBondContact O-N 3.43Å
290D87.8Confident88.8Confident93 Ų9349.6 Ų49.650%0.49724%0.243SC..Hα-helixtrans-86.3-32.1-173.2-60.4-21.9000112.4Q286 I288 P293Q286-D290 WeakPolarHBondContact CG-OD2 3.26Å; Q286-D290 VanDerWaalsContact O-CG 3.28Å; Q286-D290 PolarHBondContact O-N 3.41Å; I288-D290 PolarHBondContact O-N 3.24Å; D290-P293 WeakPolarHBondContact O-CD 3.46Å
291N87.2Confident88.7Confident29 Ų2955.6 Ų55.616%0.15528%0.275CS..Hα-helixtrans-82.4-22.5175.5-77.7-77000114.7P26 H287 I288 P293 H294 L295P26-N291 HydrophobicContact CG-CB 3.97Å; H287-N291 PolarHBondContact CD2-ND2 2.93Å; H287-N291 VanDerWaalsContact CD2-ND2 3.34Å; H287-N291 PolarHBondContact CE1-ND2 2.94Å; H287-N291 VanDerWaalsContact CE1-ND2 3.33Å; H287-N291 PolarHBondContact NE2-ND2 3.37Å; H287-N291 VanDerWaalsContact NE2-ND2 3.11Å; H287-N291 WeakPolarHBondContact O-CB 3.28Å; H287-N291 PolarHBondContact O-N 3.37Å; H287-N291 VanDerWaalsContact O-N 3.11Å; H287-N291 PolarHBondContact O-ND2 2.69Å; I288-N291 PolarHBondContact O-N 3.2Å; N291-P293 VanDerWaalsContact C-CD 3.41Å; N291-H294 WeakPolarHBondContact O-CB 3.3Å; N291-H294 PolarHBondContact O-N 2.99Å; N291-L295 PolarHBondContact O-N 3.31Å
292L85Confident88.5Confident17 Ų1756.3 Ų56.39%0.08928%0.277CS..Hα-helixtrans-49.8-42.6-178-135.9168.2000114.7L4 I288 H294 L295 R296 I706 V709L4-L292 HydrophobicContact CD2-CD1 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.4Å; I288-L292 PolarHBondContact O-N 3.22Å; L292-H294 VanDerWaalsContact C-N 3.32Å; L292-H294 PolarHBondContact O-N 3.33Å; L292-L295 PolarHBondContact O-N 3.32Å; L292-R296 WeakPolarHBondContact O-CB 3.47Å; L292-R296 PolarHBondContact O-N 3.02Å; L292-I706 HydrophobicContact CD2-CB 4.38Å; L292-I706 HydrophobicContact CD2-CD1 4.48Å; L292-I706 HydrophobicContact CD2-CG1 4.02Å; L292-I706 HydrophobicContact CD2-CG2 3.82Å; L292-V709 HydrophobicContact CD1-CB 4.28Å; L292-V709 HydrophobicContact CD1-CG1 3.64Å; L292-V709 HydrophobicContact CD1-CG2 4.35Å
293P85.9Confident88.4Confident78 Ų7851.2 Ų51.251%0.50626%0.258SS..Hα-helixtrans-62.5-36.2176.2-22.235.1000113.3D290 N291 S297D290-P293 WeakPolarHBondContact O-CD 3.46Å; N291-P293 VanDerWaalsContact C-CD 3.41Å; P293-S297 PolarHBondContact O-N 3.49Å; P293-S297 PolarHBondContact O-OG 2.94Å
294H87.2Confident88.4Confident111 Ų11152.9 Ų52.951%0.51427%0.274SS..Hα-helixtrans-71-46.4176-171.3-8.2000110.7N291 L292 R296 S297 Q298N291-H294 WeakPolarHBondContact O-CB 3.3Å; N291-H294 PolarHBondContact O-N 2.99Å; L292-H294 VanDerWaalsContact C-N 3.32Å; L292-H294 PolarHBondContact O-N 3.33Å; H294-R296 VanDerWaalsContact C-N 3.32Å; H294-R296 PolarHBondContact O-N 2.67Å; H294-S297 WeakPolarHBondContact O-CA 3.36Å; H294-S297 WeakPolarHBondContact O-CB 3.48Å; H294-S297 PolarHBondContact O-N 3.42Å; H294-Q298 PolarHBondContact CE1-NE2 2.99Å; H294-Q298 VanDerWaalsContact CE1-NE2 3.28Å; H294-Q298 PolarHBondContact ND1-NE2 3.12Å; H294-Q298 PolarHBondContact O-N 3.08Å
295L86.2Confident88.3Confident8 Ų856.3 Ų56.34%0.04229%0.29CS..Hα-helixtrans-56.9-44.4177.5-177.964.6000111.7L11 I23 L25 N291 L292 S297 Q298 I299 I706L11-L295 HydrophobicContact CD1-CD2 4.15Å; I23-L295 HydrophobicContact CG2-CD1 3.46Å; I23-L295 VanDerWaalsContact CG2-CD1 3.46Å; L25-L295 HydrophobicContact CD2-CD1 4.04Å; L25-L295 HydrophobicContact CD2-CD2 3.64Å; L25-L295 HydrophobicContact CD2-CG 4.5Å; N291-L295 PolarHBondContact O-N 3.31Å; L292-L295 PolarHBondContact O-N 3.32Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.19Å; L295-Q298 PolarHBondContact O-N 2.69Å; L295-I299 HydrophobicContact CD1-CD1 4.21Å; L295-I299 HydrophobicContact CG-CD1 4.08Å; L295-I299 PolarHBondContact O-N 3.17Å; L295-I706 HydrophobicContact CD2-CD1 4.11Å; L295-I706 HydrophobicContact CG-CD1 4.06Å
296R86.7Confident88.3Confident74 Ų7456.7 Ų56.728%0.27929%0.292SS..Hα-helixtrans-56.4-44.4173-175.2175.1178.8120.73.5112L292 H294 I299 L300 I706L292-R296 WeakPolarHBondContact O-CB 3.47Å; L292-R296 PolarHBondContact O-N 3.02Å; H294-R296 VanDerWaalsContact C-N 3.32Å; H294-R296 PolarHBondContact O-N 2.67Å; R296-I299 PolarHBondContact O-N 2.88Å; R296-L300 HydrophobicContact CG-CD1 4Å; R296-L300 VanDerWaalsContact O-CG 3.31Å; R296-L300 WeakPolarHBondContact O-CG 3.46Å; R296-L300 PolarHBondContact O-N 3.13Å; R296-I706 HydrophobicContact CB-CG2 3.72Å; R296-I706 HydrophobicContact CG-CG2 3.66Å
297S88.6Confident88.2Confident62 Ų6255.9 Ų55.943%0.43429%0.288SS..Hα-helixtrans-67.7-39-179.2-55.80000111.8P293 H294 L295 L300 L301P293-S297 PolarHBondContact O-N 3.49Å; P293-S297 PolarHBondContact O-OG 2.94Å; H294-S297 WeakPolarHBondContact O-CA 3.36Å; H294-S297 WeakPolarHBondContact O-CB 3.48Å; H294-S297 PolarHBondContact O-N 3.42Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.19Å; S297-L300 PolarHBondContact O-N 3.36Å; S297-L301 VanDerWaalsContact O-CG 3.29Å; S297-L301 WeakPolarHBondContact O-CG 3.19Å; S297-L301 PolarHBondContact O-N 3.29Å
298Q88.1Confident88.1Confident55 Ų5561 Ų6126%0.25731%0.312SS..Hα-helixtrans-62-46.6173.5-66.3-175.433.800111.8H294 L295 L300 L301 K302H294-Q298 PolarHBondContact CE1-NE2 2.99Å; H294-Q298 VanDerWaalsContact CE1-NE2 3.28Å; H294-Q298 PolarHBondContact ND1-NE2 3.12Å; H294-Q298 PolarHBondContact O-N 3.08Å; L295-Q298 PolarHBondContact O-N 2.69Å; Q298-L300 PolarHBondContact O-N 3.04Å; Q298-L301 PolarHBondContact O-N 3.15Å; Q298-K302 WeakPolarHBondContact O-CB 3.17Å; Q298-K302 WeakPolarHBondContact O-CG 3.29Å; Q298-K302 PolarHBondContact O-N 3.45Å
299I88.3Confident87.9Confident0 Ų064.4 Ų64.40%033%0.329CS..Hα-helixtrans-63.2-42.9179.2-73162000111.1I23 L295 R296 L301 K302 I303 A702 I706I23-I299 HydrophobicContact CD1-CG1 3.9Å; I23-I299 HydrophobicContact CG2-CG1 4.38Å; L295-I299 HydrophobicContact CD1-CD1 4.21Å; L295-I299 HydrophobicContact CG-CD1 4.08Å; L295-I299 PolarHBondContact O-N 3.17Å; R296-I299 PolarHBondContact O-N 2.88Å; I299-L301 PolarHBondContact O-N 2.92Å; I299-K302 PolarHBondContact O-N 3.46Å; I299-I303 HydrophobicContact CG2-CD1 3.91Å; I299-I303 HydrophobicContact CG2-CG1 4.47Å; I299-I303 VanDerWaalsContact O-CG1 3.29Å; I299-I303 WeakPolarHBondContact O-CG1 3.25Å; I299-I303 PolarHBondContact O-N 3.12Å; I299-A702 HydrophobicContact CD1-CB 4.21Å; I299-I706 HydrophobicContact CD1-CD1 3.44Å; I299-I706 VanDerWaalsContact CD1-CD1 3.44Å
300L90.5Very high87.7Confident80 Ų8060.9 Ų60.942%0.41931%0.314SS..Hα-helixtrans-65-38.5177.1-70.8171.3000112.8R296 S297 Q298 I303 A304R296-L300 HydrophobicContact CG-CD1 4Å; R296-L300 VanDerWaalsContact O-CG 3.31Å; R296-L300 WeakPolarHBondContact O-CG 3.46Å; R296-L300 PolarHBondContact O-N 3.13Å; S297-L300 PolarHBondContact O-N 3.36Å; Q298-L300 PolarHBondContact O-N 3.04Å; L300-I303 HydrophobicContact CD2-CD1 4.45Å; L300-I303 PolarHBondContact O-N 3.32Å; L300-A304 PolarHBondContact O-N 3.39Å; L300-A304 VanDerWaalsContact O-N 3.12Å
301L91.5Very high87.3Confident127 Ų12761.3 Ų61.367%0.66532%0.317SS*.Hα-helixtrans-64.5-43.1172.9-72.4168.3000111.5S297 Q298 I299 I303 A304 E305S297-L301 VanDerWaalsContact O-CG 3.29Å; S297-L301 WeakPolarHBondContact O-CG 3.19Å; S297-L301 PolarHBondContact O-N 3.29Å; Q298-L301 PolarHBondContact O-N 3.15Å; I299-L301 PolarHBondContact O-N 2.92Å; L301-I303 PolarHBondContact O-N 2.98Å; L301-A304 PolarHBondContact O-N 3.31Å; L301-E305 PolarHBondContact O-N 3.25Å
302K88.2Confident86.9Confident47 Ų4764.8 Ų64.820%0.20434%0.335CS..Hα-helixtrans-65.2-36.6176.5-75.8-79.5158.1-166.40112.4Q22 I23 Q298 I299 E305 H306 L699Q22-K302 VanDerWaalsContact OE1-NZ 3.14Å; I23-K302 HydrophobicContact CD1-CG 4.33Å; Q298-K302 WeakPolarHBondContact O-CB 3.17Å; Q298-K302 WeakPolarHBondContact O-CG 3.29Å; Q298-K302 PolarHBondContact O-N 3.45Å; I299-K302 PolarHBondContact O-N 3.46Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.23Å; K302-E305 WeakPolarHBondContact CE-OE2 3.16Å; K302-E305 IonicContact NZ-OE1 2.67Å; K302-E305 IonicContact NZ-OE2 2.77Å; K302-E305 PolarHBondContact NZ-OE2 2.86Å; K302-E305 PolarHBondContact O-N 3.24Å; K302-H306 PolarHBondContact O-N 2.91Å; K302-H306 PolarHBondContact O-ND1 3.35Å; K302-L699 HydrophobicContact CB-CD1 4.04Å; K302-L699 HydrophobicContact CB-CD2 4.38Å
303I90.1Very high86.5Confident16 Ų1667.4 Ų67.48%0.08234%0.344CS..Hα-helixtrans-59.5-48.4171.8-74.2167.3000110.5I299 L300 L301 E305 H306 Q307 L696 L699 Q700I299-I303 HydrophobicContact CG2-CD1 3.91Å; I299-I303 HydrophobicContact CG2-CG1 4.47Å; I299-I303 VanDerWaalsContact O-CG1 3.29Å; I299-I303 WeakPolarHBondContact O-CG1 3.25Å; I299-I303 PolarHBondContact O-N 3.12Å; L300-I303 HydrophobicContact CD2-CD1 4.45Å; L300-I303 PolarHBondContact O-N 3.32Å; L301-I303 PolarHBondContact O-N 2.98Å; I303-E305 PolarHBondContact O-N 2.98Å; I303-H306 PolarHBondContact O-N 3.4Å; I303-Q307 HydrophobicContact CG2-CG 4.41Å; I303-Q307 WeakPolarHBondContact O-CB 3.37Å; I303-Q307 VanDerWaalsContact O-CG 3.27Å; I303-Q307 WeakPolarHBondContact O-CG 3.36Å; I303-Q307 PolarHBondContact O-N 2.69Å; I303-L696 HydrophobicContact CB-CD1 4.41Å; I303-L696 HydrophobicContact CG1-CD1 4.42Å; I303-L696 HydrophobicContact CG2-CD1 4.02Å; I303-L699 HydrophobicContact CD1-CB 4.35Å; I303-L699 HydrophobicContact CG1-CB 3.71Å; I303-Q700 HydrophobicContact CD1-CG 4.42Å
304A91.6Very high85.8Confident50 Ų5064.4 Ų64.441%0.41333%0.327SS..Hα-helixtrans-63.4-41.4179.300000112.5L300 L301 Q307 Q308L300-A304 PolarHBondContact O-N 3.39Å; L300-A304 VanDerWaalsContact O-N 3.12Å; L301-A304 PolarHBondContact O-N 3.31Å; A304-Q307 PolarHBondContact O-N 2.79Å; A304-Q308 PolarHBondContact O-N 3.43Å
305E89.7Confident85.2Confident72 Ų7266.3 Ų66.334%0.33633%0.334SS..Hα-helixtrans-58.7-48.7174-177.6-177.3-172.500111.7L301 K302 I303 Q307 Q308 M309L301-E305 PolarHBondContact O-N 3.25Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.23Å; K302-E305 WeakPolarHBondContact CE-OE2 3.16Å; K302-E305 IonicContact NZ-OE1 2.67Å; K302-E305 IonicContact NZ-OE2 2.77Å; K302-E305 PolarHBondContact NZ-OE2 2.86Å; K302-E305 PolarHBondContact O-N 3.24Å; I303-E305 PolarHBondContact O-N 2.98Å; E305-Q307 PolarHBondContact O-N 3.36Å; E305-Q308 PolarHBondContact O-N 3.05Å; E305-M309 HydrophobicContact CG-CE 3.83Å; E305-M309 WeakPolarHBondContact O-CG 3.46Å; E305-M309 PolarHBondContact O-N 2.89Å
306H87.1Confident84.4Confident31 Ų3168.4 Ų68.414%0.14435%0.348CS..Hα-helixtrans-70.2-31.5179.7-72.170.4000112.6K302 I303 M309 L310 I692 T695 L696K302-H306 PolarHBondContact O-N 2.91Å; K302-H306 PolarHBondContact O-ND1 3.35Å; I303-H306 PolarHBondContact O-N 3.4Å; H306-M309 PolarHBondContact O-N 2.98Å; H306-L310 WeakPolarHBondContact O-CB 3.23Å; H306-L310 PolarHBondContact O-N 2.91Å; H306-I692 HydrophobicContact CB-CG2 4.3Å; H306-I692 WeakPolarHBondContact O-CG2 3.26Å; H306-T695 WeakPolarHBondContact NE2-CG2 3.24Å; H306-L696 HydrophobicContact CB-CD1 4.25Å
307Q89.1Confident83.7Confident86 Ų8666.6 Ų66.640%0.40235%0.346SS..Hα-helixtrans-65.4-44.3171-76.3172.3-2100111.6I303 A304 E305 M309 L310 D311 L696I303-Q307 HydrophobicContact CG2-CG 4.41Å; I303-Q307 WeakPolarHBondContact O-CB 3.37Å; I303-Q307 VanDerWaalsContact O-CG 3.27Å; I303-Q307 WeakPolarHBondContact O-CG 3.36Å; I303-Q307 PolarHBondContact O-N 2.69Å; A304-Q307 PolarHBondContact O-N 2.79Å; E305-Q307 PolarHBondContact O-N 3.36Å; Q307-M309 VanDerWaalsContact C-N 3.33Å; Q307-M309 PolarHBondContact O-N 3.24Å; Q307-L310 WeakPolarHBondContact O-CB 3.4Å; Q307-L310 PolarHBondContact O-N 3.49Å; Q307-L310 VanDerWaalsContact O-N 3.16Å; Q307-D311 PolarHBondContact O-N 3.04Å; Q307-L696 HydrophobicContact CG-CD1 3.95Å; Q307-L696 HydrophobicContact CG-CD2 3.96Å
308Q86.4Confident83Confident139 Ų13971.5 Ų71.565%0.6537%0.365SS*.Hα-helixtrans-62.9-39.3175.3-173.6179.2-0.500111.8A304 E305 D311 L312A304-Q308 PolarHBondContact O-N 3.43Å; E305-Q308 PolarHBondContact O-N 3.05Å; Q308-D311 PolarHBondContact O-N 2.96Å; Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 2.65Å
309M83.8Confident82.8Confident75 Ų7572.3 Ų72.337%0.36937%0.371SS..Hα-helixtrans-64.6-40.8172.5-67.9179.1-176.700111.9E305 H306 Q307 D311 L312 Y313 I692E305-M309 HydrophobicContact CG-CE 3.83Å; E305-M309 WeakPolarHBondContact O-CG 3.46Å; E305-M309 PolarHBondContact O-N 2.89Å; H306-M309 PolarHBondContact O-N 2.98Å; Q307-M309 VanDerWaalsContact C-N 3.33Å; Q307-M309 PolarHBondContact O-N 3.24Å; M309-D311 PolarHBondContact O-N 3.42Å; M309-L312 WeakPolarHBondContact O-CB 3.29Å; M309-L312 PolarHBondContact O-N 3.28Å; M309-L312 VanDerWaalsContact O-N 3.14Å; M309-Y313 VanDerWaalsContact O-CD2 3.25Å; M309-Y313 WeakPolarHBondContact O-CD2 3.22Å; M309-Y313 PolarHBondContact O-N 2.96Å; M309-I692 HydrophobicContact CB-CD1 4.03Å
310L82.9Confident82.6Confident28 Ų2875.5 Ų75.515%0.14739%0.385CS..Hα-helixtrans-63.7-38.6177.2-175.559.2000112.3H306 Q307 L312 Y313 G314 R689 I692 M693 L696H306-L310 WeakPolarHBondContact O-CB 3.23Å; H306-L310 PolarHBondContact O-N 2.91Å; Q307-L310 WeakPolarHBondContact O-CB 3.4Å; Q307-L310 PolarHBondContact O-N 3.49Å; Q307-L310 VanDerWaalsContact O-N 3.16Å; L310-L312 PolarHBondContact O-N 3.37Å; L310-Y313 PolarHBondContact O-N 2.92Å; L310-G314 PolarHBondContact O-N 3.29Å; L310-R689 HydrophobicContact CD1-CG 3.79Å; L310-I692 HydrophobicContact CB-CG2 4.08Å; L310-M693 HydrophobicContact CD1-CG 3.85Å; L310-M693 HydrophobicContact CD1-SD 4.41Å; L310-M693 HydrophobicContact CD2-CG 4.23Å; L310-L696 HydrophobicContact CD2-CD2 3.95Å
311D79.7Confident82.5Confident102 Ų10273.7 Ų73.755%0.54538%0.378SS..Hα-helixtrans-68.2-19.4174.7-82.1-27.1000113.5Q307 Q308 M309Q307-D311 PolarHBondContact O-N 3.04Å; Q308-D311 PolarHBondContact O-N 2.96Å; M309-D311 PolarHBondContact O-N 3.42Å
312L77.7Confident82.3Confident103 Ų10372.8 Ų72.854%0.53937%0.37SS..Hα-helixtrans-78.3-39.1171.8-68.3172.2000112.6Q308 M309 L310Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 2.65Å; M309-L312 WeakPolarHBondContact O-CB 3.29Å; M309-L312 PolarHBondContact O-N 3.28Å; M309-L312 VanDerWaalsContact O-N 3.14Å; L310-L312 PolarHBondContact O-N 3.37Å
313Y76.2Confident82.3Confident71 Ų7171.7 Ų71.728%0.27837%0.368SS..Hα-helixtrans-81.2-20.2174.9-67.2-69.1000113.3M309 L310 V685 Q688 I692M309-Y313 VanDerWaalsContact O-CD2 3.25Å; M309-Y313 WeakPolarHBondContact O-CD2 3.22Å; M309-Y313 PolarHBondContact O-N 2.96Å; L310-Y313 PolarHBondContact O-N 2.92Å; Y313-V685 HydrophobicContact CD1-CB 4.38Å; Y313-V685 HydrophobicContact CD1-CG1 4.04Å; Y313-V685 HydrophobicContact CD1-CG2 4.21Å; Y313-Q688 HydrophobicContact CD1-CB 4.48Å; Y313-Q688 HydrophobicContact CE1-CB 3.98Å; Y313-Q688 HydrophobicContact CE1-CG 4.39Å; Y313-Q688 HydrophobicContact CE2-CB 4.11Å; Y313-I692 HydrophobicContact CD2-CD1 3.53Å; Y313-I692 HydrophobicContact CE2-CD1 3.43Å; Y313-I692 VanDerWaalsContact CE2-CD1 3.43Å
314G72.4Confident82.3Confident15 Ų1571 Ų7116%0.15536%0.364CS..  trans89158.7177.900000114.2L310 R689L310-G314 PolarHBondContact O-N 3.29Å; G314-R689 WeakPolarHBondContact O-CD 3.42Å
315K74.9Confident82.3Confident151 Ų15171.3 Ų71.366%0.65736%0.359SS*.  trans-71.9143179.1-63.1174.5-176.1175.50110.6R447K315-R447 PolarHBondContact O-NH1 2.76Å; K315-R447 VanDerWaalsContact O-NH1 3.1Å; K315-R447 PolarHBondContact O-NH2 2.72Å
316P69.2Low82.2Confident52 Ų5273.1 Ų73.134%0.33837%0.367SS..  trans-55.9144.2178.924.5-35.1000111.7I318 M693P316-I318 PolarHBondContact O-N 3.34Å; P316-I318 VanDerWaalsContact O-N 3.15Å; P316-M693 HydrophobicContact CG-CE 4.32Å; P316-M693 HydrophobicContact CG-SD 4.46Å
317V71.1Confident82.3Confident37 Ų3772.1 Ų72.122%0.22436%0.363CS..  trans-73.7105.4-179.9-173.40000109.7K320 T323 F448 L679V317-K320 HydrophobicContact CG1-CB 4.37Å; V317-K320 HydrophobicContact CG1-CG 3.68Å; V317-T323 HydrophobicContact CG1-CG2 4.34Å; V317-T323 HydrophobicContact CG2-CG2 4.38Å; V317-F448 HydrophobicContact CG2-CE1 3.95Å; V317-F448 HydrophobicContact CG2-CZ 3.66Å; V317-L679 HydrophobicContact CG1-CD1 4.44Å
318I73.5Confident82.4Confident165 Ų16568 Ų6885%0.84634%0.344SS*.SBendtrans-90.3-52.8174.8-57.5174.5000109.7P316P316-I318 PolarHBondContact O-N 3.34Å; P316-I318 VanDerWaalsContact O-N 3.15Å
319D83.8Confident82.6Confident72 Ų7264 Ų6439%0.38533%0.329SS..  trans-105.1103.8176.3-173.2-32.1000109.2P321 Q322 T323D319-P321 WeakPolarHBondContact OD1-CD 3.23Å; D319-Q322 HydrophobicContact CB-CB 3.86Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.39Å; D319-Q322 PolarHBondContact OD1-N 2.85Å; D319-T323 VanDerWaalsContact O-CB 3.3Å; D319-T323 WeakPolarHBondContact O-CB 3.48Å; D319-T323 PolarHBondContact O-N 2.83Å; D319-T323 PolarHBondContact O-OG1 2.92Å
320K85.1Confident82.9Confident67 Ų6764.5 Ų64.529%0.29133%0.327SS..Hα-helixtrans-63.7-53.2177.7-73-174.7-169.3-175.30111.9V317 Q322 T323 L324 L675 D676 L679V317-K320 HydrophobicContact CG1-CB 4.37Å; V317-K320 HydrophobicContact CG1-CG 3.68Å; K320-Q322 PolarHBondContact O-N 3.23Å; K320-T323 PolarHBondContact O-N 3.42Å; K320-L324 PolarHBondContact O-N 3.47Å; K320-L675 HydrophobicContact CB-CB 4.35Å; K320-D676 VanDerWaalsContact CD-OD1 3.25Å; K320-D676 WeakPolarHBondContact CD-OD1 3.24Å; K320-D676 IonicContact NZ-OD1 3.22Å; K320-D676 PolarHBondContact NZ-OD1 2.6Å; K320-D676 IonicContact NZ-OD2 3.61Å; K320-D676 PolarHBondContact NZ-OD2 2.9Å; K320-L679 HydrophobicContact CB-CD1 3.71Å; K320-L679 HydrophobicContact CG-CD1 3.97Å; K320-L679 VanDerWaalsContact O-CD1 3.29Å; K320-L679 WeakPolarHBondContact O-CD1 3.47Å
321P87.5Confident83.3Confident41 Ų4163.2 Ų63.227%0.26632%0.32SS..Hα-helixtrans-49.5-49.5173.2-27.731.7000114.6D319 L324 L325 Y670 L675D319-P321 WeakPolarHBondContact OD1-CD 3.23Å; P321-L324 PolarHBondContact O-N 2.8Å; P321-L325 WeakPolarHBondContact O-CG 3.35Å; P321-L325 PolarHBondContact O-N 3.18Å; P321-Y670 HydrophobicContact CB-CE2 4Å; P321-L675 HydrophobicContact CG-CD1 3.73Å
322Q88.8Confident83.9Confident108 Ų10858.6 Ų58.651%0.50530%0.296SS..Hα-helixtrans-66.8-40.2-178.4-168.7-172.948.400111.6D319 K320 L325 Q326D319-Q322 HydrophobicContact CB-CB 3.86Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.39Å; D319-Q322 PolarHBondContact OD1-N 2.85Å; K320-Q322 PolarHBondContact O-N 3.23Å; Q322-L325 PolarHBondContact O-N 3.25Å; Q322-Q326 WeakPolarHBondContact O-CB 3.37Å; Q322-Q326 VanDerWaalsContact O-CG 3.31Å; Q322-Q326 WeakPolarHBondContact O-CG 3.36Å; Q322-Q326 PolarHBondContact O-N 2.89Å
323T87.3Confident84.6Confident25 Ų2556.7 Ų56.715%0.15329%0.291CS..Hα-helixtrans-63.3-44.4177.5-57.90000111.1V317 D319 K320 L325 Q326 V327 F448 L679V317-T323 HydrophobicContact CG1-CG2 4.34Å; V317-T323 HydrophobicContact CG2-CG2 4.38Å; D319-T323 VanDerWaalsContact O-CB 3.3Å; D319-T323 WeakPolarHBondContact O-CB 3.48Å; D319-T323 PolarHBondContact O-N 2.83Å; D319-T323 PolarHBondContact O-OG1 2.92Å; K320-T323 PolarHBondContact O-N 3.42Å; T323-L325 PolarHBondContact O-N 3.01Å; T323-Q326 PolarHBondContact O-N 3Å; T323-V327 WeakPolarHBondContact O-CG2 3.4Å; T323-V327 PolarHBondContact O-N 2.72Å; T323-F448 HydrophobicContact CG2-CE2 4.26Å; T323-F448 HydrophobicContact CG2-CZ 4.28Å; T323-L679 HydrophobicContact CG2-CD2 4.32Å
324L90.1Very high85.3Confident0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-60.1-46.9175.4178.261.4000111.6K320 P321 Q326 V327 I328 L451 L669 Y670 L675 L679K320-L324 PolarHBondContact O-N 3.47Å; P321-L324 PolarHBondContact O-N 2.8Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.04Å; L324-V327 PolarHBondContact O-N 3.37Å; L324-I328 HydrophobicContact CD1-CD1 3.78Å; L324-I328 HydrophobicContact CD1-CG1 4.09Å; L324-I328 HydrophobicContact CD2-CD1 4.43Å; L324-I328 HydrophobicContact CG-CD1 3.79Å; L324-I328 HydrophobicContact CG-CG1 4.45Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 2.63Å; L324-L451 HydrophobicContact CD1-CD1 3.44Å; L324-L451 VanDerWaalsContact CD1-CD1 3.44Å; L324-L451 HydrophobicContact CD1-CD2 3.74Å; L324-L451 HydrophobicContact CD1-CG 4.27Å; L324-L669 WeakPolarHBondContact CD2-O 3.4Å; L324-Y670 HydrophobicContact CD2-CD2 4.15Å; L324-L675 HydrophobicContact CB-CD2 4.48Å; L324-L675 HydrophobicContact CD2-CD2 3.4Å; L324-L679 HydrophobicContact CB-CD1 4.33Å
325L91Very high86.2Confident58 Ų5852.9 Ų52.930%0.30427%0.272SS..Hα-helixtrans-64-35.3178.4-69.9173.9000112.4P321 Q322 T323 T329 V666 Y670P321-L325 WeakPolarHBondContact O-CG 3.35Å; P321-L325 PolarHBondContact O-N 3.18Å; Q322-L325 PolarHBondContact O-N 3.25Å; T323-L325 PolarHBondContact O-N 3.01Å; L325-T329 VanDerWaalsContact O-CB 3.23Å; L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.09Å; L325-T329 PolarHBondContact O-OG1 2.96Å; L325-V666 HydrophobicContact CD2-CG1 4.42Å; L325-V666 HydrophobicContact CD2-CG2 3.84Å; L325-Y670 HydrophobicContact CD1-CD2 4.43Å; L325-Y670 HydrophobicContact CD1-CE2 3.76Å; L325-Y670 HydrophobicContact CD2-CD2 3.83Å; L325-Y670 HydrophobicContact CD2-CE2 4.01Å; L325-Y670 HydrophobicContact CG-CD2 4Å; L325-Y670 HydrophobicContact CG-CE2 3.75Å
326Q88.9Confident87.1Confident110 Ų11047.4 Ų47.451%0.51425%0.251SS..Hα-helixtrans-63-49.2173.1-75.51741500111.4Q322 T323 L324 T329 R330Q322-Q326 WeakPolarHBondContact O-CB 3.37Å; Q322-Q326 VanDerWaalsContact O-CG 3.31Å; Q322-Q326 WeakPolarHBondContact O-CG 3.36Å; Q322-Q326 PolarHBondContact O-N 2.89Å; T323-Q326 PolarHBondContact O-N 3Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.04Å; Q326-T329 PolarHBondContact O-N 2.91Å; Q326-R330 VanDerWaalsContact O-CB 3.22Å; Q326-R330 WeakPolarHBondContact O-CB 3.4Å; Q326-R330 PolarHBondContact O-N 3.48Å
327V88.8Confident88.2Confident10 Ų1045.7 Ų45.76%0.06124%0.242CC..Hα-helixtrans-62.8-45.9178.6176.20000111.5T323 L324 T329 R330 F331 E444 L451 I455T323-V327 WeakPolarHBondContact O-CG2 3.4Å; T323-V327 PolarHBondContact O-N 2.72Å; L324-V327 PolarHBondContact O-N 3.37Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 3.01Å; V327-R330 PolarHBondContact O-N 3.04Å; V327-F331 WeakPolarHBondContact O-CB 3.49Å; V327-F331 PolarHBondContact O-N 3.31Å; V327-E444 HydrophobicContact CG2-CB 4.3Å; V327-E444 HydrophobicContact CG2-CG 4.39Å; V327-L451 HydrophobicContact CB-CD2 4.2Å; V327-L451 HydrophobicContact CG1-CD2 3.85Å; V327-I455 HydrophobicContact CG1-CD1 4.29Å
328I91.2Very high89.1Confident0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-61.5-43.2177.4-68.2171.6000111L324 S332 Q662 L665 V666 L669L324-I328 HydrophobicContact CD1-CD1 3.78Å; L324-I328 HydrophobicContact CD1-CG1 4.09Å; L324-I328 HydrophobicContact CD2-CD1 4.43Å; L324-I328 HydrophobicContact CG-CD1 3.79Å; L324-I328 HydrophobicContact CG-CG1 4.45Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 2.63Å; I328-S332 VanDerWaalsContact O-CB 3.26Å; I328-S332 WeakPolarHBondContact O-CB 3.46Å; I328-S332 PolarHBondContact O-N 2.68Å; I328-S332 PolarHBondContact O-OG 3.36Å; I328-Q662 HydrophobicContact CG2-CG 4.23Å; I328-L665 HydrophobicContact CG2-CB 3.67Å; I328-L665 HydrophobicContact CG2-CD1 4.21Å; I328-V666 HydrophobicContact CD1-CG2 4.36Å; I328-V666 HydrophobicContact CG2-CG2 4.04Å; I328-L669 HydrophobicContact CD1-CB 4.02Å; I328-L669 HydrophobicContact CD1-CD1 3.99Å; I328-L669 HydrophobicContact CG1-CD1 4.22Å
329T91.6Very high90Very high54 Ų5437.9 Ų37.933%0.33120%0.202SC..Hα-helixtrans-65.1-41.2177.2-55.30000111.1L325 Q326 V327 S333 Q662L325-T329 VanDerWaalsContact O-CB 3.23Å; L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.09Å; L325-T329 PolarHBondContact O-OG1 2.96Å; Q326-T329 PolarHBondContact O-N 2.91Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 3.01Å; T329-S333 WeakPolarHBondContact O-CB 3.3Å; T329-S333 PolarHBondContact O-N 3.44Å; T329-S333 PolarHBondContact O-OG 2.88Å; T329-Q662 PolarHBondContact OG1-NE2 3.35Å
330R89.5Confident90.3Very high86 Ų8639.4 Ų39.433%0.32521%0.207SC..Hα-helixtrans-64.7-49.3179.5-176.168.7-173.6122.916.5111.5Q326 V327 S333 S334 T441Q326-R330 VanDerWaalsContact O-CB 3.22Å; Q326-R330 WeakPolarHBondContact O-CB 3.4Å; Q326-R330 PolarHBondContact O-N 3.48Å; V327-R330 PolarHBondContact O-N 3.04Å; R330-S333 PolarHBondContact O-N 2.71Å; R330-S334 PolarHBondContact O-N 2.71Å; R330-T441 HydrophobicContact CG-CG2 4.31Å
331F91.4Very high90.5Very high1 Ų138.6 Ų38.60%0.00422%0.218CC..Hα-helixtrans-60.5-49.8174.8173.3-93.2000111.5V327 S333 S334 Y335 V434 C437 M445 I455 V459 L661 L665V327-F331 WeakPolarHBondContact O-CB 3.49Å; V327-F331 PolarHBondContact O-N 3.31Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 3.1Å; F331-S334 WeakPolarHBondContact O-CA 3.37Å; F331-S334 WeakPolarHBondContact O-CB 3.3Å; F331-S334 PolarHBondContact O-N 3.37Å; F331-Y335 HydrophobicContact CZ-CD2 4.37Å; F331-Y335 PolarHBondContact O-N 3.15Å; F331-V434 HydrophobicContact CZ-CG1 4.22Å; F331-C437 HydrophobicContact CD2-CB 4.21Å; F331-C437 HydrophobicContact CE2-CB 3.82Å; F331-M445 HydrophobicContact CD2-CE 3.48Å; F331-M445 VanDerWaalsContact CD2-CE 3.48Å; F331-M445 HydrophobicContact CE2-CE 3.8Å; F331-M445 HydrophobicContact CG-CE 4.46Å; F331-I455 HydrophobicContact CD1-CG2 3.82Å; F331-I455 HydrophobicContact CD2-CG2 4.17Å; F331-I455 HydrophobicContact CE1-CG2 3.67Å; F331-I455 HydrophobicContact CE2-CG2 4.01Å; F331-I455 HydrophobicContact CG-CG2 4.08Å; F331-I455 HydrophobicContact CZ-CG2 3.77Å; F331-V459 HydrophobicContact CE1-CG2 3.71Å; F331-V459 HydrophobicContact CZ-CG2 4Å; F331-L661 HydrophobicContact CE1-CD2 4.24Å; F331-L665 HydrophobicContact CD1-CD1 3.72Å; F331-L665 HydrophobicContact CE1-CD1 3.96Å
332S92.6Very high90.5Very high5 Ų541.1 Ų41.14%0.03523%0.232CC..Hα-helixtrans-58-45.7179-55.90000111.5I328 S334 Y335 V336I328-S332 VanDerWaalsContact O-CB 3.26Å; I328-S332 WeakPolarHBondContact O-CB 3.46Å; I328-S332 PolarHBondContact O-N 2.68Å; I328-S332 PolarHBondContact O-OG 3.36Å; S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.03Å; S332-Y335 PolarHBondContact O-N 2.72Å; S332-V336 VanDerWaalsContact O-CG2 3.28Å; S332-V336 WeakPolarHBondContact O-CG2 3.31Å; S332-V336 PolarHBondContact O-N 2.67Å
333S91.8Very high90Very high63 Ų6337 Ų3744%0.44122%0.217SC..Hα-helixtrans-60.3-38175.2-55.80000112.5T329 R330 F331 A337T329-S333 WeakPolarHBondContact O-CB 3.3Å; T329-S333 PolarHBondContact O-N 3.44Å; T329-S333 PolarHBondContact O-OG 2.88Å; R330-S333 PolarHBondContact O-N 2.71Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 3.1Å; S333-A337 WeakPolarHBondContact O-CB 3.5Å; S333-A337 PolarHBondContact O-N 2.99Å
334S90.5Very high89.4Confident6 Ų645.5 Ų45.54%0.04225%0.246CC..Hα-helixtrans-67.6-46.2178.1-150.20000111.3R330 F331 S332 V336 A337 T338R330-S334 PolarHBondContact O-N 2.71Å; F331-S334 WeakPolarHBondContact O-CA 3.37Å; F331-S334 WeakPolarHBondContact O-CB 3.3Å; F331-S334 PolarHBondContact O-N 3.37Å; S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.03Å; S334-V336 PolarHBondContact O-N 3.44Å; S334-A337 WeakPolarHBondContact O-CB 3.33Å; S334-A337 PolarHBondContact O-N 3.01Å; S334-T338 PolarHBondContact O-N 3.37Å; S334-T338 PolarHBondContact O-OG1 3.07Å; S334-T338 VanDerWaalsContact O-OG1 3.12Å
335Y92.3Very high88.4Confident0 Ų051 Ų510%028%0.276CS..Hα-helixtrans-62.5-44.5178.9-170.5-87.7000111.7F331 S332 A337 T338 V339 M430 M433 V434 V657 L661F331-Y335 HydrophobicContact CZ-CD2 4.37Å; F331-Y335 PolarHBondContact O-N 3.15Å; S332-Y335 PolarHBondContact O-N 2.72Å; Y335-A337 VanDerWaalsContact C-N 3.33Å; Y335-A337 PolarHBondContact O-N 2.89Å; Y335-T338 PolarHBondContact O-N 3.36Å; Y335-T338 VanDerWaalsContact O-N 3.15Å; Y335-V339 HydrophobicContact CD1-CG2 4.07Å; Y335-V339 HydrophobicContact CE1-CG2 3.91Å; Y335-V339 WeakPolarHBondContact O-CG2 3.33Å; Y335-V339 PolarHBondContact O-N 3.42Å; Y335-M430 HydrophobicContact CE1-CE 4.21Å; Y335-M430 WeakPolarHBondContact OH-CB 3.14Å; Y335-M430 PolarHBondContact OH-O 3.23Å; Y335-M433 HydrophobicContact CD2-CB 4.34Å; Y335-M433 HydrophobicContact CE1-CE 4.28Å; Y335-M433 HydrophobicContact CE2-CB 3.73Å; Y335-M433 HydrophobicContact CE2-CE 4.29Å; Y335-V434 HydrophobicContact CE2-CG2 3.87Å; Y335-V657 HydrophobicContact CE1-CG1 4.38Å; Y335-L661 HydrophobicContact CD1-CD2 3.47Å; Y335-L661 VanDerWaalsContact CD1-CD2 3.47Å; Y335-L661 HydrophobicContact CE1-CD2 4.2Å; Y335-L661 HydrophobicContact CG-CD2 3.66Å
336V93.2Very high87.5Confident35 Ų3554.2 Ų54.221%0.21229%0.292CS..Hα-helixtrans-59.5-42.9173.6173.70000111.1S332 S334 T338 V339 E340 K658S332-V336 VanDerWaalsContact O-CG2 3.28Å; S332-V336 WeakPolarHBondContact O-CG2 3.31Å; S332-V336 PolarHBondContact O-N 2.67Å; S334-V336 PolarHBondContact O-N 3.44Å; V336-T338 VanDerWaalsContact C-N 3.29Å; V336-T338 PolarHBondContact O-N 3.48Å; V336-V339 WeakPolarHBondContact O-CB 3.45Å; V336-V339 PolarHBondContact O-N 2.91Å; V336-V339 VanDerWaalsContact O-N 3.13Å; V336-E340 HydrophobicContact CG1-CG 4.42Å; V336-E340 WeakPolarHBondContact O-CG 3.37Å; V336-E340 PolarHBondContact O-N 3.47Å; V336-K658 HydrophobicContact CB-CG 4.29Å; V336-K658 HydrophobicContact CG1-CD 4.13Å; V336-K658 HydrophobicContact CG1-CG 3.95Å; V336-K658 HydrophobicContact CG2-CG 3.78Å
337A91.3Very high86.6Confident17 Ų1754.8 Ų54.814%0.1430%0.295CS..Hα-helixtrans-63.1-33.1176.100000113S333 S334 Y335 E340 G341 T342 A343S333-A337 WeakPolarHBondContact O-CB 3.5Å; S333-A337 PolarHBondContact O-N 2.99Å; S334-A337 WeakPolarHBondContact O-CB 3.33Å; S334-A337 PolarHBondContact O-N 3.01Å; Y335-A337 VanDerWaalsContact C-N 3.33Å; Y335-A337 PolarHBondContact O-N 2.89Å; A337-E340 PolarHBondContact O-N 3.33Å; A337-G341 CarbonylContact O-C 3.57Å; A337-G341 PolarHBondContact O-N 2.87Å; A337-T342 WeakPolarHBondContact CA-OG1 3.23Å; A337-T342 PolarHBondContact O-N 3.2Å; A337-A343 PolarHBondContact O-N 3.15Å
338T90.5Very high86.1Confident22 Ų2261.2 Ų61.214%0.13533%0.334CS..Hα-helixtrans-74.8-29.5173.4-50.90000112.7S334 Y335 V336 G354 M433S334-T338 PolarHBondContact O-N 3.37Å; S334-T338 PolarHBondContact O-OG1 3.07Å; S334-T338 VanDerWaalsContact O-OG1 3.12Å; Y335-T338 PolarHBondContact O-N 3.36Å; Y335-T338 VanDerWaalsContact O-N 3.15Å; V336-T338 VanDerWaalsContact C-N 3.29Å; V336-T338 PolarHBondContact O-N 3.48Å; T338-G354 PolarHBondContact O-N 3.28Å; T338-M433 HydrophobicContact CG2-CE 3.89Å; T338-M433 HydrophobicContact CG2-CG 4.21Å
339V92Very high85.7Confident16 Ų1665.8 Ų65.810%0.09737%0.366CS..Hα-helixtrans-66.6-41.9168.5177.10000110.7Y335 V336 G354 M433 V654 K658Y335-V339 HydrophobicContact CD1-CG2 4.07Å; Y335-V339 HydrophobicContact CE1-CG2 3.91Å; Y335-V339 WeakPolarHBondContact O-CG2 3.33Å; Y335-V339 PolarHBondContact O-N 3.42Å; V336-V339 WeakPolarHBondContact O-CB 3.45Å; V336-V339 PolarHBondContact O-N 2.91Å; V336-V339 VanDerWaalsContact O-N 3.13Å; V339-G354 WeakPolarHBondContact O-CA 3.26Å; V339-M433 HydrophobicContact CB-CE 4.17Å; V339-M433 HydrophobicContact CG2-CE 3.39Å; V339-V654 HydrophobicContact CG1-CG1 3.8Å; V339-K658 HydrophobicContact CG1-CD 4.13Å; V339-K658 HydrophobicContact CG1-CG 4.4Å
340E91.9Very high85.4Confident103 Ų10368.6 Ų68.648%0.48138%0.375SS..Hα-helixtrans-90.7-8.7-172.4-65.5-175.5164.700114.3V336 A337 T342 K658V336-E340 HydrophobicContact CG1-CG 4.42Å; V336-E340 WeakPolarHBondContact O-CG 3.37Å; V336-E340 PolarHBondContact O-N 3.47Å; A337-E340 PolarHBondContact O-N 3.33Å; E340-T342 HydrophobicContact CB-CG2 4.44Å; E340-K658 HydrophobicContact CG-CD 4.29Å; E340-K658 IonicContact OE1-NZ 3.55Å; E340-K658 PolarHBondContact OE1-NZ 2.71Å
341G87.9Confident85.2Confident51 Ų5168.5 Ų68.553%0.52638%0.381SS..THydrogen-bonded Turntrans77.320-178.100000114.2A337A337-G341 CarbonylContact O-C 3.57Å; A337-G341 PolarHBondContact O-N 2.87Å
342T87.3Confident85Confident94 Ų9470.2 Ų70.258%0.57739%0.393SS*.  trans-104.79.9-179.457.60000113.2A337 E340A337-T342 WeakPolarHBondContact CA-OG1 3.23Å; A337-T342 PolarHBondContact O-N 3.2Å; E340-T342 HydrophobicContact CB-CG2 4.44Å
343A80Confident84.9Confident22 Ų2270 Ų7018%0.18239%0.391CS..  trans-57.3150.4173.800000112.2A337 I346A337-A343 PolarHBondContact O-N 3.15Å; A343-I346 WeakPolarHBondContact O-CG1 3.37Å
344R73.1Confident84.9Confident203 Ų20367.9 Ų67.977%0.76638%0.379SS*.SBendtrans-78.2-37.1-174-67.7-176.4177.9-174.2-1.3113
345N69.2Low85Confident115 Ų11570.3 Ų70.362%0.61540%0.399SS*.SBendtrans-102.887.8178-66.2-38.4000108.7E347 D440N345-E347 PolarHBondContact O-N 3.35Å; N345-D440 PolarHBondContact ND2-OD1 3.46Å
346I72.1Confident85.1Confident126 Ų12674 Ų7465%0.64641%0.413SS*.  trans-83.1105.5174.8-55.3179.9000107.9A343A343-I346 WeakPolarHBondContact O-CG1 3.37Å
347E71Confident85.2Confident122 Ų12272.6 Ų72.657%0.5741%0.405SS*.  trans-66.6140.9172-62.7-158.4173.200111N345 S349N345-E347 PolarHBondContact O-N 3.35Å; E347-S349 PolarHBondContact OE2-OG 2.82Å
348T78.6Confident85.4Confident144 Ų14474.8 Ų74.888%0.88342%0.418SS*.SBendtrans-107.1-1-178.154.10000113.2
349S81.4Confident85.7Confident96 Ų9678 Ų7867%0.67143%0.428SS*.SBendtrans-72.3-44179.218.80000113E347E347-S349 PolarHBondContact OE2-OG 2.82Å
350E85.6Confident86Confident114 Ų11477.5 Ų77.553%0.53343%0.425SS..SBendtrans-145.4173.9179.966.1173.1148.600112.9
351L86.5Confident86.2Confident83 Ų8373.2 Ų73.244%0.43541%0.405SS..  trans-88.9113.1174.3-66.8173.7000108.8A355 R356 Y359L351-A355 HydrophobicContact CD2-CB 4.3Å; L351-R356 HydrophobicContact CB-CB 4.33Å; L351-R356 VanDerWaalsContact O-CB 3.27Å; L351-R356 WeakPolarHBondContact O-CB 3.3Å; L351-R356 WeakPolarHBondContact O-CD 3.47Å; L351-R356 WeakPolarHBondContact O-CG 3.25Å; L351-Y359 HydrophobicContact CD1-CD2 3.92Å; L351-Y359 HydrophobicContact CD1-CG 4.19Å
352C86.8Confident86.5Confident38 Ų3876.2 Ų76.226%0.25741%0.405SS..  trans-108159.9175.7-50.40000111.9G354 A355 R356C352-G354 PolarHBondContact O-N 3.48Å; C352-A355 PolarHBondContact O-N 3.33Å; C352-R356 PolarHBondContact O-N 3Å
353G89.5Confident86.9Confident0 Ų075.1 Ų75.10%039%0.393CS..Hα-helixtrans55.8-132.4163.200000115.1A355 R356 I357 E429 M433G353-A355 VanDerWaalsContact C-N 3.28Å; G353-A355 PolarHBondContact O-N 3.26Å; G353-R356 WeakPolarHBondContact O-CA 3.19Å; G353-R356 WeakPolarHBondContact O-CB 3.13Å; G353-R356 PolarHBondContact O-N 2.91Å; G353-I357 WeakPolarHBondContact O-CG1 3.34Å; G353-I357 PolarHBondContact O-N 3.12Å; G353-E429 PolarHBondContact N-OE1 3.19Å; G353-M433 VanDerWaalsContact CA-SD 3.6Å
354G92.6Very high87.6Confident19 Ų1976.5 Ų76.520%0.19640%0.399CS..Hα-helixtrans-53.5-40.5-177.800000114.6T338 V339 C352 R356 I357 C358T338-G354 PolarHBondContact O-N 3.28Å; V339-G354 WeakPolarHBondContact O-CA 3.26Å; C352-G354 PolarHBondContact O-N 3.48Å; G354-R356 VanDerWaalsContact C-N 3.3Å; G354-R356 PolarHBondContact O-N 3.14Å; G354-I357 PolarHBondContact O-N 2.98Å; G354-C358 WeakPolarHBondContact O-CB 3.46Å; G354-C358 PolarHBondContact O-N 3Å
355A92.7Very high88.8Confident56 Ų5667 Ų6746%0.46336%0.364SS..Hα-helixtrans-65.1-35.9176.700000111.8L351 C352 G353 C358 Y359L351-A355 HydrophobicContact CD2-CB 4.3Å; C352-A355 PolarHBondContact O-N 3.33Å; G353-A355 VanDerWaalsContact C-N 3.28Å; G353-A355 PolarHBondContact O-N 3.26Å; A355-C358 WeakPolarHBondContact O-CB 3.49Å; A355-C358 PolarHBondContact O-N 3.46Å; A355-Y359 PolarHBondContact O-N 2.9Å
356R94.4Very high90Very high78 Ų7866.6 Ų66.629%0.29435%0.354SS..Hα-helixtrans-75.2-38.4178.1-170.949.2177.5-171.2-4.9113.1L351 C352 G353 G354 C358 Y359 I360 E429L351-R356 HydrophobicContact CB-CB 4.33Å; L351-R356 VanDerWaalsContact O-CB 3.27Å; L351-R356 WeakPolarHBondContact O-CB 3.3Å; L351-R356 WeakPolarHBondContact O-CD 3.47Å; L351-R356 WeakPolarHBondContact O-CG 3.25Å; C352-R356 PolarHBondContact O-N 3Å; G353-R356 WeakPolarHBondContact O-CA 3.19Å; G353-R356 WeakPolarHBondContact O-CB 3.13Å; G353-R356 PolarHBondContact O-N 2.91Å; G354-R356 VanDerWaalsContact C-N 3.3Å; G354-R356 PolarHBondContact O-N 3.14Å; R356-C358 VanDerWaalsContact C-N 3.3Å; R356-C358 PolarHBondContact O-N 2.85Å; R356-Y359 WeakPolarHBondContact O-CB 3.42Å; R356-Y359 PolarHBondContact O-N 3.16Å; R356-I360 HydrophobicContact CG-CD1 4.43Å; R356-I360 WeakPolarHBondContact O-CG1 3.38Å; R356-I360 PolarHBondContact O-N 3.48Å; R356-E429 HydrophobicContact CB-CG 3.97Å; R356-E429 VanDerWaalsContact CB-OE1 3.29Å; R356-E429 WeakPolarHBondContact CB-OE1 3.22Å; R356-E429 HydrophobicContact CG-CG 3.87Å; R356-E429 VanDerWaalsContact CG-OE1 3.22Å; R356-E429 WeakPolarHBondContact CG-OE1 3.45Å; R356-E429 WeakPolarHBondContact CG-OE2 3.35Å
357I96Very high91.1Very high6 Ų664.9 Ų64.93%0.03134%0.341CS..Hα-helixtrans-58.7-45170.2-65.2174000109.8G353 G354 Y359 I360 F361 V426 E429 M430 M433 M650 V654G353-I357 WeakPolarHBondContact O-CG1 3.34Å; G353-I357 PolarHBondContact O-N 3.12Å; G354-I357 PolarHBondContact O-N 2.98Å; I357-Y359 VanDerWaalsContact C-N 3.35Å; I357-Y359 PolarHBondContact O-N 3.43Å; I357-I360 PolarHBondContact O-N 3.31Å; I357-I360 VanDerWaalsContact O-N 3.14Å; I357-F361 HydrophobicContact CG2-CD2 4.13Å; I357-F361 HydrophobicContact CG2-CE2 3.44Å; I357-F361 VanDerWaalsContact CG2-CE2 3.44Å; I357-F361 HydrophobicContact CG2-CZ 3.81Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; I357-F361 PolarHBondContact O-N 3.3Å; I357-F361 VanDerWaalsContact O-N 3.16Å; I357-V426 HydrophobicContact CD1-CG1 4.26Å; I357-V426 HydrophobicContact CG1-CG1 4.2Å; I357-V426 HydrophobicContact CG2-CG1 4.18Å; I357-V426 HydrophobicContact CG2-CG2 4.27Å; I357-E429 HydrophobicContact CG1-CB 4.25Å; I357-E429 HydrophobicContact CG1-CG 3.89Å; I357-M430 HydrophobicContact CD1-CG 4.07Å; I357-M433 HydrophobicContact CD1-SD 4.48Å; I357-M650 HydrophobicContact CG2-SD 4.22Å; I357-V654 HydrophobicContact CD1-CG1 4.32Å; I357-V654 HydrophobicContact CD1-CG2 4.44Å
358C95.5Very high92.2Very high62 Ų6260.7 Ų60.742%0.41933%0.328SS..Hα-helixtrans-59.2-42.6175.3-171.10000112.6G354 A355 R356 F361 H362G354-C358 WeakPolarHBondContact O-CB 3.46Å; G354-C358 PolarHBondContact O-N 3Å; A355-C358 WeakPolarHBondContact O-CB 3.49Å; A355-C358 PolarHBondContact O-N 3.46Å; R356-C358 VanDerWaalsContact C-N 3.3Å; R356-C358 PolarHBondContact O-N 2.85Å; C358-F361 PolarHBondContact O-N 2.98Å; C358-H362 PolarHBondContact O-N 3.48Å; C358-H362 PolarHBondContact O-ND1 2.94Å; C358-H362 PolarHBondContact SG-ND1 2.93Å
359Y96.4Very high93Very high89 Ų8953.8 Ų53.835%0.34929%0.286SS..Hα-helixtrans-63.7-38.9173.5179.6-84.6000112.9L351 A355 R356 I357 F361 E363 T364L351-Y359 HydrophobicContact CD1-CD2 3.92Å; L351-Y359 HydrophobicContact CD1-CG 4.19Å; A355-Y359 PolarHBondContact O-N 2.9Å; R356-Y359 WeakPolarHBondContact O-CB 3.42Å; R356-Y359 PolarHBondContact O-N 3.16Å; I357-Y359 VanDerWaalsContact C-N 3.35Å; I357-Y359 PolarHBondContact O-N 3.43Å; Y359-F361 VanDerWaalsContact C-N 3.32Å; Y359-F361 PolarHBondContact O-N 3.45Å; Y359-E363 HydrophobicContact CD1-CB 4.38Å; Y359-E363 HydrophobicContact CD2-CB 3.93Å; Y359-E363 HydrophobicContact CD2-CG 3.8Å; Y359-E363 HydrophobicContact CE1-CB 4.22Å; Y359-E363 HydrophobicContact CE2-CB 3.76Å; Y359-E363 HydrophobicContact CE2-CG 3.75Å; Y359-E363 HydrophobicContact CG-CB 4.23Å; Y359-E363 HydrophobicContact CG-CG 4.48Å; Y359-E363 WeakPolarHBondContact O-CB 3.3Å; Y359-E363 PolarHBondContact O-N 3.3Å; Y359-T364 WeakPolarHBondContact CE1-OG1 3.32Å; Y359-T364 PolarHBondContact O-N 2.73Å; Y359-T364 VanDerWaalsContact O-N 3.14Å
360I97.1Very high93.5Very high6 Ų653.5 Ų53.53%0.03127%0.274CS..Iπ-helixtrans-60.5-43.2177.4-71.4160.9000110.5R356 I357 T364 F365 L425 V426 E429R356-I360 HydrophobicContact CG-CD1 4.43Å; R356-I360 WeakPolarHBondContact O-CG1 3.38Å; R356-I360 PolarHBondContact O-N 3.48Å; I357-I360 PolarHBondContact O-N 3.31Å; I357-I360 VanDerWaalsContact O-N 3.14Å; I360-T364 WeakPolarHBondContact O-CB 3.27Å; I360-T364 PolarHBondContact O-N 3Å; I360-F365 WeakPolarHBondContact O-CB 3.14Å; I360-F365 PolarHBondContact O-N 2.71Å; I360-L425 HydrophobicContact CD1-CB 4.2Å; I360-L425 HydrophobicContact CG1-CB 4.43Å; I360-L425 HydrophobicContact CG2-CB 3.83Å; I360-L425 HydrophobicContact CG2-CD1 4.41Å; I360-V426 HydrophobicContact CB-CG2 4.4Å; I360-V426 HydrophobicContact CD1-CG2 4.44Å; I360-V426 HydrophobicContact CG2-CG2 3.84Å; I360-E429 HydrophobicContact CD1-CB 4.14Å
361F97.1Very high93.9Very high13 Ų1358.1 Ų58.16%0.05729%0.286CS..Iπ-helixtrans-70.5-55.5176.8-58.9-40.4000113.2I357 C358 Y359 R366 V426 P646 I649 M650I357-F361 HydrophobicContact CG2-CD2 4.13Å; I357-F361 HydrophobicContact CG2-CE2 3.44Å; I357-F361 VanDerWaalsContact CG2-CE2 3.44Å; I357-F361 HydrophobicContact CG2-CZ 3.81Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; I357-F361 PolarHBondContact O-N 3.3Å; I357-F361 VanDerWaalsContact O-N 3.16Å; C358-F361 PolarHBondContact O-N 2.98Å; Y359-F361 VanDerWaalsContact C-N 3.32Å; Y359-F361 PolarHBondContact O-N 3.45Å; F361-R366 PolarHBondContact O-N 3.49Å; F361-V426 HydrophobicContact CD1-CG2 4.5Å; F361-V426 HydrophobicContact CE1-CG2 3.69Å; F361-V426 HydrophobicContact CZ-CG2 3.92Å; F361-P646 HydrophobicContact CB-CB 4.13Å; F361-P646 HydrophobicContact CB-CG 4.06Å; F361-P646 HydrophobicContact CD1-CB 3.73Å; F361-P646 HydrophobicContact CD1-CG 3.9Å; F361-P646 HydrophobicContact CD2-CB 3.98Å; F361-P646 HydrophobicContact CE1-CB 4.07Å; F361-P646 HydrophobicContact CE2-CB 4.28Å; F361-P646 HydrophobicContact CG-CB 3.69Å; F361-P646 HydrophobicContact CG-CG 4.02Å; F361-P646 HydrophobicContact CZ-CB 4.33Å; F361-I649 HydrophobicContact CE1-CB 4.03Å; F361-I649 HydrophobicContact CE1-CD1 3.94Å; F361-I649 HydrophobicContact CE1-CG2 4.02Å; F361-I649 HydrophobicContact CZ-CB 4.03Å; F361-I649 HydrophobicContact CZ-CG2 3.87Å; F361-M650 HydrophobicContact CE2-CG 3.81Å; F361-M650 HydrophobicContact CE2-SD 3.78Å; F361-M650 HydrophobicContact CZ-CG 4.16Å; F361-M650 HydrophobicContact CZ-SD 4.23Å
362H94.8Very high94.1Very high115 Ų11555.5 Ų55.553%0.53227%0.272SS..Iπ-helixtrans-80-29.9-167.3-64.596.8000114C358 R366C358-H362 PolarHBondContact O-N 3.48Å; C358-H362 PolarHBondContact O-ND1 2.94Å; C358-H362 PolarHBondContact SG-ND1 2.93Å; H362-R366 WeakPolarHBondContact O-CB 3.27Å; H362-R366 WeakPolarHBondContact O-CD 3Å
363E95Very high94.1Very high71 Ų7157 Ų5733%0.33228%0.278SS..Iπ-helixtrans-105.6-54.7-178.9-70.5-70.9117.400111.6Y359 K367Y359-E363 HydrophobicContact CD1-CB 4.38Å; Y359-E363 HydrophobicContact CD2-CB 3.93Å; Y359-E363 HydrophobicContact CD2-CG 3.8Å; Y359-E363 HydrophobicContact CE1-CB 4.22Å; Y359-E363 HydrophobicContact CE2-CB 3.76Å; Y359-E363 HydrophobicContact CE2-CG 3.75Å; Y359-E363 HydrophobicContact CG-CB 4.23Å; Y359-E363 HydrophobicContact CG-CG 4.48Å; Y359-E363 WeakPolarHBondContact O-CB 3.3Å; Y359-E363 PolarHBondContact O-N 3.3Å; E363-K367 VanDerWaalsContact O-CB 3.26Å; E363-K367 WeakPolarHBondContact O-CB 3.32Å; E363-K367 WeakPolarHBondContact O-CD 3.4Å; E363-K367 WeakPolarHBondContact O-CG 3.09Å; E363-K367 PolarHBondContact O-N 2.84Å; E363-K367 VanDerWaalsContact O-N 3.15Å; E363-K367 WeakPolarHBondContact OE2-CE 3.1Å; E363-K367 IonicContact OE2-NZ 3.37Å; E363-K367 PolarHBondContact OE2-NZ 2.9Å
364T95.4Very high93.7Very high50 Ų5057.2 Ų57.231%0.30728%0.279SS..Iπ-helixtrans-74.6-49.2-169.6-54.20000112.1Y359 I360 A368 L425Y359-T364 WeakPolarHBondContact CE1-OG1 3.32Å; Y359-T364 PolarHBondContact O-N 2.73Å; Y359-T364 VanDerWaalsContact O-N 3.14Å; I360-T364 WeakPolarHBondContact O-CB 3.27Å; I360-T364 PolarHBondContact O-N 3Å; T364-A368 PolarHBondContact O-N 3.42Å; T364-A368 VanDerWaalsContact O-N 3.1Å; T364-L425 HydrophobicContact CG2-CD1 3.91Å
365F97.4Very high93.2Very high5 Ų557.8 Ų57.82%0.02228%0.279CS..Iπ-helixtrans-71.4-45.4-179.7179.7-124.7000111.8I360 K367 A368 L369 P418 C422 V641 I645 P646I360-F365 WeakPolarHBondContact O-CB 3.14Å; I360-F365 PolarHBondContact O-N 2.71Å; F365-K367 PolarHBondContact O-N 3.19Å; F365-A368 WeakPolarHBondContact O-CB 3.29Å; F365-A368 PolarHBondContact O-N 2.72Å; F365-L369 HydrophobicContact CD1-CD1 4.09Å; F365-L369 HydrophobicContact CD2-CD1 4.44Å; F365-L369 HydrophobicContact CD2-CG 4.23Å; F365-L369 HydrophobicContact CE1-CD1 3.69Å; F365-L369 HydrophobicContact CE1-CG 4.45Å; F365-L369 HydrophobicContact CE2-CD1 4.06Å; F365-L369 HydrophobicContact CE2-CD2 3.84Å; F365-L369 HydrophobicContact CE2-CG 3.95Å; F365-L369 HydrophobicContact CG-CD1 4.46Å; F365-L369 HydrophobicContact CZ-CD1 3.69Å; F365-L369 HydrophobicContact CZ-CD2 4.01Å; F365-L369 HydrophobicContact CZ-CG 4.08Å; F365-L369 WeakPolarHBondContact O-CG 3.44Å; F365-L369 PolarHBondContact O-N 2.98Å; F365-P418 HydrophobicContact CD2-CB 4.46Å; F365-P418 HydrophobicContact CE2-CB 4.18Å; F365-C422 HydrophobicContact CB-CB 4.47Å; F365-C422 HydrophobicContact CD2-CB 3.78Å; F365-C422 HydrophobicContact CE2-CB 4.19Å; F365-C422 HydrophobicContact CG-CB 4.15Å; F365-V641 HydrophobicContact CZ-CG1 4.16Å; F365-I645 HydrophobicContact CE1-CB 3.88Å; F365-I645 HydrophobicContact CE1-CG2 4.05Å; F365-I645 HydrophobicContact CE2-CG2 4.49Å; F365-I645 HydrophobicContact CZ-CB 3.8Å; F365-I645 HydrophobicContact CZ-CG1 4.12Å; F365-I645 HydrophobicContact CZ-CG2 3.79Å; F365-P646 HydrophobicContact CD1-CG 4.22Å; F365-P646 HydrophobicContact CE1-CG 4.3Å
366R94.6Very high92.5Very high105 Ų10563.3 Ų63.340%0.39629%0.292SS..Hα-helixtrans-45.1-57.5168.8171.6-179.4-86.8-88.29111.6F361 H362 A368 L369 E370F361-R366 PolarHBondContact O-N 3.49Å; H362-R366 WeakPolarHBondContact O-CB 3.27Å; H362-R366 WeakPolarHBondContact O-CD 3Å; R366-A368 VanDerWaalsContact C-N 3.26Å; R366-A368 PolarHBondContact O-N 3.46Å; R366-L369 PolarHBondContact O-N 2.73Å; R366-L369 VanDerWaalsContact O-N 3.12Å; R366-E370 VanDerWaalsContact CD-OE1 3.32Å; R366-E370 WeakPolarHBondContact CD-OE1 3.26Å; R366-E370 VanDerWaalsContact CG-CD 3.41Å; R366-E370 HydrophobicContact CG-CG 4.27Å; R366-E370 WeakPolarHBondContact CG-OE1 3.27Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.21Å; R366-E370 IonicContact NH1-OE1 2.76Å; R366-E370 PolarHBondContact NH1-OE1 2.86Å; R366-E370 WeakPolarHBondContact O-CG 3.18Å; R366-E370 PolarHBondContact O-N 3.22Å
367K95.1Very high91.8Very high90 Ų9064.2 Ų64.239%0.39130%0.303SS..Hα-helixtrans-66.5-26.9-176.9-71.2169.5179.8170.20112.5E363 F365 R371E363-K367 VanDerWaalsContact O-CB 3.26Å; E363-K367 WeakPolarHBondContact O-CB 3.32Å; E363-K367 WeakPolarHBondContact O-CD 3.4Å; E363-K367 WeakPolarHBondContact O-CG 3.09Å; E363-K367 PolarHBondContact O-N 2.84Å; E363-K367 VanDerWaalsContact O-N 3.15Å; E363-K367 WeakPolarHBondContact OE2-CE 3.1Å; E363-K367 IonicContact OE2-NZ 3.37Å; E363-K367 PolarHBondContact OE2-NZ 2.9Å; F365-K367 PolarHBondContact O-N 3.19Å; K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 WeakPolarHBondContact O-CD 3.25Å; K367-R371 WeakPolarHBondContact O-CG 3.38Å; K367-R371 PolarHBondContact O-N 2.72Å
368A94.8Very high91.1Very high34 Ų3464.6 Ų64.628%0.28131%0.305SS..Hα-helixtrans-69.1-42.4171.800000112.3T364 F365 R366 P418T364-A368 PolarHBondContact O-N 3.42Å; T364-A368 VanDerWaalsContact O-N 3.1Å; F365-A368 WeakPolarHBondContact O-CB 3.29Å; F365-A368 PolarHBondContact O-N 2.72Å; R366-A368 VanDerWaalsContact C-N 3.26Å; R366-A368 PolarHBondContact O-N 3.46Å; A368-P418 HydrophobicContact CB-CB 4.2Å
369L94.3Very high90.6Very high0 Ų070.5 Ų70.50%032%0.319CS..Hα-helixtrans-70-39.7177.1-62.9175.8000112.7F365 R366 R371 I372 L415 P418 R638 V641 Q642F365-L369 HydrophobicContact CD1-CD1 4.09Å; F365-L369 HydrophobicContact CD2-CD1 4.44Å; F365-L369 HydrophobicContact CD2-CG 4.23Å; F365-L369 HydrophobicContact CE1-CD1 3.69Å; F365-L369 HydrophobicContact CE1-CG 4.45Å; F365-L369 HydrophobicContact CE2-CD1 4.06Å; F365-L369 HydrophobicContact CE2-CD2 3.84Å; F365-L369 HydrophobicContact CE2-CG 3.95Å; F365-L369 HydrophobicContact CG-CD1 4.46Å; F365-L369 HydrophobicContact CZ-CD1 3.69Å; F365-L369 HydrophobicContact CZ-CD2 4.01Å; F365-L369 HydrophobicContact CZ-CG 4.08Å; F365-L369 WeakPolarHBondContact O-CG 3.44Å; F365-L369 PolarHBondContact O-N 2.98Å; R366-L369 PolarHBondContact O-N 2.73Å; R366-L369 VanDerWaalsContact O-N 3.12Å; L369-R371 VanDerWaalsContact C-N 3.33Å; L369-R371 PolarHBondContact O-N 3.31Å; L369-I372 PolarHBondContact O-N 2.74Å; L369-L415 HydrophobicContact CD2-CD2 3.92Å; L369-P418 HydrophobicContact CD2-CB 4.21Å; L369-R638 HydrophobicContact CB-CG 3.87Å; L369-R638 HydrophobicContact CD1-CG 4.48Å; L369-R638 PolarHBondContact O-NE 2.81Å; L369-V641 HydrophobicContact CD2-CG1 4.25Å; L369-Q642 HydrophobicContact CD1-CB 3.66Å; L369-Q642 HydrophobicContact CD1-CG 4.04Å
370E93Very high90.2Very high90 Ų9069.7 Ų69.742%0.42132%0.317SS..Hα-helixtrans-64.2-36.3177.2-73.2168.2172.700112R366 I372R366-E370 VanDerWaalsContact CD-OE1 3.32Å; R366-E370 WeakPolarHBondContact CD-OE1 3.26Å; R366-E370 VanDerWaalsContact CG-CD 3.41Å; R366-E370 HydrophobicContact CG-CG 4.27Å; R366-E370 WeakPolarHBondContact CG-OE1 3.27Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.21Å; R366-E370 IonicContact NH1-OE1 2.76Å; R366-E370 PolarHBondContact NH1-OE1 2.86Å; R366-E370 WeakPolarHBondContact O-CG 3.18Å; R366-E370 PolarHBondContact O-N 3.22Å; E370-I372 PolarHBondContact O-N 2.66Å
371R92.4Very high89.7Confident210 Ų21073.7 Ų73.779%0.79234%0.341SS*.THydrogen-bonded Turntrans-63.9-20.5174.5-76.7166.7-175.8-173.30.1113.7K367 L369 N373K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 WeakPolarHBondContact O-CD 3.25Å; K367-R371 WeakPolarHBondContact O-CG 3.38Å; K367-R371 PolarHBondContact O-N 2.72Å; L369-R371 VanDerWaalsContact C-N 3.33Å; L369-R371 PolarHBondContact O-N 3.31Å; R371-N373 PolarHBondContact O-N 3.36Å; R371-N373 VanDerWaalsContact O-N 3.12Å
372I90.6Very high89.3Confident29 Ų2975.2 Ų75.215%0.14935%0.35CS..  trans-80.495.5175.1-59175.6000109L369 E370 K414 L415 P418 F634 R638L369-I372 PolarHBondContact O-N 2.74Å; E370-I372 PolarHBondContact O-N 2.66Å; I372-K414 HydrophobicContact CD1-CB 4.36Å; I372-K414 WeakPolarHBondContact CD1-O 3.29Å; I372-K414 HydrophobicContact CG2-CB 4.28Å; I372-K414 HydrophobicContact CG2-CD 4.23Å; I372-L415 HydrophobicContact CD1-CD2 4.13Å; I372-P418 HydrophobicContact CD1-CG 3.58Å; I372-F634 HydrophobicContact CB-CZ 4.39Å; I372-F634 HydrophobicContact CG2-CE1 4.06Å; I372-F634 HydrophobicContact CG2-CZ 3.64Å; I372-R638 PolarHBondContact O-NH2 3.09Å
373N87.8Confident89.1Confident70 Ų7069.7 Ų69.737%0.37433%0.325SS..  trans-81.2122.5167.6-179.4-41.8000109.5R371 T375 K376R371-N373 PolarHBondContact O-N 3.36Å; R371-N373 VanDerWaalsContact O-N 3.12Å; N373-T375 PolarHBondContact OD1-N 3.42Å; N373-T375 PolarHBondContact OD1-OG1 3.33Å; N373-T375 VanDerWaalsContact OD1-OG1 3.06Å; N373-K376 HydrophobicContact CB-CB 3.95Å; N373-K376 PolarHBondContact OD1-N 3.11Å
374P81.4Confident88.8Confident3 Ų366.9 Ų66.92%0.01931%0.312CS..SBendtrans-71.6-33.8-177.827.6-33.9000113.7Q411 V630 Q631 F634P374-Q411 HydrophobicContact CB-CB 4.35Å; P374-Q411 HydrophobicContact CB-CG 3.91Å; P374-Q411 PolarHBondContact O-OE1 2.9Å; P374-V630 HydrophobicContact CB-CG1 4.45Å; P374-Q631 HydrophobicContact CG-CB 4.26Å; P374-Q631 HydrophobicContact CG-CG 4.08Å; P374-F634 HydrophobicContact CB-CB 4.14Å; P374-F634 HydrophobicContact CB-CD1 3.63Å; P374-F634 HydrophobicContact CB-CE1 4.13Å; P374-F634 HydrophobicContact CB-CG 3.85Å; P374-F634 HydrophobicContact CG-CB 4.34Å; P374-F634 HydrophobicContact CG-CD1 3.65Å; P374-F634 HydrophobicContact CG-CE1 4.29Å; P374-F634 HydrophobicContact CG-CG 4.22Å
375T81.2Confident88.5Confident32 Ų3267.6 Ų67.620%0.19632%0.316CS..SBendtrans-88-23.3-174.7520000113.2N373 N377 L378 E627 Q631N373-T375 PolarHBondContact OD1-N 3.42Å; N373-T375 PolarHBondContact OD1-OG1 3.33Å; N373-T375 VanDerWaalsContact OD1-OG1 3.06Å; T375-N377 PolarHBondContact O-N 3.45Å; T375-L378 PolarHBondContact O-N 3.47Å; T375-E627 HydrophobicContact CG2-CB 4.33Å; T375-Q631 HydrophobicContact CG2-CB 4.18Å
376K79.3Confident88.2Confident171 Ų17167.9 Ų67.974%0.74332%0.32SS*.THydrogen-bonded Turntrans-53.2-30.5-178.5-175.2174.7-179.7178.50114.7N373N373-K376 HydrophobicContact CB-CB 3.95Å; N373-K376 PolarHBondContact OD1-N 3.11Å
377N77.7Confident87.9Confident98 Ų9863.2 Ų63.252%0.52430%0.302SS..THydrogen-bonded Turntrans-108.716.2179.2-66.219.1000113T375T375-N377 PolarHBondContact O-N 3.45Å
378L83.3Confident87.6Confident14 Ų1465.4 Ų65.47%0.07331%0.308CS..  trans-107.7102.4173-67.2-180000108.5T375 I383 L407 V630T375-L378 PolarHBondContact O-N 3.47Å; L378-I383 HydrophobicContact CB-CD1 4.17Å; L378-I383 HydrophobicContact CB-CG1 4.34Å; L378-L407 HydrophobicContact CD2-CD2 3.89Å; L378-V630 HydrophobicContact CD1-CG1 4.02Å
379R84.6Confident87.3Confident186 Ų18669.6 Ų69.670%0.70233%0.326SS*.  trans-76.2145.5170.6-52.7166.9-176.71780.9107.7V381 D382 I383R379-V381 PolarHBondContact O-N 3.47Å; R379-V381 VanDerWaalsContact O-N 3.11Å; R379-D382 HydrophobicContact CB-CB 4.45Å; R379-D382 VanDerWaalsContact CB-OD2 3.25Å; R379-D382 WeakPolarHBondContact CB-OD2 3.28Å; R379-D382 VanDerWaalsContact CG-OD2 3.3Å; R379-D382 WeakPolarHBondContact CG-OD2 3.35Å; R379-D382 PolarHBondContact N-OD2 2.97Å; R379-D382 WeakPolarHBondContact O-CA 3.5Å; R379-D382 WeakPolarHBondContact O-CB 3.45Å; R379-D382 PolarHBondContact O-N 3.33Å; R379-I383 PolarHBondContact O-N 2.79Å; R379-I383 VanDerWaalsContact O-N 3.08Å
380K86.4Confident87Confident72 Ų7271.3 Ų71.331%0.31334%0.34SS..Hα-helixtrans-51.1-37.2171-68.2-177.5175.2-176.40112.6D382 I383 L384 L615 C623 E627K380-D382 PolarHBondContact O-N 2.78Å; K380-I383 PolarHBondContact O-N 3.19Å; K380-L384 WeakPolarHBondContact O-CB 3.4Å; K380-L384 VanDerWaalsContact O-CG 3.26Å; K380-L384 WeakPolarHBondContact O-CG 3.42Å; K380-L384 PolarHBondContact O-N 3Å; K380-L615 HydrophobicContact CB-CD1 4.36Å; K380-L615 HydrophobicContact CD-CD1 4.35Å; K380-C623 HydrophobicContact CG-CB 4.25Å; K380-E627 WeakPolarHBondContact CG-OE1 3.48Å
381V87.1Confident86.7Confident89 Ų8967.9 Ų67.954%0.53933%0.325SS..Hα-helixtrans-60.3-43.4173.5-174.60000111.8R379 I383 L384 T385R379-V381 PolarHBondContact O-N 3.47Å; R379-V381 VanDerWaalsContact O-N 3.11Å; V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 3.26Å; V381-L384 PolarHBondContact O-N 2.87Å; V381-T385 WeakPolarHBondContact O-CB 3.43Å; V381-T385 PolarHBondContact O-N 3.23Å; V381-T385 PolarHBondContact O-OG1 2.96Å
382D89Confident86.5Confident45 Ų4560 Ų6024%0.24131%0.31CS..Hα-helixtrans-64.1-38.9177.2-52.2-38.2000111.3R379 K380 T385 A386R379-D382 HydrophobicContact CB-CB 4.45Å; R379-D382 VanDerWaalsContact CB-OD2 3.25Å; R379-D382 WeakPolarHBondContact CB-OD2 3.28Å; R379-D382 VanDerWaalsContact CG-OD2 3.3Å; R379-D382 WeakPolarHBondContact CG-OD2 3.35Å; R379-D382 PolarHBondContact N-OD2 2.97Å; R379-D382 WeakPolarHBondContact O-CA 3.5Å; R379-D382 WeakPolarHBondContact O-CB 3.45Å; R379-D382 PolarHBondContact O-N 3.33Å; K380-D382 PolarHBondContact O-N 2.78Å; D382-T385 PolarHBondContact O-N 3.1Å; D382-A386 PolarHBondContact O-N 2.89Å
383I90.1Very high86.3Confident0 Ų065.2 Ų65.20%035%0.345CS..Hα-helixtrans-67.4-44.2177.8-59.2178.2000110.5L378 R379 K380 V381 A386 I387 L407 I626 E627L378-I383 HydrophobicContact CB-CD1 4.17Å; L378-I383 HydrophobicContact CB-CG1 4.34Å; R379-I383 PolarHBondContact O-N 2.79Å; R379-I383 VanDerWaalsContact O-N 3.08Å; K380-I383 PolarHBondContact O-N 3.19Å; V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 3.26Å; I383-A386 WeakPolarHBondContact O-CB 3.2Å; I383-A386 PolarHBondContact O-N 3.42Å; I383-A386 VanDerWaalsContact O-N 3.14Å; I383-I387 HydrophobicContact CG2-CD1 4.04Å; I383-I387 WeakPolarHBondContact O-CG1 3.17Å; I383-I387 PolarHBondContact O-N 2.88Å; I383-L407 HydrophobicContact CB-CD1 4.36Å; I383-L407 HydrophobicContact CG1-CD1 4.12Å; I383-L407 HydrophobicContact CG2-CD1 4.13Å; I383-I626 HydrophobicContact CG2-CB 3.95Å; I383-I626 HydrophobicContact CG2-CD1 4.01Å; I383-I626 HydrophobicContact CG2-CG1 4.48Å; I383-I626 HydrophobicContact CG2-CG2 3.94Å; I383-E627 HydrophobicContact CD1-CG 3.45Å; I383-E627 VanDerWaalsContact CD1-CG 3.45Å
384L89.2Confident86Confident11 Ų1171 Ų716%0.05836%0.362CS..Hα-helixtrans-66-37.4175.5-69.3164.2000112.3K380 V381 A386 I387 R388 L615 E619 C623K380-L384 WeakPolarHBondContact O-CB 3.4Å; K380-L384 VanDerWaalsContact O-CG 3.26Å; K380-L384 WeakPolarHBondContact O-CG 3.42Å; K380-L384 PolarHBondContact O-N 3Å; V381-L384 PolarHBondContact O-N 2.87Å; L384-A386 VanDerWaalsContact C-N 3.31Å; L384-I387 HydrophobicContact CD2-CD1 4.34Å; L384-I387 PolarHBondContact O-N 3.29Å; L384-R388 VanDerWaalsContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CB 3.23Å; L384-R388 VanDerWaalsContact O-CG 3.26Å; L384-R388 WeakPolarHBondContact O-CG 3.16Å; L384-R388 PolarHBondContact O-N 3.34Å; L384-L615 HydrophobicContact CD1-CD1 3.98Å; L384-L615 HydrophobicContact CD1-CD2 3.34Å; L384-L615 HydrophobicContact CD1-CG 4.27Å; L384-E619 HydrophobicContact CD2-CB 3.64Å; L384-E619 HydrophobicContact CD2-CG 3.76Å; L384-C623 VanDerWaalsContact CG-SG 3.53Å
385T89.7Confident85.8Confident66 Ų6676.6 Ų76.641%0.40540%0.398SS..Hα-helixtrans-61.4-41.6170.6-59.50000110.7V381 D382 N389V381-T385 WeakPolarHBondContact O-CB 3.43Å; V381-T385 PolarHBondContact O-N 3.23Å; V381-T385 PolarHBondContact O-OG1 2.96Å; D382-T385 PolarHBondContact O-N 3.1Å; T385-N389 WeakPolarHBondContact O-CB 3.47Å; T385-N389 PolarHBondContact O-N 3.34Å; T385-N389 PolarHBondContact O-ND2 3.26Å; T385-N389 PolarHBondContact O-OD1 3.49Å
386A89.9Confident85.4Confident11 Ų1177.2 Ų77.29%0.09140%0.401CS..Hα-helixtrans-64.8-44.2174.400000112.8D382 I383 L384 A390 A403 L407D382-A386 PolarHBondContact O-N 2.89Å; I383-A386 WeakPolarHBondContact O-CB 3.2Å; I383-A386 PolarHBondContact O-N 3.42Å; I383-A386 VanDerWaalsContact O-N 3.14Å; L384-A386 VanDerWaalsContact C-N 3.31Å; A386-A390 WeakPolarHBondContact O-CB 3.29Å; A386-A390 PolarHBondContact O-N 3.45Å; A386-A403 HydrophobicContact CB-CB 4.33Å; A386-L407 HydrophobicContact CB-CD1 3.91Å; A386-L407 HydrophobicContact CB-CD2 4.22Å; A386-L407 HydrophobicContact CB-CG 4.1Å
387I88.3Confident85.4Confident7 Ų775.5 Ų75.54%0.03640%0.399CS..Hα-helixtrans-60.3-52.6175.6-68.1163.8000110.6I383 L384 N389 A390 T391 A403 D622 I626I383-I387 HydrophobicContact CG2-CD1 4.04Å; I383-I387 WeakPolarHBondContact O-CG1 3.17Å; I383-I387 PolarHBondContact O-N 2.88Å; L384-I387 HydrophobicContact CD2-CD1 4.34Å; L384-I387 PolarHBondContact O-N 3.29Å; I387-N389 PolarHBondContact O-N 3.49Å; I387-A390 PolarHBondContact O-N 2.77Å; I387-T391 WeakPolarHBondContact O-CB 3.25Å; I387-T391 PolarHBondContact O-N 2.83Å; I387-T391 PolarHBondContact O-OG1 3.38Å; I387-A403 HydrophobicContact CG1-CB 4.21Å; I387-D622 HydrophobicContact CD1-CB 4.08Å; I387-I626 HydrophobicContact CD1-CD1 3.77Å; I387-I626 HydrophobicContact CG1-CD1 3.59Å
388R89Confident85.7Confident135 Ų13579.1 Ų79.151%0.50941%0.411SS..Hα-helixtrans-62.6-41.9-178.5-69.9175.8179.7-161.41.8111.3L384 T391 G392 E619L384-R388 VanDerWaalsContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CB 3.23Å; L384-R388 VanDerWaalsContact O-CG 3.26Å; L384-R388 WeakPolarHBondContact O-CG 3.16Å; L384-R388 PolarHBondContact O-N 3.34Å; R388-T391 PolarHBondContact O-N 2.9Å; R388-G392 PolarHBondContact O-N 3.43Å; R388-E619 IonicContact CZ-OE1 3.51Å; R388-E619 IonicContact NE-OE1 3.5Å; R388-E619 PolarHBondContact NE-OE1 3Å; R388-E619 IonicContact NH2-OE1 2.69Å; R388-E619 PolarHBondContact NH2-OE1 3.12Å
389N89.1Confident85.7Confident123 Ų12380.6 Ų80.666%0.65842%0.419SS*.Hα-helixtrans-68.7-38.5176.6-69.7-7.1000113T385 I387 T391T385-N389 WeakPolarHBondContact O-CB 3.47Å; T385-N389 PolarHBondContact O-N 3.34Å; T385-N389 PolarHBondContact O-ND2 3.26Å; T385-N389 PolarHBondContact O-OD1 3.49Å; I387-N389 PolarHBondContact O-N 3.49Å; N389-T391 VanDerWaalsContact C-N 3.29Å; N389-T391 PolarHBondContact O-N 3.25Å
390A88.3Confident85.8Confident35 Ų3573 Ų7329%0.28939%0.393SS..Hα-helixtrans-70.8-25.7175.400000112.9A386 I387 P400 I402 A403A386-A390 WeakPolarHBondContact O-CB 3.29Å; A386-A390 PolarHBondContact O-N 3.45Å; I387-A390 PolarHBondContact O-N 2.77Å; A390-P400 HydrophobicContact CB-CB 3.88Å; A390-P400 HydrophobicContact CB-CG 4.27Å; A390-I402 HydrophobicContact CB-CB 4.28Å; A390-I402 HydrophobicContact CB-CG2 4.35Å; A390-A403 HydrophobicContact CB-CB 4.02Å
391T87.3Confident85.9Confident19 Ų1977 Ų7712%0.11741%0.413CS..Hα-helixtrans-76.4-42.8174.1-58.30000111.7I387 R388 N389 R394 V396 P400I387-T391 WeakPolarHBondContact O-CB 3.25Å; I387-T391 PolarHBondContact O-N 2.83Å; I387-T391 PolarHBondContact O-OG1 3.38Å; R388-T391 PolarHBondContact O-N 2.9Å; N389-T391 VanDerWaalsContact C-N 3.29Å; N389-T391 PolarHBondContact O-N 3.25Å; T391-R394 HydrophobicContact CG2-CB 4.13Å; T391-R394 WeakPolarHBondContact CG2-O 3.13Å; T391-V396 HydrophobicContact CG2-CG2 3.58Å; T391-P400 WeakPolarHBondContact OG1-CG 3.3Å
392G86.6Confident86Confident45 Ų4577.8 Ų77.846%0.46441%0.413SS..THydrogen-bonded Turntrans61.7-133.8-173.400000111.7R388 R394R388-G392 PolarHBondContact O-N 3.43Å; G392-R394 PolarHBondContact O-N 2.81Å
393P86.9Confident86.1Confident137 Ų13775.7 Ų75.789%0.8940%0.402SS*.THydrogen-bonded Turntrans-81.312.3-173.535.6-38000114.5
394R80.6Confident86.1Confident193 Ų19376.3 Ų76.373%0.72841%0.405SS*.SBendtrans-96.7146.3-171.6-63.1176.2178168.7-0.5111.7T391 G392T391-R394 HydrophobicContact CG2-CB 4.13Å; T391-R394 WeakPolarHBondContact CG2-O 3.13Å; G392-R394 PolarHBondContact O-N 2.81Å
395P77.7Confident86.2Confident120 Ų12079.4 Ų79.478%0.77942%0.419SS*.PPolyproline II helixtrans-69.7133.8167.828.9-33.1000110.5L397P395-L397 PolarHBondContact O-N 3.21Å
396V73.7Confident86.3Confident44 Ų4479.4 Ų79.427%0.26742%0.416SS..PPolyproline II helixtrans-78.6118.8-178.6-175.30000110.9T391 F398 R618T391-V396 HydrophobicContact CG2-CG2 3.58Å; V396-F398 WeakPolarHBondContact CG1-O 3.23Å; V396-R618 VanDerWaalsContact O-CZ 3.3Å; V396-R618 PolarHBondContact O-NH1 3.36Å; V396-R618 PolarHBondContact O-NH2 3.11Å
397L80Confident86.4Confident135 Ų13579 Ų7971%0.70741%0.412SS*.SBendtrans-101.2-42.5164.4-65.2-179.9000111.7P395 R618P395-L397 PolarHBondContact O-N 3.21Å; L397-R618 PolarHBondContact O-NH2 3.07Å
398F83.2Confident86.7Confident174 Ų17478.7 Ų78.776%0.76341%0.411SS*.SBendtrans-131.8160.2178.4-58.3-76.9000110.9V396V396-F398 WeakPolarHBondContact CG1-O 3.23Å
399I84Confident86.9Confident46 Ų4674.5 Ų74.524%0.23640%0.396CS..  trans-66.5127.6178.8-58.2174.1000109.6E401 D622 I625 I626I399-E401 PolarHBondContact O-N 2.73Å; I399-D622 HydrophobicContact CD1-CB 3.96Å; I399-D622 HydrophobicContact CG1-CB 4.09Å; I399-I625 HydrophobicContact CD1-CB 3.78Å; I399-I625 HydrophobicContact CD1-CD1 3.71Å; I399-I625 HydrophobicContact CD1-CG1 4.34Å; I399-I625 HydrophobicContact CD1-CG2 3.66Å; I399-I626 HydrophobicContact CG2-CD1 3.71Å; I399-I626 HydrophobicContact CG2-CG1 3.89Å
400P87.1Confident87.1Confident25 Ų2575.1 Ų75.116%0.16239%0.389CS..  trans-68.8122.8177.2-18.831.5000112.2A390 T391 I402 A403A390-P400 HydrophobicContact CB-CB 3.88Å; A390-P400 HydrophobicContact CB-CG 4.27Å; T391-P400 WeakPolarHBondContact OG1-CG 3.3Å; P400-I402 PolarHBondContact O-N 2.88Å; P400-I402 VanDerWaalsContact O-N 3.16Å; P400-A403 WeakPolarHBondContact O-CB 3.33Å; P400-A403 PolarHBondContact O-N 2.69Å
401E86.9Confident87.3Confident157 Ų15773.5 Ų73.573%0.73438%0.376SS*.Hα-helixtrans-54-36176.8-62.2179.416900112.7I399 A403 F404 E405I399-E401 PolarHBondContact O-N 2.73Å; E401-A403 PolarHBondContact O-N 2.98Å; E401-F404 WeakPolarHBondContact O-CA 3.24Å; E401-F404 WeakPolarHBondContact O-CB 3.39Å; E401-F404 PolarHBondContact O-N 2.88Å; E401-E405 PolarHBondContact O-N 2.88Å
402I90Very high87.7Confident106 Ų10672.6 Ų72.654%0.54437%0.37SS..Hα-helixtrans-57.2-33.1177.5-59.5170.2000111.9A390 P400 L406A390-I402 HydrophobicContact CB-CB 4.28Å; A390-I402 HydrophobicContact CB-CG2 4.35Å; P400-I402 PolarHBondContact O-N 2.88Å; P400-I402 VanDerWaalsContact O-N 3.16Å; I402-L406 VanDerWaalsContact O-CB 3.27Å; I402-L406 WeakPolarHBondContact O-CB 3.39Å; I402-L406 PolarHBondContact O-N 3.1Å
403A90.2Very high88.1Confident1 Ų174.1 Ų74.11%0.00837%0.371CS..Hα-helixtrans-69.4-40.7177.100000111.4A386 I387 A390 P400 E401 L407 I626A386-A403 HydrophobicContact CB-CB 4.33Å; I387-A403 HydrophobicContact CG1-CB 4.21Å; A390-A403 HydrophobicContact CB-CB 4.02Å; P400-A403 WeakPolarHBondContact O-CB 3.33Å; P400-A403 PolarHBondContact O-N 2.69Å; E401-A403 PolarHBondContact O-N 2.98Å; A403-L407 WeakPolarHBondContact O-CB 3.42Å; A403-L407 WeakPolarHBondContact O-CD1 3.38Å; A403-L407 WeakPolarHBondContact O-CG 3.37Å; A403-L407 PolarHBondContact O-N 2.9Å; A403-I626 HydrophobicContact CB-CD1 4.07Å
404F90.9Very high88.4Confident13 Ų1370.6 Ų70.66%0.05734%0.341CS..Hα-helixtrans-63.6-49171.7155.7-98.4000111E401 L406 L407 V408 I485 T487 F492 L629 V630 Y633E401-F404 WeakPolarHBondContact O-CA 3.24Å; E401-F404 WeakPolarHBondContact O-CB 3.39Å; E401-F404 PolarHBondContact O-N 2.88Å; F404-L406 PolarHBondContact O-N 2.78Å; F404-L407 PolarHBondContact O-N 3.49Å; F404-V408 HydrophobicContact CD2-CG2 3.7Å; F404-V408 HydrophobicContact CE1-CG2 4.43Å; F404-V408 HydrophobicContact CE2-CG2 3.31Å; F404-V408 HydrophobicContact CG-CG2 4.4Å; F404-V408 HydrophobicContact CZ-CG2 3.74Å; F404-V408 WeakPolarHBondContact O-CG2 3.46Å; F404-V408 PolarHBondContact O-N 2.67Å; F404-I485 HydrophobicContact CE1-CG2 3.94Å; F404-I485 HydrophobicContact CZ-CG2 4.38Å; F404-T487 HydrophobicContact CE1-CG2 3.94Å; F404-F492 HydrophobicContact CE2-CZ 4.13Å; F404-F492 HydrophobicContact CZ-CE1 4.43Å; F404-F492 HydrophobicContact CZ-CE2 4.29Å; F404-F492 AromaticContact CZ-CZ 3.7Å; F404-F492 HydrophobicContact CZ-CZ 3.7Å; F404-L629 HydrophobicContact CD2-CB 3.66Å; F404-L629 HydrophobicContact CE2-CB 3.69Å; F404-V630 HydrophobicContact CD2-CG2 4.04Å; F404-Y633 HydrophobicContact CZ-CD2 4.44Å; F404-Y633 HydrophobicContact CZ-CG 4.29Å
405E91.7Very high89.1Confident75 Ų7561.4 Ų61.435%0.3531%0.306SS..Hα-helixtrans-55.7-50.1-179.2-166.1-160.9155.300111.8E401 L407 V408 K409 I485E401-E405 PolarHBondContact O-N 2.88Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-L407 PolarHBondContact O-N 3.08Å; E405-V408 PolarHBondContact O-N 3.36Å; E405-K409 HydrophobicContact CG-CD 4.32Å; E405-K409 WeakPolarHBondContact O-CG 3.5Å; E405-K409 PolarHBondContact O-N 3.03Å; E405-K409 WeakPolarHBondContact OE1-CE 3.48Å; E405-K409 IonicContact OE1-NZ 2.64Å; E405-K409 PolarHBondContact OE1-NZ 3.08Å; E405-I485 HydrophobicContact CG-CD1 3.86Å
406L91.3Very high90Very high67 Ų6757.8 Ų57.835%0.35128%0.28SS..Hα-helixtrans-59.2-43.3178.5-177.3155.9000112I402 F404 R410 F587I402-L406 VanDerWaalsContact O-CB 3.27Å; I402-L406 WeakPolarHBondContact O-CB 3.39Å; I402-L406 PolarHBondContact O-N 3.1Å; F404-L406 PolarHBondContact O-N 2.78Å; L406-R410 WeakPolarHBondContact O-CB 3.37Å; L406-R410 PolarHBondContact O-N 2.87Å; L406-F587 HydrophobicContact CD1-CE2 4Å; L406-F587 HydrophobicContact CD1-CZ 3.99Å; L406-F587 HydrophobicContact CG-CZ 4.13Å
407L92.2Very high91.1Very high2 Ų261.9 Ų61.91%0.0130%0.297CS..Hα-helixtrans-74.1-34.2-177.9-68.4170.9000112.6L378 I383 A386 A403 F404 E405 Q411 I626 V630L378-L407 HydrophobicContact CD2-CD2 3.89Å; I383-L407 HydrophobicContact CB-CD1 4.36Å; I383-L407 HydrophobicContact CG1-CD1 4.12Å; I383-L407 HydrophobicContact CG2-CD1 4.13Å; A386-L407 HydrophobicContact CB-CD1 3.91Å; A386-L407 HydrophobicContact CB-CD2 4.22Å; A386-L407 HydrophobicContact CB-CG 4.1Å; A403-L407 WeakPolarHBondContact O-CB 3.42Å; A403-L407 WeakPolarHBondContact O-CD1 3.38Å; A403-L407 WeakPolarHBondContact O-CG 3.37Å; A403-L407 PolarHBondContact O-N 2.9Å; F404-L407 PolarHBondContact O-N 3.49Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-L407 PolarHBondContact O-N 3.08Å; L407-Q411 WeakPolarHBondContact O-CG 3.39Å; L407-Q411 PolarHBondContact O-N 3.15Å; L407-Q411 PolarHBondContact O-NE2 3.24Å; L407-I626 HydrophobicContact CD1-CG2 3.68Å; L407-V630 HydrophobicContact CB-CG2 4.06Å
408V93.2Very high91.9Very high0 Ų056.4 Ų56.40%027%0.269CS..Hα-helixtrans-65.4-51.5171.5169.30000111.2F404 E405 R410 Q411 I412 I485 V630 Y633F404-V408 HydrophobicContact CD2-CG2 3.7Å; F404-V408 HydrophobicContact CE1-CG2 4.43Å; F404-V408 HydrophobicContact CE2-CG2 3.31Å; F404-V408 HydrophobicContact CG-CG2 4.4Å; F404-V408 HydrophobicContact CZ-CG2 3.74Å; F404-V408 WeakPolarHBondContact O-CG2 3.46Å; F404-V408 PolarHBondContact O-N 2.67Å; E405-V408 PolarHBondContact O-N 3.36Å; V408-R410 PolarHBondContact O-N 3.37Å; V408-Q411 WeakPolarHBondContact O-CA 3.07Å; V408-Q411 PolarHBondContact O-N 3.04Å; V408-I412 HydrophobicContact CG1-CD1 3.55Å; V408-I412 HydrophobicContact CG1-CG1 4.06Å; V408-I412 PolarHBondContact O-N 2.96Å; V408-I485 HydrophobicContact CB-CD1 3.83Å; V408-I485 HydrophobicContact CG1-CD1 3.5Å; V408-I485 VanDerWaalsContact CG1-CD1 3.5Å; V408-I485 HydrophobicContact CG1-CG1 4.45Å; V408-V630 HydrophobicContact CG2-CB 4.17Å; V408-V630 HydrophobicContact CG2-CG1 4.23Å; V408-V630 HydrophobicContact CG2-CG2 3.81Å; V408-Y633 HydrophobicContact CG1-CD1 3.49Å; V408-Y633 VanDerWaalsContact CG1-CD1 3.49Å; V408-Y633 HydrophobicContact CG1-CE1 4.07Å; V408-Y633 HydrophobicContact CG1-CG 4.31Å
409K94.6Very high92.6Very high48 Ų4848.1 Ų48.121%0.20923%0.233CC..Hα-helixtrans-56.2-40.2179.7-71.1-176.9178.3-175.20111.2E405 Q411 I412 V413 L482 I485E405-K409 HydrophobicContact CG-CD 4.32Å; E405-K409 WeakPolarHBondContact O-CG 3.5Å; E405-K409 PolarHBondContact O-N 3.03Å; E405-K409 WeakPolarHBondContact OE1-CE 3.48Å; E405-K409 IonicContact OE1-NZ 2.64Å; E405-K409 PolarHBondContact OE1-NZ 3.08Å; K409-Q411 VanDerWaalsContact C-N 3.25Å; K409-Q411 PolarHBondContact O-N 3.18Å; K409-I412 PolarHBondContact O-N 3.16Å; K409-V413 WeakPolarHBondContact O-CG2 3.13Å; K409-V413 PolarHBondContact O-N 3.39Å; K409-L482 HydrophobicContact CB-CD2 3.81Å; K409-L482 WeakPolarHBondContact CE-O 3.38Å; K409-L482 HydrophobicContact CG-CD2 4Å; K409-L482 PolarHBondContact NZ-O 2.89Å; K409-L482 WeakPolarHBondContact O-CD2 3.46Å; K409-I485 HydrophobicContact CD-CD1 4.3Å; K409-I485 HydrophobicContact CG-CD1 3.62Å
410R92.4Very high93.2Very high135 Ų13547.5 Ų47.551%0.50923%0.23SC..Hα-helixtrans-62.3-23173.4-173176.4177.7-152.3-2.5114.5L406 V408L406-R410 WeakPolarHBondContact O-CB 3.37Å; L406-R410 PolarHBondContact O-N 2.87Å; V408-R410 PolarHBondContact O-N 3.37Å
411Q93Very high93.7Very high1 Ų153.6 Ų53.61%0.00525%0.25CC..Hα-helixtrans-85.6-44.9170.4-51.3-34.2-57.500111.8P374 L407 V408 K409 V413 K414 V630 F634P374-Q411 HydrophobicContact CB-CB 4.35Å; P374-Q411 HydrophobicContact CB-CG 3.91Å; P374-Q411 PolarHBondContact O-OE1 2.9Å; L407-Q411 WeakPolarHBondContact O-CG 3.39Å; L407-Q411 PolarHBondContact O-N 3.15Å; L407-Q411 PolarHBondContact O-NE2 3.24Å; V408-Q411 WeakPolarHBondContact O-CA 3.07Å; V408-Q411 PolarHBondContact O-N 3.04Å; K409-Q411 VanDerWaalsContact C-N 3.25Å; K409-Q411 PolarHBondContact O-N 3.18Å; Q411-V413 VanDerWaalsContact C-N 3.29Å; Q411-V413 PolarHBondContact O-N 3.27Å; Q411-K414 VanDerWaalsContact O-CB 3.24Å; Q411-K414 WeakPolarHBondContact O-CB 3.23Å; Q411-K414 WeakPolarHBondContact O-CG 3.47Å; Q411-K414 PolarHBondContact O-N 3.39Å; Q411-V630 HydrophobicContact CG-CG1 3.85Å; Q411-F634 HydrophobicContact CB-CD2 3.52Å; Q411-F634 HydrophobicContact CB-CE2 3.68Å; Q411-F634 HydrophobicContact CB-CG 4.27Å; Q411-F634 WeakPolarHBondContact O-CE2 3.45Å
412I94.9Very high94.2Very high0 Ų046.2 Ų46.20%022%0.215CC..Hα-helixtrans-56.2-41.3-176.7-67.5174.4000111.7V408 K409 K414 L415 I478 Q481 L482 Y633 F634 V637V408-I412 HydrophobicContact CG1-CD1 3.55Å; V408-I412 HydrophobicContact CG1-CG1 4.06Å; V408-I412 PolarHBondContact O-N 2.96Å; K409-I412 PolarHBondContact O-N 3.16Å; I412-K414 PolarHBondContact O-N 2.87Å; I412-L415 VanDerWaalsContact O-CB 3.31Å; I412-L415 WeakPolarHBondContact O-CB 3.43Å; I412-L415 WeakPolarHBondContact O-CG 3.27Å; I412-L415 PolarHBondContact O-N 3.49Å; I412-I478 HydrophobicContact CG2-CG2 4.34Å; I412-Q481 HydrophobicContact CG2-CB 3.85Å; I412-L482 HydrophobicContact CB-CD2 3.77Å; I412-L482 HydrophobicContact CG2-CD2 3.69Å; I412-L482 HydrophobicContact CG2-CG 3.94Å; I412-Y633 HydrophobicContact CD1-CD1 4.37Å; I412-Y633 HydrophobicContact CD1-CE1 4.08Å; I412-F634 HydrophobicContact CG1-CD2 4.38Å; I412-V637 HydrophobicContact CD1-CG1 4.25Å; I412-V637 HydrophobicContact CD1-CG2 4.01Å; I412-V637 HydrophobicContact CG1-CB 4.47Å; I412-V637 HydrophobicContact CG1-CG1 4.1Å; I412-V637 HydrophobicContact CG1-CG2 4.48Å; I412-V637 HydrophobicContact CG2-CG1 4.21Å
413V95.1Very high94.6Very high78 Ų7841.2 Ų41.247%0.47319%0.189SC..G310 helixtrans-52.3-31.9175.8172.50000112.8K409 Q411 L415 L416 L482K409-V413 WeakPolarHBondContact O-CG2 3.13Å; K409-V413 PolarHBondContact O-N 3.39Å; Q411-V413 VanDerWaalsContact C-N 3.29Å; Q411-V413 PolarHBondContact O-N 3.27Å; V413-L415 PolarHBondContact O-N 2.84Å; V413-L416 WeakPolarHBondContact O-CB 3.43Å; V413-L416 PolarHBondContact O-N 3.21Å; V413-L482 HydrophobicContact CG2-CD1 3.67Å; V413-L482 HydrophobicContact CG2-CD2 3.94Å; V413-L482 HydrophobicContact CG2-CG 4.48Å
414K94.6Very high95Very high62 Ų6244.2 Ų44.227%0.2721%0.205SC..G310 helixtrans-67.3-15.9-180-57.4174.9178173.70113.7I372 Q411 I412 L416 P418I372-K414 HydrophobicContact CD1-CB 4.36Å; I372-K414 WeakPolarHBondContact CD1-O 3.29Å; I372-K414 HydrophobicContact CG2-CB 4.28Å; I372-K414 HydrophobicContact CG2-CD 4.23Å; Q411-K414 VanDerWaalsContact O-CB 3.24Å; Q411-K414 WeakPolarHBondContact O-CB 3.23Å; Q411-K414 WeakPolarHBondContact O-CG 3.47Å; Q411-K414 PolarHBondContact O-N 3.39Å; I412-K414 PolarHBondContact O-N 2.87Å; K414-L416 VanDerWaalsContact C-N 3.31Å; K414-P418 WeakPolarHBondContact O-CD 3.32Å
415L95.6Very high95.3Very high0 Ų046.3 Ų46.30%022%0.217CC..G310 helixtrans-77.5-17.1178.2-58.2180000112.7L369 I372 I412 V413 S419 I478 F634 V637 V641L369-L415 HydrophobicContact CD2-CD2 3.92Å; I372-L415 HydrophobicContact CD1-CD2 4.13Å; I412-L415 VanDerWaalsContact O-CB 3.31Å; I412-L415 WeakPolarHBondContact O-CB 3.43Å; I412-L415 WeakPolarHBondContact O-CG 3.27Å; I412-L415 PolarHBondContact O-N 3.49Å; V413-L415 PolarHBondContact O-N 2.84Å; L415-S419 WeakPolarHBondContact O-CB 3.43Å; L415-S419 PolarHBondContact O-N 3.32Å; L415-S419 PolarHBondContact O-OG 3.25Å; L415-I478 HydrophobicContact CB-CD1 4.07Å; L415-F634 HydrophobicContact CD1-CE2 3.93Å; L415-F634 HydrophobicContact CD1-CZ 4.32Å; L415-F634 HydrophobicContact CD2-CE1 4.47Å; L415-F634 HydrophobicContact CD2-CE2 3.91Å; L415-F634 HydrophobicContact CD2-CZ 3.52Å; L415-F634 HydrophobicContact CG-CE2 3.85Å; L415-F634 HydrophobicContact CG-CZ 4.01Å; L415-V637 HydrophobicContact CD1-CG1 3.94Å; L415-V641 HydrophobicContact CB-CG1 4.39Å; L415-V641 HydrophobicContact CD1-CB 4.39Å; L415-V641 HydrophobicContact CD1-CG2 4.02Å
416L96.5Very high95.5Very high45 Ų4542.8 Ų42.824%0.23620%0.2CC..Hα-helixtrans-65.4-49.9-179.4-178.759.3000112.5V413 K414 S419 L420 V474 E475 I478V413-L416 WeakPolarHBondContact O-CB 3.43Å; V413-L416 PolarHBondContact O-N 3.21Å; K414-L416 VanDerWaalsContact C-N 3.31Å; L416-S419 CarbonylContact O-C 3.58Å; L416-S419 WeakPolarHBondContact O-CA 3.47Å; L416-S419 WeakPolarHBondContact O-CB 3.29Å; L416-S419 PolarHBondContact O-N 2.88Å; L416-L420 HydrophobicContact CD1-CD1 3.99Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 3.9Å; L416-L420 HydrophobicContact CD2-CD1 4.47Å; L416-L420 HydrophobicContact CG-CD1 3.89Å; L416-L420 HydrophobicContact CG-CG 4.23Å; L416-L420 PolarHBondContact O-N 2.88Å; L416-V474 HydrophobicContact CD1-CG1 4.04Å; L416-E475 HydrophobicContact CD1-CB 4.49Å; L416-E475 HydrophobicContact CD1-CG 3.85Å; L416-E475 HydrophobicContact CD2-CG 4.37Å; L416-I478 HydrophobicContact CB-CG1 4.22Å; L416-I478 HydrophobicContact CB-CG2 4.36Å; L416-I478 HydrophobicContact CD1-CB 4.4Å; L416-I478 HydrophobicContact CD1-CG1 3.96Å
417E96.3Very high95.8Very high130 Ų13040 Ų4061%0.60719%0.186SC*.Hα-helixtrans-57.5-49.5-178.1170.565.7-156.400113S419 R421E417-S419 PolarHBondContact O-N 3.47Å; E417-R421 VanDerWaalsContact O-CB 3.27Å; E417-R421 WeakPolarHBondContact O-CB 3.08Å; E417-R421 PolarHBondContact O-N 3.4Å
418P96.5Very high95.9Very high20 Ų2045.7 Ų45.713%0.1321%0.21CC..Hα-helixtrans-57.9-32170.1-23.630.4000114.6F365 A368 L369 I372 K414 C422F365-P418 HydrophobicContact CD2-CB 4.46Å; F365-P418 HydrophobicContact CE2-CB 4.18Å; A368-P418 HydrophobicContact CB-CB 4.2Å; L369-P418 HydrophobicContact CD2-CB 4.21Å; I372-P418 HydrophobicContact CD1-CG 3.58Å; K414-P418 WeakPolarHBondContact O-CD 3.32Å; P418-C422 WeakPolarHBondContact O-CB 3.45Å; P418-C422 PolarHBondContact O-N 2.92Å
419S97.5Very high96Very high0 Ų046 Ų460%021%0.212CC..Hα-helixtrans-76.6-45.6-176.1-57.40000111.4L415 L416 E417 C422 V423L415-S419 WeakPolarHBondContact O-CB 3.43Å; L415-S419 PolarHBondContact O-N 3.32Å; L415-S419 PolarHBondContact O-OG 3.25Å; L416-S419 CarbonylContact O-C 3.58Å; L416-S419 WeakPolarHBondContact O-CA 3.47Å; L416-S419 WeakPolarHBondContact O-CB 3.29Å; L416-S419 PolarHBondContact O-N 2.88Å; E417-S419 PolarHBondContact O-N 3.47Å; S419-C422 VanDerWaalsContact O-CB 3.23Å; S419-C422 WeakPolarHBondContact O-CB 3.2Å; S419-C422 PolarHBondContact O-N 2.9Å; S419-C422 VanDerWaalsContact O-N 3.08Å; S419-V423 PolarHBondContact O-N 3.46Å
420L97.7Very high96Very high32 Ų3243.7 Ų43.717%0.16820%0.202CC..Hα-helixtrans-61.1-44.9171.9-66176000111L416 C422 V423 D424 N471 V474 E475L416-L420 HydrophobicContact CD1-CD1 3.99Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 3.9Å; L416-L420 HydrophobicContact CD2-CD1 4.47Å; L416-L420 HydrophobicContact CG-CD1 3.89Å; L416-L420 HydrophobicContact CG-CG 4.23Å; L416-L420 PolarHBondContact O-N 2.88Å; L420-C422 PolarHBondContact O-N 3.14Å; L420-V423 WeakPolarHBondContact O-CA 3.37Å; L420-V423 VanDerWaalsContact O-CB 3.29Å; L420-V423 WeakPolarHBondContact O-CB 3.26Å; L420-V423 PolarHBondContact O-N 2.9Å; L420-D424 PolarHBondContact O-N 3.04Å; L420-D424 VanDerWaalsContact O-N 3.08Å; L420-N471 HydrophobicContact CD2-CB 3.73Å; L420-V474 HydrophobicContact CD2-CB 4.26Å; L420-V474 HydrophobicContact CD2-CG1 3.87Å; L420-V474 HydrophobicContact CG-CG1 4.3Å; L420-E475 HydrophobicContact CD2-CG 4.44Å
421R97.2Very high96.1Very high154 Ų15440.1 Ų40.158%0.58119%0.191SC*.Hα-helixtrans-61.6-25.1173.7-176.3172.8175.7163.82.5113.4E417 L425E417-R421 VanDerWaalsContact O-CB 3.27Å; E417-R421 WeakPolarHBondContact O-CB 3.08Å; E417-R421 PolarHBondContact O-N 3.4Å; R421-L425 HydrophobicContact CG-CD1 4.49Å; R421-L425 VanDerWaalsContact O-CG 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.44Å; R421-L425 PolarHBondContact O-N 3.3Å
422C97.8Very high96Very high2 Ų244.9 Ų44.91%0.01421%0.209CC..Hα-helixtrans-69.6-40.1172-167.80000111.2F365 P418 S419 L420 L425 V426 I649F365-C422 HydrophobicContact CB-CB 4.47Å; F365-C422 HydrophobicContact CD2-CB 3.78Å; F365-C422 HydrophobicContact CE2-CB 4.19Å; F365-C422 HydrophobicContact CG-CB 4.15Å; P418-C422 WeakPolarHBondContact O-CB 3.45Å; P418-C422 PolarHBondContact O-N 2.92Å; S419-C422 VanDerWaalsContact O-CB 3.23Å; S419-C422 WeakPolarHBondContact O-CB 3.2Å; S419-C422 PolarHBondContact O-N 2.9Å; S419-C422 VanDerWaalsContact O-N 3.08Å; L420-C422 PolarHBondContact O-N 3.14Å; C422-L425 PolarHBondContact O-N 2.9Å; C422-V426 PolarHBondContact O-N 2.9Å; C422-V426 VanDerWaalsContact O-N 3.11Å; C422-I649 HydrophobicContact CB-CD1 3.99Å
423V97.8Very high95.7Very high0 Ų044.9 Ų44.90%021%0.209CC..Hα-helixtrans-58.7-49.3171.8-166.20000110.5S419 L420 L425 V426 H427 T470 N471 V474 I649 L653S419-V423 PolarHBondContact O-N 3.46Å; L420-V423 WeakPolarHBondContact O-CA 3.37Å; L420-V423 VanDerWaalsContact O-CB 3.29Å; L420-V423 WeakPolarHBondContact O-CB 3.26Å; L420-V423 PolarHBondContact O-N 2.9Å; V423-L425 VanDerWaalsContact C-N 3.27Å; V423-L425 PolarHBondContact O-N 2.74Å; V423-V426 PolarHBondContact O-N 3.09Å; V423-H427 WeakPolarHBondContact O-CB 3.33Å; V423-H427 PolarHBondContact O-N 3.03Å; V423-T470 HydrophobicContact CG1-CG2 3.74Å; V423-T470 HydrophobicContact CG2-CG2 4.06Å; V423-N471 WeakPolarHBondContact CG2-OD1 3.46Å; V423-V474 HydrophobicContact CG2-CG2 4.05Å; V423-I649 HydrophobicContact CG2-CD1 3.93Å; V423-I649 HydrophobicContact CG2-CG1 3.99Å; V423-L653 HydrophobicContact CG1-CD2 4.38Å
424D97.3Very high95.4Very high64 Ų6441.3 Ų41.334%0.34219%0.187SC..Hα-helixtrans-57.3-38.7179.2-72.3-26.8000113.1L420 K428L420-D424 PolarHBondContact O-N 3.04Å; L420-D424 VanDerWaalsContact O-N 3.08Å; D424-K428 WeakPolarHBondContact O-CB 3.27Å; D424-K428 WeakPolarHBondContact O-CD 3.4Å; D424-K428 VanDerWaalsContact O-CG 3.25Å; D424-K428 WeakPolarHBondContact O-CG 3.39Å; D424-K428 PolarHBondContact O-N 3.27Å
425L97.4Very high94.9Very high58 Ų5843.3 Ų43.330%0.30420%0.197SC..Hα-helixtrans-71-41.4179.7-74170.6000111.7I360 T364 R421 C422 V423 E429I360-L425 HydrophobicContact CD1-CB 4.2Å; I360-L425 HydrophobicContact CG1-CB 4.43Å; I360-L425 HydrophobicContact CG2-CB 3.83Å; I360-L425 HydrophobicContact CG2-CD1 4.41Å; T364-L425 HydrophobicContact CG2-CD1 3.91Å; R421-L425 HydrophobicContact CG-CD1 4.49Å; R421-L425 VanDerWaalsContact O-CG 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.44Å; R421-L425 PolarHBondContact O-N 3.3Å; C422-L425 PolarHBondContact O-N 2.9Å; V423-L425 VanDerWaalsContact C-N 3.27Å; V423-L425 PolarHBondContact O-N 2.74Å; L425-E429 PolarHBondContact O-N 3.5Å
426V97.5Very high94.1Very high0 Ų046.3 Ų46.30%021%0.213CC..Hα-helixtrans-69.6-39.7175.7175.90000111.2I357 I360 F361 C422 V423 K428 E429 M430 I649 L653 V654I357-V426 HydrophobicContact CD1-CG1 4.26Å; I357-V426 HydrophobicContact CG1-CG1 4.2Å; I357-V426 HydrophobicContact CG2-CG1 4.18Å; I357-V426 HydrophobicContact CG2-CG2 4.27Å; I360-V426 HydrophobicContact CB-CG2 4.4Å; I360-V426 HydrophobicContact CD1-CG2 4.44Å; I360-V426 HydrophobicContact CG2-CG2 3.84Å; F361-V426 HydrophobicContact CD1-CG2 4.5Å; F361-V426 HydrophobicContact CE1-CG2 3.69Å; F361-V426 HydrophobicContact CZ-CG2 3.92Å; C422-V426 PolarHBondContact O-N 2.9Å; C422-V426 VanDerWaalsContact O-N 3.11Å; V423-V426 PolarHBondContact O-N 3.09Å; V426-K428 PolarHBondContact O-N 3.49Å; V426-E429 WeakPolarHBondContact O-CB 3.36Å; V426-E429 PolarHBondContact O-N 3.49Å; V426-M430 HydrophobicContact CG1-CG 4.4Å; V426-M430 HydrophobicContact CG1-SD 4.33Å; V426-M430 WeakPolarHBondContact O-CG 3.23Å; V426-M430 PolarHBondContact O-N 3.43Å; V426-I649 HydrophobicContact CB-CG2 3.94Å; V426-I649 HydrophobicContact CG1-CG2 3.81Å; V426-I649 HydrophobicContact CG2-CG2 4.06Å; V426-L653 HydrophobicContact CB-CD2 4.49Å; V426-L653 HydrophobicContact CG1-CD2 4.09Å; V426-V654 HydrophobicContact CG1-CG2 3.73Å
427H96.1Very high93.3Very high10 Ų1044.2 Ų44.25%0.04620%0.202CC..Hα-helixtrans-58.6-47.6173.7176.3-92.4000111.7V423 E429 M430 Q431 L653V423-H427 WeakPolarHBondContact O-CB 3.33Å; V423-H427 PolarHBondContact O-N 3.03Å; H427-E429 VanDerWaalsContact C-N 3.26Å; H427-E429 PolarHBondContact O-N 3.45Å; H427-M430 PolarHBondContact O-N 3.45Å; H427-Q431 PolarHBondContact CE1-OE1 3.5Å; H427-Q431 PolarHBondContact ND1-OE1 2.85Å; H427-Q431 WeakPolarHBondContact O-CG 3.12Å; H427-Q431 PolarHBondContact O-N 3.45Å; H427-L653 HydrophobicContact CB-CD2 4.28Å
428K95.6Very high91.9Very high121 Ų12140.4 Ų40.453%0.52619%0.185SC..Hα-helixtrans-63.8-30.6176.5-74.7168.4-175.8171.20112.9D424 V426 R432D424-K428 WeakPolarHBondContact O-CB 3.27Å; D424-K428 WeakPolarHBondContact O-CD 3.4Å; D424-K428 VanDerWaalsContact O-CG 3.25Å; D424-K428 WeakPolarHBondContact O-CG 3.39Å; D424-K428 PolarHBondContact O-N 3.27Å; V426-K428 PolarHBondContact O-N 3.49Å; K428-R432 WeakPolarHBondContact O-CG 3.23Å; K428-R432 PolarHBondContact O-N 2.84Å
429E94.7Very high90.5Very high5 Ų541.9 Ų41.92%0.02320%0.198CC..Hα-helixtrans-66.3-51171.4-167.257.8-155.500111.4G353 R356 I357 I360 L425 V426 H427 Q431 R432 M433G353-E429 PolarHBondContact N-OE1 3.19Å; R356-E429 HydrophobicContact CB-CG 3.97Å; R356-E429 VanDerWaalsContact CB-OE1 3.29Å; R356-E429 WeakPolarHBondContact CB-OE1 3.22Å; R356-E429 HydrophobicContact CG-CG 3.87Å; R356-E429 VanDerWaalsContact CG-OE1 3.22Å; R356-E429 WeakPolarHBondContact CG-OE1 3.45Å; R356-E429 WeakPolarHBondContact CG-OE2 3.35Å; I357-E429 HydrophobicContact CG1-CB 4.25Å; I357-E429 HydrophobicContact CG1-CG 3.89Å; I360-E429 HydrophobicContact CD1-CB 4.14Å; L425-E429 PolarHBondContact O-N 3.5Å; V426-E429 WeakPolarHBondContact O-CB 3.36Å; V426-E429 PolarHBondContact O-N 3.49Å; H427-E429 VanDerWaalsContact C-N 3.26Å; H427-E429 PolarHBondContact O-N 3.45Å; E429-Q431 PolarHBondContact O-N 3.03Å; E429-R432 PolarHBondContact O-N 2.94Å; E429-R432 IonicContact OE1-NH2 3.68Å; E429-R432 IonicContact OE2-CZ 2.69Å; E429-R432 IonicContact OE2-NE 2.67Å; E429-R432 IonicContact OE2-NH2 2.69Å; E429-R432 PolarHBondContact OE2-NH2 2.89Å; E429-M433 WeakPolarHBondContact O-CG 3.48Å; E429-M433 PolarHBondContact O-N 3.45Å
430M95.1Very high88.8Confident0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-62.2-26.9179.2-69.7-169.678.800113.6Y335 I357 V426 H427 M433 L463 L653 V654 V657Y335-M430 HydrophobicContact CE1-CE 4.21Å; Y335-M430 WeakPolarHBondContact OH-CB 3.14Å; Y335-M430 PolarHBondContact OH-O 3.23Å; I357-M430 HydrophobicContact CD1-CG 4.07Å; V426-M430 HydrophobicContact CG1-CG 4.4Å; V426-M430 HydrophobicContact CG1-SD 4.33Å; V426-M430 WeakPolarHBondContact O-CG 3.23Å; V426-M430 PolarHBondContact O-N 3.43Å; H427-M430 PolarHBondContact O-N 3.45Å; M430-M433 HydrophobicContact CG-SD 4.36Å; M430-L463 HydrophobicContact CB-CD1 4.27Å; M430-L463 HydrophobicContact CB-CD2 3.63Å; M430-L463 HydrophobicContact CE-CD2 4.05Å; M430-L463 HydrophobicContact CG-CD2 4.5Å; M430-L463 HydrophobicContact SD-CD2 4.15Å; M430-L653 HydrophobicContact SD-CD2 4.32Å; M430-L653 HydrophobicContact SD-CG 3.93Å; M430-V654 HydrophobicContact CE-CG1 4.25Å; M430-V654 HydrophobicContact SD-CB 4.22Å; M430-V654 HydrophobicContact SD-CG1 4.29Å; M430-V654 HydrophobicContact SD-CG2 3.87Å; M430-V657 HydrophobicContact CE-CB 3.95Å; M430-V657 HydrophobicContact CE-CG1 4Å
431Q93.3Very high87.4Confident61 Ų6142.5 Ų42.529%0.28520%0.202SC..Hα-helixtrans-70.8-45.3168.9-72.2-174.1-65.900112.4H427 E429 M433 V434 L463H427-Q431 PolarHBondContact CE1-OE1 3.5Å; H427-Q431 PolarHBondContact ND1-OE1 2.85Å; H427-Q431 WeakPolarHBondContact O-CG 3.12Å; H427-Q431 PolarHBondContact O-N 3.45Å; E429-Q431 PolarHBondContact O-N 3.03Å; Q431-M433 VanDerWaalsContact C-N 3.3Å; Q431-M433 PolarHBondContact O-N 3.26Å; Q431-V434 WeakPolarHBondContact O-CB 3.47Å; Q431-V434 WeakPolarHBondContact O-CG2 3.48Å; Q431-V434 PolarHBondContact O-N 3.1Å; Q431-V434 VanDerWaalsContact O-N 3.13Å; Q431-L463 HydrophobicContact CG-CD1 3.82Å
432R90.6Very high86.1Confident101 Ų10142.8 Ų42.838%0.38120%0.203SC..Hα-helixtrans-61.6-38.8179.3-70.8-166.8-60150.25.5112.3K428 E429 V434 H435 D436K428-R432 WeakPolarHBondContact O-CG 3.23Å; K428-R432 PolarHBondContact O-N 2.84Å; E429-R432 PolarHBondContact O-N 2.94Å; E429-R432 IonicContact OE1-NH2 3.68Å; E429-R432 IonicContact OE2-CZ 2.69Å; E429-R432 IonicContact OE2-NE 2.67Å; E429-R432 IonicContact OE2-NH2 2.69Å; E429-R432 PolarHBondContact OE2-NH2 2.89Å; R432-V434 PolarHBondContact O-N 3.04Å; R432-H435 WeakPolarHBondContact O-CB 3.47Å; R432-H435 PolarHBondContact O-N 3.39Å; R432-D436 PolarHBondContact O-N 2.88Å
433M90.1Very high84.8Confident0 Ų051.5 Ų51.50%024%0.235CC..Hα-helixtrans-53.5-24174.5-68.7171.958.700115Y335 T338 V339 G353 I357 E429 M430 Q431 D436 C437Y335-M433 HydrophobicContact CD2-CB 4.34Å; Y335-M433 HydrophobicContact CE1-CE 4.28Å; Y335-M433 HydrophobicContact CE2-CB 3.73Å; Y335-M433 HydrophobicContact CE2-CE 4.29Å; T338-M433 HydrophobicContact CG2-CE 3.89Å; T338-M433 HydrophobicContact CG2-CG 4.21Å; V339-M433 HydrophobicContact CB-CE 4.17Å; V339-M433 HydrophobicContact CG2-CE 3.39Å; G353-M433 VanDerWaalsContact CA-SD 3.6Å; I357-M433 HydrophobicContact CD1-SD 4.48Å; E429-M433 WeakPolarHBondContact O-CG 3.48Å; E429-M433 PolarHBondContact O-N 3.45Å; M430-M433 HydrophobicContact CG-SD 4.36Å; Q431-M433 VanDerWaalsContact C-N 3.3Å; Q431-M433 PolarHBondContact O-N 3.26Å; M433-D436 WeakPolarHBondContact CA-OD2 3.5Å; M433-C437 PolarHBondContact O-N 2.92Å; M433-C437 PolarHBondContact O-SG 3.33Å
434V88.3Confident83.6Confident2 Ų254.3 Ų54.31%0.01225%0.249CC..Hα-helixtrans-64.4-44.5175.2-177.90000110.1F331 Y335 Q431 R432 C437 I456 V459F331-V434 HydrophobicContact CZ-CG1 4.22Å; Y335-V434 HydrophobicContact CE2-CG2 3.87Å; Q431-V434 WeakPolarHBondContact O-CB 3.47Å; Q431-V434 WeakPolarHBondContact O-CG2 3.48Å; Q431-V434 PolarHBondContact O-N 3.1Å; Q431-V434 VanDerWaalsContact O-N 3.13Å; R432-V434 PolarHBondContact O-N 3.04Å; V434-C437 WeakPolarHBondContact O-CB 3.13Å; V434-C437 PolarHBondContact O-N 2.86Å; V434-I456 HydrophobicContact CG1-CB 4.39Å; V434-I456 HydrophobicContact CG1-CG1 3.9Å; V434-I456 HydrophobicContact CG1-CG2 4.39Å; V434-V459 HydrophobicContact CG2-CB 4.18Å; V434-V459 HydrophobicContact CG2-CG1 3.66Å
435H83.5Confident82.5Confident104 Ų10452 Ų5248%0.48124%0.236SC..Hα-helixtrans-71-36.1178.8-58-53000112.2R432 C437 E438R432-H435 WeakPolarHBondContact O-CB 3.47Å; R432-H435 PolarHBondContact O-N 3.39Å; H435-C437 PolarHBondContact O-N 3.09Å; H435-E438 IonicContact CE1-OE1 2.66Å; H435-E438 IonicContact CG-OE1 3.91Å; H435-E438 IonicContact ND1-OE1 2.67Å; H435-E438 PolarHBondContact ND1-OE1 3.38Å; H435-E438 VanDerWaalsContact O-CB 3.23Å; H435-E438 WeakPolarHBondContact O-CB 3.44Å; H435-E438 PolarHBondContact O-N 2.64Å
436D79.6Confident81.5Confident64 Ų6451.6 Ų51.634%0.34225%0.245SC..Hα-helixtrans-58.8-38.4173.9-53.4-16.1000110.7R432 M433 E438 A439R432-D436 PolarHBondContact O-N 2.88Å; M433-D436 WeakPolarHBondContact CA-OD2 3.5Å; D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 PolarHBondContact O-N 3.49Å; D436-A439 WeakPolarHBondContact O-CB 3.33Å; D436-A439 PolarHBondContact O-N 3.43Å; D436-A439 VanDerWaalsContact O-N 3.12Å
437C79.3Confident80.7Confident1 Ų152.9 Ų52.91%0.00725%0.25CS..Hα-helixtrans-67.8-20.9176.1-65.20000113.6F331 M433 V434 H435 A439 D440 T441F331-C437 HydrophobicContact CD2-CB 4.21Å; F331-C437 HydrophobicContact CE2-CB 3.82Å; M433-C437 PolarHBondContact O-N 2.92Å; M433-C437 PolarHBondContact O-SG 3.33Å; V434-C437 WeakPolarHBondContact O-CB 3.13Å; V434-C437 PolarHBondContact O-N 2.86Å; H435-C437 PolarHBondContact O-N 3.09Å; C437-A439 PolarHBondContact O-N 2.82Å; C437-D440 PolarHBondContact O-N 3.48Å; C437-T441 PolarHBondContact O-N 3.21Å; C437-T441 PolarHBondContact O-OG1 3.16Å
438E67.5Low80.3Confident50 Ų5052.6 Ų52.623%0.23425%0.249CC..Hα-helixtrans-69.4-14.4172.3-55173.4-153.600112.8H435 D436 R442 M445 I456H435-E438 IonicContact CE1-OE1 2.66Å; H435-E438 IonicContact CG-OE1 3.91Å; H435-E438 IonicContact ND1-OE1 2.67Å; H435-E438 PolarHBondContact ND1-OE1 3.38Å; H435-E438 VanDerWaalsContact O-CB 3.23Å; H435-E438 WeakPolarHBondContact O-CB 3.44Å; H435-E438 PolarHBondContact O-N 2.64Å; D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 PolarHBondContact O-N 3.49Å; E438-R442 VanDerWaalsContact O-CA 3.29Å; E438-R442 WeakPolarHBondContact O-CA 3.32Å; E438-R442 WeakPolarHBondContact O-CB 3.48Å; E438-R442 PolarHBondContact O-N 2.86Å; E438-R442 PolarHBondContact O-NE 2.83Å; E438-M445 HydrophobicContact CB-SD 3.9Å; E438-M445 HydrophobicContact CG-CE 4.44Å; E438-M445 HydrophobicContact CG-SD 3.69Å; E438-I456 WeakPolarHBondContact OE1-CD1 3.49Å
439A66.5Low79.9Confident50 Ų5049.5 Ų49.541%0.41324%0.241SC..Hα-helixtrans-75.8-51.6169.900000110.9D436 C437 R442D436-A439 WeakPolarHBondContact O-CB 3.33Å; D436-A439 PolarHBondContact O-N 3.43Å; D436-A439 VanDerWaalsContact O-N 3.12Å; C437-A439 PolarHBondContact O-N 2.82Å; A439-R442 WeakPolarHBondContact O-CB 3.38Å; A439-R442 PolarHBondContact O-N 3.5Å
440D62.8Low79.7Confident43 Ų4352.7 Ų52.723%0.2326%0.255CS..Hα-helixtrans-70.8-30.4-178.4-97.131.4000113.5N345 C437N345-D440 PolarHBondContact ND2-OD1 3.46Å; C437-D440 PolarHBondContact O-N 3.48Å
441T68.6Low79.4Confident3 Ų352.8 Ų52.82%0.01826%0.256CS..THydrogen-bonded Turntrans-103.49.9178.960.60000113.9R330 C437 R443 E444 M445R330-T441 HydrophobicContact CG-CG2 4.31Å; C437-T441 PolarHBondContact O-N 3.21Å; C437-T441 PolarHBondContact O-OG1 3.16Å; T441-R443 PolarHBondContact O-N 2.96Å; T441-E444 PolarHBondContact O-N 3.34Å; T441-M445 PolarHBondContact O-N 2.88Å; T441-M445 VanDerWaalsContact O-N 3.09Å; T441-M445 WeakPolarHBondContact OG1-CE 3.48Å; T441-M445 PolarHBondContact OG1-SD 2.89Å
442R69.6Low79.2Confident160 Ų16050.6 Ų50.660%0.60425%0.247SC*.Hα-helixtrans-49.5-32.9-174.9-164.6159.4-70.6-162-2115.5E438 A439 G446E438-R442 VanDerWaalsContact O-CA 3.29Å; E438-R442 WeakPolarHBondContact O-CA 3.32Å; E438-R442 WeakPolarHBondContact O-CB 3.48Å; E438-R442 PolarHBondContact O-N 2.86Å; E438-R442 PolarHBondContact O-NE 2.83Å; A439-R442 WeakPolarHBondContact O-CB 3.38Å; A439-R442 PolarHBondContact O-N 3.5Å; R442-G446 PolarHBondContact O-N 2.82Å
443R69.4Low79.1Confident184 Ų18451.6 Ų51.669%0.69426%0.256SS*.Hα-helixtrans-66.3-37.7178.8-59.9-173.5-173.7-164.41.8112.7T441 R447T441-R443 PolarHBondContact O-N 2.96Å; R443-R447 WeakPolarHBondContact O-CB 3.35Å
444E72.4Confident79.1Confident60 Ų6056.6 Ų56.628%0.2828%0.275SS..Hα-helixtrans-82.8-43.7180-69.1161-148.900109.8V327 T441 R447 F448V327-E444 HydrophobicContact CG2-CB 4.3Å; V327-E444 HydrophobicContact CG2-CG 4.39Å; T441-E444 PolarHBondContact O-N 3.34Å; E444-R447 WeakPolarHBondContact O-CB 3.33Å; E444-R447 PolarHBondContact O-N 2.95Å; E444-F448 WeakPolarHBondContact O-CD2 3.44Å; E444-F448 PolarHBondContact O-N 3.16Å
445M75.1Confident79.3Confident16 Ų1656.6 Ų56.68%0.07927%0.274CS..Hα-helixtrans-69.1-42179.9-71.5179.9162.200113.9F331 E438 T441 R447 F448 C452F331-M445 HydrophobicContact CD2-CE 3.48Å; F331-M445 VanDerWaalsContact CD2-CE 3.48Å; F331-M445 HydrophobicContact CE2-CE 3.8Å; F331-M445 HydrophobicContact CG-CE 4.46Å; E438-M445 HydrophobicContact CB-SD 3.9Å; E438-M445 HydrophobicContact CG-CE 4.44Å; E438-M445 HydrophobicContact CG-SD 3.69Å; T441-M445 PolarHBondContact O-N 2.88Å; T441-M445 VanDerWaalsContact O-N 3.09Å; T441-M445 WeakPolarHBondContact OG1-CE 3.48Å; T441-M445 PolarHBondContact OG1-SD 2.89Å; M445-R447 PolarHBondContact O-N 3.25Å; M445-F448 CarbonylContact O-C 3.6Å; M445-F448 VanDerWaalsContact O-C 3.29Å; M445-F448 PolarHBondContact O-N 3.37Å; M445-C452 HydrophobicContact CB-CB 4.03Å; M445-C452 HydrophobicContact CG-CB 4.07Å
446G75.3Confident79.6Confident48 Ų4853.4 Ų53.450%0.49526%0.261SS..THydrogen-bonded Turntrans-70.2-15.6175.100000113.9R442 S682R442-G446 PolarHBondContact O-N 2.82Å; G446-S682 PolarHBondContact O-OG 3.37Å
447R80.9Confident80.2Confident28 Ų2856 Ų5611%0.10627%0.271CS..THydrogen-bonded Turntrans-83.1-43.4171179.3176.4175.7-170.6-0.4111.5K315 R443 E444 M445 P449 E681 S682 V685K315-R447 PolarHBondContact O-NH1 2.76Å; K315-R447 VanDerWaalsContact O-NH1 3.1Å; K315-R447 PolarHBondContact O-NH2 2.72Å; R443-R447 WeakPolarHBondContact O-CB 3.35Å; E444-R447 WeakPolarHBondContact O-CB 3.33Å; E444-R447 PolarHBondContact O-N 2.95Å; M445-R447 PolarHBondContact O-N 3.25Å; R447-P449 VanDerWaalsContact O-CD 3.3Å; R447-P449 WeakPolarHBondContact O-CD 3.44Å; R447-E681 HydrophobicContact CG-CG 4.2Å; R447-E681 IonicContact CZ-OE1 2.68Å; R447-E681 IonicContact NE-OE1 2.63Å; R447-E681 PolarHBondContact NE-OE1 2.95Å; R447-E681 IonicContact NH2-OE1 2.65Å; R447-E681 PolarHBondContact NH2-OE1 3.21Å; R447-E681 WeakPolarHBondContact O-CA 3.3Å; R447-S682 PolarHBondContact O-N 3.4Å; R447-V685 HydrophobicContact CG-CG1 4.26Å
448F88Confident80.9Confident4 Ų456.2 Ų56.22%0.01827%0.272CS..  trans-117.375.4-176.6-53.5-63000111.8V317 T323 E444 M445 K450 L451 C452 L679 E681V317-F448 HydrophobicContact CG2-CE1 3.95Å; V317-F448 HydrophobicContact CG2-CZ 3.66Å; T323-F448 HydrophobicContact CG2-CE2 4.26Å; T323-F448 HydrophobicContact CG2-CZ 4.28Å; E444-F448 WeakPolarHBondContact O-CD2 3.44Å; E444-F448 PolarHBondContact O-N 3.16Å; M445-F448 CarbonylContact O-C 3.6Å; M445-F448 VanDerWaalsContact O-C 3.29Å; M445-F448 PolarHBondContact O-N 3.37Å; F448-K450 PolarHBondContact O-N 3.49Å; F448-L451 HydrophobicContact CB-CB 3.94Å; F448-L451 HydrophobicContact CB-CD2 4.44Å; F448-L451 PolarHBondContact O-N 3.07Å; F448-C452 PolarHBondContact O-N 3.44Å; F448-C452 VanDerWaalsContact O-N 3.08Å; F448-L679 HydrophobicContact CD1-CB 4.27Å; F448-L679 HydrophobicContact CD1-CD2 4.15Å; F448-L679 HydrophobicContact CD2-CD2 4.22Å; F448-L679 HydrophobicContact CE1-CB 4.18Å; F448-L679 HydrophobicContact CE1-CD2 4.17Å; F448-L679 WeakPolarHBondContact CE1-O 3.4Å; F448-L679 HydrophobicContact CE2-CD2 4.23Å; F448-L679 HydrophobicContact CG-CD2 4.17Å; F448-L679 HydrophobicContact CZ-CD2 4.2Å; F448-E681 HydrophobicContact CD1-CG 4.39Å; F448-E681 HydrophobicContact CE1-CG 3.79Å
449P87.2Confident82.1Confident56 Ų5653.8 Ų53.836%0.36426%0.261SS..Hα-helixtrans-62.6-42.1-173.323.9-33.5000113R447 L451 C452 E453R447-P449 VanDerWaalsContact O-CD 3.3Å; R447-P449 WeakPolarHBondContact O-CD 3.44Å; P449-L451 VanDerWaalsContact C-N 3.32Å; P449-L451 PolarHBondContact O-N 3.48Å; P449-C452 VanDerWaalsContact O-CB 3.3Å; P449-C452 WeakPolarHBondContact O-CB 3.45Å; P449-C452 PolarHBondContact O-N 3.49Å; P449-E453 PolarHBondContact O-N 3.12Å
450K89.7Confident83.4Confident72 Ų7253.1 Ų53.131%0.31325%0.253SS..Hα-helixtrans-58.7-40.4176.3-75.8177169.3175.90112.3F448 R454 D677 E680F448-K450 PolarHBondContact O-N 3.49Å; K450-R454 WeakPolarHBondContact O-CG 3.35Å; K450-R454 PolarHBondContact O-N 3.29Å; K450-D677 WeakPolarHBondContact CD-O 3.48Å; K450-D677 IonicContact NZ-OD1 3.12Å; K450-D677 PolarHBondContact NZ-OD1 3.27Å; K450-E680 HydrophobicContact CD-CB 4.42Å; K450-E680 VanDerWaalsContact CE-OE2 3.29Å; K450-E680 WeakPolarHBondContact CE-OE2 3.41Å; K450-E680 IonicContact NZ-OE2 3.72Å; K450-E680 PolarHBondContact NZ-OE2 2.95Å
451L90.2Very high84.8Confident2 Ų254.2 Ų54.21%0.0126%0.264CS..Hα-helixtrans-67.3-38.3174.417758.6000111.9L324 V327 F448 P449 R454 I455 L669 L678 L679L324-L451 HydrophobicContact CD1-CD1 3.44Å; L324-L451 VanDerWaalsContact CD1-CD1 3.44Å; L324-L451 HydrophobicContact CD1-CD2 3.74Å; L324-L451 HydrophobicContact CD1-CG 4.27Å; V327-L451 HydrophobicContact CB-CD2 4.2Å; V327-L451 HydrophobicContact CG1-CD2 3.85Å; F448-L451 HydrophobicContact CB-CB 3.94Å; F448-L451 HydrophobicContact CB-CD2 4.44Å; F448-L451 PolarHBondContact O-N 3.07Å; P449-L451 VanDerWaalsContact C-N 3.32Å; P449-L451 PolarHBondContact O-N 3.48Å; L451-R454 PolarHBondContact O-N 2.82Å; L451-I455 HydrophobicContact CD1-CD1 3.93Å; L451-I455 HydrophobicContact CD1-CG1 4.05Å; L451-I455 HydrophobicContact CG-CD1 3.86Å; L451-I455 HydrophobicContact CG-CG1 4.42Å; L451-I455 WeakPolarHBondContact O-CB 3.2Å; L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.31Å; L451-I455 PolarHBondContact O-N 3.15Å; L451-L669 HydrophobicContact CD1-CD1 4.16Å; L451-L678 HydrophobicContact CB-CB 4.4Å; L451-L678 WeakPolarHBondContact CB-O 3.44Å; L451-L678 HydrophobicContact CD1-CB 4.47Å; L451-L678 HydrophobicContact CD1-CD2 4.37Å; L451-L678 PolarHBondContact N-O 2.9Å; L451-L679 HydrophobicContact CD2-CD2 3.89Å
452C87.7Confident86.1Confident15 Ų1554.7 Ų54.710%0.10127%0.267CS..Hα-helixtrans-59.4-52.3175.7-170.30000111.4M445 F448 P449 R454 I455 I456M445-C452 HydrophobicContact CB-CB 4.03Å; M445-C452 HydrophobicContact CG-CB 4.07Å; F448-C452 PolarHBondContact O-N 3.44Å; F448-C452 VanDerWaalsContact O-N 3.08Å; P449-C452 VanDerWaalsContact O-CB 3.3Å; P449-C452 WeakPolarHBondContact O-CB 3.45Å; P449-C452 PolarHBondContact O-N 3.49Å; C452-R454 VanDerWaalsContact C-N 3.33Å; C452-R454 PolarHBondContact O-N 3.15Å; C452-I455 PolarHBondContact O-N 3.42Å; C452-I455 VanDerWaalsContact O-N 3.14Å; C452-I456 WeakPolarHBondContact O-CG1 3.43Å; C452-I456 PolarHBondContact O-N 2.87Å
453E89.6Confident87.3Confident121 Ų12147 Ų4757%0.56524%0.238SC*.Hα-helixtrans-54.1-48.9177.4-69.1172.4166.500111.4P449 I455 I456 E457P449-E453 PolarHBondContact O-N 3.12Å; E453-I455 PolarHBondContact O-N 2.86Å; E453-I456 PolarHBondContact O-N 2.9Å; E453-E457 WeakPolarHBondContact O-CG 3.32Å; E453-E457 PolarHBondContact O-N 3.06Å
454R90.4Very high88.5Confident106 Ų10641.1 Ų41.140%0.422%0.224SC..Hα-helixtrans-68.8-29.2179.5-65.8-56.2-161.983.94.2114.1K450 L451 C452 E457 A458 L669 L678K450-R454 WeakPolarHBondContact O-CG 3.35Å; K450-R454 PolarHBondContact O-N 3.29Å; L451-R454 PolarHBondContact O-N 2.82Å; C452-R454 VanDerWaalsContact C-N 3.33Å; C452-R454 PolarHBondContact O-N 3.15Å; R454-E457 WeakPolarHBondContact CD-OE2 3.42Å; R454-E457 IonicContact NE-OE2 2.72Å; R454-A458 VanDerWaalsContact O-CB 3.23Å; R454-A458 WeakPolarHBondContact O-CB 3.29Å; R454-A458 PolarHBondContact O-N 3.49Å; R454-L669 HydrophobicContact CB-CD2 3.64Å; R454-L678 HydrophobicContact CB-CD2 3.92Å; R454-L678 HydrophobicContact CG-CD2 3.73Å
455I91.5Very high89.6Confident1 Ų141.5 Ų41.51%0.00523%0.233CC..Hα-helixtrans-65.4-49.1169.3-73167.4000109.6V327 F331 L451 C452 E453 E457 A458 V459 L665 L669V327-I455 HydrophobicContact CG1-CD1 4.29Å; F331-I455 HydrophobicContact CD1-CG2 3.82Å; F331-I455 HydrophobicContact CD2-CG2 4.17Å; F331-I455 HydrophobicContact CE1-CG2 3.67Å; F331-I455 HydrophobicContact CE2-CG2 4.01Å; F331-I455 HydrophobicContact CG-CG2 4.08Å; F331-I455 HydrophobicContact CZ-CG2 3.77Å; L451-I455 HydrophobicContact CD1-CD1 3.93Å; L451-I455 HydrophobicContact CD1-CG1 4.05Å; L451-I455 HydrophobicContact CG-CD1 3.86Å; L451-I455 HydrophobicContact CG-CG1 4.42Å; L451-I455 WeakPolarHBondContact O-CB 3.2Å; L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.31Å; L451-I455 PolarHBondContact O-N 3.15Å; C452-I455 PolarHBondContact O-N 3.42Å; C452-I455 VanDerWaalsContact O-N 3.14Å; E453-I455 PolarHBondContact O-N 2.86Å; I455-E457 VanDerWaalsContact C-N 3.34Å; I455-E457 PolarHBondContact O-N 3.3Å; I455-A458 PolarHBondContact O-N 3.5Å; I455-A458 VanDerWaalsContact O-N 3.17Å; I455-V459 HydrophobicContact CG2-CG2 4.27Å; I455-V459 WeakPolarHBondContact O-CG2 3.34Å; I455-V459 PolarHBondContact O-N 3.43Å; I455-L665 HydrophobicContact CG1-CD2 4.48Å; I455-L665 HydrophobicContact CG2-CD2 4.28Å; I455-L669 HydrophobicContact CG1-CD1 3.62Å
456I90.5Very high90.5Very high38 Ų3842.6 Ų42.620%0.19524%0.237CC..Hα-helixtrans-60.1-43.4-179.2-63.6161.9000111.1V434 E438 C452 E453 S460V434-I456 HydrophobicContact CG1-CB 4.39Å; V434-I456 HydrophobicContact CG1-CG1 3.9Å; V434-I456 HydrophobicContact CG1-CG2 4.39Å; E438-I456 WeakPolarHBondContact OE1-CD1 3.49Å; C452-I456 WeakPolarHBondContact O-CG1 3.43Å; C452-I456 PolarHBondContact O-N 2.87Å; E453-I456 PolarHBondContact O-N 2.9Å; I456-S460 VanDerWaalsContact O-CB 3.25Å; I456-S460 WeakPolarHBondContact O-CB 3.48Å; I456-S460 PolarHBondContact O-N 3.22Å; I456-S460 PolarHBondContact O-OG 3.39Å
457E92.3Very high91.5Very high119 Ų11942 Ų4256%0.55622%0.222SC*.Hα-helixtrans-59.7-49173-73.6-178.1164.400112.1E453 R454 I455 S460 S461E453-E457 WeakPolarHBondContact O-CG 3.32Å; E453-E457 PolarHBondContact O-N 3.06Å; R454-E457 WeakPolarHBondContact CD-OE2 3.42Å; R454-E457 IonicContact NE-OE2 2.72Å; I455-E457 VanDerWaalsContact C-N 3.34Å; I455-E457 PolarHBondContact O-N 3.3Å; E457-S460 PolarHBondContact O-N 3Å; E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.09Å
458A92.6Very high92.3Very high4 Ų444.4 Ų44.43%0.03324%0.241CC..Hα-helixtrans-64.9-42.4-177.900000112.6R454 I455 S461 V462 L665 Q668R454-A458 VanDerWaalsContact O-CB 3.23Å; R454-A458 WeakPolarHBondContact O-CB 3.29Å; R454-A458 PolarHBondContact O-N 3.49Å; I455-A458 PolarHBondContact O-N 3.5Å; I455-A458 VanDerWaalsContact O-N 3.17Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 2.87Å; A458-V462 WeakPolarHBondContact O-CG2 2.98Å; A458-V462 PolarHBondContact O-N 3.39Å; A458-L665 HydrophobicContact CB-CD2 3.71Å; A458-Q668 HydrophobicContact CB-CB 4.38Å
459V93.2Very high92.7Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-66-41174.8-175.50000111F331 V434 I455 S461 V462 L463 L661 L665F331-V459 HydrophobicContact CE1-CG2 3.71Å; F331-V459 HydrophobicContact CZ-CG2 4Å; V434-V459 HydrophobicContact CG2-CB 4.18Å; V434-V459 HydrophobicContact CG2-CG1 3.66Å; I455-V459 HydrophobicContact CG2-CG2 4.27Å; I455-V459 WeakPolarHBondContact O-CG2 3.34Å; I455-V459 PolarHBondContact O-N 3.43Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 2.93Å; V459-V462 PolarHBondContact O-N 3.39Å; V459-L463 HydrophobicContact CG1-CD1 3.9Å; V459-L463 HydrophobicContact CG1-CG 4.28Å; V459-L463 WeakPolarHBondContact O-CB 3.02Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 2.67Å; V459-L661 HydrophobicContact CB-CD1 4.43Å; V459-L661 HydrophobicContact CG1-CD1 4.01Å; V459-L661 HydrophobicContact CG2-CD1 3.82Å; V459-L665 HydrophobicContact CG2-CD1 4.45Å; V459-L665 HydrophobicContact CG2-CD2 4.02Å
460S93.3Very high93.2Very high36 Ų3644.1 Ų44.125%0.25224%0.238SC..Hα-helixtrans-62.2-41.5176.3-62.10000111.9I456 E457 L463 C464I456-S460 VanDerWaalsContact O-CB 3.25Å; I456-S460 WeakPolarHBondContact O-CB 3.48Å; I456-S460 PolarHBondContact O-N 3.22Å; I456-S460 PolarHBondContact O-OG 3.39Å; E457-S460 PolarHBondContact O-N 3Å; S460-L463 PolarHBondContact O-N 2.72Å; S460-C464 WeakPolarHBondContact O-CB 3.32Å; S460-C464 PolarHBondContact O-N 2.83Å; S460-C464 PolarHBondContact O-SG 3.42Å; S460-C464 VanDerWaalsContact O-SG 3.35Å
461S94.2Very high93.6Very high65 Ų6542.1 Ų42.146%0.45523%0.231SC..Hα-helixtrans-60-49.1174-179.20000111.7E457 A458 V459 L463 C464 S465E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.09Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 2.87Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 2.93Å; S461-L463 PolarHBondContact O-N 2.79Å; S461-C464 PolarHBondContact O-N 3.02Å; S461-S465 WeakPolarHBondContact O-CB 3.3Å; S461-S465 PolarHBondContact O-N 3.28Å
462V94.1Very high94Very high13 Ų1348.2 Ų48.28%0.07926%0.259CS..Hα-helixtrans-59.6-48.5176.7169.90000111A458 V459 S465 R466 V657 E664A458-V462 WeakPolarHBondContact O-CG2 2.98Å; A458-V462 PolarHBondContact O-N 3.39Å; V459-V462 PolarHBondContact O-N 3.39Å; V462-S465 PolarHBondContact O-N 3.03Å; V462-S465 PolarHBondContact O-OG 3.41Å; V462-R466 WeakPolarHBondContact O-CG 3.33Å; V462-R466 PolarHBondContact O-N 2.89Å; V462-V657 HydrophobicContact CG1-CG1 4.42Å; V462-V657 HydrophobicContact CG1-CG2 4.15Å; V462-E664 HydrophobicContact CG2-CB 3.69Å; V462-E664 HydrophobicContact CG2-CG 4.1Å
463L94.8Very high94.5Very high0 Ų050.4 Ų50.40%027%0.269CS..Hα-helixtrans-59.3-49.6178.2-75.6169.1000112.1M430 Q431 V459 S460 S461 S465 R466 L653 V657M430-L463 HydrophobicContact CB-CD1 4.27Å; M430-L463 HydrophobicContact CB-CD2 3.63Å; M430-L463 HydrophobicContact CE-CD2 4.05Å; M430-L463 HydrophobicContact CG-CD2 4.5Å; M430-L463 HydrophobicContact SD-CD2 4.15Å; Q431-L463 HydrophobicContact CG-CD1 3.82Å; V459-L463 HydrophobicContact CG1-CD1 3.9Å; V459-L463 HydrophobicContact CG1-CG 4.28Å; V459-L463 WeakPolarHBondContact O-CB 3.02Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 2.67Å; S460-L463 PolarHBondContact O-N 2.72Å; S461-L463 PolarHBondContact O-N 2.79Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 3.26Å; L463-R466 PolarHBondContact O-N 2.91Å; L463-R466 VanDerWaalsContact O-N 3.13Å; L463-L653 HydrophobicContact CD2-CD1 4.38Å; L463-V657 HydrophobicContact CD2-CG1 4.19Å; L463-V657 HydrophobicContact CD2-CG2 4.1Å
464C95.3Very high94.9Very high60 Ų6044.6 Ų44.641%0.40524%0.242SC..Hα-helixtrans-60.7-36.7177.9-73.60000112.6S460 S461 R466 I467 P468S460-C464 WeakPolarHBondContact O-CB 3.32Å; S460-C464 PolarHBondContact O-N 2.83Å; S460-C464 PolarHBondContact O-SG 3.42Å; S460-C464 VanDerWaalsContact O-SG 3.35Å; S461-C464 PolarHBondContact O-N 3.02Å; C464-R466 PolarHBondContact O-N 2.95Å; C464-I467 PolarHBondContact O-N 3.43Å; C464-P468 WeakPolarHBondContact O-CD 3.5Å
465S95.3Very high95.2Very high67 Ų6743.9 Ų43.947%0.46924%0.243SC..Hα-helixtrans-62.1-25.2177.781.40000113.7S461 V462 L463S461-S465 WeakPolarHBondContact O-CB 3.3Å; S461-S465 PolarHBondContact O-N 3.28Å; V462-S465 PolarHBondContact O-N 3.03Å; V462-S465 PolarHBondContact O-OG 3.41Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 3.26Å
466R95.2Very high95.5Very high40 Ų4046.2 Ų46.215%0.15126%0.259CS..Hα-helixtrans-90.9-16.1-177-62.1-53.3-60.7-170.5-1.6114.3V462 L463 C464 T470 F652 L653 H656 V657V462-R466 WeakPolarHBondContact O-CG 3.33Å; V462-R466 PolarHBondContact O-N 2.89Å; L463-R466 PolarHBondContact O-N 2.91Å; L463-R466 VanDerWaalsContact O-N 3.13Å; C464-R466 PolarHBondContact O-N 2.95Å; R466-T470 WeakPolarHBondContact O-CB 3.39Å; R466-T470 PolarHBondContact O-N 3.24Å; R466-T470 VanDerWaalsContact O-N 3.07Å; R466-T470 PolarHBondContact O-OG1 3.45Å; R466-F652 VanDerWaalsContact CZ-O 3.32Å; R466-F652 PolarHBondContact NE-O 2.93Å; R466-F652 PolarHBondContact NH2-O 2.72Å; R466-L653 HydrophobicContact CB-CD1 3.62Å; R466-H656 WeakPolarHBondContact CD-CD2 3.46Å; R466-H656 VanDerWaalsContact CZ-CG 3.49Å; R466-H656 PolarHBondContact NE-CD2 3.5Å; R466-H656 PolarHBondContact NH1-CD2 3.28Å; R466-H656 PolarHBondContact NH1-CE1 3.44Å; R466-H656 PolarHBondContact NH1-NE2 3.03Å; R466-H656 VanDerWaalsContact NH1-NE2 3.17Å; R466-V657 HydrophobicContact CG-CG2 4.11Å
467I96.1Very high95.8Very high35 Ų3545.8 Ų45.818%0.17926%0.258CS..Hα-helixtrans-55.8-57.6174-53.9174.1000111.9C464 V469 T470 N471C464-I467 PolarHBondContact O-N 3.43Å; I467-V469 VanDerWaalsContact C-N 3.32Å; I467-V469 PolarHBondContact O-N 3.31Å; I467-T470 PolarHBondContact O-N 3.3Å; I467-T470 VanDerWaalsContact O-N 3.13Å; I467-N471 WeakPolarHBondContact O-CB 3.44Å; I467-N471 PolarHBondContact O-N 2.68Å
468P97Very high96Very high78 Ų7840.3 Ų40.351%0.50623%0.232SC..Hα-helixtrans-62.9-37.7-173.924.2-34.7000112.6C464 N471 Q472C464-P468 WeakPolarHBondContact O-CD 3.5Å; P468-N471 PolarHBondContact O-N 3.24Å; P468-Q472 VanDerWaalsContact O-CB 3.31Å; P468-Q472 WeakPolarHBondContact O-CB 3.43Å; P468-Q472 PolarHBondContact O-N 3.27Å
469V97.6Very high96.2Very high54 Ų5443.4 Ų43.433%0.32725%0.253SS..Hα-helixtrans-63.4-42.2176.5-174.60000111.1I467 M473 F652I467-V469 VanDerWaalsContact C-N 3.32Å; I467-V469 PolarHBondContact O-N 3.31Å; V469-M473 PolarHBondContact O-N 2.99Å; V469-F652 HydrophobicContact CG1-CD1 3.98Å
470T97.5Very high96.3Very high0 Ų048.6 Ų48.60%028%0.28CS..Hα-helixtrans-69.6-43.5178.7-52.20000111V423 R466 I467 M473 V474 I649 F652V423-T470 HydrophobicContact CG1-CG2 3.74Å; V423-T470 HydrophobicContact CG2-CG2 4.06Å; R466-T470 WeakPolarHBondContact O-CB 3.39Å; R466-T470 PolarHBondContact O-N 3.24Å; R466-T470 VanDerWaalsContact O-N 3.07Å; R466-T470 PolarHBondContact O-OG1 3.45Å; I467-T470 PolarHBondContact O-N 3.3Å; I467-T470 VanDerWaalsContact O-N 3.13Å; T470-M473 PolarHBondContact O-N 3.02Å; T470-V474 WeakPolarHBondContact O-CG2 3.45Å; T470-V474 PolarHBondContact O-N 3.37Å; T470-I649 HydrophobicContact CG2-CG1 4.15Å; T470-F652 HydrophobicContact CG2-CB 4.29Å
471N97.8Very high96.3Very high31 Ų3147.9 Ų47.917%0.16627%0.273CS..Hα-helixtrans-63.4-43.4177.7-72.91.4000111.9L420 V423 I467 P468 M473 V474 E475L420-N471 HydrophobicContact CD2-CB 3.73Å; V423-N471 WeakPolarHBondContact CG2-OD1 3.46Å; I467-N471 WeakPolarHBondContact O-CB 3.44Å; I467-N471 PolarHBondContact O-N 2.68Å; P468-N471 PolarHBondContact O-N 3.24Å; N471-M473 VanDerWaalsContact C-N 3.27Å; N471-M473 PolarHBondContact O-N 3.47Å; N471-V474 WeakPolarHBondContact O-CB 3.4Å; N471-V474 PolarHBondContact O-N 3.34Å; N471-V474 VanDerWaalsContact O-N 3.13Å; N471-E475 WeakPolarHBondContact O-CB 3.38Å; N471-E475 WeakPolarHBondContact O-CG 3.36Å; N471-E475 PolarHBondContact O-N 3Å
472Q98Very high96.3Very high129 Ų12946.8 Ų46.860%0.60326%0.261SS*.Hα-helixtrans-58.5-38.2175.5-174.5-178.110.300112P468 S476P468-Q472 VanDerWaalsContact O-CB 3.31Å; P468-Q472 WeakPolarHBondContact O-CB 3.43Å; P468-Q472 PolarHBondContact O-N 3.27Å; Q472-S476 WeakPolarHBondContact O-CB 3.18Å; Q472-S476 PolarHBondContact O-N 2.92Å; Q472-S476 PolarHBondContact O-OG 2.97Å
473M97.8Very high96.3Very high61 Ų6149.9 Ų49.930%0.329%0.289SS..Hα-helixtrans-71.5-39.4175.3-174.761.2-17700112.2V469 T470 N471 S476 L477 T648 F652V469-M473 PolarHBondContact O-N 2.99Å; T470-M473 PolarHBondContact O-N 3.02Å; N471-M473 VanDerWaalsContact C-N 3.27Å; N471-M473 PolarHBondContact O-N 3.47Å; M473-S476 WeakPolarHBondContact O-CB 3.48Å; M473-S476 PolarHBondContact O-N 2.68Å; M473-L477 HydrophobicContact CE-CD1 4.36Å; M473-L477 HydrophobicContact CE-CD2 4.18Å; M473-L477 HydrophobicContact CE-CG 4.14Å; M473-L477 WeakPolarHBondContact O-CG 3.46Å; M473-L477 PolarHBondContact O-N 2.93Å; M473-T648 HydrophobicContact CB-CG2 3.96Å; M473-T648 HydrophobicContact CG-CG2 3.47Å; M473-T648 VanDerWaalsContact CG-CG2 3.47Å; M473-F652 HydrophobicContact CB-CD2 4.4Å; M473-F652 HydrophobicContact CB-CE2 4.27Å; M473-F652 HydrophobicContact CB-CZ 4.47Å; M473-F652 HydrophobicContact CE-CE2 4.38Å; M473-F652 HydrophobicContact CG-CD2 4.08Å; M473-F652 HydrophobicContact CG-CE2 3.62Å; M473-F652 HydrophobicContact CG-CZ 4.03Å; M473-F652 HydrophobicContact SD-CE2 4.31Å; M473-F652 HydrophobicContact SD-CZ 4.31Å
474V97.7Very high96.2Very high0 Ų057.5 Ų57.50%032%0.319CS..Hα-helixtrans-61.3-45.1173.8165.80000111.4L416 L420 V423 T470 N471 S476 L477 I478 I645 T648L416-V474 HydrophobicContact CD1-CG1 4.04Å; L420-V474 HydrophobicContact CD2-CB 4.26Å; L420-V474 HydrophobicContact CD2-CG1 3.87Å; L420-V474 HydrophobicContact CG-CG1 4.3Å; V423-V474 HydrophobicContact CG2-CG2 4.05Å; T470-V474 WeakPolarHBondContact O-CG2 3.45Å; T470-V474 PolarHBondContact O-N 3.37Å; N471-V474 WeakPolarHBondContact O-CB 3.4Å; N471-V474 PolarHBondContact O-N 3.34Å; N471-V474 VanDerWaalsContact O-N 3.13Å; V474-S476 VanDerWaalsContact C-N 3.34Å; V474-S476 PolarHBondContact O-N 2.65Å; V474-L477 PolarHBondContact O-N 3.32Å; V474-I478 PolarHBondContact O-N 3.31Å; V474-I478 VanDerWaalsContact O-N 3.14Å; V474-I645 HydrophobicContact CB-CD1 4.3Å; V474-I645 HydrophobicContact CG1-CD1 3.98Å; V474-I645 HydrophobicContact CG2-CD1 4Å; V474-I645 HydrophobicContact CG2-CG2 4.5Å; V474-T648 HydrophobicContact CG2-CG2 4.33Å
475E97.9Very high96Very high90 Ų9055.5 Ų55.542%0.42130%0.303SS..Hα-helixtrans-61.2-40.8172.9-73.8171.1-166.800112L416 L420 N471 I478 S479L416-E475 HydrophobicContact CD1-CB 4.49Å; L416-E475 HydrophobicContact CD1-CG 3.85Å; L416-E475 HydrophobicContact CD2-CG 4.37Å; L420-E475 HydrophobicContact CD2-CG 4.44Å; N471-E475 WeakPolarHBondContact O-CB 3.38Å; N471-E475 WeakPolarHBondContact O-CG 3.36Å; N471-E475 PolarHBondContact O-N 3Å; E475-I478 PolarHBondContact O-N 2.89Å; E475-S479 VanDerWaalsContact O-CB 3.31Å; E475-S479 WeakPolarHBondContact O-CB 3.44Å; E475-S479 PolarHBondContact O-N 3.04Å; E475-S479 PolarHBondContact O-OG 3.15Å
476S97.5Very high95.7Very high50 Ų5054.5 Ų54.535%0.3529%0.293SS..Hα-helixtrans-63.9-40.7176.2-61.40000112Q472 M473 V474 S479 I480Q472-S476 WeakPolarHBondContact O-CB 3.18Å; Q472-S476 PolarHBondContact O-N 2.92Å; Q472-S476 PolarHBondContact O-OG 2.97Å; M473-S476 WeakPolarHBondContact O-CB 3.48Å; M473-S476 PolarHBondContact O-N 2.68Å; V474-S476 VanDerWaalsContact C-N 3.34Å; V474-S476 PolarHBondContact O-N 2.65Å; S476-S479 WeakPolarHBondContact O-CB 3.4Å; S476-S479 PolarHBondContact O-N 2.9Å; S476-I480 VanDerWaalsContact O-CG1 3.31Å; S476-I480 WeakPolarHBondContact O-CG1 3.45Å; S476-I480 PolarHBondContact O-N 2.84Å
477L96.5Very high95.3Very high30 Ų3056 Ų5616%0.15731%0.307CS..Hα-helixtrans-64.3-43.6176.6-74.6168.9000112.5M473 V474 S479 I480 Q481 I645 T648M473-L477 HydrophobicContact CE-CD1 4.36Å; M473-L477 HydrophobicContact CE-CD2 4.18Å; M473-L477 HydrophobicContact CE-CG 4.14Å; M473-L477 WeakPolarHBondContact O-CG 3.46Å; M473-L477 PolarHBondContact O-N 2.93Å; V474-L477 PolarHBondContact O-N 3.32Å; L477-S479 VanDerWaalsContact C-N 3.31Å; L477-I480 PolarHBondContact O-N 2.79Å; L477-Q481 WeakPolarHBondContact O-CG 3.29Å; L477-Q481 PolarHBondContact O-N 2.91Å; L477-I645 HydrophobicContact CB-CD1 4.43Å; L477-I645 HydrophobicContact CD1-CD1 3.99Å; L477-T648 HydrophobicContact CD1-CG2 4.16Å; L477-T648 WeakPolarHBondContact CD1-OG1 3.42Å
478I96.6Very high94.7Very high4 Ų463.1 Ų63.12%0.02134%0.336CS..Hα-helixtrans-66.2-36.4173-59-58.7000110.8I412 L415 L416 V474 E475 I480 Q481 L482 V641I412-I478 HydrophobicContact CG2-CG2 4.34Å; L415-I478 HydrophobicContact CB-CD1 4.07Å; L416-I478 HydrophobicContact CB-CG1 4.22Å; L416-I478 HydrophobicContact CB-CG2 4.36Å; L416-I478 HydrophobicContact CD1-CB 4.4Å; L416-I478 HydrophobicContact CD1-CG1 3.96Å; V474-I478 PolarHBondContact O-N 3.31Å; V474-I478 VanDerWaalsContact O-N 3.14Å; E475-I478 PolarHBondContact O-N 2.89Å; I478-I480 PolarHBondContact O-N 3.3Å; I478-Q481 WeakPolarHBondContact O-CB 3.46Å; I478-Q481 PolarHBondContact O-N 3.5Å; I478-L482 HydrophobicContact CG2-CD1 3.96Å; I478-L482 HydrophobicContact CG2-CG 4.48Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.33Å; I478-L482 PolarHBondContact O-N 2.9Å; I478-L482 VanDerWaalsContact O-N 3.12Å; I478-V641 HydrophobicContact CD1-CG1 4.36Å; I478-V641 HydrophobicContact CD1-CG2 3.79Å
479S96.4Very high94.1Very high69 Ų6961.5 Ų61.548%0.48332%0.322SS..Hα-helixtrans-64.3-37.1176.5-600000112.7E475 S476 L477 Q481 L482 A483E475-S479 VanDerWaalsContact O-CB 3.31Å; E475-S479 WeakPolarHBondContact O-CB 3.44Å; E475-S479 PolarHBondContact O-N 3.04Å; E475-S479 PolarHBondContact O-OG 3.15Å; S476-S479 WeakPolarHBondContact O-CB 3.4Å; S476-S479 PolarHBondContact O-N 2.9Å; L477-S479 VanDerWaalsContact C-N 3.31Å; S479-Q481 PolarHBondContact O-N 2.89Å; S479-L482 CarbonylContact O-C 3.56Å; S479-L482 PolarHBondContact O-N 2.8Å; S479-L482 VanDerWaalsContact O-N 3.14Å; S479-A483 WeakPolarHBondContact O-CB 3.13Å; S479-A483 PolarHBondContact O-N 3.08Å
480I96.1Very high93.5Very high108 Ų10864 Ų6455%0.55434%0.339SS*.Hα-helixtrans-60.8-43.5173.2-71.7161.2000110.9S476 L477 I478 L482 A483S476-I480 VanDerWaalsContact O-CG1 3.31Å; S476-I480 WeakPolarHBondContact O-CG1 3.45Å; S476-I480 PolarHBondContact O-N 2.84Å; L477-I480 PolarHBondContact O-N 2.79Å; I478-I480 PolarHBondContact O-N 3.3Å; I480-L482 PolarHBondContact O-N 3Å; I480-A483 PolarHBondContact O-N 3.47Å
481Q93.7Very high92.9Very high21 Ų2169 Ų6910%0.09837%0.366CS..Hα-helixtrans-65.7-22.8175.8-61.8-66.1-22.600113.6I412 L477 I478 S479 V637 Q640I412-Q481 HydrophobicContact CG2-CB 3.85Å; L477-Q481 WeakPolarHBondContact O-CG 3.29Å; L477-Q481 PolarHBondContact O-N 2.91Å; I478-Q481 WeakPolarHBondContact O-CB 3.46Å; I478-Q481 PolarHBondContact O-N 3.5Å; S479-Q481 PolarHBondContact O-N 2.89Å; Q481-V637 HydrophobicContact CB-CG1 4.15Å; Q481-V637 HydrophobicContact CG-CG1 3.96Å; Q481-Q640 VanDerWaalsContact NE2-CD 3.26Å
482L94Very high92.3Very high42 Ų4268.6 Ų68.622%0.2236%0.363CS..Hα-helixtrans-93-22.4177.6-66.6169.1000113K409 I412 V413 I478 S479 I480K409-L482 HydrophobicContact CB-CD2 3.81Å; K409-L482 WeakPolarHBondContact CE-O 3.38Å; K409-L482 HydrophobicContact CG-CD2 4Å; K409-L482 PolarHBondContact NZ-O 2.89Å; K409-L482 WeakPolarHBondContact O-CD2 3.46Å; I412-L482 HydrophobicContact CB-CD2 3.77Å; I412-L482 HydrophobicContact CG2-CD2 3.69Å; I412-L482 HydrophobicContact CG2-CG 3.94Å; V413-L482 HydrophobicContact CG2-CD1 3.67Å; V413-L482 HydrophobicContact CG2-CD2 3.94Å; V413-L482 HydrophobicContact CG2-CG 4.48Å; I478-L482 HydrophobicContact CG2-CD1 3.96Å; I478-L482 HydrophobicContact CG2-CG 4.48Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.33Å; I478-L482 PolarHBondContact O-N 2.9Å; I478-L482 VanDerWaalsContact O-N 3.12Å; S479-L482 CarbonylContact O-C 3.56Å; S479-L482 PolarHBondContact O-N 2.8Å; S479-L482 VanDerWaalsContact O-N 3.14Å; I480-L482 PolarHBondContact O-N 3Å
483A93.6Very high90.8Very high79 Ų7967.2 Ų67.265%0.65336%0.36SS*.Hα-helixtrans-68.4-46.2179.800000111.8S479 I480S479-A483 WeakPolarHBondContact O-CB 3.13Å; S479-A483 PolarHBondContact O-N 3.08Å; I480-A483 PolarHBondContact O-N 3.47Å
484Y92.8Very high88.8Confident160 Ų16066.3 Ų66.363%0.62737%0.366SS*.  trans-137.2125.4-176.2-178.1-103.3000111.7N486Y484-N486 HydrophobicContact CD1-CB 4.21Å; Y484-N486 HydrophobicContact CE1-CB 3.77Å
485I91.3Very high86.6Confident17 Ų1768.9 Ų68.99%0.08739%0.387CS..  trans-99.1115.1173.7-76.6179.8000108.6F404 E405 V408 K409 T487 Y633F404-I485 HydrophobicContact CE1-CG2 3.94Å; F404-I485 HydrophobicContact CZ-CG2 4.38Å; E405-I485 HydrophobicContact CG-CD1 3.86Å; V408-I485 HydrophobicContact CB-CD1 3.83Å; V408-I485 HydrophobicContact CG1-CD1 3.5Å; V408-I485 VanDerWaalsContact CG1-CD1 3.5Å; V408-I485 HydrophobicContact CG1-CG1 4.45Å; K409-I485 HydrophobicContact CD-CD1 4.3Å; K409-I485 HydrophobicContact CG-CD1 3.62Å; I485-T487 HydrophobicContact CG2-CG2 4.3Å; I485-T487 PolarHBondContact O-N 3.22Å; I485-Y633 WeakPolarHBondContact CA-OH 3.46Å; I485-Y633 HydrophobicContact CG1-CE1 4.08Å; I485-Y633 HydrophobicContact CG2-CD2 4.31Å; I485-Y633 HydrophobicContact CG2-CE1 4.13Å; I485-Y633 HydrophobicContact CG2-CE2 3.88Å
486N89.1Confident84.5Confident47 Ų4766.5 Ų66.525%0.25138%0.378SS..  trans-87.986.1-175.5-173.713.4000111.4Y484 K488 H489 Y633Y484-N486 HydrophobicContact CD1-CB 4.21Å; Y484-N486 HydrophobicContact CE1-CB 3.77Å; N486-K488 PolarHBondContact O-N 2.94Å; N486-K488 PolarHBondContact OD1-N 2.95Å; N486-K488 VanDerWaalsContact OD1-N 3.12Å; N486-H489 HydrophobicContact CB-CB 4.32Å; N486-H489 WeakPolarHBondContact O-CB 3.44Å; N486-H489 PolarHBondContact O-N 2.85Å; N486-H489 PolarHBondContact OD1-N 3.38Å; N486-Y633 PolarHBondContact N-OH 2.91Å
487T85.7Confident82.5Confident71 Ų7167.5 Ų67.544%0.43638%0.379SS..THydrogen-bonded Turntrans-65.9-0.5173.652.50000114.3F404 I485 F492F404-T487 HydrophobicContact CE1-CG2 3.94Å; I485-T487 HydrophobicContact CG2-CG2 4.3Å; I485-T487 PolarHBondContact O-N 3.22Å; T487-F492 HydrophobicContact CG2-CE1 4.45Å
488K84.2Confident80.5Confident184 Ų18471.6 Ų71.680%0.840%0.398SS*.THydrogen-bonded Turntrans-115.823.6172-59.8-174178.6-176.30112.7N486N486-K488 PolarHBondContact O-N 2.94Å; N486-K488 PolarHBondContact OD1-N 2.95Å; N486-K488 VanDerWaalsContact OD1-N 3.12Å
489H85Confident78.6Confident45 Ų4574.6 Ų74.621%0.20842%0.419CS..  trans-64.7137.4172.3-170.8-81.4000109.9N486 D491 F492 I636N486-H489 HydrophobicContact CB-CB 4.32Å; N486-H489 WeakPolarHBondContact O-CB 3.44Å; N486-H489 PolarHBondContact O-N 2.85Å; N486-H489 PolarHBondContact OD1-N 3.38Å; H489-D491 IonicContact CE1-OD2 3.53Å; H489-D491 PolarHBondContact CE1-OD2 2.96Å; H489-D491 PolarHBondContact ND1-N 3.43Å; H489-D491 PolarHBondContact O-N 2.98Å; H489-F492 HydrophobicContact CB-CB 3.87Å; H489-F492 WeakPolarHBondContact O-CB 3.34Å; H489-F492 PolarHBondContact O-N 2.89Å; H489-I636 VanDerWaalsContact CE1-CG2 3.49Å; H489-I636 WeakPolarHBondContact CE1-CG2 3.23Å
490P85.1Confident76.6Confident105 Ų10572.2 Ų72.268%0.68240%0.401SS*.THydrogen-bonded Turntrans-56.7-46.9-176.521-33.1000112.4F492P490-F492 PolarHBondContact O-N 3.28Å
491D85.1Confident74.8Confident106 Ų10670.8 Ų70.857%0.56739%0.394SS*.THydrogen-bonded Turntrans-74.3-2.2178.7-43.9-17.7000113.9H489 D493 I636H489-D491 IonicContact CE1-OD2 3.53Å; H489-D491 PolarHBondContact CE1-OD2 2.96Å; H489-D491 PolarHBondContact ND1-N 3.43Å; H489-D491 PolarHBondContact O-N 2.98Å; D491-D493 VanDerWaalsContact C-N 3.35Å; D491-D493 PolarHBondContact O-N 2.93Å; D491-I636 HydrophobicContact CB-CD1 4.16Å; D491-I636 HydrophobicContact CB-CG1 4.21Å; D491-I636 WeakPolarHBondContact O-CD1 3.34Å
492F84.3Confident72.8Confident22 Ų2277.7 Ų77.710%0.09642%0.42CS..SBendtrans-92.772.4177.1-173.5-116.3000109.7F404 T487 H489 P490 G494 L629 Y633 I636F404-F492 HydrophobicContact CE2-CZ 4.13Å; F404-F492 HydrophobicContact CZ-CE1 4.43Å; F404-F492 HydrophobicContact CZ-CE2 4.29Å; F404-F492 AromaticContact CZ-CZ 3.7Å; F404-F492 HydrophobicContact CZ-CZ 3.7Å; T487-F492 HydrophobicContact CG2-CE1 4.45Å; H489-F492 HydrophobicContact CB-CB 3.87Å; H489-F492 WeakPolarHBondContact O-CB 3.34Å; H489-F492 PolarHBondContact O-N 2.89Å; P490-F492 PolarHBondContact O-N 3.28Å; F492-G494 PolarHBondContact O-N 3.32Å; F492-L629 HydrophobicContact CZ-CD2 3.97Å; F492-Y633 AromaticContact CD2-CD2 3.85Å; F492-Y633 HydrophobicContact CD2-CD2 3.85Å; F492-Y633 HydrophobicContact CD2-CG 4.43Å; F492-Y633 HydrophobicContact CE2-CD2 4.04Å; F492-Y633 HydrophobicContact CE2-CG 4.37Å; F492-Y633 HydrophobicContact CG-CD2 4.12Å; F492-Y633 HydrophobicContact CZ-CD2 4.43Å; F492-I636 HydrophobicContact CB-CD1 3.56Å; F492-I636 HydrophobicContact CD2-CD1 4.02Å; F492-I636 HydrophobicContact CG-CD1 4.27Å
493D66.7Low70.7Confident101 Ų10178.4 Ų78.454%0.5443%0.428SS..  trans-55.7101.5-174.4-87.2-43.4000113.1D491 A495 T496D491-D493 VanDerWaalsContact C-N 3.35Å; D491-D493 PolarHBondContact O-N 2.93Å; D493-A495 HydrophobicContact CB-CB 4.36Å; D493-A495 PolarHBondContact O-N 3.1Å; D493-A495 VanDerWaalsContact O-N 3.16Å; D493-T496 VanDerWaalsContact O-CB 3.24Å; D493-T496 WeakPolarHBondContact O-CB 3.49Å; D493-T496 PolarHBondContact O-N 2.83Å; D493-T496 PolarHBondContact O-OG1 3.35Å
494G56.6Low68.4Low42 Ų4280.4 Ų80.443%0.43342%0.424SS..THydrogen-bonded Turntrans-57.7-19164.800000112.7F492 T496 L497 E498F492-G494 PolarHBondContact O-N 3.32Å; G494-T496 PolarHBondContact O-N 3.39Å; G494-T496 VanDerWaalsContact O-N 3.16Å; G494-L497 CarbonylContact O-C 3.48Å; G494-L497 WeakPolarHBondContact O-CA 3.42Å; G494-L497 VanDerWaalsContact O-CB 3.3Å; G494-L497 WeakPolarHBondContact O-CB 3.38Å; G494-L497 PolarHBondContact O-N 3.4Å; G494-E498 PolarHBondContact O-N 2.63Å
495A50.7Low66.1Low53 Ų5377.2 Ų77.244%0.43842%0.421SS..Hα-helixtrans-56.1-25.8167.300000112.8D493 S499D493-A495 HydrophobicContact CB-CB 4.36Å; D493-A495 PolarHBondContact O-N 3.1Å; D493-A495 VanDerWaalsContact O-N 3.16Å; A495-S499 WeakPolarHBondContact O-CB 3.3Å; A495-S499 PolarHBondContact O-N 3.1Å
496T54.6Low63.8Low40 Ų4083.5 Ų83.525%0.24545%0.45CS..Hα-helixtrans-62.9-43.5169.5-49.30000110.9D493 G494 L500 R628D493-T496 VanDerWaalsContact O-CB 3.24Å; D493-T496 WeakPolarHBondContact O-CB 3.49Å; D493-T496 PolarHBondContact O-N 2.83Å; D493-T496 PolarHBondContact O-OG1 3.35Å; G494-T496 PolarHBondContact O-N 3.39Å; G494-T496 VanDerWaalsContact O-N 3.16Å; T496-L500 HydrophobicContact CG2-CD1 4.03Å; T496-L500 VanDerWaalsContact O-CB 3.31Å; T496-L500 WeakPolarHBondContact O-CB 3.43Å; T496-L500 VanDerWaalsContact O-CD1 3.25Å; T496-L500 WeakPolarHBondContact O-CD1 3.38Å; T496-L500 WeakPolarHBondContact O-CG 3.47Å; T496-L500 PolarHBondContact O-N 3.4Å; T496-R628 HydrophobicContact CG2-CB 4.33Å
497L54.2Low61.4Low71 Ų7187.6 Ų87.637%0.37247%0.468SS..Hα-helixtrans-70.6-43.4177.3-176.766.2000111G494 L500 L501 I625G494-L497 CarbonylContact O-C 3.48Å; G494-L497 WeakPolarHBondContact O-CA 3.42Å; G494-L497 VanDerWaalsContact O-CB 3.3Å; G494-L497 WeakPolarHBondContact O-CB 3.38Å; G494-L497 PolarHBondContact O-N 3.4Å; L497-L500 CarbonylContact O-C 3.59Å; L497-L500 PolarHBondContact O-N 2.91Å; L497-L501 HydrophobicContact CD1-CD1 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.49Å; L497-L501 HydrophobicContact CG-CD1 4Å; L497-L501 HydrophobicContact CG-CG 4.46Å; L497-L501 WeakPolarHBondContact O-CB 3.44Å; L497-L501 VanDerWaalsContact O-CG 3.23Å; L497-L501 WeakPolarHBondContact O-CG 3.33Å; L497-L501 PolarHBondContact O-N 3.19Å; L497-I625 HydrophobicContact CD1-CG2 4.09Å
498E54.9Low59.2Low117 Ų11791.5 Ų91.555%0.54749%0.486SS..Hα-helixtrans-60-49.7174.5-69.4-174.7138.200111.4G494 L500 L501 Y502G494-E498 PolarHBondContact O-N 2.63Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.24Å; E498-L501 CarbonylContact O-C 3.53Å; E498-L501 WeakPolarHBondContact O-CA 3.31Å; E498-L501 PolarHBondContact O-N 3.07Å; E498-Y502 HydrophobicContact CB-CD2 4.38Å; E498-Y502 HydrophobicContact CB-CE2 4.39Å; E498-Y502 WeakPolarHBondContact O-CD2 3.42Å; E498-Y502 PolarHBondContact O-N 2.85Å
499S56Low56.8Low66 Ų6686.7 Ų86.746%0.46248%0.475SS..Hα-helixtrans-56.4-41.9175.3176.30000112.1A495 L501 Y502 C503A495-S499 WeakPolarHBondContact O-CB 3.3Å; A495-S499 PolarHBondContact O-N 3.1Å; S499-L501 VanDerWaalsContact C-N 3.33Å; S499-L501 PolarHBondContact O-N 3.06Å; S499-Y502 PolarHBondContact O-N 2.86Å; S499-C503 PolarHBondContact O-N 2.85Å; S499-C503 VanDerWaalsContact O-N 3.1Å; S499-C503 PolarHBondContact O-SG 3.29Å
500L54.5Low54.3Low20 Ų2090 Ų9011%0.10550%0.503CS..Hα-helixtrans-68.5-27.7175.1-78.7162.5000114.1T496 L497 E498 I625 R628T496-L500 HydrophobicContact CG2-CD1 4.03Å; T496-L500 VanDerWaalsContact O-CB 3.31Å; T496-L500 WeakPolarHBondContact O-CB 3.43Å; T496-L500 VanDerWaalsContact O-CD1 3.25Å; T496-L500 WeakPolarHBondContact O-CD1 3.38Å; T496-L500 WeakPolarHBondContact O-CG 3.47Å; T496-L500 PolarHBondContact O-N 3.4Å; L497-L500 CarbonylContact O-C 3.59Å; L497-L500 PolarHBondContact O-N 2.91Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.24Å; L500-I625 HydrophobicContact CB-CG1 4.04Å; L500-I625 HydrophobicContact CD1-CB 4.28Å; L500-I625 HydrophobicContact CD1-CG1 3.98Å; L500-I625 HydrophobicContact CD1-CG2 4.25Å; L500-I625 HydrophobicContact CD2-CG1 3.98Å; L500-I625 HydrophobicContact CG-CG1 4.23Å; L500-R628 HydrophobicContact CD1-CB 4.28Å
501L57.8Low51.7Low77 Ų7793 Ų9340%0.40351%0.513SS..Hα-helixtrans-79.4-35.5173.2-70.5168.7000111.4L497 E498 S499 C503 Q504L497-L501 HydrophobicContact CD1-CD1 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.49Å; L497-L501 HydrophobicContact CG-CD1 4Å; L497-L501 HydrophobicContact CG-CG 4.46Å; L497-L501 WeakPolarHBondContact O-CB 3.44Å; L497-L501 VanDerWaalsContact O-CG 3.23Å; L497-L501 WeakPolarHBondContact O-CG 3.33Å; L497-L501 PolarHBondContact O-N 3.19Å; E498-L501 CarbonylContact O-C 3.53Å; E498-L501 WeakPolarHBondContact O-CA 3.31Å; E498-L501 PolarHBondContact O-N 3.07Å; S499-L501 VanDerWaalsContact C-N 3.33Å; S499-L501 PolarHBondContact O-N 3.06Å; L501-C503 VanDerWaalsContact C-N 3.26Å; L501-C503 PolarHBondContact O-N 2.85Å; L501-Q504 WeakPolarHBondContact O-CB 3.48Å; L501-Q504 WeakPolarHBondContact O-CG 3.31Å; L501-Q504 PolarHBondContact O-N 3.43Å; L501-Q504 PolarHBondContact O-NE2 3.08Å
502Y53.5Low48.9Very low167 Ų16797 Ų9766%0.65553%0.528SS*.Hα-helixtrans-68.4-21.7172.7-79.2-66.6000113.1E498 S499 Q504 T505E498-Y502 HydrophobicContact CB-CD2 4.38Å; E498-Y502 HydrophobicContact CB-CE2 4.39Å; E498-Y502 WeakPolarHBondContact O-CD2 3.42Å; E498-Y502 PolarHBondContact O-N 2.85Å; S499-Y502 PolarHBondContact O-N 2.86Å; Y502-Q504 PolarHBondContact O-N 2.65Å; Y502-T505 PolarHBondContact O-N 3.31Å; Y502-T505 VanDerWaalsContact O-N 3.09Å; Y502-T505 PolarHBondContact O-OG1 2.9Å
503C49.3Very low46.2Very low57 Ų57104.9 Ų104.939%0.38557%0.565SS.*Hα-helixtrans-61.2-1.2164.1-64.90000114.2S499 L501 T505S499-C503 PolarHBondContact O-N 2.85Å; S499-C503 VanDerWaalsContact O-N 3.1Å; S499-C503 PolarHBondContact O-SG 3.29Å; L501-C503 VanDerWaalsContact C-N 3.26Å; L501-C503 PolarHBondContact O-N 2.85Å; C503-T505 VanDerWaalsContact C-N 3.33Å
504Q45.4Very low44.3Very low121 Ų121106.7 Ų106.757%0.56558%0.579SS**Hα-helixtrans-72.6-20.4168.1-70.2177.157.600113.9L501 Y502L501-Q504 WeakPolarHBondContact O-CB 3.48Å; L501-Q504 WeakPolarHBondContact O-CG 3.31Å; L501-Q504 PolarHBondContact O-N 3.43Å; L501-Q504 PolarHBondContact O-NE2 3.08Å; Y502-Q504 PolarHBondContact O-N 2.65Å
505T44.8Very low43Very low93 Ų93110.4 Ų110.457%0.57160%0.596SS**Hα-helixtrans-101.2-31.4-172.645.20000115.4Y502 C503Y502-T505 PolarHBondContact O-N 3.31Å; Y502-T505 VanDerWaalsContact O-N 3.09Å; Y502-T505 PolarHBondContact O-OG1 2.9Å; C503-T505 VanDerWaalsContact C-N 3.33Å
506E41.6Very low41.7Very low149 Ų149114.3 Ų114.370%0.69662%0.618SS**Hα-helixtrans-95.2-23.9-170.3-64.9-170.5157.400115.6N508 S509E506-N508 PolarHBondContact O-N 3.05Å; E506-S509 PolarHBondContact O-N 2.91Å; E506-S509 PolarHBondContact O-OG 3.44Å
507E40.3Very low40.3Very low132 Ų132117.3 Ų117.362%0.61764%0.641SS**THydrogen-bonded Turntrans-65.9-4.3173.2-76.9-171.9161.100112.8R624E507-R624 IonicContact OE1-NH1 3.88Å
508N38.4Very low38.7Very low154 Ų154120.1 Ų120.182%0.82466%0.662SS**THydrogen-bonded Turntrans-112.72.1-179.8-91.926000114.8E506E506-N508 PolarHBondContact O-N 3.05Å
509S34.2Very low37.4Very low82 Ų82121.1 Ų121.157%0.57368%0.675SS**SBendtrans-121.623.6-171.263.30000115.3E506E506-S509 PolarHBondContact O-N 2.91Å; E506-S509 PolarHBondContact O-OG 3.44Å
510C31.9Very low36.1Very low115 Ų115122.9 Ų122.978%0.77769%0.685SS**SBendtrans-121.130.6178.4-67.40000113.9
511D30.2Very low34.5Very low167 Ų167130.7 Ų130.789%0.89372%0.721SS**SBendtrans-157.655.9174.1-114.1-25.1000113.4
512E27.5Very low32.8Very low190 Ų190133.2 Ų133.289%0.88874%0.735SS**  trans-150.264.4173.6-148.4172.4-123.300115.6
513Q26.2Very low31.5Very low189 Ų189132.1 Ų132.188%0.88374%0.735SS**  trans-145.268.8160.7-78.8-155.43.700114.5
514V28.5Very low30.2Very low138 Ų138139.9 Ų139.984%0.83676%0.757SS**  trans-145.8120.8136.5-177.40000108.1
515P28.8Very low29.1Very low121 Ų121141 Ų14179%0.78677%0.772SS**  trans-86.2145.8177.834-33.7000112
516C22.6Very low28Very low134 Ų134139.5 Ų139.591%0.90578%0.775SS**  trans-147149.2152.6-147.20000111.6
517S25.3Very low27Very low103 Ų103142.5 Ų142.572%0.7279%0.786SS**  trans-90.9148-166.152.60000114.4
518T21.8Very low26.1Very low131 Ų131140.8 Ų140.880%0.80479%0.788SS**  trans-17.9130155.852.70000117.6
519V26.5Very low25.3Very low138 Ų138138.5 Ų138.584%0.83679%0.785SS**  -166.9143.7129137.60000107.8
520P28.6Very low24.7Very low102 Ų102138.9 Ų138.966%0.66279%0.792SS**  trans-90.6174.9-167.836.8-38.4000114.9
521E22.3Very low24.3Very low185 Ų185139.8 Ų139.886%0.86479%0.79SS**  trans30.2126.8150.8-61.8172.7152.200117.9
522D22.2Very low23.9Very low130 Ų130138.1 Ų138.170%0.69578%0.777SS**  cis-170.4177.148.7-157.1-7.3000113.4
523H25.9Very low23.6Very low143 Ų143136.9 Ų136.966%0.66277%0.773SS**  trans59.4100.7150.7-82.328.3000121.7
524R21.8Very low23.5Very low220 Ų220134.2 Ų134.283%0.8376%0.764SS**  53.2144.5123-70.5-178.8169.2-177.3-2122.2
525T22.6Very low23.2Very low146 Ų146131.5 Ų131.590%0.89675%0.752SS**  trans74.2143.5174.177.10000114.5
526G21.2Very low22.8Very low61 Ų61134 Ų13463%0.62975%0.753SS**  cis138138.5-4.800000111.8
527K21.3Very low22.7Very low211 Ų211132.2 Ų132.292%0.91774%0.742SS**  trans80.4151.1-164.4-56.2171.2-178175.20112.9
528S20.2Very low22.7Very low96 Ų96134.7 Ų134.767%0.67175%0.746SS**  cis-172.8163.3-17.6490000110.5
529S21.5Very low22.6Very low107 Ų107136 Ų13675%0.74874%0.743SS**  trans74.7119.7162.5-48.90000114.3
530A22.4Very low22.3Very low89 Ų89133.2 Ų133.274%0.73673%0.729SS**  75.6136.589.400000111.5
531D22.4Very low22.1Very low134 Ų134135.9 Ų135.972%0.71774%0.737SS**  cis-160.9-177.78.1-134.6-7.2000108.2
532Q23Very low22.4Very low133 Ų133131 Ų13162%0.62172%0.721SS**  cis-161.4168.98.9-147.1161.881.100109
533M21.2Very low22.3Very low163 Ų163133 Ų13380%0.80373%0.727SS**  trans67.8143.8157.8-74.2-178-169.100119.1
534N22.4Very low22.1Very low133 Ų133130.7 Ų130.771%0.71173%0.727SS**  cis-159.5164.1-9.4-170.119.3000110.6
535S22.2Very low22.2Very low82 Ų82126 Ų12657%0.57372%0.722SS**  trans53.9135.4146.455.60000121.8
536Q21.6Very low22.1Very low172 Ų172124.7 Ų124.780%0.80471%0.71SS**  cis-172.4138.3-14-132.7163.6-8.300110.9
537S21.3Very low22.1Very low98 Ų98129 Ų12969%0.68571%0.711SS**  trans51.3157.3144.459.90000123.5
538I23.4Very low22Very low154 Ų154126 Ų12679%0.7970%0.698SS**  trans83.4116.2170-53.5178.7000114.2
539E21.2Very low22Very low160 Ų160128.1 Ų128.175%0.74870%0.697SS**  cis-158.5175.5-12.8-127-134.385.800115.2
540S20.5Very low21.9Very low79 Ų79129.8 Ų129.855%0.55270%0.696SS**  trans-71.1175163.515.20000112.4
541L24.1Very low21.9Very low158 Ų158129.6 Ų129.683%0.82770%0.695SS**  cis-172.6-168-7.3-106.8168.7000105.6
542P28.8Very low21.7Very low82 Ų82130.6 Ų130.653%0.53270%0.7SS.*  cis-131.1-176.3-22.433.9-13.6000114.6
543E20.3Very low21.6Very low173 Ų173128 Ų12881%0.80870%0.701SS**  trans60.2154.5138.8-77.5153.8-144.300123.3
544S21.1Very low21.5Very low94 Ų94124.5 Ų124.566%0.65770%0.698SS**  cis-171.8-165-28.757.90000110.1
545V23.5Very low21.4Very low121 Ų121123.8 Ų123.873%0.73370%0.703SS**  trans74.399.2172.5-1710000113.9
546D20.8Very low21.3Very low119 Ų119124.9 Ų124.964%0.63671%0.711SS**  71.5142.679.7-87.26.8000114.3
547K20.2Very low21.3Very low151 Ų151122.2 Ų122.266%0.65771%0.711SS**  cis-170.3176.2-8.6-126.5176.7-16781.20108.6
548K20.9Very low21.4Very low148 Ų148124.1 Ų124.164%0.64372%0.719SS**  trans73.1127.6154.7-77.7-172.9171.7-740117.7
549E19.1Very low21.4Very low140 Ų140121.9 Ų121.965%0.65471%0.714SS**  75147.274.6-70172.7-157.100113.7
550I20.2Very low21.5Very low143 Ų143124.2 Ų124.273%0.73372%0.722SS**  cis-161.5136.6-15.3-112.2168.1000107.4
551A20.9Very low21.5Very low85 Ų85128.8 Ų128.870%0.70274%0.735SS**  trans49.1-169.3154.900000118
552D18.8Very low21.2Very low155 Ų155126.9 Ų126.983%0.82974%0.735SS**  cis-151.4-179.8-29.6-137-37.7000111.4
553A20.1Very low20.9Very low77 Ų77127.6 Ų127.664%0.63674%0.742SS**  trans60.197.1144.400000122
554A19.7Very low20.9Very low91 Ų91124.3 Ų124.375%0.75274%0.737SS**  66.5148109.400000123.8
555S20.3Very low20.9Very low117 Ų117124 Ų12482%0.81874%0.736SS**  trans73.7149.5160.585.40000116.9
556S20.1Very low20.9Very low106 Ų106125.5 Ų125.574%0.74174%0.739SS**  cis-166.3-164.3-19.654.90000110.3
557S22.6Very low20.9Very low115 Ų115123.1 Ų123.180%0.80474%0.743SS**  trans88.295167.875.50000119.8
558V21.9Very low21.4Very low138 Ų138121.4 Ų121.484%0.83675%0.747SS**  trans-74.1143.6140.6176.30000105.8
559P25.1Very low21.4Very low107 Ų107119.3 Ų119.370%0.69575%0.747SS**  -153.9170.457.443.4-23.3000119.5
560K23.6Very low21.6Very low209 Ų209121.2 Ų121.291%0.90976%0.755SS**  -160.5160124.5-107.9161.5-175.21760111.2
561Q18.6Very low21.7Very low176 Ų176117.6 Ų117.682%0.82275%0.753SS**  trans-124.7164.9-168.2-61.8171.6-67.900111.8
562S19.4Very low22.1Very low118 Ų118124.5 Ų124.583%0.82576%0.763SS**  trans66.8155.2155.982.20000116.8
563S21.7Very low22.5Very low97 Ų97122.4 Ų122.468%0.67876%0.758SS**  cis-152.2167.17.649.20000111.5
564S20.7Very low22.7Very low103 Ų103127.2 Ų127.272%0.7277%0.765SS**  trans30.9147144570000122.2
565S21.3Very low23.1Very low89 Ų89126.2 Ų126.262%0.62276%0.763SS**  cis-173.1-176.3-7.944.10000108.9
566D23.6Very low23.6Very low152 Ų152128.4 Ų128.481%0.81376%0.76SS**  trans73.9134.2156.6-48.7-46.6000120.7
567G21.1Very low24.3Very low68 Ų68127.4 Ų127.470%0.70175%0.753SS**  trans-105.4-153.5150.900000109.5
568P30.8Very low25Very low115 Ų115127.4 Ų127.475%0.74774%0.744SS**  cis-141.9-179.410.242.4-23.6000116.2
569T19.7Very low25.8Very low105 Ų105128 Ų12864%0.64474%0.742SS**  trans73.2147.4153.5-28.40000119.7
570H24.3Very low26.4Very low180 Ų180126.3 Ų126.383%0.83374%0.737SS**  trans65.6125173.5-52.9-73.5000116.4
571G21.3Very low27.3Very low67 Ų67121.5 Ų121.569%0.69172%0.718SS**  cis122.685-400000113
572Y28.6Very low28.2Very low229 Ų229122.3 Ų122.390%0.89871%0.713SS**  trans-132.2154.7169.6-87.6-84.7000111.2
573P27.9Very low29.2Very low111 Ų111119.3 Ų119.372%0.72170%0.695SS**  trans-107.1161.3-15240.1-36.2000116.2
574F24.2Very low30.2Very low179 Ų179118.6 Ų118.679%0.78569%0.687SS**  trans51.7113.3145.9-149.7-92.4000120Q576F574-Q576 HydrophobicContact CZ-CG 4.28Å
575G29Very low31.2Very low69 Ų69118.2 Ų118.271%0.71168%0.677SS**  trans-161.365.9171.700000112.7S577G575-S577 PolarHBondContact O-N 3.35Å
576Q29.4Very low32.4Very low164 Ų164116.7 Ų116.777%0.76667%0.67SS**  trans-73.971.8175.2-73.8-173.8-23.800111.8F574 N578F574-Q576 HydrophobicContact CZ-CG 4.28Å; Q576-N578 PolarHBondContact O-N 3.21Å
577S34.9Very low33.1Very low85 Ų85114.7 Ų114.759%0.59465%0.654SS**  trans-71.3123.217062.20000110.3G575G575-S577 PolarHBondContact O-N 3.35Å
578N37.6Very low34.2Very low115 Ų115114 Ų11462%0.61564%0.639SS**  trans-66.8147.4-175.9-84.2-46.3000112.6Q576 A580 Q581 R582Q576-N578 PolarHBondContact O-N 3.21Å; N578-A580 PolarHBondContact O-N 3.44Å; N578-A580 VanDerWaalsContact O-N 3.1Å; N578-Q581 PolarHBondContact O-N 3.08Å; N578-R582 PolarHBondContact O-N 3.35Å
579L38.6Very low34.7Very low151 Ų151112.8 Ų112.879%0.79163%0.626SS**Hα-helixtrans-55.8-33.6-176.6-154.481.5000112.8R582 A583L579-R582 WeakPolarHBondContact O-CB 3.47Å; L579-R582 PolarHBondContact O-N 2.8Å; L579-A583 PolarHBondContact O-N 2.9Å; L579-A583 VanDerWaalsContact O-N 3.09Å
580A38.7Very low35.6Very low71 Ų71114.4 Ų114.459%0.58762%0.624SS**Hα-helixtrans-60.9-42175.300000113N578 R582 A583 T584N578-A580 PolarHBondContact O-N 3.44Å; N578-A580 VanDerWaalsContact O-N 3.1Å; A580-R582 VanDerWaalsContact C-N 3.29Å; A580-R582 PolarHBondContact O-N 2.94Å; A580-A583 WeakPolarHBondContact O-CB 3.21Å; A580-A583 PolarHBondContact O-N 3.22Å; A580-A583 VanDerWaalsContact O-N 3.12Å; A580-T584 PolarHBondContact O-N 3.15Å; A580-T584 PolarHBondContact O-OG1 3.1Å
581Q41Very low36.5Very low108 Ų108113.1 Ų113.151%0.50562%0.617SS.*Hα-helixtrans-66.6-33.4176.4-71.4173.1-56.200111.6N578 A583 T584 N585N578-Q581 PolarHBondContact O-N 3.08Å; Q581-A583 VanDerWaalsContact C-N 3.29Å; Q581-A583 PolarHBondContact O-N 3.13Å; Q581-T584 WeakPolarHBondContact CA-OG1 3.31Å; Q581-T584 PolarHBondContact O-N 2.79Å; Q581-T584 PolarHBondContact O-OG1 3.25Å; Q581-N585 WeakPolarHBondContact O-CB 3.36Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-OD1 2.94Å; Q581-N585 VanDerWaalsContact O-OD1 3.04Å
582R37.9Very low37.4Very low192 Ų192116 Ų11673%0.72562%0.615SS**Hα-helixtrans-67.4-31.8173.5-165.4169.1-178.2143.6-0.1112N578 L579 A580 A586N578-R582 PolarHBondContact O-N 3.35Å; L579-R582 WeakPolarHBondContact O-CB 3.47Å; L579-R582 PolarHBondContact O-N 2.8Å; A580-R582 VanDerWaalsContact C-N 3.29Å; A580-R582 PolarHBondContact O-N 2.94Å; R582-A586 VanDerWaalsContact O-CB 3.3Å; R582-A586 WeakPolarHBondContact O-CB 3.42Å; R582-A586 PolarHBondContact O-N 2.92Å; R582-A586 VanDerWaalsContact O-N 3.16Å
583A40Very low37.6Very low55 Ų55114.3 Ų114.346%0.45561%0.608SS.*Hα-helixtrans-73.7-41.2173.400000112.8L579 A580 Q581 F587L579-A583 PolarHBondContact O-N 2.9Å; L579-A583 VanDerWaalsContact O-N 3.09Å; A580-A583 WeakPolarHBondContact O-CB 3.21Å; A580-A583 PolarHBondContact O-N 3.22Å; A580-A583 VanDerWaalsContact O-N 3.12Å; Q581-A583 VanDerWaalsContact C-N 3.29Å; Q581-A583 PolarHBondContact O-N 3.13Å; A583-F587 PolarHBondContact O-N 2.77Å; A583-F587 VanDerWaalsContact O-N 3.07Å
584T43.5Very low37.8Very low83 Ų83119.2 Ų119.251%0.50961%0.612SS.*Hα-helixtrans-65.4-42.2176.353.60000112.1A580 Q581 F587 S588A580-T584 PolarHBondContact O-N 3.15Å; A580-T584 PolarHBondContact O-OG1 3.1Å; Q581-T584 WeakPolarHBondContact CA-OG1 3.31Å; Q581-T584 PolarHBondContact O-N 2.79Å; Q581-T584 PolarHBondContact O-OG1 3.25Å; T584-F587 WeakPolarHBondContact O-CA 3.31Å; T584-F587 WeakPolarHBondContact O-CB 3.39Å; T584-F587 PolarHBondContact O-N 3.41Å; T584-S588 PolarHBondContact O-N 3.26Å
585N42.4Very low38.2Very low94 Ų94119.9 Ų119.950%0.50361%0.614SS.*Hα-helixtrans-70.1-37.1-179.6-63.815.9000111.1Q581 F587 S588 D589Q581-N585 WeakPolarHBondContact O-CB 3.36Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-OD1 2.94Å; Q581-N585 VanDerWaalsContact O-OD1 3.04Å; N585-F587 PolarHBondContact O-N 3.34Å; N585-S588 WeakPolarHBondContact CA-OG 3.29Å; N585-S588 PolarHBondContact O-N 3.34Å; N585-S588 PolarHBondContact O-OG 2.9Å; N585-D589 WeakPolarHBondContact O-CB 3.47Å; N585-D589 VanDerWaalsContact O-CG 3.24Å; N585-D589 PolarHBondContact O-N 3.44Å
586A45.7Very low38.4Very low58 Ų58124.5 Ų124.548%0.47962%0.617SS.*Hα-helixtrans-61.3-31.9169.500000112.4R582 F590R582-A586 VanDerWaalsContact O-CB 3.3Å; R582-A586 WeakPolarHBondContact O-CB 3.42Å; R582-A586 PolarHBondContact O-N 2.92Å; R582-A586 VanDerWaalsContact O-N 3.16Å; A586-F590 WeakPolarHBondContact O-CB 3.32Å; A586-F590 PolarHBondContact O-N 3.14Å
587F38.4Very low38.5Very low109 Ų109123.8 Ų123.848%0.47862%0.619SS.*Hα-helixtrans-72.6-41.1175-109.5-89.8000113.1L406 A583 T584 N585 F591L406-F587 HydrophobicContact CD1-CE2 4Å; L406-F587 HydrophobicContact CD1-CZ 3.99Å; L406-F587 HydrophobicContact CG-CZ 4.13Å; A583-F587 PolarHBondContact O-N 2.77Å; A583-F587 VanDerWaalsContact O-N 3.07Å; T584-F587 WeakPolarHBondContact O-CA 3.31Å; T584-F587 WeakPolarHBondContact O-CB 3.39Å; T584-F587 PolarHBondContact O-N 3.41Å; N585-F587 PolarHBondContact O-N 3.34Å; F587-F591 HydrophobicContact CD1-CD2 4.39Å; F587-F591 HydrophobicContact CD1-CE2 4.23Å; F587-F591 HydrophobicContact CE1-CE2 4.42Å; F587-F591 WeakPolarHBondContact O-CD2 3.38Å; F587-F591 PolarHBondContact O-N 3.12Å
588S43.7Very low38.2Very low54 Ų54130 Ų13038%0.37864%0.635SS.*Hα-helixtrans-63.5-46.5174.353.70000111.4T584 N585 F590 F591 L592T584-S588 PolarHBondContact O-N 3.26Å; N585-S588 WeakPolarHBondContact CA-OG 3.29Å; N585-S588 PolarHBondContact O-N 3.34Å; N585-S588 PolarHBondContact O-OG 2.9Å; S588-F590 VanDerWaalsContact C-N 3.35Å; S588-F590 PolarHBondContact O-N 3.05Å; S588-F591 PolarHBondContact O-N 3.4Å; S588-L592 WeakPolarHBondContact O-CG 3.48Å; S588-L592 PolarHBondContact O-N 3.25Å
589D41.4Very low37.9Very low90 Ų90133.1 Ų133.148%0.48165%0.646SS.*Hα-helixtrans-66.7-37.5-177.6-67.13.2000111.6N585 F591 L592 R593N585-D589 WeakPolarHBondContact O-CB 3.47Å; N585-D589 VanDerWaalsContact O-CG 3.24Å; N585-D589 PolarHBondContact O-N 3.44Å; D589-F591 VanDerWaalsContact C-N 3.33Å; D589-F591 PolarHBondContact O-N 3.37Å; D589-L592 PolarHBondContact O-N 2.96Å; D589-R593 VanDerWaalsContact O-CB 3.29Å; D589-R593 WeakPolarHBondContact O-CB 3.33Å; D589-R593 WeakPolarHBondContact O-CG 3.21Å; D589-R593 PolarHBondContact O-N 2.9Å
590F38.1Very low37.2Very low139 Ų139135.3 Ų135.361%0.6165%0.652SS**Hα-helixtrans-67.1-30.8175.6-175-96.9000113.1A586 S588A586-F590 WeakPolarHBondContact O-CB 3.32Å; A586-F590 PolarHBondContact O-N 3.14Å; S588-F590 VanDerWaalsContact C-N 3.35Å; S588-F590 PolarHBondContact O-N 3.05Å
591F43.5Very low36.9Very low152 Ų152137.2 Ų137.267%0.66766%0.658SS**Hα-helixtrans-77.6-41.3173.6-96.9-91.9000112.6F587 S588 D589 R594F587-F591 HydrophobicContact CD1-CD2 4.39Å; F587-F591 HydrophobicContact CD1-CE2 4.23Å; F587-F591 HydrophobicContact CE1-CE2 4.42Å; F587-F591 WeakPolarHBondContact O-CD2 3.38Å; F587-F591 PolarHBondContact O-N 3.12Å; S588-F591 PolarHBondContact O-N 3.4Å; D589-F591 VanDerWaalsContact C-N 3.33Å; D589-F591 PolarHBondContact O-N 3.37Å; F591-R594 PolarHBondContact O-N 2.83Å
592L40.8Very low36.4Very low127 Ų127138.4 Ų138.467%0.66568%0.679SS**Hα-helixtrans-66.8-43.9179.6-70.9170.1000112.2S588 D589 R594 K595S588-L592 WeakPolarHBondContact O-CG 3.48Å; S588-L592 PolarHBondContact O-N 3.25Å; D589-L592 PolarHBondContact O-N 2.96Å; L592-R594 PolarHBondContact O-N 2.71Å; L592-K595 PolarHBondContact O-N 3.04Å; L592-K595 VanDerWaalsContact O-N 3.11Å
593R32.3Very low36.2Very low195 Ų195133.8 Ų133.874%0.73668%0.676SS**THydrogen-bonded Turntrans-60.8-4.1178-80.4178.4167.8-101.9-0.7115.5D589D589-R593 VanDerWaalsContact O-CB 3.29Å; D589-R593 WeakPolarHBondContact O-CB 3.33Å; D589-R593 WeakPolarHBondContact O-CG 3.21Å; D589-R593 PolarHBondContact O-N 2.9Å
594R32.4Very low35.9Very low214 Ų214140.9 Ų140.981%0.80870%0.697SS**THydrogen-bonded Turntrans-95.2-0.3176.4-141.6-177.6-158.3157.19.4114.4F591 L592F591-R594 PolarHBondContact O-N 2.83Å; L592-R594 PolarHBondContact O-N 2.71Å
595K33.8Very low35.5Very low192 Ų192142.5 Ų142.584%0.83571%0.709SS**THydrogen-bonded Turntrans-100.9-25.8-179.7-118.5-177.6177.6-1750113.9L592L592-K595 PolarHBondContact O-N 3.04Å; L592-K595 VanDerWaalsContact O-N 3.11Å
596E32.9Very low35.1Very low166 Ų166147.7 Ų147.778%0.77673%0.727SS**SBendtrans-132.391.6-175.4-68.8177.4176.500109.7
597D29.9Very low34.4Very low150 Ų150153.4 Ų153.480%0.80274%0.743SS**  trans-171.6103.9151.2-98-28000106.3
598K30.6Very low34.5Very low216 Ų216153.5 Ų153.594%0.93976%0.755SS**  trans-118.632.4-169.6-128.1-169.2-174-171.50112.8
599E30Very low34.2Very low179 Ų179157.2 Ų157.284%0.83678%0.775SS**  trans-121.5135175.5-63.4-162.3149.900111.1P601E599-P601 WeakPolarHBondContact O-CD 3.19Å
600E25.3Very low34.3Very low198 Ų198158.5 Ų158.593%0.92579%0.786SS**  trans-97.2108.2178-65.6-172.414100111.4
601P30.9Very low34.4Very low110 Ų110159.5 Ų159.571%0.71479%0.792SS**  trans-90.4112.8155.131.1-29.6000109.7E599 S603E599-P601 WeakPolarHBondContact O-CD 3.19Å; P601-S603 PolarHBondContact O-N 3.45Å
602S31.3Very low34.1Very low133 Ų133161.9 Ų161.993%0.9380%0.802SS**  trans-55.199.6178-178.50000112.6
603S34.3Very low34.6Very low96 Ų96159.1 Ų159.167%0.67179%0.793SS**  trans-147.6118.6160.958.60000108.9P601 P605P601-S603 PolarHBondContact O-N 3.45Å; S603-P605 WeakPolarHBondContact O-CD 3.39Å; S603-P605 VanDerWaalsContact O-N 3.16Å
604K32.2Very low35.9Very low204 Ų204157.5 Ų157.589%0.88780%0.798SS**PPolyproline II helixtrans-63.3117.6179.2-68.8177.7179.7176.40108.1K606K604-K606 PolarHBondContact O-N 2.54Å; K604-K606 VanDerWaalsContact O-N 3.17Å
605P36.1Very low37.4Very low117 Ų117150.3 Ų150.376%0.7678%0.775SS**PPolyproline II helixtrans-61.7124.9177.925.1-32.9000108.2S603 Q607S603-P605 WeakPolarHBondContact O-CD 3.39Å; S603-P605 VanDerWaalsContact O-N 3.16Å; P605-Q607 PolarHBondContact O-N 3.3Å
606K33.2Very low39.5Very low203 Ų203143.5 Ų143.588%0.88375%0.752SS**PPolyproline II helixtrans-54.7116.3174.4-69.9-179.1178.6179.40107.4K604K604-K606 PolarHBondContact O-N 2.54Å; K604-K606 VanDerWaalsContact O-N 3.17Å
607Q31.5Very low41.8Very low178 Ų178140.1 Ų140.183%0.83275%0.747SS**PPolyproline II helixtrans-55.7124.9171.3-72179.3-20.100107P605 V609P605-Q607 PolarHBondContact O-N 3.3Å; Q607-V609 PolarHBondContact O-N 3.25Å
608P40.7Very low44.3Very low110 Ų110137.7 Ų137.771%0.71473%0.726SS**PPolyproline II helixtrans-59.8133.5177.425.3-33000107.7V610P608-V610 PolarHBondContact O-N 3.26Å
609V38.1Very low46.8Very low133 Ų133129 Ų12981%0.80669%0.689SS**  trans-64.599.9179.7179.80000107.6Q607 E611Q607-V609 PolarHBondContact O-N 3.25Å; V609-E611 HydrophobicContact CG1-CG 4.21Å; V609-E611 PolarHBondContact O-N 3.08Å
610V41.7Very low49.5Very low117 Ų117123.5 Ų123.571%0.70966%0.663SS**  trans-75.381169.7-175.40000106.5P608 K612P608-V610 PolarHBondContact O-N 3.26Å; V610-K612 PolarHBondContact O-N 3.41Å; V610-K612 VanDerWaalsContact O-N 3.15Å
611E41.1Very low52.3Low160 Ų160117.9 Ų117.975%0.74863%0.634SS**  trans-49.7122.9160.3-72.5-172.2128.800107.4V609 C613V609-E611 HydrophobicContact CG1-CG 4.21Å; V609-E611 PolarHBondContact O-N 3.08Å; E611-C613 PolarHBondContact O-N 2.8Å
612K38Very low55Low201 Ų201113.7 Ų113.787%0.87461%0.605SS**  trans-75.155.6171.7-67.6-179.3179.2176.20109.4V610 L614V610-K612 PolarHBondContact O-N 3.41Å; V610-K612 VanDerWaalsContact O-N 3.15Å; K612-L614 PolarHBondContact O-N 3.4Å; K612-L614 VanDerWaalsContact O-N 3.09Å
613C50.6Low57.7Low69 Ų69107.4 Ų107.447%0.46656%0.561SS.*  trans-58.9112.7173.1-173.30000107.5E611 L615E611-C613 PolarHBondContact O-N 2.8Å; C613-L615 PolarHBondContact O-N 3.11Å
614L58.9Low60.2Low161 Ų161108.1 Ų108.184%0.84355%0.549SS*.PPolyproline II helixtrans-59.7123.5170.6-68.4171.2000107.2K612 S616K612-L614 PolarHBondContact O-N 3.4Å; K612-L614 VanDerWaalsContact O-N 3.09Å; L614-S616 PolarHBondContact O-N 3.09Å
615L63.8Low62.8Low63 Ų6399.1 Ų99.133%0.3351%0.511SS..PPolyproline II helixtrans-62.3127.7-176.6-57.7-173.6000109.4K380 L384 C613K380-L615 HydrophobicContact CB-CD1 4.36Å; K380-L615 HydrophobicContact CD-CD1 4.35Å; L384-L615 HydrophobicContact CD1-CD1 3.98Å; L384-L615 HydrophobicContact CD1-CD2 3.34Å; L384-L615 HydrophobicContact CD1-CG 4.27Å; C613-L615 PolarHBondContact O-N 3.11Å
616S79.3Confident65.3Low50 Ų5093.6 Ų93.635%0.3548%0.475SS..PPolyproline II helixtrans-60.4152173.862.80000110.5L614 R618 E619 Q620L614-S616 PolarHBondContact O-N 3.09Å; S616-R618 PolarHBondContact O-N 2.61Å; S616-E619 WeakPolarHBondContact CB-OE2 3.41Å; S616-E619 PolarHBondContact N-OE2 2.98Å; S616-E619 VanDerWaalsContact N-OE2 3.11Å; S616-E619 PolarHBondContact O-N 3.07Å; S616-E619 VanDerWaalsContact O-N 3.09Å; S616-E619 WeakPolarHBondContact OG-CB 3.19Å; S616-E619 VanDerWaalsContact OG-CG 3.23Å; S616-E619 WeakPolarHBondContact OG-CG 3.25Å; S616-E619 PolarHBondContact OG-N 3.27Å; S616-E619 VanDerWaalsContact OG-N 3.17Å; S616-E619 PolarHBondContact OG-OE2 2.82Å; S616-Q620 WeakPolarHBondContact O-CB 3.31Å; S616-Q620 PolarHBondContact O-N 3.48Å
617S80.2Confident68Low94 Ų9486 Ų8666%0.65744%0.442SS*.Hα-helixtrans-58.8-19.1176.760.70000113R621S617-R621 WeakPolarHBondContact O-CG 3.49Å; S617-R621 PolarHBondContact O-NE 3.32Å
618R82.2Confident70.7Confident99 Ų9983.7 Ų83.737%0.37443%0.426SS..Hα-helixtrans-78.2-55.8170.3-171.6177.1-178.8-159.91112V396 L397 S616 Q620 R621 D622V396-R618 VanDerWaalsContact O-CZ 3.3Å; V396-R618 PolarHBondContact O-NH1 3.36Å; V396-R618 PolarHBondContact O-NH2 3.11Å; L397-R618 PolarHBondContact O-NH2 3.07Å; S616-R618 PolarHBondContact O-N 2.61Å; R618-Q620 PolarHBondContact O-N 3.12Å; R618-R621 CarbonylContact O-C 3.58Å; R618-R621 WeakPolarHBondContact O-CA 3.39Å; R618-R621 WeakPolarHBondContact O-CB 3.37Å; R618-R621 PolarHBondContact O-N 3.14Å; R618-D622 PolarHBondContact O-N 3.07Å
619E84.6Confident73.1Confident34 Ų3479.7 Ų79.716%0.15940%0.398CS..Hα-helixtrans-56.2-37.3177.7-77.6169.2122.700113.1L384 R388 S616 R621 D622 C623L384-E619 HydrophobicContact CD2-CB 3.64Å; L384-E619 HydrophobicContact CD2-CG 3.76Å; R388-E619 IonicContact CZ-OE1 3.51Å; R388-E619 IonicContact NE-OE1 3.5Å; R388-E619 PolarHBondContact NE-OE1 3Å; R388-E619 IonicContact NH2-OE1 2.69Å; R388-E619 PolarHBondContact NH2-OE1 3.12Å; S616-E619 WeakPolarHBondContact CB-OE2 3.41Å; S616-E619 PolarHBondContact N-OE2 2.98Å; S616-E619 VanDerWaalsContact N-OE2 3.11Å; S616-E619 PolarHBondContact O-N 3.07Å; S616-E619 VanDerWaalsContact O-N 3.09Å; S616-E619 WeakPolarHBondContact OG-CB 3.19Å; S616-E619 VanDerWaalsContact OG-CG 3.23Å; S616-E619 WeakPolarHBondContact OG-CG 3.25Å; S616-E619 PolarHBondContact OG-N 3.27Å; S616-E619 VanDerWaalsContact OG-N 3.17Å; S616-E619 PolarHBondContact OG-OE2 2.82Å; E619-R621 VanDerWaalsContact C-N 3.31Å; E619-R621 PolarHBondContact O-N 3.45Å; E619-D622 PolarHBondContact O-N 2.78Å; E619-C623 PolarHBondContact O-N 3.27Å; E619-C623 PolarHBondContact O-SG 3.26Å
620Q85.2Confident75.6Confident64 Ų6473.3 Ų73.330%0.29936%0.36SS..Hα-helixtrans-62.9-35174.2-174.582.5-68.500112.3S616 R618 R624S616-Q620 WeakPolarHBondContact O-CB 3.31Å; S616-Q620 PolarHBondContact O-N 3.48Å; R618-Q620 PolarHBondContact O-N 3.12Å; Q620-R624 WeakPolarHBondContact O-CG 3.3Å; Q620-R624 PolarHBondContact O-N 3.01Å
621R84.7Confident77.9Confident80 Ų8072.4 Ų72.430%0.30235%0.348SS..Hα-helixtrans-76.5-44.5173.9-75.1179-69.2156.8-4.4111.5S617 R618 E619 C623 R624 I625S617-R621 WeakPolarHBondContact O-CG 3.49Å; S617-R621 PolarHBondContact O-NE 3.32Å; R618-R621 CarbonylContact O-C 3.58Å; R618-R621 WeakPolarHBondContact O-CA 3.39Å; R618-R621 WeakPolarHBondContact O-CB 3.37Å; R618-R621 PolarHBondContact O-N 3.14Å; E619-R621 VanDerWaalsContact C-N 3.31Å; E619-R621 PolarHBondContact O-N 3.45Å; R621-C623 PolarHBondContact O-N 3.27Å; R621-R624 WeakPolarHBondContact O-CB 3.31Å; R621-R624 PolarHBondContact O-N 3.04Å; R621-I625 WeakPolarHBondContact O-CG1 3.18Å; R621-I625 PolarHBondContact O-N 3.08Å
622D86.7Confident80.2Confident22 Ų2266.1 Ų66.112%0.11832%0.322CS..Hα-helixtrans-58.4-38.1178-61.1-24.3000111.6I387 I399 R618 E619 I625 I626I387-D622 HydrophobicContact CD1-CB 4.08Å; I399-D622 HydrophobicContact CD1-CB 3.96Å; I399-D622 HydrophobicContact CG1-CB 4.09Å; R618-D622 PolarHBondContact O-N 3.07Å; E619-D622 PolarHBondContact O-N 2.78Å; D622-I625 PolarHBondContact O-N 3.43Å; D622-I626 PolarHBondContact O-N 3.42Å; D622-I626 VanDerWaalsContact O-N 3.1Å
623C88.7Confident82.9Confident0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-59.3-53.3169.8-68.60000112.5K380 L384 E619 R621 I625 I626 E627K380-C623 HydrophobicContact CG-CB 4.25Å; L384-C623 VanDerWaalsContact CG-SG 3.53Å; E619-C623 PolarHBondContact O-N 3.27Å; E619-C623 PolarHBondContact O-SG 3.26Å; R621-C623 PolarHBondContact O-N 3.27Å; C623-I625 PolarHBondContact O-N 3.03Å; C623-I626 PolarHBondContact O-N 3.39Å; C623-E627 WeakPolarHBondContact O-CB 3.36Å; C623-E627 VanDerWaalsContact O-CG 3.29Å; C623-E627 WeakPolarHBondContact O-CG 3.46Å; C623-E627 PolarHBondContact O-N 2.8Å
624R86.8Confident84.9Confident112 Ų11253.7 Ų53.742%0.42326%0.259SS..Hα-helixtrans-57.1-36179.7-72.2167.3171.1178.3-1.6111.7E507 Q620 R621 R628E507-R624 IonicContact OE1-NH1 3.88Å; Q620-R624 WeakPolarHBondContact O-CG 3.3Å; Q620-R624 PolarHBondContact O-N 3.01Å; R621-R624 WeakPolarHBondContact O-CB 3.31Å; R621-R624 PolarHBondContact O-N 3.04Å; R624-R628 WeakPolarHBondContact O-CG 3.47Å; R624-R628 PolarHBondContact O-N 2.77Å; R624-R628 VanDerWaalsContact O-N 3.12Å
625I87.6Confident86.5Confident15 Ų1547.8 Ų47.88%0.07723%0.234CC..Hα-helixtrans-66.4-53.1177.8-65.9161.6000110.3I399 L497 L500 R621 D622 C623 E627 R628 L629I399-I625 HydrophobicContact CD1-CB 3.78Å; I399-I625 HydrophobicContact CD1-CD1 3.71Å; I399-I625 HydrophobicContact CD1-CG1 4.34Å; I399-I625 HydrophobicContact CD1-CG2 3.66Å; L497-I625 HydrophobicContact CD1-CG2 4.09Å; L500-I625 HydrophobicContact CB-CG1 4.04Å; L500-I625 HydrophobicContact CD1-CB 4.28Å; L500-I625 HydrophobicContact CD1-CG1 3.98Å; L500-I625 HydrophobicContact CD1-CG2 4.25Å; L500-I625 HydrophobicContact CD2-CG1 3.98Å; L500-I625 HydrophobicContact CG-CG1 4.23Å; R621-I625 WeakPolarHBondContact O-CG1 3.18Å; R621-I625 PolarHBondContact O-N 3.08Å; D622-I625 PolarHBondContact O-N 3.43Å; C623-I625 PolarHBondContact O-N 3.03Å; I625-E627 PolarHBondContact O-N 2.91Å; I625-R628 PolarHBondContact O-N 3.04Å; I625-L629 HydrophobicContact CG2-CD1 3.8Å; I625-L629 HydrophobicContact CG2-CG 4.35Å; I625-L629 WeakPolarHBondContact O-CG 3.42Å; I625-L629 PolarHBondContact O-N 3.49Å
626I88.8Confident87.9Confident1 Ų145.8 Ų45.81%0.00522%0.223CC..Hα-helixtrans-62.5-41.7177.5-66.1-171.8000111.6I383 I387 I399 A403 L407 D622 C623 R628 L629 V630I383-I626 HydrophobicContact CG2-CB 3.95Å; I383-I626 HydrophobicContact CG2-CD1 4.01Å; I383-I626 HydrophobicContact CG2-CG1 4.48Å; I383-I626 HydrophobicContact CG2-CG2 3.94Å; I387-I626 HydrophobicContact CD1-CD1 3.77Å; I387-I626 HydrophobicContact CG1-CD1 3.59Å; I399-I626 HydrophobicContact CG2-CD1 3.71Å; I399-I626 HydrophobicContact CG2-CG1 3.89Å; A403-I626 HydrophobicContact CB-CD1 4.07Å; L407-I626 HydrophobicContact CD1-CG2 3.68Å; D622-I626 PolarHBondContact O-N 3.42Å; D622-I626 VanDerWaalsContact O-N 3.1Å; C623-I626 PolarHBondContact O-N 3.39Å; I626-R628 VanDerWaalsContact C-N 3.34Å; I626-R628 PolarHBondContact O-N 3.29Å; I626-L629 PolarHBondContact O-N 3.18Å; I626-V630 HydrophobicContact CG2-CG2 3.81Å; I626-V630 VanDerWaalsContact O-CB 3.32Å; I626-V630 WeakPolarHBondContact O-CB 3.38Å; I626-V630 WeakPolarHBondContact O-CG2 3.44Å; I626-V630 PolarHBondContact O-N 3.48Å
627E89.5Confident88.7Confident44 Ų4443.4 Ų43.421%0.20621%0.207CC..Hα-helixtrans-54.3-48.7176.3-75168.7-170.200111.4T375 K380 I383 C623 I625 Q631T375-E627 HydrophobicContact CG2-CB 4.33Å; K380-E627 WeakPolarHBondContact CG-OE1 3.48Å; I383-E627 HydrophobicContact CD1-CG 3.45Å; I383-E627 VanDerWaalsContact CD1-CG 3.45Å; C623-E627 WeakPolarHBondContact O-CB 3.36Å; C623-E627 VanDerWaalsContact O-CG 3.29Å; C623-E627 WeakPolarHBondContact O-CG 3.46Å; C623-E627 PolarHBondContact O-N 2.8Å; I625-E627 PolarHBondContact O-N 2.91Å; E627-Q631 WeakPolarHBondContact O-CB 3.47Å; E627-Q631 PolarHBondContact O-N 2.91Å
628R88.1Confident89.4Confident129 Ų12941.1 Ų41.149%0.48718%0.184SC..Hα-helixtrans-66.9-45.7177.9-76.4177.1173.8-166.11.5112.9T496 L500 R624 I625 I626 Q631 S632T496-R628 HydrophobicContact CG2-CB 4.33Å; L500-R628 HydrophobicContact CD1-CB 4.28Å; R624-R628 WeakPolarHBondContact O-CG 3.47Å; R624-R628 PolarHBondContact O-N 2.77Å; R624-R628 VanDerWaalsContact O-N 3.12Å; I625-R628 PolarHBondContact O-N 3.04Å; I626-R628 VanDerWaalsContact C-N 3.34Å; I626-R628 PolarHBondContact O-N 3.29Å; R628-Q631 PolarHBondContact O-N 3.31Å; R628-S632 WeakPolarHBondContact O-CB 3.39Å; R628-S632 PolarHBondContact O-N 2.83Å
629L89.7Confident90Very high25 Ų2540.8 Ų40.813%0.13119%0.193CC..Hα-helixtrans-62.2-45.6178.8-68.4173.2000111.3F404 F492 I625 I626 Q631 S632 Y633F404-L629 HydrophobicContact CD2-CB 3.66Å; F404-L629 HydrophobicContact CE2-CB 3.69Å; F492-L629 HydrophobicContact CZ-CD2 3.97Å; I625-L629 HydrophobicContact CG2-CD1 3.8Å; I625-L629 HydrophobicContact CG2-CG 4.35Å; I625-L629 WeakPolarHBondContact O-CG 3.42Å; I625-L629 PolarHBondContact O-N 3.49Å; I626-L629 PolarHBondContact O-N 3.18Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 2.66Å; L629-S632 PolarHBondContact O-N 2.85Å; L629-Y633 PolarHBondContact O-N 2.89Å
630V91.3Very high90.5Very high0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-60.6-43.2176171.70000110.7P374 L378 F404 L407 V408 Q411 I626 F634P374-V630 HydrophobicContact CB-CG1 4.45Å; L378-V630 HydrophobicContact CD1-CG1 4.02Å; F404-V630 HydrophobicContact CD2-CG2 4.04Å; L407-V630 HydrophobicContact CB-CG2 4.06Å; V408-V630 HydrophobicContact CG2-CB 4.17Å; V408-V630 HydrophobicContact CG2-CG1 4.23Å; V408-V630 HydrophobicContact CG2-CG2 3.81Å; Q411-V630 HydrophobicContact CG-CG1 3.85Å; I626-V630 HydrophobicContact CG2-CG2 3.81Å; I626-V630 VanDerWaalsContact O-CB 3.32Å; I626-V630 WeakPolarHBondContact O-CB 3.38Å; I626-V630 WeakPolarHBondContact O-CG2 3.44Å; I626-V630 PolarHBondContact O-N 3.48Å; V630-F634 WeakPolarHBondContact O-CB 3.45Å; V630-F634 PolarHBondContact O-N 3.15Å
631Q91.1Very high91Very high97 Ų9740.4 Ų40.445%0.45319%0.191SC..Hα-helixtrans-67.7-36.2180-173166.6-10.100112.8P374 T375 E627 R628 L629 A635P374-Q631 HydrophobicContact CG-CB 4.26Å; P374-Q631 HydrophobicContact CG-CG 4.08Å; T375-Q631 HydrophobicContact CG2-CB 4.18Å; E627-Q631 WeakPolarHBondContact O-CB 3.47Å; E627-Q631 PolarHBondContact O-N 2.91Å; R628-Q631 PolarHBondContact O-N 3.31Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 2.66Å; Q631-A635 PolarHBondContact O-N 3.04Å
632S89.6Confident91.5Very high29 Ų2938.5 Ų38.520%0.20319%0.186CC..Hα-helixtrans-66.8-57.6174176.50000111.8R628 L629 F634 A635 I636R628-S632 WeakPolarHBondContact O-CB 3.39Å; R628-S632 PolarHBondContact O-N 2.83Å; L629-S632 PolarHBondContact O-N 2.85Å; S632-F634 VanDerWaalsContact C-N 3.28Å; S632-F634 PolarHBondContact O-N 2.91Å; S632-A635 WeakPolarHBondContact O-CB 3.46Å; S632-A635 PolarHBondContact O-N 3.29Å; S632-I636 PolarHBondContact O-N 3.11Å
633Y92.8Very high91.9Very high8 Ų841.1 Ų41.13%0.03120%0.2CC..Hα-helixtrans-60.4-39.2-178.6-164.5-87.7000112F404 V408 I412 I485 N486 F492 L629 A635 I636 V637F404-Y633 HydrophobicContact CZ-CD2 4.44Å; F404-Y633 HydrophobicContact CZ-CG 4.29Å; V408-Y633 HydrophobicContact CG1-CD1 3.49Å; V408-Y633 VanDerWaalsContact CG1-CD1 3.49Å; V408-Y633 HydrophobicContact CG1-CE1 4.07Å; V408-Y633 HydrophobicContact CG1-CG 4.31Å; I412-Y633 HydrophobicContact CD1-CD1 4.37Å; I412-Y633 HydrophobicContact CD1-CE1 4.08Å; I485-Y633 WeakPolarHBondContact CA-OH 3.46Å; I485-Y633 HydrophobicContact CG1-CE1 4.08Å; I485-Y633 HydrophobicContact CG2-CD2 4.31Å; I485-Y633 HydrophobicContact CG2-CE1 4.13Å; I485-Y633 HydrophobicContact CG2-CE2 3.88Å; N486-Y633 PolarHBondContact N-OH 2.91Å; F492-Y633 AromaticContact CD2-CD2 3.85Å; F492-Y633 HydrophobicContact CD2-CD2 3.85Å; F492-Y633 HydrophobicContact CD2-CG 4.43Å; F492-Y633 HydrophobicContact CE2-CD2 4.04Å; F492-Y633 HydrophobicContact CE2-CG 4.37Å; F492-Y633 HydrophobicContact CG-CD2 4.12Å; F492-Y633 HydrophobicContact CZ-CD2 4.43Å; L629-Y633 PolarHBondContact O-N 2.89Å; Y633-A635 VanDerWaalsContact C-N 3.28Å; Y633-A635 PolarHBondContact O-N 3.33Å; Y633-I636 PolarHBondContact O-N 3.11Å; Y633-V637 HydrophobicContact CD1-CG2 3.76Å; Y633-V637 HydrophobicContact CE1-CG2 3.39Å; Y633-V637 WeakPolarHBondContact O-CG2 3.45Å; Y633-V637 PolarHBondContact O-N 3.47Å; Y633-V637 VanDerWaalsContact O-N 3.11Å
634F93.8Very high92.3Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-65.7-28176-173.8-100.1000113.2I372 P374 Q411 I412 L415 V630 S632 R638I372-F634 HydrophobicContact CB-CZ 4.39Å; I372-F634 HydrophobicContact CG2-CE1 4.06Å; I372-F634 HydrophobicContact CG2-CZ 3.64Å; P374-F634 HydrophobicContact CB-CB 4.14Å; P374-F634 HydrophobicContact CB-CD1 3.63Å; P374-F634 HydrophobicContact CB-CE1 4.13Å; P374-F634 HydrophobicContact CB-CG 3.85Å; P374-F634 HydrophobicContact CG-CB 4.34Å; P374-F634 HydrophobicContact CG-CD1 3.65Å; P374-F634 HydrophobicContact CG-CE1 4.29Å; P374-F634 HydrophobicContact CG-CG 4.22Å; Q411-F634 HydrophobicContact CB-CD2 3.52Å; Q411-F634 HydrophobicContact CB-CE2 3.68Å; Q411-F634 HydrophobicContact CB-CG 4.27Å; Q411-F634 WeakPolarHBondContact O-CE2 3.45Å; I412-F634 HydrophobicContact CG1-CD2 4.38Å; L415-F634 HydrophobicContact CD1-CE2 3.93Å; L415-F634 HydrophobicContact CD1-CZ 4.32Å; L415-F634 HydrophobicContact CD2-CE1 4.47Å; L415-F634 HydrophobicContact CD2-CE2 3.91Å; L415-F634 HydrophobicContact CD2-CZ 3.52Å; L415-F634 HydrophobicContact CG-CE2 3.85Å; L415-F634 HydrophobicContact CG-CZ 4.01Å; V630-F634 WeakPolarHBondContact O-CB 3.45Å; V630-F634 PolarHBondContact O-N 3.15Å; S632-F634 VanDerWaalsContact C-N 3.28Å; S632-F634 PolarHBondContact O-N 2.91Å; F634-R638 VanDerWaalsContact O-CB 3.26Å; F634-R638 WeakPolarHBondContact O-CB 3.45Å; F634-R638 PolarHBondContact O-N 3.35Å
635A92.8Very high92.9Very high37 Ų3737.3 Ų37.331%0.30619%0.189SC..Hα-helixtrans-67.2-4417400000111.5Q631 S632 Y633 R638 T639Q631-A635 PolarHBondContact O-N 3.04Å; S632-A635 WeakPolarHBondContact O-CB 3.46Å; S632-A635 PolarHBondContact O-N 3.29Å; Y633-A635 VanDerWaalsContact C-N 3.28Å; Y633-A635 PolarHBondContact O-N 3.33Å; A635-R638 PolarHBondContact O-N 3.02Å; A635-T639 PolarHBondContact O-N 3.34Å; A635-T639 PolarHBondContact O-OG1 2.9Å; A635-T639 VanDerWaalsContact O-OG1 3.11Å
636I93.2Very high93.4Very high21 Ų2137.5 Ų37.511%0.10819%0.191CC..Hα-helixtrans-59.3-52176.4-56.2168.1000110.1H489 D491 F492 S632 Y633 R638 T639 Q640H489-I636 VanDerWaalsContact CE1-CG2 3.49Å; H489-I636 WeakPolarHBondContact CE1-CG2 3.23Å; D491-I636 HydrophobicContact CB-CD1 4.16Å; D491-I636 HydrophobicContact CB-CG1 4.21Å; D491-I636 WeakPolarHBondContact O-CD1 3.34Å; F492-I636 HydrophobicContact CB-CD1 3.56Å; F492-I636 HydrophobicContact CD2-CD1 4.02Å; F492-I636 HydrophobicContact CG-CD1 4.27Å; S632-I636 PolarHBondContact O-N 3.11Å; Y633-I636 PolarHBondContact O-N 3.11Å; I636-R638 VanDerWaalsContact C-N 3.32Å; I636-R638 PolarHBondContact O-N 3.42Å; I636-T639 PolarHBondContact O-N 2.94Å; I636-T639 VanDerWaalsContact O-N 3.16Å; I636-Q640 PolarHBondContact O-N 3.19Å
637V95Very high93.8Very high1 Ų143.2 Ų43.21%0.00622%0.216CC..Hα-helixtrans-63.3-37.4178.8-179.60000111.6I412 L415 Q481 Y633 T639 Q640 V641I412-V637 HydrophobicContact CD1-CG1 4.25Å; I412-V637 HydrophobicContact CD1-CG2 4.01Å; I412-V637 HydrophobicContact CG1-CB 4.47Å; I412-V637 HydrophobicContact CG1-CG1 4.1Å; I412-V637 HydrophobicContact CG1-CG2 4.48Å; I412-V637 HydrophobicContact CG2-CG1 4.21Å; L415-V637 HydrophobicContact CD1-CG1 3.94Å; Q481-V637 HydrophobicContact CB-CG1 4.15Å; Q481-V637 HydrophobicContact CG-CG1 3.96Å; Y633-V637 HydrophobicContact CD1-CG2 3.76Å; Y633-V637 HydrophobicContact CE1-CG2 3.39Å; Y633-V637 WeakPolarHBondContact O-CG2 3.45Å; Y633-V637 PolarHBondContact O-N 3.47Å; Y633-V637 VanDerWaalsContact O-N 3.11Å; V637-T639 PolarHBondContact O-N 3.32Å; V637-Q640 PolarHBondContact O-N 2.87Å; V637-V641 HydrophobicContact CG1-CG2 4.15Å; V637-V641 WeakPolarHBondContact O-CB 3.46Å; V637-V641 VanDerWaalsContact O-CG2 3.28Å; V637-V641 WeakPolarHBondContact O-CG2 3.47Å; V637-V641 PolarHBondContact O-N 2.98Å
638R95.3Very high94.2Very high45 Ų4541.8 Ų41.817%0.1721%0.21CC..Hα-helixtrans-59.6-46.4174-168.8-159.6-73.3108.7-8.6111L369 I372 F634 A635 I636 V641 Q642L369-R638 HydrophobicContact CB-CG 3.87Å; L369-R638 HydrophobicContact CD1-CG 4.48Å; L369-R638 PolarHBondContact O-NE 2.81Å; I372-R638 PolarHBondContact O-NH2 3.09Å; F634-R638 VanDerWaalsContact O-CB 3.26Å; F634-R638 WeakPolarHBondContact O-CB 3.45Å; F634-R638 PolarHBondContact O-N 3.35Å; A635-R638 PolarHBondContact O-N 3.02Å; I636-R638 VanDerWaalsContact C-N 3.32Å; I636-R638 PolarHBondContact O-N 3.42Å; R638-V641 PolarHBondContact O-N 3.32Å; R638-Q642 VanDerWaalsContact O-CB 3.28Å; R638-Q642 WeakPolarHBondContact O-CB 3.15Å; R638-Q642 PolarHBondContact O-N 3.26Å
639T94.5Very high94.7Very high92 Ų9235.6 Ų35.656%0.56419%0.187SC*.Hα-helixtrans-62.5-44.2177.9-57.30000111.5A635 I636 V637 Q642 D643A635-T639 PolarHBondContact O-N 3.34Å; A635-T639 PolarHBondContact O-OG1 2.9Å; A635-T639 VanDerWaalsContact O-OG1 3.11Å; I636-T639 PolarHBondContact O-N 2.94Å; I636-T639 VanDerWaalsContact O-N 3.16Å; V637-T639 PolarHBondContact O-N 3.32Å; T639-Q642 WeakPolarHBondContact O-CB 3.42Å; T639-Q642 PolarHBondContact O-N 3.31Å; T639-D643 PolarHBondContact O-N 3.49Å; T639-D643 VanDerWaalsContact O-N 3.13Å
640Q94.7Very high95Very high87 Ų8737.2 Ų37.241%0.40719%0.194SC..Hα-helixtrans-65.9-40.1178.1-167177.112.500112.3Q481 I636 V637 D643 T644Q481-Q640 VanDerWaalsContact NE2-CD 3.26Å; I636-Q640 PolarHBondContact O-N 3.19Å; V637-Q640 PolarHBondContact O-N 2.87Å; Q640-D643 PolarHBondContact O-N 2.93Å; Q640-T644 HydrophobicContact CG-CG2 4.16Å; Q640-T644 WeakPolarHBondContact O-CB 3.46Å; Q640-T644 WeakPolarHBondContact O-CG2 3.48Å; Q640-T644 PolarHBondContact O-N 2.85Å; Q640-T644 PolarHBondContact O-OG1 2.94Å
641V96.3Very high95.3Very high3 Ų342.9 Ų42.92%0.01822%0.22CC..Hα-helixtrans-64.9-39.4173.4167.30000111.1F365 L369 L415 I478 V637 R638 D643 I645F365-V641 HydrophobicContact CZ-CG1 4.16Å; L369-V641 HydrophobicContact CD2-CG1 4.25Å; L415-V641 HydrophobicContact CB-CG1 4.39Å; L415-V641 HydrophobicContact CD1-CB 4.39Å; L415-V641 HydrophobicContact CD1-CG2 4.02Å; I478-V641 HydrophobicContact CD1-CG1 4.36Å; I478-V641 HydrophobicContact CD1-CG2 3.79Å; V637-V641 HydrophobicContact CG1-CG2 4.15Å; V637-V641 WeakPolarHBondContact O-CB 3.46Å; V637-V641 VanDerWaalsContact O-CG2 3.28Å; V637-V641 WeakPolarHBondContact O-CG2 3.47Å; V637-V641 PolarHBondContact O-N 2.98Å; R638-V641 PolarHBondContact O-N 3.32Å; V641-D643 VanDerWaalsContact C-N 3.27Å; V641-D643 PolarHBondContact O-N 2.7Å; V641-I645 HydrophobicContact CG1-CG1 3.78Å; V641-I645 WeakPolarHBondContact O-CB 3.3Å; V641-I645 VanDerWaalsContact O-CG1 3.25Å; V641-I645 WeakPolarHBondContact O-CG1 3.45Å; V641-I645 PolarHBondContact O-N 3.34Å; V641-I645 VanDerWaalsContact O-N 3.13Å
642Q95.5Very high95.6Very high40 Ų4040.8 Ų40.819%0.18721%0.21CC..Hα-helixtrans-62.4-32177.6-173.4170.3-4.200113L369 R638 T639 P646L369-Q642 HydrophobicContact CD1-CB 3.66Å; L369-Q642 HydrophobicContact CD1-CG 4.04Å; R638-Q642 VanDerWaalsContact O-CB 3.28Å; R638-Q642 WeakPolarHBondContact O-CB 3.15Å; R638-Q642 PolarHBondContact O-N 3.26Å; T639-Q642 WeakPolarHBondContact O-CB 3.42Å; T639-Q642 PolarHBondContact O-N 3.31Å; Q642-P646 WeakPolarHBondContact O-CD 3.3Å; Q642-P646 VanDerWaalsContact O-CG 3.28Å; Q642-P646 WeakPolarHBondContact O-CG 3.22Å
643D95.9Very high96Very high78 Ų7839.4 Ų39.442%0.41720%0.2SC..Hα-helixtrans-85.9-45.8176.6175.582.8000113.2T639 Q640 V641 K647T639-D643 PolarHBondContact O-N 3.49Å; T639-D643 VanDerWaalsContact O-N 3.13Å; Q640-D643 PolarHBondContact O-N 2.93Å; V641-D643 VanDerWaalsContact C-N 3.27Å; V641-D643 PolarHBondContact O-N 2.7Å; D643-K647 WeakPolarHBondContact O-CD 3.34Å; D643-K647 WeakPolarHBondContact O-CG 3.31Å; D643-K647 WeakPolarHBondContact OD1-CE 3.4Å; D643-K647 IonicContact OD1-NZ 2.57Å; D643-K647 PolarHBondContact OD1-NZ 2.87Å; D643-K647 WeakPolarHBondContact OD2-CE 3.2Å; D643-K647 IonicContact OD2-NZ 2.75Å; D643-K647 PolarHBondContact OD2-NZ 2.68Å
644T97Very high96.2Very high32 Ų3239 Ų3920%0.19620%0.199CC..Hα-helixtrans-76.9-32.1-171.353.10000113.9Q640 T648Q640-T644 HydrophobicContact CG-CG2 4.16Å; Q640-T644 WeakPolarHBondContact O-CB 3.46Å; Q640-T644 WeakPolarHBondContact O-CG2 3.48Å; Q640-T644 PolarHBondContact O-N 2.85Å; Q640-T644 PolarHBondContact O-OG1 2.94Å; T644-T648 WeakPolarHBondContact O-CB 3.26Å; T644-T648 PolarHBondContact O-N 3.13Å; T644-T648 PolarHBondContact O-OG1 2.76Å
645I98Very high96.3Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-69-47.6-179.2-61.9-63.2000112.1F365 V474 L477 V641 K647 T648 I649F365-I645 HydrophobicContact CE1-CB 3.88Å; F365-I645 HydrophobicContact CE1-CG2 4.05Å; F365-I645 HydrophobicContact CE2-CG2 4.49Å; F365-I645 HydrophobicContact CZ-CB 3.8Å; F365-I645 HydrophobicContact CZ-CG1 4.12Å; F365-I645 HydrophobicContact CZ-CG2 3.79Å; V474-I645 HydrophobicContact CB-CD1 4.3Å; V474-I645 HydrophobicContact CG1-CD1 3.98Å; V474-I645 HydrophobicContact CG2-CD1 4Å; V474-I645 HydrophobicContact CG2-CG2 4.5Å; L477-I645 HydrophobicContact CB-CD1 4.43Å; L477-I645 HydrophobicContact CD1-CD1 3.99Å; V641-I645 HydrophobicContact CG1-CG1 3.78Å; V641-I645 WeakPolarHBondContact O-CB 3.3Å; V641-I645 VanDerWaalsContact O-CG1 3.25Å; V641-I645 WeakPolarHBondContact O-CG1 3.45Å; V641-I645 PolarHBondContact O-N 3.34Å; V641-I645 VanDerWaalsContact O-N 3.13Å; I645-K647 VanDerWaalsContact C-N 3.34Å; I645-K647 PolarHBondContact O-N 2.87Å; I645-T648 WeakPolarHBondContact O-CB 3.45Å; I645-T648 PolarHBondContact O-N 2.87Å; I645-T648 VanDerWaalsContact O-N 3.12Å; I645-I649 HydrophobicContact CG2-CD1 3.82Å; I645-I649 HydrophobicContact CG2-CG1 4.44Å; I645-I649 WeakPolarHBondContact O-CG1 3.35Å; I645-I649 PolarHBondContact O-N 3.24Å
646P97.9Very high96.5Very high18 Ų1843 Ų4312%0.11721%0.213CC..Hα-helixtrans-56.8-43.4172.6-29.638.6000113.3F361 F365 Q642 T648 I649 M650F361-P646 HydrophobicContact CB-CB 4.13Å; F361-P646 HydrophobicContact CB-CG 4.06Å; F361-P646 HydrophobicContact CD1-CB 3.73Å; F361-P646 HydrophobicContact CD1-CG 3.9Å; F361-P646 HydrophobicContact CD2-CB 3.98Å; F361-P646 HydrophobicContact CE1-CB 4.07Å; F361-P646 HydrophobicContact CE2-CB 4.28Å; F361-P646 HydrophobicContact CG-CB 3.69Å; F361-P646 HydrophobicContact CG-CG 4.02Å; F361-P646 HydrophobicContact CZ-CB 4.33Å; F365-P646 HydrophobicContact CD1-CG 4.22Å; F365-P646 HydrophobicContact CE1-CG 4.3Å; Q642-P646 WeakPolarHBondContact O-CD 3.3Å; Q642-P646 VanDerWaalsContact O-CG 3.28Å; Q642-P646 WeakPolarHBondContact O-CG 3.22Å; P646-T648 VanDerWaalsContact C-N 3.29Å; P646-T648 PolarHBondContact O-N 3.12Å; P646-I649 PolarHBondContact O-N 3.2Å; P646-M650 WeakPolarHBondContact O-CB 3.36Å; P646-M650 WeakPolarHBondContact O-CG 3.49Å; P646-M650 PolarHBondContact O-N 2.7Å
647K98Very high96.6Very high122 Ų12242 Ų4253%0.5321%0.208SC..Hα-helixtrans-60.5-38.7175.8-70172.7-176.5171.40112.2D643 I645 H651D643-K647 WeakPolarHBondContact O-CD 3.34Å; D643-K647 WeakPolarHBondContact O-CG 3.31Å; D643-K647 WeakPolarHBondContact OD1-CE 3.4Å; D643-K647 IonicContact OD1-NZ 2.57Å; D643-K647 PolarHBondContact OD1-NZ 2.87Å; D643-K647 WeakPolarHBondContact OD2-CE 3.2Å; D643-K647 IonicContact OD2-NZ 2.75Å; D643-K647 PolarHBondContact OD2-NZ 2.68Å; I645-K647 VanDerWaalsContact C-N 3.34Å; I645-K647 PolarHBondContact O-N 2.87Å; K647-H651 WeakPolarHBondContact O-CB 3.34Å; K647-H651 PolarHBondContact O-N 3.18Å
648T98Very high96.5Very high13 Ų1344.2 Ų44.28%0.0822%0.217CC..Hα-helixtrans-66.6-46.9176.8-60.20000111.6M473 V474 L477 T644 I645 P646 M650 H651 F652M473-T648 HydrophobicContact CB-CG2 3.96Å; M473-T648 HydrophobicContact CG-CG2 3.47Å; M473-T648 VanDerWaalsContact CG-CG2 3.47Å; V474-T648 HydrophobicContact CG2-CG2 4.33Å; L477-T648 HydrophobicContact CD1-CG2 4.16Å; L477-T648 WeakPolarHBondContact CD1-OG1 3.42Å; T644-T648 WeakPolarHBondContact O-CB 3.26Å; T644-T648 PolarHBondContact O-N 3.13Å; T644-T648 PolarHBondContact O-OG1 2.76Å; I645-T648 WeakPolarHBondContact O-CB 3.45Å; I645-T648 PolarHBondContact O-N 2.87Å; I645-T648 VanDerWaalsContact O-N 3.12Å; P646-T648 VanDerWaalsContact C-N 3.29Å; P646-T648 PolarHBondContact O-N 3.12Å; T648-M650 PolarHBondContact O-N 2.92Å; T648-H651 PolarHBondContact O-N 2.87Å; T648-F652 HydrophobicContact CG2-CD2 3.82Å; T648-F652 HydrophobicContact CG2-CE2 4.3Å; T648-F652 WeakPolarHBondContact O-CD2 3.28Å; T648-F652 PolarHBondContact O-N 3.23Å
649I98Very high96.5Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-63.7-42.7177.4-64.7168000110.5F361 C422 V423 V426 T470 I645 P646 H651 L653 V654F361-I649 HydrophobicContact CE1-CB 4.03Å; F361-I649 HydrophobicContact CE1-CD1 3.94Å; F361-I649 HydrophobicContact CE1-CG2 4.02Å; F361-I649 HydrophobicContact CZ-CB 4.03Å; F361-I649 HydrophobicContact CZ-CG2 3.87Å; C422-I649 HydrophobicContact CB-CD1 3.99Å; V423-I649 HydrophobicContact CG2-CD1 3.93Å; V423-I649 HydrophobicContact CG2-CG1 3.99Å; V426-I649 HydrophobicContact CB-CG2 3.94Å; V426-I649 HydrophobicContact CG1-CG2 3.81Å; V426-I649 HydrophobicContact CG2-CG2 4.06Å; T470-I649 HydrophobicContact CG2-CG1 4.15Å; I645-I649 HydrophobicContact CG2-CD1 3.82Å; I645-I649 HydrophobicContact CG2-CG1 4.44Å; I645-I649 WeakPolarHBondContact O-CG1 3.35Å; I645-I649 PolarHBondContact O-N 3.24Å; P646-I649 PolarHBondContact O-N 3.2Å; I649-H651 VanDerWaalsContact C-N 3.35Å; I649-H651 PolarHBondContact O-N 2.89Å; I649-L653 HydrophobicContact CG2-CB 4.46Å; I649-L653 HydrophobicContact CG2-CD2 4.34Å; I649-L653 WeakPolarHBondContact O-CA 3.46Å; I649-L653 WeakPolarHBondContact O-CB 3.2Å; I649-L653 PolarHBondContact O-N 3.28Å; I649-V654 HydrophobicContact CG2-CG2 4.4Å; I649-V654 PolarHBondContact O-N 3.33Å; I649-V654 VanDerWaalsContact O-N 3.09Å
650M97.3Very high96.5Very high58 Ų5845.5 Ų45.529%0.28622%0.224SC..Iπ-helixtrans-60.1-41.4174.8-75-57.6-55.900112.5I357 F361 P646 T648 V654 N655I357-M650 HydrophobicContact CG2-SD 4.22Å; F361-M650 HydrophobicContact CE2-CG 3.81Å; F361-M650 HydrophobicContact CE2-SD 3.78Å; F361-M650 HydrophobicContact CZ-CG 4.16Å; F361-M650 HydrophobicContact CZ-SD 4.23Å; P646-M650 WeakPolarHBondContact O-CB 3.36Å; P646-M650 WeakPolarHBondContact O-CG 3.49Å; P646-M650 PolarHBondContact O-N 2.7Å; T648-M650 PolarHBondContact O-N 2.92Å; M650-V654 HydrophobicContact CE-CB 3.92Å; M650-V654 HydrophobicContact CE-CG1 3.82Å; M650-V654 HydrophobicContact CE-CG2 4.47Å; M650-V654 HydrophobicContact SD-CB 3.84Å; M650-V654 HydrophobicContact SD-CG1 4.07Å; M650-V654 HydrophobicContact SD-CG2 3.72Å; M650-N655 WeakPolarHBondContact CE-OD1 3.44Å; M650-N655 VanDerWaalsContact O-CB 3.23Å; M650-N655 WeakPolarHBondContact O-CB 3.37Å; M650-N655 PolarHBondContact O-N 3.34Å
651H97.6Very high96.5Very high119 Ų11941.4 Ų41.455%0.55121%0.205SC*.Iπ-helixtrans-75.5-52.4-180-175.168000113.2K647 T648 I649K647-H651 WeakPolarHBondContact O-CB 3.34Å; K647-H651 PolarHBondContact O-N 3.18Å; T648-H651 PolarHBondContact O-N 2.87Å; I649-H651 VanDerWaalsContact C-N 3.35Å; I649-H651 PolarHBondContact O-N 2.89Å
652F97.4Very high96.4Very high53 Ų5345.3 Ų45.323%0.23222%0.223CC..Iπ-helixtrans-82.6-25.7-170.2-75.7-87.1000114.4R466 V469 T470 M473 T648R466-F652 VanDerWaalsContact CZ-O 3.32Å; R466-F652 PolarHBondContact NE-O 2.93Å; R466-F652 PolarHBondContact NH2-O 2.72Å; V469-F652 HydrophobicContact CG1-CD1 3.98Å; T470-F652 HydrophobicContact CG2-CB 4.29Å; M473-F652 HydrophobicContact CB-CD2 4.4Å; M473-F652 HydrophobicContact CB-CE2 4.27Å; M473-F652 HydrophobicContact CB-CZ 4.47Å; M473-F652 HydrophobicContact CE-CE2 4.38Å; M473-F652 HydrophobicContact CG-CD2 4.08Å; M473-F652 HydrophobicContact CG-CE2 3.62Å; M473-F652 HydrophobicContact CG-CZ 4.03Å; M473-F652 HydrophobicContact SD-CE2 4.31Å; M473-F652 HydrophobicContact SD-CZ 4.31Å; T648-F652 HydrophobicContact CG2-CD2 3.82Å; T648-F652 HydrophobicContact CG2-CE2 4.3Å; T648-F652 WeakPolarHBondContact O-CD2 3.28Å; T648-F652 PolarHBondContact O-N 3.23Å
653L97.3Very high96.3Very high0 Ų046.4 Ų46.40%024%0.235CC..Iπ-helixtrans-109.5-69.6177.6-179.362.9000110.9V423 V426 H427 M430 L463 R466 I649 V657V423-L653 HydrophobicContact CG1-CD2 4.38Å; V426-L653 HydrophobicContact CB-CD2 4.49Å; V426-L653 HydrophobicContact CG1-CD2 4.09Å; H427-L653 HydrophobicContact CB-CD2 4.28Å; M430-L653 HydrophobicContact SD-CD2 4.32Å; M430-L653 HydrophobicContact SD-CG 3.93Å; L463-L653 HydrophobicContact CD2-CD1 4.38Å; R466-L653 HydrophobicContact CB-CD1 3.62Å; I649-L653 HydrophobicContact CG2-CB 4.46Å; I649-L653 HydrophobicContact CG2-CD2 4.34Å; I649-L653 WeakPolarHBondContact O-CA 3.46Å; I649-L653 WeakPolarHBondContact O-CB 3.2Å; I649-L653 PolarHBondContact O-N 3.28Å; L653-V657 HydrophobicContact CD1-CG2 4.39Å; L653-V657 WeakPolarHBondContact O-CB 3.1Å; L653-V657 VanDerWaalsContact O-CG2 3.29Å; L653-V657 WeakPolarHBondContact O-CG2 3Å; L653-V657 PolarHBondContact O-N 2.91Å
654V96.7Very high96.2Very high1 Ų145.4 Ų45.41%0.00623%0.228CC..Iπ-helixtrans-64-58.4-164-171.70000112.5V339 I357 V426 M430 I649 M650 V657 K658V339-V654 HydrophobicContact CG1-CG1 3.8Å; I357-V654 HydrophobicContact CD1-CG1 4.32Å; I357-V654 HydrophobicContact CD1-CG2 4.44Å; V426-V654 HydrophobicContact CG1-CG2 3.73Å; M430-V654 HydrophobicContact CE-CG1 4.25Å; M430-V654 HydrophobicContact SD-CB 4.22Å; M430-V654 HydrophobicContact SD-CG1 4.29Å; M430-V654 HydrophobicContact SD-CG2 3.87Å; I649-V654 HydrophobicContact CG2-CG2 4.4Å; I649-V654 PolarHBondContact O-N 3.33Å; I649-V654 VanDerWaalsContact O-N 3.09Å; M650-V654 HydrophobicContact CE-CB 3.92Å; M650-V654 HydrophobicContact CE-CG1 3.82Å; M650-V654 HydrophobicContact CE-CG2 4.47Å; M650-V654 HydrophobicContact SD-CB 3.84Å; M650-V654 HydrophobicContact SD-CG1 4.07Å; M650-V654 HydrophobicContact SD-CG2 3.72Å; V654-V657 PolarHBondContact O-N 2.96Å; V654-K658 WeakPolarHBondContact O-CB 3.26Å; V654-K658 PolarHBondContact O-N 2.82Å
655N96.2Very high96Very high56 Ų5644 Ų4430%0.29922%0.219SC..Iπ-helixtrans-65.9-42.7-179.4-67.3-3.2000111.2M650 V657 K658 D659M650-N655 WeakPolarHBondContact CE-OD1 3.44Å; M650-N655 VanDerWaalsContact O-CB 3.23Å; M650-N655 WeakPolarHBondContact O-CB 3.37Å; M650-N655 PolarHBondContact O-N 3.34Å; N655-V657 VanDerWaalsContact C-N 3.29Å; N655-V657 PolarHBondContact O-N 3.36Å; N655-K658 WeakPolarHBondContact O-CB 3.33Å; N655-K658 PolarHBondContact O-N 2.94Å; N655-K658 VanDerWaalsContact O-N 3.13Å; N655-D659 WeakPolarHBondContact O-CB 3.46Å; N655-D659 PolarHBondContact O-N 3.26Å
656H95.9Very high95.8Very high64 Ų6446.1 Ų46.130%0.29623%0.232SC..Hα-helixtrans-57.4-42.8179-178.279.1000112.4R466 N660R466-H656 WeakPolarHBondContact CD-CD2 3.46Å; R466-H656 VanDerWaalsContact CZ-CG 3.49Å; R466-H656 PolarHBondContact NE-CD2 3.5Å; R466-H656 PolarHBondContact NH1-CD2 3.28Å; R466-H656 PolarHBondContact NH1-CE1 3.44Å; R466-H656 PolarHBondContact NH1-NE2 3.03Å; R466-H656 VanDerWaalsContact NH1-NE2 3.17Å; H656-N660 WeakPolarHBondContact O-CB 3.47Å; H656-N660 PolarHBondContact O-N 3.25Å; H656-N660 PolarHBondContact O-ND2 3.01Å
657V95.5Very high95.6Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-68.2-49173.9174.90000110.3Y335 M430 V462 L463 R466 L653 V654 N655 D659 N660 L661Y335-V657 HydrophobicContact CE1-CG1 4.38Å; M430-V657 HydrophobicContact CE-CB 3.95Å; M430-V657 HydrophobicContact CE-CG1 4Å; V462-V657 HydrophobicContact CG1-CG1 4.42Å; V462-V657 HydrophobicContact CG1-CG2 4.15Å; L463-V657 HydrophobicContact CD2-CG1 4.19Å; L463-V657 HydrophobicContact CD2-CG2 4.1Å; R466-V657 HydrophobicContact CG-CG2 4.11Å; L653-V657 HydrophobicContact CD1-CG2 4.39Å; L653-V657 WeakPolarHBondContact O-CB 3.1Å; L653-V657 VanDerWaalsContact O-CG2 3.29Å; L653-V657 WeakPolarHBondContact O-CG2 3Å; L653-V657 PolarHBondContact O-N 2.91Å; V654-V657 PolarHBondContact O-N 2.96Å; N655-V657 VanDerWaalsContact C-N 3.29Å; N655-V657 PolarHBondContact O-N 3.36Å; V657-D659 VanDerWaalsContact C-N 3.26Å; V657-D659 PolarHBondContact O-N 3.26Å; V657-N660 PolarHBondContact O-N 3.39Å; V657-L661 HydrophobicContact CG1-CD1 4.3Å; V657-L661 WeakPolarHBondContact O-CA 3.2Å; V657-L661 VanDerWaalsContact O-CB 3.3Å; V657-L661 WeakPolarHBondContact O-CB 3.43Å; V657-L661 PolarHBondContact O-N 2.99Å
658K94Very high95.2Very high48 Ų4848.7 Ų48.721%0.20924%0.243CC..Hα-helixtrans-50.9-44.6178.8-164.3-163.777.1160.60112.8V336 V339 E340 V654 N655V336-K658 HydrophobicContact CB-CG 4.29Å; V336-K658 HydrophobicContact CG1-CD 4.13Å; V336-K658 HydrophobicContact CG1-CG 3.95Å; V336-K658 HydrophobicContact CG2-CG 3.78Å; V339-K658 HydrophobicContact CG1-CD 4.13Å; V339-K658 HydrophobicContact CG1-CG 4.4Å; E340-K658 HydrophobicContact CG-CD 4.29Å; E340-K658 IonicContact OE1-NZ 3.55Å; E340-K658 PolarHBondContact OE1-NZ 2.71Å; V654-K658 WeakPolarHBondContact O-CB 3.26Å; V654-K658 PolarHBondContact O-N 2.82Å; N655-K658 WeakPolarHBondContact O-CB 3.33Å; N655-K658 PolarHBondContact O-N 2.94Å; N655-K658 VanDerWaalsContact O-N 3.13Å
659D94.6Very high94.9Very high102 Ų10248.3 Ų48.355%0.54524%0.24SC..Hα-helixtrans-84.6-17.1-172.8-56.5-23000113.1N655 V657N655-D659 WeakPolarHBondContact O-CB 3.46Å; N655-D659 PolarHBondContact O-N 3.26Å; V657-D659 VanDerWaalsContact C-N 3.26Å; V657-D659 PolarHBondContact O-N 3.26Å
660N95.1Very high94.5Very high61 Ų6153.1 Ų53.133%0.32626%0.259SS..Hα-helixtrans-122.32.3-176.3-60.8-90.2000114.4H656 V657 Q662 S663 E664H656-N660 WeakPolarHBondContact O-CB 3.47Å; H656-N660 PolarHBondContact O-N 3.25Å; H656-N660 PolarHBondContact O-ND2 3.01Å; V657-N660 PolarHBondContact O-N 3.39Å; N660-Q662 VanDerWaalsContact C-N 3.35Å; N660-Q662 PolarHBondContact O-N 3.37Å; N660-S663 PolarHBondContact O-N 3.43Å; N660-S663 PolarHBondContact O-OG 3.39Å; N660-E664 PolarHBondContact O-N 2.88Å
661L93.8Very high94.1Very high1 Ų153.8 Ų53.81%0.00526%0.261CS..Hα-helixtrans-57.1-47.1-177.5-172.663000112.1F331 Y335 V459 V657 L665F331-L661 HydrophobicContact CE1-CD2 4.24Å; Y335-L661 HydrophobicContact CD1-CD2 3.47Å; Y335-L661 VanDerWaalsContact CD1-CD2 3.47Å; Y335-L661 HydrophobicContact CE1-CD2 4.2Å; Y335-L661 HydrophobicContact CG-CD2 3.66Å; V459-L661 HydrophobicContact CB-CD1 4.43Å; V459-L661 HydrophobicContact CG1-CD1 4.01Å; V459-L661 HydrophobicContact CG2-CD1 3.82Å; V657-L661 HydrophobicContact CG1-CD1 4.3Å; V657-L661 WeakPolarHBondContact O-CA 3.2Å; V657-L661 VanDerWaalsContact O-CB 3.3Å; V657-L661 WeakPolarHBondContact O-CB 3.43Å; V657-L661 PolarHBondContact O-N 2.99Å; L661-L665 HydrophobicContact CD1-CD1 4.27Å; L661-L665 HydrophobicContact CD1-CG 4.48Å; L661-L665 HydrophobicContact CG-CD1 3.97Å; L661-L665 WeakPolarHBondContact O-CB 3.45Å; L661-L665 VanDerWaalsContact O-CG 3.25Å; L661-L665 WeakPolarHBondContact O-CG 3.26Å; L661-L665 PolarHBondContact O-N 3.37Å
662Q93.8Very high93.3Very high86 Ų8652.9 Ų52.940%0.40227%0.265SS..Hα-helixtrans-66.6-39.5-177.7-167.7-178.32.300112I328 T329 N660 V666I328-Q662 HydrophobicContact CG2-CG 4.23Å; T329-Q662 PolarHBondContact OG1-NE2 3.35Å; N660-Q662 VanDerWaalsContact C-N 3.35Å; N660-Q662 PolarHBondContact O-N 3.37Å; Q662-V666 WeakPolarHBondContact O-CB 3.23Å; Q662-V666 VanDerWaalsContact O-CG2 3.29Å; Q662-V666 WeakPolarHBondContact O-CG2 3.43Å; Q662-V666 PolarHBondContact O-N 3.04Å
663S94.4Very high92.8Very high63 Ų6356.9 Ų56.944%0.44129%0.285SS..Hα-helixtrans-71.2-39.7179.946.20000112N660 K667N660-S663 PolarHBondContact O-N 3.43Å; N660-S663 PolarHBondContact O-OG 3.39Å; S663-K667 WeakPolarHBondContact O-CB 3.42Å; S663-K667 PolarHBondContact O-N 3.49Å
664E93.7Very high92.3Very high56 Ų5659 Ų5926%0.26230%0.296SS..Hα-helixtrans-70.2-36173.9-74.6-62.3148.500113V462 N660 K667 Q668V462-E664 HydrophobicContact CG2-CB 3.69Å; V462-E664 HydrophobicContact CG2-CG 4.1Å; N660-E664 PolarHBondContact O-N 2.88Å; E664-K667 PolarHBondContact O-N 3.18Å; E664-K667 IonicContact OE1-NZ 3.72Å; E664-K667 PolarHBondContact OE1-NZ 2.87Å; E664-K667 IonicContact OE2-NZ 3.92Å; E664-K667 PolarHBondContact OE2-NZ 3.07Å; E664-Q668 WeakPolarHBondContact O-CG 3.39Å; E664-Q668 PolarHBondContact O-N 3.35Å; E664-Q668 VanDerWaalsContact O-N 3.09Å; E664-Q668 PolarHBondContact O-NE2 3.4Å
665L93.5Very high91.7Very high3 Ų359.7 Ų59.72%0.01630%0.299CS..Hα-helixtrans-64.8-46.2172.7-76.4173.2000112I328 F331 I455 A458 V459 L661 K667 Q668 L669I328-L665 HydrophobicContact CG2-CB 3.67Å; I328-L665 HydrophobicContact CG2-CD1 4.21Å; F331-L665 HydrophobicContact CD1-CD1 3.72Å; F331-L665 HydrophobicContact CE1-CD1 3.96Å; I455-L665 HydrophobicContact CG1-CD2 4.48Å; I455-L665 HydrophobicContact CG2-CD2 4.28Å; A458-L665 HydrophobicContact CB-CD2 3.71Å; V459-L665 HydrophobicContact CG2-CD1 4.45Å; V459-L665 HydrophobicContact CG2-CD2 4.02Å; L661-L665 HydrophobicContact CD1-CD1 4.27Å; L661-L665 HydrophobicContact CD1-CG 4.48Å; L661-L665 HydrophobicContact CG-CD1 3.97Å; L661-L665 WeakPolarHBondContact O-CB 3.45Å; L661-L665 VanDerWaalsContact O-CG 3.25Å; L661-L665 WeakPolarHBondContact O-CG 3.26Å; L661-L665 PolarHBondContact O-N 3.37Å; L665-K667 VanDerWaalsContact C-N 3.32Å; L665-K667 PolarHBondContact O-N 3.17Å; L665-Q668 PolarHBondContact O-N 2.74Å; L665-L669 HydrophobicContact CB-CD1 4.47Å; L665-L669 HydrophobicContact CD2-CD1 4.02Å; L665-L669 VanDerWaalsContact O-CB 3.3Å; L665-L669 WeakPolarHBondContact O-CB 3.26Å; L665-L669 VanDerWaalsContact O-CG 3.3Å; L665-L669 WeakPolarHBondContact O-CG 3.31Å; L665-L669 PolarHBondContact O-N 2.89Å
666V93.9Very high91.2Very high45 Ų4561.9 Ų61.927%0.27331%0.311SS..Hα-helixtrans-59.6-45.1174.1169.90000110.4L325 I328 Q662 Q668 L669 Y670L325-V666 HydrophobicContact CD2-CG1 4.42Å; L325-V666 HydrophobicContact CD2-CG2 3.84Å; I328-V666 HydrophobicContact CD1-CG2 4.36Å; I328-V666 HydrophobicContact CG2-CG2 4.04Å; Q662-V666 WeakPolarHBondContact O-CB 3.23Å; Q662-V666 VanDerWaalsContact O-CG2 3.29Å; Q662-V666 WeakPolarHBondContact O-CG2 3.43Å; Q662-V666 PolarHBondContact O-N 3.04Å; V666-Q668 VanDerWaalsContact C-N 3.26Å; V666-Q668 PolarHBondContact O-N 3.47Å; V666-L669 PolarHBondContact O-N 3.46Å; V666-Y670 HydrophobicContact CG1-CG 4.33Å; V666-Y670 WeakPolarHBondContact O-CB 3.32Å; V666-Y670 PolarHBondContact O-N 3.11Å
667K92.5Very high90.8Very high129 Ų12962.9 Ų62.956%0.56132%0.318SS*.Hα-helixtrans-63.4-22.7179.9172172.7157.8-114.90114.9S663 E664 L665 H671S663-K667 WeakPolarHBondContact O-CB 3.42Å; S663-K667 PolarHBondContact O-N 3.49Å; E664-K667 PolarHBondContact O-N 3.18Å; E664-K667 IonicContact OE1-NZ 3.72Å; E664-K667 PolarHBondContact OE1-NZ 2.87Å; E664-K667 IonicContact OE2-NZ 3.92Å; E664-K667 PolarHBondContact OE2-NZ 3.07Å; L665-K667 VanDerWaalsContact C-N 3.32Å; L665-K667 PolarHBondContact O-N 3.17Å; K667-H671 PolarHBondContact O-NE2 2.8Å
668Q90.8Very high90.4Very high65 Ų6563 Ų6330%0.30432%0.319SS..Hα-helixtrans-102.8-20.3179.1-69.9177.361.200114.1A458 E664 L665 V666 H671A458-Q668 HydrophobicContact CB-CB 4.38Å; E664-Q668 WeakPolarHBondContact O-CG 3.39Å; E664-Q668 PolarHBondContact O-N 3.35Å; E664-Q668 VanDerWaalsContact O-N 3.09Å; E664-Q668 PolarHBondContact O-NE2 3.4Å; L665-Q668 PolarHBondContact O-N 2.74Å; V666-Q668 VanDerWaalsContact C-N 3.26Å; V666-Q668 PolarHBondContact O-N 3.47Å; Q668-H671 PolarHBondContact O-CD2 3.39Å
669L90.3Very high90Very high5 Ų561.3 Ų61.33%0.02631%0.312CS..Hα-helixtrans-115.6-24.6-172.6-56.2174.5000113.6L324 I328 L451 R454 I455 L665 V666 H671 L678L324-L669 WeakPolarHBondContact CD2-O 3.4Å; I328-L669 HydrophobicContact CD1-CB 4.02Å; I328-L669 HydrophobicContact CD1-CD1 3.99Å; I328-L669 HydrophobicContact CG1-CD1 4.22Å; L451-L669 HydrophobicContact CD1-CD1 4.16Å; R454-L669 HydrophobicContact CB-CD2 3.64Å; I455-L669 HydrophobicContact CG1-CD1 3.62Å; L665-L669 HydrophobicContact CB-CD1 4.47Å; L665-L669 HydrophobicContact CD2-CD1 4.02Å; L665-L669 VanDerWaalsContact O-CB 3.3Å; L665-L669 WeakPolarHBondContact O-CB 3.26Å; L665-L669 VanDerWaalsContact O-CG 3.3Å; L665-L669 WeakPolarHBondContact O-CG 3.31Å; L665-L669 PolarHBondContact O-N 2.89Å; V666-L669 PolarHBondContact O-N 3.46Å; L669-H671 VanDerWaalsContact C-N 3.27Å; L669-H671 PolarHBondContact O-N 3.43Å; L669-L678 HydrophobicContact CB-CD1 4.44Å; L669-L678 WeakPolarHBondContact O-CD1 3.5Å
670Y90.4Very high89.5Confident101 Ų10161.2 Ų61.240%0.39631%0.308SS..  trans-85.166.2-176.6-163.9-95.5000111.7P321 L324 L325 V666P321-Y670 HydrophobicContact CB-CE2 4Å; L324-Y670 HydrophobicContact CD2-CD2 4.15Å; L325-Y670 HydrophobicContact CD1-CD2 4.43Å; L325-Y670 HydrophobicContact CD1-CE2 3.76Å; L325-Y670 HydrophobicContact CD2-CD2 3.83Å; L325-Y670 HydrophobicContact CD2-CE2 4.01Å; L325-Y670 HydrophobicContact CG-CD2 4Å; L325-Y670 HydrophobicContact CG-CE2 3.75Å; V666-Y670 HydrophobicContact CG1-CG 4.33Å; V666-Y670 WeakPolarHBondContact O-CB 3.32Å; V666-Y670 PolarHBondContact O-N 3.11Å
671H88.7Confident88.8Confident72 Ų7259.2 Ų59.233%0.33330%0.297SS..  trans-115.1126173.8-63.5-71.5000109.2K667 Q668 L669 E673 M674 L675K667-H671 PolarHBondContact O-NE2 2.8Å; Q668-H671 PolarHBondContact O-CD2 3.39Å; L669-H671 VanDerWaalsContact C-N 3.27Å; L669-H671 PolarHBondContact O-N 3.43Å; H671-E673 VanDerWaalsContact C-N 3.28Å; H671-E673 PolarHBondContact O-N 2.87Å; H671-M674 HydrophobicContact CB-CB 4.08Å; H671-M674 HydrophobicContact CB-CG 3.83Å; H671-M674 WeakPolarHBondContact O-CB 3.25Å; H671-M674 PolarHBondContact O-N 2.89Å; H671-L675 WeakPolarHBondContact O-CG 3.26Å; H671-L675 PolarHBondContact O-N 3.11Å
672P81.5Confident88.3Confident99 Ų9960.9 Ų60.964%0.64331%0.309SS*.G310 helixtrans-60.7-36.2-17222-30.2000112.8M674 L675P672-M674 VanDerWaalsContact C-N 3.27Å; P672-M674 PolarHBondContact O-N 2.87Å; P672-L675 PolarHBondContact O-N 3.42Å
673E86.9Confident87.7Confident137 Ų13760.8 Ų60.864%0.6431%0.308SS*.G310 helixtrans-65.6-23.217462-84.1-168.700114.2H671H671-E673 VanDerWaalsContact C-N 3.28Å; H671-E673 PolarHBondContact O-N 2.87Å
674M85.9Confident87Confident46 Ų4663.5 Ų63.523%0.22731%0.314CS..G310 helixtrans-91.4-17.4-179.6-66.9-63.3-48.600113.5H671 P672 D676 D677 L678H671-M674 HydrophobicContact CB-CB 4.08Å; H671-M674 HydrophobicContact CB-CG 3.83Å; H671-M674 WeakPolarHBondContact O-CB 3.25Å; H671-M674 PolarHBondContact O-N 2.89Å; P672-M674 VanDerWaalsContact C-N 3.27Å; P672-M674 PolarHBondContact O-N 2.87Å; M674-D676 PolarHBondContact O-N 2.62Å; M674-D677 PolarHBondContact O-N 3.4Å; M674-L678 HydrophobicContact CB-CD1 3.85Å; M674-L678 HydrophobicContact CB-CG 4.26Å; M674-L678 HydrophobicContact CE-CG 4.43Å; M674-L678 WeakPolarHBondContact O-CB 3.24Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.39Å; M674-L678 PolarHBondContact O-N 3.1Å
675L85.2Confident86.4Confident14 Ų1461.9 Ų61.97%0.07331%0.307CS..Hα-helixtrans-59.9-33.7-171.8-63.1-179000113.2K320 P321 L324 H671 P672 L679K320-L675 HydrophobicContact CB-CB 4.35Å; P321-L675 HydrophobicContact CG-CD1 3.73Å; L324-L675 HydrophobicContact CB-CD2 4.48Å; L324-L675 HydrophobicContact CD2-CD2 3.4Å; H671-L675 WeakPolarHBondContact O-CG 3.26Å; H671-L675 PolarHBondContact O-N 3.11Å; P672-L675 PolarHBondContact O-N 3.42Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 PolarHBondContact O-N 2.81Å
676D84.9Confident85.9Confident103 Ų10365.2 Ų65.255%0.55132%0.322SS*.Hα-helixtrans-74.1-38.2-177.1-83.932.7000112.3K320 M674K320-D676 VanDerWaalsContact CD-OD1 3.25Å; K320-D676 WeakPolarHBondContact CD-OD1 3.24Å; K320-D676 IonicContact NZ-OD1 3.22Å; K320-D676 PolarHBondContact NZ-OD1 2.6Å; K320-D676 IonicContact NZ-OD2 3.61Å; K320-D676 PolarHBondContact NZ-OD2 2.9Å; M674-D676 PolarHBondContact O-N 2.62Å
677D87.6Confident85.4Confident84 Ų8469.2 Ų69.245%0.44934%0.336SS..Hα-helixtrans-74.2-45.1173.8-94.5-47.5000112.2K450 M674 L679 E680K450-D677 WeakPolarHBondContact CD-O 3.48Å; K450-D677 IonicContact NZ-OD1 3.12Å; K450-D677 PolarHBondContact NZ-OD1 3.27Å; M674-D677 PolarHBondContact O-N 3.4Å; D677-L679 VanDerWaalsContact C-N 3.35Å; D677-L679 PolarHBondContact O-N 2.91Å; D677-E680 PolarHBondContact O-N 2.88Å
678L87.2Confident85Confident4 Ų467 Ų672%0.02133%0.327CS..Hα-helixtrans-63.5-40.6-176.4-70.5171.7000112.1L451 R454 L669 M674 E680L451-L678 HydrophobicContact CB-CB 4.4Å; L451-L678 WeakPolarHBondContact CB-O 3.44Å; L451-L678 HydrophobicContact CD1-CB 4.47Å; L451-L678 HydrophobicContact CD1-CD2 4.37Å; L451-L678 PolarHBondContact N-O 2.9Å; R454-L678 HydrophobicContact CB-CD2 3.92Å; R454-L678 HydrophobicContact CG-CD2 3.73Å; L669-L678 HydrophobicContact CB-CD1 4.44Å; L669-L678 WeakPolarHBondContact O-CD1 3.5Å; M674-L678 HydrophobicContact CB-CD1 3.85Å; M674-L678 HydrophobicContact CB-CG 4.26Å; M674-L678 HydrophobicContact CE-CG 4.43Å; M674-L678 WeakPolarHBondContact O-CB 3.24Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.39Å; M674-L678 PolarHBondContact O-N 3.1Å; L678-E680 VanDerWaalsContact C-N 3.34Å
679L85.7Confident84.7Confident11 Ų1164.9 Ų64.96%0.05832%0.316CS..THydrogen-bonded Turntrans-95.522.3-177-61.6172.1000113.3V317 K320 T323 L324 F448 L451 L675 D677 E681V317-L679 HydrophobicContact CG1-CD1 4.44Å; K320-L679 HydrophobicContact CB-CD1 3.71Å; K320-L679 HydrophobicContact CG-CD1 3.97Å; K320-L679 VanDerWaalsContact O-CD1 3.29Å; K320-L679 WeakPolarHBondContact O-CD1 3.47Å; T323-L679 HydrophobicContact CG2-CD2 4.32Å; L324-L679 HydrophobicContact CB-CD1 4.33Å; F448-L679 HydrophobicContact CD1-CB 4.27Å; F448-L679 HydrophobicContact CD1-CD2 4.15Å; F448-L679 HydrophobicContact CD2-CD2 4.22Å; F448-L679 HydrophobicContact CE1-CB 4.18Å; F448-L679 HydrophobicContact CE1-CD2 4.17Å; F448-L679 WeakPolarHBondContact CE1-O 3.4Å; F448-L679 HydrophobicContact CE2-CD2 4.23Å; F448-L679 HydrophobicContact CG-CD2 4.17Å; F448-L679 HydrophobicContact CZ-CD2 4.2Å; L451-L679 HydrophobicContact CD2-CD2 3.89Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 PolarHBondContact O-N 2.81Å; D677-L679 VanDerWaalsContact C-N 3.35Å; D677-L679 PolarHBondContact O-N 2.91Å; L679-E681 PolarHBondContact O-N 2.89Å
680E83.1Confident84.5Confident100 Ų10068.2 Ų68.247%0.46733%0.332SS..  trans-64.5115.2169-171.1173.2-154.600110K450 D677 L678K450-E680 HydrophobicContact CD-CB 4.42Å; K450-E680 VanDerWaalsContact CE-OE2 3.29Å; K450-E680 WeakPolarHBondContact CE-OE2 3.41Å; K450-E680 IonicContact NZ-OE2 3.72Å; K450-E680 PolarHBondContact NZ-OE2 2.95Å; D677-E680 PolarHBondContact O-N 2.88Å; L678-E680 VanDerWaalsContact C-N 3.34Å
681E81.7Confident84.2Confident20 Ų2065 Ų659%0.09333%0.329CS..  trans-68.8138.7174.4-69.1-178.3-174.400110.6R447 F448 L679 E683 K686 R689R447-E681 HydrophobicContact CG-CG 4.2Å; R447-E681 IonicContact CZ-OE1 2.68Å; R447-E681 IonicContact NE-OE1 2.63Å; R447-E681 PolarHBondContact NE-OE1 2.95Å; R447-E681 IonicContact NH2-OE1 2.65Å; R447-E681 PolarHBondContact NH2-OE1 3.21Å; R447-E681 WeakPolarHBondContact O-CA 3.3Å; F448-E681 HydrophobicContact CD1-CG 4.39Å; F448-E681 HydrophobicContact CE1-CG 3.79Å; L679-E681 PolarHBondContact O-N 2.89Å; E681-E683 PolarHBondContact O-N 3.17Å; E681-K686 HydrophobicContact CB-CB 4.16Å; E681-R689 IonicContact OE1-CZ 3.16Å; E681-R689 IonicContact OE1-NE 3.1Å; E681-R689 IonicContact OE1-NH2 3.65Å; E681-R689 IonicContact OE2-CZ 2.84Å; E681-R689 VanDerWaalsContact OE2-CZ 3.29Å; E681-R689 IonicContact OE2-NE 2.66Å; E681-R689 PolarHBondContact OE2-NE 3.37Å; E681-R689 IonicContact OE2-NH2 2.67Å; E681-R689 PolarHBondContact OE2-NH2 2.93Å
682S82Confident84.1Confident35 Ų3562.3 Ų62.325%0.24532%0.317CS..  trans-57.3128.717163.90000110.9G446 R447 H684 V685 K686G446-S682 PolarHBondContact O-OG 3.37Å; R447-S682 PolarHBondContact O-N 3.4Å; S682-H684 PolarHBondContact O-N 2.91Å; S682-V685 PolarHBondContact O-N 2.64Å; S682-V685 VanDerWaalsContact OG-CG2 3.3Å; S682-V685 WeakPolarHBondContact OG-CG2 3.32Å; S682-K686 PolarHBondContact O-N 2.98Å
683E81.1Confident84.4Confident85 Ų8561 Ų6140%0.39730%0.303SS..Hα-helixtrans-55.1-29.2-170.6-91.4-77.111800113.8E681 K686 K687E681-E683 PolarHBondContact O-N 3.17Å; E683-K686 IonicContact OE1-NZ 3.65Å; E683-K686 PolarHBondContact OE1-NZ 2.89Å; E683-K687 WeakPolarHBondContact O-CB 3.41Å; E683-K687 WeakPolarHBondContact O-CD 3.29Å; E683-K687 WeakPolarHBondContact O-CG 3.41Å; E683-K687 PolarHBondContact O-N 3.22Å; E683-K687 VanDerWaalsContact O-N 3.07Å; E683-K687 VanDerWaalsContact OE2-CE 3.23Å; E683-K687 WeakPolarHBondContact OE2-CE 3.39Å; E683-K687 IonicContact OE2-NZ 2.72Å; E683-K687 PolarHBondContact OE2-NZ 2.79Å
684H81.1Confident84.4Confident120 Ų12061.1 Ų61.156%0.55630%0.302SS*.Hα-helixtrans-66.8-51.2171.9-177.2-94.9000112.2S682 K686 K687 Q688S682-H684 PolarHBondContact O-N 2.91Å; H684-K686 VanDerWaalsContact C-N 3.32Å; H684-K686 PolarHBondContact O-N 3.38Å; H684-K687 PolarHBondContact O-N 3.01Å; H684-Q688 PolarHBondContact NE2-NE2 3.11Å; H684-Q688 VanDerWaalsContact NE2-NE2 3.2Å; H684-Q688 VanDerWaalsContact O-CG 3.26Å; H684-Q688 WeakPolarHBondContact O-CG 3.26Å; H684-Q688 PolarHBondContact O-N 3.29Å
685V81Confident84.4Confident21 Ų2160.2 Ų60.213%0.12730%0.299CS..Hα-helixtrans-58.6-45.9177.9166.40000110.5Y313 R447 S682 Q688 R689Y313-V685 HydrophobicContact CD1-CB 4.38Å; Y313-V685 HydrophobicContact CD1-CG1 4.04Å; Y313-V685 HydrophobicContact CD1-CG2 4.21Å; R447-V685 HydrophobicContact CG-CG1 4.26Å; S682-V685 PolarHBondContact O-N 2.64Å; S682-V685 VanDerWaalsContact OG-CG2 3.3Å; S682-V685 WeakPolarHBondContact OG-CG2 3.32Å; V685-Q688 PolarHBondContact O-N 3.24Å; V685-R689 WeakPolarHBondContact O-CB 3.17Å; V685-R689 PolarHBondContact O-N 2.69Å
686K82.2Confident84.5Confident74 Ų7460.2 Ų60.232%0.32230%0.299SS..Hα-helixtrans-59-49.9178.3177.8176.4160.4-153.40112.5E681 S682 E683 H684 R689 E690E681-K686 HydrophobicContact CB-CB 4.16Å; S682-K686 PolarHBondContact O-N 2.98Å; E683-K686 IonicContact OE1-NZ 3.65Å; E683-K686 PolarHBondContact OE1-NZ 2.89Å; H684-K686 VanDerWaalsContact C-N 3.32Å; H684-K686 PolarHBondContact O-N 3.38Å; K686-R689 PolarHBondContact O-N 3.1Å; K686-E690 WeakPolarHBondContact CG-OE1 3.48Å; K686-E690 WeakPolarHBondContact O-CB 3.41Å; K686-E690 WeakPolarHBondContact O-CG 3.49Å; K686-E690 PolarHBondContact O-N 2.95Å
687K84.4Confident84.7Confident129 Ų12958.6 Ų58.656%0.56129%0.29SS*.Hα-helixtrans-64.3-41.8178.8-78.5165.9170.7147.10112.9E683 H684 G691E683-K687 WeakPolarHBondContact O-CB 3.41Å; E683-K687 WeakPolarHBondContact O-CD 3.29Å; E683-K687 WeakPolarHBondContact O-CG 3.41Å; E683-K687 PolarHBondContact O-N 3.22Å; E683-K687 VanDerWaalsContact O-N 3.07Å; E683-K687 VanDerWaalsContact OE2-CE 3.23Å; E683-K687 WeakPolarHBondContact OE2-CE 3.39Å; E683-K687 IonicContact OE2-NZ 2.72Å; E683-K687 PolarHBondContact OE2-NZ 2.79Å; H684-K687 PolarHBondContact O-N 3.01Å; K687-G691 PolarHBondContact O-N 3.37Å
688Q83.4Confident84.6Confident82 Ų8255.4 Ų55.438%0.38328%0.275SS..Hα-helixtrans-64.3-45.5175.1-64.7-66-400111.2Y313 H684 V685 E690 G691 I692Y313-Q688 HydrophobicContact CD1-CB 4.48Å; Y313-Q688 HydrophobicContact CE1-CB 3.98Å; Y313-Q688 HydrophobicContact CE1-CG 4.39Å; Y313-Q688 HydrophobicContact CE2-CB 4.11Å; H684-Q688 PolarHBondContact NE2-NE2 3.11Å; H684-Q688 VanDerWaalsContact NE2-NE2 3.2Å; H684-Q688 VanDerWaalsContact O-CG 3.26Å; H684-Q688 WeakPolarHBondContact O-CG 3.26Å; H684-Q688 PolarHBondContact O-N 3.29Å; V685-Q688 PolarHBondContact O-N 3.24Å; Q688-E690 PolarHBondContact O-N 3.1Å; Q688-G691 PolarHBondContact O-N 2.78Å; Q688-I692 WeakPolarHBondContact O-CD1 3.4Å; Q688-I692 VanDerWaalsContact O-CG1 3.3Å; Q688-I692 WeakPolarHBondContact O-CG1 3.45Å; Q688-I692 PolarHBondContact O-N 3.05Å
689R84.7Confident84.7Confident20 Ų2055.3 Ų55.38%0.07527%0.274CS..Hα-helixtrans-59.1-46176.6-174.1-179.255.755.93111.8L310 G314 E681 V685 K686 I692 M693L310-R689 HydrophobicContact CD1-CG 3.79Å; G314-R689 WeakPolarHBondContact O-CD 3.42Å; E681-R689 IonicContact OE1-CZ 3.16Å; E681-R689 IonicContact OE1-NE 3.1Å; E681-R689 IonicContact OE1-NH2 3.65Å; E681-R689 IonicContact OE2-CZ 2.84Å; E681-R689 VanDerWaalsContact OE2-CZ 3.29Å; E681-R689 IonicContact OE2-NE 2.66Å; E681-R689 PolarHBondContact OE2-NE 3.37Å; E681-R689 IonicContact OE2-NH2 2.67Å; E681-R689 PolarHBondContact OE2-NH2 2.93Å; V685-R689 WeakPolarHBondContact O-CB 3.17Å; V685-R689 PolarHBondContact O-N 2.69Å; K686-R689 PolarHBondContact O-N 3.1Å; R689-I692 PolarHBondContact O-N 3.4Å; R689-M693 HydrophobicContact CG-SD 4.12Å; R689-M693 WeakPolarHBondContact O-CB 3.08Å; R689-M693 VanDerWaalsContact O-CG 3.23Å; R689-M693 WeakPolarHBondContact O-CG 3.4Å; R689-M693 PolarHBondContact O-N 2.9Å
690E85.6Confident84.9Confident75 Ų7559 Ų5935%0.3529%0.291SS..Hα-helixtrans-65.4-37.1177-75.1174.9-156.800113K686 Q688 K694K686-E690 WeakPolarHBondContact CG-OE1 3.48Å; K686-E690 WeakPolarHBondContact O-CB 3.41Å; K686-E690 WeakPolarHBondContact O-CG 3.49Å; K686-E690 PolarHBondContact O-N 2.95Å; Q688-E690 PolarHBondContact O-N 3.1Å; E690-K694 WeakPolarHBondContact O-CG 3.23Å; E690-K694 PolarHBondContact O-N 2.87Å; E690-K694 VanDerWaalsContact O-N 3.15Å
691G85.3Confident85.2Confident33 Ų3358.6 Ų58.634%0.3429%0.288SS..Hα-helixtrans-62.2-54.3172.100000111.9K687 Q688 M693 K694 T695K687-G691 PolarHBondContact O-N 3.37Å; Q688-G691 PolarHBondContact O-N 2.78Å; G691-M693 VanDerWaalsContact C-N 3.29Å; G691-M693 PolarHBondContact O-N 3.14Å; G691-K694 PolarHBondContact O-N 3.12Å; G691-K694 VanDerWaalsContact O-N 3.12Å; G691-T695 PolarHBondContact O-N 2.81Å; G691-T695 PolarHBondContact O-OG1 3.14Å
692I86.1Confident85.4Confident16 Ų1657.7 Ų57.78%0.08228%0.283CS..Hα-helixtrans-57.9-40.8178.8-68.1161.1000111.2H306 M309 L310 Y313 Q688 R689 T695 L696H306-I692 HydrophobicContact CB-CG2 4.3Å; H306-I692 WeakPolarHBondContact O-CG2 3.26Å; M309-I692 HydrophobicContact CB-CD1 4.03Å; L310-I692 HydrophobicContact CB-CG2 4.08Å; Y313-I692 HydrophobicContact CD2-CD1 3.53Å; Y313-I692 HydrophobicContact CE2-CD1 3.43Å; Y313-I692 VanDerWaalsContact CE2-CD1 3.43Å; Q688-I692 WeakPolarHBondContact O-CD1 3.4Å; Q688-I692 VanDerWaalsContact O-CG1 3.3Å; Q688-I692 WeakPolarHBondContact O-CG1 3.45Å; Q688-I692 PolarHBondContact O-N 3.05Å; R689-I692 PolarHBondContact O-N 3.4Å; I692-T695 PolarHBondContact O-N 3.41Å; I692-L696 WeakPolarHBondContact O-CB 3.25Å; I692-L696 PolarHBondContact O-N 2.87Å
693M87Confident85.7Confident72 Ų7257 Ų5736%0.35528%0.279SS..Hα-helixtrans-63.8-41.2176.8-76177.867.300112.8L310 P316 R689 G691 L696 D697L310-M693 HydrophobicContact CD1-CG 3.85Å; L310-M693 HydrophobicContact CD1-SD 4.41Å; L310-M693 HydrophobicContact CD2-CG 4.23Å; P316-M693 HydrophobicContact CG-CE 4.32Å; P316-M693 HydrophobicContact CG-SD 4.46Å; R689-M693 HydrophobicContact CG-SD 4.12Å; R689-M693 WeakPolarHBondContact O-CB 3.08Å; R689-M693 VanDerWaalsContact O-CG 3.23Å; R689-M693 WeakPolarHBondContact O-CG 3.4Å; R689-M693 PolarHBondContact O-N 2.9Å; G691-M693 VanDerWaalsContact C-N 3.29Å; G691-M693 PolarHBondContact O-N 3.14Å; M693-L696 PolarHBondContact O-N 2.81Å; M693-D697 WeakPolarHBondContact O-CB 3.43Å; M693-D697 PolarHBondContact O-N 2.78Å
694K86.4Confident86.1Confident139 Ų13959 Ų5960%0.60429%0.288SS*.Hα-helixtrans-65-45.7175.9-72.4167.5-176.9172.50111.6E690 G691 L696 D697 S698E690-K694 WeakPolarHBondContact O-CG 3.23Å; E690-K694 PolarHBondContact O-N 2.87Å; E690-K694 VanDerWaalsContact O-N 3.15Å; G691-K694 PolarHBondContact O-N 3.12Å; G691-K694 VanDerWaalsContact O-N 3.12Å; K694-L696 VanDerWaalsContact C-N 3.33Å; K694-L696 PolarHBondContact O-N 3.35Å; K694-D697 PolarHBondContact O-N 3.47Å; K694-S698 PolarHBondContact O-N 2.76Å; K694-S698 VanDerWaalsContact O-N 3.11Å; K694-S698 PolarHBondContact O-OG 3.45Å
695T85.9Confident86.3Confident27 Ų2754.2 Ų54.217%0.16627%0.267CS..Hα-helixtrans-63.3-39.8176.2-57.20000111.6H306 G691 I692 S698 L699H306-T695 WeakPolarHBondContact NE2-CG2 3.24Å; G691-T695 PolarHBondContact O-N 2.81Å; G691-T695 PolarHBondContact O-OG1 3.14Å; I692-T695 PolarHBondContact O-N 3.41Å; T695-S698 PolarHBondContact O-N 3.34Å; T695-L699 HydrophobicContact CG2-CD1 4.09Å; T695-L699 HydrophobicContact CG2-CG 4.45Å; T695-L699 WeakPolarHBondContact O-CB 3.4Å; T695-L699 VanDerWaalsContact O-CG 3.28Å; T695-L699 WeakPolarHBondContact O-CG 3.12Å; T695-L699 PolarHBondContact O-N 3Å
696L88.1Confident86.4Confident14 Ų1453.4 Ų53.47%0.07326%0.261CS..Hα-helixtrans-66.6-42.9178.3-178.861.8000112.7I303 H306 Q307 L310 I692 M693 K694 L699 Q700I303-L696 HydrophobicContact CB-CD1 4.41Å; I303-L696 HydrophobicContact CG1-CD1 4.42Å; I303-L696 HydrophobicContact CG2-CD1 4.02Å; H306-L696 HydrophobicContact CB-CD1 4.25Å; Q307-L696 HydrophobicContact CG-CD1 3.95Å; Q307-L696 HydrophobicContact CG-CD2 3.96Å; L310-L696 HydrophobicContact CD2-CD2 3.95Å; I692-L696 WeakPolarHBondContact O-CB 3.25Å; I692-L696 PolarHBondContact O-N 2.87Å; M693-L696 PolarHBondContact O-N 2.81Å; K694-L696 VanDerWaalsContact C-N 3.33Å; K694-L696 PolarHBondContact O-N 3.35Å; L696-L699 PolarHBondContact O-N 2.98Å; L696-Q700 HydrophobicContact CD1-CG 4.48Å; L696-Q700 WeakPolarHBondContact O-CB 3.39Å; L696-Q700 VanDerWaalsContact O-CG 3.29Å; L696-Q700 WeakPolarHBondContact O-CG 3.38Å; L696-Q700 PolarHBondContact O-N 3.33Å
697D88.7Confident86.3Confident69 Ų6950.9 Ų50.937%0.36926%0.256SS..Hα-helixtrans-59.7-46.1173.7167.458000111.4M693 K694 Q700 K701M693-D697 WeakPolarHBondContact O-CB 3.43Å; M693-D697 PolarHBondContact O-N 2.78Å; K694-D697 PolarHBondContact O-N 3.47Å; D697-Q700 PolarHBondContact O-N 2.97Å; D697-K701 WeakPolarHBondContact O-CG 3.35Å; D697-K701 PolarHBondContact O-N 3.14Å; D697-K701 WeakPolarHBondContact OD1-CE 3.16Å; D697-K701 IonicContact OD1-NZ 3.58Å; D697-K701 PolarHBondContact OD1-NZ 2.91Å; D697-K701 VanDerWaalsContact OD1-NZ 3.09Å; D697-K701 IonicContact OD2-NZ 2.72Å; D697-K701 PolarHBondContact OD2-NZ 3.39Å
698S86.6Confident86Confident18 Ų1847.8 Ų47.813%0.12624%0.244CC..Hα-helixtrans-63.8-41.1174.4-64.10000113.1V14 A18 K694 T695 Q700 K701 A702V14-S698 WeakPolarHBondContact CG1-O 3.49Å; A18-S698 VanDerWaalsContact CB-CB 3.48Å; K694-S698 PolarHBondContact O-N 2.76Å; K694-S698 VanDerWaalsContact O-N 3.11Å; K694-S698 PolarHBondContact O-OG 3.45Å; T695-S698 PolarHBondContact O-N 3.34Å; S698-Q700 VanDerWaalsContact C-N 3.32Å; S698-Q700 PolarHBondContact O-N 2.94Å; S698-K701 PolarHBondContact O-N 3.43Å; S698-A702 WeakPolarHBondContact O-CB 3.29Å; S698-A702 PolarHBondContact O-N 3Å
699L88.5Confident85.4Confident1 Ų144.1 Ų44.11%0.00523%0.227CC..Hα-helixtrans-64.2-36.5174.4-73.3170.8000112L15 I23 K302 I303 T695 L696 A702 S703L15-L699 HydrophobicContact CD2-CD2 4.19Å; I23-L699 HydrophobicContact CD1-CD2 3.7Å; K302-L699 HydrophobicContact CB-CD1 4.04Å; K302-L699 HydrophobicContact CB-CD2 4.38Å; I303-L699 HydrophobicContact CD1-CB 4.35Å; I303-L699 HydrophobicContact CG1-CB 3.71Å; T695-L699 HydrophobicContact CG2-CD1 4.09Å; T695-L699 HydrophobicContact CG2-CG 4.45Å; T695-L699 WeakPolarHBondContact O-CB 3.4Å; T695-L699 VanDerWaalsContact O-CG 3.28Å; T695-L699 WeakPolarHBondContact O-CG 3.12Å; T695-L699 PolarHBondContact O-N 3Å; L696-L699 PolarHBondContact O-N 2.98Å; L699-A702 PolarHBondContact O-N 3.22Å; L699-S703 WeakPolarHBondContact O-CB 3.5Å; L699-S703 PolarHBondContact O-N 3.2Å
700Q90.3Very high84.3Confident89 Ų8951.2 Ų51.242%0.41625%0.254SS..Hα-helixtrans-65.8-44.1174-75.5175.2-2.400111.6I303 L696 D697 S698 A702 S703 Q704I303-Q700 HydrophobicContact CD1-CG 4.42Å; L696-Q700 HydrophobicContact CD1-CG 4.48Å; L696-Q700 WeakPolarHBondContact O-CB 3.39Å; L696-Q700 VanDerWaalsContact O-CG 3.29Å; L696-Q700 WeakPolarHBondContact O-CG 3.38Å; L696-Q700 PolarHBondContact O-N 3.33Å; D697-Q700 PolarHBondContact O-N 2.97Å; S698-Q700 VanDerWaalsContact C-N 3.32Å; S698-Q700 PolarHBondContact O-N 2.94Å; Q700-A702 PolarHBondContact O-N 2.94Å; Q700-S703 CarbonylContact O-C 3.6Å; Q700-S703 WeakPolarHBondContact O-CB 3.3Å; Q700-S703 PolarHBondContact O-N 2.86Å; Q700-S703 VanDerWaalsContact O-N 3.14Å; Q700-Q704 PolarHBondContact O-N 3.42Å
701K88.8Confident82.9Confident92 Ų9254.5 Ų54.540%0.427%0.269SS..Hα-helixtrans-58.8-44.1172-73.3163.1177.6165.40111.9V14 D697 S698 S703 Q704 I705V14-K701 HydrophobicContact CG1-CB 4.05Å; D697-K701 WeakPolarHBondContact O-CG 3.35Å; D697-K701 PolarHBondContact O-N 3.14Å; D697-K701 WeakPolarHBondContact OD1-CE 3.16Å; D697-K701 IonicContact OD1-NZ 3.58Å; D697-K701 PolarHBondContact OD1-NZ 2.91Å; D697-K701 VanDerWaalsContact OD1-NZ 3.09Å; D697-K701 IonicContact OD2-NZ 2.72Å; D697-K701 PolarHBondContact OD2-NZ 3.39Å; S698-K701 PolarHBondContact O-N 3.43Å; K701-S703 VanDerWaalsContact C-N 3.33Å; K701-S703 PolarHBondContact O-N 3.42Å; K701-Q704 WeakPolarHBondContact O-CB 3.18Å; K701-Q704 PolarHBondContact O-N 3.01Å; K701-Q704 VanDerWaalsContact O-N 3.15Å; K701-I705 WeakPolarHBondContact O-CD1 3.4Å; K701-I705 VanDerWaalsContact O-CG1 3.32Å; K701-I705 WeakPolarHBondContact O-CG1 3.27Å; K701-I705 PolarHBondContact O-N 2.7Å
702A87Confident81.4Confident0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-61.3-40.5174.200000112.1L11 V14 L15 I299 S698 L699 Q700 Q704 I705 I706L11-A702 HydrophobicContact CD2-CB 3.71Å; L11-A702 WeakPolarHBondContact CD2-O 3.23Å; V14-A702 HydrophobicContact CG1-CB 4.22Å; L15-A702 HydrophobicContact CD2-CB 4.38Å; I299-A702 HydrophobicContact CD1-CB 4.21Å; S698-A702 WeakPolarHBondContact O-CB 3.29Å; S698-A702 PolarHBondContact O-N 3Å; L699-A702 PolarHBondContact O-N 3.22Å; Q700-A702 PolarHBondContact O-N 2.94Å; A702-Q704 VanDerWaalsContact C-N 3.33Å; A702-Q704 PolarHBondContact O-N 2.84Å; A702-I705 PolarHBondContact O-N 2.82Å; A702-I706 WeakPolarHBondContact O-CB 3.35Å; A702-I706 WeakPolarHBondContact O-CG1 3.4Å; A702-I706 PolarHBondContact O-N 3.03Å; A702-I706 VanDerWaalsContact O-N 3.07Å
703S88.2Confident79.8Confident22 Ų2262.7 Ų62.715%0.15430%0.296CS..Hα-helixtrans-66.9-30.9174.3-172.70000113.3L699 Q700 K701 G707L699-S703 WeakPolarHBondContact O-CB 3.5Å; L699-S703 PolarHBondContact O-N 3.2Å; Q700-S703 CarbonylContact O-C 3.6Å; Q700-S703 WeakPolarHBondContact O-CB 3.3Å; Q700-S703 PolarHBondContact O-N 2.86Å; Q700-S703 VanDerWaalsContact O-N 3.14Å; K701-S703 VanDerWaalsContact C-N 3.33Å; K701-S703 PolarHBondContact O-N 3.42Å; S703-G707 PolarHBondContact O-N 3.17Å; S703-G707 VanDerWaalsContact O-N 3.12Å
704Q88.3Confident77.6Confident127 Ų12766.6 Ų66.659%0.59332%0.318SS*.Hα-helixtrans-71.2-46.7174.7178.8178.7-21.100111.3Q700 K701 A702 I706 G707 E708Q700-Q704 PolarHBondContact O-N 3.42Å; K701-Q704 WeakPolarHBondContact O-CB 3.18Å; K701-Q704 PolarHBondContact O-N 3.01Å; K701-Q704 VanDerWaalsContact O-N 3.15Å; A702-Q704 VanDerWaalsContact C-N 3.33Å; A702-Q704 PolarHBondContact O-N 2.84Å; Q704-I706 PolarHBondContact O-N 3.21Å; Q704-G707 CarbonylContact O-C 3.58Å; Q704-G707 WeakPolarHBondContact O-CA 3.29Å; Q704-G707 PolarHBondContact O-N 2.93Å; Q704-E708 PolarHBondContact O-N 3.35Å
705I86.1Confident75.2Confident19 Ų1966.6 Ų66.610%0.09734%0.335CS..Hα-helixtrans-58.5-37.1175.6-68.9159.9000111.1V7 K10 L11 V14 K701 A702 G707V7-I705 HydrophobicContact CB-CG2 4.38Å; V7-I705 HydrophobicContact CG1-CG2 3.75Å; V7-I705 HydrophobicContact CG2-CG2 4.31Å; K10-I705 HydrophobicContact CB-CD1 4.2Å; K10-I705 HydrophobicContact CB-CG2 4.22Å; L11-I705 HydrophobicContact CD1-CG2 4.49Å; L11-I705 HydrophobicContact CD2-CB 4.12Å; L11-I705 HydrophobicContact CD2-CG2 3.94Å; L11-I705 HydrophobicContact CG-CG2 3.82Å; V14-I705 HydrophobicContact CG2-CD1 3.96Å; K701-I705 WeakPolarHBondContact O-CD1 3.4Å; K701-I705 VanDerWaalsContact O-CG1 3.32Å; K701-I705 WeakPolarHBondContact O-CG1 3.27Å; K701-I705 PolarHBondContact O-N 2.7Å; A702-I705 PolarHBondContact O-N 2.82Å; I705-G707 VanDerWaalsContact C-N 3.29Å; I705-G707 PolarHBondContact O-N 3.49Å
706I83Confident74.6Confident3 Ų368.6 Ų68.62%0.01534%0.344CS..Hα-helixtrans-72.1-20.7171.2-77.2173.5000113.1L11 L292 L295 R296 I299 A702 Q704L11-I706 HydrophobicContact CD1-CD1 4.07Å; L11-I706 HydrophobicContact CD1-CG1 3.8Å; L11-I706 HydrophobicContact CD2-CD1 4.11Å; L11-I706 HydrophobicContact CD2-CG1 4.01Å; L292-I706 HydrophobicContact CD2-CB 4.38Å; L292-I706 HydrophobicContact CD2-CD1 4.48Å; L292-I706 HydrophobicContact CD2-CG1 4.02Å; L292-I706 HydrophobicContact CD2-CG2 3.82Å; L295-I706 HydrophobicContact CD2-CD1 4.11Å; L295-I706 HydrophobicContact CG-CD1 4.06Å; R296-I706 HydrophobicContact CB-CG2 3.72Å; R296-I706 HydrophobicContact CG-CG2 3.66Å; I299-I706 HydrophobicContact CD1-CD1 3.44Å; I299-I706 VanDerWaalsContact CD1-CD1 3.44Å; A702-I706 WeakPolarHBondContact O-CB 3.35Å; A702-I706 WeakPolarHBondContact O-CG1 3.4Å; A702-I706 PolarHBondContact O-N 3.03Å; A702-I706 VanDerWaalsContact O-N 3.07Å; Q704-I706 PolarHBondContact O-N 3.21Å
707G80.6Confident73.9Confident21 Ų2171.4 Ų71.422%0.21636%0.358CS..Hα-helixtrans-69-49.9170.100000112.1S703 Q704 I705 V709 R710S703-G707 PolarHBondContact O-N 3.17Å; S703-G707 VanDerWaalsContact O-N 3.12Å; Q704-G707 CarbonylContact O-C 3.58Å; Q704-G707 WeakPolarHBondContact O-CA 3.29Å; Q704-G707 PolarHBondContact O-N 2.93Å; I705-G707 VanDerWaalsContact C-N 3.29Å; I705-G707 PolarHBondContact O-N 3.49Å; G707-V709 PolarHBondContact O-N 2.94Å; G707-V709 VanDerWaalsContact O-N 3.15Å; G707-R710 WeakPolarHBondContact O-CB 3.39Å; G707-R710 PolarHBondContact O-N 3.43Å
708E78.3Confident73.1Confident65 Ų6571.6 Ų71.630%0.30436%0.357SS..Hα-helixtrans-52.5-36.6180-66.9164.7-157.700112.3Q704 R710 E711 L712Q704-E708 PolarHBondContact O-N 3.35Å; E708-R710 VanDerWaalsContact C-N 3.27Å; E708-R710 PolarHBondContact O-N 2.66Å; E708-E711 PolarHBondContact O-N 2.68Å; E708-E711 VanDerWaalsContact O-N 3.09Å; E708-L712 PolarHBondContact O-N 2.86Å
709V70Confident72.3Confident4 Ų474.7 Ų74.72%0.02437%0.371CS..Hα-helixtrans-63.4-26.7176.4178.70000114L4 V7 L292 G707 E711 R713L4-V709 HydrophobicContact CD2-CG1 3.44Å; L4-V709 VanDerWaalsContact CD2-CG1 3.44Å; L4-V709 HydrophobicContact CD2-CG2 4.29Å; V7-V709 HydrophobicContact CB-CG2 3.97Å; V7-V709 HydrophobicContact CG1-CG2 3.59Å; V7-V709 HydrophobicContact CG2-CG2 3.67Å; L292-V709 HydrophobicContact CD1-CB 4.28Å; L292-V709 HydrophobicContact CD1-CG1 3.64Å; L292-V709 HydrophobicContact CD1-CG2 4.35Å; G707-V709 PolarHBondContact O-N 2.94Å; G707-V709 VanDerWaalsContact O-N 3.15Å; V709-E711 VanDerWaalsContact C-N 3.35Å; V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.22Å
710R62Low71.3Confident170 Ų17079.3 Ų79.364%0.64239%0.394SS*.Hα-helixtrans-70.1-36.2174-98.7-171.2173.1-166.2-1.7111.4G707 E708 R713 L714G707-R710 WeakPolarHBondContact O-CB 3.39Å; G707-R710 PolarHBondContact O-N 3.43Å; E708-R710 VanDerWaalsContact C-N 3.27Å; E708-R710 PolarHBondContact O-N 2.66Å; R710-R713 PolarHBondContact O-N 2.91Å; R710-L714 WeakPolarHBondContact O-CD1 3.26Å; R710-L714 VanDerWaalsContact O-CG 3.3Å; R710-L714 WeakPolarHBondContact O-CG 3.5Å; R710-L714 PolarHBondContact O-N 3.49Å
711E55.5Low70Confident143 Ų14378.7 Ų78.767%0.66839%0.392SS*.Hα-helixtrans-69.5-44.6177.8-60-179.3174.800109.5E708 V709 R713 L714 S715E708-E711 PolarHBondContact O-N 2.68Å; E708-E711 VanDerWaalsContact O-N 3.09Å; V709-E711 VanDerWaalsContact C-N 3.35Å; E711-R713 PolarHBondContact O-N 3.23Å; E711-L714 PolarHBondContact O-N 3.41Å; E711-S715 PolarHBondContact O-N 2.91Å; E711-S715 PolarHBondContact O-OG 3.13Å
712L54.8Low68.7Low109 Ų10977.7 Ų77.757%0.57139%0.392SS*.THydrogen-bonded Turntrans-65.35.1170.7-63.8171000115.6E708E708-L712 PolarHBondContact O-N 2.86Å
713R51.9Low67.3Low113 Ų11383.7 Ų83.743%0.42642%0.422SS..THydrogen-bonded Turntrans-123.41.1169.4-70.4-173.9-170.2-174.17.9113.1V709 R710 E711V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.22Å; R710-R713 PolarHBondContact O-N 2.91Å; E711-R713 PolarHBondContact O-N 3.23Å
714L40.4Very low65.6Low153 Ų15388.8 Ų88.880%0.80144%0.444SS*.THydrogen-bonded Turntrans-110.7-20.3175.1-72.1167.9000111.6R710 E711R710-L714 WeakPolarHBondContact O-CD1 3.26Å; R710-L714 VanDerWaalsContact O-CG 3.3Å; R710-L714 WeakPolarHBondContact O-CG 3.5Å; R710-L714 PolarHBondContact O-N 3.49Å; E711-L714 PolarHBondContact O-N 3.41Å
715S35.8Very low63.5Low139 Ų13985.4 Ų85.497%0.97243%0.431SS*.  trans-78.80154.263.90000111.5E711E711-S715 PolarHBondContact O-N 2.91Å; E711-S715 PolarHBondContact O-OG 3.13Å

Retrieved 715 of 715 residues in 349.3 ms (Link to these results)

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