A0A077ZEA2_TRITR Loading...

Cell division cycle 5 protein like

AlphaFold DB , UniProt , Accession A0A077ZEA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 770 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
1M37.3Very low65Low242 Ų242108.5 Ų108.5100%1.19256%0.564SS**  0129.40-70.3170.5176.600108.9R3M1-R3 PolarHBondContact O-N 3.4Å
2V39.1Very low67.4Low133 Ų133105.8 Ų105.881%0.80654%0.541SS*.  trans-73.9120.8167.5179.10000106.9V4V2-V4 PolarHBondContact O-N 3.08Å
3R45.2Very low69.5Low229 Ų229102.2 Ų102.286%0.86452%0.524SS*.  trans-66.9101.5171.1-73.7-171-178.9-166.60.8107.6M1 I5M1-R3 PolarHBondContact O-N 3.4Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.45Å
4V50.2Low71.3Confident119 Ų11995.5 Ų95.572%0.72149%0.49SS*.  trans-70.294.31701800000106.9V2 I6V2-V4 PolarHBondContact O-N 3.08Å; V4-I6 VanDerWaalsContact C-N 3.34Å; V4-I6 HydrophobicContact CG1-CG1 4.31Å; V4-I6 PolarHBondContact O-N 2.66Å
5I56.9Low72.9Confident102 Ų10289.7 Ų89.752%0.52346%0.46SS..  trans-72.993.9177-55174.5000107.2R3 K7R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.45Å; I5-K7 HydrophobicContact CG2-CG 3.95Å; I5-K7 PolarHBondContact O-N 3.36Å; I5-K7 VanDerWaalsContact O-N 3.07Å
6I65.5Low74.4Confident139 Ų13984.4 Ų84.471%0.71343%0.433SS*.  trans-66.6104.4169.7-58.3177.1000106.9V4V4-I6 VanDerWaalsContact C-N 3.34Å; V4-I6 HydrophobicContact CG1-CG1 4.31Å; V4-I6 PolarHBondContact O-N 2.66Å
7K72.7Confident75.7Confident118 Ų11884.8 Ų84.851%0.51343%0.432SS..  trans-88.8127.5-177.1-64.7-175.3-176.5-176.90110.9I5 R40 Q45I5-K7 HydrophobicContact CG2-CG 3.95Å; I5-K7 PolarHBondContact O-N 3.36Å; I5-K7 VanDerWaalsContact O-N 3.07Å; K7-R40 CarbonylContact C-O 3.56Å; K7-R40 VanDerWaalsContact CA-O 3.28Å; K7-R40 WeakPolarHBondContact CA-O 3.32Å; K7-Q45 PolarHBondContact O-NE2 3.17Å
8G76Confident76.9Confident10 Ų1080.5 Ų80.510%0.10341%0.411CS..  trans126.7-149.4179.700000113R40G8-R40 PolarHBondContact N-O 2.99Å
9G84.9Confident77.9Confident37 Ų3776.3 Ų76.338%0.38139%0.389SS..  trans83176.6-167.200000112.6
10V91.9Very high78.9Confident64 Ų6476.1 Ų76.139%0.38839%0.386SS..PPolyproline II helixtrans-57.1145.7-176.9-172.80000111.4K41 R139V10-K41 PolarHBondContact O-NZ 3.45Å; V10-K41 VanDerWaalsContact O-NZ 3.12Å; V10-R139 HydrophobicContact CG1-CG 3.85Å
11W94.9Very high79.8Confident1 Ų174 Ų740%0.00438%0.38CS..PPolyproline II helixtrans-79.9130.7174.3-72.585.9000111.2E15 L19 L38 K41 Q45 R49 E134 A138 R139W11-E15 WeakPolarHBondContact CA-OE2 3.32Å; W11-E15 HydrophobicContact CE3-CB 3.98Å; W11-E15 HydrophobicContact CZ3-CB 4.24Å; W11-L19 HydrophobicContact CH2-CD2 3.88Å; W11-L19 HydrophobicContact CZ3-CD2 3.7Å; W11-L38 HydrophobicContact CH2-CD1 4.47Å; W11-L38 HydrophobicContact CZ3-CD1 4.12Å; W11-K41 HydrophobicContact CD2-CD 4.3Å; W11-K41 VanDerWaalsContact CD2-CE 3.44Å; W11-K41 VanDerWaalsContact CE2-CE 3.41Å; W11-K41 HydrophobicContact CE3-CD 4.44Å; W11-K41 HydrophobicContact CE3-CG 4.41Å; W11-K41 HydrophobicContact CH2-CB 3.87Å; W11-K41 HydrophobicContact CH2-CD 3.84Å; W11-K41 HydrophobicContact CH2-CG 3.64Å; W11-K41 HydrophobicContact CZ2-CB 4.36Å; W11-K41 HydrophobicContact CZ2-CD 3.66Å; W11-K41 HydrophobicContact CZ2-CG 4.02Å; W11-K41 HydrophobicContact CZ3-CB 4.44Å; W11-K41 HydrophobicContact CZ3-CD 4.23Å; W11-K41 HydrophobicContact CZ3-CG 3.86Å; W11-Q45 HydrophobicContact CZ2-CB 4.07Å; W11-R49 HydrophobicContact CD2-CB 4.22Å; W11-R49 HydrophobicContact CD2-CG 3.64Å; W11-R49 HydrophobicContact CE3-CG 3.79Å; W11-R49 HydrophobicContact CG-CG 4.26Å; W11-R49 HydrophobicContact CH2-CB 3.83Å; W11-R49 HydrophobicContact CH2-CG 3.96Å; W11-R49 HydrophobicContact CZ2-CB 3.46Å; W11-R49 VanDerWaalsContact CZ2-CB 3.46Å; W11-R49 HydrophobicContact CZ2-CG 3.8Å; W11-R49 HydrophobicContact CZ3-CB 4.34Å; W11-R49 HydrophobicContact CZ3-CG 3.94Å; W11-E134 HydrophobicContact CZ2-CG 4.47Å; W11-A138 CarbonylContact O-C 3.59Å; W11-A138 WeakPolarHBondContact O-CA 3.47Å; W11-R139 PolarHBondContact O-N 3.28Å
12R94.1Very high82.6Confident75 Ų7562.5 Ų62.528%0.28332%0.323SS..BIsolated β-bridgetrans-97155.8172.1-60.7-173.1-178.5179.12.3110.8T14 E15 D16 D146 E149R12-T14 WeakPolarHBondContact CB-OG1 3.46Å; R12-T14 PolarHBondContact O-N 3.35Å; R12-E15 HydrophobicContact CB-CG 4.33Å; R12-E15 PolarHBondContact N-OE2 2.84Å; R12-E15 PolarHBondContact O-N 2.9Å; R12-E15 VanDerWaalsContact O-N 3.09Å; R12-D16 PolarHBondContact O-N 3.08Å; R12-D16 VanDerWaalsContact O-N 3.08Å; R12-D146 IonicContact CZ-OD2 3.98Å; R12-D146 IonicContact NH1-OD1 2.67Å; R12-D146 IonicContact NH1-OD2 3.05Å; R12-D146 PolarHBondContact NH1-OD2 3.17Å; R12-D146 IonicContact NH2-OD2 3.76Å; R12-D146 PolarHBondContact NH2-OD2 2.92Å; R12-E149 WeakPolarHBondContact CD-OE1 3.26Å; R12-E149 IonicContact CZ-OE1 3.55Å; R12-E149 IonicContact NE-OE1 3.97Å; R12-E149 IonicContact NH1-OE1 2.79Å; R12-E149 PolarHBondContact NH1-OE1 3.35Å; R12-E149 IonicContact NH1-OE2 3.3Å; R12-E149 PolarHBondContact NH1-OE2 3.37Å
13N95.3Very high85.4Confident59 Ų5956.7 Ų56.732%0.31629%0.288SS..Hα-helixtrans-57.7-39.3178-169.938.1000111.8E15 D16 E17 R139 D141N13-E15 PolarHBondContact O-N 3.06Å; N13-D16 PolarHBondContact O-N 2.97Å; N13-E17 PolarHBondContact O-N 2.88Å; N13-R139 WeakPolarHBondContact CB-O 3.14Å; N13-R139 PolarHBondContact N-O 2.84Å; N13-D141 PolarHBondContact ND2-OD1 3.48Å
14T94.8Very high87.8Confident9 Ų953.7 Ų53.76%0.05529%0.286CS..Hα-helixtrans-53.9-46.217247.80000112.9R12 V18 D141 M145 E149 L153R12-T14 WeakPolarHBondContact CB-OG1 3.46Å; R12-T14 PolarHBondContact O-N 3.35Å; T14-V18 VanDerWaalsContact O-CG2 3.28Å; T14-V18 WeakPolarHBondContact O-CG2 3.39Å; T14-V18 PolarHBondContact O-N 3.26Å; T14-V18 VanDerWaalsContact O-N 3.16Å; T14-D141 HydrophobicContact CG2-CB 4.12Å; T14-M145 HydrophobicContact CG2-SD 4.22Å; T14-E149 PolarHBondContact OG1-OE1 3.42Å; T14-L153 HydrophobicContact CG2-CD1 4.28Å
15E95.4Very high90Very high9 Ų951.7 Ų51.74%0.04227%0.268CS..Hα-helixtrans-69-41.7178.4-61.5178.7120.500112.2W11 R12 N13 V18 L19 L38 K41 M152W11-E15 WeakPolarHBondContact CA-OE2 3.32Å; W11-E15 HydrophobicContact CE3-CB 3.98Å; W11-E15 HydrophobicContact CZ3-CB 4.24Å; R12-E15 HydrophobicContact CB-CG 4.33Å; R12-E15 PolarHBondContact N-OE2 2.84Å; R12-E15 PolarHBondContact O-N 2.9Å; R12-E15 VanDerWaalsContact O-N 3.09Å; N13-E15 PolarHBondContact O-N 3.06Å; E15-V18 PolarHBondContact O-N 2.98Å; E15-L19 VanDerWaalsContact O-CB 3.25Å; E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 PolarHBondContact O-N 3.42Å; E15-L38 HydrophobicContact CB-CD2 4.09Å; E15-L38 HydrophobicContact CG-CD2 4.34Å; E15-K41 WeakPolarHBondContact OE1-CG 3.26Å; E15-K41 IonicContact OE1-NZ 2.7Å; E15-K41 PolarHBondContact OE1-NZ 3.01Å; E15-K41 WeakPolarHBondContact OE2-CE 3.48Å; E15-K41 IonicContact OE2-NZ 2.89Å; E15-K41 PolarHBondContact OE2-NZ 3.22Å; E15-M152 HydrophobicContact CG-CE 4.12Å; E15-M152 HydrophobicContact CG-SD 4.49Å
16D96.6Very high91.9Very high5 Ų548.5 Ų48.53%0.02725%0.249CC..Hα-helixtrans-66.1-40179.5-89.50.7000111.9R12 N13 L19 K20 R49 L54 A138R12-D16 PolarHBondContact O-N 3.08Å; R12-D16 VanDerWaalsContact O-N 3.08Å; N13-D16 PolarHBondContact O-N 2.97Å; D16-L19 WeakPolarHBondContact O-CB 3.45Å; D16-L19 PolarHBondContact O-N 3.39Å; D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.29Å; D16-R49 IonicContact OD1-CZ 3.58Å; D16-R49 IonicContact OD1-NE 2.71Å; D16-R49 PolarHBondContact OD1-NE 3.1Å; D16-R49 IonicContact OD1-NH2 3.95Å; D16-R49 IonicContact OD2-CZ 2.74Å; D16-R49 IonicContact OD2-NE 3.79Å; D16-R49 PolarHBondContact OD2-NE 3.06Å; D16-R49 IonicContact OD2-NH2 3.02Å; D16-R49 PolarHBondContact OD2-NH2 3.36Å; D16-L54 HydrophobicContact CB-CD1 4.3Å; D16-L54 HydrophobicContact CB-CD2 4.1Å; D16-A138 WeakPolarHBondContact OD2-CB 3.29Å
17E96.6Very high93.3Very high90 Ų9043.3 Ų43.342%0.42123%0.23SC..Hα-helixtrans-68.2-40.1174.8-70.8-53.7136.100112.6N13 L19 K20 A21N13-E17 PolarHBondContact O-N 2.88Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 2.86Å; E17-K20 PolarHBondContact O-N 3.01Å; E17-K20 IonicContact OE1-NZ 2.7Å; E17-K20 PolarHBondContact OE1-NZ 3.24Å; E17-A21 WeakPolarHBondContact O-CB 3.45Å; E17-A21 PolarHBondContact O-N 3.05Å
18V96.3Very high94.4Very high8 Ų842.1 Ų42.15%0.04823%0.225CC..Hα-helixtrans-63.5-38.3172.1170.90000110.8T14 E15 A21 A22 L37 L38 L153 A156T14-V18 VanDerWaalsContact O-CG2 3.28Å; T14-V18 WeakPolarHBondContact O-CG2 3.39Å; T14-V18 PolarHBondContact O-N 3.26Å; T14-V18 VanDerWaalsContact O-N 3.16Å; E15-V18 PolarHBondContact O-N 2.98Å; V18-A21 PolarHBondContact O-N 3.39Å; V18-A22 WeakPolarHBondContact O-CB 3.43Å; V18-A22 PolarHBondContact O-N 2.95Å; V18-L37 HydrophobicContact CG1-CB 4.29Å; V18-L37 HydrophobicContact CG1-CD2 3.83Å; V18-L37 HydrophobicContact CG1-CG 4.11Å; V18-L38 HydrophobicContact CB-CD2 3.89Å; V18-L38 HydrophobicContact CG1-CD2 3.59Å; V18-L38 HydrophobicContact CG1-CG 4.18Å; V18-L153 HydrophobicContact CG2-CD2 3.69Å; V18-A156 HydrophobicContact CG1-CB 3.95Å; V18-A156 HydrophobicContact CG2-CB 4.04Å
19L97Very high95.4Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-64.3-45.7175.6-178.749.5000111.6W11 E15 D16 E17 A22 V23 W31 V34 L38 C46 R49 L54W11-L19 HydrophobicContact CH2-CD2 3.88Å; W11-L19 HydrophobicContact CZ3-CD2 3.7Å; E15-L19 VanDerWaalsContact O-CB 3.25Å; E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 PolarHBondContact O-N 3.42Å; D16-L19 WeakPolarHBondContact O-CB 3.45Å; D16-L19 PolarHBondContact O-N 3.39Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 2.86Å; L19-A22 PolarHBondContact O-N 3.46Å; L19-V23 HydrophobicContact CD1-CG2 4.15Å; L19-V23 WeakPolarHBondContact O-CG2 3.48Å; L19-V23 PolarHBondContact O-N 3.49Å; L19-W31 HydrophobicContact CD1-CZ3 4.43Å; L19-V34 HydrophobicContact CD1-CG1 3.27Å; L19-L38 HydrophobicContact CB-CD1 4.2Å; L19-C46 HydrophobicContact CD1-CB 4.01Å; L19-R49 HydrophobicContact CD2-CB 3.98Å; L19-R49 HydrophobicContact CD2-CG 3.73Å; L19-L54 HydrophobicContact CB-CD1 4.11Å; L19-L54 HydrophobicContact CD2-CD1 3.54Å; L19-L54 HydrophobicContact CG-CD1 3.75Å
20K97.3Very high95.9Very high73 Ų7351.1 Ų51.132%0.31726%0.259SS..Hα-helixtrans-56.5-53.6172.8-70.3170-166.8173.30111.4D16 E17 A22 V23 M24 W50D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.29Å; E17-K20 PolarHBondContact O-N 3.01Å; E17-K20 IonicContact OE1-NZ 2.7Å; E17-K20 PolarHBondContact OE1-NZ 3.24Å; K20-A22 VanDerWaalsContact C-N 3.3Å; K20-A22 PolarHBondContact O-N 2.95Å; K20-V23 PolarHBondContact O-N 2.99Å; K20-M24 WeakPolarHBondContact O-CG 3.36Å; K20-M24 PolarHBondContact O-N 3.38Å; K20-W50 HydrophobicContact CG-CZ3 4.4Å
21A97.2Very high96.2Very high32 Ų3249.3 Ų49.326%0.26425%0.245SC..Hα-helixtrans-62.9-34.7-179.600000112.8E17 V18 K25 L160E17-A21 WeakPolarHBondContact O-CB 3.45Å; E17-A21 PolarHBondContact O-N 3.05Å; V18-A21 PolarHBondContact O-N 3.39Å; A21-K25 PolarHBondContact O-N 2.95Å; A21-K25 VanDerWaalsContact O-N 3.13Å; A21-L160 HydrophobicContact CB-CD1 3.76Å
22A96.9Very high96.3Very high0 Ų053.9 Ų53.90%028%0.277CS..Hα-helixtrans-69.3-39.9174.700000112.5V18 L19 K20 K25 Y26 V34 L37V18-A22 WeakPolarHBondContact O-CB 3.43Å; V18-A22 PolarHBondContact O-N 2.95Å; L19-A22 PolarHBondContact O-N 3.46Å; K20-A22 VanDerWaalsContact C-N 3.3Å; K20-A22 PolarHBondContact O-N 2.95Å; A22-K25 PolarHBondContact O-N 3.4Å; A22-Y26 HydrophobicContact CB-CD2 4.36Å; A22-Y26 WeakPolarHBondContact O-CB 3.47Å; A22-Y26 VanDerWaalsContact O-CD2 3.31Å; A22-Y26 WeakPolarHBondContact O-CD2 3.24Å; A22-Y26 PolarHBondContact O-N 3.29Å; A22-V34 HydrophobicContact CB-CB 4.39Å; A22-V34 HydrophobicContact CB-CG1 3.94Å; A22-V34 HydrophobicContact CB-CG2 4.24Å; A22-L37 HydrophobicContact CB-CD2 3.87Å
23V97.1Very high96.3Very high11 Ų1156.5 Ų56.57%0.06729%0.287CS..Hα-helixtrans-68-37.2174.6172.20000111L19 K20 K25 G27 K28 W31 V34 W50L19-V23 HydrophobicContact CD1-CG2 4.15Å; L19-V23 WeakPolarHBondContact O-CG2 3.48Å; L19-V23 PolarHBondContact O-N 3.49Å; K20-V23 PolarHBondContact O-N 2.99Å; V23-K25 VanDerWaalsContact C-N 3.28Å; V23-K25 PolarHBondContact O-N 2.84Å; V23-G27 VanDerWaalsContact O-CA 3.24Å; V23-G27 WeakPolarHBondContact O-CA 3.42Å; V23-G27 PolarHBondContact O-N 2.96Å; V23-K28 HydrophobicContact CG1-CG 4.04Å; V23-W31 HydrophobicContact CG2-CH2 4.11Å; V23-W31 HydrophobicContact CG2-CZ3 3.92Å; V23-V34 HydrophobicContact CG2-CG2 4.5Å; V23-W50 HydrophobicContact CB-CE3 4.09Å; V23-W50 HydrophobicContact CB-CH2 4.12Å; V23-W50 HydrophobicContact CB-CZ3 3.81Å; V23-W50 HydrophobicContact CG1-CD2 4.28Å; V23-W50 HydrophobicContact CG1-CE3 4.16Å; V23-W50 HydrophobicContact CG1-CH2 3.71Å; V23-W50 HydrophobicContact CG1-CZ2 3.84Å; V23-W50 HydrophobicContact CG1-CZ3 3.88Å; V23-W50 HydrophobicContact CG2-CD2 4.18Å; V23-W50 HydrophobicContact CG2-CE3 3.72Å; V23-W50 HydrophobicContact CG2-CZ3 3.97Å
24M96.3Very high96.4Very high167 Ų16753.7 Ų53.782%0.82327%0.272SS*.Hα-helixtrans-60.1-35.3171.1-68.2171.175.100112.7K20K20-M24 WeakPolarHBondContact O-CG 3.36Å; K20-M24 PolarHBondContact O-N 3.38Å
25K96.3Very high96.4Very high77 Ų7754 Ų5434%0.33528%0.276SS..Hα-helixtrans-85-37.2179.3-176.1172-178.1169.50114.6A21 A22 V23 R159 L160 N162A21-K25 PolarHBondContact O-N 2.95Å; A21-K25 VanDerWaalsContact O-N 3.13Å; A22-K25 PolarHBondContact O-N 3.4Å; V23-K25 VanDerWaalsContact C-N 3.28Å; V23-K25 PolarHBondContact O-N 2.84Å; K25-R159 PolarHBondContact NZ-O 3.38Å; K25-L160 HydrophobicContact CB-CD2 3.81Å; K25-L160 HydrophobicContact CD-CD2 3.56Å; K25-L160 HydrophobicContact CG-CD2 4.28Å; K25-L160 PolarHBondContact NZ-O 3.25Å; K25-N162 PolarHBondContact NZ-O 3.34Å
26Y96.5Very high96.4Very high35 Ų3556.5 Ų56.514%0.13729%0.294CS..Hα-helixtrans-113.4-10.3-169.5-58.7-59.8000114.6A22 R33 V34A22-Y26 HydrophobicContact CB-CD2 4.36Å; A22-Y26 WeakPolarHBondContact O-CB 3.47Å; A22-Y26 VanDerWaalsContact O-CD2 3.31Å; A22-Y26 WeakPolarHBondContact O-CD2 3.24Å; A22-Y26 PolarHBondContact O-N 3.29Å; Y26-R33 HydrophobicContact CD2-CB 4.43Å; Y26-R33 HydrophobicContact CG-CB 4.37Å; Y26-V34 HydrophobicContact CD2-CG2 4.3Å
27G95.4Very high96.3Very high30 Ų3056.4 Ų56.431%0.30929%0.293SS..  trans73.7170.1-178.800000114.7V23 N29V23-G27 VanDerWaalsContact O-CA 3.24Å; V23-G27 WeakPolarHBondContact O-CA 3.42Å; V23-G27 PolarHBondContact O-N 2.96Å; G27-N29 PolarHBondContact O-N 3.1Å
28K96.1Very high96.2Very high93 Ų9352.2 Ų52.240%0.40427%0.274SS..THydrogen-bonded Turntrans-72.18.5-175.4-54.2-173.9-171.4-175.60115.1V23 W31 D55V23-K28 HydrophobicContact CG1-CG 4.04Å; K28-W31 HydrophobicContact CB-CZ2 4.12Å; K28-W31 WeakPolarHBondContact O-CZ2 3.32Å; K28-W31 PolarHBondContact O-NE1 2.9Å; K28-D55 WeakPolarHBondContact CE-OD1 3.38Å; K28-D55 IonicContact NZ-OD1 3.4Å; K28-D55 PolarHBondContact NZ-OD1 2.99Å; K28-D55 IonicContact NZ-OD2 2.7Å
29N96.3Very high95.9Very high151 Ų15155.7 Ų55.781%0.80729%0.29SS*.THydrogen-bonded Turntrans-112.9-18.3-176.7-70.3-18.2000113.9G27G27-N29 PolarHBondContact O-N 3.1Å
30Q96.5Very high95.6Very high84 Ų8461 Ų6139%0.39331%0.31SS..  trans-106.344.2-169.2-59.1-171.611.300113.1S32 R33 V34Q30-S32 PolarHBondContact O-N 3.4Å; Q30-R33 HydrophobicContact CB-CB 4.47Å; Q30-R33 HydrophobicContact CB-CG 4.49Å; Q30-R33 WeakPolarHBondContact O-CB 3.15Å; Q30-R33 PolarHBondContact O-N 3.5Å; Q30-V34 PolarHBondContact O-N 2.87Å
31W97.2Very high95.4Very high27 Ų2758 Ų5810%0.10230%0.296CS..Hα-helixtrans-52.5-30.2-174.1-60.2105.3000115.5L19 V23 K28 V34 A35 A43 C46 K47 W50 F51L19-W31 HydrophobicContact CD1-CZ3 4.43Å; V23-W31 HydrophobicContact CG2-CH2 4.11Å; V23-W31 HydrophobicContact CG2-CZ3 3.92Å; K28-W31 HydrophobicContact CB-CZ2 4.12Å; K28-W31 WeakPolarHBondContact O-CZ2 3.32Å; K28-W31 PolarHBondContact O-NE1 2.9Å; W31-V34 HydrophobicContact CE3-CG1 4.42Å; W31-V34 PolarHBondContact O-N 3.16Å; W31-A35 WeakPolarHBondContact O-CB 3.44Å; W31-A35 PolarHBondContact O-N 3.42Å; W31-A43 HydrophobicContact CB-CB 4.11Å; W31-C46 HydrophobicContact CE3-CB 4.16Å; W31-K47 HydrophobicContact CD2-CB 3.69Å; W31-K47 HydrophobicContact CD2-CG 4.06Å; W31-K47 HydrophobicContact CE3-CB 4.05Å; W31-K47 HydrophobicContact CG-CB 3.98Å; W31-K47 HydrophobicContact CG-CG 4.37Å; W31-K47 HydrophobicContact CZ2-CB 4.45Å; W31-K47 HydrophobicContact CZ2-CG 4.11Å; W31-W50 HydrophobicContact CH2-CB 3.48Å; W31-W50 VanDerWaalsContact CH2-CB 3.48Å; W31-W50 AromaticContact CH2-CD1 3.94Å; W31-W50 HydrophobicContact CH2-CD2 4.27Å; W31-W50 AromaticContact CH2-CG 3.56Å; W31-W50 HydrophobicContact CH2-CG 3.56Å; W31-W50 HydrophobicContact CZ2-CB 4.48Å; W31-W50 HydrophobicContact CZ2-CG 4.49Å; W31-W50 HydrophobicContact CZ3-CB 3.87Å; W31-W50 HydrophobicContact CZ3-CG 4.29Å; W31-F51 AromaticContact CZ2-CE2 3.8Å; W31-F51 HydrophobicContact CZ2-CE2 3.8Å; W31-F51 HydrophobicContact CZ2-CZ 4.43Å
32S96.3Very high95.3Very high96 Ų9658.1 Ų58.167%0.67130%0.296SS*.Hα-helixtrans-65.2-38.8174.4-175.30000112.5Q30 S36Q30-S32 PolarHBondContact O-N 3.4Å; S32-S36 PolarHBondContact O-N 2.94Å; S32-S36 VanDerWaalsContact O-N 3.08Å
33R95.7Very high95.2Very high131 Ų13159.7 Ų59.749%0.49431%0.308SS..Hα-helixtrans-73.1-37.8175.5-60.9177.676.7-1786.7111.4Y26 Q30 S36Y26-R33 HydrophobicContact CD2-CB 4.43Å; Y26-R33 HydrophobicContact CG-CB 4.37Å; Q30-R33 HydrophobicContact CB-CB 4.47Å; Q30-R33 HydrophobicContact CB-CG 4.49Å; Q30-R33 WeakPolarHBondContact O-CB 3.15Å; Q30-R33 PolarHBondContact O-N 3.5Å; R33-S36 WeakPolarHBondContact O-CB 3.41Å; R33-S36 PolarHBondContact O-N 3.09Å; R33-S36 PolarHBondContact O-OG 2.95Å
34V96.8Very high95.1Very high0 Ų067.7 Ų67.70%034%0.342CS..Hα-helixtrans-60.7-52.3174.3173.40000110.6L19 A22 V23 Y26 Q30 W31 S36 L37 C46L19-V34 HydrophobicContact CD1-CG1 3.27Å; A22-V34 HydrophobicContact CB-CB 4.39Å; A22-V34 HydrophobicContact CB-CG1 3.94Å; A22-V34 HydrophobicContact CB-CG2 4.24Å; V23-V34 HydrophobicContact CG2-CG2 4.5Å; Y26-V34 HydrophobicContact CD2-CG2 4.3Å; Q30-V34 PolarHBondContact O-N 2.87Å; W31-V34 HydrophobicContact CE3-CG1 4.42Å; W31-V34 PolarHBondContact O-N 3.16Å; V34-S36 PolarHBondContact O-N 2.92Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.47Å; V34-C46 HydrophobicContact CG1-CB 4.29Å
35A95.4Very high95Very high15 Ų1561.5 Ų61.512%0.12431%0.311CS..Hα-helixtrans-64.6-25.5177.200000113.6W31 L37 L38 A43W31-A35 WeakPolarHBondContact O-CB 3.44Å; W31-A35 PolarHBondContact O-N 3.42Å; A35-L37 PolarHBondContact O-N 3.06Å; A35-L37 VanDerWaalsContact O-N 3.08Å; A35-L38 PolarHBondContact O-N 3.4Å; A35-A43 HydrophobicContact CB-CB 4.01Å
36S94.5Very high95Very high61 Ų6157.9 Ų57.943%0.42730%0.295SS..THydrogen-bonded Turntrans-63.6-12172.682.20000113.8S32 R33 V34 R159S32-S36 PolarHBondContact O-N 2.94Å; S32-S36 VanDerWaalsContact O-N 3.08Å; R33-S36 WeakPolarHBondContact O-CB 3.41Å; R33-S36 PolarHBondContact O-N 3.09Å; R33-S36 PolarHBondContact O-OG 2.95Å; V34-S36 PolarHBondContact O-N 2.92Å; S36-R159 PolarHBondContact O-NH1 2.9Å; S36-R159 PolarHBondContact O-NH2 3.37Å; S36-R159 PolarHBondContact OG-NH1 3.37Å
37L94.6Very high95Very high3 Ų361.1 Ų61.12%0.01631%0.31CS..THydrogen-bonded Turntrans-93.4-9.3176.1-13769.8000113.4V18 A22 V34 A35 A156 R159 L160V18-L37 HydrophobicContact CG1-CB 4.29Å; V18-L37 HydrophobicContact CG1-CD2 3.83Å; V18-L37 HydrophobicContact CG1-CG 4.11Å; A22-L37 HydrophobicContact CB-CD2 3.87Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.47Å; A35-L37 PolarHBondContact O-N 3.06Å; A35-L37 VanDerWaalsContact O-N 3.08Å; L37-A156 HydrophobicContact CD2-CB 4.04Å; L37-A156 HydrophobicContact CG-CB 4.05Å; L37-R159 HydrophobicContact CD1-CB 3.77Å; L37-R159 HydrophobicContact CD1-CG 4.22Å; L37-L160 HydrophobicContact CD2-CD2 4.4Å; L37-L160 HydrophobicContact CD2-CG 4.4Å
38L93.8Very high95Very high2 Ų261 Ų611%0.0131%0.307CS..  trans-126.995.3-175.2-67.3174.2000109.6W11 E15 V18 L19 A35 R40 K41 M152W11-L38 HydrophobicContact CH2-CD1 4.47Å; W11-L38 HydrophobicContact CZ3-CD1 4.12Å; E15-L38 HydrophobicContact CB-CD2 4.09Å; E15-L38 HydrophobicContact CG-CD2 4.34Å; V18-L38 HydrophobicContact CB-CD2 3.89Å; V18-L38 HydrophobicContact CG1-CD2 3.59Å; V18-L38 HydrophobicContact CG1-CG 4.18Å; L19-L38 HydrophobicContact CB-CD1 4.2Å; A35-L38 PolarHBondContact O-N 3.4Å; L38-R40 PolarHBondContact O-N 3.04Å; L38-K41 HydrophobicContact CB-CB 4.02Å; L38-K41 HydrophobicContact CB-CG 4.5Å; L38-K41 HydrophobicContact CD1-CB 4.36Å; L38-K41 PolarHBondContact O-N 3.3Å; L38-K41 VanDerWaalsContact O-N 3.13Å; L38-M152 HydrophobicContact CD2-SD 3.67Å
39H90.2Very high95.1Very high82 Ų8256.6 Ų56.638%0.3829%0.288SS..THydrogen-bonded Turntrans-50.5-34.2-17266.8138.1000115.4D148H39-D148 IonicContact CE1-OD2 3.88Å; H39-D148 PolarHBondContact CE1-OD2 3.37Å; H39-D148 IonicContact ND1-OD2 3.86Å
40R90.6Very high95.1Very high111 Ų11150.4 Ų50.442%0.41925%0.253SS..THydrogen-bonded Turntrans-102.8-3.1-176.5-65.6175.773.5160.93.5115.1K7 G8 L38K7-R40 CarbonylContact C-O 3.56Å; K7-R40 VanDerWaalsContact CA-O 3.28Å; K7-R40 WeakPolarHBondContact CA-O 3.32Å; G8-R40 PolarHBondContact N-O 2.99Å; L38-R40 PolarHBondContact O-N 3.04Å
41K93.9Very high95.1Very high9 Ų950.9 Ų50.94%0.03925%0.254CS..  trans-114135-174.9-60.9-64.9-161.3-77.70111.7V10 W11 E15 L38V10-K41 PolarHBondContact O-NZ 3.45Å; V10-K41 VanDerWaalsContact O-NZ 3.12Å; W11-K41 HydrophobicContact CD2-CD 4.3Å; W11-K41 VanDerWaalsContact CD2-CE 3.44Å; W11-K41 VanDerWaalsContact CE2-CE 3.41Å; W11-K41 HydrophobicContact CE3-CD 4.44Å; W11-K41 HydrophobicContact CE3-CG 4.41Å; W11-K41 HydrophobicContact CH2-CB 3.87Å; W11-K41 HydrophobicContact CH2-CD 3.84Å; W11-K41 HydrophobicContact CH2-CG 3.64Å; W11-K41 HydrophobicContact CZ2-CB 4.36Å; W11-K41 HydrophobicContact CZ2-CD 3.66Å; W11-K41 HydrophobicContact CZ2-CG 4.02Å; W11-K41 HydrophobicContact CZ3-CB 4.44Å; W11-K41 HydrophobicContact CZ3-CD 4.23Å; W11-K41 HydrophobicContact CZ3-CG 3.86Å; E15-K41 WeakPolarHBondContact OE1-CG 3.26Å; E15-K41 IonicContact OE1-NZ 2.7Å; E15-K41 PolarHBondContact OE1-NZ 3.01Å; E15-K41 WeakPolarHBondContact OE2-CE 3.48Å; E15-K41 IonicContact OE2-NZ 2.89Å; E15-K41 PolarHBondContact OE2-NZ 3.22Å; L38-K41 HydrophobicContact CB-CB 4.02Å; L38-K41 HydrophobicContact CB-CG 4.5Å; L38-K41 HydrophobicContact CD1-CB 4.36Å; L38-K41 PolarHBondContact O-N 3.3Å; L38-K41 VanDerWaalsContact O-N 3.13Å
42S94.3Very high95Very high36 Ų3652 Ų5225%0.25226%0.26SS..  trans-81.6158178.6-174.20000111.9K44 Q45 C46S42-K44 PolarHBondContact O-N 3.4Å; S42-Q45 VanDerWaalsContact CB-OE1 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.35Å; S42-Q45 PolarHBondContact O-N 3.45Å; S42-C46 PolarHBondContact O-N 2.97Å; S42-C46 PolarHBondContact O-SG 3.32Å
43A95.5Very high94.9Very high32 Ų3250 Ų5026%0.26424%0.238SC..Hα-helixtrans-58-32.9174.300000113W31 A35 K47W31-A43 HydrophobicContact CB-CB 4.11Å; A35-A43 HydrophobicContact CB-CB 4.01Å; A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å; A43-K47 VanDerWaalsContact O-N 3.13Å
44K94.7Very high95Very high179 Ų17944.6 Ų44.678%0.77822%0.219SC*.Hα-helixtrans-67.5-44.7173.1-67.5-173.7179.4-177.30111.8S42 K47 A48S42-K44 PolarHBondContact O-N 3.4Å; K44-K47 PolarHBondContact O-N 3.19Å; K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 2.98Å
45Q94.9Very high94.9Very high38 Ų3845.4 Ų45.418%0.17822%0.223CC..Hα-helixtrans-64.8-45.2179-66170.8-3900110.8K7 W11 S42 K47 A48 R49 E134K7-Q45 PolarHBondContact O-NE2 3.17Å; W11-Q45 HydrophobicContact CZ2-CB 4.07Å; S42-Q45 VanDerWaalsContact CB-OE1 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.35Å; S42-Q45 PolarHBondContact O-N 3.45Å; Q45-K47 VanDerWaalsContact C-N 3.31Å; Q45-K47 PolarHBondContact O-N 2.8Å; Q45-A48 PolarHBondContact O-N 3.43Å; Q45-R49 VanDerWaalsContact O-CB 3.26Å; Q45-R49 WeakPolarHBondContact O-CB 3.34Å; Q45-R49 PolarHBondContact O-N 3.1Å; Q45-E134 WeakPolarHBondContact CA-OE1 3.46Å; Q45-E134 VanDerWaalsContact CB-OE1 3.23Å; Q45-E134 WeakPolarHBondContact CB-OE1 3.5Å; Q45-E134 VanDerWaalsContact CG-OE1 3.25Å; Q45-E134 WeakPolarHBondContact CG-OE1 3.49Å
46C96.3Very high94.8Very high0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-59.5-39.8174.3-59.80000112.4L19 W31 V34 S42 W50L19-C46 HydrophobicContact CD1-CB 4.01Å; W31-C46 HydrophobicContact CE3-CB 4.16Å; V34-C46 HydrophobicContact CG1-CB 4.29Å; S42-C46 PolarHBondContact O-N 2.97Å; S42-C46 PolarHBondContact O-SG 3.32Å; C46-W50 WeakPolarHBondContact O-CB 3.28Å; C46-W50 PolarHBondContact O-N 2.85Å; C46-W50 VanDerWaalsContact O-N 3.12Å
47K96.8Very high94.7Very high104 Ų10451.6 Ų51.645%0.45226%0.263SS..Hα-helixtrans-67.1-48.8176.3-175.9178.4-179.9-173.50111.4W31 A43 K44 Q45 W50 F51W31-K47 HydrophobicContact CD2-CB 3.69Å; W31-K47 HydrophobicContact CD2-CG 4.06Å; W31-K47 HydrophobicContact CE3-CB 4.05Å; W31-K47 HydrophobicContact CG-CB 3.98Å; W31-K47 HydrophobicContact CG-CG 4.37Å; W31-K47 HydrophobicContact CZ2-CB 4.45Å; W31-K47 HydrophobicContact CZ2-CG 4.11Å; A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å; A43-K47 VanDerWaalsContact O-N 3.13Å; K44-K47 PolarHBondContact O-N 3.19Å; Q45-K47 VanDerWaalsContact C-N 3.31Å; Q45-K47 PolarHBondContact O-N 2.8Å; K47-W50 PolarHBondContact O-N 3.37Å; K47-F51 HydrophobicContact CD-CE2 4.45Å; K47-F51 HydrophobicContact CG-CD2 3.79Å; K47-F51 HydrophobicContact CG-CE2 3.84Å; K47-F51 VanDerWaalsContact O-CD2 3.27Å; K47-F51 WeakPolarHBondContact O-CD2 3.47Å; K47-F51 PolarHBondContact O-N 2.92Å; K47-F51 VanDerWaalsContact O-N 3.11Å
48A95.5Very high94.8Very high28 Ų2852.5 Ų52.523%0.23127%0.267CS..Hα-helixtrans-61.2-50.5178.900000110.9K44 Q45 W50 F51 E52 E134K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 2.98Å; Q45-A48 PolarHBondContact O-N 3.43Å; A48-W50 PolarHBondContact O-N 3.47Å; A48-W50 VanDerWaalsContact O-N 3.14Å; A48-F51 PolarHBondContact O-N 3.21Å; A48-E52 VanDerWaalsContact O-CB 3.29Å; A48-E52 WeakPolarHBondContact O-CB 3.37Å; A48-E52 WeakPolarHBondContact O-CG 3.36Å; A48-E52 PolarHBondContact O-N 3.31Å; A48-E134 HydrophobicContact CB-CB 4.27Å; A48-E134 HydrophobicContact CB-CG 3.81Å
49R96.5Very high94.8Very high0 Ų056.9 Ų56.90%029%0.286CS..Hα-helixtrans-51.7-40.1174.1-175.959.8172.3-177.6-3.9113.3W11 D16 L19 Q45 W53 L54 E134 K136W11-R49 HydrophobicContact CD2-CB 4.22Å; W11-R49 HydrophobicContact CD2-CG 3.64Å; W11-R49 HydrophobicContact CE3-CG 3.79Å; W11-R49 HydrophobicContact CG-CG 4.26Å; W11-R49 HydrophobicContact CH2-CB 3.83Å; W11-R49 HydrophobicContact CH2-CG 3.96Å; W11-R49 HydrophobicContact CZ2-CB 3.46Å; W11-R49 VanDerWaalsContact CZ2-CB 3.46Å; W11-R49 HydrophobicContact CZ2-CG 3.8Å; W11-R49 HydrophobicContact CZ3-CB 4.34Å; W11-R49 HydrophobicContact CZ3-CG 3.94Å; D16-R49 IonicContact OD1-CZ 3.58Å; D16-R49 IonicContact OD1-NE 2.71Å; D16-R49 PolarHBondContact OD1-NE 3.1Å; D16-R49 IonicContact OD1-NH2 3.95Å; D16-R49 IonicContact OD2-CZ 2.74Å; D16-R49 IonicContact OD2-NE 3.79Å; D16-R49 PolarHBondContact OD2-NE 3.06Å; D16-R49 IonicContact OD2-NH2 3.02Å; D16-R49 PolarHBondContact OD2-NH2 3.36Å; L19-R49 HydrophobicContact CD2-CB 3.98Å; L19-R49 HydrophobicContact CD2-CG 3.73Å; Q45-R49 VanDerWaalsContact O-CB 3.26Å; Q45-R49 WeakPolarHBondContact O-CB 3.34Å; Q45-R49 PolarHBondContact O-N 3.1Å; R49-W53 PolarHBondContact O-N 3.38Å; R49-L54 HydrophobicContact CG-CD1 4.02Å; R49-L54 HydrophobicContact CG-CG 4.27Å; R49-L54 PolarHBondContact O-N 3.35Å; R49-E134 HydrophobicContact CB-CB 4.45Å; R49-E134 HydrophobicContact CB-CG 4.04Å; R49-E134 WeakPolarHBondContact CD-O 3.27Å; R49-E134 PolarHBondContact NH1-O 2.89Å; R49-K136 PolarHBondContact NH1-O 3.49Å; R49-K136 PolarHBondContact NH2-O 2.66Å
50W97.1Very high94.9Very high20 Ų2058 Ų588%0.07629%0.29CS..Iπ-helixtrans-63.5-55.5175.3-174-87.9000112.1K20 V23 W31 C46 K47 A48 E52 L54 D55K20-W50 HydrophobicContact CG-CZ3 4.4Å; V23-W50 HydrophobicContact CB-CE3 4.09Å; V23-W50 HydrophobicContact CB-CH2 4.12Å; V23-W50 HydrophobicContact CB-CZ3 3.81Å; V23-W50 HydrophobicContact CG1-CD2 4.28Å; V23-W50 HydrophobicContact CG1-CE3 4.16Å; V23-W50 HydrophobicContact CG1-CH2 3.71Å; V23-W50 HydrophobicContact CG1-CZ2 3.84Å; V23-W50 HydrophobicContact CG1-CZ3 3.88Å; V23-W50 HydrophobicContact CG2-CD2 4.18Å; V23-W50 HydrophobicContact CG2-CE3 3.72Å; V23-W50 HydrophobicContact CG2-CZ3 3.97Å; W31-W50 HydrophobicContact CH2-CB 3.48Å; W31-W50 VanDerWaalsContact CH2-CB 3.48Å; W31-W50 AromaticContact CH2-CD1 3.94Å; W31-W50 HydrophobicContact CH2-CD2 4.27Å; W31-W50 AromaticContact CH2-CG 3.56Å; W31-W50 HydrophobicContact CH2-CG 3.56Å; W31-W50 HydrophobicContact CZ2-CB 4.48Å; W31-W50 HydrophobicContact CZ2-CG 4.49Å; W31-W50 HydrophobicContact CZ3-CB 3.87Å; W31-W50 HydrophobicContact CZ3-CG 4.29Å; C46-W50 WeakPolarHBondContact O-CB 3.28Å; C46-W50 PolarHBondContact O-N 2.85Å; C46-W50 VanDerWaalsContact O-N 3.12Å; K47-W50 PolarHBondContact O-N 3.37Å; A48-W50 PolarHBondContact O-N 3.47Å; A48-W50 VanDerWaalsContact O-N 3.14Å; W50-E52 VanDerWaalsContact C-N 3.34Å; W50-E52 PolarHBondContact O-N 3.26Å; W50-L54 HydrophobicContact CD2-CB 4.36Å; W50-L54 HydrophobicContact CE3-CB 3.8Å; W50-L54 HydrophobicContact CE3-CD1 4.33Å; W50-L54 HydrophobicContact CZ3-CB 4.12Å; W50-L54 PolarHBondContact O-N 3.04Å; W50-L54 VanDerWaalsContact O-N 3.14Å; W50-D55 PolarHBondContact NE1-OD1 3.28Å; W50-D55 WeakPolarHBondContact O-CB 3.49Å; W50-D55 PolarHBondContact O-N 3.38Å
51F95.8Very high95.1Very high95 Ų9557.3 Ų57.342%0.41730%0.298SS..Iπ-helixtrans-77.8-12.3-175.3-71-71.4000115.1W31 K47 A48 I58W31-F51 AromaticContact CZ2-CE2 3.8Å; W31-F51 HydrophobicContact CZ2-CE2 3.8Å; W31-F51 HydrophobicContact CZ2-CZ 4.43Å; K47-F51 HydrophobicContact CD-CE2 4.45Å; K47-F51 HydrophobicContact CG-CD2 3.79Å; K47-F51 HydrophobicContact CG-CE2 3.84Å; K47-F51 VanDerWaalsContact O-CD2 3.27Å; K47-F51 WeakPolarHBondContact O-CD2 3.47Å; K47-F51 PolarHBondContact O-N 2.92Å; K47-F51 VanDerWaalsContact O-N 3.11Å; A48-F51 PolarHBondContact O-N 3.21Å; F51-I58 WeakPolarHBondContact O-CD1 3.45Å
52E95.4Very high95.1Very high49 Ų4965.6 Ų65.623%0.22934%0.337CS..Iπ-helixtrans-105.8-24.2179.8-66.9172.9-170.200113.3A48 W50 E134 T135A48-E52 VanDerWaalsContact O-CB 3.29Å; A48-E52 WeakPolarHBondContact O-CB 3.37Å; A48-E52 WeakPolarHBondContact O-CG 3.36Å; A48-E52 PolarHBondContact O-N 3.31Å; W50-E52 VanDerWaalsContact C-N 3.34Å; W50-E52 PolarHBondContact O-N 3.26Å; E52-E134 WeakPolarHBondContact OE2-CB 3.24Å; E52-T135 WeakPolarHBondContact OE2-CG2 3.12Å
53W95.6Very high95.1Very high54 Ų5466.2 Ų66.221%0.20533%0.334CS..Iπ-helixtrans-136.7-38.7-179.3-166.7-106.7000116R49 K60 T135 P137R49-W53 PolarHBondContact O-N 3.38Å; W53-K60 HydrophobicContact CH2-CD 4.3Å; W53-K60 HydrophobicContact CZ2-CD 4.28Å; W53-K60 WeakPolarHBondContact O-CE 3.32Å; W53-K60 PolarHBondContact O-NZ 2.89Å; W53-T135 WeakPolarHBondContact CZ3-O 3.39Å; W53-P137 HydrophobicContact CH2-CB 4.35Å; W53-P137 HydrophobicContact CH2-CG 3.82Å; W53-P137 HydrophobicContact CZ2-CB 4Å; W53-P137 HydrophobicContact CZ2-CG 3.99Å
54L95.9Very high95.1Very high18 Ų1867.1 Ų67.19%0.09434%0.338CS..Iπ-helixtrans-94.9-19.7-168.6-62.3176.7000116.2D16 L19 R49 W50 P56D16-L54 HydrophobicContact CB-CD1 4.3Å; D16-L54 HydrophobicContact CB-CD2 4.1Å; L19-L54 HydrophobicContact CB-CD1 4.11Å; L19-L54 HydrophobicContact CD2-CD1 3.54Å; L19-L54 HydrophobicContact CG-CD1 3.75Å; R49-L54 HydrophobicContact CG-CD1 4.02Å; R49-L54 HydrophobicContact CG-CG 4.27Å; R49-L54 PolarHBondContact O-N 3.35Å; W50-L54 HydrophobicContact CD2-CB 4.36Å; W50-L54 HydrophobicContact CE3-CB 3.8Å; W50-L54 HydrophobicContact CE3-CD1 4.33Å; W50-L54 HydrophobicContact CZ3-CB 4.12Å; W50-L54 PolarHBondContact O-N 3.04Å; W50-L54 VanDerWaalsContact O-N 3.14Å; L54-P56 WeakPolarHBondContact O-CD 3.32Å
55D94.7Very high95Very high18 Ų1865.3 Ų65.310%0.09633%0.327CS..SBendtrans-66.3127.3-178.5-161.668.5000110.6K28 W50 S57 I58K28-D55 WeakPolarHBondContact CE-OD1 3.38Å; K28-D55 IonicContact NZ-OD1 3.4Å; K28-D55 PolarHBondContact NZ-OD1 2.99Å; K28-D55 IonicContact NZ-OD2 2.7Å; W50-D55 PolarHBondContact NE1-OD1 3.28Å; W50-D55 WeakPolarHBondContact O-CB 3.49Å; W50-D55 PolarHBondContact O-N 3.38Å; D55-S57 PolarHBondContact O-N 2.86Å; D55-S57 WeakPolarHBondContact OD2-CB 3.28Å; D55-S57 PolarHBondContact OD2-OG 3.26Å; D55-I58 HydrophobicContact CB-CD1 3.95Å; D55-I58 HydrophobicContact CB-CG1 4.27Å; D55-I58 WeakPolarHBondContact O-CB 3.47Å; D55-I58 WeakPolarHBondContact O-CG1 3.36Å; D55-I58 PolarHBondContact O-N 3.06Å
56P94.9Very high94.9Very high118 Ų11869 Ų6977%0.76634%0.344SS*.THydrogen-bonded Turntrans-61.5-12.8-176.5-26.735.6000115.6L54 I58L54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-I58 PolarHBondContact O-N 3.1Å
57S92.5Very high94.9Very high88 Ų8870 Ų7062%0.61535%0.348SS*.THydrogen-bonded Turntrans-71.9-16.1173.965.90000113.7D55 K59D55-S57 PolarHBondContact O-N 2.86Å; D55-S57 WeakPolarHBondContact OD2-CB 3.28Å; D55-S57 PolarHBondContact OD2-OG 3.26Å; S57-K59 PolarHBondContact O-N 2.93Å
58I95.1Very high94.8Very high22 Ų2265.9 Ų65.911%0.11333%0.331CS..SBendtrans-80.5109.5-175.5-59.7166000109.8F51 D55 P56 K60 T92F51-I58 WeakPolarHBondContact O-CD1 3.45Å; D55-I58 HydrophobicContact CB-CD1 3.95Å; D55-I58 HydrophobicContact CB-CG1 4.27Å; D55-I58 WeakPolarHBondContact O-CB 3.47Å; D55-I58 WeakPolarHBondContact O-CG1 3.36Å; D55-I58 PolarHBondContact O-N 3.06Å; P56-I58 PolarHBondContact O-N 3.1Å; I58-K60 HydrophobicContact CG2-CG 4.43Å; I58-K60 PolarHBondContact O-N 3.32Å; I58-T92 HydrophobicContact CB-CG2 4.48Å; I58-T92 HydrophobicContact CD1-CG2 4.14Å; I58-T92 HydrophobicContact CG1-CG2 4.01Å; I58-T92 HydrophobicContact CG2-CG2 3.71Å
59K94.5Very high94.7Very high93 Ų9365 Ų6540%0.40432%0.323SS..  trans-63.6120.9172.4-62.3174.8176.1173.80110.4S57 E67 R91 Q95S57-K59 PolarHBondContact O-N 2.93Å; K59-E67 IonicContact NZ-OE1 3.97Å; K59-E67 PolarHBondContact NZ-OE1 3.35Å; K59-R91 PolarHBondContact O-NH1 3.49Å; K59-Q95 PolarHBondContact O-NE2 2.88Å; K59-Q95 VanDerWaalsContact O-NE2 3.1Å
60K93.1Very high94.6Very high105 Ų10568.6 Ų68.646%0.45734%0.338SS..  trans-111.110.1172.6-59.6-176.2-175-178.90113.4W53 I58W53-K60 HydrophobicContact CH2-CD 4.3Å; W53-K60 HydrophobicContact CZ2-CD 4.28Å; W53-K60 WeakPolarHBondContact O-CE 3.32Å; W53-K60 PolarHBondContact O-NZ 2.89Å; I58-K60 HydrophobicContact CG2-CG 4.43Å; I58-K60 PolarHBondContact O-N 3.32Å
61T93.6Very high94.5Very high98 Ų9867.6 Ų67.660%0.60134%0.335SS*.SBendtrans-70165.8171.953.30000110.7R91T61-R91 PolarHBondContact O-NH1 3.09Å; T61-R91 PolarHBondContact O-NH2 3.02Å; T61-R91 PolarHBondContact OG1-NH2 2.79Å
62E93.9Very high94.4Very high182 Ų18263.8 Ų63.885%0.8532%0.318SS*.PPolyproline II helixtrans-54.2156.8168.8-64.5175.5-17400111.7R91E62-R91 PolarHBondContact O-NH2 2.87Å
63W94.6Very high94.2Very high49 Ų4962.7 Ų62.719%0.18631%0.313CS..PPolyproline II helixtrans-78.7131.8179-77.581000110.4E67 L71 V89 R91 Q95 R99W63-E67 HydrophobicContact CE3-CB 3.82Å; W63-E67 HydrophobicContact CZ3-CB 4.2Å; W63-L71 HydrophobicContact CH2-CD2 4Å; W63-L71 HydrophobicContact CZ3-CB 4.42Å; W63-L71 HydrophobicContact CZ3-CD2 3.87Å; W63-V89 HydrophobicContact CH2-CG1 4.17Å; W63-V89 HydrophobicContact CZ3-CG1 3.8Å; W63-R91 HydrophobicContact CH2-CB 4.01Å; W63-R91 HydrophobicContact CH2-CG 3.73Å; W63-R91 HydrophobicContact CZ2-CB 4.23Å; W63-R91 HydrophobicContact CZ2-CG 3.96Å; W63-R91 HydrophobicContact CZ3-CG 4.14Å; W63-Q95 HydrophobicContact CZ2-CB 4.16Å; W63-Q95 WeakPolarHBondContact CZ2-O 3.45Å; W63-R99 HydrophobicContact CD2-CB 4.13Å; W63-R99 HydrophobicContact CD2-CG 3.59Å; W63-R99 HydrophobicContact CE3-CG 3.86Å; W63-R99 HydrophobicContact CG-CG 4.03Å; W63-R99 HydrophobicContact CH2-CB 3.96Å; W63-R99 HydrophobicContact CH2-CG 4.16Å; W63-R99 HydrophobicContact CZ2-CB 3.49Å; W63-R99 VanDerWaalsContact CZ2-CB 3.49Å; W63-R99 HydrophobicContact CZ2-CG 3.89Å; W63-R99 HydrophobicContact CZ3-CB 4.45Å; W63-R99 HydrophobicContact CZ3-CG 4.14Å
64S94.8Very high94.2Very high51 Ų5161 Ų6136%0.35731%0.308SS..PPolyproline II helixtrans-82.9155172.7800000110.7E66 E67 D68S64-E66 PolarHBondContact O-N 2.96Å; S64-E67 WeakPolarHBondContact O-CB 3.49Å; S64-E67 PolarHBondContact O-N 3.5Å; S64-E67 WeakPolarHBondContact OG-CG 3.31Å; S64-E67 PolarHBondContact OG-N 3.47Å; S64-E67 VanDerWaalsContact OG-N 3.15Å; S64-D68 PolarHBondContact O-N 2.89Å
65R93.1Very high94.1Very high142 Ų14260.4 Ų60.454%0.53631%0.306SS..Hα-helixtrans-55.6-38.1174.6-179.5177171.1154.25.8112.4E67 D68 E69 I359R65-E67 VanDerWaalsContact C-N 3.35Å; R65-D68 PolarHBondContact O-N 2.64Å; R65-E69 HydrophobicContact CG-CG 4.4Å; R65-E69 WeakPolarHBondContact CG-OE1 3.2Å; R65-E69 IonicContact CZ-OE1 2.86Å; R65-E69 IonicContact NE-OE1 3.75Å; R65-E69 PolarHBondContact NE-OE1 3.47Å; R65-E69 IonicContact NH2-OE1 2.69Å; R65-E69 PolarHBondContact NH2-OE1 3.26Å; R65-E69 WeakPolarHBondContact O-CB 3.48Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 3Å; R65-I359 HydrophobicContact CG-CD1 4.11Å
66E94.2Very high94Very high116 Ų11663.4 Ų63.454%0.54232%0.318SS..Hα-helixtrans-70.6-28.2177.3-58.2-172.3152.800112.9S64 K70 R396S64-E66 PolarHBondContact O-N 2.96Å; E66-K70 VanDerWaalsContact O-CB 3.24Å; E66-K70 WeakPolarHBondContact O-CB 3.28Å; E66-K70 PolarHBondContact O-N 2.91Å; E66-R396 IonicContact OE1-CZ 3.57Å; E66-R396 IonicContact OE1-NH2 3.36Å; E66-R396 PolarHBondContact OE1-NH2 2.98Å
67E95Very high94Very high19 Ų1963.1 Ų63.19%0.08931%0.309CS..Hα-helixtrans-73.8-40.1171.7-73.7179.4168.200111.3K59 W63 S64 R65 L71 V89 R91K59-E67 IonicContact NZ-OE1 3.97Å; K59-E67 PolarHBondContact NZ-OE1 3.35Å; W63-E67 HydrophobicContact CE3-CB 3.82Å; W63-E67 HydrophobicContact CZ3-CB 4.2Å; S64-E67 WeakPolarHBondContact O-CB 3.49Å; S64-E67 PolarHBondContact O-N 3.5Å; S64-E67 WeakPolarHBondContact OG-CG 3.31Å; S64-E67 PolarHBondContact OG-N 3.47Å; S64-E67 VanDerWaalsContact OG-N 3.15Å; R65-E67 VanDerWaalsContact C-N 3.35Å; E67-L71 VanDerWaalsContact O-CB 3.29Å; E67-L71 WeakPolarHBondContact O-CB 3.48Å; E67-L71 PolarHBondContact O-N 3.01Å; E67-V89 HydrophobicContact CB-CG1 4.5Å; E67-R91 IonicContact OE1-NE 3.7Å; E67-R91 IonicContact OE1-NH2 3.31Å; E67-R91 IonicContact OE2-CZ 3.81Å; E67-R91 VanDerWaalsContact OE2-CZ 3.3Å; E67-R91 IonicContact OE2-NE 3.88Å; E67-R91 PolarHBondContact OE2-NE 3.32Å; E67-R91 IonicContact OE2-NH2 2.84Å; E67-R91 PolarHBondContact OE2-NH2 2.8Å
68D95Very high93.9Very high18 Ų1861 Ų6110%0.09629%0.29CS..Hα-helixtrans-66.3-47.1176.1-74.1-24000112.5S64 R65 K70 L71 L72 R99 L103S64-D68 PolarHBondContact O-N 2.89Å; R65-D68 PolarHBondContact O-N 2.64Å; D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.07Å; D68-L71 WeakPolarHBondContact O-CB 3.45Å; D68-L71 PolarHBondContact O-N 3.13Å; D68-L72 WeakPolarHBondContact O-CG 3.25Å; D68-L72 PolarHBondContact O-N 2.89Å; D68-R99 IonicContact OD1-CZ 2.63Å; D68-R99 IonicContact OD1-NE 3.41Å; D68-R99 PolarHBondContact OD1-NE 3.5Å; D68-R99 IonicContact OD1-NH2 3.57Å; D68-R99 PolarHBondContact OD1-NH2 3.1Å; D68-R99 IonicContact OD2-CZ 3.33Å; D68-R99 IonicContact OD2-NE 3.05Å; D68-R99 IonicContact OD2-NH2 2.78Å; D68-R99 PolarHBondContact OD2-NH2 3.02Å; D68-L103 HydrophobicContact CB-CD1 4.17Å
69E93.1Very high93.9Very high11 Ų1164 Ų645%0.05131%0.311CS..Hα-helixtrans-58.9-44.6176.7-74.9172.6-175.800110.8R65 H73 I359 P394R65-E69 HydrophobicContact CG-CG 4.4Å; R65-E69 WeakPolarHBondContact CG-OE1 3.2Å; R65-E69 IonicContact CZ-OE1 2.86Å; R65-E69 IonicContact NE-OE1 3.75Å; R65-E69 PolarHBondContact NE-OE1 3.47Å; R65-E69 IonicContact NH2-OE1 2.69Å; R65-E69 PolarHBondContact NH2-OE1 3.26Å; R65-E69 WeakPolarHBondContact O-CB 3.48Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 3Å; E69-H73 WeakPolarHBondContact O-CB 3.43Å; E69-H73 PolarHBondContact O-N 3.4Å; E69-I359 HydrophobicContact CG-CD1 3.85Å; E69-I359 HydrophobicContact CG-CG1 4.07Å; E69-P394 WeakPolarHBondContact OE2-CD 3.45Å
70K93.8Very high93.8Very high74 Ų7465.1 Ų65.132%0.32233%0.326SS..Hα-helixtrans-64.9-39.4175.8-174-171.4-62.6173.90112.4E66 D68 L74 V89E66-K70 VanDerWaalsContact O-CB 3.24Å; E66-K70 WeakPolarHBondContact O-CB 3.28Å; E66-K70 PolarHBondContact O-N 2.91Å; D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.07Å; K70-L74 HydrophobicContact CD-CD1 4.43Å; K70-L74 HydrophobicContact CG-CD1 3.87Å; K70-L74 HydrophobicContact CG-CG 4.4Å; K70-L74 WeakPolarHBondContact O-CB 3.01Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3Å; K70-L74 PolarHBondContact O-N 3.06Å; K70-V89 HydrophobicContact CD-CG2 4.41Å
71L95.4Very high93.9Very high0 Ų064.6 Ų64.60%033%0.325CS..Hα-helixtrans-61.5-50.7177.7177.465.4000111W63 E67 D68 L74 S75 W82 I85 V89 C96 R99 L103W63-L71 HydrophobicContact CH2-CD2 4Å; W63-L71 HydrophobicContact CZ3-CB 4.42Å; W63-L71 HydrophobicContact CZ3-CD2 3.87Å; E67-L71 VanDerWaalsContact O-CB 3.29Å; E67-L71 WeakPolarHBondContact O-CB 3.48Å; E67-L71 PolarHBondContact O-N 3.01Å; D68-L71 WeakPolarHBondContact O-CB 3.45Å; D68-L71 PolarHBondContact O-N 3.13Å; L71-L74 PolarHBondContact O-N 3.13Å; L71-S75 WeakPolarHBondContact O-CB 3.33Å; L71-S75 PolarHBondContact O-N 2.95Å; L71-S75 PolarHBondContact O-OG 3.23Å; L71-W82 HydrophobicContact CD1-CZ3 4.01Å; L71-I85 HydrophobicContact CD1-CG2 4.15Å; L71-V89 HydrophobicContact CD1-CG2 4.43Å; L71-C96 HydrophobicContact CD1-CB 3.81Å; L71-R99 HydrophobicContact CD2-CB 3.86Å; L71-R99 HydrophobicContact CD2-CG 3.72Å; L71-L103 HydrophobicContact CD2-CD1 4.4Å
72L93.5Very high94Very high14 Ų1461.6 Ų61.67%0.07330%0.303CS..Hα-helixtrans-60.7-47.2178.9-70.3171.5000111.3D68 L74 S75 K76 Y100 L103 I359D68-L72 WeakPolarHBondContact O-CG 3.25Å; D68-L72 PolarHBondContact O-N 2.89Å; L72-L74 PolarHBondContact O-N 2.89Å; L72-S75 WeakPolarHBondContact CA-OG 3.1Å; L72-S75 PolarHBondContact O-N 3.2Å; L72-S75 PolarHBondContact O-OG 3.47Å; L72-K76 WeakPolarHBondContact O-CB 3.29Å; L72-K76 PolarHBondContact O-N 2.79Å; L72-Y100 HydrophobicContact CD2-CD2 4.14Å; L72-Y100 HydrophobicContact CD2-CE2 4.26Å; L72-L103 HydrophobicContact CD1-CD1 4.35Å; L72-L103 HydrophobicContact CD2-CB 4.5Å; L72-L103 HydrophobicContact CD2-CD1 4.29Å; L72-L103 HydrophobicContact CG-CD1 4.21Å; L72-I359 HydrophobicContact CD1-CG2 3.76Å
73H92.8Very high94Very high26 Ų2663.1 Ų63.112%0.1230%0.301CS..Hα-helixtrans-59.5-44.7177-172.385.1000112.7E69 K76 L77 G391E69-H73 WeakPolarHBondContact O-CB 3.43Å; E69-H73 PolarHBondContact O-N 3.4Å; H73-K76 WeakPolarHBondContact O-CB 3.34Å; H73-K76 PolarHBondContact O-N 3.22Å; H73-L77 WeakPolarHBondContact NE2-CD1 3.23Å; H73-L77 WeakPolarHBondContact O-CG 3.38Å; H73-L77 PolarHBondContact O-N 2.96Å; H73-G391 PolarHBondContact CE1-O 3.12Å; H73-G391 VanDerWaalsContact CE1-O 3.26Å; H73-G391 PolarHBondContact ND1-O 3.5Å
74L95Very high94.1Very high18 Ų1864 Ų649%0.09431%0.312CS..Hα-helixtrans-71.1-34.8179.4-70.5173.9000113.1K70 L71 L72 K76 L77 M78 I85 I88 V89K70-L74 HydrophobicContact CD-CD1 4.43Å; K70-L74 HydrophobicContact CG-CD1 3.87Å; K70-L74 HydrophobicContact CG-CG 4.4Å; K70-L74 WeakPolarHBondContact O-CB 3.01Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3Å; K70-L74 PolarHBondContact O-N 3.06Å; L71-L74 PolarHBondContact O-N 3.13Å; L72-L74 PolarHBondContact O-N 2.89Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-L77 PolarHBondContact O-N 2.75Å; L74-M78 HydrophobicContact CD2-CE 4.1Å; L74-M78 PolarHBondContact O-N 3.47Å; L74-I85 HydrophobicContact CB-CG1 4.19Å; L74-I85 HydrophobicContact CB-CG2 3.93Å; L74-I85 HydrophobicContact CD1-CG2 4.12Å; L74-I88 HydrophobicContact CD1-CB 3.9Å; L74-I88 HydrophobicContact CD1-CG2 3.67Å; L74-V89 HydrophobicContact CD1-CG2 3.95Å
75S93.9Very high94.1Very high7 Ų761.6 Ų61.65%0.04930%0.295CS..Hα-helixtrans-66.6-33173.662.80000112.9L71 L72 M78 P79 Y100L71-S75 WeakPolarHBondContact O-CB 3.33Å; L71-S75 PolarHBondContact O-N 2.95Å; L71-S75 PolarHBondContact O-OG 3.23Å; L72-S75 WeakPolarHBondContact CA-OG 3.1Å; L72-S75 PolarHBondContact O-N 3.2Å; L72-S75 PolarHBondContact O-OG 3.47Å; S75-M78 CarbonylContact O-C 3.59Å; S75-P79 WeakPolarHBondContact O-CA 3.28Å; S75-Y100 WeakPolarHBondContact OG-CE2 3.5Å
76K92.6Very high94.2Very high80 Ų8055.1 Ų55.135%0.34827%0.272SS..Hα-helixtrans-68.5-40.1173176.7172.7-166.1164.60112.3L72 H73 L74 E362 L366L72-K76 WeakPolarHBondContact O-CB 3.29Å; L72-K76 PolarHBondContact O-N 2.79Å; H73-K76 WeakPolarHBondContact O-CB 3.34Å; H73-K76 PolarHBondContact O-N 3.22Å; L74-K76 VanDerWaalsContact C-N 3.31Å; K76-E362 IonicContact NZ-OE1 2.61Å; K76-E362 PolarHBondContact NZ-OE1 2.89Å; K76-L366 HydrophobicContact CB-CD2 4.31Å; K76-L366 HydrophobicContact CD-CD1 4.26Å; K76-L366 HydrophobicContact CD-CD2 3.74Å; K76-L366 HydrophobicContact CD-CG 4.26Å; K76-L366 HydrophobicContact CG-CD2 3.83Å
77L93.6Very high94.3Very high112 Ų11254.6 Ų54.659%0.58628%0.278SS*.Hα-helixtrans-75.5-36.5176.3-71.2-179.1000113.7H73 L74H73-L77 WeakPolarHBondContact NE2-CD1 3.23Å; H73-L77 WeakPolarHBondContact O-CG 3.38Å; H73-L77 PolarHBondContact O-N 2.96Å; L74-L77 PolarHBondContact O-N 2.75Å
78M92Very high94.2Very high43 Ų4357.9 Ų57.921%0.21230%0.295CS..SBendtrans-130.275.8-175.2-65-175.6-7200111.5L74 S75 T80 Q81 T84 I85 I88L74-M78 HydrophobicContact CD2-CE 4.1Å; L74-M78 PolarHBondContact O-N 3.47Å; S75-M78 CarbonylContact O-C 3.59Å; M78-T80 PolarHBondContact O-N 3.22Å; M78-Q81 HydrophobicContact CB-CB 4.09Å; M78-Q81 HydrophobicContact CB-CG 4.19Å; M78-Q81 PolarHBondContact O-N 3.02Å; M78-T84 HydrophobicContact CE-CG2 4.27Å; M78-T84 HydrophobicContact SD-CG2 3.93Å; M78-I85 HydrophobicContact CE-CG1 4.09Å; M78-I88 HydrophobicContact CE-CD1 4.22Å
79P93.5Very high94.2Very high85 Ų8557.2 Ų57.255%0.55229%0.292SS*.THydrogen-bonded Turntrans-52.6126.5-175.9-28.735.9000113.3S75 Q81S75-P79 WeakPolarHBondContact O-CA 3.28Å; P79-Q81 PolarHBondContact O-N 3.44Å; P79-Q81 VanDerWaalsContact O-N 3.16Å
80T92.7Very high94.2Very high118 Ų11858.4 Ų58.472%0.72431%0.307SS*.THydrogen-bonded Turntrans61.69.2178.169.60000117.3M78 W82M78-T80 PolarHBondContact O-N 3.22Å; T80-W82 VanDerWaalsContact C-N 3.3Å; T80-W82 PolarHBondContact O-N 3.36Å
81Q95.9Very high94.3Very high94 Ų9455.6 Ų55.644%0.43930%0.295SS..  trans-86.751.4-177-55.5-165.816.200114.2M78 P79 R83 T84 I85M78-Q81 HydrophobicContact CB-CB 4.09Å; M78-Q81 HydrophobicContact CB-CG 4.19Å; M78-Q81 PolarHBondContact O-N 3.02Å; P79-Q81 PolarHBondContact O-N 3.44Å; P79-Q81 VanDerWaalsContact O-N 3.16Å; Q81-R83 VanDerWaalsContact C-N 3.26Å; Q81-R83 PolarHBondContact O-N 3.03Å; Q81-R83 VanDerWaalsContact O-N 3.08Å; Q81-T84 WeakPolarHBondContact O-CA 3.46Å; Q81-T84 WeakPolarHBondContact O-CB 3.45Å; Q81-T84 PolarHBondContact O-N 2.9Å; Q81-I85 WeakPolarHBondContact O-CG1 3.3Å; Q81-I85 PolarHBondContact O-N 3.17Å
82W95.4Very high94.3Very high35 Ų3556.5 Ų56.513%0.13330%0.3CS..Hα-helixtrans-56-32.7-171-55.1112.9000115.3L71 T80 T84 I85 A86 A93 C96 L97 Y100L71-W82 HydrophobicContact CD1-CZ3 4.01Å; T80-W82 VanDerWaalsContact C-N 3.3Å; T80-W82 PolarHBondContact O-N 3.36Å; W82-T84 VanDerWaalsContact C-N 3.3Å; W82-T84 PolarHBondContact O-N 3.07Å; W82-I85 HydrophobicContact CE3-CD1 4.03Å; W82-I85 HydrophobicContact CZ3-CD1 4.09Å; W82-I85 PolarHBondContact O-N 3.01Å; W82-A86 WeakPolarHBondContact O-CB 3.11Å; W82-A86 PolarHBondContact O-N 3.21Å; W82-A93 HydrophobicContact CB-CB 4.1Å; W82-C96 HydrophobicContact CE3-CB 4.06Å; W82-L97 HydrophobicContact CD2-CB 4.2Å; W82-L97 HydrophobicContact CD2-CD1 4.47Å; W82-L97 HydrophobicContact CG-CB 4.31Å; W82-L97 HydrophobicContact CZ2-CD1 3.96Å; W82-Y100 AromaticContact CH2-CD1 3.49Å; W82-Y100 HydrophobicContact CH2-CD1 3.49Å; W82-Y100 VanDerWaalsContact CH2-CD1 3.49Å; W82-Y100 AromaticContact CH2-CD2 3.86Å; W82-Y100 HydrophobicContact CH2-CD2 3.86Å; W82-Y100 HydrophobicContact CH2-CE1 4.04Å; W82-Y100 HydrophobicContact CH2-CE2 4.37Å; W82-Y100 AromaticContact CH2-CG 3.37Å; W82-Y100 HydrophobicContact CH2-CG 3.37Å; W82-Y100 AromaticContact CZ2-CD1 3.69Å; W82-Y100 HydrophobicContact CZ2-CD1 3.69Å; W82-Y100 HydrophobicContact CZ2-CE1 4.09Å; W82-Y100 HydrophobicContact CZ2-CG 4.07Å; W82-Y100 HydrophobicContact CZ3-CG 4.21Å
83R94.8Very high94.4Very high213 Ų21357.2 Ų57.280%0.80431%0.308SS*.Hα-helixtrans-69.1-26.2175.7-66.9-176.8-177.4-99.8-6.1113.3Q81 P87 A93Q81-R83 VanDerWaalsContact C-N 3.26Å; Q81-R83 PolarHBondContact O-N 3.03Å; Q81-R83 VanDerWaalsContact O-N 3.08Å; R83-P87 VanDerWaalsContact O-CD 3.27Å; R83-P87 WeakPolarHBondContact O-CD 3.32Å; R83-A93 HydrophobicContact CG-CB 4.42Å
84T95.8Very high94.4Very high69 Ų6957.7 Ų57.742%0.42331%0.314SS..Hα-helixtrans-85.2-38175.8-460000111M78 Q81 W82 I88M78-T84 HydrophobicContact CE-CG2 4.27Å; M78-T84 HydrophobicContact SD-CG2 3.93Å; Q81-T84 WeakPolarHBondContact O-CA 3.46Å; Q81-T84 WeakPolarHBondContact O-CB 3.45Å; Q81-T84 PolarHBondContact O-N 2.9Å; W82-T84 VanDerWaalsContact C-N 3.3Å; W82-T84 PolarHBondContact O-N 3.07Å; T84-I88 WeakPolarHBondContact O-CD1 3.46Å
85I96Very high94.4Very high0 Ų058.1 Ų58.10%032%0.316CS..Hα-helixtrans-71.2-43.5-179.3-63.4169.1000111.6L71 L74 M78 Q81 W82 I88 V89L71-I85 HydrophobicContact CD1-CG2 4.15Å; L74-I85 HydrophobicContact CB-CG1 4.19Å; L74-I85 HydrophobicContact CB-CG2 3.93Å; L74-I85 HydrophobicContact CD1-CG2 4.12Å; M78-I85 HydrophobicContact CE-CG1 4.09Å; Q81-I85 WeakPolarHBondContact O-CG1 3.3Å; Q81-I85 PolarHBondContact O-N 3.17Å; W82-I85 HydrophobicContact CE3-CD1 4.03Å; W82-I85 HydrophobicContact CZ3-CD1 4.09Å; W82-I85 PolarHBondContact O-N 3.01Å; I85-I88 WeakPolarHBondContact O-CB 3.34Å; I85-I88 PolarHBondContact O-N 3.16Å; I85-V89 HydrophobicContact CG2-CG2 3.77Å; I85-V89 PolarHBondContact O-N 3.44Å; I85-V89 VanDerWaalsContact O-N 3.11Å
86A94.9Very high94.5Very high6 Ų657.8 Ų57.85%0.0531%0.313CS..Hα-helixtrans-52.5-48.6-173.200000115.4W82 I88 V89 G90 R91 A93W82-A86 WeakPolarHBondContact O-CB 3.11Å; W82-A86 PolarHBondContact O-N 3.21Å; A86-I88 PolarHBondContact O-N 2.89Å; A86-V89 PolarHBondContact O-N 3.18Å; A86-G90 PolarHBondContact O-N 3.35Å; A86-R91 CarbonylContact C-O 3.54Å; A86-R91 VanDerWaalsContact CB-O 3.27Å; A86-R91 WeakPolarHBondContact CB-O 3.39Å; A86-R91 PolarHBondContact O-N 2.82Å; A86-A93 HydrophobicContact CB-CB 4.07Å
87P94.9Very high94.5Very high104 Ų10456.8 Ų56.868%0.67531%0.311SS*.Hα-helixtrans-60.5-27.9175.7-25.135.2000114.6R83R83-P87 VanDerWaalsContact O-CD 3.27Å; R83-P87 WeakPolarHBondContact O-CD 3.32Å
88I94.6Very high94.5Very high88 Ų8857.9 Ų57.945%0.45131%0.313SS..Hα-helixtrans-82.1-34.6-177.9-51.5172.3000110.9L74 M78 T84 I85 A86L74-I88 HydrophobicContact CD1-CB 3.9Å; L74-I88 HydrophobicContact CD1-CG2 3.67Å; M78-I88 HydrophobicContact CE-CD1 4.22Å; T84-I88 WeakPolarHBondContact O-CD1 3.46Å; I85-I88 WeakPolarHBondContact O-CB 3.34Å; I85-I88 PolarHBondContact O-N 3.16Å; A86-I88 PolarHBondContact O-N 2.89Å
89V93.9Very high94.6Very high5 Ų558.2 Ų58.23%0.0331%0.312CS..Hα-helixtrans-77.1-33.2173.7-179.30000111.4W63 E67 K70 L71 L74 I85 A86 R91W63-V89 HydrophobicContact CH2-CG1 4.17Å; W63-V89 HydrophobicContact CZ3-CG1 3.8Å; E67-V89 HydrophobicContact CB-CG1 4.5Å; K70-V89 HydrophobicContact CD-CG2 4.41Å; L71-V89 HydrophobicContact CD1-CG2 4.43Å; L74-V89 HydrophobicContact CD1-CG2 3.95Å; I85-V89 HydrophobicContact CG2-CG2 3.77Å; I85-V89 PolarHBondContact O-N 3.44Å; I85-V89 VanDerWaalsContact O-N 3.11Å; A86-V89 PolarHBondContact O-N 3.18Å; V89-R91 HydrophobicContact CG1-CB 4.37Å; V89-R91 HydrophobicContact CG1-CG 4.03Å
90G93.7Very high94.6Very high35 Ų3556.4 Ų56.436%0.36130%0.295SS..THydrogen-bonded Turntrans85.830-176.200000113.6A86A86-G90 PolarHBondContact O-N 3.35Å
91R95Very high94.6Very high16 Ų1654.4 Ų54.46%0.0628%0.277CS..SBendtrans-131.1169.5178.2-63.6-66.8-174.2145.59.2109.1K59 T61 E62 W63 E67 A86 V89 Q95K59-R91 PolarHBondContact O-NH1 3.49Å; T61-R91 PolarHBondContact O-NH1 3.09Å; T61-R91 PolarHBondContact O-NH2 3.02Å; T61-R91 PolarHBondContact OG1-NH2 2.79Å; E62-R91 PolarHBondContact O-NH2 2.87Å; W63-R91 HydrophobicContact CH2-CB 4.01Å; W63-R91 HydrophobicContact CH2-CG 3.73Å; W63-R91 HydrophobicContact CZ2-CB 4.23Å; W63-R91 HydrophobicContact CZ2-CG 3.96Å; W63-R91 HydrophobicContact CZ3-CG 4.14Å; E67-R91 IonicContact OE1-NE 3.7Å; E67-R91 IonicContact OE1-NH2 3.31Å; E67-R91 IonicContact OE2-CZ 3.81Å; E67-R91 VanDerWaalsContact OE2-CZ 3.3Å; E67-R91 IonicContact OE2-NE 3.88Å; E67-R91 PolarHBondContact OE2-NE 3.32Å; E67-R91 IonicContact OE2-NH2 2.84Å; E67-R91 PolarHBondContact OE2-NH2 2.8Å; A86-R91 CarbonylContact C-O 3.54Å; A86-R91 VanDerWaalsContact CB-O 3.27Å; A86-R91 WeakPolarHBondContact CB-O 3.39Å; A86-R91 PolarHBondContact O-N 2.82Å; V89-R91 HydrophobicContact CG1-CB 4.37Å; V89-R91 HydrophobicContact CG1-CG 4.03Å; R91-Q95 HydrophobicContact CB-CB 4.36Å
92T95.7Very high94.4Very high18 Ų1855.6 Ų55.611%0.1128%0.279CS..  trans-77156175.868.40000111.6I58 S94 Q95 C96I58-T92 HydrophobicContact CB-CG2 4.48Å; I58-T92 HydrophobicContact CD1-CG2 4.14Å; I58-T92 HydrophobicContact CG1-CG2 4.01Å; I58-T92 HydrophobicContact CG2-CG2 3.71Å; T92-S94 PolarHBondContact O-N 3.13Å; T92-Q95 PolarHBondContact O-N 2.88Å; T92-Q95 VanDerWaalsContact O-N 3.16Å; T92-Q95 VanDerWaalsContact OG1-CG 3.26Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.25Å; T92-Q95 PolarHBondContact OG1-N 2.91Å; T92-Q95 PolarHBondContact OG1-OE1 2.94Å; T92-C96 PolarHBondContact O-N 3.36Å; T92-C96 PolarHBondContact O-SG 2.82Å; T92-C96 VanDerWaalsContact O-SG 3.38Å
93A95.4Very high94.2Very high29 Ų2955 Ų5524%0.2428%0.278CS..Hα-helixtrans-57.5-36.9179.900000112.8W82 R83 A86 C96 L97W82-A93 HydrophobicContact CB-CB 4.1Å; R83-A93 HydrophobicContact CG-CB 4.42Å; A86-A93 HydrophobicContact CB-CB 4.07Å; A93-C96 PolarHBondContact O-N 2.87Å; A93-L97 PolarHBondContact O-N 3.03Å
94S93.5Very high93.9Very high36 Ų3647.3 Ų47.325%0.25225%0.252SS..Hα-helixtrans-69.6-43177.2-410000112T92 C96 L97 E98 T135T92-S94 PolarHBondContact O-N 3.13Å; S94-C96 VanDerWaalsContact C-N 3.34Å; S94-C96 PolarHBondContact O-N 3.4Å; S94-L97 PolarHBondContact O-N 3.44Å; S94-E98 WeakPolarHBondContact O-CB 3.49Å; S94-E98 PolarHBondContact O-N 3.37Å; S94-T135 VanDerWaalsContact CB-CG2 3.49Å; S94-T135 VanDerWaalsContact OG-CG2 3.26Å; S94-T135 WeakPolarHBondContact OG-CG2 3.27Å
95Q95.1Very high93.4Very high28 Ų2846.4 Ų46.413%0.13125%0.245CC..Hα-helixtrans-60.3-42.8173-75.3173.9-26.900111.6K59 W63 R91 T92 R99K59-Q95 PolarHBondContact O-NE2 2.88Å; K59-Q95 VanDerWaalsContact O-NE2 3.1Å; W63-Q95 HydrophobicContact CZ2-CB 4.16Å; W63-Q95 WeakPolarHBondContact CZ2-O 3.45Å; R91-Q95 HydrophobicContact CB-CB 4.36Å; T92-Q95 PolarHBondContact O-N 2.88Å; T92-Q95 VanDerWaalsContact O-N 3.16Å; T92-Q95 VanDerWaalsContact OG1-CG 3.26Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.25Å; T92-Q95 PolarHBondContact OG1-N 2.91Å; T92-Q95 PolarHBondContact OG1-OE1 2.94Å; Q95-R99 VanDerWaalsContact O-CB 3.3Å; Q95-R99 WeakPolarHBondContact O-CB 3.36Å; Q95-R99 PolarHBondContact O-N 3.42Å
96C95Very high93Very high0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-62.9-42.2177.8-68.80000112.5L71 W82 T92 A93 S94 Y100L71-C96 HydrophobicContact CD1-CB 3.81Å; W82-C96 HydrophobicContact CE3-CB 4.06Å; T92-C96 PolarHBondContact O-N 3.36Å; T92-C96 PolarHBondContact O-SG 2.82Å; T92-C96 VanDerWaalsContact O-SG 3.38Å; A93-C96 PolarHBondContact O-N 2.87Å; S94-C96 VanDerWaalsContact C-N 3.34Å; S94-C96 PolarHBondContact O-N 3.4Å; C96-Y100 VanDerWaalsContact O-CB 3.27Å; C96-Y100 WeakPolarHBondContact O-CB 3.2Å; C96-Y100 PolarHBondContact O-N 3Å
97L93.8Very high92.6Very high58 Ų5852.9 Ų52.930%0.30427%0.271SS..Hα-helixtrans-65.1-51.7176.8172.859.1000111.3W82 A93 S94 R99 Y100 E101W82-L97 HydrophobicContact CD2-CB 4.2Å; W82-L97 HydrophobicContact CD2-CD1 4.47Å; W82-L97 HydrophobicContact CG-CB 4.31Å; W82-L97 HydrophobicContact CZ2-CD1 3.96Å; A93-L97 PolarHBondContact O-N 3.03Å; S94-L97 PolarHBondContact O-N 3.44Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.8Å; L97-Y100 PolarHBondContact O-N 2.95Å; L97-Y100 VanDerWaalsContact O-N 3.11Å; L97-E101 HydrophobicContact CD1-CG 4.03Å; L97-E101 WeakPolarHBondContact CD1-OE1 3.18Å; L97-E101 PolarHBondContact O-N 2.81Å
98E92.7Very high92.1Very high135 Ų13550.6 Ų50.663%0.63126%0.255SS*.Hα-helixtrans-58.2-41.4179.2-177.1179.5-172.900111.7S94 Y102S94-E98 WeakPolarHBondContact O-CB 3.49Å; S94-E98 PolarHBondContact O-N 3.37Å; E98-Y102 WeakPolarHBondContact O-CB 3.35Å; E98-Y102 PolarHBondContact O-N 3.49Å
99R94.1Very high91.3Very high50 Ų5049.5 Ų49.519%0.18926%0.255CS..Hα-helixtrans-67.4-40.6175.6-176.260.5169.2-172.3-3.1112.6W63 D68 L71 Q95 L97 Y102 L103W63-R99 HydrophobicContact CD2-CB 4.13Å; W63-R99 HydrophobicContact CD2-CG 3.59Å; W63-R99 HydrophobicContact CE3-CG 3.86Å; W63-R99 HydrophobicContact CG-CG 4.03Å; W63-R99 HydrophobicContact CH2-CB 3.96Å; W63-R99 HydrophobicContact CH2-CG 4.16Å; W63-R99 HydrophobicContact CZ2-CB 3.49Å; W63-R99 VanDerWaalsContact CZ2-CB 3.49Å; W63-R99 HydrophobicContact CZ2-CG 3.89Å; W63-R99 HydrophobicContact CZ3-CB 4.45Å; W63-R99 HydrophobicContact CZ3-CG 4.14Å; D68-R99 IonicContact OD1-CZ 2.63Å; D68-R99 IonicContact OD1-NE 3.41Å; D68-R99 PolarHBondContact OD1-NE 3.5Å; D68-R99 IonicContact OD1-NH2 3.57Å; D68-R99 PolarHBondContact OD1-NH2 3.1Å; D68-R99 IonicContact OD2-CZ 3.33Å; D68-R99 IonicContact OD2-NE 3.05Å; D68-R99 IonicContact OD2-NH2 2.78Å; D68-R99 PolarHBondContact OD2-NH2 3.02Å; L71-R99 HydrophobicContact CD2-CB 3.86Å; L71-R99 HydrophobicContact CD2-CG 3.72Å; Q95-R99 VanDerWaalsContact O-CB 3.3Å; Q95-R99 WeakPolarHBondContact O-CB 3.36Å; Q95-R99 PolarHBondContact O-N 3.42Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.8Å; R99-Y102 PolarHBondContact O-N 2.97Å; R99-L103 HydrophobicContact CG-CD1 4.11Å; R99-L103 HydrophobicContact CG-CG 4.43Å; R99-L103 WeakPolarHBondContact O-CB 3.5Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.25Å; R99-L103 PolarHBondContact O-N 2.98Å
100Y94.5Very high90.7Very high48 Ų4854.3 Ų54.319%0.18828%0.275CS..Hα-helixtrans-64.2-46.3178.4173.7-99.6000111.6L72 S75 W82 C96 L97 L103 L104L72-Y100 HydrophobicContact CD2-CD2 4.14Å; L72-Y100 HydrophobicContact CD2-CE2 4.26Å; S75-Y100 WeakPolarHBondContact OG-CE2 3.5Å; W82-Y100 AromaticContact CH2-CD1 3.49Å; W82-Y100 HydrophobicContact CH2-CD1 3.49Å; W82-Y100 VanDerWaalsContact CH2-CD1 3.49Å; W82-Y100 AromaticContact CH2-CD2 3.86Å; W82-Y100 HydrophobicContact CH2-CD2 3.86Å; W82-Y100 HydrophobicContact CH2-CE1 4.04Å; W82-Y100 HydrophobicContact CH2-CE2 4.37Å; W82-Y100 AromaticContact CH2-CG 3.37Å; W82-Y100 HydrophobicContact CH2-CG 3.37Å; W82-Y100 AromaticContact CZ2-CD1 3.69Å; W82-Y100 HydrophobicContact CZ2-CD1 3.69Å; W82-Y100 HydrophobicContact CZ2-CE1 4.09Å; W82-Y100 HydrophobicContact CZ2-CG 4.07Å; W82-Y100 HydrophobicContact CZ3-CG 4.21Å; C96-Y100 VanDerWaalsContact O-CB 3.27Å; C96-Y100 WeakPolarHBondContact O-CB 3.2Å; C96-Y100 PolarHBondContact O-N 3Å; L97-Y100 PolarHBondContact O-N 2.95Å; L97-Y100 VanDerWaalsContact O-N 3.11Å; Y100-L103 PolarHBondContact O-N 2.86Å; Y100-L104 HydrophobicContact CD1-CD1 4.08Å; Y100-L104 HydrophobicContact CD1-CG 4.49Å; Y100-L104 HydrophobicContact CE1-CD1 3.4Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.4Å; Y100-L104 HydrophobicContact CE1-CG 4.12Å; Y100-L104 HydrophobicContact CE2-CD1 4.38Å; Y100-L104 HydrophobicContact CE2-CG 4.37Å; Y100-L104 PolarHBondContact O-N 3.33Å
101E91.7Very high89.9Confident75 Ų7556.3 Ų56.335%0.3529%0.289SS..Hα-helixtrans-58.9-48.2174.6-71-179.5173.800110.8L97 L103 L104 D105L97-E101 HydrophobicContact CD1-CG 4.03Å; L97-E101 WeakPolarHBondContact CD1-OE1 3.18Å; L97-E101 PolarHBondContact O-N 2.81Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.18Å; E101-L104 PolarHBondContact O-N 2.92Å; E101-L104 VanDerWaalsContact O-N 3.13Å; E101-D105 WeakPolarHBondContact O-CB 3.44Å; E101-D105 VanDerWaalsContact O-CG 3.25Å; E101-D105 PolarHBondContact O-N 2.9Å
102Y91.3Very high88.7Confident120 Ų12060.8 Ų60.847%0.47131%0.314SS..Hα-helixtrans-57-39.1174.9174.9-95.2000113.7E98 R99 R106E98-Y102 WeakPolarHBondContact O-CB 3.35Å; E98-Y102 PolarHBondContact O-N 3.49Å; R99-Y102 PolarHBondContact O-N 2.97Å; Y102-R106 WeakPolarHBondContact O-CB 3.45Å; Y102-R106 PolarHBondContact O-N 3.49Å
103L91.6Very high87.2Confident23 Ų2363.2 Ų63.212%0.1234%0.342CS..Hα-helixtrans-69.9-37.6177.3-72.9171.6000112.2D68 L71 L72 R99 Y100 E101 A107D68-L103 HydrophobicContact CB-CD1 4.17Å; L71-L103 HydrophobicContact CD2-CD1 4.4Å; L72-L103 HydrophobicContact CD1-CD1 4.35Å; L72-L103 HydrophobicContact CD2-CB 4.5Å; L72-L103 HydrophobicContact CD2-CD1 4.29Å; L72-L103 HydrophobicContact CG-CD1 4.21Å; R99-L103 HydrophobicContact CG-CD1 4.11Å; R99-L103 HydrophobicContact CG-CG 4.43Å; R99-L103 WeakPolarHBondContact O-CB 3.5Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.25Å; R99-L103 PolarHBondContact O-N 2.98Å; Y100-L103 PolarHBondContact O-N 2.86Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.18Å; L103-A107 PolarHBondContact O-N 3.43Å; L103-A107 VanDerWaalsContact O-N 3.17Å
104L89.6Confident85.6Confident50 Ų5068.2 Ų68.226%0.26236%0.364SS..Hα-helixtrans-67.7-48.2173.8-71.3-174.3000111.8Y100 E101 R106 A107 V108Y100-L104 HydrophobicContact CD1-CD1 4.08Å; Y100-L104 HydrophobicContact CD1-CG 4.49Å; Y100-L104 HydrophobicContact CE1-CD1 3.4Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.4Å; Y100-L104 HydrophobicContact CE1-CG 4.12Å; Y100-L104 HydrophobicContact CE2-CD1 4.38Å; Y100-L104 HydrophobicContact CE2-CG 4.37Å; Y100-L104 PolarHBondContact O-N 3.33Å; E101-L104 PolarHBondContact O-N 2.92Å; E101-L104 VanDerWaalsContact O-N 3.13Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.34Å; L104-A107 WeakPolarHBondContact O-CA 3.44Å; L104-A107 WeakPolarHBondContact O-CB 3.47Å; L104-A107 PolarHBondContact O-N 2.82Å; L104-V108 WeakPolarHBondContact O-CG2 3.4Å; L104-V108 PolarHBondContact O-N 2.97Å
105D85.4Confident83.8Confident50 Ų5072.4 Ų72.427%0.26739%0.388SS..Hα-helixtrans-62.4-40.7-178.8-64.4-30.7000110.4E101 A107 V108 S109 R122E101-D105 WeakPolarHBondContact O-CB 3.44Å; E101-D105 VanDerWaalsContact O-CG 3.25Å; E101-D105 PolarHBondContact O-N 2.9Å; D105-A107 VanDerWaalsContact C-N 3.27Å; D105-A107 PolarHBondContact O-N 3.45Å; D105-V108 PolarHBondContact O-N 2.91Å; D105-S109 WeakPolarHBondContact O-CB 3.47Å; D105-S109 PolarHBondContact O-N 2.78Å; D105-S109 PolarHBondContact O-OG 2.74Å; D105-R122 VanDerWaalsContact CG-NH1 3.34Å; D105-R122 IonicContact OD1-CZ 2.77Å; D105-R122 IonicContact OD1-NH1 2.61Å; D105-R122 PolarHBondContact OD1-NH1 3.25Å; D105-R122 VanDerWaalsContact OD1-NH1 3.14Å; D105-R122 IonicContact OD1-NH2 3.14Å; D105-R122 PolarHBondContact OD1-NH2 3.02Å; D105-R122 IonicContact OD2-CZ 3.73Å; D105-R122 IonicContact OD2-NH1 2.7Å; D105-R122 PolarHBondContact OD2-NH1 2.86Å; D105-R122 IonicContact OD2-NH2 2.73Å
106R86.9Confident81.9Confident131 Ų13180 Ų8049%0.49442%0.423SS..Hα-helixtrans-62.7-30172.2-172.2178.5-175.7-152.51.4113.5Y102 L104 K110Y102-R106 WeakPolarHBondContact O-CB 3.45Å; Y102-R106 PolarHBondContact O-N 3.49Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.34Å; R106-K110 WeakPolarHBondContact O-CB 3.43Å; R106-K110 WeakPolarHBondContact O-CG 3.11Å; R106-K110 PolarHBondContact O-N 2.75Å
107A86.1Confident79.9Confident12 Ų1288.7 Ų88.710%0.09946%0.464CS..Hα-helixtrans-75.7-42.6175.300000111.6L103 L104 D105 K110 A111 M360 A363L103-A107 PolarHBondContact O-N 3.43Å; L103-A107 VanDerWaalsContact O-N 3.17Å; L104-A107 WeakPolarHBondContact O-CA 3.44Å; L104-A107 WeakPolarHBondContact O-CB 3.47Å; L104-A107 PolarHBondContact O-N 2.82Å; D105-A107 VanDerWaalsContact C-N 3.27Å; D105-A107 PolarHBondContact O-N 3.45Å; A107-K110 PolarHBondContact O-N 3.05Å; A107-A111 PolarHBondContact O-N 2.89Å; A107-A111 VanDerWaalsContact O-N 3.12Å; A107-M360 HydrophobicContact CB-CE 4.26Å; A107-A363 HydrophobicContact CB-CB 4.11Å
108V84.5Confident77.9Confident56 Ų5690 Ų9034%0.33948%0.484SS..Hα-helixtrans-64.3-48.7176.1175.40000111.1L104 D105 K110 A111 D112 L367L104-V108 WeakPolarHBondContact O-CG2 3.4Å; L104-V108 PolarHBondContact O-N 2.97Å; D105-V108 PolarHBondContact O-N 2.91Å; V108-K110 PolarHBondContact O-N 2.72Å; V108-A111 PolarHBondContact O-N 2.85Å; V108-D112 PolarHBondContact O-N 3.27Å; V108-L367 HydrophobicContact CG2-CD1 3.98Å
109S78.8Confident76.1Confident64 Ų6491.5 Ų91.545%0.44850%0.496SS..Hα-helixtrans-59.4-32.7177.7-59.10000113D105 G113D105-S109 WeakPolarHBondContact O-CB 3.47Å; D105-S109 PolarHBondContact O-N 2.78Å; D105-S109 PolarHBondContact O-OG 2.74Å; S109-G113 PolarHBondContact O-N 3.03Å
110K79.9Confident74.5Confident106 Ų10691.6 Ų91.646%0.46150%0.5SS..Hα-helixtrans-71.9-31.6172.5-85.1-179.2168.3-167.20113.3R106 A107 V108 D357 M360R106-K110 WeakPolarHBondContact O-CB 3.43Å; R106-K110 WeakPolarHBondContact O-CG 3.11Å; R106-K110 PolarHBondContact O-N 2.75Å; A107-K110 PolarHBondContact O-N 3.05Å; V108-K110 PolarHBondContact O-N 2.72Å; K110-D357 IonicContact NZ-OD2 3.02Å; K110-M360 HydrophobicContact CB-CE 4.05Å; K110-M360 HydrophobicContact CD-CE 3.39Å; K110-M360 HydrophobicContact CD-SD 3.57Å; K110-M360 VanDerWaalsContact CD-SD 3.57Å; K110-M360 HydrophobicContact CG-CE 4.4Å; K110-M360 PolarHBondContact NZ-SD 2.91Å
111A76.8Confident73.1Confident78 Ų7895.3 Ų95.365%0.64553%0.53SS*.Hα-helixtrans-79.4-44.4-178.200000112.3A107 V108A107-A111 PolarHBondContact O-N 2.89Å; A107-A111 VanDerWaalsContact O-N 3.12Å; V108-A111 PolarHBondContact O-N 2.85Å
112D69.8Low71.9Confident110 Ų11098.1 Ų98.159%0.58854%0.537SS*.Hα-helixtrans-85.4-10.8-175.9-71.1-26.2000113.5V108 L114V108-D112 PolarHBondContact O-N 3.27Å; D112-L114 HydrophobicContact CB-CD1 4.33Å; D112-L114 PolarHBondContact O-N 3.48Å
113G64.4Low70.8Confident68 Ų6899.2 Ų99.270%0.70155%0.545SS*.  trans62.814.6175.800000115S109S109-G113 PolarHBondContact O-N 3.03Å
114L61.4Low69.7Low134 Ų134101.3 Ų101.370%0.70256%0.556SS**  trans-92.3141.1-172.8-83.4164.9000112.6D112D112-L114 HydrophobicContact CB-CD1 4.33Å; D112-L114 PolarHBondContact O-N 3.48Å
115V56.8Low69Low124 Ų124108.5 Ų108.575%0.75258%0.579SS**  trans-74.3146.8179.5-179.30000110.7E117V115-E117 VanDerWaalsContact C-N 3.27Å; V115-E117 PolarHBondContact O-N 3.1Å
116E55.2Low68.4Low188 Ų188112.9 Ų112.988%0.87961%0.61SS**SBendtrans-69.547.7-165.7-54.9-179.1131.700116.5
117E53.1Low67.8Low182 Ų182110.6 Ų110.685%0.8563%0.627SS**  trans-12639.3-172.6-65-165.1153.600115.6V115V115-E117 VanDerWaalsContact C-N 3.27Å; V115-E117 PolarHBondContact O-N 3.1Å
118A52.1Low67.7Low87 Ų87115.6 Ų115.672%0.71965%0.649SS**SBendtrans-110.2137.5162.700000110.8D120A118-D120 PolarHBondContact O-N 3.41Å
119D54.1Low67.5Low165 Ų165119.6 Ų119.688%0.88267%0.667SS**  trans-60.694.6173.4-93.1-34.6000110P121D119-P121 VanDerWaalsContact O-CD 3.28Å; D119-P121 WeakPolarHBondContact O-CD 3.29Å
120D61.5Low67.7Low53 Ų53118.1 Ų118.128%0.28365%0.654SS.*  trans-54.7110.6178.1172.218.3000109.9A118 R122 K123A118-D120 PolarHBondContact O-N 3.41Å; D120-R122 PolarHBondContact O-N 3.12Å; D120-R122 WeakPolarHBondContact OD1-CG 3.48Å; D120-R122 PolarHBondContact OD1-N 3.29Å; D120-R122 IonicContact OD1-NE 3.69Å; D120-K123 HydrophobicContact CB-CD 4.08Å; D120-K123 HydrophobicContact CB-CG 4.26Å; D120-K123 WeakPolarHBondContact O-CB 3.48Å; D120-K123 PolarHBondContact O-N 1.92Å
121P64.8Low68Low126 Ų126118 Ų11882%0.81866%0.664SS**THydrogen-bonded Turntrans-68.9-5.9-16828.4-36.3000113.4D119D119-P121 VanDerWaalsContact O-CD 3.28Å; D119-P121 WeakPolarHBondContact O-CD 3.29Å
122R65.3Low68.3Low134 Ų134117.2 Ų117.251%0.50665%0.653SS.*THydrogen-bonded Turntrans-80.4-18.9173.7-52.4-179.1-153.8154.515.5112.8D105 D120 L124D105-R122 VanDerWaalsContact CG-NH1 3.34Å; D105-R122 IonicContact OD1-CZ 2.77Å; D105-R122 IonicContact OD1-NH1 2.61Å; D105-R122 PolarHBondContact OD1-NH1 3.25Å; D105-R122 VanDerWaalsContact OD1-NH1 3.14Å; D105-R122 IonicContact OD1-NH2 3.14Å; D105-R122 PolarHBondContact OD1-NH2 3.02Å; D105-R122 IonicContact OD2-CZ 3.73Å; D105-R122 IonicContact OD2-NH1 2.7Å; D105-R122 PolarHBondContact OD2-NH1 2.86Å; D105-R122 IonicContact OD2-NH2 2.73Å; D120-R122 PolarHBondContact O-N 3.12Å; D120-R122 WeakPolarHBondContact OD1-CG 3.48Å; D120-R122 PolarHBondContact OD1-N 3.29Å; D120-R122 IonicContact OD1-NE 3.69Å; R122-L124 PolarHBondContact O-N 3.4Å
123K69.2Low69.3Low143 Ų143112.6 Ų112.662%0.62263%0.629SS**SBendtrans-69.1128.4177.2-68.4173.8-175.9165.50109.6D120 R125D120-K123 HydrophobicContact CB-CD 4.08Å; D120-K123 HydrophobicContact CB-CG 4.26Å; D120-K123 WeakPolarHBondContact O-CB 3.48Å; D120-K123 PolarHBondContact O-N 1.92Å; K123-R125 PolarHBondContact O-N 3.37Å
124L68.8Low70.7Confident67 Ų67110.1 Ų110.135%0.35160%0.599SS.*PPolyproline II helixtrans-49.9127.6177.1-73.9163.2000110.4R122 E128 D130R122-L124 PolarHBondContact O-N 3.4Å; L124-E128 HydrophobicContact CD2-CB 4.12Å; L124-E128 HydrophobicContact CD2-CG 3.8Å; L124-D130 HydrophobicContact CD1-CB 3.9Å
125R73.3Confident72.2Confident201 Ų201105.2 Ų105.276%0.75858%0.575SS**PPolyproline II helixtrans-63.7142.2177.8-66.6-178.7178.9-173.9-0.7109.4K123 G127 E128K123-R125 PolarHBondContact O-N 3.37Å; R125-G127 PolarHBondContact O-N 2.97Å; R125-E128 PolarHBondContact N-OE2 3.11Å; R125-E128 WeakPolarHBondContact O-CB 2.95Å; R125-E128 PolarHBondContact O-N 2.97Å
126P74.5Confident73.9Confident142 Ų142103.7 Ų103.792%0.92256%0.558SS**THydrogen-bonded Turntrans-53.1112.3176.6-28.235.8000111.8
127G74.6Confident75.8Confident82 Ų8299 Ų9985%0.84554%0.544SS*.THydrogen-bonded Turntrans110.5-12.4-175.700000115.4R125R125-G127 PolarHBondContact O-N 2.97Å
128E82.6Confident77.7Confident118 Ų11891.6 Ų91.655%0.55151%0.514SS*.PPolyproline II helixtrans-75.6139.1174.3-167.1168.2-167.600111.6L124 R125L124-E128 HydrophobicContact CD2-CB 4.12Å; L124-E128 HydrophobicContact CD2-CG 3.8Å; R125-E128 PolarHBondContact N-OE2 3.11Å; R125-E128 WeakPolarHBondContact O-CB 2.95Å; R125-E128 PolarHBondContact O-N 2.97Å
129I80.5Confident79.7Confident140 Ų14095.1 Ų95.172%0.71851%0.508SS*.PPolyproline II helixtrans-84.7122.8177.1-54.9174000107.9
130D83.6Confident81.6Confident32 Ų3292.5 Ų92.517%0.17150%0.5CS..PPolyproline II helixtrans-48.4124.2172.7-172.7-11.1000111.7L124 C132 P133 K136L124-D130 HydrophobicContact CD1-CB 3.9Å; D130-C132 VanDerWaalsContact C-N 3.3Å; D130-C132 PolarHBondContact O-N 2.85Å; D130-C132 PolarHBondContact OD1-N 2.92Å; D130-P133 WeakPolarHBondContact O-CD 3.32Å; D130-K136 IonicContact OD1-NZ 3.09Å; D130-K136 VanDerWaalsContact OD2-CD 3.25Å; D130-K136 WeakPolarHBondContact OD2-CD 3.41Å; D130-K136 WeakPolarHBondContact OD2-CE 3.28Å; D130-K136 IonicContact OD2-NZ 3.54Å; D130-K136 PolarHBondContact OD2-NZ 3.07Å
131P84.9Confident83.1Confident104 Ų10493.9 Ų93.968%0.67551%0.508SS*.SBendtrans-72.7-19.6178.929-35.7000113.6
132C84.4Confident84.4Confident61 Ų6190.6 Ų90.641%0.41249%0.486SS..  trans-134.956.7-175.9-64.70000112.7D130 E134 T135D130-C132 VanDerWaalsContact C-N 3.3Å; D130-C132 PolarHBondContact O-N 2.85Å; D130-C132 PolarHBondContact OD1-N 2.92Å; C132-E134 PolarHBondContact O-N 2.85Å; C132-E134 VanDerWaalsContact O-N 3.08Å; C132-T135 HydrophobicContact CB-CG2 4.21Å; C132-T135 PolarHBondContact O-N 3.33Å; C132-T135 PolarHBondContact O-OG1 3.36Å
133P91.1Very high85.7Confident13 Ų1393.1 Ų93.18%0.08451%0.508CS..G310 helixtrans-63.7-17.6-179.329.5-36.2000112.9D130 T135 K136D130-P133 WeakPolarHBondContact O-CD 3.32Å; P133-T135 PolarHBondContact O-N 3.32Å; P133-K136 PolarHBondContact O-N 3.3Å
134E92.8Very high86.9Confident17 Ų1793.4 Ų93.48%0.07952%0.516CS..G310 helixtrans-62.3-22.9175.3-74.477.4-166.900114.7W11 Q45 A48 R49 E52 C132W11-E134 HydrophobicContact CZ2-CG 4.47Å; Q45-E134 WeakPolarHBondContact CA-OE1 3.46Å; Q45-E134 VanDerWaalsContact CB-OE1 3.23Å; Q45-E134 WeakPolarHBondContact CB-OE1 3.5Å; Q45-E134 VanDerWaalsContact CG-OE1 3.25Å; Q45-E134 WeakPolarHBondContact CG-OE1 3.49Å; A48-E134 HydrophobicContact CB-CB 4.27Å; A48-E134 HydrophobicContact CB-CG 3.81Å; R49-E134 HydrophobicContact CB-CB 4.45Å; R49-E134 HydrophobicContact CB-CG 4.04Å; R49-E134 WeakPolarHBondContact CD-O 3.27Å; R49-E134 PolarHBondContact NH1-O 2.89Å; E52-E134 WeakPolarHBondContact OE2-CB 3.24Å; C132-E134 PolarHBondContact O-N 2.85Å; C132-E134 VanDerWaalsContact O-N 3.08Å
135T92.9Very high87.9Confident31 Ų3193.6 Ų93.619%0.1952%0.516CS..G310 helixtrans-86.6-20.2-177.465.60000113.5E52 W53 S94 C132 P133E52-T135 WeakPolarHBondContact OE2-CG2 3.12Å; W53-T135 WeakPolarHBondContact CZ3-O 3.39Å; S94-T135 VanDerWaalsContact CB-CG2 3.49Å; S94-T135 VanDerWaalsContact OG-CG2 3.26Å; S94-T135 WeakPolarHBondContact OG-CG2 3.27Å; C132-T135 HydrophobicContact CB-CG2 4.21Å; C132-T135 PolarHBondContact O-N 3.33Å; C132-T135 PolarHBondContact O-OG1 3.36Å; P133-T135 PolarHBondContact O-N 3.32Å
136K92.7Very high88.7Confident92 Ų9287 Ų8740%0.450%0.496SS..SBendtrans-85.9153.9-170.5-68.9-174.6178.6164.40113.3R49 D130 P133R49-K136 PolarHBondContact NH1-O 3.49Å; R49-K136 PolarHBondContact NH2-O 2.66Å; D130-K136 IonicContact OD1-NZ 3.09Å; D130-K136 VanDerWaalsContact OD2-CD 3.25Å; D130-K136 WeakPolarHBondContact OD2-CD 3.41Å; D130-K136 WeakPolarHBondContact OD2-CE 3.28Å; D130-K136 IonicContact OD2-NZ 3.54Å; D130-K136 PolarHBondContact OD2-NZ 3.07Å; P133-K136 PolarHBondContact O-N 3.3Å
137P94.2Very high89.7Confident90 Ų9088.3 Ų88.358%0.58449%0.49SS*.PPolyproline II helixtrans-52.1145.2171.7-25.233.6000112.7W53W53-P137 HydrophobicContact CH2-CB 4.35Å; W53-P137 HydrophobicContact CH2-CG 3.82Å; W53-P137 HydrophobicContact CZ2-CB 4Å; W53-P137 HydrophobicContact CZ2-CG 3.99Å
138A94.7Very high90.5Very high26 Ų2688.2 Ų88.222%0.21547%0.47CS..PPolyproline II helixtrans-67.3144174.700000110.8W11 D16W11-A138 CarbonylContact O-C 3.59Å; W11-A138 WeakPolarHBondContact O-CA 3.47Å; D16-A138 WeakPolarHBondContact OD2-CB 3.29Å
139R93.8Very high91Very high161 Ų16182.7 Ų82.761%0.60844%0.444SS*.BIsolated β-bridgetrans-70.2132.8168.7-72.9-174.8176.7-150.6-0.4109.8V10 W11 N13V10-R139 HydrophobicContact CG1-CG 3.85Å; W11-R139 PolarHBondContact O-N 3.28Å; N13-R139 WeakPolarHBondContact CB-O 3.14Å; N13-R139 PolarHBondContact N-O 2.84Å
140P94.3Very high91.6Very high110 Ų11080.6 Ų80.671%0.71443%0.434SS*.PPolyproline II helixtrans-53.6149.1168.7-25.735.1000111.7
141D92.3Very high92.1Very high82 Ų8285.4 Ų85.444%0.43946%0.455SS..PPolyproline II helixtrans-66.7133.5174.836.6-51.9000111.3N13 T14N13-D141 PolarHBondContact ND2-OD1 3.48Å; T14-D141 HydrophobicContact CG2-CB 4.12Å
142P92.3Very high92.5Very high56 Ų5680.9 Ų80.936%0.36443%0.425SS..PPolyproline II helixtrans-68.9147.7173.630.7-34.3000110.2D144P142-D144 PolarHBondContact O-N 2.81Å
143I92.3Very high93Very high187 Ų18779.2 Ų79.296%0.95941%0.412SS*.SBendtrans-58.9-39179.6-60.8173.6000111
144D93.8Very high93.2Very high150 Ų15081.7 Ų81.780%0.80243%0.429SS*.SBendtrans-101.199.5170.9-164.622.9000108.1P142P142-D144 PolarHBondContact O-N 2.81Å
145M89.4Confident93.3Very high70 Ų7084.9 Ų84.935%0.34544%0.444SS..  trans-74.8139.2178-71.6-176.7-65.100110.4T14 E149 L150 L153T14-M145 HydrophobicContact CG2-SD 4.22Å; M145-E149 HydrophobicContact CB-CB 4.32Å; M145-L150 HydrophobicContact CE-CD1 4.44Å; M145-L153 HydrophobicContact CE-CD1 4.34Å; M145-L153 HydrophobicContact SD-CD1 3.85Å
146D92.1Very high93.5Very high62 Ų6283.5 Ų83.533%0.33244%0.436SS..  trans-67.7157.9176.656.448.1000112.2R12 D148 E149 L150R12-D146 IonicContact CZ-OD2 3.98Å; R12-D146 IonicContact NH1-OD1 2.67Å; R12-D146 IonicContact NH1-OD2 3.05Å; R12-D146 PolarHBondContact NH1-OD2 3.17Å; R12-D146 IonicContact NH2-OD2 3.76Å; R12-D146 PolarHBondContact NH2-OD2 2.92Å; D146-D148 PolarHBondContact O-N 3.44Å; D146-D148 WeakPolarHBondContact OD1-CB 3.23Å; D146-E149 PolarHBondContact O-N 3.43Å; D146-E149 VanDerWaalsContact O-N 3.12Å; D146-E149 WeakPolarHBondContact OD1-CB 2.95Å; D146-E149 WeakPolarHBondContact OD1-CG 3.45Å; D146-E149 PolarHBondContact OD1-N 3.47Å; D146-L150 PolarHBondContact O-N 2.86Å
147E94.2Very high93.7Very high171 Ų17187.2 Ų87.280%0.79945%0.448SS*.Hα-helixtrans-58.9-35.4-178.9-174175-163.100111.5L150 E151E147-L150 PolarHBondContact O-N 3.31Å; E147-E151 VanDerWaalsContact O-CB 3.27Å; E147-E151 WeakPolarHBondContact O-CB 3.44Å; E147-E151 PolarHBondContact O-N 3.26Å
148D91.7Very high93.8Very high79 Ų7986 Ų8642%0.42245%0.445SS..Hα-helixtrans-56.7-49.1173.4-94.616.9000111.8H39 D146 M152H39-D148 IonicContact CE1-OD2 3.88Å; H39-D148 PolarHBondContact CE1-OD2 3.37Å; H39-D148 IonicContact ND1-OD2 3.86Å; D146-D148 PolarHBondContact O-N 3.44Å; D146-D148 WeakPolarHBondContact OD1-CB 3.23Å; D148-M152 VanDerWaalsContact O-CB 3.24Å; D148-M152 WeakPolarHBondContact O-CB 3.48Å; D148-M152 PolarHBondContact O-N 2.81Å
149E92.3Very high93.8Very high3 Ų388.5 Ų88.51%0.01445%0.449CS..Hα-helixtrans-66-43.4176.4-84.6-174.3152.600112.9R12 T14 M145 D146 M152 L153R12-E149 WeakPolarHBondContact CD-OE1 3.26Å; R12-E149 IonicContact CZ-OE1 3.55Å; R12-E149 IonicContact NE-OE1 3.97Å; R12-E149 IonicContact NH1-OE1 2.79Å; R12-E149 PolarHBondContact NH1-OE1 3.35Å; R12-E149 IonicContact NH1-OE2 3.3Å; R12-E149 PolarHBondContact NH1-OE2 3.37Å; T14-E149 PolarHBondContact OG1-OE1 3.42Å; M145-E149 HydrophobicContact CB-CB 4.32Å; D146-E149 PolarHBondContact O-N 3.43Å; D146-E149 VanDerWaalsContact O-N 3.12Å; D146-E149 WeakPolarHBondContact OD1-CB 2.95Å; D146-E149 WeakPolarHBondContact OD1-CG 3.45Å; D146-E149 PolarHBondContact OD1-N 3.47Å; E149-M152 HydrophobicContact CG-CE 4.47Å; E149-M152 PolarHBondContact O-N 3.26Å; E149-L153 WeakPolarHBondContact O-CB 3.27Å; E149-L153 VanDerWaalsContact O-CG 3.29Å; E149-L153 WeakPolarHBondContact O-CG 3.33Å; E149-L153 PolarHBondContact O-N 3.15Å
150L93.8Very high93.8Very high96 Ų9683.2 Ų83.250%0.50343%0.433SS..Hα-helixtrans-67.9-40.4-179.3-172.362.3000111.2M145 D146 E147 L153 S154M145-L150 HydrophobicContact CE-CD1 4.44Å; D146-L150 PolarHBondContact O-N 2.86Å; E147-L150 PolarHBondContact O-N 3.31Å; L150-L153 PolarHBondContact O-N 2.83Å; L150-S154 WeakPolarHBondContact O-CB 3.37Å; L150-S154 PolarHBondContact O-N 3.08Å
151E94.2Very high93.9Very high132 Ų13281.8 Ų81.862%0.61743%0.43SS*.Hα-helixtrans-61.8-49.8172.4-172.2176.7-156.100110E147 L153 S154 E155E147-E151 VanDerWaalsContact O-CB 3.27Å; E147-E151 WeakPolarHBondContact O-CB 3.44Å; E147-E151 PolarHBondContact O-N 3.26Å; E151-L153 PolarHBondContact O-N 3.25Å; E151-S154 PolarHBondContact O-N 3.28Å; E151-S154 VanDerWaalsContact O-N 3.11Å; E151-S154 PolarHBondContact O-OG 3Å; E151-E155 PolarHBondContact O-N 3.36Å
152M93.3Very high94.1Very high10 Ų1081 Ų815%0.04943%0.426CS..Hα-helixtrans-55.3-47.1176.7178.8-176.865.800112.2E15 L38 D148 E149 E155 A156E15-M152 HydrophobicContact CG-CE 4.12Å; E15-M152 HydrophobicContact CG-SD 4.49Å; L38-M152 HydrophobicContact CD2-SD 3.67Å; D148-M152 VanDerWaalsContact O-CB 3.24Å; D148-M152 WeakPolarHBondContact O-CB 3.48Å; D148-M152 PolarHBondContact O-N 2.81Å; E149-M152 HydrophobicContact CG-CE 4.47Å; E149-M152 PolarHBondContact O-N 3.26Å; M152-E155 PolarHBondContact O-N 2.88Å; M152-A156 VanDerWaalsContact O-CB 3.24Å; M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 3.27Å
153L95.1Very high94.1Very high26 Ų2684.5 Ų84.514%0.13645%0.446CS..Hα-helixtrans-65.5-37.7177.5-73172.9000112T14 V18 M145 E149 L150 E151 R157T14-L153 HydrophobicContact CG2-CD1 4.28Å; V18-L153 HydrophobicContact CG2-CD2 3.69Å; M145-L153 HydrophobicContact CE-CD1 4.34Å; M145-L153 HydrophobicContact SD-CD1 3.85Å; E149-L153 WeakPolarHBondContact O-CB 3.27Å; E149-L153 VanDerWaalsContact O-CG 3.29Å; E149-L153 WeakPolarHBondContact O-CG 3.33Å; E149-L153 PolarHBondContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 2.83Å; E151-L153 PolarHBondContact O-N 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.34Å; L153-R157 VanDerWaalsContact O-CG 3.23Å; L153-R157 WeakPolarHBondContact O-CG 3.29Å; L153-R157 PolarHBondContact O-N 3.04Å
154S95.2Very high94.2Very high64 Ų6480.4 Ų80.445%0.44842%0.423SS..Hα-helixtrans-67.1-43.3176.783.90000111.8L150 E151 R157 A158L150-S154 WeakPolarHBondContact O-CB 3.37Å; L150-S154 PolarHBondContact O-N 3.08Å; E151-S154 PolarHBondContact O-N 3.28Å; E151-S154 VanDerWaalsContact O-N 3.11Å; E151-S154 PolarHBondContact O-OG 3Å; S154-R157 PolarHBondContact O-N 3.16Å; S154-A158 WeakPolarHBondContact O-CB 2.98Å; S154-A158 PolarHBondContact O-N 3.38Å
155E95Very high94.2Very high84 Ų8475.6 Ų75.639%0.39341%0.409SS..Hα-helixtrans-66.2-44176.5173.1162.2-126.800110.7E151 M152 R157 A158 R159E151-E155 PolarHBondContact O-N 3.36Å; M152-E155 PolarHBondContact O-N 2.88Å; E155-R157 PolarHBondContact O-N 3.17Å; E155-A158 PolarHBondContact O-N 2.81Å; E155-R159 VanDerWaalsContact CD-CZ 3.44Å; E155-R159 HydrophobicContact CG-CG 4.06Å; E155-R159 VanDerWaalsContact O-CB 3.32Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 WeakPolarHBondContact O-CG 3.28Å; E155-R159 PolarHBondContact O-N 3.48Å; E155-R159 IonicContact OE1-CZ 3.38Å; E155-R159 IonicContact OE1-NE 3.64Å; E155-R159 PolarHBondContact OE1-NE 3.44Å; E155-R159 IonicContact OE1-NH2 3.71Å; E155-R159 PolarHBondContact OE1-NH2 2.6Å; E155-R159 IonicContact OE2-CZ 2.69Å; E155-R159 IonicContact OE2-NE 3.81Å; E155-R159 IonicContact OE2-NH2 3.73Å; E155-R159 PolarHBondContact OE2-NH2 2.81Å
156A95.9Very high94.5Very high3 Ų381.2 Ų81.23%0.02543%0.431CS..Hα-helixtrans-56.5-51.3175.200000110.7V18 L37 M152 A158 R159 L160V18-A156 HydrophobicContact CG1-CB 3.95Å; V18-A156 HydrophobicContact CG2-CB 4.04Å; L37-A156 HydrophobicContact CD2-CB 4.04Å; L37-A156 HydrophobicContact CG-CB 4.05Å; M152-A156 VanDerWaalsContact O-CB 3.24Å; M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 3.27Å; A156-A158 PolarHBondContact O-N 2.72Å; A156-R159 PolarHBondContact O-N 2.69Å; A156-L160 VanDerWaalsContact O-CB 3.25Å; A156-L160 WeakPolarHBondContact O-CB 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3Å
157R96.7Very high94.6Very high169 Ų16986 Ų8664%0.63845%0.449SS*.Hα-helixtrans-56.9-46.9176-71.7168.3-173.3163.54.9111.9L153 S154 E155 L160 A161L153-R157 WeakPolarHBondContact O-CB 3.34Å; L153-R157 VanDerWaalsContact O-CG 3.23Å; L153-R157 WeakPolarHBondContact O-CG 3.29Å; L153-R157 PolarHBondContact O-N 3.04Å; S154-R157 PolarHBondContact O-N 3.16Å; E155-R157 PolarHBondContact O-N 3.17Å; R157-L160 PolarHBondContact O-N 2.97Å; R157-A161 WeakPolarHBondContact O-CB 3.11Å; R157-A161 PolarHBondContact O-N 3.43Å
158A96.6Very high94.7Very high64 Ų6480.1 Ų80.153%0.52943%0.43SS..Hα-helixtrans-64.7-42.1-179.700000113S154 E155 A156 N162S154-A158 WeakPolarHBondContact O-CB 2.98Å; S154-A158 PolarHBondContact O-N 3.38Å; E155-A158 PolarHBondContact O-N 2.81Å; A156-A158 PolarHBondContact O-N 2.72Å; A158-N162 WeakPolarHBondContact O-CB 3.33Å; A158-N162 PolarHBondContact O-N 3.26Å; A158-N162 VanDerWaalsContact O-N 3.14Å
159R95.2Very high94.8Very high80 Ų8081 Ų8130%0.30243%0.43SS..Hα-helixtrans-73.4-33.7177.6-73.6177.9175-162.423.5112.5K25 S36 L37 E155 A156K25-R159 PolarHBondContact NZ-O 3.38Å; S36-R159 PolarHBondContact O-NH1 2.9Å; S36-R159 PolarHBondContact O-NH2 3.37Å; S36-R159 PolarHBondContact OG-NH1 3.37Å; L37-R159 HydrophobicContact CD1-CB 3.77Å; L37-R159 HydrophobicContact CD1-CG 4.22Å; E155-R159 VanDerWaalsContact CD-CZ 3.44Å; E155-R159 HydrophobicContact CG-CG 4.06Å; E155-R159 VanDerWaalsContact O-CB 3.32Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 WeakPolarHBondContact O-CG 3.28Å; E155-R159 PolarHBondContact O-N 3.48Å; E155-R159 IonicContact OE1-CZ 3.38Å; E155-R159 IonicContact OE1-NE 3.64Å; E155-R159 PolarHBondContact OE1-NE 3.44Å; E155-R159 IonicContact OE1-NH2 3.71Å; E155-R159 PolarHBondContact OE1-NH2 2.6Å; E155-R159 IonicContact OE2-CZ 2.69Å; E155-R159 IonicContact OE2-NE 3.81Å; E155-R159 IonicContact OE2-NH2 3.73Å; E155-R159 PolarHBondContact OE2-NH2 2.81Å; A156-R159 PolarHBondContact O-N 2.69Å
160L94.6Very high95Very high50 Ų5088.5 Ų88.526%0.26246%0.458SS..Hα-helixtrans-68.8-43.3173.6-71.6175.3000111.3A21 K25 L37 A156 R157 N162A21-L160 HydrophobicContact CB-CD1 3.76Å; K25-L160 HydrophobicContact CB-CD2 3.81Å; K25-L160 HydrophobicContact CD-CD2 3.56Å; K25-L160 HydrophobicContact CG-CD2 4.28Å; K25-L160 PolarHBondContact NZ-O 3.25Å; L37-L160 HydrophobicContact CD2-CD2 4.4Å; L37-L160 HydrophobicContact CD2-CG 4.4Å; A156-L160 VanDerWaalsContact O-CB 3.25Å; A156-L160 WeakPolarHBondContact O-CB 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3Å; R157-L160 PolarHBondContact O-N 2.97Å; L160-N162 VanDerWaalsContact C-N 3.3Å; L160-N162 PolarHBondContact O-N 2.78Å
161A95.6Very high95.1Very high80 Ų8090.2 Ų90.266%0.66146%0.461SS*.Hα-helixtrans-66.5-28.4175.400000113.6R157 T163R157-A161 WeakPolarHBondContact O-CB 3.11Å; R157-A161 PolarHBondContact O-N 3.43Å; A161-T163 PolarHBondContact O-N 3.29Å
162N95.8Very high95.1Very high65 Ų6586 Ų8635%0.34845%0.45SS..  trans-76.3116.6-178.3-175.130.7000113K25 A158 L160 Q164 K169K25-N162 PolarHBondContact NZ-O 3.34Å; A158-N162 WeakPolarHBondContact O-CB 3.33Å; A158-N162 PolarHBondContact O-N 3.26Å; A158-N162 VanDerWaalsContact O-N 3.14Å; L160-N162 VanDerWaalsContact C-N 3.3Å; L160-N162 PolarHBondContact O-N 2.78Å; N162-Q164 PolarHBondContact OD1-N 3.31Å; N162-Q164 VanDerWaalsContact OD1-N 3.15Å; N162-Q164 PolarHBondContact OD1-O 3.02Å; N162-K169 VanDerWaalsContact CG-NZ 3.3Å; N162-K169 PolarHBondContact ND2-NZ 2.86Å; N162-K169 VanDerWaalsContact ND2-NZ 3.19Å; N162-K169 WeakPolarHBondContact OD1-CE 3.45Å; N162-K169 PolarHBondContact OD1-NZ 3.33Å
163T94Very high95.2Very high129 Ų12993.9 Ų93.979%0.79148%0.479SS*.  trans-109.6-9.4170.7570000113.3A161A161-T163 PolarHBondContact O-N 3.29Å
164Q93.4Very high95.2Very high102 Ų10297.2 Ų97.248%0.47749%0.494SS..  trans-95.5129.2-170.5-66.3-174.7500113.4N162 A168 K169N162-Q164 PolarHBondContact OD1-N 3.31Å; N162-Q164 VanDerWaalsContact OD1-N 3.15Å; N162-Q164 PolarHBondContact OD1-O 3.02Å; Q164-A168 HydrophobicContact CB-CB 4.16Å; Q164-A168 HydrophobicContact CG-CB 4.44Å; Q164-K169 HydrophobicContact CB-CG 3.97Å; Q164-K169 WeakPolarHBondContact O-CE 3.36Å
165G93.6Very high95.2Very high48 Ų48103.4 Ų103.450%0.49551%0.507SS..  trans-76.4170.4172.300000114.4K167 A168 K169G165-K167 VanDerWaalsContact C-N 3.28Å; G165-K167 PolarHBondContact O-N 3.24Å; G165-A168 PolarHBondContact O-N 3.26Å; G165-A168 VanDerWaalsContact O-N 3.09Å; G165-K169 PolarHBondContact O-N 3.45Å; G165-K169 VanDerWaalsContact O-N 3.12Å
166K95.4Very high95.1Very high189 Ų189105.8 Ų105.882%0.82252%0.518SS*.Hα-helixtrans-51.8-41.8-178.3-66.9-177.9179.11790113.2R170K166-R170 VanDerWaalsContact O-CB 3.29Å; K166-R170 WeakPolarHBondContact O-CB 3.34Å; K166-R170 PolarHBondContact O-N 3.47Å
167K95Very high95Very high162 Ų162109.5 Ų109.570%0.70454%0.537SS*.Hα-helixtrans-65.2-39.9-180-169.3173.9-176.6176.60112.6G165 K171G165-K167 VanDerWaalsContact C-N 3.28Å; G165-K167 PolarHBondContact O-N 3.24Å; K167-K171 WeakPolarHBondContact O-CB 3.25Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.17Å
168A95.2Very high94.9Very high47 Ų47106.4 Ų106.439%0.38853%0.53SS..Hα-helixtrans-69.1-48.8177.700000111.4Q164 G165 R170 K171 A172Q164-A168 HydrophobicContact CB-CB 4.16Å; Q164-A168 HydrophobicContact CG-CB 4.44Å; G165-A168 PolarHBondContact O-N 3.26Å; G165-A168 VanDerWaalsContact O-N 3.09Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 PolarHBondContact O-N 3.16Å; A168-K171 PolarHBondContact O-N 3.27Å; A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 3.5Å
169K95.6Very high94.6Very high98 Ų98108.7 Ų108.743%0.42653%0.53SS..Hα-helixtrans-60.9-38.8176.6-64.9-168.6-180-170.50112.5N162 Q164 G165 R173N162-K169 VanDerWaalsContact CG-NZ 3.3Å; N162-K169 PolarHBondContact ND2-NZ 2.86Å; N162-K169 VanDerWaalsContact ND2-NZ 3.19Å; N162-K169 WeakPolarHBondContact OD1-CE 3.45Å; N162-K169 PolarHBondContact OD1-NZ 3.33Å; Q164-K169 HydrophobicContact CB-CG 3.97Å; Q164-K169 WeakPolarHBondContact O-CE 3.36Å; G165-K169 PolarHBondContact O-N 3.45Å; G165-K169 VanDerWaalsContact O-N 3.12Å; K169-R173 PolarHBondContact O-N 2.66Å; K169-R173 VanDerWaalsContact O-N 3.1Å
170R95.9Very high94.6Very high160 Ų160107.5 Ų107.560%0.60454%0.537SS*.Hα-helixtrans-63.4-51.4174.2-166.9-168.1-65.7166.8-3.5111.2K166 A168 A172 R173 E174K166-R170 VanDerWaalsContact O-CB 3.29Å; K166-R170 WeakPolarHBondContact O-CB 3.34Å; K166-R170 PolarHBondContact O-N 3.47Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 PolarHBondContact O-N 3.16Å; R170-A172 VanDerWaalsContact C-N 3.3Å; R170-A172 PolarHBondContact O-N 3.02Å; R170-R173 PolarHBondContact O-N 3.12Å; R170-R173 VanDerWaalsContact O-N 3.14Å; R170-E174 WeakPolarHBondContact CD-OE1 3.32Å; R170-E174 HydrophobicContact CG-CG 4.33Å; R170-E174 VanDerWaalsContact CG-OE1 3.25Å; R170-E174 WeakPolarHBondContact CG-OE1 3.39Å; R170-E174 WeakPolarHBondContact O-CB 3.19Å; R170-E174 WeakPolarHBondContact O-CG 2.87Å; R170-E174 PolarHBondContact O-N 2.84Å
171K96.3Very high94.5Very high132 Ų132112 Ų11257%0.57455%0.551SS**Hα-helixtrans-59.5-36.7177.3-79.9-166.8169.5-160.70113.4K167 A168 E174 R175K167-K171 WeakPolarHBondContact O-CB 3.25Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.17Å; A168-K171 PolarHBondContact O-N 3.27Å; K171-E174 WeakPolarHBondContact CA-OE2 3.21Å; K171-E174 PolarHBondContact O-N 2.85Å; K171-R175 WeakPolarHBondContact O-CB 3.34Å; K171-R175 PolarHBondContact O-N 3.33Å
172A93.2Very high94.3Very high45 Ų45116.1 Ų116.137%0.37255%0.549SS..Hα-helixtrans-64.5-45175.100000111.7A168 R170 R175 Q176A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 3.5Å; R170-A172 VanDerWaalsContact C-N 3.3Å; R170-A172 PolarHBondContact O-N 3.02Å; A172-R175 PolarHBondContact O-N 3.44Å; A172-Q176 WeakPolarHBondContact O-CG 3.08Å; A172-Q176 PolarHBondContact O-N 2.8Å
173R95.5Very high94.1Very high174 Ų174118 Ų11866%0.65756%0.558SS**Hα-helixtrans-65.1-42.7174.3-171.2-172.5-62.7-179.9-2.9112.1K169 R170 R175 Q176 L177K169-R173 PolarHBondContact O-N 2.66Å; K169-R173 VanDerWaalsContact O-N 3.1Å; R170-R173 PolarHBondContact O-N 3.12Å; R170-R173 VanDerWaalsContact O-N 3.14Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 3.4Å; R173-Q176 PolarHBondContact O-N 3.01Å; R173-L177 HydrophobicContact CG-CD1 4.06Å; R173-L177 HydrophobicContact CG-CG 4.37Å; R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 VanDerWaalsContact O-CG 3.3Å; R173-L177 WeakPolarHBondContact O-CG 3.12Å; R173-L177 PolarHBondContact O-N 2.89Å
174E95.5Very high94.1Very high97 Ų97114.6 Ų114.645%0.45354%0.543SS..Hα-helixtrans-58.9-42.7175.2-74.2163.7175.400110.9R170 K171 L177 E178R170-E174 WeakPolarHBondContact CD-OE1 3.32Å; R170-E174 HydrophobicContact CG-CG 4.33Å; R170-E174 VanDerWaalsContact CG-OE1 3.25Å; R170-E174 WeakPolarHBondContact CG-OE1 3.39Å; R170-E174 WeakPolarHBondContact O-CB 3.19Å; R170-E174 WeakPolarHBondContact O-CG 2.87Å; R170-E174 PolarHBondContact O-N 2.84Å; K171-E174 WeakPolarHBondContact CA-OE2 3.21Å; K171-E174 PolarHBondContact O-N 2.85Å; E174-L177 PolarHBondContact O-N 2.89Å; E174-E178 VanDerWaalsContact O-CB 3.31Å; E174-E178 WeakPolarHBondContact O-CB 2.84Å; E174-E178 PolarHBondContact O-N 3.21Å
175R94.7Very high93.9Very high193 Ų193112.6 Ų112.673%0.72854%0.541SS*.Hα-helixtrans-62.8-44.2174.9-177175.5178.4158.1-0.9112.7K171 A172 R173 E178 E179K171-R175 WeakPolarHBondContact O-CB 3.34Å; K171-R175 PolarHBondContact O-N 3.33Å; A172-R175 PolarHBondContact O-N 3.44Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 3.4Å; R175-E178 PolarHBondContact O-N 2.87Å; R175-E179 WeakPolarHBondContact O-CB 3.36Å; R175-E179 PolarHBondContact O-N 3.06Å
176Q92.4Very high93.8Very high134 Ų134113 Ų11363%0.62653%0.531SS*.Hα-helixtrans-65-42.4175.7-73.7174.7-29.100112.3A172 R173 E178 E179 A180A172-Q176 WeakPolarHBondContact O-CG 3.08Å; A172-Q176 PolarHBondContact O-N 2.8Å; R173-Q176 PolarHBondContact O-N 3.01Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; Q176-E179 PolarHBondContact O-N 3.05Å; Q176-A180 WeakPolarHBondContact O-CB 3.45Å; Q176-A180 PolarHBondContact O-N 3.27Å
177L95.5Very high93.6Very high82 Ų82109.3 Ų109.343%0.42952%0.517SS..Hα-helixtrans-65.1-37.4175.9-72.4172.6000111.5R173 E174 A180 R181R173-L177 HydrophobicContact CG-CD1 4.06Å; R173-L177 HydrophobicContact CG-CG 4.37Å; R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 VanDerWaalsContact O-CG 3.3Å; R173-L177 WeakPolarHBondContact O-CG 3.12Å; R173-L177 PolarHBondContact O-N 2.89Å; E174-L177 PolarHBondContact O-N 2.89Å; L177-A180 PolarHBondContact O-N 2.91Å; L177-R181 WeakPolarHBondContact O-CB 3.43Å; L177-R181 VanDerWaalsContact O-CG 3.25Å; L177-R181 WeakPolarHBondContact O-CG 3.48Å; L177-R181 PolarHBondContact O-N 2.89Å
178E93.2Very high93.5Very high104 Ų104107.1 Ų107.149%0.48651%0.508SS..Hα-helixtrans-69.4-38.8176.3-167.355.4-150.500112.1E174 R175 Q176 R181 R182E174-E178 VanDerWaalsContact O-CB 3.31Å; E174-E178 WeakPolarHBondContact O-CB 2.84Å; E174-E178 PolarHBondContact O-N 3.21Å; R175-E178 PolarHBondContact O-N 2.87Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; E178-R181 PolarHBondContact O-N 2.88Å; E178-R181 IonicContact OE2-CZ 3.75Å; E178-R181 IonicContact OE2-NH1 2.85Å; E178-R181 PolarHBondContact OE2-NH1 3.27Å; E178-R182 VanDerWaalsContact O-CB 3.24Å; E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 PolarHBondContact O-N 3.21Å
179E90.5Very high93.2Very high112 Ų112107.6 Ų107.652%0.52350%0.499SS..Hα-helixtrans-62.9-44.2171.5-174.7165.5-161.500111.8R175 Q176 R182 L183R175-E179 WeakPolarHBondContact O-CB 3.36Å; R175-E179 PolarHBondContact O-N 3.06Å; Q176-E179 PolarHBondContact O-N 3.05Å; E179-R182 WeakPolarHBondContact O-CB 3.37Å; E179-R182 PolarHBondContact O-N 3.14Å; E179-L183 HydrophobicContact CG-CD1 4.34Å; E179-L183 WeakPolarHBondContact O-CB 3.25Å; E179-L183 WeakPolarHBondContact O-CG 3.33Å; E179-L183 PolarHBondContact O-N 3.47Å
180A94.8Very high92.9Very high55 Ų55111.4 Ų111.446%0.45551%0.511SS..Hα-helixtrans-63-44.5175.100000112.5Q176 L177 R182 L183 A184Q176-A180 WeakPolarHBondContact O-CB 3.45Å; Q176-A180 PolarHBondContact O-N 3.27Å; L177-A180 PolarHBondContact O-N 2.91Å; A180-R182 PolarHBondContact O-N 2.77Å; A180-L183 PolarHBondContact O-N 3.48Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.22Å
181R94.3Very high92.7Very high144 Ų144108.6 Ų108.654%0.54351%0.505SS..Hα-helixtrans-60.2-44.3173.2-75.2176.3-158134.30.4111.6L177 E178 A184 S185L177-R181 WeakPolarHBondContact O-CB 3.43Å; L177-R181 VanDerWaalsContact O-CG 3.25Å; L177-R181 WeakPolarHBondContact O-CG 3.48Å; L177-R181 PolarHBondContact O-N 2.89Å; E178-R181 PolarHBondContact O-N 2.88Å; E178-R181 IonicContact OE2-CZ 3.75Å; E178-R181 IonicContact OE2-NH1 2.85Å; E178-R181 PolarHBondContact OE2-NH1 3.27Å; R181-A184 PolarHBondContact O-N 2.82Å; R181-S185 WeakPolarHBondContact O-CB 3.31Å; R181-S185 PolarHBondContact O-N 3.45Å
182R90.3Very high92.5Very high166 Ų166104.1 Ų104.163%0.62649%0.487SS*.Hα-helixtrans-60-46.6177.3-178.9-176.9176.2-146.9-2.5110.5E178 E179 A180 L186E178-R182 VanDerWaalsContact O-CB 3.24Å; E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 PolarHBondContact O-N 3.21Å; E179-R182 WeakPolarHBondContact O-CB 3.37Å; E179-R182 PolarHBondContact O-N 3.14Å; A180-R182 PolarHBondContact O-N 2.77Å; R182-L186 WeakPolarHBondContact O-CB 3.44Å; R182-L186 PolarHBondContact O-N 3.29Å
183L91.9Very high92.3Very high104 Ų104110.3 Ų110.355%0.54550%0.501SS..Hα-helixtrans-65.6-45.4178.2-71.1173000112.3E179 A180 L186 Q187E179-L183 HydrophobicContact CG-CD1 4.34Å; E179-L183 WeakPolarHBondContact O-CB 3.25Å; E179-L183 WeakPolarHBondContact O-CG 3.33Å; E179-L183 PolarHBondContact O-N 3.47Å; A180-L183 PolarHBondContact O-N 3.48Å; L183-L186 CarbonylContact O-C 3.59Å; L183-L186 PolarHBondContact O-N 2.79Å; L183-Q187 WeakPolarHBondContact O-CB 3.45Å; L183-Q187 PolarHBondContact O-N 2.73Å
184A93.7Very high92.1Very high58 Ų58106.4 Ų106.448%0.47951%0.506SS..Hα-helixtrans-64.7-43.2177.800000112.6A180 R181 L186 Q187 K188A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.22Å; R181-A184 PolarHBondContact O-N 2.82Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.44Å; A184-Q187 PolarHBondContact O-N 3.19Å; A184-K188 PolarHBondContact O-N 3.08Å
185S90.5Very high92Very high61 Ų61105.1 Ų105.143%0.42751%0.512SS..Hα-helixtrans-63.2-37.9173.8-177.20000111.8R181 R189R181-S185 WeakPolarHBondContact O-CB 3.31Å; R181-S185 PolarHBondContact O-N 3.45Å; S185-R189 VanDerWaalsContact O-CB 3.25Å; S185-R189 WeakPolarHBondContact O-CB 3.39Å; S185-R189 PolarHBondContact O-N 3.22Å
186L89.9Confident91.7Very high56 Ų5699.1 Ų99.129%0.29351%0.51SS..Hα-helixtrans-69.8-38.6176-172.4155.5000111.9R182 L183 A184 R189 R190R182-L186 WeakPolarHBondContact O-CB 3.44Å; R182-L186 PolarHBondContact O-N 3.29Å; L183-L186 CarbonylContact O-C 3.59Å; L183-L186 PolarHBondContact O-N 2.79Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.44Å; L186-R189 PolarHBondContact O-N 3.21Å; L186-R190 HydrophobicContact CD2-CG 4.26Å; L186-R190 VanDerWaalsContact CD2-NE 3.31Å; L186-R190 WeakPolarHBondContact O-CG 3.23Å; L186-R190 PolarHBondContact O-N 2.75Å
187Q92.2Very high91.5Very high112 Ų11297.3 Ų97.352%0.52350%0.503SS..Hα-helixtrans-62.7-54172.2175.8177.5-14.900111L183 A184 R189 R190 E191L183-Q187 WeakPolarHBondContact O-CB 3.45Å; L183-Q187 PolarHBondContact O-N 2.73Å; A184-Q187 PolarHBondContact O-N 3.19Å; Q187-R189 PolarHBondContact O-N 3.38Å; Q187-R190 CarbonylContact O-C 3.59Å; Q187-R190 WeakPolarHBondContact O-CA 3.34Å; Q187-R190 WeakPolarHBondContact O-CB 3.2Å; Q187-R190 PolarHBondContact O-N 3.31Å; Q187-E191 HydrophobicContact CG-CG 4.48Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.37Å; Q187-E191 PolarHBondContact NE2-OE1 3.24Å; Q187-E191 PolarHBondContact O-N 2.81Å
188K91.8Very high90.8Very high116 Ų11698 Ų9850%0.50452%0.521SS..Hα-helixtrans-56.4-37.7176.8-177.2169.2-177.6169.20112.1A184 L192A184-K188 PolarHBondContact O-N 3.08Å; K188-L192 HydrophobicContact CG-CD1 3.96Å; K188-L192 WeakPolarHBondContact O-CB 3.42Å; K188-L192 WeakPolarHBondContact O-CG 3.5Å; K188-L192 PolarHBondContact O-N 2.8Å
189R89.2Confident89.8Confident57 Ų5798.6 Ų98.622%0.21552%0.519CS..Hα-helixtrans-68.2-35.1173.3-174.5-178.9-66161.51.9112.9S185 L186 Q187 R193S185-R189 VanDerWaalsContact O-CB 3.25Å; S185-R189 WeakPolarHBondContact O-CB 3.39Å; S185-R189 PolarHBondContact O-N 3.22Å; L186-R189 PolarHBondContact O-N 3.21Å; Q187-R189 PolarHBondContact O-N 3.38Å; R189-R193 VanDerWaalsContact O-CB 3.27Å; R189-R193 WeakPolarHBondContact O-CB 3.4Å; R189-R193 VanDerWaalsContact O-CG 3.23Å; R189-R193 WeakPolarHBondContact O-CG 3.3Å; R189-R193 PolarHBondContact O-N 3.46Å
190R89.1Confident88.8Confident178 Ų17896.2 Ų96.267%0.67253%0.525SS*.Hα-helixtrans-66.3-46.7173.3-78.3175.3176167.91.1110.9L186 Q187 R193 A194L186-R190 HydrophobicContact CD2-CG 4.26Å; L186-R190 VanDerWaalsContact CD2-NE 3.31Å; L186-R190 WeakPolarHBondContact O-CG 3.23Å; L186-R190 PolarHBondContact O-N 2.75Å; Q187-R190 CarbonylContact O-C 3.59Å; Q187-R190 WeakPolarHBondContact O-CA 3.34Å; Q187-R190 WeakPolarHBondContact O-CB 3.2Å; Q187-R190 PolarHBondContact O-N 3.31Å; R190-R193 PolarHBondContact O-N 3.06Å; R190-A194 VanDerWaalsContact O-CB 3.31Å; R190-A194 WeakPolarHBondContact O-CB 3.49Å; R190-A194 PolarHBondContact O-N 3.2Å
191E92.6Very high87.3Confident100 Ų100101.6 Ų101.647%0.46753%0.533SS..Hα-helixtrans-59.3-50178.2-70.5162.6-176.500111.4Q187 R193 A194 A195Q187-E191 HydrophobicContact CG-CG 4.48Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.37Å; Q187-E191 PolarHBondContact NE2-OE1 3.24Å; Q187-E191 PolarHBondContact O-N 2.81Å; E191-R193 PolarHBondContact O-N 3.06Å; E191-A194 PolarHBondContact O-N 3.09Å; E191-A195 PolarHBondContact O-N 2.78Å
192L91.8Very high85.7Confident39 Ų3998.2 Ų98.220%0.20454%0.543CS..Hα-helixtrans-67.4-36.6179.5-67.5170.6000112.4K188 A195 G196 I197 W199K188-L192 HydrophobicContact CG-CD1 3.96Å; K188-L192 WeakPolarHBondContact O-CB 3.42Å; K188-L192 WeakPolarHBondContact O-CG 3.5Å; K188-L192 PolarHBondContact O-N 2.8Å; L192-A195 CarbonylContact O-C 3.11Å; L192-A195 PolarHBondContact O-N 3.41Å; L192-G196 PolarHBondContact O-N 2.9Å; L192-I197 CarbonylContact C-O 3.55Å; L192-I197 HydrophobicContact CB-CB 4.33Å; L192-I197 HydrophobicContact CD2-CB 4.41Å; L192-I197 HydrophobicContact CD2-CD1 3.87Å; L192-I197 WeakPolarHBondContact O-CA 3.46Å; L192-I197 PolarHBondContact O-N 3.43Å; L192-W199 HydrophobicContact CD1-CD2 4.44Å; L192-W199 HydrophobicContact CD1-CE3 3.28Å; L192-W199 HydrophobicContact CD1-CZ3 3.43Å; L192-W199 VanDerWaalsContact CD1-CZ3 3.43Å
193R89.2Confident84.3Confident175 Ų17594.7 Ų94.766%0.6653%0.534SS*.Hα-helixtrans-66.6-35.5171.2-77.1-179.9174.2-155.1-5.3112.9R189 R190 E191 A195 G196R189-R193 VanDerWaalsContact O-CB 3.27Å; R189-R193 WeakPolarHBondContact O-CB 3.4Å; R189-R193 VanDerWaalsContact O-CG 3.23Å; R189-R193 WeakPolarHBondContact O-CG 3.3Å; R189-R193 PolarHBondContact O-N 3.46Å; R190-R193 PolarHBondContact O-N 3.06Å; E191-R193 PolarHBondContact O-N 3.06Å; R193-A195 VanDerWaalsContact C-N 3.33Å; R193-G196 PolarHBondContact O-N 3.41Å; R193-G196 VanDerWaalsContact O-N 3.15Å
194A91.3Very high82.7Confident92 Ų9297.9 Ų97.976%0.7655%0.551SS**Hα-helixtrans-68.8-33.1175.400000111.8R190 E191 G196R190-A194 VanDerWaalsContact O-CB 3.31Å; R190-A194 WeakPolarHBondContact O-CB 3.49Å; R190-A194 PolarHBondContact O-N 3.2Å; E191-A194 PolarHBondContact O-N 3.09Å; A194-G196 PolarHBondContact O-N 2.84Å
195A93.3Very high81Confident70 Ų70101.9 Ų101.958%0.57956%0.558SS**THydrogen-bonded Turntrans-785.3170.200000114.1E191 L192 R193 I197E191-A195 PolarHBondContact O-N 2.78Å; L192-A195 CarbonylContact O-C 3.11Å; L192-A195 PolarHBondContact O-N 3.41Å; R193-A195 VanDerWaalsContact C-N 3.33Å; A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 HydrophobicContact CB-CD1 4.35Å; A195-I197 HydrophobicContact CB-CG1 4.42Å; A195-I197 PolarHBondContact O-N 2.82Å
196G89.3Confident79.6Confident67 Ų67109.1 Ų109.169%0.69158%0.581SS**THydrogen-bonded Turntrans753.5-179.200000115.7L192 R193 A194 A198L192-G196 PolarHBondContact O-N 2.9Å; R193-G196 PolarHBondContact O-N 3.41Å; R193-G196 VanDerWaalsContact O-N 3.15Å; A194-G196 PolarHBondContact O-N 2.84Å; G196-A198 PolarHBondContact O-N 3.46Å
197I87.5Confident78.4Confident95 Ų95118 Ų11849%0.48761%0.611SS.*  trans-82.7114-177.3-59.1171.7000110.1L192 A195 W199L192-I197 CarbonylContact C-O 3.55Å; L192-I197 HydrophobicContact CB-CB 4.33Å; L192-I197 HydrophobicContact CD2-CB 4.41Å; L192-I197 HydrophobicContact CD2-CD1 3.87Å; L192-I197 WeakPolarHBondContact O-CA 3.46Å; L192-I197 PolarHBondContact O-N 3.43Å; A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 HydrophobicContact CB-CD1 4.35Å; A195-I197 HydrophobicContact CB-CG1 4.42Å; A195-I197 PolarHBondContact O-N 2.82Å; I197-W199 PolarHBondContact O-N 3.41Å
198A80.2Confident77.3Confident98 Ų98115.7 Ų115.781%0.8162%0.618SS**  trans-7198.217900000112.2G196 G200G196-A198 PolarHBondContact O-N 3.46Å; A198-G200 PolarHBondContact O-N 2.78Å
199W73.2Confident76.6Confident115 Ų115112.8 Ų112.844%0.43661%0.607SS.*  trans-77.7103.7172.8-172.8-71.5000111.8L192 I197L192-W199 HydrophobicContact CD1-CD2 4.44Å; L192-W199 HydrophobicContact CD1-CE3 3.28Å; L192-W199 HydrophobicContact CD1-CZ3 3.43Å; L192-W199 VanDerWaalsContact CD1-CZ3 3.43Å; I197-W199 PolarHBondContact O-N 3.41Å
200G68.5Low76.1Confident63 Ų63111.4 Ų111.465%0.64960%0.604SS**  trans-67.3136.3167.200000112A198A198-G200 PolarHBondContact O-N 2.78Å
201R63.7Low75.7Confident167 Ų167111 Ų11163%0.6360%0.603SS**  trans-83.3117.1168.1-70.1-169.3-171.5-173.99.3108.8H203R201-H203 PolarHBondContact O-N 2.76Å
202G61.4Low75.2Confident73 Ų73113 Ų11375%0.75362%0.618SS**  trans-70.1106.616000000109.3L204G202-L204 PolarHBondContact O-N 3.34Å
203H60.5Low74.9Confident92 Ų92119 Ų11943%0.42665%0.645SS.*  trans-86.496-178.8-144.1-131.5000110.5R201 F205 D210R201-H203 PolarHBondContact O-N 2.76Å; H203-F205 AromaticContact CD2-CD2 3.85Å; H203-F205 AromaticContact CD2-CE2 3.95Å; H203-F205 AromaticContact CE1-CD2 3.3Å; H203-F205 WeakPolarHBondContact CE1-CD2 3.15Å; H203-F205 AromaticContact CE1-CE2 3.6Å; H203-F205 AromaticContact CG-CD2 3.95Å; H203-F205 AromaticContact ND1-CD2 3.62Å; H203-F205 AromaticContact NE2-CD2 3.43Å; H203-F205 WeakPolarHBondContact NE2-CD2 3.04Å; H203-F205 AromaticContact NE2-CE2 3.31Å; H203-F205 VanDerWaalsContact NE2-CE2 3.31Å; H203-F205 WeakPolarHBondContact NE2-CE2 3.49Å; H203-F205 PolarHBondContact O-N 3.26Å; H203-D210 IonicContact CE1-OD2 3.12Å; H203-D210 PolarHBondContact CE1-OD2 2.79Å; H203-D210 IonicContact ND1-OD2 3.23Å; H203-D210 IonicContact NE2-OD2 3.69Å
204L57.5Low74.7Confident171 Ų171115.9 Ų115.990%0.89564%0.638SS**  trans-93.560.1-179.8-76.6166.5000111.8G202G202-L204 PolarHBondContact O-N 3.34Å
205F59.2Low74.4Confident143 Ų143116.7 Ų116.763%0.62763%0.628SS**  trans-100.4107.6168.6-78.3-91.5000110H203H203-F205 AromaticContact CD2-CD2 3.85Å; H203-F205 AromaticContact CD2-CE2 3.95Å; H203-F205 AromaticContact CE1-CD2 3.3Å; H203-F205 WeakPolarHBondContact CE1-CD2 3.15Å; H203-F205 AromaticContact CE1-CE2 3.6Å; H203-F205 AromaticContact CG-CD2 3.95Å; H203-F205 AromaticContact ND1-CD2 3.62Å; H203-F205 AromaticContact NE2-CD2 3.43Å; H203-F205 WeakPolarHBondContact NE2-CD2 3.04Å; H203-F205 AromaticContact NE2-CE2 3.31Å; H203-F205 VanDerWaalsContact NE2-CE2 3.31Å; H203-F205 WeakPolarHBondContact NE2-CE2 3.49Å; H203-F205 PolarHBondContact O-N 3.26Å
206K60.9Low73.9Confident213 Ų213115.8 Ų115.893%0.92662%0.616SS**SBendtrans-83.9-23.1-179-157.1172.7-175.2177.70113
207R64.1Low73.8Confident241 Ų241120.9 Ų120.991%0.90962%0.619SS**SBendtrans-156127.7169.8-71.3-171.3170.5159.8-5108.2
208G69.6Low73.9Confident65 Ų65121.1 Ų121.167%0.6762%0.618SS**  trans150146.6178.200000112.1
209I76.6Confident74.4Confident55 Ų55127.5 Ų127.528%0.28262%0.622SS.*  trans-78.9130.1173.1-64.6171.2000107.4Y211 E214 P216 F217I209-Y211 HydrophobicContact CB-CD1 4.02Å; I209-Y211 HydrophobicContact CB-CE1 3.83Å; I209-Y211 HydrophobicContact CG2-CD1 3.67Å; I209-Y211 HydrophobicContact CG2-CE1 3.91Å; I209-Y211 WeakPolarHBondContact O-CD1 3.43Å; I209-Y211 PolarHBondContact O-N 3.12Å; I209-E214 HydrophobicContact CG2-CG 3.68Å; I209-E214 WeakPolarHBondContact CG2-OE1 3.47Å; I209-P216 HydrophobicContact CG2-CB 4.08Å; I209-P216 HydrophobicContact CG2-CG 4.21Å; I209-F217 HydrophobicContact CD1-CE1 4.2Å; I209-F217 HydrophobicContact CD1-CE2 4.11Å; I209-F217 HydrophobicContact CD1-CZ 3.88Å
210D79.3Confident75.1Confident28 Ų28128.7 Ų128.715%0.1563%0.632CS.*  trans-81.999.4169.9-169.3-16.8000109.7H203 N212 E213 E214H203-D210 IonicContact CE1-OD2 3.12Å; H203-D210 PolarHBondContact CE1-OD2 2.79Å; H203-D210 IonicContact ND1-OD2 3.23Å; H203-D210 IonicContact NE2-OD2 3.69Å; D210-N212 PolarHBondContact O-N 3.07Å; D210-N212 WeakPolarHBondContact OD1-CB 3.45Å; D210-N212 PolarHBondContact OD1-N 3.16Å; D210-N212 PolarHBondContact OD1-ND2 2.9Å; D210-E213 HydrophobicContact CB-CB 4.2Å; D210-E213 HydrophobicContact CB-CG 4.19Å; D210-E213 PolarHBondContact O-N 2.84Å; D210-E214 PolarHBondContact O-N 2.75Å; D210-E214 VanDerWaalsContact O-N 3.1Å
211Y80.9Confident75.8Confident168 Ų168131.2 Ų131.266%0.65964%0.637SS**THydrogen-bonded Turntrans-59.3-5179-51.3-29.1000115.1I209 P216I209-Y211 HydrophobicContact CB-CD1 4.02Å; I209-Y211 HydrophobicContact CB-CE1 3.83Å; I209-Y211 HydrophobicContact CG2-CD1 3.67Å; I209-Y211 HydrophobicContact CG2-CE1 3.91Å; I209-Y211 WeakPolarHBondContact O-CD1 3.43Å; I209-Y211 PolarHBondContact O-N 3.12Å; Y211-P216 HydrophobicContact CD1-CB 3.85Å; Y211-P216 HydrophobicContact CD1-CG 3.27Å; Y211-P216 HydrophobicContact CE1-CB 4Å; Y211-P216 HydrophobicContact CE1-CG 3.93Å; Y211-P216 HydrophobicContact CG-CG 3.9Å
212N82.2Confident76.9Confident144 Ų144130 Ų13077%0.7764%0.642SS**THydrogen-bonded Turntrans-100.9-23.2172.9-47.7-85.5000113.3D210D210-N212 PolarHBondContact O-N 3.07Å; D210-N212 WeakPolarHBondContact OD1-CB 3.45Å; D210-N212 PolarHBondContact OD1-N 3.16Å; D210-N212 PolarHBondContact OD1-ND2 2.9Å
213E83.7Confident78Confident165 Ų165132.3 Ų132.377%0.77164%0.644SS**THydrogen-bonded Turntrans-93.8-35.9-179.3-64.8-173.5158.600111.4D210D210-E213 HydrophobicContact CB-CB 4.2Å; D210-E213 HydrophobicContact CB-CG 4.19Å; D210-E213 PolarHBondContact O-N 2.84Å
214E85.2Confident79.1Confident109 Ų109130.1 Ų130.151%0.50965%0.646SS.*SBendtrans-130.3152.3-179.664-175.4159.400112.5I209 D210 P216I209-E214 HydrophobicContact CG2-CG 3.68Å; I209-E214 WeakPolarHBondContact CG2-OE1 3.47Å; D210-E214 PolarHBondContact O-N 2.75Å; D210-E214 VanDerWaalsContact O-N 3.1Å; E214-P216 VanDerWaalsContact O-CD 3.3Å; E214-P216 WeakPolarHBondContact O-CD 3.46Å
215I85Confident80.1Confident108 Ų108125.6 Ų125.655%0.55462%0.619SS**  trans-75.8115.9173.6-65.5174.5000108.1F217 Q218I215-F217 PolarHBondContact O-N 3.49Å; I215-Q218 HydrophobicContact CB-CB 3.93Å; I215-Q218 HydrophobicContact CB-CG 4.17Å; I215-Q218 HydrophobicContact CG2-CB 3.86Å; I215-Q218 HydrophobicContact CG2-CG 4.06Å; I215-Q218 WeakPolarHBondContact O-CB 3.48Å; I215-Q218 PolarHBondContact O-N 2.89Å; I215-Q218 VanDerWaalsContact O-N 3.14Å
216P83.6Confident81.1Confident51 Ų51122.1 Ų122.133%0.33161%0.605SS.*THydrogen-bonded Turntrans-68.2125.1-170.7-22.737.1000111.2I209 Y211 E214 Q218I209-P216 HydrophobicContact CG2-CB 4.08Å; I209-P216 HydrophobicContact CG2-CG 4.21Å; Y211-P216 HydrophobicContact CD1-CB 3.85Å; Y211-P216 HydrophobicContact CD1-CG 3.27Å; Y211-P216 HydrophobicContact CE1-CB 4Å; Y211-P216 HydrophobicContact CE1-CG 3.93Å; Y211-P216 HydrophobicContact CG-CG 3.9Å; E214-P216 VanDerWaalsContact O-CD 3.3Å; E214-P216 WeakPolarHBondContact O-CD 3.46Å; P216-Q218 VanDerWaalsContact C-N 3.25Å; P216-Q218 PolarHBondContact O-N 2.84Å
217F87.3Confident82Confident174 Ų174116.6 Ų116.676%0.76359%0.585SS**THydrogen-bonded Turntrans53.841.2-174.7-50.3-76.7000112.9I209 I215 R219I209-F217 HydrophobicContact CD1-CE1 4.2Å; I209-F217 HydrophobicContact CD1-CE2 4.11Å; I209-F217 HydrophobicContact CD1-CZ 3.88Å; I215-F217 PolarHBondContact O-N 3.49Å; F217-R219 PolarHBondContact O-N 2.92Å
218Q88.9Confident82.5Confident100 Ų100109.8 Ų109.847%0.46757%0.572SS.*  trans-49.9107.7178.8-172.1170.70.800111.3I215 P216I215-Q218 HydrophobicContact CB-CB 3.93Å; I215-Q218 HydrophobicContact CB-CG 4.17Å; I215-Q218 HydrophobicContact CG2-CB 3.86Å; I215-Q218 HydrophobicContact CG2-CG 4.06Å; I215-Q218 WeakPolarHBondContact O-CB 3.48Å; I215-Q218 PolarHBondContact O-N 2.89Å; I215-Q218 VanDerWaalsContact O-N 3.14Å; P216-Q218 VanDerWaalsContact C-N 3.25Å; P216-Q218 PolarHBondContact O-N 2.84Å
219R90.4Very high83Confident233 Ų233111.4 Ų111.488%0.87957%0.573SS**  trans-91.2114.9159.1-68.1-176.9174.6-167.3-3.7105.7F217F217-R219 PolarHBondContact O-N 2.92Å
220H87.8Confident82.8Confident139 Ų139116.6 Ų116.664%0.64460%0.597SS**PPolyproline II helixtrans-56.3139.5166.8-62.4-79.5000108L222H220-L222 PolarHBondContact O-N 2.96Å
221P84.4Confident82.5Confident117 Ų117121.8 Ų121.876%0.7662%0.624SS**PPolyproline II helixtrans-47.5138.9164.6-2534.7000108.6
222L86.2Confident82Confident141 Ų141122.9 Ų122.974%0.73863%0.632SS**PPolyproline II helixtrans-53.1131.9175.3-71.1170.7000107.4H220 G224H220-L222 PolarHBondContact O-N 2.96Å; L222-G224 PolarHBondContact O-N 3.12Å
223P84.9Confident81.2Confident122 Ų122121.6 Ų121.679%0.79263%0.63SS**  trans-57109.4-175.822.2-32.3000108
224G82.5Confident80.2Confident45 Ų45122 Ų12246%0.46464%0.636SS.*  trans-68.8-175.2-175.600000110.5L222L222-G224 PolarHBondContact O-N 3.12Å
225F80.4Confident78.9Confident77 Ų77121.2 Ų121.234%0.33864%0.639SS.*SBendtrans-90.2-26.8174.2-89.3-123.1000110.7A704 H705 E707 K708F225-A704 HydrophobicContact CB-CB 4.17Å; F225-A704 WeakPolarHBondContact CB-O 3.3Å; F225-A704 VanDerWaalsContact CD1-O 3.31Å; F225-A704 WeakPolarHBondContact CD1-O 3.27Å; F225-A704 HydrophobicContact CD2-CB 3.43Å; F225-A704 VanDerWaalsContact CD2-CB 3.43Å; F225-A704 HydrophobicContact CE2-CB 3.86Å; F225-A704 VanDerWaalsContact CG-C 3.47Å; F225-A704 HydrophobicContact CG-CB 3.86Å; F225-A704 WeakPolarHBondContact CG-O 3.41Å; F225-H705 HydrophobicContact CD1-CB 4.49Å; F225-H705 HydrophobicContact CE1-CB 4.27Å; F225-E707 HydrophobicContact CB-CB 4.3Å; F225-E707 PolarHBondContact N-OE2 3.21Å; F225-K708 HydrophobicContact CB-CB 3.89Å; F225-K708 HydrophobicContact CB-CD 4.23Å; F225-K708 VanDerWaalsContact CB-CE 3.44Å; F225-K708 HydrophobicContact CB-CG 4.31Å; F225-K708 HydrophobicContact CD1-CB 3.89Å; F225-K708 HydrophobicContact CD1-CD 3.62Å; F225-K708 HydrophobicContact CD1-CG 4.3Å; F225-K708 HydrophobicContact CE1-CD 4.42Å; F225-K708 HydrophobicContact CG-CB 4.38Å; F225-K708 HydrophobicContact CG-CD 4.22Å; F225-K708 VanDerWaalsContact CG-NZ 3.27Å; F225-K708 WeakPolarHBondContact O-CE 3.34Å
226H78.9Confident77.6Confident70 Ų70121.6 Ų121.632%0.32464%0.642SS.*SBendtrans-66158.1168.6-80.7-152.6000114.7P228 E707 D711H226-P228 VanDerWaalsContact O-CD 3.25Å; H226-P228 WeakPolarHBondContact O-CD 3.34Å; H226-E707 WeakPolarHBondContact CD2-CB 3.38Å; H226-E707 VanDerWaalsContact CD2-CD 3.5Å; H226-E707 WeakPolarHBondContact CD2-CG 3.44Å; H226-E707 PolarHBondContact CD2-O 2.82Å; H226-E707 VanDerWaalsContact CD2-O 3.26Å; H226-E707 IonicContact CD2-OE2 2.66Å; H226-E707 IonicContact CG-OE1 3.51Å; H226-E707 IonicContact CG-OE2 3.94Å; H226-E707 PolarHBondContact N-OE2 2.99Å; H226-E707 IonicContact ND1-OE1 3.55Å; H226-E707 WeakPolarHBondContact NE2-CA 3.25Å; H226-E707 PolarHBondContact NE2-O 3.2Å; H226-D711 VanDerWaalsContact CA-OD2 3.29Å; H226-D711 WeakPolarHBondContact CA-OD2 3.15Å; H226-D711 WeakPolarHBondContact CB-OD2 3.32Å; H226-D711 IonicContact CD2-OD1 3.46Å; H226-D711 IonicContact CD2-OD2 3.38Å; H226-D711 PolarHBondContact CD2-OD2 3.3Å; H226-D711 IonicContact CE1-OD1 3.97Å; H226-D711 PolarHBondContact CE1-OD1 3.24Å; H226-D711 IonicContact CG-OD1 3.99Å; H226-D711 IonicContact CG-OD2 3.66Å; H226-D711 VanDerWaalsContact CG-OD2 3.23Å; H226-D711 IonicContact ND1-OD1 2.91Å; H226-D711 PolarHBondContact ND1-OD1 3.11Å; H226-D711 IonicContact ND1-OD2 2.72Å; H226-D711 PolarHBondContact NE2-N 2.83Å; H226-D711 IonicContact NE2-OD1 2.74Å; H226-D711 PolarHBondContact NE2-OD1 2.98Å; H226-D711 VanDerWaalsContact NE2-OD1 3.1Å; H226-D711 IonicContact NE2-OD2 2.73Å
227D80.9Confident76.2Confident97 Ų97126.6 Ų126.652%0.51966%0.663SS.*  trans-90.5101.7159.4-174.81.1000109.7S229 D711D227-S229 PolarHBondContact O-N 3.48Å; D227-S229 WeakPolarHBondContact OD1-CB 3.42Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 3.44Å; D227-D711 PolarHBondContact N-OD2 2.93Å
228P73.9Confident74.9Confident97 Ų97121.9 Ų121.963%0.6365%0.646SS**G310 helixtrans-69.33.2179.831.8-37.6000113.4H226 E230 D231H226-P228 VanDerWaalsContact O-CD 3.25Å; H226-P228 WeakPolarHBondContact O-CD 3.34Å; P228-E230 PolarHBondContact O-N 3.47Å; P228-D231 PolarHBondContact O-N 3.29Å
229S79.3Confident73.5Confident100 Ų100122 Ų12270%0.69965%0.654SS**G310 helixtrans-67.1-21.8177.7-55.50000113.7D227D227-S229 PolarHBondContact O-N 3.48Å; D227-S229 WeakPolarHBondContact OD1-CB 3.42Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 3.44Å
230E73.6Confident72.2Confident164 Ų164118.5 Ų118.577%0.76665%0.645SS**G310 helixtrans-84.2-15.8178-60.7-157.5171.900113.6P228 K232P228-E230 PolarHBondContact O-N 3.47Å; E230-K232 PolarHBondContact O-N 3.1Å
231D73Confident71.2Confident136 Ų136119.2 Ų119.273%0.72764%0.642SS**  trans-70.884.1-175.4-103-6.6000112.7P228 V233P228-D231 PolarHBondContact O-N 3.29Å; D231-V233 VanDerWaalsContact C-N 3.32Å; D231-V233 PolarHBondContact O-N 3.45Å
232K70.1Confident70.2Confident191 Ų191117.7 Ų117.783%0.8363%0.626SS**  trans-72.785.5173.5-69.4170.2-171.1164.20110.3E230 L234E230-K232 PolarHBondContact O-N 3.1Å; K232-L234 PolarHBondContact O-N 2.75Å
233V64.8Low69.3Low118 Ų118114.5 Ų114.572%0.71562%0.616SS**  trans-54.7108.7164.1-179.40000108.1D231 T235D231-V233 VanDerWaalsContact C-N 3.32Å; D231-V233 PolarHBondContact O-N 3.45Å; V233-T235 HydrophobicContact CG1-CG2 4.14Å; V233-T235 PolarHBondContact O-N 3.25Å
234L63.4Low68.5Low172 Ų172114 Ų11490%0.90160%0.603SS**  trans-6578.7169.6-82161.6000108.6K232 D236K232-L234 PolarHBondContact O-N 2.75Å; L234-D236 PolarHBondContact O-N 3.26Å
235T58Low68.1Low93 Ų93117.5 Ų117.557%0.57161%0.605SS**  trans-61.7111.3167.948.10000106.7V233 M237V233-T235 HydrophobicContact CG1-CG2 4.14Å; V233-T235 PolarHBondContact O-N 3.25Å; T235-M237 WeakPolarHBondContact O-CG 3.18Å; T235-M237 PolarHBondContact O-N 2.87Å
236D56.6Low67.7Low117 Ų117118.6 Ų118.663%0.62661%0.614SS**  trans-67.985.9177.5-147.314.2000106.5L234 N238 I242L234-D236 PolarHBondContact O-N 3.26Å; D236-N238 PolarHBondContact O-N 3.42Å; D236-I242 HydrophobicContact CB-CD1 4.37Å; D236-I242 WeakPolarHBondContact O-CD1 3.25Å
237M55.1Low67.3Low156 Ų156120.4 Ų120.477%0.76862%0.623SS**SBendtrans-57.2-6.9-163.4-76.4-67.6-86.300114.6T235 T239T235-M237 WeakPolarHBondContact O-CG 3.18Å; T235-M237 PolarHBondContact O-N 2.87Å; M237-T239 PolarHBondContact O-N 3.18Å
238N60Low67Low75 Ų75120.4 Ų120.440%0.40162%0.62SS.*  trans-79.559.1174.2-127.7-40.5000112D236 K240 R241 I242D236-N238 PolarHBondContact O-N 3.42Å; N238-K240 PolarHBondContact O-N 2.98Å; N238-R241 HydrophobicContact CB-CB 4.24Å; N238-R241 HydrophobicContact CB-CG 4.2Å; N238-R241 WeakPolarHBondContact O-CA 3.48Å; N238-R241 WeakPolarHBondContact O-CB 3.34Å; N238-R241 PolarHBondContact O-N 2.7Å; N238-I242 PolarHBondContact O-N 3Å
239T60.2Low67.1Low103 Ų103123.5 Ų123.563%0.63262%0.623SS**Hα-helixtrans-49.4-32.5177.855.10000113.8M237 I242 S243M237-T239 PolarHBondContact O-N 3.18Å; T239-I242 PolarHBondContact O-N 3.28Å; T239-S243 PolarHBondContact O-N 3.38Å; T239-S243 PolarHBondContact O-OG 3.25Å
240K62.8Low66.8Low159 Ų159127 Ų12769%0.69162%0.621SS**Hα-helixtrans-59.6-47171.7-67.9179.2180173.90112.2N238 S243 Q244N238-K240 PolarHBondContact O-N 2.98Å; K240-S243 PolarHBondContact O-OG 3.43Å; K240-S243 VanDerWaalsContact O-OG 3.08Å; K240-Q244 WeakPolarHBondContact O-CG 3.45Å; K240-Q244 PolarHBondContact O-N 3.1Å; K240-Q244 PolarHBondContact O-OE1 3.33Å
241R65.9Low66.9Low154 Ų154125.1 Ų125.158%0.58161%0.61SS**Hα-helixtrans-67.1-35.4178.3-69.7-176171.3179.7-3.6112.3N238 K245N238-R241 HydrophobicContact CB-CB 4.24Å; N238-R241 HydrophobicContact CB-CG 4.2Å; N238-R241 WeakPolarHBondContact O-CA 3.48Å; N238-R241 WeakPolarHBondContact O-CB 3.34Å; N238-R241 PolarHBondContact O-N 2.7Å; R241-K245 VanDerWaalsContact O-CB 3.28Å; R241-K245 WeakPolarHBondContact O-CB 3.23Å; R241-K245 VanDerWaalsContact O-CG 3.24Å; R241-K245 WeakPolarHBondContact O-CG 3.37Å; R241-K245 PolarHBondContact O-N 3.47Å
242I64.6Low67Low85 Ų85123.6 Ų123.644%0.43660%0.602SS.*Hα-helixtrans-65.5-49.8-179.1-64.1170.7000111D236 N238 T239 Q244 K245 L246D236-I242 HydrophobicContact CB-CD1 4.37Å; D236-I242 WeakPolarHBondContact O-CD1 3.25Å; N238-I242 PolarHBondContact O-N 3Å; T239-I242 PolarHBondContact O-N 3.28Å; I242-Q244 PolarHBondContact O-N 2.89Å; I242-K245 PolarHBondContact O-N 2.91Å; I242-L246 PolarHBondContact O-N 3.46Å
243S67.3Low67.1Low74 Ų74123.5 Ų123.552%0.51760%0.596SS.*Hα-helixtrans-62.8-41.7178.954.90000112.5T239 K240 L246 E247T239-S243 PolarHBondContact O-N 3.38Å; T239-S243 PolarHBondContact O-OG 3.25Å; K240-S243 PolarHBondContact O-OG 3.43Å; K240-S243 VanDerWaalsContact O-OG 3.08Å; S243-L246 PolarHBondContact O-N 2.8Å; S243-E247 PolarHBondContact O-N 3.45Å; S243-E247 VanDerWaalsContact O-N 3.14Å
244Q68.1Low67.7Low112 Ų112124.4 Ų124.452%0.52359%0.593SS.*Hα-helixtrans-59.6-53.9172.5-73.7173.6-31.600111.7K240 I242 L246 E247 E248K240-Q244 WeakPolarHBondContact O-CG 3.45Å; K240-Q244 PolarHBondContact O-N 3.1Å; K240-Q244 PolarHBondContact O-OE1 3.33Å; I242-Q244 PolarHBondContact O-N 2.89Å; Q244-L246 PolarHBondContact O-N 2.86Å; Q244-L246 VanDerWaalsContact O-N 3.16Å; Q244-E247 PolarHBondContact O-N 3.48Å; Q244-E248 WeakPolarHBondContact O-CB 3.06Å; Q244-E248 VanDerWaalsContact O-CG 3.29Å; Q244-E248 WeakPolarHBondContact O-CG 3.14Å; Q244-E248 PolarHBondContact O-N 3.21Å
245K74.4Confident68.6Low117 Ų117118.9 Ų118.951%0.50957%0.572SS.*Hα-helixtrans-55.8-33.7177.7-78.7177176.7-177.70113.2R241 I242 K249R241-K245 VanDerWaalsContact O-CB 3.28Å; R241-K245 WeakPolarHBondContact O-CB 3.23Å; R241-K245 VanDerWaalsContact O-CG 3.24Å; R241-K245 WeakPolarHBondContact O-CG 3.37Å; R241-K245 PolarHBondContact O-N 3.47Å; I242-K245 PolarHBondContact O-N 2.91Å; K245-K249 WeakPolarHBondContact O-CB 3.08Å; K245-K249 WeakPolarHBondContact O-CG 3.3Å; K245-K249 PolarHBondContact O-N 2.95Å
246L71.6Confident69.7Low101 Ų101116.9 Ų116.953%0.52957%0.565SS.*Hα-helixtrans-75.4-40.9179.7-158.1102.7000112.4I242 S243 Q244 R250I242-L246 PolarHBondContact O-N 3.46Å; S243-L246 PolarHBondContact O-N 2.8Å; Q244-L246 PolarHBondContact O-N 2.86Å; Q244-L246 VanDerWaalsContact O-N 3.16Å; L246-R250 PolarHBondContact O-N 3.25Å
247E70.8Confident70.8Confident108 Ų108114.6 Ų114.651%0.50556%0.555SS.*Hα-helixtrans-67.7-42172.1-97.4-168.3-158.400112S243 Q244 R250 K251S243-E247 PolarHBondContact O-N 3.45Å; S243-E247 VanDerWaalsContact O-N 3.14Å; Q244-E247 PolarHBondContact O-N 3.48Å; E247-R250 PolarHBondContact O-N 2.88Å; E247-K251 WeakPolarHBondContact O-CB 3.3Å; E247-K251 WeakPolarHBondContact O-CG 3.49Å; E247-K251 PolarHBondContact O-N 2.89Å; E247-K251 IonicContact OE2-NZ 3.1Å; E247-K251 PolarHBondContact OE2-NZ 2.91Å
248E74.1Confident72.2Confident97 Ų97109.9 Ų109.945%0.45354%0.541SS..Hα-helixtrans-57.9-49.5172.6-75167.5-175.200110.6Q244 R250 K251 N252Q244-E248 WeakPolarHBondContact O-CB 3.06Å; Q244-E248 VanDerWaalsContact O-CG 3.29Å; Q244-E248 WeakPolarHBondContact O-CG 3.14Å; Q244-E248 PolarHBondContact O-N 3.21Å; E248-R250 VanDerWaalsContact C-N 3.26Å; E248-R250 PolarHBondContact O-N 3.34Å; E248-K251 PolarHBondContact O-N 2.92Å; E248-N252 WeakPolarHBondContact O-CA 3.24Å; E248-N252 WeakPolarHBondContact O-CB 3.07Å; E248-N252 PolarHBondContact O-N 3.41Å; E248-N252 PolarHBondContact O-ND2 3.43Å; E248-N252 PolarHBondContact O-OD1 3.05Å
249K75.9Confident73.4Confident162 Ų162110.1 Ų110.170%0.70454%0.54SS*.Hα-helixtrans-56.1-37.7175.5-84.2-176.6175.4-173.80113.1K245 R253K245-K249 WeakPolarHBondContact O-CB 3.08Å; K245-K249 WeakPolarHBondContact O-CG 3.3Å; K245-K249 PolarHBondContact O-N 2.95Å; K249-R253 WeakPolarHBondContact O-CB 3.3Å; K249-R253 PolarHBondContact O-N 3.38Å; K249-R253 VanDerWaalsContact O-N 3.08Å
250R72.9Confident74.5Confident172 Ų172111.9 Ų111.965%0.64954%0.541SS*.Hα-helixtrans-70.4-51176.6-74.4-179.1174.2179.4-0.5112L246 E247 E248 N252 R253 E254L246-R250 PolarHBondContact O-N 3.25Å; E247-R250 PolarHBondContact O-N 2.88Å; E248-R250 VanDerWaalsContact C-N 3.26Å; E248-R250 PolarHBondContact O-N 3.34Å; R250-N252 VanDerWaalsContact C-N 3.33Å; R250-N252 PolarHBondContact O-N 3.15Å; R250-R253 PolarHBondContact O-N 2.88Å; R250-E254 PolarHBondContact O-N 3.13Å; R250-E254 VanDerWaalsContact O-N 3.15Å
251K74.6Confident75.6Confident125 Ų125111.4 Ų111.454%0.54354%0.539SS..Hα-helixtrans-59-44.7177.2-73.2167.7177159.10111E247 E248 R253 E254 A255E247-K251 WeakPolarHBondContact O-CB 3.3Å; E247-K251 WeakPolarHBondContact O-CG 3.49Å; E247-K251 PolarHBondContact O-N 2.89Å; E247-K251 IonicContact OE2-NZ 3.1Å; E247-K251 PolarHBondContact OE2-NZ 2.91Å; E248-K251 PolarHBondContact O-N 2.92Å; K251-R253 VanDerWaalsContact C-N 3.35Å; K251-R253 PolarHBondContact O-N 3.33Å; K251-E254 PolarHBondContact O-N 2.95Å; K251-A255 WeakPolarHBondContact O-CB 3.22Å; K251-A255 PolarHBondContact O-N 2.99Å
252N75.2Confident76.7Confident104 Ų104111.4 Ų111.456%0.55654%0.539SS*.Hα-helixtrans-65.1-34.4177.9-65.9-3.7000112E248 R250 A256E248-N252 WeakPolarHBondContact O-CA 3.24Å; E248-N252 WeakPolarHBondContact O-CB 3.07Å; E248-N252 PolarHBondContact O-N 3.41Å; E248-N252 PolarHBondContact O-ND2 3.43Å; E248-N252 PolarHBondContact O-OD1 3.05Å; R250-N252 VanDerWaalsContact C-N 3.33Å; R250-N252 PolarHBondContact O-N 3.15Å; N252-A256 WeakPolarHBondContact O-CA 3.36Å; N252-A256 WeakPolarHBondContact O-CB 3.33Å; N252-A256 PolarHBondContact O-N 3.39Å
253R73.2Confident77.8Confident189 Ų189111.9 Ų111.971%0.71354%0.538SS*.Hα-helixtrans-68-46.7175.4-166.9178.274.9166.25.3111.8K249 R250 K251 A256 T257K249-R253 WeakPolarHBondContact O-CB 3.3Å; K249-R253 PolarHBondContact O-N 3.38Å; K249-R253 VanDerWaalsContact O-N 3.08Å; R250-R253 PolarHBondContact O-N 2.88Å; K251-R253 VanDerWaalsContact C-N 3.35Å; K251-R253 PolarHBondContact O-N 3.33Å; R253-A256 PolarHBondContact O-N 2.78Å; R253-T257 WeakPolarHBondContact O-CG2 3.29Å; R253-T257 PolarHBondContact O-N 3.15Å; R253-T257 VanDerWaalsContact O-N 3.13Å
254E76.3Confident78.7Confident138 Ų138110.1 Ų110.165%0.64553%0.531SS*.Hα-helixtrans-65.7-46177.5-69.3179.6-177.100110.9R250 K251 A256 T257 A258R250-E254 PolarHBondContact O-N 3.13Å; R250-E254 VanDerWaalsContact O-N 3.15Å; K251-E254 PolarHBondContact O-N 2.95Å; E254-A256 PolarHBondContact O-N 2.96Å; E254-T257 PolarHBondContact O-N 3.05Å; E254-T257 PolarHBondContact O-OG1 2.84Å; E254-A258 PolarHBondContact O-N 3.46Å
255A82Confident79.6Confident55 Ų55114 Ų11446%0.45554%0.541SS..Hα-helixtrans-60.4-42.6174.900000112.6K251 A258 E259K251-A255 WeakPolarHBondContact O-CB 3.22Å; K251-A255 PolarHBondContact O-N 2.99Å; A255-A258 PolarHBondContact O-N 3.21Å; A255-E259 VanDerWaalsContact O-CB 3.3Å; A255-E259 WeakPolarHBondContact O-CB 3.49Å; A255-E259 PolarHBondContact O-N 3.36Å
256A81.1Confident80.2Confident51 Ų51112.6 Ų112.642%0.42154%0.536SS..Hα-helixtrans-61.9-44.8177.100000111.7N252 R253 E254 A258 E259 E260N252-A256 WeakPolarHBondContact O-CA 3.36Å; N252-A256 WeakPolarHBondContact O-CB 3.33Å; N252-A256 PolarHBondContact O-N 3.39Å; R253-A256 PolarHBondContact O-N 2.78Å; E254-A256 PolarHBondContact O-N 2.96Å; A256-A258 VanDerWaalsContact C-N 3.3Å; A256-A258 PolarHBondContact O-N 3.4Å; A256-E259 PolarHBondContact O-N 3.02Å; A256-E260 VanDerWaalsContact O-CB 3.25Å; A256-E260 WeakPolarHBondContact O-CB 3.3Å; A256-E260 PolarHBondContact O-N 2.67Å
257T79.9Confident80.9Confident69 Ų69116.5 Ų116.542%0.42354%0.544SS..Hα-helixtrans-66.2-31.3176.463.80000113R253 E254 K261R253-T257 WeakPolarHBondContact O-CG2 3.29Å; R253-T257 PolarHBondContact O-N 3.15Å; R253-T257 VanDerWaalsContact O-N 3.13Å; E254-T257 PolarHBondContact O-N 3.05Å; E254-T257 PolarHBondContact O-OG1 2.84Å; T257-K261 WeakPolarHBondContact O-CB 3.46Å; T257-K261 VanDerWaalsContact O-CG 3.29Å; T257-K261 WeakPolarHBondContact O-CG 3.49Å; T257-K261 PolarHBondContact O-N 2.83Å
258A84.9Confident81.3Confident58 Ų58117 Ų11748%0.47955%0.547SS..Hα-helixtrans-73.4-40.4174.100000111.8E254 A255 A256 K261 R262E254-A258 PolarHBondContact O-N 3.46Å; A255-A258 PolarHBondContact O-N 3.21Å; A256-A258 VanDerWaalsContact C-N 3.3Å; A256-A258 PolarHBondContact O-N 3.4Å; A258-K261 PolarHBondContact O-N 2.96Å; A258-R262 PolarHBondContact O-N 3.02Å
259E85.4Confident81.9Confident79 Ų79119.4 Ų119.437%0.36956%0.555SS.*Hα-helixtrans-70.3-38.1177.9-162.6-166.7176.500111.7A255 A256 R262 K263A255-E259 VanDerWaalsContact O-CB 3.3Å; A255-E259 WeakPolarHBondContact O-CB 3.49Å; A255-E259 PolarHBondContact O-N 3.36Å; A256-E259 PolarHBondContact O-N 3.02Å; E259-R262 CarbonylContact O-C 3.59Å; E259-R262 WeakPolarHBondContact O-CA 3.07Å; E259-R262 WeakPolarHBondContact O-CB 3.25Å; E259-R262 PolarHBondContact O-N 3.24Å; E259-R262 VanDerWaalsContact O-N 3.15Å; E259-R262 IonicContact OE1-NH2 3.48Å; E259-K263 HydrophobicContact CG-CD 4.33Å; E259-K263 WeakPolarHBondContact O-CB 3.34Å; E259-K263 WeakPolarHBondContact O-CG 3.38Å; E259-K263 PolarHBondContact O-N 3.26Å; E259-K263 WeakPolarHBondContact OE1-CE 3.46Å; E259-K263 IonicContact OE1-NZ 3.25Å; E259-K263 PolarHBondContact OE1-NZ 2.87Å; E259-K263 IonicContact OE2-NZ 2.85Å; E259-K263 PolarHBondContact OE2-NZ 2.74Å
260E83.2Confident82.2Confident140 Ų140116.2 Ų116.265%0.65454%0.541SS*.Hα-helixtrans-62-44.6172.5-176.4174.7-15100110.8A256 R262 K263 G264A256-E260 VanDerWaalsContact O-CB 3.25Å; A256-E260 WeakPolarHBondContact O-CB 3.3Å; A256-E260 PolarHBondContact O-N 2.67Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 3.03Å; E260-K263 PolarHBondContact O-N 3.3Å; E260-G264 PolarHBondContact O-N 3.01Å
261K86.1Confident82.4Confident149 Ų149116 Ų11665%0.64854%0.541SS*.Hα-helixtrans-62-36.2171.5-74.7172.2-177.61750112.4T257 A258 R265T257-K261 WeakPolarHBondContact O-CB 3.46Å; T257-K261 VanDerWaalsContact O-CG 3.29Å; T257-K261 WeakPolarHBondContact O-CG 3.49Å; T257-K261 PolarHBondContact O-N 2.83Å; A258-K261 PolarHBondContact O-N 2.96Å; K261-R265 WeakPolarHBondContact O-CB 3.43Å; K261-R265 WeakPolarHBondContact O-CG 3.29Å; K261-R265 PolarHBondContact O-N 3.23Å
262R88.5Confident82.3Confident155 Ų155117.7 Ų117.759%0.58555%0.548SS*.Hα-helixtrans-65.7-50.9173.9-171.5-178.870.1157.8-0.3111.1A258 E259 E260 G264 R265 E266A258-R262 PolarHBondContact O-N 3.02Å; E259-R262 CarbonylContact O-C 3.59Å; E259-R262 WeakPolarHBondContact O-CA 3.07Å; E259-R262 WeakPolarHBondContact O-CB 3.25Å; E259-R262 PolarHBondContact O-N 3.24Å; E259-R262 VanDerWaalsContact O-N 3.15Å; E259-R262 IonicContact OE1-NH2 3.48Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 3.03Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.34Å; R262-R265 PolarHBondContact O-N 2.79Å; R262-E266 WeakPolarHBondContact O-CB 3.5Å; R262-E266 PolarHBondContact O-N 3.21Å
263K88.7Confident82.2Confident95 Ų95117.6 Ų117.641%0.41355%0.551SS.*Hα-helixtrans-60.4-38.5176.8-74.5171.4178.9161.70111.6E259 E260 E266 R267E259-K263 HydrophobicContact CG-CD 4.33Å; E259-K263 WeakPolarHBondContact O-CB 3.34Å; E259-K263 WeakPolarHBondContact O-CG 3.38Å; E259-K263 PolarHBondContact O-N 3.26Å; E259-K263 WeakPolarHBondContact OE1-CE 3.46Å; E259-K263 IonicContact OE1-NZ 3.25Å; E259-K263 PolarHBondContact OE1-NZ 2.87Å; E259-K263 IonicContact OE2-NZ 2.85Å; E259-K263 PolarHBondContact OE2-NZ 2.74Å; E260-K263 PolarHBondContact O-N 3.3Å; K263-E266 PolarHBondContact O-N 3.16Å; K263-R267 WeakPolarHBondContact O-CB 3.43Å; K263-R267 VanDerWaalsContact O-CG 3.25Å; K263-R267 WeakPolarHBondContact O-CG 3.45Å; K263-R267 PolarHBondContact O-N 3.05Å
264G86.8Confident81.6Confident37 Ų37114.4 Ų114.438%0.38154%0.544SS..Hα-helixtrans-64-48.6173.800000112.6E260 R262 E266 R267 Q268E260-G264 PolarHBondContact O-N 3.01Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.34Å; G264-E266 VanDerWaalsContact C-N 3.32Å; G264-E266 PolarHBondContact O-N 3.4Å; G264-R267 PolarHBondContact O-N 2.95Å; G264-Q268 WeakPolarHBondContact O-CB 3.32Å; G264-Q268 PolarHBondContact O-N 3.12Å
265R86Confident80.6Confident194 Ų194108.9 Ų108.973%0.73252%0.524SS*.Hα-helixtrans-61-39.8173.1-76.3175.9176-171.7-1.8112.3K261 R262 Q268 K269K261-R265 WeakPolarHBondContact O-CB 3.43Å; K261-R265 WeakPolarHBondContact O-CG 3.29Å; K261-R265 PolarHBondContact O-N 3.23Å; R262-R265 PolarHBondContact O-N 2.79Å; R265-Q268 PolarHBondContact O-N 2.8Å; R265-K269 WeakPolarHBondContact O-CB 3.44Å; R265-K269 PolarHBondContact O-N 3.24Å
266E87.4Confident79.1Confident86 Ų86111.4 Ų111.440%0.40253%0.53SS..Hα-helixtrans-68.9-43.4178.7-163.2-167.8139.800111.5R262 K263 G264 Q268 K269 K270R262-E266 WeakPolarHBondContact O-CB 3.5Å; R262-E266 PolarHBondContact O-N 3.21Å; K263-E266 PolarHBondContact O-N 3.16Å; G264-E266 VanDerWaalsContact C-N 3.32Å; G264-E266 PolarHBondContact O-N 3.4Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.41Å; E266-K269 PolarHBondContact O-N 3.5Å; E266-K270 WeakPolarHBondContact O-CB 3.45Å; E266-K270 WeakPolarHBondContact O-CG 3.48Å; E266-K270 PolarHBondContact O-N 2.85Å; E266-K270 WeakPolarHBondContact OE1-CE 3.01Å; E266-K270 IonicContact OE1-NZ 3.64Å; E266-K270 PolarHBondContact OE1-NZ 3.27Å
267R86.1Confident77.8Confident183 Ų183112 Ų11269%0.69153%0.528SS*.Hα-helixtrans-59.9-41.4171.3-76.1172.8176.9-179.8-1.6111.8K263 G264 R271K263-R267 WeakPolarHBondContact O-CB 3.43Å; K263-R267 VanDerWaalsContact O-CG 3.25Å; K263-R267 WeakPolarHBondContact O-CG 3.45Å; K263-R267 PolarHBondContact O-N 3.05Å; G264-R267 PolarHBondContact O-N 2.95Å; R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 WeakPolarHBondContact O-CG 3.5Å; R267-R271 PolarHBondContact O-N 2.86Å
268Q79.1Confident76.7Confident120 Ų120114.6 Ų114.656%0.56154%0.54SS*.Hα-helixtrans-68.9-38.1176.1-165.9-178.529.900111.9G264 R265 E266 K272G264-Q268 WeakPolarHBondContact O-CB 3.32Å; G264-Q268 PolarHBondContact O-N 3.12Å; R265-Q268 PolarHBondContact O-N 2.8Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.41Å; Q268-K272 WeakPolarHBondContact O-CG 3.47Å; Q268-K272 PolarHBondContact O-N 2.94Å
269K86.1Confident75.4Confident146 Ų146114.3 Ų114.364%0.63554%0.537SS*.Hα-helixtrans-63.4-48.2173.4-170.8-179.5-179.7-173.80110.4R265 E266 K272 T273R265-K269 WeakPolarHBondContact O-CB 3.44Å; R265-K269 PolarHBondContact O-N 3.24Å; E266-K269 PolarHBondContact O-N 3.5Å; K269-K272 CarbonylContact O-C 3.54Å; K269-K272 WeakPolarHBondContact O-CA 3.44Å; K269-K272 WeakPolarHBondContact O-CB 3.31Å; K269-K272 PolarHBondContact O-N 3.3Å; K269-K272 VanDerWaalsContact O-N 3.09Å; K269-T273 HydrophobicContact CG-CG2 4.25Å; K269-T273 WeakPolarHBondContact O-CG2 3.38Å; K269-T273 PolarHBondContact O-N 3.2Å; K269-T273 PolarHBondContact O-OG1 3.38Å; K269-T273 VanDerWaalsContact O-OG1 3.06Å
270K83.5Confident73.9Confident95 Ų95115.8 Ų115.841%0.41355%0.545SS..Hα-helixtrans-55.9-51.9174.7-80.9175.9172.3165.60111.7E266 K272 T273 E274E266-K270 WeakPolarHBondContact O-CB 3.45Å; E266-K270 WeakPolarHBondContact O-CG 3.48Å; E266-K270 PolarHBondContact O-N 2.85Å; E266-K270 WeakPolarHBondContact OE1-CE 3.01Å; E266-K270 IonicContact OE1-NZ 3.64Å; E266-K270 PolarHBondContact OE1-NZ 3.27Å; K270-K272 PolarHBondContact O-N 3.46Å; K270-K272 VanDerWaalsContact O-N 3.16Å; K270-T273 WeakPolarHBondContact CA-OG1 3.18Å; K270-T273 PolarHBondContact O-N 3.31Å; K270-T273 PolarHBondContact O-OG1 2.95Å; K270-E274 WeakPolarHBondContact CB-OE1 3.41Å; K270-E274 WeakPolarHBondContact O-CB 3.36Å; K270-E274 VanDerWaalsContact O-CG 3.32Å; K270-E274 WeakPolarHBondContact O-CG 3.25Å; K270-E274 PolarHBondContact O-N 3.02Å
271R75.4Confident72.6Confident168 Ų168115.9 Ų115.963%0.63454%0.544SS*.Hα-helixtrans-57-33.1174.2-71.6-179.274.9-171.64.6113.9R267R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 WeakPolarHBondContact O-CG 3.5Å; R267-R271 PolarHBondContact O-N 2.86Å
272K74.4Confident71.3Confident161 Ų161110.8 Ų110.870%0.753%0.529SS*.Hα-helixtrans-76.7-37.3174.3-74.8-175174.7-164.70113.3Q268 K269 K270Q268-K272 WeakPolarHBondContact O-CG 3.47Å; Q268-K272 PolarHBondContact O-N 2.94Å; K269-K272 CarbonylContact O-C 3.54Å; K269-K272 WeakPolarHBondContact O-CA 3.44Å; K269-K272 WeakPolarHBondContact O-CB 3.31Å; K269-K272 PolarHBondContact O-N 3.3Å; K269-K272 VanDerWaalsContact O-N 3.09Å; K270-K272 PolarHBondContact O-N 3.46Å; K270-K272 VanDerWaalsContact O-N 3.16Å
273T71.3Confident69.8Low101 Ų101109.9 Ų109.962%0.6253%0.53SS*.Hα-helixtrans-84.8-34.9-177.752.90000113.5K269 K270 G275K269-T273 HydrophobicContact CG-CG2 4.25Å; K269-T273 WeakPolarHBondContact O-CG2 3.38Å; K269-T273 PolarHBondContact O-N 3.2Å; K269-T273 PolarHBondContact O-OG1 3.38Å; K269-T273 VanDerWaalsContact O-OG1 3.06Å; K270-T273 WeakPolarHBondContact CA-OG1 3.18Å; K270-T273 PolarHBondContact O-N 3.31Å; K270-T273 PolarHBondContact O-OG1 2.95Å; T273-G275 PolarHBondContact O-N 2.89Å
274E62.1Low68.2Low122 Ų122111.9 Ų111.957%0.5754%0.544SS*.SBendtrans-71.7-9.3172.1-67.1159.3-171.800111.1K270 L276K270-E274 WeakPolarHBondContact CB-OE1 3.41Å; K270-E274 WeakPolarHBondContact O-CB 3.36Å; K270-E274 VanDerWaalsContact O-CG 3.32Å; K270-E274 WeakPolarHBondContact O-CG 3.25Å; K270-E274 PolarHBondContact O-N 3.02Å; E274-L276 PolarHBondContact O-N 2.78Å
275G53.8Low66.7Low22 Ų22117.3 Ų117.323%0.22756%0.56CS.*  trans62.52.1166.700000115.2T273 T277 D278 A279T273-G275 PolarHBondContact O-N 2.89Å; G275-T277 PolarHBondContact O-N 2.89Å; G275-D278 PolarHBondContact O-N 2.91Å; G275-D278 VanDerWaalsContact O-N 3.12Å; G275-A279 WeakPolarHBondContact O-CB 3.48Å; G275-A279 PolarHBondContact O-N 3.1Å
276L51.3Low65.2Low108 Ų108115.4 Ų115.457%0.56556%0.557SS**Hα-helixtrans-63.4-27.4-161.9-137.280.5000113.1E274 M280E274-L276 PolarHBondContact O-N 2.78Å; L276-M280 HydrophobicContact CD2-CE 3.85Å; L276-M280 HydrophobicContact CD2-SD 4.37Å; L276-M280 HydrophobicContact CG-CE 4.17Å; L276-M280 HydrophobicContact CG-SD 4.4Å; L276-M280 WeakPolarHBondContact O-CB 3.48Å; L276-M280 WeakPolarHBondContact O-CG 3.46Å; L276-M280 PolarHBondContact O-N 2.9Å
277T53.7Low63.2Low64 Ų64118.3 Ų118.339%0.39357%0.57SS.*Hα-helixtrans-75.3-46.2175.9550000112.5G275 M280 F281G275-T277 PolarHBondContact O-N 2.89Å; T277-M280 PolarHBondContact O-N 2.84Å; T277-F281 WeakPolarHBondContact O-CB 3.05Å; T277-F281 PolarHBondContact O-N 3.37Å
278D56.3Low61.2Low124 Ų124118.6 Ų118.666%0.66358%0.577SS**Hα-helixtrans-78.2-30.1-178.8-66.8-2000111G275 A282G275-D278 PolarHBondContact O-N 2.91Å; G275-D278 VanDerWaalsContact O-N 3.12Å; D278-A282 WeakPolarHBondContact O-CA 3.15Å; D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 3.14Å
279A57.4Low59.8Low51 Ų51122 Ų12242%0.42159%0.589SS.*Hα-helixtrans-75.1-33171.400000112.4G275 K283G275-A279 WeakPolarHBondContact O-CB 3.48Å; G275-A279 PolarHBondContact O-N 3.1Å; A279-K283 VanDerWaalsContact O-CB 3.23Å; A279-K283 WeakPolarHBondContact O-CB 3.39Å; A279-K283 WeakPolarHBondContact O-CG 3.41Å; A279-K283 PolarHBondContact O-N 3.26Å
280M55.2Low57.9Low111 Ų111126.6 Ų126.655%0.54760%0.603SS.*Hα-helixtrans-70.8-44.7169-78.1176.816900111.3L276 T277 A282 K283 L284L276-M280 HydrophobicContact CD2-CE 3.85Å; L276-M280 HydrophobicContact CD2-SD 4.37Å; L276-M280 HydrophobicContact CG-CE 4.17Å; L276-M280 HydrophobicContact CG-SD 4.4Å; L276-M280 WeakPolarHBondContact O-CB 3.48Å; L276-M280 WeakPolarHBondContact O-CG 3.46Å; L276-M280 PolarHBondContact O-N 2.9Å; T277-M280 PolarHBondContact O-N 2.84Å; M280-A282 PolarHBondContact O-N 3.23Å; M280-K283 PolarHBondContact O-N 3.34Å; M280-L284 VanDerWaalsContact O-CB 3.3Å; M280-L284 WeakPolarHBondContact O-CB 3.38Å; M280-L284 WeakPolarHBondContact O-CD1 3.39Å; M280-L284 PolarHBondContact O-N 3.42Å
281F55.8Low56.6Low142 Ų142127.3 Ų127.362%0.62362%0.62SS**Hα-helixtrans-62.5-41.9174.2-110.2-95.5000111.8T277 L284 Q285T277-F281 WeakPolarHBondContact O-CB 3.05Å; T277-F281 PolarHBondContact O-N 3.37Å; F281-L284 PolarHBondContact O-N 3.13Å; F281-Q285 WeakPolarHBondContact O-CB 3.24Å; F281-Q285 WeakPolarHBondContact O-CG 3.31Å; F281-Q285 PolarHBondContact O-N 2.91Å
282A59.4Low55.8Low41 Ų41128.9 Ų128.934%0.33963%0.631SS.*Hα-helixtrans-69.4-32.5175.800000113D278 M280 K286D278-A282 WeakPolarHBondContact O-CA 3.15Å; D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 3.14Å; M280-A282 PolarHBondContact O-N 3.23Å; A282-K286 WeakPolarHBondContact O-CB 3.43Å; A282-K286 VanDerWaalsContact O-CG 3.3Å; A282-K286 WeakPolarHBondContact O-CG 3.5Å; A282-K286 PolarHBondContact O-N 2.89Å
283K56.1Low55Low136 Ų136127.8 Ų127.859%0.59163%0.632SS**Hα-helixtrans-71.2-44.8171.5-84.6-168166-162.90111.9A279 M280 Q285 K286 E287A279-K283 VanDerWaalsContact O-CB 3.23Å; A279-K283 WeakPolarHBondContact O-CB 3.39Å; A279-K283 WeakPolarHBondContact O-CG 3.41Å; A279-K283 PolarHBondContact O-N 3.26Å; M280-K283 PolarHBondContact O-N 3.34Å; K283-Q285 PolarHBondContact O-N 2.9Å; K283-K286 PolarHBondContact O-N 3.06Å; K283-K286 VanDerWaalsContact O-N 3.12Å; K283-E287 PolarHBondContact O-N 2.94Å
284L54Low54.9Low138 Ų138129.5 Ų129.572%0.72364%0.643SS**Hα-helixtrans-60.4-25.2173.8-86.7148.5000112.9M280 F281M280-L284 VanDerWaalsContact O-CB 3.3Å; M280-L284 WeakPolarHBondContact O-CB 3.38Å; M280-L284 WeakPolarHBondContact O-CD1 3.39Å; M280-L284 PolarHBondContact O-N 3.42Å; F281-L284 PolarHBondContact O-N 3.13Å
285Q56.4Low54.8Low151 Ų151129.7 Ų129.771%0.70665%0.647SS**Hα-helixtrans-95.6-21172.3-69.3-172.2-9.300115F281 K283F281-Q285 WeakPolarHBondContact O-CB 3.24Å; F281-Q285 WeakPolarHBondContact O-CG 3.31Å; F281-Q285 PolarHBondContact O-N 2.91Å; K283-Q285 PolarHBondContact O-N 2.9Å
286K54.1Low55.7Low154 Ų154134.2 Ų134.267%0.6767%0.672SS**Hα-helixtrans-96.7-10.1179.5-74.6-179.1171.5176.30115.2A282 K283A282-K286 WeakPolarHBondContact O-CB 3.43Å; A282-K286 VanDerWaalsContact O-CG 3.3Å; A282-K286 WeakPolarHBondContact O-CG 3.5Å; A282-K286 PolarHBondContact O-N 2.89Å; K283-K286 PolarHBondContact O-N 3.06Å; K283-K286 VanDerWaalsContact O-N 3.12Å
287E45.7Very low56.8Low146 Ų146137.5 Ų137.568%0.68268%0.684SS**SBendtrans-106.639.2175.2-70.2175.4-160.700113.1K283K283-E287 PolarHBondContact O-N 2.94Å
288K44.5Very low57.3Low190 Ų190139.7 Ų139.783%0.82670%0.7SS**  trans-12853149.6-77.7-168.5177.9178.90111.4R290K288-R290 PolarHBondContact O-N 2.88Å; K288-R290 VanDerWaalsContact O-N 3.1Å
289K48.5Very low57.9Low191 Ų191143.2 Ų143.283%0.8371%0.712SS**  trans-64.4109.1158.6-69.7-177.2-178.8179.30107.3S291K289-S291 PolarHBondContact O-N 2.9Å
290R47Very low58.5Low242 Ų242144.3 Ų144.391%0.91371%0.71SS**PPolyproline II helixtrans-51.1138.6167.8-71.5178.5171.5178.7-4.3108.1K288 K292K288-R290 PolarHBondContact O-N 2.88Å; K288-R290 VanDerWaalsContact O-N 3.1Å; R290-K292 PolarHBondContact O-N 3.34Å
291S56.3Low59.6Low111 Ų111142.5 Ų142.578%0.77671%0.705SS**PPolyproline II helixtrans-52.7139.6168.540.90000108.9K289 L293K289-S291 PolarHBondContact O-N 2.9Å; S291-L293 PolarHBondContact O-N 2.87Å; S291-L293 VanDerWaalsContact O-N 3.1Å
292K59.4Low60.6Low200 Ų200142.1 Ų142.187%0.8771%0.71SS**PPolyproline II helixtrans-63.9117.4175.2-147.3-179.2-175.2-170.10106.3R290 V294R290-K292 PolarHBondContact O-N 3.34Å; K292-V294 PolarHBondContact O-N 3.25Å
293L56.1Low61.5Low139 Ų139145.3 Ų145.373%0.72873%0.725SS**  trans-66.6103-179-174.773.6000108.1S291 L295S291-L293 PolarHBondContact O-N 2.87Å; S291-L293 VanDerWaalsContact O-N 3.1Å; L293-L295 HydrophobicContact CD2-CD1 3.99Å; L293-L295 HydrophobicContact CD2-CD2 4.09Å; L293-L295 HydrophobicContact CD2-CG 3.84Å; L293-L295 HydrophobicContact CG-CD2 4.46Å; L293-L295 HydrophobicContact CG-CG 4.04Å; L293-L295 PolarHBondContact O-N 3.44Å
294V70.4Confident62.6Low137 Ų137143.3 Ų143.383%0.8372%0.718SS**  trans-81.790.1170.9-177.50000106.7K292K292-V294 PolarHBondContact O-N 3.25Å
295L59.1Low63.5Low126 Ų126140.8 Ų140.866%0.6671%0.705SS**PPolyproline II helixtrans-70.3144.8166.2-74.4161.5000108.8L293L293-L295 HydrophobicContact CD2-CD1 3.99Å; L293-L295 HydrophobicContact CD2-CD2 4.09Å; L293-L295 HydrophobicContact CD2-CG 3.84Å; L293-L295 HydrophobicContact CG-CD2 4.46Å; L293-L295 HydrophobicContact CG-CG 4.04Å; L293-L295 PolarHBondContact O-N 3.44Å
296P72.2Confident64.5Low116 Ų116139.1 Ų139.175%0.75370%0.697SS**PPolyproline II helixtrans-56.8148.7166.7-20.532.5000110.7
297E75.7Confident65.7Low177 Ų177134.7 Ų134.783%0.82769%0.685SS**PPolyproline II helixtrans-60.5139.7172.2-67-177.9159.900110.1Q299E297-Q299 PolarHBondContact O-N 3.26Å
298P63.8Low67Low111 Ų111132.1 Ų132.172%0.72168%0.676SS**PPolyproline II helixtrans-62.8126.3-178.525.7-33.5000110.1I300P298-I300 PolarHBondContact O-N 3.17Å
299Q69.3Low68.4Low198 Ų198126.8 Ų126.893%0.92566%0.659SS**SBendtrans-72.58.4-178.8-66.1-175.6-2800114.1E297E297-Q299 PolarHBondContact O-N 3.26Å
300I70.4Confident69.8Low73 Ų73123.8 Ų123.837%0.37465%0.646SS.*SBendtrans-137.4120.3-177.8-58.6177.3000105.7P298 E304 L305 I308P298-I300 PolarHBondContact O-N 3.17Å; I300-E304 HydrophobicContact CG2-CB 3.57Å; I300-L305 HydrophobicContact CG2-CB 4.3Å; I300-L305 HydrophobicContact CG2-CD1 4.42Å; I300-L305 HydrophobicContact CG2-CG 4.24Å; I300-I308 HydrophobicContact CD1-CD1 4.3Å; I300-I308 HydrophobicContact CG2-CD1 4.06Å
301T76.6Confident71.1Confident73 Ų73117.3 Ų117.345%0.44863%0.628SS.*  trans-68.7153.2176.858.10000110.9T303 E304 L305T301-T303 PolarHBondContact O-N 3.15Å; T301-T303 PolarHBondContact OG1-OG1 2.92Å; T301-E304 WeakPolarHBondContact CB-OE2 3.3Å; T301-E304 PolarHBondContact N-OE2 3.05Å; T301-E304 CarbonylContact O-C 3.48Å; T301-E304 WeakPolarHBondContact O-CA 3.21Å; T301-E304 WeakPolarHBondContact O-CB 3.3Å; T301-E304 PolarHBondContact O-N 3.45Å; T301-E304 VanDerWaalsContact OG1-CD 3.28Å; T301-E304 VanDerWaalsContact OG1-CG 3.3Å; T301-E304 WeakPolarHBondContact OG1-CG 3.47Å; T301-E304 PolarHBondContact OG1-N 3.05Å; T301-E304 PolarHBondContact OG1-OE2 3.47Å; T301-L305 PolarHBondContact O-N 3.06Å
302D76.7Confident71.9Confident135 Ų135113.7 Ų113.772%0.72261%0.609SS**Hα-helixtrans-54.6-31.2177.1-72.8-30.2000112.4L305 E306D302-L305 PolarHBondContact O-N 2.89Å; D302-E306 PolarHBondContact O-N 3.16Å
303T80.1Confident72.6Confident107 Ų107110.6 Ų110.666%0.65660%0.595SS**Hα-helixtrans-66.3-37.1172.938.30000114.2T301 S307T301-T303 PolarHBondContact O-N 3.15Å; T301-T303 PolarHBondContact OG1-OG1 2.92Å; T303-S307 PolarHBondContact O-N 2.97Å; T303-S307 VanDerWaalsContact O-N 3.12Å
304E78.6Confident73.4Confident94 Ų94105.9 Ų105.944%0.43958%0.576SS.*Hα-helixtrans-75.8-33.5173-70.6162.5133.400110.9I300 T301 S307 I308I300-E304 HydrophobicContact CG2-CB 3.57Å; T301-E304 WeakPolarHBondContact CB-OE2 3.3Å; T301-E304 PolarHBondContact N-OE2 3.05Å; T301-E304 CarbonylContact O-C 3.48Å; T301-E304 WeakPolarHBondContact O-CA 3.21Å; T301-E304 WeakPolarHBondContact O-CB 3.3Å; T301-E304 PolarHBondContact O-N 3.45Å; T301-E304 VanDerWaalsContact OG1-CD 3.28Å; T301-E304 VanDerWaalsContact OG1-CG 3.3Å; T301-E304 WeakPolarHBondContact OG1-CG 3.47Å; T301-E304 PolarHBondContact OG1-N 3.05Å; T301-E304 PolarHBondContact OG1-OE2 3.47Å; E304-S307 PolarHBondContact O-N 2.72Å; E304-S307 VanDerWaalsContact O-N 3.14Å; E304-S307 PolarHBondContact O-OG 3.24Å; E304-I308 WeakPolarHBondContact O-CB 3.48Å; E304-I308 WeakPolarHBondContact O-CD1 3.29Å; E304-I308 VanDerWaalsContact O-CG1 3.23Å; E304-I308 WeakPolarHBondContact O-CG1 3.25Å; E304-I308 PolarHBondContact O-N 2.94Å
305L72.5Confident73.3Confident85 Ų85103.8 Ų103.845%0.44556%0.561SS.*Hα-helixtrans-65.1-42.9174.6-126.2152.1000111.1I300 T301 D302 S307 I308 V309I300-L305 HydrophobicContact CG2-CB 4.3Å; I300-L305 HydrophobicContact CG2-CD1 4.42Å; I300-L305 HydrophobicContact CG2-CG 4.24Å; T301-L305 PolarHBondContact O-N 3.06Å; D302-L305 PolarHBondContact O-N 2.89Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.26Å; L305-I308 PolarHBondContact O-N 2.83Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.35Å
306E78.6Confident73.6Confident116 Ų116104 Ų10454%0.54256%0.558SS.*Hα-helixtrans-60.5-38.5168.3-85.9-160.5-162.500113.1D302 V309 K310D302-E306 PolarHBondContact O-N 3.16Å; E306-V309 PolarHBondContact O-N 3Å; E306-K310 WeakPolarHBondContact O-CB 3.22Å; E306-K310 WeakPolarHBondContact O-CD 3.49Å; E306-K310 VanDerWaalsContact O-CG 3.28Å; E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.48Å; E306-K310 IonicContact OE2-NZ 2.66Å; E306-K310 PolarHBondContact OE2-NZ 3.46Å
307S78.2Confident73.6Confident61 Ų61102.6 Ų102.643%0.42755%0.548SS..Hα-helixtrans-69-40.9179.786.10000111.1T303 E304 L305 K310 L311T303-S307 PolarHBondContact O-N 2.97Å; T303-S307 VanDerWaalsContact O-N 3.12Å; E304-S307 PolarHBondContact O-N 2.72Å; E304-S307 VanDerWaalsContact O-N 3.14Å; E304-S307 PolarHBondContact O-OG 3.24Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.26Å; S307-K310 PolarHBondContact O-N 3.05Å; S307-L311 WeakPolarHBondContact O-CB 3.23Å; S307-L311 PolarHBondContact O-N 2.59Å
308I72.5Confident73.2Confident93 Ų9399.1 Ų99.148%0.47753%0.534SS..Hα-helixtrans-63.8-41.6174.5-67.6161.9000110.9I300 E304 L305 L311 G312I300-I308 HydrophobicContact CD1-CD1 4.3Å; I300-I308 HydrophobicContact CG2-CD1 4.06Å; E304-I308 WeakPolarHBondContact O-CB 3.48Å; E304-I308 WeakPolarHBondContact O-CD1 3.29Å; E304-I308 VanDerWaalsContact O-CG1 3.23Å; E304-I308 WeakPolarHBondContact O-CG1 3.25Å; E304-I308 PolarHBondContact O-N 2.94Å; L305-I308 PolarHBondContact O-N 2.83Å; I308-L311 PolarHBondContact O-N 2.72Å; I308-G312 PolarHBondContact O-N 3.08Å
309V74.5Confident73.2Confident77 Ų7799.5 Ų99.547%0.46752%0.521SS..Hα-helixtrans-65.7-38.5174.7170.90000111.7L305 E306 G312 K313L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.35Å; E306-V309 PolarHBondContact O-N 3Å; V309-G312 PolarHBondContact O-N 2.92Å; V309-K313 WeakPolarHBondContact O-CG 3.48Å; V309-K313 PolarHBondContact O-N 3.18Å
310K77.9Confident73Confident129 Ų12994.8 Ų94.856%0.56150%0.502SS*.Hα-helixtrans-66.1-39.2174.1-74.6163.3-1731540111.7E306 S307 A314E306-K310 WeakPolarHBondContact O-CB 3.22Å; E306-K310 WeakPolarHBondContact O-CD 3.49Å; E306-K310 VanDerWaalsContact O-CG 3.28Å; E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.48Å; E306-K310 IonicContact OE2-NZ 2.66Å; E306-K310 PolarHBondContact OE2-NZ 3.46Å; S307-K310 PolarHBondContact O-N 3.05Å; K310-A314 WeakPolarHBondContact O-CB 3.25Å; K310-A314 PolarHBondContact O-N 3.07Å
311L75Confident72.9Confident105 Ų10597.5 Ų97.555%0.5552%0.517SS..Hα-helixtrans-71.4-37.4177.3-142.8163.3000111.4S307 I308 A314 N315S307-L311 WeakPolarHBondContact O-CB 3.23Å; S307-L311 PolarHBondContact O-N 2.59Å; I308-L311 PolarHBondContact O-N 2.72Å; L311-A314 PolarHBondContact O-N 2.91Å; L311-N315 WeakPolarHBondContact O-CB 3.47Å; L311-N315 VanDerWaalsContact O-CG 3.24Å; L311-N315 PolarHBondContact O-N 3.04Å; L311-N315 PolarHBondContact O-ND2 3.48Å
312G72.1Confident72.2Confident35 Ų3596.2 Ų96.236%0.36151%0.513SS..Hα-helixtrans-60.5-49.4171.200000112.2I308 V309 A314 N315 E316I308-G312 PolarHBondContact O-N 3.08Å; V309-G312 PolarHBondContact O-N 2.92Å; G312-A314 VanDerWaalsContact C-N 3.34Å; G312-A314 PolarHBondContact O-N 2.97Å; G312-N315 PolarHBondContact O-N 3.42Å; G312-E316 PolarHBondContact O-N 2.87Å
313K75.1Confident71.5Confident135 Ų13596 Ų9659%0.58751%0.512SS*.Hα-helixtrans-62.2-38.4173.8-74.9-174.8176.1-172.50112.8V309 N315 E316 T317V309-K313 WeakPolarHBondContact O-CG 3.48Å; V309-K313 PolarHBondContact O-N 3.18Å; K313-N315 VanDerWaalsContact C-N 3.34Å; K313-E316 PolarHBondContact O-N 2.89Å; K313-T317 WeakPolarHBondContact O-CG2 3.46Å; K313-T317 PolarHBondContact O-N 3.27Å; K313-T317 PolarHBondContact O-OG1 3.37Å
314A72Confident70.7Confident40 Ų4097.9 Ų97.933%0.33152%0.517SS..Hα-helixtrans-60.8-45.5173.500000110.9K310 L311 G312 T317 I318K310-A314 WeakPolarHBondContact O-CB 3.25Å; K310-A314 PolarHBondContact O-N 3.07Å; L311-A314 PolarHBondContact O-N 2.91Å; G312-A314 VanDerWaalsContact C-N 3.34Å; G312-A314 PolarHBondContact O-N 2.97Å; A314-T317 WeakPolarHBondContact CA-OG1 3.42Å; A314-T317 PolarHBondContact O-N 3.39Å; A314-T317 PolarHBondContact O-OG1 3.26Å; A314-I318 WeakPolarHBondContact O-CB 3.39Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.47Å
315N68.4Low69.7Low94 Ų9498.9 Ų98.950%0.50353%0.525SS..Hα-helixtrans-65.2-37.7177-69.8-16.7000112.8L311 G312 K313 I318 R319L311-N315 WeakPolarHBondContact O-CB 3.47Å; L311-N315 VanDerWaalsContact O-CG 3.24Å; L311-N315 PolarHBondContact O-N 3.04Å; L311-N315 PolarHBondContact O-ND2 3.48Å; G312-N315 PolarHBondContact O-N 3.42Å; K313-N315 VanDerWaalsContact C-N 3.34Å; N315-I318 PolarHBondContact O-N 2.82Å; N315-R319 WeakPolarHBondContact O-CB 3.34Å; N315-R319 PolarHBondContact O-N 3.44Å
316E66.5Low68.7Low130 Ų130104 Ų10461%0.60755%0.547SS*.Hα-helixtrans-61.6-49.7170.1-82-175138.800111.3G312 K313 I318 R319 D320G312-E316 PolarHBondContact O-N 2.87Å; K313-E316 PolarHBondContact O-N 2.89Å; E316-I318 PolarHBondContact O-N 2.71Å; E316-R319 CarbonylContact O-C 3.59Å; E316-R319 WeakPolarHBondContact O-CA 3.31Å; E316-R319 WeakPolarHBondContact O-CB 3.47Å; E316-R319 PolarHBondContact O-N 3.43Å; E316-D320 PolarHBondContact O-N 2.96Å
317T70.9Confident67.6Low87 Ų87104.3 Ų104.353%0.53455%0.552SS.*Hα-helixtrans-62.1-31.6178.157.50000112.8K313 A314 L321K313-T317 WeakPolarHBondContact O-CG2 3.46Å; K313-T317 PolarHBondContact O-N 3.27Å; K313-T317 PolarHBondContact O-OG1 3.37Å; A314-T317 WeakPolarHBondContact CA-OG1 3.42Å; A314-T317 PolarHBondContact O-N 3.39Å; A314-T317 PolarHBondContact O-OG1 3.26Å; T317-L321 WeakPolarHBondContact O-CB 3.38Å; T317-L321 PolarHBondContact O-N 2.95Å
318I67.5Low66.5Low104 Ų104104.5 Ų104.553%0.53356%0.564SS.*Hα-helixtrans-72.6-36.8173.3-68.7164000111A314 N315 E316 L321 A322A314-I318 WeakPolarHBondContact O-CB 3.39Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.47Å; N315-I318 PolarHBondContact O-N 2.82Å; E316-I318 PolarHBondContact O-N 2.71Å; I318-L321 PolarHBondContact O-N 3.03Å; I318-A322 VanDerWaalsContact O-CB 3.22Å; I318-A322 WeakPolarHBondContact O-CB 3.45Å; I318-A322 PolarHBondContact O-N 2.87Å
319R63.7Low65.8Low118 Ų118104.1 Ų104.145%0.44557%0.574SS.*Hα-helixtrans-64.7-44174-164.9171.5-174.9152.91.5110.5N315 E316 A322 L323 D336N315-R319 WeakPolarHBondContact O-CB 3.34Å; N315-R319 PolarHBondContact O-N 3.44Å; E316-R319 CarbonylContact O-C 3.59Å; E316-R319 WeakPolarHBondContact O-CA 3.31Å; E316-R319 WeakPolarHBondContact O-CB 3.47Å; E316-R319 PolarHBondContact O-N 3.43Å; R319-A322 PolarHBondContact O-N 3.37Å; R319-L323 HydrophobicContact CG-CD1 4.43Å; R319-L323 WeakPolarHBondContact O-CB 3.45Å; R319-L323 VanDerWaalsContact O-CG 3.25Å; R319-L323 WeakPolarHBondContact O-CG 3.1Å; R319-L323 PolarHBondContact O-N 3.32Å; R319-D336 IonicContact CZ-OD1 3.85Å; R319-D336 IonicContact NH1-OD1 2.72Å; R319-D336 PolarHBondContact NH1-OD1 2.85Å; R319-D336 IonicContact NH2-OD1 2.69Å; R319-D336 PolarHBondContact NH2-OD1 2.98Å; R319-D336 IonicContact NH2-OD2 3.4Å
320D66.3Low65Low99 Ų99104.7 Ų104.753%0.52958%0.578SS.*Hα-helixtrans-64.5-43.1174.4-76.2-10.3000112.1E316 A322 L323 L324E316-D320 PolarHBondContact O-N 2.96Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 2.92Å; D320-L323 PolarHBondContact O-N 3.42Å; D320-L324 WeakPolarHBondContact O-CG 3.35Å; D320-L324 PolarHBondContact O-N 3.28Å; D320-L324 VanDerWaalsContact O-N 3.09Å
321L67.9Low64Low131 Ų131102.6 Ų102.669%0.68658%0.58SS**Hα-helixtrans-64.8-33.9175.8-138.792.1000112.4T317 I318 L324T317-L321 WeakPolarHBondContact O-CB 3.38Å; T317-L321 PolarHBondContact O-N 2.95Å; I318-L321 PolarHBondContact O-N 3.03Å; L321-L324 PolarHBondContact O-N 3.39Å
322A61.9Low63.4Low46 Ų46101.8 Ų101.838%0.3859%0.588SS.*Hα-helixtrans-74.7-31.317600000112.6I318 R319 D320 L324 N325I318-A322 VanDerWaalsContact O-CB 3.22Å; I318-A322 WeakPolarHBondContact O-CB 3.45Å; I318-A322 PolarHBondContact O-N 2.87Å; R319-A322 PolarHBondContact O-N 3.37Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 2.92Å; A322-L324 VanDerWaalsContact C-N 3.29Å; A322-N325 PolarHBondContact O-N 3.22Å
323L61Low62.8Low131 Ų131107 Ų10769%0.68661%0.607SS**Hα-helixtrans-70.7-24.5172.1-73.8168.6000112.6R319 D320R319-L323 HydrophobicContact CG-CD1 4.43Å; R319-L323 WeakPolarHBondContact O-CB 3.45Å; R319-L323 VanDerWaalsContact O-CG 3.25Å; R319-L323 WeakPolarHBondContact O-CG 3.1Å; R319-L323 PolarHBondContact O-N 3.32Å; D320-L323 PolarHBondContact O-N 3.42Å
324L63.8Low62Low146 Ų146105.3 Ų105.376%0.76460%0.604SS**THydrogen-bonded Turntrans-82.6-6.1175.9-72.2170.2000114.6D320 L321 A322D320-L324 WeakPolarHBondContact O-CG 3.35Å; D320-L324 PolarHBondContact O-N 3.28Å; D320-L324 VanDerWaalsContact O-N 3.09Å; L321-L324 PolarHBondContact O-N 3.39Å; A322-L324 VanDerWaalsContact C-N 3.29Å
325N57.6Low61.4Low115 Ų115107.8 Ų107.862%0.61562%0.617SS**SBendtrans-114.9111.2-176.4-158.413.9000110.7A322 N327A322-N325 PolarHBondContact O-N 3.22Å; N325-N327 PolarHBondContact O-N 2.87Å
326E50.6Low60.5Low191 Ų191108.2 Ų108.289%0.89362%0.619SS**  trans-64.72.9-161.2-60.3-175.613400116.8G328E326-G328 PolarHBondContact O-N 2.73Å; E326-G328 VanDerWaalsContact O-N 3.09Å
327N55.5Low59.8Low124 Ų124110.7 Ų110.766%0.66363%0.628SS**  trans-84.881.5179.1-75.6-21.2000111.7N325 A329N325-N327 PolarHBondContact O-N 2.87Å; N327-A329 PolarHBondContact O-N 3.37Å
328G55.6Low58.7Low65 Ų65111.7 Ų111.767%0.6764%0.639SS**THydrogen-bonded Turntrans-62.723.2-176.900000118.2E326E326-G328 PolarHBondContact O-N 2.73Å; E326-G328 VanDerWaalsContact O-N 3.09Å
329A57.3Low57.5Low84 Ų84112 Ų11269%0.69465%0.65SS**THydrogen-bonded Turntrans-87.4-21.3174.900000113.6N327N327-A329 PolarHBondContact O-N 3.37Å
330T58.7Low56.8Low90 Ų90112.2 Ų112.255%0.55266%0.664SS**SBendtrans-96.5-17.8-174.950.20000114.4A332 L333T330-A332 VanDerWaalsContact C-N 3.25Å; T330-A332 PolarHBondContact O-N 3.38Å; T330-L333 PolarHBondContact O-N 3.04Å
331S57.6Low55.9Low85 Ų85113.2 Ų113.259%0.59468%0.677SS**G310 helixtrans-66.1-25-179.360.40000113.7L333S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.36Å
332A61.7Low54.7Low87 Ų87113.8 Ų113.872%0.71968%0.68SS**G310 helixtrans-79.9-4-177.700000115T330T330-A332 VanDerWaalsContact C-N 3.25Å; T330-A332 PolarHBondContact O-N 3.38Å
333L60.2Low53.8Low144 Ų144118.1 Ų118.175%0.75470%0.702SS**G310 helixtrans-1042.5-176.3-67.3176.9000114.4T330 S331T330-L333 PolarHBondContact O-N 3.04Å; S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.36Å
334L58.3Low53Low100 Ų100118.1 Ų118.152%0.52470%0.702SS.*SBendtrans-103.8110.3175-65.6177.6000109.7
335P58.9Low51.8Low93 Ų93120.5 Ų120.560%0.60471%0.71SS**  trans-73.9129.3-178.6-13.328.5000111.8F337P335-F337 HydrophobicContact CB-CD2 4.26Å; P335-F337 HydrophobicContact CB-CE2 3.85Å; P335-F337 HydrophobicContact CB-CZ 4.47Å; P335-F337 HydrophobicContact CG-CE2 4.27Å; P335-F337 WeakPolarHBondContact O-CD2 3.33Å; P335-F337 PolarHBondContact O-N 3.17Å
336D48.2Very low50.8Low103 Ų103123 Ų12355%0.55172%0.722SS**  trans-74.9108.4171.8-82.6-29.3000110.9R319 S338R319-D336 IonicContact CZ-OD1 3.85Å; R319-D336 IonicContact NH1-OD1 2.72Å; R319-D336 PolarHBondContact NH1-OD1 2.85Å; R319-D336 IonicContact NH2-OD1 2.69Å; R319-D336 PolarHBondContact NH2-OD1 2.98Å; R319-D336 IonicContact NH2-OD2 3.4Å; D336-S338 VanDerWaalsContact C-N 3.31Å
337F52.9Low50.4Low182 Ų182125 Ų12580%0.79872%0.721SS**  trans-90.821.3173.9-77.1-80.4000113.5P335 S339P335-F337 HydrophobicContact CB-CD2 4.26Å; P335-F337 HydrophobicContact CB-CE2 3.85Å; P335-F337 HydrophobicContact CB-CZ 4.47Å; P335-F337 HydrophobicContact CG-CE2 4.27Å; P335-F337 WeakPolarHBondContact O-CD2 3.33Å; P335-F337 PolarHBondContact O-N 3.17Å; F337-S339 PolarHBondContact O-N 3.34Å
338S48.4Very low49.8Very low108 Ų108124.5 Ų124.576%0.75572%0.723SS**  trans-80.931.6-171.955.90000115.2D336D336-S338 VanDerWaalsContact C-N 3.31Å
339S42.4Very low49.3Very low111 Ų111127.7 Ų127.778%0.77673%0.732SS**  trans-116.747.7-173.556.10000114.5F337F337-S339 PolarHBondContact O-N 3.34Å
340T47.7Very low48.4Very low121 Ų121131 Ų13174%0.74274%0.735SS**SBendtrans-125.1136.4162.752.70000110.4
341P47.5Very low47.5Very low121 Ų121134.1 Ų134.179%0.78675%0.748SS**  trans-66.4140.9-172.427.3-34.6000112.3
342N42.8Very low46.6Very low142 Ų142135 Ų13576%0.75976%0.76SS**  trans-58.5140.6-166.7-121.94.6000114.3
343V43.3Very low45.8Very low138 Ų138137.2 Ų137.284%0.83676%0.758SS**  trans-114.631.1-179.8-1620000111.2
344D44Very low45Very low131 Ų131139.5 Ų139.570%0.70177%0.765SS**  trans-108.61.4-168.2-90.9-23000116L346D344-L346 PolarHBondContact O-N 3.26Å
345E38.8Very low44.9Very low196 Ų196138 Ų13892%0.91677%0.773SS**  trans-78.428.7-179.3-63.9-166.8163.400114.6
346L37.6Very low44.8Very low167 Ų167142 Ų14287%0.87479%0.785SS**  trans-134.158.8178.8-81.1174.1000113D344D344-L346 PolarHBondContact O-N 3.26Å
347R40.7Very low45.8Very low232 Ų232141.2 Ų141.288%0.87578%0.78SS**  trans-152.2131.8154.2-118.3165-174.9-161.3-0.7116
348T43.8Very low46.8Very low114 Ų114133.4 Ų133.470%0.69975%0.749SS**  trans0.6134155.651.10000118.3M350T348-M350 PolarHBondContact O-N 2.95Å
349P45.2Very low48Very low133 Ų133130 Ų13086%0.86472%0.722SS**PPolyproline II helixtrans-59.6123.8174.327.2-34.2000110.5
350M38.7Very low49.6Very low154 Ų154127.1 Ų127.176%0.75970%0.697SS**PPolyproline II helixtrans-68.6147.3174.8-152.7-168.383.800110T348 A352 I353T348-M350 PolarHBondContact O-N 2.95Å; M350-A352 PolarHBondContact O-N 3.12Å; M350-I353 HydrophobicContact CE-CD1 3.91Å; M350-I353 HydrophobicContact CE-CG1 4.4Å
351L39.4Very low51.2Low155 Ų155123 Ų12381%0.81267%0.67SS**PPolyproline II helixtrans-57.2133177.6-69.4157.4000110.9I353L351-I353 PolarHBondContact O-N 2.94Å
352A38.4Very low52.7Low104 Ų104117.9 Ų117.986%0.8664%0.636SS**PPolyproline II helixtrans-67.2120.1174.400000110M350M350-A352 PolarHBondContact O-N 3.12Å
353I43.9Very low54.6Low133 Ų133111.9 Ų111.968%0.68261%0.606SS**PPolyproline II helixtrans-83.4118176.2-66.4171.1000108.7M350 L351 G355M350-I353 HydrophobicContact CE-CD1 3.91Å; M350-I353 HydrophobicContact CE-CG1 4.4Å; L351-I353 PolarHBondContact O-N 2.94Å; I353-G355 PolarHBondContact O-N 3.47Å
354E45.1Very low56.5Low191 Ų191109.8 Ų109.889%0.89359%0.587SS**  trans4737.5153.7-58.2-172.2147.100119.3
355G55Low58.5Low68 Ų68104 Ų10470%0.70156%0.556SS**  trans-76.3117.5152.900000109.9I353 D357I353-G355 PolarHBondContact O-N 3.47Å; G355-D357 PolarHBondContact O-N 2.97Å
356Q58.1Low60.3Low179 Ų17996.3 Ų96.384%0.83652%0.521SS*.  trans-53.1129.3-179.8-70.7178.2-17.200111.6A358Q356-A358 PolarHBondContact O-N 3.14Å
357D67.7Low62.4Low86 Ų8691.6 Ų91.646%0.4650%0.496SS..  trans-63.395.7-176.9-120.5-14.3000110.1K110 G355 I359 M360 L361K110-D357 IonicContact NZ-OD2 3.02Å; G355-D357 PolarHBondContact O-N 2.97Å; D357-I359 PolarHBondContact O-N 3.43Å; D357-M360 HydrophobicContact CB-CB 3.79Å; D357-M360 HydrophobicContact CB-CG 3.61Å; D357-M360 WeakPolarHBondContact O-CA 3.4Å; D357-M360 WeakPolarHBondContact O-CB 3.41Å; D357-M360 PolarHBondContact O-N 2.84Å; D357-L361 PolarHBondContact O-N 2.91Å
358A75.2Confident64.3Low17 Ų1784 Ų8414%0.1447%0.469CS..Hα-helixtrans-51.1-35.4-177.700000113.5Q356 E362 P388 F389Q356-A358 PolarHBondContact O-N 3.14Å; A358-E362 PolarHBondContact O-N 2.85Å; A358-E362 VanDerWaalsContact O-N 3.12Å; A358-P388 HydrophobicContact CB-CG 3.56Å; A358-F389 HydrophobicContact CB-CE2 4.26Å
359I71.7Confident65.9Low36 Ų3682.6 Ų82.619%0.18546%0.457CS..Hα-helixtrans-69.7-40.3178-57.6172.4000111R65 E69 L72 D357 E362 A363R65-I359 HydrophobicContact CG-CD1 4.11Å; E69-I359 HydrophobicContact CG-CD1 3.85Å; E69-I359 HydrophobicContact CG-CG1 4.07Å; L72-I359 HydrophobicContact CD1-CG2 3.76Å; D357-I359 PolarHBondContact O-N 3.43Å; I359-E362 PolarHBondContact O-N 3.26Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 3.05Å
360M77.2Confident67.4Low51 Ų5183.5 Ų83.525%0.25145%0.45SS..Hα-helixtrans-66.7-41.5176.1-69.2-67.6-45.400111.2A107 K110 D357 E362 A363 E364A107-M360 HydrophobicContact CB-CE 4.26Å; K110-M360 HydrophobicContact CB-CE 4.05Å; K110-M360 HydrophobicContact CD-CE 3.39Å; K110-M360 HydrophobicContact CD-SD 3.57Å; K110-M360 VanDerWaalsContact CD-SD 3.57Å; K110-M360 HydrophobicContact CG-CE 4.4Å; K110-M360 PolarHBondContact NZ-SD 2.91Å; D357-M360 HydrophobicContact CB-CB 3.79Å; D357-M360 HydrophobicContact CB-CG 3.61Å; D357-M360 WeakPolarHBondContact O-CA 3.4Å; D357-M360 WeakPolarHBondContact O-CB 3.41Å; D357-M360 PolarHBondContact O-N 2.84Å; M360-E362 PolarHBondContact O-N 3.19Å; M360-A363 PolarHBondContact O-N 3.44Å; M360-E364 WeakPolarHBondContact O-CB 3.34Å; M360-E364 PolarHBondContact O-N 3.36Å
361L81Confident69.1Low34 Ų3481.7 Ų81.718%0.17844%0.443CS..Hα-helixtrans-62.7-40.5177.6-17470.4000111.8D357 E364 N365D357-L361 PolarHBondContact O-N 2.91Å; L361-E364 PolarHBondContact O-N 3.31Å; L361-N365 WeakPolarHBondContact O-CB 3.47Å; L361-N365 PolarHBondContact O-N 2.93Å
362E80Confident70.5Confident15 Ų1576.6 Ų76.67%0.0742%0.419CS..Hα-helixtrans-69.1-37.1174.9-176.9161.9-139.300112.5K76 A358 I359 M360 N365 L366 F389K76-E362 IonicContact NZ-OE1 2.61Å; K76-E362 PolarHBondContact NZ-OE1 2.89Å; A358-E362 PolarHBondContact O-N 2.85Å; A358-E362 VanDerWaalsContact O-N 3.12Å; I359-E362 PolarHBondContact O-N 3.26Å; M360-E362 PolarHBondContact O-N 3.19Å; E362-N365 PolarHBondContact O-N 3.29Å; E362-L366 WeakPolarHBondContact O-CB 3.45Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 2.96Å; E362-F389 HydrophobicContact CB-CD2 4.38Å; E362-F389 HydrophobicContact CB-CE2 4.19Å
363A81.5Confident72Confident15 Ų1576.8 Ų76.812%0.12440%0.402CS..Hα-helixtrans-62.9-42.9173.800000112A107 I359 M360 L366 L367A107-A363 HydrophobicContact CB-CB 4.11Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 3.05Å; M360-A363 PolarHBondContact O-N 3.44Å; A363-L366 WeakPolarHBondContact O-CB 3.28Å; A363-L366 PolarHBondContact O-N 3.39Å; A363-L367 PolarHBondContact O-N 3.23Å
364E83.3Confident73.1Confident95 Ų9575.2 Ų75.244%0.44440%0.398SS..Hα-helixtrans-63.7-43.4175.1-166.5-165.315000111.7M360 L361 L366 L367 K368M360-E364 WeakPolarHBondContact O-CB 3.34Å; M360-E364 PolarHBondContact O-N 3.36Å; L361-E364 PolarHBondContact O-N 3.31Å; E364-L366 VanDerWaalsContact C-N 3.31Å; E364-L366 PolarHBondContact O-N 3.3Å; E364-L367 PolarHBondContact O-N 3.43Å; E364-K368 WeakPolarHBondContact O-CG 3.25Å; E364-K368 PolarHBondContact O-N 3.13Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 2.64Å; E364-K368 PolarHBondContact OE1-NZ 3.02Å
365N85.3Confident74Confident9 Ų971.9 Ų71.95%0.04839%0.393CS..Hα-helixtrans-64-33.8176-80.3-14000112.7L361 E362 L369 L384 P385L361-N365 WeakPolarHBondContact O-CB 3.47Å; L361-N365 PolarHBondContact O-N 2.93Å; E362-N365 PolarHBondContact O-N 3.29Å; N365-L369 WeakPolarHBondContact O-CG 3.29Å; N365-L369 PolarHBondContact O-N 3.39Å; N365-L369 VanDerWaalsContact O-N 3.13Å; N365-L384 HydrophobicContact CB-CD2 4.22Å; N365-P385 PolarHBondContact ND2-O 3.02Å; N365-P385 WeakPolarHBondContact OD1-CD 3.45Å
366L78.2Confident74.5Confident35 Ų3576.7 Ų76.718%0.18340%0.402CS..Hα-helixtrans-67.3-42.6172.1-84.2172.9000112.3K76 E362 A363 E364 K368 L369 Q370K76-L366 HydrophobicContact CB-CD2 4.31Å; K76-L366 HydrophobicContact CD-CD1 4.26Å; K76-L366 HydrophobicContact CD-CD2 3.74Å; K76-L366 HydrophobicContact CD-CG 4.26Å; K76-L366 HydrophobicContact CG-CD2 3.83Å; E362-L366 WeakPolarHBondContact O-CB 3.45Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 2.96Å; A363-L366 WeakPolarHBondContact O-CB 3.28Å; A363-L366 PolarHBondContact O-N 3.39Å; E364-L366 VanDerWaalsContact C-N 3.31Å; E364-L366 PolarHBondContact O-N 3.3Å; L366-K368 VanDerWaalsContact C-N 3.35Å; L366-L369 WeakPolarHBondContact O-CB 3.3Å; L366-L369 PolarHBondContact O-N 2.96Å; L366-L369 VanDerWaalsContact O-N 3.15Å; L366-Q370 PolarHBondContact O-N 3.49Å
367L81.9Confident75Confident68 Ų6874.7 Ų74.736%0.35639%0.39SS..Hα-helixtrans-64.2-41.7178.1-155.4160.8000110.7V108 A363 E364 L369 Q370 N371V108-L367 HydrophobicContact CG2-CD1 3.98Å; A363-L367 PolarHBondContact O-N 3.23Å; E364-L367 PolarHBondContact O-N 3.43Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 PolarHBondContact O-N 3.5Å; L367-Q370 PolarHBondContact O-N 2.87Å; L367-N371 WeakPolarHBondContact CD2-ND2 3.46Å; L367-N371 PolarHBondContact O-N 2.83Å
368K79.6Confident74.7Confident72 Ų7273.8 Ų73.831%0.31340%0.401SS..Hα-helixtrans-58.8-38.5171.2-73.7173.1-173.9165.70113E364 L366 V372 L384E364-K368 WeakPolarHBondContact O-CG 3.25Å; E364-K368 PolarHBondContact O-N 3.13Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 2.64Å; E364-K368 PolarHBondContact OE1-NZ 3.02Å; L366-K368 VanDerWaalsContact C-N 3.35Å; K368-V372 WeakPolarHBondContact O-CG2 3.31Å; K368-L384 HydrophobicContact CB-CD2 3.84Å; K368-L384 HydrophobicContact CD-CD2 4.06Å
369L76.8Confident74.4Confident85 Ų8574.9 Ų74.945%0.44542%0.415SS..Hα-helixtrans-72.2-36.5176.4-79.4169.5000113.3N365 L366 L367 N371 V372 L384N365-L369 WeakPolarHBondContact O-CG 3.29Å; N365-L369 PolarHBondContact O-N 3.39Å; N365-L369 VanDerWaalsContact O-N 3.13Å; L366-L369 WeakPolarHBondContact O-CB 3.3Å; L366-L369 PolarHBondContact O-N 2.96Å; L366-L369 VanDerWaalsContact O-N 3.15Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 PolarHBondContact O-N 3.5Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 3.43Å; L369-V372 WeakPolarHBondContact O-CG2 3.34Å; L369-V372 PolarHBondContact O-N 3.49Å; L369-L384 HydrophobicContact CD1-CD1 3.98Å; L369-L384 HydrophobicContact CD2-CD1 3.96Å; L369-L384 HydrophobicContact CG-CD1 3.86Å
370Q77Confident74.2Confident151 Ų15181.2 Ų81.271%0.70645%0.448SS*.Hα-helixtrans-68.8-29.2179.1-174.7172-14.300112.5L366 L367L366-Q370 PolarHBondContact O-N 3.49Å; L367-Q370 PolarHBondContact O-N 2.87Å
371N74.3Confident73.8Confident117 Ų11785.3 Ų85.363%0.62647%0.471SS*.THydrogen-bonded Turntrans-87.23.8-179.3-70.6-6.2000114.5L367 L369 E373L367-N371 WeakPolarHBondContact CD2-ND2 3.46Å; L367-N371 PolarHBondContact O-N 2.83Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 3.43Å; N371-E373 PolarHBondContact O-N 3.3Å
372V69.2Low73.2Confident48 Ų4886 Ų8629%0.29148%0.477SS..PPolyproline II helixtrans-77.7122.7179.8-169.40000110.7K368 L369 P382K368-V372 WeakPolarHBondContact O-CG2 3.31Å; L369-V372 WeakPolarHBondContact O-CG2 3.34Å; L369-V372 PolarHBondContact O-N 3.49Å; V372-P382 VanDerWaalsContact CG2-CD 3.48Å; V372-P382 HydrophobicContact CG2-CG 3.5Å; V372-P382 VanDerWaalsContact CG2-CG 3.5Å
373E70.4Confident72.9Confident108 Ų10891.9 Ų91.951%0.50551%0.514SS..PPolyproline II helixtrans-63.8141.3171.3-57.9-155.6123.900111.1N371 K377N371-E373 PolarHBondContact O-N 3.3Å; E373-K377 IonicContact OE1-NZ 2.76Å; E373-K377 PolarHBondContact OE1-NZ 2.88Å; E373-K377 WeakPolarHBondContact OE2-CD 3.37Å; E373-K377 WeakPolarHBondContact OE2-CE 3.45Å; E373-K377 IonicContact OE2-NZ 2.64Å; E373-K377 PolarHBondContact OE2-NZ 3.09Å
374T66.9Low72.3Confident99 Ų9994.2 Ų94.261%0.60752%0.524SS*.PPolyproline II helixtrans-59.5146-174.755.70000112.1L376 K377T374-L376 PolarHBondContact O-N 3.46Å; T374-K377 PolarHBondContact O-N 2.96Å
375P64.1Low71.8Confident121 Ų12193 Ų9379%0.78652%0.524SS*.G310 helixtrans-61-15.1-170.921.6-33.9000114.7K377 G378P375-K377 PolarHBondContact O-N 3.37Å; P375-G378 PolarHBondContact O-N 3.29Å
376L65.9Low71Confident170 Ų170101.6 Ų101.689%0.8956%0.564SS**G310 helixtrans-61.8-22.6171.7-172.162.4000113.2T374T374-L376 PolarHBondContact O-N 3.46Å
377K67.6Low70.6Confident136 Ų136102.1 Ų102.159%0.59157%0.571SS**G310 helixtrans-96.30.8-176.3-151.8172.9168.6-137.10113.9E373 T374 P375E373-K377 IonicContact OE1-NZ 2.76Å; E373-K377 PolarHBondContact OE1-NZ 2.88Å; E373-K377 WeakPolarHBondContact OE2-CD 3.37Å; E373-K377 WeakPolarHBondContact OE2-CE 3.45Å; E373-K377 IonicContact OE2-NZ 2.64Å; E373-K377 PolarHBondContact OE2-NZ 3.09Å; T374-K377 PolarHBondContact O-N 2.96Å; P375-K377 PolarHBondContact O-N 3.37Å
378G62.2Low69.9Low67 Ų67101.2 Ų101.269%0.69157%0.569SS**  trans77.616.6173.900000116P375P375-G378 PolarHBondContact O-N 3.29Å
379G68.2Low69.4Low41 Ų4199.1 Ų99.142%0.42356%0.56SS.*PPolyproline II helixtrans-67.8144.9174.800000112.9
380L67.7Low69Low168 Ų16897.8 Ų97.888%0.8857%0.566SS**PPolyproline II helixtrans-75.3137.3170.7-64.3172.9000109.9
381N68.9Low68.8Low137 Ų13792.3 Ų92.373%0.73355%0.551SS**PPolyproline II helixtrans-61.1137.4173.4-79.8-20.5000110.6
382P69.2Low68.6Low48 Ų4890.5 Ų90.531%0.31254%0.544SS..PPolyproline II helixtrans-67139.3175.830.1-36.6000110.9V372 L384V372-P382 VanDerWaalsContact CG2-CD 3.48Å; V372-P382 HydrophobicContact CG2-CG 3.5Å; V372-P382 VanDerWaalsContact CG2-CG 3.5Å; P382-L384 PolarHBondContact O-N 3.05Å
383V71.9Confident68.4Low139 Ų13992.1 Ų92.184%0.84255%0.554SS**  trans-76.4113.5171.9-177.10000108.3
384L70.2Confident68.1Low65 Ų6588 Ų8834%0.3454%0.536SS..PPolyproline II helixtrans-98130.1177.7-61.1175.1000110N365 K368 L369 P382N365-L384 HydrophobicContact CB-CD2 4.22Å; K368-L384 HydrophobicContact CB-CD2 3.84Å; K368-L384 HydrophobicContact CD-CD2 4.06Å; L369-L384 HydrophobicContact CD1-CD1 3.98Å; L369-L384 HydrophobicContact CD2-CD1 3.96Å; L369-L384 HydrophobicContact CG-CD1 3.86Å; P382-L384 PolarHBondContact O-N 3.05Å
385P72.2Confident68.2Low68 Ų6892.5 Ų92.544%0.44254%0.542SS..PPolyproline II helixtrans-59.8148.7168.4-22.533.6000112N365 S387N365-P385 PolarHBondContact ND2-O 3.02Å; N365-P385 WeakPolarHBondContact OD1-CD 3.45Å; P385-S387 PolarHBondContact O-N 2.73Å
386E69.6Low68Low190 Ų19095.7 Ų95.789%0.88854%0.539SS*.PPolyproline II helixtrans-59.5128.4177.1-66.5-165166.100111.2
387S68.3Low67.8Low46 Ų4695.6 Ų95.632%0.32253%0.534SS..PPolyproline II helixtrans-84.4137.3179.51800000110.8P385 F389P385-S387 PolarHBondContact O-N 2.73Å; S387-F389 PolarHBondContact O-N 3.36Å; S387-F389 VanDerWaalsContact O-N 3.09Å; S387-F389 WeakPolarHBondContact OG-CD2 3.21Å; S387-F389 PolarHBondContact OG-N 2.81Å
388P68.7Low67.4Low49 Ų4993.8 Ų93.832%0.31854%0.536SS..SBendtrans-68.3-0.8170.930-36.2000113.5A358 G390 R395A358-P388 HydrophobicContact CB-CG 3.56Å; P388-G390 PolarHBondContact O-N 2.96Å; P388-R395 WeakPolarHBondContact O-CB 3.37Å; P388-R395 WeakPolarHBondContact O-CG 3.35Å; P388-R395 PolarHBondContact O-N 3.06Å
389F68.8Low66.9Low29 Ų2998.3 Ų98.313%0.12754%0.543CS..BIsolated β-bridgetrans-79.6113.7175.1-76.2-104.1000112.1A358 E362 S387 P394A358-F389 HydrophobicContact CB-CE2 4.26Å; E362-F389 HydrophobicContact CB-CD2 4.38Å; E362-F389 HydrophobicContact CB-CE2 4.19Å; S387-F389 PolarHBondContact O-N 3.36Å; S387-F389 VanDerWaalsContact O-N 3.09Å; S387-F389 WeakPolarHBondContact OG-CD2 3.21Å; S387-F389 PolarHBondContact OG-N 2.81Å; F389-P394 HydrophobicContact CD1-CB 4.34Å; F389-P394 HydrophobicContact CD2-CB 4.37Å; F389-P394 HydrophobicContact CE1-CB 4.14Å; F389-P394 HydrophobicContact CE1-CG 4.28Å; F389-P394 HydrophobicContact CE2-CB 4.17Å; F389-P394 HydrophobicContact CG-CB 4.46Å; F389-P394 HydrophobicContact CZ-CB 4.05Å; F389-P394 HydrophobicContact CZ-CG 4.28Å
390G68.8Low65.9Low56 Ų56104.4 Ų104.458%0.57756%0.56SS**SBendtrans-91.53.1174.300000114.4P388P388-G390 PolarHBondContact O-N 2.96Å
391G72.4Confident64.8Low37 Ų37101.8 Ų101.838%0.38155%0.551SS.*SBendtrans167.8-139-173.600000111.6H73 T393H73-G391 PolarHBondContact CE1-O 3.12Å; H73-G391 VanDerWaalsContact CE1-O 3.26Å; H73-G391 PolarHBondContact ND1-O 3.5Å; G391-T393 PolarHBondContact O-N 3.06Å
392V68.6Low63.5Low79 Ų79100.8 Ų100.848%0.47955%0.552SS.*SBendtrans-68.1-17.7179.6-173.20000113
393T65Low62.3Low82 Ų82104.5 Ų104.550%0.50357%0.569SS.*SBendtrans-132.3155.5179.448.60000110.5G391G391-T393 PolarHBondContact O-N 3.06Å
394P65.6Low61.1Low20 Ų20103.6 Ų103.613%0.1356%0.564CS.*BIsolated β-bridgetrans-62.4147.3172.627.2-33.5000110.4E69 F389 R396E69-P394 WeakPolarHBondContact OE2-CD 3.45Å; F389-P394 HydrophobicContact CD1-CB 4.34Å; F389-P394 HydrophobicContact CD2-CB 4.37Å; F389-P394 HydrophobicContact CE1-CB 4.14Å; F389-P394 HydrophobicContact CE1-CG 4.28Å; F389-P394 HydrophobicContact CE2-CB 4.17Å; F389-P394 HydrophobicContact CG-CB 4.46Å; F389-P394 HydrophobicContact CZ-CB 4.05Å; F389-P394 HydrophobicContact CZ-CG 4.28Å; P394-R396 PolarHBondContact O-N 3.33Å
395R67.7Low59.9Low194 Ų194107.8 Ų107.873%0.73259%0.586SS**  trans-59.7114.6174.2-73.2-179178179.42.7108.8P388 E397P388-R395 WeakPolarHBondContact O-CB 3.37Å; P388-R395 WeakPolarHBondContact O-CG 3.35Å; P388-R395 PolarHBondContact O-N 3.06Å; R395-E397 PolarHBondContact O-N 2.93Å
396R61.6Low58.5Low189 Ų189112.2 Ų112.271%0.71361%0.605SS**  trans-78.297.9171.1-69.4-175177.8179.80.2108.4E66 P394 P398E66-R396 IonicContact OE1-CZ 3.57Å; E66-R396 IonicContact OE1-NH2 3.36Å; E66-R396 PolarHBondContact OE1-NH2 2.98Å; P394-R396 PolarHBondContact O-N 3.33Å; R396-P398 VanDerWaalsContact O-CD 3.32Å; R396-P398 WeakPolarHBondContact O-CD 3.23Å
397E60.3Low56.8Low168 Ų168114.6 Ų114.679%0.78561%0.606SS**  trans-58.8116157.5-76.5-75.4134.300107.7R395 I399R395-E397 PolarHBondContact O-N 2.93Å; E397-I399 PolarHBondContact O-N 3.27Å; E397-I399 VanDerWaalsContact O-N 3.15Å
398P59.5Low55.3Low98 Ų98117.4 Ų117.464%0.63663%0.632SS**  trans-75.2106.7178.429.8-31.5000109.1R396 Q400R396-P398 VanDerWaalsContact O-CD 3.32Å; R396-P398 WeakPolarHBondContact O-CD 3.23Å; P398-Q400 VanDerWaalsContact C-N 3.3Å; P398-Q400 PolarHBondContact O-N 3.2Å
399I50.9Low53.7Low162 Ų162121.1 Ų121.183%0.83165%0.654SS**  trans-64.494.1169.3-58.1172.7000107.7E397 T401E397-I399 PolarHBondContact O-N 3.27Å; E397-I399 VanDerWaalsContact O-N 3.15Å; I399-T401 PolarHBondContact O-N 3.15Å; I399-T401 VanDerWaalsContact O-N 3.1Å
400Q48.4Very low52.2Low169 Ų169126.9 Ų126.979%0.7969%0.685SS**  trans-7498.6175.4-71.3-172.9-1.700109.3P398 P402P398-Q400 VanDerWaalsContact C-N 3.3Å; P398-Q400 PolarHBondContact O-N 3.2Å; Q400-P402 WeakPolarHBondContact O-CD 3.47Å
401T44Very low50.6Low112 Ų112130 Ų13069%0.68769%0.693SS**  trans-61.9120.5161.250.60000108.7I399 N403I399-T401 PolarHBondContact O-N 3.15Å; I399-T401 VanDerWaalsContact O-N 3.1Å; T401-N403 PolarHBondContact O-N 3.22Å
402P42.4Very low49Very low116 Ų116133.3 Ų133.375%0.75371%0.708SS**  trans-67.8104.7178.827.1-33.2000109.4Q400 T404Q400-P402 WeakPolarHBondContact O-CD 3.47Å; P402-T404 PolarHBondContact O-N 2.94Å; P402-T404 VanDerWaalsContact O-N 3.12Å
403N43.6Very low47.2Very low126 Ų126139.9 Ų139.967%0.67473%0.725SS**  trans-8295.7-172-156.4-9.9000110.3T401 L405T401-N403 PolarHBondContact O-N 3.22Å; N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.37Å
404T47.2Very low45.6Very low121 Ų121140.8 Ų140.874%0.74273%0.73SS**  trans-80-1.4-171.348.40000114.8P402 L406P402-T404 PolarHBondContact O-N 2.94Å; P402-T404 VanDerWaalsContact O-N 3.12Å; T404-L406 PolarHBondContact O-N 3.34Å
405L44.7Very low44.1Very low152 Ų152145.4 Ų145.480%0.79676%0.758SS**  trans-93.422.6-169.5-60.1179.8000115.6N403N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.37Å
406L41.7Very low42.5Very low162 Ų162142 Ų14285%0.84876%0.764SS**SBendtrans-108.426.2-178.1-100.2168.2000114.7T404T404-L406 PolarHBondContact O-N 3.34Å
407R34.5Very low41.2Very low239 Ų239136.5 Ų136.590%0.90277%0.766SS**  trans-145.459.9-177.1-154-177.6-169.2-176.63.7116.3
408A36.5Very low40.1Very low105 Ų105140.2 Ų140.287%0.86877%0.773SS**  trans-159.4119.4151.500000111.9
409T34.8Very low39.1Very low128 Ų128141.5 Ų141.579%0.78578%0.779SS**  trans-80.1158.5176.343.10000113.2
410L37.6Very low38.7Very low149 Ų149139.1 Ų139.178%0.7877%0.774SS**  trans9695.8157.6-60.7154.5000119.8
411T35.9Very low38.1Very low121 Ų121138.2 Ų138.274%0.74277%0.774SS**  4716211661.30000122.5
412P37.8Very low37.6Very low108 Ų108142.1 Ų142.170%0.70178%0.782SS**  cis-143.7177.2-44.840.8-23.4000115.8
413R31.6Very low37.2Very low217 Ų217140.2 Ų140.282%0.81977%0.771SS**  trans87.7147.6140.6-115.4175.866.5164.31.5122.8
414T32.2Very low36.8Very low101 Ų101140.3 Ų140.362%0.6278%0.776SS**  trans75.8138.4151.846.40000121.2
415T34Very low36.5Very low117 Ų117140 Ų14072%0.71878%0.776SS**  cis-177.6153.1-26.816.30000110.2
416S33.4Very low35.9Very low123 Ų123141.7 Ų141.786%0.8677%0.774SS**  trans64.6149156.5-55.40000117.6
417G34.6Very low35.5Very low73 Ų73140.1 Ų140.175%0.75377%0.765SS**  cis-180-167.1-1.300000107.2
418R36.7Very low35.6Very low245 Ų245137.9 Ų137.993%0.92576%0.762SS**  cis-152.1158.7-1-62.8165.964.3169.70.1107.7
419T39.9Very low35.3Very low125 Ų125138.2 Ų138.277%0.76776%0.758SS**  trans-92.8177.7161.956.30000110.6
420P40.6Very low35.2Very low113 Ų113138.4 Ų138.473%0.73476%0.759SS**  -161.416592.741.7-20.7000120.3
421L35.9Very low35.3Very low149 Ų149135.8 Ų135.878%0.7875%0.753SS**  trans30.2137.4142.1-81.862.1000125.1
422F33.3Very low35.2Very low195 Ų195137.3 Ų137.386%0.85576%0.757SS**  -171.7116.9108.4-123.7-115000110.3
423S34.7Very low35.3Very low75 Ų75136.5 Ų136.552%0.52476%0.76SS.*  81.810286.2161.70000117
424T36.2Very low35.5Very low128 Ų128134.9 Ų134.979%0.78576%0.761SS**  90.5174.8105.872.10000116
425P39.2Very low35.9Very low114 Ų114136.8 Ų136.874%0.7477%0.768SS**  -135.1163.3-66.738.8-23000115.8
426Y32.6Very low35.8Very low188 Ų188137.9 Ų137.974%0.73777%0.768SS**  trans-161.8160.6149.1-154.7-108.8000116.3
427L33.8Very low36Very low129 Ų129137.5 Ų137.568%0.67576%0.76SS**  trans-83.3159.3-173.6-66.366.4000114.6
428K35.4Very low36.1Very low192 Ų192139.3 Ų139.384%0.83576%0.761SS**  -175.2156.7107.2-100.2171.8-177.9-178.90114.8
429S30.2Very low36.1Very low113 Ų113133.7 Ų133.779%0.7975%0.749SS**  trans-112.5146.3-177.81600000111.4
430T33.8Very low36.4Very low131 Ų131132.1 Ų132.180%0.80473%0.732SS**  trans-168.5145.1153.245.50000105.3
431S39.4Very low36.6Very low94 Ų94133.9 Ų133.966%0.65773%0.734SS**  cis-161140.619.345.90000111.5
432D34.4Very low37Very low153 Ų153129.1 Ų129.182%0.81872%0.716SS**  45.5110.9123.1-42.2-39.1000122
433A39.8Very low37.4Very low92 Ų92123.9 Ų123.976%0.7670%0.696SS**  trans176.497.4142.300000107.7
434E36.1Very low38.1Very low182 Ų182124.1 Ų124.185%0.8570%0.698SS**  90.4150.385-82.9-173.9175.600114.5
435N39Very low38.8Very low141 Ų141121.7 Ų121.775%0.75468%0.683SS**  trans74.398.7-176.3-54.1-22.7000115.5
436I33.8Very low39.5Very low141 Ų141118.5 Ų118.572%0.72366%0.66SS**  70.478.152.2-47.4164.3000113
437V37.5Very low40.7Very low115 Ų115118.1 Ų118.170%0.69766%0.657SS**  trans-158.1110.8139.5-178.80000107.5
438S36.2Very low42.1Very low111 Ų111117.9 Ų117.978%0.77666%0.656SS**  trans166.329.9153.5-77.40000114.7
439D37.1Very low43.7Very low126 Ų126113.1 Ų113.167%0.67464%0.637SS**  trans-88.5109.4167.9-86.7-39.6000110.1
440K44.8Very low45.6Very low92 Ų92114.5 Ų114.540%0.463%0.625SS.*SBendtrans-178.4-27.7163.1-97.7143.9-153.4-650112.4E699K440-E699 WeakPolarHBondContact CG-OE1 3.47Å; K440-E699 IonicContact NZ-OE1 3.57Å; K440-E699 PolarHBondContact NZ-OE1 3.01Å; K440-E699 IonicContact NZ-OE2 2.77Å; K440-E699 PolarHBondContact NZ-OE2 3.2Å
441I45.9Very low47.6Very low151 Ų151111 Ų11177%0.77461%0.609SS**SBendtrans-94.1-23.4176.4-61.6175.4000112L443I441-L443 PolarHBondContact O-N 3.32Å
442A43Very low49.4Very low49 Ų49111.3 Ų111.341%0.40560%0.603SS.*Hα-helixtrans-71.5-26.1-178.700000114.7S444 V445 D446A442-S444 PolarHBondContact O-N 2.85Å; A442-V445 PolarHBondContact O-N 3.13Å; A442-D446 WeakPolarHBondContact O-CB 3.47Å; A442-D446 PolarHBondContact O-N 3.44Å
443L43.5Very low51.4Low85 Ų85111.3 Ų111.345%0.44559%0.591SS.*Hα-helixtrans-68.7-25.9-169.2-76.7165.5000114.9I441 R447 F703I441-L443 PolarHBondContact O-N 3.32Å; L443-R447 PolarHBondContact O-N 3.24Å; L443-F703 HydrophobicContact CD1-CZ 4.31Å
444S47.7Very low53.4Low80 Ų80113.4 Ų113.456%0.55959%0.585SS**Hα-helixtrans-79.2-39.2174.660.40000112.1A442 N448A442-S444 PolarHBondContact O-N 2.85Å; S444-N448 PolarHBondContact O-N 3.27Å
445V51.9Low55.7Low77 Ų77111.1 Ų111.147%0.46757%0.574SS.*Hα-helixtrans-66.7-41.7176-178.70000110.4A442 N448 Q449A442-V445 PolarHBondContact O-N 3.13Å; V445-N448 PolarHBondContact O-N 2.84Å; V445-Q449 HydrophobicContact CG1-CG 4.41Å; V445-Q449 WeakPolarHBondContact O-CG 3.48Å; V445-Q449 PolarHBondContact O-N 3.39Å
446D53.7Low57.7Low47 Ų47108.6 Ų108.625%0.25156%0.561SS.*Hα-helixtrans-73.8-26.4-178.5-156.341.4000112.7A442 R450A442-D446 WeakPolarHBondContact O-CB 3.47Å; A442-D446 PolarHBondContact O-N 3.44Å; D446-R450 VanDerWaalsContact O-CB 3.27Å; D446-R450 WeakPolarHBondContact O-CB 3.37Å; D446-R450 WeakPolarHBondContact O-CD 3.31Å; D446-R450 WeakPolarHBondContact O-CG 3.5Å; D446-R450 PolarHBondContact O-N 2.88Å; D446-R450 IonicContact OD2-CZ 3.63Å; D446-R450 IonicContact OD2-NE 3.63Å; D446-R450 PolarHBondContact OD2-NE 2.81Å; D446-R450 IonicContact OD2-NH2 3.82Å; D446-R450 PolarHBondContact OD2-NH2 3.45Å
447R57.8Low59.9Low180 Ų180109.9 Ų109.968%0.67956%0.556SS**Hα-helixtrans-63.5-46.9168.1-108.3-177.5173.2-170.3-4.5111.7L443 R450 A451L443-R447 PolarHBondContact O-N 3.24Å; R447-R450 PolarHBondContact O-N 3.49Å; R447-A451 PolarHBondContact O-N 3.3Å
448N64.1Low62.1Low123 Ų123107.8 Ų107.866%0.65855%0.547SS*.Hα-helixtrans-67.2-39.1177-74.6-5.1000112.1S444 V445 A451 L452S444-N448 PolarHBondContact O-N 3.27Å; V445-N448 PolarHBondContact O-N 2.84Å; N448-A451 PolarHBondContact O-N 3.1Å; N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 PolarHBondContact O-N 2.89Å
449Q67.6Low64.3Low92 Ų92104.2 Ų104.243%0.4353%0.528SS..Hα-helixtrans-68.5-31.1174.6-71.7-172.819.800113V445 R453V445-Q449 HydrophobicContact CG1-CG 4.41Å; V445-Q449 WeakPolarHBondContact O-CG 3.48Å; V445-Q449 PolarHBondContact O-N 3.39Å; Q449-R453 WeakPolarHBondContact O-CB 3.4Å; Q449-R453 WeakPolarHBondContact O-CG 3.34Å; Q449-R453 PolarHBondContact O-N 3.37Å
450R70.9Confident66.1Low143 Ų143104.8 Ų104.854%0.5452%0.524SS..Hα-helixtrans-70.6-45.7173.1-74.9169.6-163.3-163.37.5111.6D446 R447 L452 R453 E454D446-R450 VanDerWaalsContact O-CB 3.27Å; D446-R450 WeakPolarHBondContact O-CB 3.37Å; D446-R450 WeakPolarHBondContact O-CD 3.31Å; D446-R450 WeakPolarHBondContact O-CG 3.5Å; D446-R450 PolarHBondContact O-N 2.88Å; D446-R450 IonicContact OD2-CZ 3.63Å; D446-R450 IonicContact OD2-NE 3.63Å; D446-R450 PolarHBondContact OD2-NE 2.81Å; D446-R450 IonicContact OD2-NH2 3.82Å; D446-R450 PolarHBondContact OD2-NH2 3.45Å; R447-R450 PolarHBondContact O-N 3.49Å; R450-L452 PolarHBondContact O-N 3.25Å; R450-R453 CarbonylContact O-C 3.51Å; R450-R453 WeakPolarHBondContact O-CB 3.26Å; R450-R453 PolarHBondContact O-N 3.35Å; R450-E454 WeakPolarHBondContact O-CG 3.5Å; R450-E454 PolarHBondContact O-N 2.7Å
451A76.5Confident67.7Low56 Ų56107.4 Ų107.446%0.46354%0.54SS..Hα-helixtrans-58.8-48.317500000111.6R447 N448 R453 E454 E455R447-A451 PolarHBondContact O-N 3.3Å; N448-A451 PolarHBondContact O-N 3.1Å; A451-R453 VanDerWaalsContact C-N 3.31Å; A451-R453 PolarHBondContact O-N 3.14Å; A451-E454 PolarHBondContact O-N 3.33Å; A451-E454 VanDerWaalsContact O-N 3.13Å; A451-E455 WeakPolarHBondContact O-CB 3.34Å; A451-E455 PolarHBondContact O-N 3.41Å
452L75.8Confident69.3Low102 Ų102105.7 Ų105.753%0.53454%0.537SS..Hα-helixtrans-64.8-34.3176.6-162.9112.8000112.2N448 R450 L456N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 PolarHBondContact O-N 2.89Å; R450-L452 PolarHBondContact O-N 3.25Å; L452-L456 HydrophobicContact CD2-CD1 3.95Å; L452-L456 HydrophobicContact CG-CD1 4.45Å; L452-L456 VanDerWaalsContact O-CB 3.28Å; L452-L456 WeakPolarHBondContact O-CB 3.27Å; L452-L456 VanDerWaalsContact O-CG 3.23Å; L452-L456 WeakPolarHBondContact O-CG 3.41Å; L452-L456 PolarHBondContact O-N 3.47Å
453R77.6Confident70.7Confident153 Ų153108.4 Ų108.458%0.57754%0.544SS*.Hα-helixtrans-68.2-36.3171.7-85.4174.5166.1137.8-0.8112.6Q449 R450 A451 R457Q449-R453 WeakPolarHBondContact O-CB 3.4Å; Q449-R453 WeakPolarHBondContact O-CG 3.34Å; Q449-R453 PolarHBondContact O-N 3.37Å; R450-R453 CarbonylContact O-C 3.51Å; R450-R453 WeakPolarHBondContact O-CB 3.26Å; R450-R453 PolarHBondContact O-N 3.35Å; A451-R453 VanDerWaalsContact C-N 3.31Å; A451-R453 PolarHBondContact O-N 3.14Å; R453-R457 WeakPolarHBondContact O-CB 3.3Å; R453-R457 PolarHBondContact O-N 3.21Å
454E81.5Confident72.2Confident135 Ų135109.6 Ų109.663%0.63156%0.556SS**Hα-helixtrans-73.6-39.1177.7-75.9178.3164.100111.6R450 A451 R457 S458R450-E454 WeakPolarHBondContact O-CG 3.5Å; R450-E454 PolarHBondContact O-N 2.7Å; A451-E454 PolarHBondContact O-N 3.33Å; A451-E454 VanDerWaalsContact O-N 3.13Å; E454-R457 PolarHBondContact O-N 2.95Å; E454-S458 WeakPolarHBondContact O-CB 3.43Å; E454-S458 PolarHBondContact O-N 3.49Å; E454-S458 PolarHBondContact O-OG 2.93Å
455E83Confident73.1Confident134 Ų134111 Ų11163%0.62656%0.564SS**Hα-helixtrans-60.4-53.2170.8-172.9171.7-158.700110.9A451 R457 S458 G459A451-E455 WeakPolarHBondContact O-CB 3.34Å; A451-E455 PolarHBondContact O-N 3.41Å; E455-R457 VanDerWaalsContact C-N 3.32Å; E455-R457 PolarHBondContact O-N 2.91Å; E455-S458 PolarHBondContact O-N 3.4Å; E455-S458 PolarHBondContact O-OG 3.24Å; E455-G459 PolarHBondContact O-N 3.33Å
456L81.7Confident73.7Confident89 Ų89112.4 Ų112.447%0.46658%0.575SS.*Hα-helixtrans-59.3-40.8173.7-73.8172.6000112.1L452 S458 G459 F460L452-L456 HydrophobicContact CD2-CD1 3.95Å; L452-L456 HydrophobicContact CG-CD1 4.45Å; L452-L456 VanDerWaalsContact O-CB 3.28Å; L452-L456 WeakPolarHBondContact O-CB 3.27Å; L452-L456 VanDerWaalsContact O-CG 3.23Å; L452-L456 WeakPolarHBondContact O-CG 3.41Å; L452-L456 PolarHBondContact O-N 3.47Å; L456-S458 VanDerWaalsContact C-N 3.35Å; L456-S458 PolarHBondContact O-N 2.93Å; L456-G459 CarbonylContact O-C 3.6Å; L456-G459 PolarHBondContact O-N 3.46Å; L456-F460 HydrophobicContact CB-CD2 4.26Å; L456-F460 HydrophobicContact CB-CE2 4.13Å; L456-F460 HydrophobicContact CD2-CE2 4.37Å; L456-F460 WeakPolarHBondContact O-CB 3.26Å; L456-F460 WeakPolarHBondContact O-CD2 3.43Å; L456-F460 WeakPolarHBondContact O-CG 3.43Å; L456-F460 PolarHBondContact O-N 2.98Å
457R80.7Confident73.9Confident168 Ų168118.8 Ų118.863%0.63460%0.6SS**Hα-helixtrans-69-32.9179.8-169.9179-161.5-1764.6112R453 E454 E455 M461R453-R457 WeakPolarHBondContact O-CB 3.3Å; R453-R457 PolarHBondContact O-N 3.21Å; E454-R457 PolarHBondContact O-N 2.95Å; E455-R457 VanDerWaalsContact C-N 3.32Å; E455-R457 PolarHBondContact O-N 2.91Å; R457-M461 VanDerWaalsContact O-CB 3.31Å; R457-M461 WeakPolarHBondContact O-CB 3.3Å; R457-M461 WeakPolarHBondContact O-CG 3.31Å; R457-M461 PolarHBondContact O-N 2.88Å
458S83.6Confident73.5Confident71 Ų71115.3 Ų115.350%0.49760%0.595SS.*Hα-helixtrans-67.9-41.3170.373.70000111.3E454 E455 L456 F460 M461 T462E454-S458 WeakPolarHBondContact O-CB 3.43Å; E454-S458 PolarHBondContact O-N 3.49Å; E454-S458 PolarHBondContact O-OG 2.93Å; E455-S458 PolarHBondContact O-N 3.4Å; E455-S458 PolarHBondContact O-OG 3.24Å; L456-S458 VanDerWaalsContact C-N 3.35Å; L456-S458 PolarHBondContact O-N 2.93Å; S458-F460 PolarHBondContact O-N 3.48Å; S458-M461 PolarHBondContact O-N 2.95Å; S458-T462 PolarHBondContact O-N 3.44Å; S458-T462 VanDerWaalsContact O-N 3.13Å; S458-T462 PolarHBondContact O-OG1 3.32Å
459G82.2Confident73Confident36 Ų36116.6 Ų116.637%0.37160%0.602SS.*Hα-helixtrans-64.6-33.8173.400000114.1E455 L456 T462E455-G459 PolarHBondContact O-N 3.33Å; L456-G459 CarbonylContact O-C 3.6Å; L456-G459 PolarHBondContact O-N 3.46Å; G459-T462 PolarHBondContact O-OG1 2.92Å
460F74.5Confident72.3Confident137 Ų137118.4 Ų118.460%0.60161%0.609SS**Hα-helixtrans-79.8-23.9173.9-72.3-57.9000113.1L456 S458 L463L456-F460 HydrophobicContact CB-CD2 4.26Å; L456-F460 HydrophobicContact CB-CE2 4.13Å; L456-F460 HydrophobicContact CD2-CE2 4.37Å; L456-F460 WeakPolarHBondContact O-CB 3.26Å; L456-F460 WeakPolarHBondContact O-CD2 3.43Å; L456-F460 WeakPolarHBondContact O-CG 3.43Å; L456-F460 PolarHBondContact O-N 2.98Å; S458-F460 PolarHBondContact O-N 3.48Å; F460-L463 HydrophobicContact CD1-CD1 3.8Å; F460-L463 HydrophobicContact CE1-CD1 4.39Å
461M78.4Confident71.4Confident147 Ų147120 Ų12072%0.72462%0.622SS**Hα-helixtrans-79.4-19.8174.2-76.1-76.1-170.700113.2R457 S458R457-M461 VanDerWaalsContact O-CB 3.31Å; R457-M461 WeakPolarHBondContact O-CB 3.3Å; R457-M461 WeakPolarHBondContact O-CG 3.31Å; R457-M461 PolarHBondContact O-N 2.88Å; S458-M461 PolarHBondContact O-N 2.95Å
462T79.6Confident70Confident116 Ų116124.3 Ų124.371%0.71264%0.636SS**SBendtrans-86.7-10.4172.152.30000113.4S458 G459S458-T462 PolarHBondContact O-N 3.44Å; S458-T462 VanDerWaalsContact O-N 3.13Å; S458-T462 PolarHBondContact O-OG1 3.32Å; G459-T462 PolarHBondContact O-OG1 2.92Å
463L72.2Confident68.5Low105 Ų105125.4 Ų125.455%0.5564%0.641SS.*SBendtrans-68136.9168.8-68.6-179.6000110.3F460F460-L463 HydrophobicContact CD1-CD1 3.8Å; F460-L463 HydrophobicContact CE1-CD1 4.39Å
464P74.7Confident67.2Low110 Ų110122.6 Ų122.671%0.71464%0.643SS**PPolyproline II helixtrans-54.5139.9172.2-24.834.1000111.1
465P67.8Low65.5Low111 Ų111122.2 Ų122.272%0.72165%0.652SS**PPolyproline II helixtrans-57.9132178.324.4-33.8000109.5K467P465-K467 PolarHBondContact O-N 2.97Å; P465-K467 VanDerWaalsContact O-N 3.09Å
466P62.7Low63.3Low106 Ų106124.7 Ų124.769%0.68866%0.663SS**PPolyproline II helixtrans-64.6117.7-175.626.6-34.5000109.3N468P466-N468 PolarHBondContact O-N 3.5Å
467K58Low61.1Low181 Ų181128.1 Ų128.179%0.78768%0.679SS**  trans-71.584.5169.5-69.1-173177.4-175.30108.2P465 D469P465-K467 PolarHBondContact O-N 2.97Å; P465-K467 VanDerWaalsContact O-N 3.09Å; K467-D469 PolarHBondContact O-N 2.78Å
468N49.6Very low58.8Low107 Ų107126.8 Ų126.857%0.57268%0.684SS**  trans-76.244.6174.6-73.60.4000111.9P466 F470P466-N468 PolarHBondContact O-N 3.5Å; N468-F470 VanDerWaalsContact C-N 3.27Å; N468-F470 HydrophobicContact CB-CE1 4.15Å; N468-F470 HydrophobicContact CB-CE2 4.33Å; N468-F470 HydrophobicContact CB-CZ 3.86Å; N468-F470 PolarHBondContact O-N 2.9Å; N468-F470 WeakPolarHBondContact OD1-CE1 3.01Å; N468-F470 VanDerWaalsContact OD1-CZ 3.28Å; N468-F470 WeakPolarHBondContact OD1-CZ 3.41Å
469D54.1Low56.3Low149 Ų149129.2 Ų129.280%0.79769%0.689SS**  trans-92.264.6169.2-61.8-35.3000108K467K467-D469 PolarHBondContact O-N 2.78Å
470F53.7Low54.4Low131 Ų131132 Ų13258%0.57570%0.703SS**  trans-111.8100.5165.422.1-93.1000108.8N468 I472N468-F470 VanDerWaalsContact C-N 3.27Å; N468-F470 HydrophobicContact CB-CE1 4.15Å; N468-F470 HydrophobicContact CB-CE2 4.33Å; N468-F470 HydrophobicContact CB-CZ 3.86Å; N468-F470 PolarHBondContact O-N 2.9Å; N468-F470 WeakPolarHBondContact OD1-CE1 3.01Å; N468-F470 VanDerWaalsContact OD1-CZ 3.28Å; N468-F470 WeakPolarHBondContact OD1-CZ 3.41Å; F470-I472 PolarHBondContact O-N 3.37Å
471E51.1Low52.4Low176 Ų176133.3 Ų133.382%0.82271%0.711SS**  trans-59.7103.3156.9-84.2-177139.900107.7I473E471-I473 HydrophobicContact CB-CG1 4.09Å; E471-I473 PolarHBondContact O-N 2.84Å
472I47.3Very low50.1Low147 Ų147131.7 Ų131.775%0.75471%0.714SS**  trans-73.780.2164.4-55.4176.7000106F470 P474F470-I472 PolarHBondContact O-N 3.37Å; I472-P474 WeakPolarHBondContact O-CD 3.49Å
473I44.4Very low48.1Very low125 Ų125131.1 Ų131.164%0.64171%0.713SS**  trans-64.5111.5164.5-59174.5000105.3E471E471-I473 HydrophobicContact CB-CG1 4.09Å; E471-I473 PolarHBondContact O-N 2.84Å
474P51.2Low46.2Very low94 Ų94132.6 Ų132.661%0.6172%0.721SS**  trans-62.6129.7168.2-10.127.2000106I472 E476I472-P474 WeakPolarHBondContact O-CD 3.49Å; P474-E476 VanDerWaalsContact C-N 3.34Å; P474-E476 PolarHBondContact O-N 3.46Å
475P45.8Very low44.2Very low127 Ų127133.8 Ų133.883%0.82572%0.721SS**  trans-64.398.2178.624.1-32.2000109.7M477P475-M477 VanDerWaalsContact C-N 3.3Å; P475-M477 PolarHBondContact O-N 2.9Å
476E35.7Very low42.6Very low186 Ų186134.7 Ų134.787%0.86972%0.719SS**  trans-66.791.6162-71.9-176.1167.300107.9P474P474-E476 VanDerWaalsContact C-N 3.34Å; P474-E476 PolarHBondContact O-N 3.46Å
477M36.1Very low41.2Very low161 Ų161134.6 Ų134.679%0.79372%0.717SS**  trans-133.899.8151-75-159.869.600108.6P475P475-M477 VanDerWaalsContact C-N 3.3Å; P475-M477 PolarHBondContact O-N 2.9Å
478D31.9Very low39.8Very low139 Ų139131.2 Ų131.274%0.74372%0.716SS**  trans-44.1146.5149.7-62.6-59.7000110.1
479M31.1Very low39Very low123 Ų123131.2 Ų131.261%0.60672%0.724SS**  trans-155.4127.8143.1-81.3-35.4-122.800106.2E481M479-E481 VanDerWaalsContact C-N 3.27Å; M479-E481 HydrophobicContact CE-CB 4.19Å
480S43.1Very low37.9Very low95 Ų95129 Ų12966%0.66472%0.72SS**  cis41.550.22671.60000113.1
481E31Very low36.8Very low163 Ų163129.8 Ų129.876%0.76273%0.731SS**  trans156.497.6153.9-86.2163.5-163.300110.4M479M479-E481 VanDerWaalsContact C-N 3.27Å; M479-E481 HydrophobicContact CE-CB 4.19Å
482S30.8Very low35.8Very low113 Ų113126.3 Ų126.379%0.7973%0.726SS**  trans-76.1171.4140.3-70.30000109.1
483P37.8Very low35.3Very low105 Ų105128.1 Ų128.168%0.68273%0.731SS**  cis-130.1-163.5-9.529.1-6.1000112.3
484N33.2Very low35Very low135 Ų135126.5 Ų126.572%0.72274%0.736SS**  trans101.8142.6157.9-63-8.7000118
485D32.5Very low34.7Very low135 Ų135129.8 Ų129.872%0.72275%0.748SS**  trans73.7139.4150.7-641.7000121.4
486L34.6Very low35.2Very low130 Ų130129.5 Ų129.568%0.68174%0.743SS**  cis-166.7151.5-26.7-118.7172.9000107.7
487T31.9Very low36Very low104 Ų104122.2 Ų122.264%0.63872%0.715SS**  trans25.4117.815150.50000121.8
488S30Very low37.4Very low111 Ų111120.2 Ų120.278%0.77671%0.708SS**  22.7114.1121.361.70000120.4
489S32.2Very low39.5Very low106 Ų106117.3 Ų117.374%0.74170%0.703SS**  trans-161.1121.9130.757.20000111
490S29.7Very low41.5Very low102 Ų102117.5 Ų117.571%0.71371%0.706SS**  26.1123.8125.8-38.90000116.8
491D31.3Very low43.1Very low149 Ų149116.6 Ų116.680%0.79769%0.694SS**  -172.8166.355.6-98.6-37.8000112.7
492S30.5Very low45.2Very low103 Ų103112.7 Ų112.772%0.7268%0.678SS**  trans49.377.5156.264.80000119.1
493H35.9Very low47.5Very low185 Ų185112.4 Ų112.486%0.85666%0.664SS**  -157.488.6123.9-101.3-67.6000109L495H493-L495 VanDerWaalsContact C-N 3.29Å; H493-L495 PolarHBondContact O-N 3.49Å
494A39Very low49.6Very low90 Ų90114.2 Ų114.274%0.74466%0.661SS**  trans-65.397.2161.500000107.3V496A494-V496 VanDerWaalsContact C-N 3.27Å; A494-V496 PolarHBondContact O-N 3.43Å
495L45.5Very low51.9Low164 Ų164113 Ų11386%0.85965%0.651SS**  trans-59.899163.3-80.6164.1000106.4H493 A497H493-L495 VanDerWaalsContact C-N 3.29Å; H493-L495 PolarHBondContact O-N 3.49Å; L495-A497 PolarHBondContact O-N 2.86Å
496V54.9Low54.4Low121 Ų121113.1 Ų113.173%0.73365%0.645SS**  trans-57.1114.7169.7176.70000105.4A494 D498A494-V496 VanDerWaalsContact C-N 3.27Å; A494-V496 PolarHBondContact O-N 3.43Å; V496-D498 PolarHBondContact O-N 3.46Å; V496-D498 VanDerWaalsContact O-N 3.13Å
497A53.8Low56.8Low33 Ų33110.4 Ų110.427%0.27363%0.629SS.*  trans-58.9120.8175.100000107.8L495 D501 L502L495-A497 PolarHBondContact O-N 2.86Å; A497-D501 HydrophobicContact CB-CB 4.2Å; A497-L502 HydrophobicContact CB-CD2 3.95Å; A497-L502 HydrophobicContact CB-CG 3.93Å
498D64.4Low59.5Low119 Ų119108.2 Ų108.264%0.63662%0.621SS**  trans-57.9158.2179.9-75.3-35.4000110.2V496 D500 D501 L502V496-D498 PolarHBondContact O-N 3.46Å; V496-D498 VanDerWaalsContact O-N 3.13Å; D498-D500 PolarHBondContact O-N 3.26Å; D498-D500 VanDerWaalsContact O-N 3.07Å; D498-D501 PolarHBondContact O-N 3.48Å; D498-L502 PolarHBondContact O-N 3.09Å
499A77.5Confident62.3Low78 Ų78108.3 Ų108.365%0.64561%0.61SS**Hα-helixtrans-53.1-36.3-176.600000112.5Q503A499-Q503 WeakPolarHBondContact O-CB 3.44Å; A499-Q503 PolarHBondContact O-N 3.19Å
500D73.2Confident64.9Low127 Ų127108.5 Ų108.568%0.67960%0.602SS**Hα-helixtrans-65.7-39.7175.4-78.66000113D498 Q503 K504D498-D500 PolarHBondContact O-N 3.26Å; D498-D500 VanDerWaalsContact O-N 3.07Å; D500-Q503 PolarHBondContact O-N 3.11Å; D500-K504 WeakPolarHBondContact O-CB 3.21Å; D500-K504 PolarHBondContact O-N 3.09Å
501D76.2Confident67.7Low76 Ų76109.8 Ų109.841%0.40660%0.595SS.*Hα-helixtrans-70.7-40.5177.6-85.2-29.1000111.3A497 D498 K504 Q505A497-D501 HydrophobicContact CB-CB 4.2Å; D498-D501 PolarHBondContact O-N 3.48Å; D501-K504 PolarHBondContact O-N 3.33Å; D501-Q505 WeakPolarHBondContact O-CB 3.35Å; D501-Q505 VanDerWaalsContact O-CG 3.3Å; D501-Q505 WeakPolarHBondContact O-CG 3.47Å; D501-Q505 PolarHBondContact O-N 3.03Å
502L75.1Confident70.4Confident80 Ų80108.8 Ų108.842%0.41958%0.583SS.*Hα-helixtrans-63.8-40.7172.5-70175.7000111.9A497 D498 K506A497-L502 HydrophobicContact CB-CD2 3.95Å; A497-L502 HydrophobicContact CB-CG 3.93Å; D498-L502 PolarHBondContact O-N 3.09Å; L502-K506 WeakPolarHBondContact O-CG 3.3Å; L502-K506 PolarHBondContact O-N 2.72Å
503Q79.2Confident73.1Confident108 Ų108108.3 Ų108.351%0.50557%0.569SS.*Hα-helixtrans-65.2-44.5174.9-179.8173.6-35.100110.9A499 D500 Q505 K506 E507A499-Q503 WeakPolarHBondContact O-CB 3.44Å; A499-Q503 PolarHBondContact O-N 3.19Å; D500-Q503 PolarHBondContact O-N 3.11Å; Q503-Q505 VanDerWaalsContact C-N 3.35Å; Q503-Q505 PolarHBondContact O-N 3.27Å; Q503-K506 PolarHBondContact O-N 3.08Å; Q503-E507 HydrophobicContact CG-CG 4.38Å; Q503-E507 PolarHBondContact NE2-OE1 3.33Å; Q503-E507 WeakPolarHBondContact O-CB 3.34Å; Q503-E507 WeakPolarHBondContact O-CG 3.48Å; Q503-E507 PolarHBondContact O-N 3.21Å
504K82.2Confident75.5Confident143 Ų143105.4 Ų105.462%0.62256%0.556SS**Hα-helixtrans-64.6-36.1178.9-175.5178.7177.8-173.10112.5D500 D501 A508D500-K504 WeakPolarHBondContact O-CB 3.21Å; D500-K504 PolarHBondContact O-N 3.09Å; D501-K504 PolarHBondContact O-N 3.33Å; K504-A508 VanDerWaalsContact O-CB 3.25Å; K504-A508 WeakPolarHBondContact O-CB 3.44Å; K504-A508 PolarHBondContact O-N 3.12Å
505Q80.8Confident77.8Confident110 Ų110107.7 Ų107.751%0.51455%0.549SS..Hα-helixtrans-64.1-52.1170.2-74.3176.517.700111.2D501 Q503 E507 A508 E509D501-Q505 WeakPolarHBondContact O-CB 3.35Å; D501-Q505 VanDerWaalsContact O-CG 3.3Å; D501-Q505 WeakPolarHBondContact O-CG 3.47Å; D501-Q505 PolarHBondContact O-N 3.03Å; Q503-Q505 VanDerWaalsContact C-N 3.35Å; Q503-Q505 PolarHBondContact O-N 3.27Å; Q505-E507 VanDerWaalsContact C-N 3.31Å; Q505-E507 PolarHBondContact O-N 3.03Å; Q505-A508 WeakPolarHBondContact O-CB 3.47Å; Q505-A508 PolarHBondContact O-N 2.93Å; Q505-A508 VanDerWaalsContact O-N 3.07Å; Q505-E509 WeakPolarHBondContact O-CG 3.23Å; Q505-E509 PolarHBondContact O-N 2.82Å
506K85.1Confident79.7Confident136 Ų136104.4 Ų104.459%0.59153%0.529SS*.Hα-helixtrans-56.9-42.9175.9-73.6172.8-179.3175.60112.4L502 Q503 E509 L510L502-K506 WeakPolarHBondContact O-CG 3.3Å; L502-K506 PolarHBondContact O-N 2.72Å; Q503-K506 PolarHBondContact O-N 3.08Å; K506-E509 PolarHBondContact O-N 2.86Å; K506-L510 WeakPolarHBondContact O-CB 3.47Å; K506-L510 VanDerWaalsContact O-CG 3.26Å; K506-L510 WeakPolarHBondContact O-CG 3.28Å; K506-L510 PolarHBondContact O-N 3.43Å
507E85.4Confident81.1Confident74 Ų74105.5 Ų105.535%0.34652%0.524SS..Hα-helixtrans-64-41.4174.9-80.7-170.6-146.500112.3Q503 Q505 L510 K511Q503-E507 HydrophobicContact CG-CG 4.38Å; Q503-E507 PolarHBondContact NE2-OE1 3.33Å; Q503-E507 WeakPolarHBondContact O-CB 3.34Å; Q503-E507 WeakPolarHBondContact O-CG 3.48Å; Q503-E507 PolarHBondContact O-N 3.21Å; Q505-E507 VanDerWaalsContact C-N 3.31Å; Q505-E507 PolarHBondContact O-N 3.03Å; E507-L510 PolarHBondContact O-N 3.38Å; E507-K511 VanDerWaalsContact O-CB 3.23Å; E507-K511 WeakPolarHBondContact O-CB 3.44Å; E507-K511 VanDerWaalsContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.13Å; E507-K511 WeakPolarHBondContact O-CG 3.38Å; E507-K511 PolarHBondContact O-N 2.78Å; E507-K511 IonicContact OE2-NZ 3.03Å; E507-K511 PolarHBondContact OE2-NZ 3.01Å
508A88.6Confident82.6Confident57 Ų57106.9 Ų106.947%0.47153%0.527SS..Hα-helixtrans-65.9-39.8177.200000111.7K504 Q505 K511 K512K504-A508 VanDerWaalsContact O-CB 3.25Å; K504-A508 WeakPolarHBondContact O-CB 3.44Å; K504-A508 PolarHBondContact O-N 3.12Å; Q505-A508 WeakPolarHBondContact O-CB 3.47Å; Q505-A508 PolarHBondContact O-N 2.93Å; Q505-A508 VanDerWaalsContact O-N 3.07Å; A508-K511 PolarHBondContact O-N 3.48Å; A508-K512 VanDerWaalsContact O-CB 3.28Å; A508-K512 WeakPolarHBondContact O-CB 3.35Å; A508-K512 PolarHBondContact O-N 3.38Å
509E88.1Confident83.5Confident114 Ų114107.2 Ų107.253%0.53352%0.523SS..Hα-helixtrans-64.1-48.2172.8-72.4-177.2166.300111.8Q505 K506 K511 K512 Q513Q505-E509 WeakPolarHBondContact O-CG 3.23Å; Q505-E509 PolarHBondContact O-N 2.82Å; K506-E509 PolarHBondContact O-N 2.86Å; E509-K511 VanDerWaalsContact C-N 3.35Å; E509-K511 PolarHBondContact O-N 2.85Å; E509-K512 WeakPolarHBondContact O-CB 3.26Å; E509-K512 PolarHBondContact O-N 3.38Å; E509-K512 VanDerWaalsContact O-N 3.17Å; E509-Q513 WeakPolarHBondContact O-CB 3.47Å; E509-Q513 WeakPolarHBondContact O-CG 3.26Å; E509-Q513 PolarHBondContact O-N 2.83Å
510L87.1Confident83.7Confident109 Ų109107.3 Ų107.357%0.57151%0.511SS*.Hα-helixtrans-60.7-42.5175.4-73.6171.3000111.7K506 E507 K512 Q513 H514K506-L510 WeakPolarHBondContact O-CB 3.47Å; K506-L510 VanDerWaalsContact O-CG 3.26Å; K506-L510 WeakPolarHBondContact O-CG 3.28Å; K506-L510 PolarHBondContact O-N 3.43Å; E507-L510 PolarHBondContact O-N 3.38Å; L510-K512 VanDerWaalsContact C-N 3.35Å; L510-K512 PolarHBondContact O-N 2.83Å; L510-Q513 PolarHBondContact O-N 3.48Å; L510-H514 VanDerWaalsContact O-CB 3.25Å; L510-H514 WeakPolarHBondContact O-CB 3.46Å; L510-H514 PolarHBondContact O-N 3.05Å
511K87.2Confident84.3Confident130 Ų130103.7 Ų103.757%0.56549%0.489SS*.Hα-helixtrans-64.4-37.6175-74.2161.1-176.6158.60111.6E507 A508 E509 K515E507-K511 VanDerWaalsContact O-CB 3.23Å; E507-K511 WeakPolarHBondContact O-CB 3.44Å; E507-K511 VanDerWaalsContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.13Å; E507-K511 WeakPolarHBondContact O-CG 3.38Å; E507-K511 PolarHBondContact O-N 2.78Å; E507-K511 IonicContact OE2-NZ 3.03Å; E507-K511 PolarHBondContact OE2-NZ 3.01Å; A508-K511 PolarHBondContact O-N 3.48Å; E509-K511 VanDerWaalsContact C-N 3.35Å; E509-K511 PolarHBondContact O-N 2.85Å; K511-K515 VanDerWaalsContact O-CB 3.31Å; K511-K515 WeakPolarHBondContact O-CB 3.38Å; K511-K515 PolarHBondContact O-N 3.11Å
512K88.4Confident84.9Confident127 Ų127101.2 Ų101.255%0.55248%0.477SS*.Hα-helixtrans-65.6-51.6173.9179.4-175.1169.6-170.10111.2A508 E509 L510 H514 K515 E516A508-K512 VanDerWaalsContact O-CB 3.28Å; A508-K512 WeakPolarHBondContact O-CB 3.35Å; A508-K512 PolarHBondContact O-N 3.38Å; E509-K512 WeakPolarHBondContact O-CB 3.26Å; E509-K512 PolarHBondContact O-N 3.38Å; E509-K512 VanDerWaalsContact O-N 3.17Å; L510-K512 VanDerWaalsContact C-N 3.35Å; L510-K512 PolarHBondContact O-N 2.83Å; K512-H514 VanDerWaalsContact C-N 3.33Å; K512-H514 PolarHBondContact O-N 3.19Å; K512-K515 WeakPolarHBondContact O-CB 3.47Å; K512-K515 PolarHBondContact O-N 2.94Å; K512-K515 VanDerWaalsContact O-N 3.12Å; K512-E516 WeakPolarHBondContact CE-OE1 3.48Å; K512-E516 WeakPolarHBondContact CG-OE1 3.31Å; K512-E516 WeakPolarHBondContact O-CG 3.24Å; K512-E516 PolarHBondContact O-N 3.26Å
513Q88.8Confident85.5Confident93 Ų93102.7 Ų102.744%0.43548%0.48SS..Hα-helixtrans-58.8-42.3176.8-70.817718.100111.8E509 L510 E516 K517E509-Q513 WeakPolarHBondContact O-CB 3.47Å; E509-Q513 WeakPolarHBondContact O-CG 3.26Å; E509-Q513 PolarHBondContact O-N 2.83Å; L510-Q513 PolarHBondContact O-N 3.48Å; Q513-E516 PolarHBondContact O-N 2.97Å; Q513-K517 WeakPolarHBondContact O-CB 3.4Å; Q513-K517 WeakPolarHBondContact O-CG 3.41Å; Q513-K517 PolarHBondContact O-N 3.43Å
514H85.7Confident86Confident124 Ų12499.1 Ų99.157%0.57447%0.469SS*.Hα-helixtrans-62.9-41.8175.6-173.5-77.5000111.7L510 K512 K517 L518L510-H514 VanDerWaalsContact O-CB 3.25Å; L510-H514 WeakPolarHBondContact O-CB 3.46Å; L510-H514 PolarHBondContact O-N 3.05Å; K512-H514 VanDerWaalsContact C-N 3.33Å; K512-H514 PolarHBondContact O-N 3.19Å; H514-K517 PolarHBondContact O-N 2.81Å; H514-L518 VanDerWaalsContact O-CB 3.3Å; H514-L518 WeakPolarHBondContact O-CB 3.48Å; H514-L518 PolarHBondContact O-N 3.34Å
515K86.4Confident86.4Confident138 Ų13892.9 Ų92.960%0.644%0.443SS*.Hα-helixtrans-67.3-34.9176.3-173.3176.8-176.2176.70112.6K511 K512 K519K511-K515 VanDerWaalsContact O-CB 3.31Å; K511-K515 WeakPolarHBondContact O-CB 3.38Å; K511-K515 PolarHBondContact O-N 3.11Å; K512-K515 WeakPolarHBondContact O-CB 3.47Å; K512-K515 PolarHBondContact O-N 2.94Å; K512-K515 VanDerWaalsContact O-N 3.12Å; K515-K519 WeakPolarHBondContact O-CG 3.5Å; K515-K519 PolarHBondContact O-N 3.12Å
516E85.5Confident86.8Confident96 Ų9691.3 Ų91.345%0.44944%0.436SS..Hα-helixtrans-69.3-47.6174-74.7166.4-179.400110.8K512 Q513 L518 K519 M520K512-E516 WeakPolarHBondContact CE-OE1 3.48Å; K512-E516 WeakPolarHBondContact CG-OE1 3.31Å; K512-E516 WeakPolarHBondContact O-CG 3.24Å; K512-E516 PolarHBondContact O-N 3.26Å; Q513-E516 PolarHBondContact O-N 2.97Å; E516-L518 PolarHBondContact O-N 3Å; E516-K519 WeakPolarHBondContact O-CB 3.41Å; E516-K519 PolarHBondContact O-N 2.89Å; E516-M520 WeakPolarHBondContact O-CG 3.43Å; E516-M520 PolarHBondContact O-N 3.44Å
517K84.7Confident87Confident143 Ų14393.4 Ų93.462%0.62244%0.44SS*.Hα-helixtrans-56-48.4172.5-75.2178.5177.6-178.30112.1Q513 H514 K519 M520 Q521Q513-K517 WeakPolarHBondContact O-CB 3.4Å; Q513-K517 WeakPolarHBondContact O-CG 3.41Å; Q513-K517 PolarHBondContact O-N 3.43Å; H514-K517 PolarHBondContact O-N 2.81Å; K517-K519 VanDerWaalsContact C-N 3.31Å; K517-K519 PolarHBondContact O-N 3.4Å; K517-M520 PolarHBondContact O-N 2.93Å; K517-Q521 WeakPolarHBondContact O-CG 3.28Å; K517-Q521 PolarHBondContact O-N 3.14Å
518L85.5Confident87.1Confident63 Ų6396.6 Ų96.633%0.3346%0.459SS..Hα-helixtrans-60.8-37.7-179.6-172.9150.1000112.2H514 E516 M520 Q521 Q526H514-L518 VanDerWaalsContact O-CB 3.3Å; H514-L518 WeakPolarHBondContact O-CB 3.48Å; H514-L518 PolarHBondContact O-N 3.34Å; E516-L518 PolarHBondContact O-N 3Å; L518-M520 PolarHBondContact O-N 2.83Å; L518-Q521 PolarHBondContact O-N 3.39Å; L518-Q526 HydrophobicContact CD2-CB 4.31Å; L518-Q526 HydrophobicContact CD2-CG 3.93Å; L518-Q526 HydrophobicContact CG-CG 4.5Å; L518-Q526 WeakPolarHBondContact O-CG 3.46Å; L518-Q526 PolarHBondContact O-NE2 3.4Å
519K83.7Confident87.1Confident126 Ų12697.8 Ų97.855%0.54846%0.457SS..Hα-helixtrans-62.8-27174.3-78.3174.5172.7-172.80114K515 E516 K517 Q526K515-K519 WeakPolarHBondContact O-CG 3.5Å; K515-K519 PolarHBondContact O-N 3.12Å; E516-K519 WeakPolarHBondContact O-CB 3.41Å; E516-K519 PolarHBondContact O-N 2.89Å; K517-K519 VanDerWaalsContact C-N 3.31Å; K517-K519 PolarHBondContact O-N 3.4Å; K519-Q526 PolarHBondContact O-NE2 3.39Å
520M81.7Confident87Confident80 Ų8098.4 Ų98.439%0.39447%0.471SS..Hα-helixtrans-90.1-11179.3-57.2-57.9-69.300112.9E516 K517 L518 A603 L608E516-M520 WeakPolarHBondContact O-CG 3.43Å; E516-M520 PolarHBondContact O-N 3.44Å; K517-M520 PolarHBondContact O-N 2.93Å; L518-M520 PolarHBondContact O-N 2.83Å; M520-A603 WeakPolarHBondContact CE-O 3.25Å; M520-L608 HydrophobicContact CE-CD1 4.49Å
521Q85.4Confident87.1Confident50 Ų5094.8 Ų94.823%0.23445%0.45CS..SBendtrans-77.5167174.2-69.8173.7-16.400111.7K517 L518 V525 Q526 N573K517-Q521 WeakPolarHBondContact O-CG 3.28Å; K517-Q521 PolarHBondContact O-N 3.14Å; L518-Q521 PolarHBondContact O-N 3.39Å; Q521-V525 HydrophobicContact CB-CB 4.28Å; Q521-V525 HydrophobicContact CB-CG1 4.25Å; Q521-V525 VanDerWaalsContact OE1-CG1 3.23Å; Q521-Q526 PolarHBondContact O-NE2 3.05Å; Q521-N573 PolarHBondContact NE2-ND2 3.48Å; Q521-N573 VanDerWaalsContact NE2-ND2 3.12Å; Q521-N573 PolarHBondContact NE2-OD1 2.77Å
522T88.5Confident87.1Confident24 Ų2491.3 Ų91.315%0.14744%0.441CS..  trans-62.3151.6-178.571.60000112.6A524 V525 Q526 L565 D569T522-A524 PolarHBondContact O-N 2.77Å; T522-V525 PolarHBondContact O-N 3.09Å; T522-V525 PolarHBondContact OG1-N 2.72Å; T522-Q526 WeakPolarHBondContact O-CG 3.28Å; T522-Q526 PolarHBondContact O-N 2.63Å; T522-L565 HydrophobicContact CG2-CB 4.45Å; T522-L565 HydrophobicContact CG2-CD2 3.97Å; T522-D569 WeakPolarHBondContact CB-OD2 3.36Å; T522-D569 WeakPolarHBondContact CG2-OD2 3.45Å; T522-D569 PolarHBondContact OG1-OD2 3.3Å
523K88Confident87Confident112 Ų11289.7 Ų89.749%0.48744%0.435SS..Hα-helixtrans-56.3-25.3174.6-71.8179-179.1172.20112.3R527 N612K523-R527 VanDerWaalsContact O-CB 3.31Å; K523-R527 WeakPolarHBondContact O-CB 3.45Å; K523-R527 WeakPolarHBondContact O-CG 3.27Å; K523-R527 PolarHBondContact O-N 3.26Å; K523-R527 VanDerWaalsContact O-N 3.16Å; K523-N612 PolarHBondContact NZ-OD1 3.4Å
524A89.6Confident86.8Confident33 Ų3390.9 Ų90.927%0.27344%0.441SS..Hα-helixtrans-71.9-42175.800000112.8T522 N528 L529T522-A524 PolarHBondContact O-N 2.77Å; A524-N528 PolarHBondContact O-N 3.01Å; A524-L529 HydrophobicContact CB-CB 4.5Å; A524-L529 PolarHBondContact O-N 3.15Å
525V89.9Confident86.9Confident11 Ų1185.7 Ų85.77%0.06742%0.417CS..Hα-helixtrans-68.9-47172.4176.90000110.4Q521 T522 R527 N528 D569 N573Q521-V525 HydrophobicContact CB-CB 4.28Å; Q521-V525 HydrophobicContact CB-CG1 4.25Å; Q521-V525 VanDerWaalsContact OE1-CG1 3.23Å; T522-V525 PolarHBondContact O-N 3.09Å; T522-V525 PolarHBondContact OG1-N 2.72Å; V525-R527 PolarHBondContact O-N 2.94Å; V525-R527 VanDerWaalsContact O-N 3.15Å; V525-N528 PolarHBondContact O-N 2.73Å; V525-N528 PolarHBondContact O-OD1 2.91Å; V525-D569 HydrophobicContact CG2-CB 4.12Å; V525-D569 WeakPolarHBondContact CG2-OD2 3.48Å; V525-N573 HydrophobicContact CG1-CB 3.97Å; V525-N573 HydrophobicContact CG2-CB 4.07Å
526Q89.3Confident86.6Confident77 Ų7783.6 Ų83.636%0.3641%0.412SS..Hα-helixtrans-55.9-33.7179-68.7-175.425.600114L518 K519 Q521 T522L518-Q526 HydrophobicContact CD2-CB 4.31Å; L518-Q526 HydrophobicContact CD2-CG 3.93Å; L518-Q526 HydrophobicContact CG-CG 4.5Å; L518-Q526 WeakPolarHBondContact O-CG 3.46Å; L518-Q526 PolarHBondContact O-NE2 3.4Å; K519-Q526 PolarHBondContact O-NE2 3.39Å; Q521-Q526 PolarHBondContact O-NE2 3.05Å; T522-Q526 WeakPolarHBondContact O-CG 3.28Å; T522-Q526 PolarHBondContact O-N 2.63Å
527R90.3Very high86.4Confident180 Ų18082.6 Ų82.668%0.67941%0.413SS*.THydrogen-bonded Turntrans-98.63.4-179-68178.6176.4-177.8-1.8113.8K523 V525 L529K523-R527 VanDerWaalsContact O-CB 3.31Å; K523-R527 WeakPolarHBondContact O-CB 3.45Å; K523-R527 WeakPolarHBondContact O-CG 3.27Å; K523-R527 PolarHBondContact O-N 3.26Å; K523-R527 VanDerWaalsContact O-N 3.16Å; V525-R527 PolarHBondContact O-N 2.94Å; V525-R527 VanDerWaalsContact O-N 3.15Å; R527-L529 HydrophobicContact CB-CD1 4.26Å; R527-L529 HydrophobicContact CB-CD2 4.46Å; R527-L529 HydrophobicContact CB-CG 3.86Å; R527-L529 PolarHBondContact O-N 2.85Å
528N86.8Confident86.1Confident141 Ų14179.6 Ų79.675%0.75441%0.41SS*.THydrogen-bonded Turntrans50.138.8-172.9-70-38000113.8A524 V525A524-N528 PolarHBondContact O-N 3.01Å; V525-N528 PolarHBondContact O-N 2.73Å; V525-N528 PolarHBondContact O-OD1 2.91Å
529L87.7Confident85.6Confident82 Ų8279.6 Ų79.643%0.42941%0.413SS..  trans-71.7148177.6-66.5177000111.1A524 R527 R531A524-L529 HydrophobicContact CB-CB 4.5Å; A524-L529 PolarHBondContact O-N 3.15Å; R527-L529 HydrophobicContact CB-CD1 4.26Å; R527-L529 HydrophobicContact CB-CD2 4.46Å; R527-L529 HydrophobicContact CB-CG 3.86Å; R527-L529 PolarHBondContact O-N 2.85Å; L529-R531 PolarHBondContact O-N 3.33Å; L529-R531 PolarHBondContact O-NH1 3.19Å
530P86.6Confident85.2Confident128 Ų12875.6 Ų75.683%0.83140%0.397SS*.  trans-60.6129.3177.724.9-33.8000110.8
531R88.9Confident84.8Confident32 Ų3276.9 Ų76.912%0.12140%0.397CS..  trans-112.7144.1178-68-176.1-66.5-74.312.4110.1L529 N573 T575L529-R531 PolarHBondContact O-N 3.33Å; L529-R531 PolarHBondContact O-NH1 3.19Å; R531-N573 PolarHBondContact NH2-O 2.69Å; R531-T575 HydrophobicContact CB-CG2 4.22Å
532P88.1Confident83.9Confident58 Ų5883.5 Ų83.538%0.37743%0.425SS..  trans-66141178.728.2-34.9000111.4L566 Q578P532-L566 HydrophobicContact CG-CD2 4.14Å; P532-Q578 PolarHBondContact O-NE2 2.9Å
533H86Confident82.5Confident92 Ų9290.7 Ų90.743%0.42646%0.457SS..SBendtrans-80.8-39.1174.857.7-89.1000111.8Q578 Y581H533-Q578 HydrophobicContact CB-CG 4.29Å; H533-Y581 HydrophobicContact CB-CG 4.38Å; H533-Y581 WeakPolarHBondContact O-CD1 3.17Å
534E85.3Confident81.2Confident119 Ų11989.3 Ų89.356%0.55645%0.454SS*.SBendtrans-101120169.2-177.4168.4-151.800109.7
535I86.2Confident79.8Confident15 Ų1591.2 Ų91.28%0.07746%0.463CS..  trans-92.1108-178.3-56.6168.8000108.8T537 L563 L566 H567 A570 F591I535-T537 PolarHBondContact O-N 2.89Å; I535-T537 VanDerWaalsContact O-N 3.09Å; I535-L563 HydrophobicContact CG2-CD2 3.52Å; I535-L566 HydrophobicContact CD1-CB 3.96Å; I535-L566 HydrophobicContact CG1-CB 4.34Å; I535-L566 HydrophobicContact CG2-CB 4.16Å; I535-L566 HydrophobicContact CG2-CD1 4.26Å; I535-H567 HydrophobicContact CD1-CB 4.36Å; I535-H567 VanDerWaalsContact CG2-CE1 3.46Å; I535-H567 WeakPolarHBondContact CG2-CE1 3.32Å; I535-A570 HydrophobicContact CD1-CB 4.17Å; I535-F591 HydrophobicContact CD1-CD1 4.21Å; I535-F591 HydrophobicContact CD1-CE1 3.83Å; I535-F591 HydrophobicContact CD1-CZ 4.09Å; I535-F591 HydrophobicContact CG1-CE1 4.2Å; I535-F591 HydrophobicContact CG1-CZ 4.41Å
536N80.7Confident78.5Confident94 Ų9494.9 Ų94.950%0.50349%0.494SS..  trans-75.1101.1-176-173.6-1.4000112.2S538 V539N536-S538 VanDerWaalsContact C-N 3.3Å; N536-S538 PolarHBondContact ND2-OG 3.45Å; N536-S538 PolarHBondContact O-N 3.36Å; N536-S538 WeakPolarHBondContact OD1-CB 3.25Å; N536-S538 PolarHBondContact OD1-N 3.32Å; N536-S538 PolarHBondContact OD1-OG 3.01Å; N536-V539 WeakPolarHBondContact O-CG2 3.41Å
537T81.3Confident77.4Confident74 Ų74100.1 Ų100.145%0.45452%0.516SS..G310 helixtrans-75.4-11.1177550000114.3I535 V539 L540 F594I535-T537 PolarHBondContact O-N 2.89Å; I535-T537 VanDerWaalsContact O-N 3.09Å; T537-V539 PolarHBondContact O-N 3.32Å; T537-L540 PolarHBondContact O-N 3.44Å; T537-F594 HydrophobicContact CG2-CD2 4.43Å; T537-F594 HydrophobicContact CG2-CE2 4.24Å
538S78.4Confident76.4Confident81 Ų8193.5 Ų93.557%0.56649%0.494SS*.G310 helixtrans-72.1-3.5177.672.60000114.5N536 L540N536-S538 VanDerWaalsContact C-N 3.3Å; N536-S538 PolarHBondContact ND2-OG 3.45Å; N536-S538 PolarHBondContact O-N 3.36Å; N536-S538 WeakPolarHBondContact OD1-CB 3.25Å; N536-S538 PolarHBondContact OD1-N 3.32Å; N536-S538 PolarHBondContact OD1-OG 3.01Å; S538-L540 PolarHBondContact O-N 2.77Å
539V76Confident75.9Confident63 Ų6391.7 Ų91.738%0.38249%0.493SS..G310 helixtrans-67.2-23.3174.6177.90000112.2N536 T537 K559N536-V539 WeakPolarHBondContact O-CG2 3.41Å; T537-V539 PolarHBondContact O-N 3.32Å; V539-K559 HydrophobicContact CG1-CD 4.04Å; V539-K559 HydrophobicContact CG1-CG 4.2Å
540L74.9Confident75.6Confident41 Ų4190 Ų9022%0.21550%0.495CS..SBendtrans-81.5136.2175-67.4174000111.9T537 S538 K542 K559 R560 L563T537-L540 PolarHBondContact O-N 3.44Å; S538-L540 PolarHBondContact O-N 2.77Å; L540-K542 PolarHBondContact O-N 3.17Å; L540-K559 HydrophobicContact CD2-CB 3.89Å; L540-R560 HydrophobicContact CD1-CG 4.22Å; L540-R560 HydrophobicContact CD2-CG 3.57Å; L540-L563 HydrophobicContact CD1-CD1 3.58Å; L540-L563 HydrophobicContact CD2-CD1 4.23Å; L540-L563 HydrophobicContact CG-CD1 3.59Å
541R72.6Confident75.4Confident107 Ų10788.9 Ų88.940%0.40449%0.488SS..  trans-74.8109.4172.1-65.7175.8-144.3-1176.7109.9E543 E556R541-E543 PolarHBondContact O-N 3.26Å; R541-E556 WeakPolarHBondContact CD-OE1 3.42Å; R541-E556 WeakPolarHBondContact CG-OE1 3.47Å; R541-E556 IonicContact CZ-OE1 2.79Å; R541-E556 PolarHBondContact N-OE2 3.14Å; R541-E556 IonicContact NE-OE1 2.67Å; R541-E556 PolarHBondContact NE-OE1 3.1Å
542K67.1Low75Confident189 Ų18992.3 Ų92.382%0.82251%0.505SS*.SBendtrans-61.8-26.9-178.3-65.4-176.3179.8-179.80114.4L540L540-K542 PolarHBondContact O-N 3.17Å
543E59.7Low74.9Confident175 Ų17591.1 Ų91.182%0.81850%0.5SS*.SBendtrans-123.5-12.8-163.1-69.5165.4-172.600114.7R541R541-E543 PolarHBondContact O-N 3.26Å
544I60.3Low74.8Confident83 Ų8388.7 Ų88.743%0.42650%0.496SS..  trans-123.857.5-168.5-40.5176.8000110.3L548I544-L548 HydrophobicContact CG2-CD2 4.21Å; I544-L548 HydrophobicContact CG2-CG 4.4Å; I544-L548 WeakPolarHBondContact O-CD1 3.29Å; I544-L548 WeakPolarHBondContact O-CG 3.34Å
545T60.2Low74.8Confident73 Ų7385.9 Ų85.945%0.44848%0.484SS..SBendtrans-101.8-34.5179.359.20000112.2
546A63.1Low74.7Confident89 Ų8985.2 Ų85.274%0.73648%0.481SS*.THydrogen-bonded Turntrans-77.5-18-177.600000114.9
547F65.9Low74.9Confident186 Ų18686.5 Ų86.582%0.81649%0.486SS*.THydrogen-bonded Turntrans-105.61-175.9-66.6-74.1000114.3
548L69.2Low75.2Confident41 Ų4188.3 Ų88.322%0.21549%0.492CS..  trans-85.5127.8178.5-62.5177.6000110I544 H552 A553 E556I544-L548 HydrophobicContact CG2-CD2 4.21Å; I544-L548 HydrophobicContact CG2-CG 4.4Å; I544-L548 WeakPolarHBondContact O-CD1 3.29Å; I544-L548 WeakPolarHBondContact O-CG 3.34Å; L548-H552 HydrophobicContact CB-CB 4.27Å; L548-H552 HydrophobicContact CD1-CB 4.41Å; L548-H552 HydrophobicContact CD2-CB 3.96Å; L548-H552 HydrophobicContact CG-CB 4.43Å; L548-A553 HydrophobicContact CB-CB 4.24Å; L548-E556 HydrophobicContact CD1-CG 3.55Å
549S75.8Confident75.7Confident104 Ų10486.3 Ų86.373%0.72747%0.473SS*.  trans-122.7152.3175-173.40000110.6
550G81.6Confident76.3Confident47 Ų4787.5 Ų87.549%0.48547%0.471SS..THydrogen-bonded Turntrans61.7-134.7-179.100000113.5H552 A553G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 3.02Å; G550-A553 PolarHBondContact O-N 3.48Å; G550-A553 VanDerWaalsContact O-N 3.1Å
551P82.3Confident77Confident104 Ų10491 Ų9168%0.67549%0.486SS*.Hα-helixtrans-63.8-28.7-166.325.5-35.1000113.8A553 A554 D555P551-A553 VanDerWaalsContact C-N 3.32Å; P551-A553 PolarHBondContact O-N 2.86Å; P551-A554 PolarHBondContact O-N 2.87Å; P551-D555 PolarHBondContact O-N 3.43Å
552H81.5Confident77.8Confident104 Ų10490 Ų9048%0.48149%0.486SS..Hα-helixtrans-68.8-30.5178.5-62.495.7000112.9L548 G550 E556L548-H552 HydrophobicContact CB-CB 4.27Å; L548-H552 HydrophobicContact CD1-CB 4.41Å; L548-H552 HydrophobicContact CD2-CB 3.96Å; L548-H552 HydrophobicContact CG-CB 4.43Å; G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 3.02Å; H552-E556 PolarHBondContact O-N 3.03Å
553A84.9Confident79Confident32 Ų3281.1 Ų81.126%0.26445%0.448SS..Hα-helixtrans-71.1-40.7174.900000110.9L548 G550 P551 E556 M557L548-A553 HydrophobicContact CB-CB 4.24Å; G550-A553 PolarHBondContact O-N 3.48Å; G550-A553 VanDerWaalsContact O-N 3.1Å; P551-A553 VanDerWaalsContact C-N 3.32Å; P551-A553 PolarHBondContact O-N 2.86Å; A553-E556 PolarHBondContact O-N 3.24Å; A553-M557 WeakPolarHBondContact O-CG 3.41Å; A553-M557 PolarHBondContact O-N 2.95Å
554A84.3Confident80.5Confident41 Ų4173.7 Ų73.734%0.33942%0.415SS..Hα-helixtrans-61.9-45174.600000112.3P551 E556 M557 L558P551-A554 PolarHBondContact O-N 2.87Å; A554-E556 PolarHBondContact O-N 3.37Å; A554-M557 HydrophobicContact CB-CE 4.43Å; A554-M557 WeakPolarHBondContact O-CB 3.38Å; A554-M557 PolarHBondContact O-N 3.34Å; A554-L558 WeakPolarHBondContact O-CG 3.29Å; A554-L558 PolarHBondContact O-N 2.9Å
555D84Confident82Confident60 Ų6071.9 Ų71.932%0.32141%0.406SS..Hα-helixtrans-58.3-42.8175.2176.940.1000112.5P551 K559P551-D555 PolarHBondContact O-N 3.43Å; D555-K559 WeakPolarHBondContact O-CB 3.45Å; D555-K559 WeakPolarHBondContact O-CD 3.25Å; D555-K559 VanDerWaalsContact O-CG 3.28Å; D555-K559 WeakPolarHBondContact O-CG 3.16Å; D555-K559 PolarHBondContact O-N 3.22Å; D555-K559 WeakPolarHBondContact OD1-CE 3.39Å; D555-K559 IonicContact OD1-NZ 2.66Å; D555-K559 PolarHBondContact OD1-NZ 3.27Å; D555-K559 VanDerWaalsContact OD1-NZ 3.11Å; D555-K559 IonicContact OD2-NZ 3.14Å; D555-K559 PolarHBondContact OD2-NZ 2.89Å
556E85.2Confident83.5Confident2 Ų270.1 Ų70.11%0.00939%0.393CS..Hα-helixtrans-68.6-29.8173-70.9-67.6140.200113.3R541 L548 H552 A553 A554 R560R541-E556 WeakPolarHBondContact CD-OE1 3.42Å; R541-E556 WeakPolarHBondContact CG-OE1 3.47Å; R541-E556 IonicContact CZ-OE1 2.79Å; R541-E556 PolarHBondContact N-OE2 3.14Å; R541-E556 IonicContact NE-OE1 2.67Å; R541-E556 PolarHBondContact NE-OE1 3.1Å; L548-E556 HydrophobicContact CD1-CG 3.55Å; H552-E556 PolarHBondContact O-N 3.03Å; A553-E556 PolarHBondContact O-N 3.24Å; A554-E556 PolarHBondContact O-N 3.37Å; E556-R560 WeakPolarHBondContact O-CG 3.23Å; E556-R560 PolarHBondContact O-N 3.17Å; E556-R560 PolarHBondContact O-NH1 3.03Å
557M85.6Confident84.9Confident121 Ų12166.3 Ų66.360%0.59636%0.36SS*.Hα-helixtrans-68.1-49.2173.3-71.7-171.8-64.600111.1A553 A554 K559 R560 E561A553-M557 WeakPolarHBondContact O-CG 3.41Å; A553-M557 PolarHBondContact O-N 2.95Å; A554-M557 HydrophobicContact CB-CE 4.43Å; A554-M557 WeakPolarHBondContact O-CB 3.38Å; A554-M557 PolarHBondContact O-N 3.34Å; M557-K559 VanDerWaalsContact C-N 3.29Å; M557-K559 PolarHBondContact O-N 3.44Å; M557-R560 WeakPolarHBondContact O-CB 3.32Å; M557-R560 PolarHBondContact O-N 2.92Å; M557-R560 VanDerWaalsContact O-N 3.09Å; M557-E561 PolarHBondContact O-N 3.38Å; M557-E561 VanDerWaalsContact O-N 3.09Å
558L87.6Confident86.1Confident111 Ų11158.9 Ų58.958%0.58133%0.328SS*.Hα-helixtrans-58.5-39.3176.9-69171.4000112.1A554 R560 E561 M562A554-L558 WeakPolarHBondContact O-CG 3.29Å; A554-L558 PolarHBondContact O-N 2.9Å; L558-R560 PolarHBondContact O-N 3.41Å; L558-E561 PolarHBondContact O-N 3.25Å; L558-M562 VanDerWaalsContact O-CB 3.24Å; L558-M562 WeakPolarHBondContact O-CB 3.11Å; L558-M562 PolarHBondContact O-N 2.8Å
559K88Confident87.2Confident39 Ų3957.1 Ų57.117%0.1732%0.319CS..Hα-helixtrans-64.3-36.6175.4-76.6165.1-177.8162.40113.7V539 L540 D555 M557 L563V539-K559 HydrophobicContact CG1-CD 4.04Å; V539-K559 HydrophobicContact CG1-CG 4.2Å; L540-K559 HydrophobicContact CD2-CB 3.89Å; D555-K559 WeakPolarHBondContact O-CB 3.45Å; D555-K559 WeakPolarHBondContact O-CD 3.25Å; D555-K559 VanDerWaalsContact O-CG 3.28Å; D555-K559 WeakPolarHBondContact O-CG 3.16Å; D555-K559 PolarHBondContact O-N 3.22Å; D555-K559 WeakPolarHBondContact OD1-CE 3.39Å; D555-K559 IonicContact OD1-NZ 2.66Å; D555-K559 PolarHBondContact OD1-NZ 3.27Å; D555-K559 VanDerWaalsContact OD1-NZ 3.11Å; D555-K559 IonicContact OD2-NZ 3.14Å; D555-K559 PolarHBondContact OD2-NZ 2.89Å; M557-K559 VanDerWaalsContact C-N 3.29Å; M557-K559 PolarHBondContact O-N 3.44Å; K559-L563 WeakPolarHBondContact O-CG 3.25Å; K559-L563 PolarHBondContact O-N 2.78Å; K559-L563 VanDerWaalsContact O-N 3.11Å
560R89.2Confident87.9Confident89 Ų8952.2 Ų52.234%0.33628%0.284SS..Hα-helixtrans-66.3-49.1175-72.1-179.8-168.190.8-1.3110.7L540 E556 M557 L558 M562 L563 V564L540-R560 HydrophobicContact CD1-CG 4.22Å; L540-R560 HydrophobicContact CD2-CG 3.57Å; E556-R560 WeakPolarHBondContact O-CG 3.23Å; E556-R560 PolarHBondContact O-N 3.17Å; E556-R560 PolarHBondContact O-NH1 3.03Å; M557-R560 WeakPolarHBondContact O-CB 3.32Å; M557-R560 PolarHBondContact O-N 2.92Å; M557-R560 VanDerWaalsContact O-N 3.09Å; L558-R560 PolarHBondContact O-N 3.41Å; R560-M562 PolarHBondContact O-N 3.05Å; R560-L563 PolarHBondContact O-N 2.92Å; R560-V564 WeakPolarHBondContact O-CG2 3.46Å; R560-V564 PolarHBondContact O-N 3.02Å
561E88.7Confident88.4Confident115 Ų11552.1 Ų52.154%0.53727%0.273SS..Hα-helixtrans-59.5-47.4178-169.5-173.7166.800111.3M557 L558 L563 V564 L565M557-E561 PolarHBondContact O-N 3.38Å; M557-E561 VanDerWaalsContact O-N 3.09Å; L558-E561 PolarHBondContact O-N 3.25Å; E561-L563 VanDerWaalsContact C-N 3.29Å; E561-L563 PolarHBondContact O-N 2.87Å; E561-V564 PolarHBondContact O-N 2.88Å; E561-V564 VanDerWaalsContact O-N 3.09Å; E561-L565 HydrophobicContact CG-CD1 4.26Å; E561-L565 HydrophobicContact CG-CG 4.48Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 3.21Å
562M90.3Very high88.7Confident84 Ų8452.1 Ų52.141%0.41427%0.267SS..Hα-helixtrans-53.4-44.2174.7-178.7-165.867.900112.2L558 R560 L565 L566L558-M562 VanDerWaalsContact O-CB 3.24Å; L558-M562 WeakPolarHBondContact O-CB 3.11Å; L558-M562 PolarHBondContact O-N 2.8Å; R560-M562 PolarHBondContact O-N 3.05Å; M562-L565 PolarHBondContact O-N 3Å; M562-L566 HydrophobicContact CG-CD1 4.13Å; M562-L566 WeakPolarHBondContact O-CB 3.45Å; M562-L566 VanDerWaalsContact O-CG 3.28Å; M562-L566 WeakPolarHBondContact O-CG 3.36Å; M562-L566 PolarHBondContact O-N 3.18Å
563L90.9Very high89.1Confident3 Ų349 Ų492%0.01625%0.254CS..Hα-helixtrans-66.2-43.2177.2-74.9169000111.6I535 L540 K559 R560 E561 L565 L566 H567 F594I535-L563 HydrophobicContact CG2-CD2 3.52Å; L540-L563 HydrophobicContact CD1-CD1 3.58Å; L540-L563 HydrophobicContact CD2-CD1 4.23Å; L540-L563 HydrophobicContact CG-CD1 3.59Å; K559-L563 WeakPolarHBondContact O-CG 3.25Å; K559-L563 PolarHBondContact O-N 2.78Å; K559-L563 VanDerWaalsContact O-N 3.11Å; R560-L563 PolarHBondContact O-N 2.92Å; E561-L563 VanDerWaalsContact C-N 3.29Å; E561-L563 PolarHBondContact O-N 2.87Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.28Å; L563-L566 PolarHBondContact O-N 3.46Å; L563-H567 PolarHBondContact O-N 3.43Å; L563-H567 PolarHBondContact O-ND1 3.07Å; L563-F594 HydrophobicContact CB-CE1 4.29Å; L563-F594 HydrophobicContact CB-CZ 4Å
564V92.2Very high89.3Confident19 Ų1950 Ų5012%0.11526%0.258CS..Hα-helixtrans-58.9-45.7175.2175.20000111R560 E561 L566 H567 H568 F594 L595 N598 Y600R560-V564 WeakPolarHBondContact O-CG2 3.46Å; R560-V564 PolarHBondContact O-N 3.02Å; E561-V564 PolarHBondContact O-N 2.88Å; E561-V564 VanDerWaalsContact O-N 3.09Å; V564-L566 PolarHBondContact O-N 3.09Å; V564-H567 PolarHBondContact O-N 3.43Å; V564-H568 WeakPolarHBondContact O-CB 3.28Å; V564-H568 PolarHBondContact O-N 3.38Å; V564-F594 HydrophobicContact CG2-CE1 4.04Å; V564-L595 HydrophobicContact CG1-CD2 4.03Å; V564-N598 HydrophobicContact CG2-CB 3.65Å; V564-Y600 HydrophobicContact CG1-CD2 4.26Å
565L90.9Very high89.6Confident46 Ų4649.3 Ų49.324%0.24125%0.249CC..Hα-helixtrans-60.1-45176.6-68.1173.9000112.5T522 E561 M562 L563 H567 H568 D569 Y600T522-L565 HydrophobicContact CG2-CB 4.45Å; T522-L565 HydrophobicContact CG2-CD2 3.97Å; E561-L565 HydrophobicContact CG-CD1 4.26Å; E561-L565 HydrophobicContact CG-CG 4.48Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 3.21Å; M562-L565 PolarHBondContact O-N 3Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.28Å; L565-H567 PolarHBondContact O-N 3.02Å; L565-H568 PolarHBondContact O-N 2.92Å; L565-D569 WeakPolarHBondContact O-CB 3.5Å; L565-D569 PolarHBondContact O-N 3.41Å; L565-Y600 HydrophobicContact CD2-CD2 4.12Å; L565-Y600 HydrophobicContact CD2-CE2 3.55Å
566L91.6Very high89.8Confident36 Ų3652 Ų5219%0.18827%0.27CS..Hα-helixtrans-63.5-41.1178.9-74.6170.6000112.5P532 I535 M562 L563 V564 A570P532-L566 HydrophobicContact CG-CD2 4.14Å; I535-L566 HydrophobicContact CD1-CB 3.96Å; I535-L566 HydrophobicContact CG1-CB 4.34Å; I535-L566 HydrophobicContact CG2-CB 4.16Å; I535-L566 HydrophobicContact CG2-CD1 4.26Å; M562-L566 HydrophobicContact CG-CD1 4.13Å; M562-L566 WeakPolarHBondContact O-CB 3.45Å; M562-L566 VanDerWaalsContact O-CG 3.28Å; M562-L566 WeakPolarHBondContact O-CG 3.36Å; M562-L566 PolarHBondContact O-N 3.18Å; L563-L566 PolarHBondContact O-N 3.46Å; V564-L566 PolarHBondContact O-N 3.09Å; L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.43Å; L566-A570 PolarHBondContact O-N 3.3Å
567H92.5Very high89.9Confident8 Ų854.6 Ų54.64%0.03729%0.292CS..Hα-helixtrans-68.8-42.3177.7-71.894.1000111.7I535 L563 V564 L565 A570 L571 F591 F594 L595I535-H567 HydrophobicContact CD1-CB 4.36Å; I535-H567 VanDerWaalsContact CG2-CE1 3.46Å; I535-H567 WeakPolarHBondContact CG2-CE1 3.32Å; L563-H567 PolarHBondContact O-N 3.43Å; L563-H567 PolarHBondContact O-ND1 3.07Å; V564-H567 PolarHBondContact O-N 3.43Å; L565-H567 PolarHBondContact O-N 3.02Å; H567-A570 PolarHBondContact O-N 2.84Å; H567-L571 PolarHBondContact O-N 2.86Å; H567-F591 AromaticContact CD2-CD1 3.43Å; H567-F591 VanDerWaalsContact CD2-CD1 3.43Å; H567-F591 WeakPolarHBondContact CD2-CD1 3.44Å; H567-F591 AromaticContact CD2-CG 3.98Å; H567-F591 AromaticContact NE2-CD1 3.98Å; H567-F594 HydrophobicContact CB-CD1 4Å; H567-F594 AromaticContact CD2-CD1 3.97Å; H567-F594 AromaticContact CD2-CG 3.95Å; H567-F594 AromaticContact CE1-CD1 3.63Å; H567-F594 AromaticContact CE1-CD2 3.96Å; H567-F594 AromaticContact CE1-CE1 3.83Å; H567-F594 AromaticContact CE1-CG 3.71Å; H567-F594 AromaticContact CG-CD1 3.5Å; H567-F594 AromaticContact CG-CG 3.97Å; H567-F594 AromaticContact ND1-CD1 3.28Å; H567-F594 VanDerWaalsContact ND1-CD1 3.28Å; H567-F594 WeakPolarHBondContact ND1-CD1 3.47Å; H567-F594 AromaticContact ND1-CE1 3.45Å; H567-F594 WeakPolarHBondContact ND1-CE1 3.38Å; H567-F594 AromaticContact ND1-CG 3.83Å; H567-F594 AromaticContact NE2-CG 3.81Å; H567-L595 HydrophobicContact CB-CD2 3.98Å; H567-L595 HydrophobicContact CB-CG 4.09Å
568H92.4Very high90.1Very high31 Ų3148.8 Ų48.814%0.14426%0.263CS..Hα-helixtrans-61-47.3174.4173.1-88.5000112V564 L565 A570 L571 N572 L595 Y600V564-H568 WeakPolarHBondContact O-CB 3.28Å; V564-H568 PolarHBondContact O-N 3.38Å; L565-H568 PolarHBondContact O-N 2.92Å; H568-A570 VanDerWaalsContact C-N 3.35Å; H568-A570 PolarHBondContact O-N 3.31Å; H568-L571 PolarHBondContact O-N 3.42Å; H568-N572 PolarHBondContact CD2-ND2 2.86Å; H568-N572 PolarHBondContact NE2-ND2 2.83Å; H568-N572 WeakPolarHBondContact O-CB 3.49Å; H568-N572 PolarHBondContact O-N 2.94Å; H568-L595 HydrophobicContact CB-CD1 4.36Å; H568-L595 HydrophobicContact CB-CD2 4.33Å; H568-Y600 HydrophobicContact CB-CD2 4.43Å; H568-Y600 HydrophobicContact CB-CG 4.26Å; H568-Y600 AromaticContact CD2-CD1 3.28Å; H568-Y600 WeakPolarHBondContact CD2-CD1 3.47Å; H568-Y600 AromaticContact CD2-CE1 3.87Å; H568-Y600 AromaticContact CD2-CG 3.55Å; H568-Y600 AromaticContact CE1-CD1 3.94Å; H568-Y600 AromaticContact CE1-CE1 3.7Å; H568-Y600 AromaticContact CG-CD1 3.92Å; H568-Y600 AromaticContact CG-CG 3.86Å; H568-Y600 AromaticContact NE2-CD1 3.33Å; H568-Y600 VanDerWaalsContact NE2-CD1 3.33Å; H568-Y600 WeakPolarHBondContact NE2-CD1 3.48Å; H568-Y600 AromaticContact NE2-CE1 3.47Å; H568-Y600 WeakPolarHBondContact NE2-CE1 3.33Å
569D92.2Very high90.1Very high4 Ų446.1 Ų46.12%0.02125%0.252CS..Hα-helixtrans-67.7-33.5179.3-77.3-7.5000112.5T522 V525 L565 L571 N573T522-D569 WeakPolarHBondContact CB-OD2 3.36Å; T522-D569 WeakPolarHBondContact CG2-OD2 3.45Å; T522-D569 PolarHBondContact OG1-OD2 3.3Å; V525-D569 HydrophobicContact CG2-CB 4.12Å; V525-D569 WeakPolarHBondContact CG2-OD2 3.48Å; L565-D569 WeakPolarHBondContact O-CB 3.5Å; L565-D569 PolarHBondContact O-N 3.41Å; D569-L571 VanDerWaalsContact C-N 3.35Å; D569-N573 CarbonylContact O-C 3.55Å; D569-N573 WeakPolarHBondContact O-CA 3.29Å; D569-N573 PolarHBondContact O-N 3.02Å; D569-N573 VanDerWaalsContact O-O 3.1Å
570A91Very high90.1Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-66.6-33.8176.600000112.9I535 L566 H567 H568 P574 F591I535-A570 HydrophobicContact CD1-CB 4.17Å; L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.43Å; L566-A570 PolarHBondContact O-N 3.3Å; H567-A570 PolarHBondContact O-N 2.84Å; H568-A570 VanDerWaalsContact C-N 3.35Å; H568-A570 PolarHBondContact O-N 3.31Å; A570-P574 WeakPolarHBondContact O-CB 3.22Å; A570-F591 HydrophobicContact CB-CD2 3.8Å; A570-F591 HydrophobicContact CB-CE2 3.66Å; A570-F591 HydrophobicContact CB-CZ 4.38Å
571L90.7Very high90.1Very high46 Ų4649.6 Ų49.624%0.24127%0.268CS..Hα-helixtrans-82-47175.8-69.9176.5000112.6H567 H568 D569 M582 A588 F591 L595H567-L571 PolarHBondContact O-N 2.86Å; H568-L571 PolarHBondContact O-N 3.42Å; D569-L571 VanDerWaalsContact C-N 3.35Å; L571-M582 HydrophobicContact CD2-CE 3.78Å; L571-A588 HydrophobicContact CD2-CB 4.48Å; L571-F591 HydrophobicContact CD1-CB 3.99Å; L571-F591 HydrophobicContact CD2-CB 3.98Å; L571-F591 HydrophobicContact CD2-CD2 4.2Å; L571-F591 HydrophobicContact CG-CB 3.87Å; L571-F591 HydrophobicContact CG-CD2 4.4Å; L571-L595 HydrophobicContact CD1-CD1 3.76Å
572N89.6Confident90.1Very high103 Ų10346.1 Ų46.155%0.55125%0.252SS*.Hα-helixtrans-87.4-25.8-170.9-73.6-32.7000114H568H568-N572 PolarHBondContact CD2-ND2 2.86Å; H568-N572 PolarHBondContact NE2-ND2 2.83Å; H568-N572 WeakPolarHBondContact O-CB 3.49Å; H568-N572 PolarHBondContact O-N 2.94Å
573N88.9Confident89.9Confident38 Ų3848.3 Ų48.320%0.20327%0.266CS..SBendtrans-139.161.2178-59.4-77.7000110.7Q521 V525 R531 D569 T575Q521-N573 PolarHBondContact NE2-ND2 3.48Å; Q521-N573 VanDerWaalsContact NE2-ND2 3.12Å; Q521-N573 PolarHBondContact NE2-OD1 2.77Å; V525-N573 HydrophobicContact CG1-CB 3.97Å; V525-N573 HydrophobicContact CG2-CB 4.07Å; R531-N573 PolarHBondContact NH2-O 2.69Å; D569-N573 CarbonylContact O-C 3.55Å; D569-N573 WeakPolarHBondContact O-CA 3.29Å; D569-N573 PolarHBondContact O-N 3.02Å; D569-N573 VanDerWaalsContact O-O 3.1Å; N573-T575 PolarHBondContact O-N 3.19Å
574P90.6Very high89.7Confident55 Ų5553.7 Ų53.736%0.35730%0.298SS..  trans-61.3137-177.424.9-34.2000111.9A570 Q578A570-P574 WeakPolarHBondContact O-CB 3.22Å; P574-Q578 HydrophobicContact CB-CB 4.19Å
575T89.6Confident89.5Confident25 Ų2554.8 Ų54.815%0.15331%0.305CS..  trans-71.7157.7162.658.40000110.4R531 N573 A577 Q578 T579R531-T575 HydrophobicContact CB-CG2 4.22Å; N573-T575 PolarHBondContact O-N 3.19Å; T575-A577 PolarHBondContact O-N 2.87Å; T575-A577 VanDerWaalsContact O-N 3.08Å; T575-Q578 WeakPolarHBondContact O-CA 3.35Å; T575-Q578 WeakPolarHBondContact O-CB 3.26Å; T575-Q578 PolarHBondContact O-N 3.33Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.48Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.5Å; T575-Q578 PolarHBondContact OG1-N 3.42Å; T575-Q578 PolarHBondContact OG1-OE1 3.16Å; T575-T579 PolarHBondContact O-N 3.08Å; T575-T579 PolarHBondContact O-OG1 3.09Å
576P88.8Confident89.4Confident118 Ų11858.5 Ų58.577%0.76633%0.325SS*.Hα-helixtrans-54.2-32.7177.1-27.935.6000114K580P576-K580 WeakPolarHBondContact O-CB 3.4Å; P576-K580 PolarHBondContact O-N 2.97Å
577A86.5Confident89.2Confident55 Ų5556.8 Ų56.846%0.45532%0.316SS..Hα-helixtrans-70-41174.100000112.7T575 K580 Y581T575-A577 PolarHBondContact O-N 2.87Å; T575-A577 VanDerWaalsContact O-N 3.08Å; A577-K580 PolarHBondContact O-N 3.29Å; A577-Y581 WeakPolarHBondContact O-CB 3.44Å; A577-Y581 PolarHBondContact O-N 3.43Å
578Q89.5Confident89Confident0 Ų057.8 Ų57.80%033%0.326CS..Hα-helixtrans-64.4-45173.3-77.3163.8-35.800111.3P532 H533 P574 T575 K580 Y581 M582P532-Q578 PolarHBondContact O-NE2 2.9Å; H533-Q578 HydrophobicContact CB-CG 4.29Å; P574-Q578 HydrophobicContact CB-CB 4.19Å; T575-Q578 WeakPolarHBondContact O-CA 3.35Å; T575-Q578 WeakPolarHBondContact O-CB 3.26Å; T575-Q578 PolarHBondContact O-N 3.33Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.48Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.5Å; T575-Q578 PolarHBondContact OG1-N 3.42Å; T575-Q578 PolarHBondContact OG1-OE1 3.16Å; Q578-K580 VanDerWaalsContact C-N 3.33Å; Q578-K580 PolarHBondContact O-N 2.97Å; Q578-Y581 PolarHBondContact O-N 3.38Å; Q578-Y581 VanDerWaalsContact O-N 3.13Å; Q578-M582 WeakPolarHBondContact O-CB 3.43Å; Q578-M582 VanDerWaalsContact O-CG 3.3Å; Q578-M582 WeakPolarHBondContact O-CG 3.28Å; Q578-M582 PolarHBondContact O-N 3.47Å
579T88.8Confident88.9Confident55 Ų5560.8 Ų60.834%0.33734%0.343SS..Hα-helixtrans-57-46.2174.4-47.50000111.2T575 Y581 M582 N583T575-T579 PolarHBondContact O-N 3.08Å; T575-T579 PolarHBondContact O-OG1 3.09Å; T579-Y581 VanDerWaalsContact C-N 3.34Å; T579-Y581 PolarHBondContact O-N 3.32Å; T579-M582 PolarHBondContact O-N 2.84Å; T579-N583 WeakPolarHBondContact O-CB 3.41Å; T579-N583 PolarHBondContact O-N 3.34Å; T579-N583 PolarHBondContact O-OD1 2.87Å
580K88.1Confident88.7Confident154 Ų15465.9 Ų65.967%0.6736%0.362SS*.Hα-helixtrans-62.5-39.3176.6-169.6175.9-178.4179.20112.3P576 A577 Q578 N583 V584P576-K580 WeakPolarHBondContact O-CB 3.4Å; P576-K580 PolarHBondContact O-N 2.97Å; A577-K580 PolarHBondContact O-N 3.29Å; Q578-K580 VanDerWaalsContact C-N 3.33Å; Q578-K580 PolarHBondContact O-N 2.97Å; K580-N583 PolarHBondContact O-N 3.34Å; K580-V584 VanDerWaalsContact O-CG2 3.26Å; K580-V584 WeakPolarHBondContact O-CG2 3.48Å; K580-V584 PolarHBondContact O-N 2.91Å
581Y87.5Confident88.7Confident46 Ų4666.3 Ų66.318%0.1836%0.364CS..Hα-helixtrans-70-38.8178-175.4-108.5000112.8H533 A577 Q578 T579 N583 V584 T585 A587 R590H533-Y581 HydrophobicContact CB-CG 4.38Å; H533-Y581 WeakPolarHBondContact O-CD1 3.17Å; A577-Y581 WeakPolarHBondContact O-CB 3.44Å; A577-Y581 PolarHBondContact O-N 3.43Å; Q578-Y581 PolarHBondContact O-N 3.38Å; Q578-Y581 VanDerWaalsContact O-N 3.13Å; T579-Y581 VanDerWaalsContact C-N 3.34Å; T579-Y581 PolarHBondContact O-N 3.32Å; Y581-N583 VanDerWaalsContact C-N 3.34Å; Y581-V584 PolarHBondContact O-N 2.85Å; Y581-T585 HydrophobicContact CD2-CG2 4.31Å; Y581-T585 HydrophobicContact CE2-CG2 4Å; Y581-T585 PolarHBondContact O-N 3.25Å; Y581-T585 PolarHBondContact O-OG1 3.49Å; Y581-A587 HydrophobicContact CD1-CB 3.55Å; Y581-A587 HydrophobicContact CE1-CB 3.49Å; Y581-A587 VanDerWaalsContact CE1-CB 3.49Å; Y581-R590 PolarHBondContact OH-NH2 3.35Å; Y581-R590 VanDerWaalsContact OH-NH2 3.08Å
582M88.9Confident88.7Confident42 Ų4266.2 Ų66.221%0.20737%0.367CS..Hα-helixtrans-70.2-26.9174.6-69.4166.165.900113.3L571 Q578 T579 T585 A587 A588 F591L571-M582 HydrophobicContact CD2-CE 3.78Å; Q578-M582 WeakPolarHBondContact O-CB 3.43Å; Q578-M582 VanDerWaalsContact O-CG 3.3Å; Q578-M582 WeakPolarHBondContact O-CG 3.28Å; Q578-M582 PolarHBondContact O-N 3.47Å; T579-M582 PolarHBondContact O-N 2.84Å; M582-T585 CarbonylContact C-O 3.54Å; M582-A587 HydrophobicContact CG-CB 3.97Å; M582-A588 HydrophobicContact CE-CB 3.68Å; M582-A588 HydrophobicContact CG-CB 4.48Å; M582-F591 HydrophobicContact CG-CE2 4.17Å; M582-F591 HydrophobicContact SD-CD2 4.44Å; M582-F591 HydrophobicContact SD-CE2 4.23Å
583N86.7Confident88.8Confident131 Ų13166 Ų6670%0.70136%0.363SS*.Hα-helixtrans-80.9-18.2174.9-68.9-2000113.1T579 K580 Y581T579-N583 WeakPolarHBondContact O-CB 3.41Å; T579-N583 PolarHBondContact O-N 3.34Å; T579-N583 PolarHBondContact O-OD1 2.87Å; K580-N583 PolarHBondContact O-N 3.34Å; Y581-N583 VanDerWaalsContact C-N 3.34Å
584V87.8Confident88.9Confident115 Ų11565.9 Ų65.970%0.69736%0.361SS*.Hα-helixtrans-105.5-18.8-177.3173.60000112.1K580 Y581K580-V584 VanDerWaalsContact O-CG2 3.26Å; K580-V584 WeakPolarHBondContact O-CG2 3.48Å; K580-V584 PolarHBondContact O-N 2.91Å; Y581-V584 PolarHBondContact O-N 2.85Å
585T87.6Confident89Confident42 Ų4264.7 Ų64.726%0.25835%0.351SS..SBendtrans-142.2158.4-177.872.70000110.6Y581 M582 A587 R590Y581-T585 HydrophobicContact CD2-CG2 4.31Å; Y581-T585 HydrophobicContact CE2-CG2 4Å; Y581-T585 PolarHBondContact O-N 3.25Å; Y581-T585 PolarHBondContact O-OG1 3.49Å; M582-T585 CarbonylContact C-O 3.54Å; T585-A587 PolarHBondContact O-N 3.13Å; T585-R590 PolarHBondContact OG1-NH2 2.92Å
586D87.5Confident89.1Confident124 Ų12471 Ų7166%0.66338%0.379SS*.THydrogen-bonded Turntrans-71.637.7176.3-44.2-32.1000112.6A588 R590D586-A588 VanDerWaalsContact C-N 3.35Å; D586-R590 VanDerWaalsContact O-CG 3.3Å; D586-R590 WeakPolarHBondContact O-CG 3.48Å; D586-R590 PolarHBondContact O-N 2.84Å; D586-R590 VanDerWaalsContact O-N 3.13Å; D586-R590 PolarHBondContact O-NE 3.18Å
587A88Confident89.2Confident0 Ų073 Ų730%038%0.376CS..Hα-helixtrans-65.6-36.4176.900000112.1Y581 M582 T585 D589 R590 F591Y581-A587 HydrophobicContact CD1-CB 3.55Å; Y581-A587 HydrophobicContact CE1-CB 3.49Å; Y581-A587 VanDerWaalsContact CE1-CB 3.49Å; M582-A587 HydrophobicContact CG-CB 3.97Å; T585-A587 PolarHBondContact O-N 3.13Å; A587-D589 VanDerWaalsContact C-N 3.34Å; A587-D589 PolarHBondContact O-N 2.91Å; A587-R590 PolarHBondContact O-N 2.95Å; A587-F591 HydrophobicContact CB-CE1 4.4Å; A587-F591 HydrophobicContact CB-CE2 4.05Å; A587-F591 HydrophobicContact CB-CZ 3.94Å; A587-F591 WeakPolarHBondContact O-CB 3.36Å; A587-F591 VanDerWaalsContact O-CD1 3.31Å; A587-F591 WeakPolarHBondContact O-CD1 3.24Å; A587-F591 VanDerWaalsContact O-CD2 3.3Å; A587-F591 WeakPolarHBondContact O-CD2 2.91Å; A587-F591 WeakPolarHBondContact O-CG 3.41Å; A587-F591 PolarHBondContact O-N 3.5Å
588A88.9Confident89.3Confident29 Ų2973.4 Ų73.424%0.2437%0.37CS..Hα-helixtrans-58.3-46.4177.400000111.7L571 M582 D586 F591 S592L571-A588 HydrophobicContact CD2-CB 4.48Å; M582-A588 HydrophobicContact CE-CB 3.68Å; M582-A588 HydrophobicContact CG-CB 4.48Å; D586-A588 VanDerWaalsContact C-N 3.35Å; A588-F591 PolarHBondContact O-N 3.11Å; A588-S592 WeakPolarHBondContact O-CB 3.24Å; A588-S592 PolarHBondContact O-N 3.4Å; A588-S592 PolarHBondContact O-OG 3.17Å
589D89.8Confident89.3Confident94 Ų9478 Ų7850%0.50340%0.4SS..Hα-helixtrans-68.5-43.5178.1-66.8-5.7000111.1A587 F591 S592 Q593A587-D589 VanDerWaalsContact C-N 3.34Å; A587-D589 PolarHBondContact O-N 2.91Å; D589-F591 VanDerWaalsContact C-N 3.28Å; D589-F591 PolarHBondContact O-N 3.42Å; D589-S592 PolarHBondContact O-N 3.25Å; D589-Q593 WeakPolarHBondContact O-CB 3.41Å; D589-Q593 WeakPolarHBondContact O-CG 3.34Å; D589-Q593 PolarHBondContact O-N 3.37Å
590R89.3Confident89.3Confident111 Ų11178.5 Ų78.542%0.41940%0.396SS..Hα-helixtrans-58.3-39.2174.4-73.5-179-69.8158.50.4112.3Y581 T585 D586 A587 F594Y581-R590 PolarHBondContact OH-NH2 3.35Å; Y581-R590 VanDerWaalsContact OH-NH2 3.08Å; T585-R590 PolarHBondContact OG1-NH2 2.92Å; D586-R590 VanDerWaalsContact O-CG 3.3Å; D586-R590 WeakPolarHBondContact O-CG 3.48Å; D586-R590 PolarHBondContact O-N 2.84Å; D586-R590 VanDerWaalsContact O-N 3.13Å; D586-R590 PolarHBondContact O-NE 3.18Å; A587-R590 PolarHBondContact O-N 2.95Å; R590-F594 WeakPolarHBondContact O-CB 3.44Å; R590-F594 PolarHBondContact O-N 2.91Å; R590-F594 VanDerWaalsContact O-N 3.15Å
591F90.4Very high89.3Confident10 Ų1077.8 Ų77.84%0.04440%0.398CS..Hα-helixtrans-71.8-39.9177.5-58.9-19.1000111.9I535 H567 A570 L571 M582 A587 A588 D589 F594 L595I535-F591 HydrophobicContact CD1-CD1 4.21Å; I535-F591 HydrophobicContact CD1-CE1 3.83Å; I535-F591 HydrophobicContact CD1-CZ 4.09Å; I535-F591 HydrophobicContact CG1-CE1 4.2Å; I535-F591 HydrophobicContact CG1-CZ 4.41Å; H567-F591 AromaticContact CD2-CD1 3.43Å; H567-F591 VanDerWaalsContact CD2-CD1 3.43Å; H567-F591 WeakPolarHBondContact CD2-CD1 3.44Å; H567-F591 AromaticContact CD2-CG 3.98Å; H567-F591 AromaticContact NE2-CD1 3.98Å; A570-F591 HydrophobicContact CB-CD2 3.8Å; A570-F591 HydrophobicContact CB-CE2 3.66Å; A570-F591 HydrophobicContact CB-CZ 4.38Å; L571-F591 HydrophobicContact CD1-CB 3.99Å; L571-F591 HydrophobicContact CD2-CB 3.98Å; L571-F591 HydrophobicContact CD2-CD2 4.2Å; L571-F591 HydrophobicContact CG-CB 3.87Å; L571-F591 HydrophobicContact CG-CD2 4.4Å; M582-F591 HydrophobicContact CG-CE2 4.17Å; M582-F591 HydrophobicContact SD-CD2 4.44Å; M582-F591 HydrophobicContact SD-CE2 4.23Å; A587-F591 HydrophobicContact CB-CE1 4.4Å; A587-F591 HydrophobicContact CB-CE2 4.05Å; A587-F591 HydrophobicContact CB-CZ 3.94Å; A587-F591 WeakPolarHBondContact O-CB 3.36Å; A587-F591 VanDerWaalsContact O-CD1 3.31Å; A587-F591 WeakPolarHBondContact O-CD1 3.24Å; A587-F591 VanDerWaalsContact O-CD2 3.3Å; A587-F591 WeakPolarHBondContact O-CD2 2.91Å; A587-F591 WeakPolarHBondContact O-CG 3.41Å; A587-F591 PolarHBondContact O-N 3.5Å; A588-F591 PolarHBondContact O-N 3.11Å; D589-F591 VanDerWaalsContact C-N 3.28Å; D589-F591 PolarHBondContact O-N 3.42Å; F591-F594 PolarHBondContact O-N 3.4Å; F591-L595 PolarHBondContact O-N 2.87Å; F591-L595 VanDerWaalsContact O-N 3.12Å
592S90.7Very high89Confident44 Ų4479.9 Ų79.931%0.30842%0.417SS..Hα-helixtrans-64.4-49176.9-56.40000111A588 D589 F594 L595 E596A588-S592 WeakPolarHBondContact O-CB 3.24Å; A588-S592 PolarHBondContact O-N 3.4Å; A588-S592 PolarHBondContact O-OG 3.17Å; D589-S592 PolarHBondContact O-N 3.25Å; S592-F594 PolarHBondContact O-N 3.48Å; S592-L595 PolarHBondContact O-N 3.44Å; S592-E596 WeakPolarHBondContact O-CG 3.28Å; S592-E596 PolarHBondContact O-N 2.88Å
593Q91.8Very high88.4Confident99 Ų9979.8 Ų79.846%0.46342%0.423SS..Hα-helixtrans-59.6-28174.4-70.2171.524.900113.4D589 K597D589-Q593 WeakPolarHBondContact O-CB 3.41Å; D589-Q593 WeakPolarHBondContact O-CG 3.34Å; D589-Q593 PolarHBondContact O-N 3.37Å; Q593-K597 WeakPolarHBondContact O-CG 3.49Å
594F91.3Very high88.3Confident35 Ų3578.1 Ų78.115%0.15441%0.414CS..Hα-helixtrans-73.4-41.5174.1-174.9-88.6000111.8T537 L563 V564 H567 R590 F591 S592 K597 N598T537-F594 HydrophobicContact CG2-CD2 4.43Å; T537-F594 HydrophobicContact CG2-CE2 4.24Å; L563-F594 HydrophobicContact CB-CE1 4.29Å; L563-F594 HydrophobicContact CB-CZ 4Å; V564-F594 HydrophobicContact CG2-CE1 4.04Å; H567-F594 HydrophobicContact CB-CD1 4Å; H567-F594 AromaticContact CD2-CD1 3.97Å; H567-F594 AromaticContact CD2-CG 3.95Å; H567-F594 AromaticContact CE1-CD1 3.63Å; H567-F594 AromaticContact CE1-CD2 3.96Å; H567-F594 AromaticContact CE1-CE1 3.83Å; H567-F594 AromaticContact CE1-CG 3.71Å; H567-F594 AromaticContact CG-CD1 3.5Å; H567-F594 AromaticContact CG-CG 3.97Å; H567-F594 AromaticContact ND1-CD1 3.28Å; H567-F594 VanDerWaalsContact ND1-CD1 3.28Å; H567-F594 WeakPolarHBondContact ND1-CD1 3.47Å; H567-F594 AromaticContact ND1-CE1 3.45Å; H567-F594 WeakPolarHBondContact ND1-CE1 3.38Å; H567-F594 AromaticContact ND1-CG 3.83Å; H567-F594 AromaticContact NE2-CG 3.81Å; R590-F594 WeakPolarHBondContact O-CB 3.44Å; R590-F594 PolarHBondContact O-N 2.91Å; R590-F594 VanDerWaalsContact O-N 3.15Å; F591-F594 PolarHBondContact O-N 3.4Å; S592-F594 PolarHBondContact O-N 3.48Å; F594-K597 PolarHBondContact O-N 2.82Å; F594-N598 HydrophobicContact CE1-CB 4.13Å; F594-N598 PolarHBondContact O-N 3.36Å; F594-N598 PolarHBondContact O-ND2 3.37Å
595L91.5Very high87.9Confident29 Ų2978.8 Ų78.815%0.15241%0.409CS..Hα-helixtrans-73.5-31177.9-67.8177.2000113.1V564 H567 H568 L571 F591 S592 K597 N598 P599V564-L595 HydrophobicContact CG1-CD2 4.03Å; H567-L595 HydrophobicContact CB-CD2 3.98Å; H567-L595 HydrophobicContact CB-CG 4.09Å; H568-L595 HydrophobicContact CB-CD1 4.36Å; H568-L595 HydrophobicContact CB-CD2 4.33Å; L571-L595 HydrophobicContact CD1-CD1 3.76Å; F591-L595 PolarHBondContact O-N 2.87Å; F591-L595 VanDerWaalsContact O-N 3.12Å; S592-L595 PolarHBondContact O-N 3.44Å; L595-K597 PolarHBondContact O-N 3.37Å; L595-N598 CarbonylContact O-C 3.51Å; L595-N598 PolarHBondContact O-N 2.8Å; L595-P599 VanDerWaalsContact O-CA 3.29Å; L595-P599 WeakPolarHBondContact O-CA 3.18Å; L595-P599 VanDerWaalsContact O-N 3.15Å
596E91.7Very high87.8Confident158 Ų15880.8 Ų80.874%0.73842%0.422SS*.Hα-helixtrans-59.2-37169.4-74.7176.2168.900111.7S592S592-E596 WeakPolarHBondContact O-CG 3.28Å; S592-E596 PolarHBondContact O-N 2.88Å
597K90.7Very high87.6Confident161 Ų16178.5 Ų78.570%0.741%0.41SS*.Hα-helixtrans-81.8-28.6176.4-68.6172.2-175.9170.20113.2Q593 F594 L595Q593-K597 WeakPolarHBondContact O-CG 3.49Å; F594-K597 PolarHBondContact O-N 2.82Å; L595-K597 PolarHBondContact O-N 3.37Å
598N89.4Confident87.3Confident63 Ų6381.4 Ų81.434%0.33743%0.425SS..SBendtrans-135.381.8-176.1-53.4-89.2000109.1V564 F594 L595V564-N598 HydrophobicContact CG2-CB 3.65Å; F594-N598 HydrophobicContact CE1-CB 4.13Å; F594-N598 PolarHBondContact O-N 3.36Å; F594-N598 PolarHBondContact O-ND2 3.37Å; L595-N598 CarbonylContact O-C 3.51Å; L595-N598 PolarHBondContact O-N 2.8Å
599P89.8Confident87.1Confident96 Ų9684.2 Ų84.262%0.62344%0.435SS*.  trans-63.7137.7-172.824.6-34.2000111.8L595 I601L595-P599 VanDerWaalsContact O-CA 3.29Å; L595-P599 WeakPolarHBondContact O-CA 3.18Å; L595-P599 VanDerWaalsContact O-N 3.15Å; P599-I601 PolarHBondContact O-N 3.11Å
600Y88.6Confident87.1Confident65 Ų6585.7 Ų85.726%0.25544%0.439SS..  trans-71.4126.2173.2172-112.1000110.7V564 L565 H568 P602V564-Y600 HydrophobicContact CG1-CD2 4.26Å; L565-Y600 HydrophobicContact CD2-CD2 4.12Å; L565-Y600 HydrophobicContact CD2-CE2 3.55Å; H568-Y600 HydrophobicContact CB-CD2 4.43Å; H568-Y600 HydrophobicContact CB-CG 4.26Å; H568-Y600 AromaticContact CD2-CD1 3.28Å; H568-Y600 WeakPolarHBondContact CD2-CD1 3.47Å; H568-Y600 AromaticContact CD2-CE1 3.87Å; H568-Y600 AromaticContact CD2-CG 3.55Å; H568-Y600 AromaticContact CE1-CD1 3.94Å; H568-Y600 AromaticContact CE1-CE1 3.7Å; H568-Y600 AromaticContact CG-CD1 3.92Å; H568-Y600 AromaticContact CG-CG 3.86Å; H568-Y600 AromaticContact NE2-CD1 3.33Å; H568-Y600 VanDerWaalsContact NE2-CD1 3.33Å; H568-Y600 WeakPolarHBondContact NE2-CD1 3.48Å; H568-Y600 AromaticContact NE2-CE1 3.47Å; H568-Y600 WeakPolarHBondContact NE2-CE1 3.33Å; Y600-P602 HydrophobicContact CE1-CB 4.15Å
601I87.4Confident86.9Confident140 Ų14082.5 Ų82.572%0.71844%0.436SS*.  trans-97.8113.8175.8-57.6174.5000107.9P599 A603P599-I601 PolarHBondContact O-N 3.11Å; I601-A603 PolarHBondContact O-N 3Å
602P81.9Confident86.7Confident90 Ų9084.7 Ų84.758%0.58445%0.448SS*.PPolyproline II helixtrans-69.1127.2175.628.4-33.3000110.2Y600Y600-P602 HydrophobicContact CE1-CB 4.15Å
603A76.8Confident86.6Confident40 Ų4088.8 Ų88.833%0.33146%0.461SS..PPolyproline II helixtrans-74.2136.6-179.900000111.6M520 I601 L608M520-A603 WeakPolarHBondContact CE-O 3.25Å; I601-A603 PolarHBondContact O-N 3Å; A603-L608 HydrophobicContact CB-CD1 4.17Å; A603-L608 HydrophobicContact CB-CD2 3.83Å; A603-L608 HydrophobicContact CB-CG 3.83Å
604N83.1Confident86.5Confident95 Ų9589.7 Ų89.751%0.50847%0.468SS..PPolyproline II helixtrans-72.3150.5173-56.5-63.1000110.7T606 D607 L608N604-T606 WeakPolarHBondContact CB-OG1 3.38Å; N604-T606 PolarHBondContact O-N 3.44Å; N604-D607 HydrophobicContact CB-CB 4.44Å; N604-D607 WeakPolarHBondContact CB-OD2 3.31Å; N604-D607 PolarHBondContact ND2-OD2 3.1Å; N604-D607 PolarHBondContact O-N 2.95Å; N604-D607 VanDerWaalsContact O-N 3.16Å; N604-L608 WeakPolarHBondContact O-CG 3.17Å; N604-L608 PolarHBondContact O-N 3.25Å
605Q80Confident86.2Confident129 Ų12992.4 Ų92.460%0.60348%0.484SS*.Hα-helixtrans-63.2-29.9178.6-170.4179.6-6.800112.6I609Q605-I609 HydrophobicContact CG-CD1 4.34Å; Q605-I609 WeakPolarHBondContact O-CD1 3.33Å; Q605-I609 VanDerWaalsContact O-CG1 3.25Å; Q605-I609 WeakPolarHBondContact O-CG1 3.24Å; Q605-I609 PolarHBondContact O-N 3.08Å
606T84.7Confident85.8Confident85 Ų8596.9 Ų96.952%0.52150%0.504SS..Hα-helixtrans-60.8-5217241.10000111.3N604 L608 I609 E610N604-T606 WeakPolarHBondContact CB-OG1 3.38Å; N604-T606 PolarHBondContact O-N 3.44Å; T606-L608 VanDerWaalsContact C-N 3.31Å; T606-L608 PolarHBondContact O-N 2.94Å; T606-I609 WeakPolarHBondContact O-CA 3.44Å; T606-I609 WeakPolarHBondContact O-CB 3.34Å; T606-I609 PolarHBondContact O-N 2.87Å; T606-E610 PolarHBondContact O-N 2.84Å
607D84.2Confident85.6Confident75 Ų7592 Ų9240%0.40149%0.491SS..Hα-helixtrans-69.4-35.9-171.3-44.6-4.8000109.6N604 I609 E610 A611N604-D607 HydrophobicContact CB-CB 4.44Å; N604-D607 WeakPolarHBondContact CB-OD2 3.31Å; N604-D607 PolarHBondContact ND2-OD2 3.1Å; N604-D607 PolarHBondContact O-N 2.95Å; N604-D607 VanDerWaalsContact O-N 3.16Å; D607-I609 PolarHBondContact O-N 2.74Å; D607-E610 PolarHBondContact O-N 2.93Å; D607-A611 VanDerWaalsContact O-CB 3.26Å; D607-A611 WeakPolarHBondContact O-CB 3.28Å; D607-A611 PolarHBondContact O-N 3.47Å
608L81.4Confident85.3Confident62 Ų6289.7 Ų89.733%0.32548%0.482SS..Hα-helixtrans-62.3-37.3169.6-70.3174.3000112.8M520 A603 N604 T606 N612M520-L608 HydrophobicContact CE-CD1 4.49Å; A603-L608 HydrophobicContact CB-CD1 4.17Å; A603-L608 HydrophobicContact CB-CD2 3.83Å; A603-L608 HydrophobicContact CB-CG 3.83Å; N604-L608 WeakPolarHBondContact O-CG 3.17Å; N604-L608 PolarHBondContact O-N 3.25Å; T606-L608 VanDerWaalsContact C-N 3.31Å; T606-L608 PolarHBondContact O-N 2.94Å; L608-N612 PolarHBondContact O-N 3.31Å; L608-N612 PolarHBondContact O-ND2 3.19Å
609I85.5Confident84.8Confident87 Ų8791.9 Ų91.945%0.44649%0.491SS..Hα-helixtrans-70.1-39.4177.2-70.3163.3000110.4Q605 T606 D607 K613Q605-I609 HydrophobicContact CG-CD1 4.34Å; Q605-I609 WeakPolarHBondContact O-CD1 3.33Å; Q605-I609 VanDerWaalsContact O-CG1 3.25Å; Q605-I609 WeakPolarHBondContact O-CG1 3.24Å; Q605-I609 PolarHBondContact O-N 3.08Å; T606-I609 WeakPolarHBondContact O-CA 3.44Å; T606-I609 WeakPolarHBondContact O-CB 3.34Å; T606-I609 PolarHBondContact O-N 2.87Å; D607-I609 PolarHBondContact O-N 2.74Å; I609-K613 WeakPolarHBondContact O-CG 3.39Å; I609-K613 PolarHBondContact O-N 3.45Å
610E88.7Confident84.3Confident125 Ų12591.7 Ų91.758%0.58449%0.488SS*.Hα-helixtrans-68.4-43.4176.3-67-175.817900111.7T606 D607 N612 K613 L614T606-E610 PolarHBondContact O-N 2.84Å; D607-E610 PolarHBondContact O-N 2.93Å; E610-N612 PolarHBondContact O-N 2.84Å; E610-K613 WeakPolarHBondContact O-CB 3.2Å; E610-K613 PolarHBondContact O-N 2.89Å; E610-L614 PolarHBondContact O-N 3Å
611A86Confident84Confident44 Ų4491.9 Ų91.936%0.36450%0.495SS..Hα-helixtrans-61.7-42.2175.700000113D607 K613 L614 L615D607-A611 VanDerWaalsContact O-CB 3.26Å; D607-A611 WeakPolarHBondContact O-CB 3.28Å; D607-A611 PolarHBondContact O-N 3.47Å; A611-K613 VanDerWaalsContact C-N 3.32Å; A611-K613 PolarHBondContact O-N 3.37Å; A611-L614 PolarHBondContact O-N 3.12Å; A611-L615 WeakPolarHBondContact O-CG 3.49Å; A611-L615 PolarHBondContact O-N 3.45Å
612N84.8Confident83.4Confident56 Ų5689.3 Ų89.330%0.29948%0.482SS..Hα-helixtrans-65.3-34.3175.6-73.4-75.9000111.8K523 L608 E610 L615 E616K523-N612 PolarHBondContact NZ-OD1 3.4Å; L608-N612 PolarHBondContact O-N 3.31Å; L608-N612 PolarHBondContact O-ND2 3.19Å; E610-N612 PolarHBondContact O-N 2.84Å; N612-L615 PolarHBondContact O-N 2.89Å; N612-E616 WeakPolarHBondContact O-CB 3.36Å; N612-E616 VanDerWaalsContact O-CG 3.31Å; N612-E616 WeakPolarHBondContact O-CG 3.39Å; N612-E616 PolarHBondContact O-N 3.34Å
613K88.8Confident82.9Confident130 Ų13089 Ų8957%0.56547%0.472SS*.Hα-helixtrans-66.2-37.8174.2-71.4170.9-177.8174.10113.1I609 E610 A611 A617I609-K613 WeakPolarHBondContact O-CG 3.39Å; I609-K613 PolarHBondContact O-N 3.45Å; E610-K613 WeakPolarHBondContact O-CB 3.2Å; E610-K613 PolarHBondContact O-N 2.89Å; A611-K613 VanDerWaalsContact C-N 3.32Å; A611-K613 PolarHBondContact O-N 3.37Å; K613-A617 PolarHBondContact O-N 2.64Å
614L89.5Confident82.8Confident118 Ų11891.5 Ų91.562%0.61848%0.483SS*.Hα-helixtrans-65.2-44.3174.9-69.4174.3000110.7E610 A611 A617 E618E610-L614 PolarHBondContact O-N 3Å; A611-L614 PolarHBondContact O-N 3.12Å; L614-A617 WeakPolarHBondContact O-CB 3.22Å; L614-A617 PolarHBondContact O-N 3.11Å; L614-E618 PolarHBondContact O-N 3.46Å
615L85.5Confident82.3Confident93 Ų9394.4 Ų94.449%0.48749%0.494SS..Hα-helixtrans-62.9-41175.1-69.9171.4000112.7A611 N612 A617 E618 E619A611-L615 WeakPolarHBondContact O-CG 3.49Å; A611-L615 PolarHBondContact O-N 3.45Å; N612-L615 PolarHBondContact O-N 2.89Å; L615-A617 VanDerWaalsContact C-N 3.29Å; L615-A617 PolarHBondContact O-N 3.31Å; L615-E618 PolarHBondContact O-N 3.39Å; L615-E619 VanDerWaalsContact O-CB 3.26Å; L615-E619 WeakPolarHBondContact O-CB 3.37Å; L615-E619 PolarHBondContact O-N 3.1Å
616E84.2Confident81.8Confident122 Ų12293 Ų9357%0.5749%0.49SS*.Hα-helixtrans-62.7-35.6174.4-76.2169.7-171.600111.7N612 V620N612-E616 WeakPolarHBondContact O-CB 3.36Å; N612-E616 VanDerWaalsContact O-CG 3.31Å; N612-E616 WeakPolarHBondContact O-CG 3.39Å; N612-E616 PolarHBondContact O-N 3.34Å; E616-V620 WeakPolarHBondContact O-CG2 3.44Å; E616-V620 PolarHBondContact O-N 2.91Å
617A87.3Confident80.7Confident57 Ų5796 Ų9647%0.47150%0.503SS..Hα-helixtrans-71.1-43.5174.700000112.5K613 L614 L615 V620 T621K613-A617 PolarHBondContact O-N 2.64Å; L614-A617 WeakPolarHBondContact O-CB 3.22Å; L614-A617 PolarHBondContact O-N 3.11Å; L615-A617 VanDerWaalsContact C-N 3.29Å; L615-A617 PolarHBondContact O-N 3.31Å; A617-V620 PolarHBondContact O-N 3.41Å; A617-T621 PolarHBondContact O-N 2.76Å
618E83.6Confident79.5Confident111 Ų11198.4 Ų98.452%0.51951%0.506SS..Hα-helixtrans-63.5-39.1174.6-74.7-176.9173.500112.2L614 L615 V620 T621 I622L614-E618 PolarHBondContact O-N 3.46Å; L615-E618 PolarHBondContact O-N 3.39Å; E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 2.59Å; E618-T621 WeakPolarHBondContact CA-OG1 3.45Å; E618-T621 PolarHBondContact O-N 3.09Å; E618-T621 PolarHBondContact O-OG1 3.46Å; E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.45Å; E618-I622 WeakPolarHBondContact O-CG1 3.2Å; E618-I622 PolarHBondContact O-N 3.04Å
619E79.1Confident78.3Confident110 Ų110103 Ų10351%0.51453%0.531SS..Hα-helixtrans-58.9-45.3175.2-179.6170.4-167.600110.7L615 I622 F623L615-E619 VanDerWaalsContact O-CB 3.26Å; L615-E619 WeakPolarHBondContact O-CB 3.37Å; L615-E619 PolarHBondContact O-N 3.1Å; E619-I622 PolarHBondContact O-N 3.18Å; E619-F623 HydrophobicContact CG-CD2 3.72Å; E619-F623 HydrophobicContact CG-CE2 3.44Å; E619-F623 VanDerWaalsContact CG-CE2 3.44Å; E619-F623 WeakPolarHBondContact O-CD2 3.37Å; E619-F623 PolarHBondContact O-N 3.25Å
620V79.4Confident77.2Confident92 Ų92106.8 Ų106.856%0.55855%0.547SS*.Hα-helixtrans-62.2-46.3174.31720000111.6E616 A617 E618 I622 F623 T624E616-V620 WeakPolarHBondContact O-CG2 3.44Å; E616-V620 PolarHBondContact O-N 2.91Å; A617-V620 PolarHBondContact O-N 3.41Å; E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 2.59Å; V620-I622 PolarHBondContact O-N 3.13Å; V620-F623 PolarHBondContact O-N 2.96Å; V620-T624 WeakPolarHBondContact O-CG2 3.45Å; V620-T624 PolarHBondContact O-N 2.74Å; V620-T624 PolarHBondContact O-OG1 2.72Å
621T82Confident76.1Confident68 Ų68103.9 Ų103.942%0.41754%0.535SS..Hα-helixtrans-63-44.3179.154.30000111.7A617 E618 F623 T624 E625A617-T621 PolarHBondContact O-N 2.76Å; E618-T621 WeakPolarHBondContact CA-OG1 3.45Å; E618-T621 PolarHBondContact O-N 3.09Å; E618-T621 PolarHBondContact O-OG1 3.46Å; T621-F623 PolarHBondContact O-N 3.24Å; T621-T624 WeakPolarHBondContact CA-OG1 3.46Å; T621-T624 PolarHBondContact O-N 3.12Å; T621-T624 PolarHBondContact O-OG1 2.95Å; T621-E625 WeakPolarHBondContact O-CG 3.3Å; T621-E625 PolarHBondContact O-N 3.21Å
622I75.7Confident75.4Confident87 Ų87107.6 Ų107.645%0.44655%0.548SS..Hα-helixtrans-61.4-42.6178.3-71166.5000111.2E618 E619 V620 L626E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.45Å; E618-I622 WeakPolarHBondContact O-CG1 3.2Å; E618-I622 PolarHBondContact O-N 3.04Å; E619-I622 PolarHBondContact O-N 3.18Å; V620-I622 PolarHBondContact O-N 3.13Å; I622-L626 HydrophobicContact CG2-CD1 3.65Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CB 3.01Å; I622-L626 WeakPolarHBondContact O-CG 3.26Å; I622-L626 PolarHBondContact O-N 2.72Å
623F70.8Confident75Confident82 Ų82111.9 Ų111.936%0.3657%0.57SS.*Hα-helixtrans-64-40.6175.5-80.8-55.1000112.4E619 V620 T621 N627 R628E619-F623 HydrophobicContact CG-CD2 3.72Å; E619-F623 HydrophobicContact CG-CE2 3.44Å; E619-F623 VanDerWaalsContact CG-CE2 3.44Å; E619-F623 WeakPolarHBondContact O-CD2 3.37Å; E619-F623 PolarHBondContact O-N 3.25Å; V620-F623 PolarHBondContact O-N 2.96Å; T621-F623 PolarHBondContact O-N 3.24Å; F623-N627 PolarHBondContact O-N 3.23Å; F623-R628 VanDerWaalsContact CD1-O 3.25Å; F623-R628 WeakPolarHBondContact CD1-O 3.25Å; F623-R628 PolarHBondContact O-N 2.91Å
624T74.9Confident74.5Confident93 Ų93112.5 Ų112.557%0.57158%0.575SS**Hα-helixtrans-67.7-41.7176.656.70000113.2V620 T621 N627V620-T624 WeakPolarHBondContact O-CG2 3.45Å; V620-T624 PolarHBondContact O-N 2.74Å; V620-T624 PolarHBondContact O-OG1 2.72Å; T621-T624 WeakPolarHBondContact CA-OG1 3.46Å; T621-T624 PolarHBondContact O-N 3.12Å; T621-T624 PolarHBondContact O-OG1 2.95Å; T624-N627 PolarHBondContact O-N 3.05Å
625E73Confident74Confident157 Ų157109.3 Ų109.373%0.73456%0.561SS**Hα-helixtrans-69.3-37.1179.6-73.3-175.1173.900112.5T621 N627T621-E625 WeakPolarHBondContact O-CG 3.3Å; T621-E625 PolarHBondContact O-N 3.21Å; E625-N627 VanDerWaalsContact C-N 3.28Å; E625-N627 PolarHBondContact O-N 3.08Å
626L68.8Low73.7Confident98 Ų98110.8 Ų110.851%0.51356%0.561SS.*THydrogen-bonded Turntrans-78.1-7.1179.6-72.5171.4000114I622 R628I622-L626 HydrophobicContact CG2-CD1 3.65Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CB 3.01Å; I622-L626 WeakPolarHBondContact O-CG 3.26Å; I622-L626 PolarHBondContact O-N 2.72Å; L626-R628 HydrophobicContact CB-CB 4.3Å; L626-R628 HydrophobicContact CB-CG 4.33Å; L626-R628 PolarHBondContact O-N 3Å
627N61.1Low73.7Confident149 Ų149107.6 Ų107.680%0.79755%0.552SS**THydrogen-bonded Turntrans48.541.1-172-71.5-69.8000112.7F623 T624 E625F623-N627 PolarHBondContact O-N 3.23Å; T624-N627 PolarHBondContact O-N 3.05Å; E625-N627 VanDerWaalsContact C-N 3.28Å; E625-N627 PolarHBondContact O-N 3.08Å
628R59.7Low73.6Confident126 Ų126109.8 Ų109.848%0.47555%0.552SS.*  trans-12079.4-176.7-78.7175.4179.6-169.3-1110.5F623 L626 H630 L631F623-R628 VanDerWaalsContact CD1-O 3.25Å; F623-R628 WeakPolarHBondContact CD1-O 3.25Å; F623-R628 PolarHBondContact O-N 2.91Å; L626-R628 HydrophobicContact CB-CB 4.3Å; L626-R628 HydrophobicContact CB-CG 4.33Å; L626-R628 PolarHBondContact O-N 3Å; R628-H630 PolarHBondContact O-N 2.64Å; R628-L631 HydrophobicContact CB-CD1 4.02Å; R628-L631 HydrophobicContact CG-CD1 4.11Å
629D56.7Low73.6Confident157 Ų157107.6 Ų107.684%0.8454%0.543SS*.  trans-55.3133.6162.6-71.5-22.5000109.2L631D629-L631 PolarHBondContact O-N 3.26Å
630H62.3Low73.9Confident168 Ų168109.2 Ų109.278%0.77855%0.545SS*.  trans5.499.8-179.3-66.9-49.8000116.7R628 D632R628-H630 PolarHBondContact O-N 2.64Å; H630-D632 PolarHBondContact O-N 3.32Å
631L64.3Low74.2Confident64 Ų64109.2 Ų109.234%0.33554%0.542SS..  trans-57.1113.5167.2-106.269.1000110.2R628 D629 I639R628-L631 HydrophobicContact CB-CD1 4.02Å; R628-L631 HydrophobicContact CG-CD1 4.11Å; D629-L631 PolarHBondContact O-N 3.26Å; L631-I639 HydrophobicContact CD2-CD1 3.72Å
632D71.9Confident74.5Confident121 Ų121111.6 Ų111.665%0.64755%0.548SS*.  trans-54.7141.9170.9-80.4-35.8000110.1H630 E634 T635 Y636H630-D632 PolarHBondContact O-N 3.32Å; D632-E634 PolarHBondContact O-N 3.22Å; D632-T635 HydrophobicContact CB-CG2 4.23Å; D632-T635 PolarHBondContact N-OG1 3.08Å; D632-T635 WeakPolarHBondContact O-CA 3.47Å; D632-T635 PolarHBondContact O-N 2.7Å; D632-T635 PolarHBondContact O-OG1 2.88Å; D632-Y636 PolarHBondContact O-N 3.25Å
633L76.5Confident74.9Confident146 Ų146110.6 Ų110.676%0.76455%0.548SS*.Hα-helixtrans-52.3-32.5-178.4-178.463.8000113S637L633-S637 WeakPolarHBondContact O-CB 3.04Å; L633-S637 PolarHBondContact O-N 2.85Å
634E78.4Confident75.6Confident144 Ų144114.2 Ų114.267%0.67356%0.561SS**Hα-helixtrans-70-41.6175.8-168.2169.3-172.400112.2D632 S637 Q638D632-E634 PolarHBondContact O-N 3.22Å; E634-S637 PolarHBondContact O-N 3.44Å; E634-Q638 VanDerWaalsContact O-CG 3.28Å; E634-Q638 WeakPolarHBondContact O-CG 3.36Å; E634-Q638 PolarHBondContact O-N 3.18Å
635T80Confident76.1Confident50 Ų50113.9 Ų113.931%0.30756%0.562SS.*Hα-helixtrans-67.5-38.5173.767.10000112D632 Q638 I639D632-T635 HydrophobicContact CB-CG2 4.23Å; D632-T635 PolarHBondContact N-OG1 3.08Å; D632-T635 WeakPolarHBondContact O-CA 3.47Å; D632-T635 PolarHBondContact O-N 2.7Å; D632-T635 PolarHBondContact O-OG1 2.88Å; T635-Q638 PolarHBondContact O-N 2.73Å; T635-I639 WeakPolarHBondContact O-CG1 3.22Å; T635-I639 PolarHBondContact O-N 2.77Å
636Y77.7Confident76.8Confident125 Ų125111.5 Ų111.549%0.4955%0.551SS.*Hα-helixtrans-61.7-44.5172.3178-93.9000111.2D632 Q638 I639 W640D632-Y636 PolarHBondContact O-N 3.25Å; Y636-Q638 PolarHBondContact O-N 3.06Å; Y636-I639 PolarHBondContact O-N 3.02Å; Y636-W640 WeakPolarHBondContact O-CB 3.1Å; Y636-W640 PolarHBondContact O-N 2.83Å
637S83.9Confident77.6Confident55 Ų55110.1 Ų110.139%0.38555%0.547SS..Hα-helixtrans-64.2-39.2176.6-175.90000112.5L633 E634 W640 N641L633-S637 WeakPolarHBondContact O-CB 3.04Å; L633-S637 PolarHBondContact O-N 2.85Å; E634-S637 PolarHBondContact O-N 3.44Å; S637-W640 PolarHBondContact O-N 2.73Å; S637-N641 WeakPolarHBondContact O-CB 3.41Å; S637-N641 PolarHBondContact O-N 2.94Å; S637-N641 PolarHBondContact O-ND2 2.59Å; S637-N641 VanDerWaalsContact O-ND2 3.11Å
638Q86.4Confident78.8Confident102 Ų102103.6 Ų103.648%0.47751%0.513SS..Hα-helixtrans-62.2-51.9174.4-72.9168.615.200111.6E634 T635 Y636 W640 N641 E642E634-Q638 VanDerWaalsContact O-CG 3.28Å; E634-Q638 WeakPolarHBondContact O-CG 3.36Å; E634-Q638 PolarHBondContact O-N 3.18Å; T635-Q638 PolarHBondContact O-N 2.73Å; Y636-Q638 PolarHBondContact O-N 3.06Å; Q638-W640 VanDerWaalsContact C-N 3.31Å; Q638-W640 PolarHBondContact O-N 2.66Å; Q638-N641 PolarHBondContact O-N 3.26Å; Q638-E642 WeakPolarHBondContact O-CG 3.39Å; Q638-E642 PolarHBondContact O-N 3.14Å
639I83.8Confident80.1Confident65 Ų6599.1 Ų99.133%0.33350%0.497SS..Hα-helixtrans-61.7-40.5178.1-67.1163.6000110.9L631 T635 Y636 E642 C643L631-I639 HydrophobicContact CD2-CD1 3.72Å; T635-I639 WeakPolarHBondContact O-CG1 3.22Å; T635-I639 PolarHBondContact O-N 2.77Å; Y636-I639 PolarHBondContact O-N 3.02Å; I639-E642 PolarHBondContact O-N 2.68Å; I639-C643 WeakPolarHBondContact O-CB 3.33Å; I639-C643 PolarHBondContact O-N 2.98Å; I639-C643 PolarHBondContact O-SG 3.02Å; I639-C643 VanDerWaalsContact O-SG 3.37Å
640W85.2Confident81.6Confident144 Ų14491.8 Ų91.855%0.54546%0.458SS..Hα-helixtrans-59.4-47.5174.3177.6-93.3000111.7Y636 S637 Q638 C643 Y644Y636-W640 WeakPolarHBondContact O-CB 3.1Å; Y636-W640 PolarHBondContact O-N 2.83Å; S637-W640 PolarHBondContact O-N 2.73Å; Q638-W640 VanDerWaalsContact C-N 3.31Å; Q638-W640 PolarHBondContact O-N 2.66Å; W640-C643 PolarHBondContact O-N 3.3Å; W640-Y644 VanDerWaalsContact O-CB 3.22Å; W640-Y644 WeakPolarHBondContact O-CB 3.22Å; W640-Y644 PolarHBondContact O-N 2.78Å
641N86Confident82.8Confident92 Ų9285.3 Ų85.349%0.49243%0.431SS..Hα-helixtrans-65.3-38.4178.3-68.4-24.1000111.9S637 Q638 Y644 S645S637-N641 WeakPolarHBondContact O-CB 3.41Å; S637-N641 PolarHBondContact O-N 2.94Å; S637-N641 PolarHBondContact O-ND2 2.59Å; S637-N641 VanDerWaalsContact O-ND2 3.11Å; Q638-N641 PolarHBondContact O-N 3.26Å; N641-Y644 PolarHBondContact O-N 3.32Å; N641-S645 WeakPolarHBondContact O-CB 3.42Å; N641-S645 PolarHBondContact O-N 3.46Å
642E87.5Confident83.8Confident119 Ų11986.5 Ų86.556%0.55645%0.445SS*.Hα-helixtrans-63.1-49.3173.3-74.8-176.7175.900111.5Q638 I639 Y644 S645 Q646Q638-E642 WeakPolarHBondContact O-CG 3.39Å; Q638-E642 PolarHBondContact O-N 3.14Å; I639-E642 PolarHBondContact O-N 2.68Å; E642-Y644 VanDerWaalsContact C-N 3.33Å; E642-Y644 PolarHBondContact O-N 2.82Å; E642-S645 PolarHBondContact O-N 3.48Å; E642-S645 PolarHBondContact O-OG 2.88Å; E642-Q646 WeakPolarHBondContact O-CG 3.33Å; E642-Q646 PolarHBondContact O-N 3.45Å
643C84.8Confident84.4Confident66 Ų6686 Ų8645%0.44644%0.439SS..Hα-helixtrans-62.2-39.4176.4-72.30000112.2I639 W640 Q646I639-C643 WeakPolarHBondContact O-CB 3.33Å; I639-C643 PolarHBondContact O-N 2.98Å; I639-C643 PolarHBondContact O-SG 3.02Å; I639-C643 VanDerWaalsContact O-SG 3.37Å; W640-C643 PolarHBondContact O-N 3.3Å; C643-Q646 PolarHBondContact O-N 3.3Å
644Y85.5Confident84.7Confident158 Ų15885.9 Ų85.962%0.6244%0.438SS*.Hα-helixtrans-65-41.9176-169.2-101.5000111.3W640 N641 E642 Q646 V647W640-Y644 VanDerWaalsContact O-CB 3.22Å; W640-Y644 WeakPolarHBondContact O-CB 3.22Å; W640-Y644 PolarHBondContact O-N 2.78Å; N641-Y644 PolarHBondContact O-N 3.32Å; E642-Y644 VanDerWaalsContact C-N 3.33Å; E642-Y644 PolarHBondContact O-N 2.82Å; Y644-Q646 PolarHBondContact O-N 3.47Å; Y644-Q646 VanDerWaalsContact O-N 3.15Å; Y644-V647 PolarHBondContact O-N 2.69Å; Y644-V647 VanDerWaalsContact O-O 3.13Å
645S84.7Confident84.9Confident86 Ų8687 Ų8760%0.60144%0.436SS*.Hα-helixtrans-62.2-21175.9800000114.2N641 E642 V647N641-S645 WeakPolarHBondContact O-CB 3.42Å; N641-S645 PolarHBondContact O-N 3.46Å; E642-S645 PolarHBondContact O-N 3.48Å; E642-S645 PolarHBondContact O-OG 2.88Å; S645-V647 VanDerWaalsContact C-N 3.35Å
646Q86.8Confident85.1Confident107 Ų10791.8 Ų91.850%0.545%0.449SS..THydrogen-bonded Turntrans-84.5-6.9175.7-66.6174.230.400113.3E642 C643 Y644 R658 A659E642-Q646 WeakPolarHBondContact O-CG 3.33Å; E642-Q646 PolarHBondContact O-N 3.45Å; C643-Q646 PolarHBondContact O-N 3.3Å; Y644-Q646 PolarHBondContact O-N 3.47Å; Y644-Q646 VanDerWaalsContact O-N 3.15Å; Q646-R658 CarbonylContact O-C 3.51Å; Q646-R658 VanDerWaalsContact O-CA 3.25Å; Q646-R658 WeakPolarHBondContact O-CA 3.41Å; Q646-A659 PolarHBondContact O-N 2.87Å
647V86.4Confident85.4Confident69 Ų6987.3 Ų87.342%0.41844%0.435SS..EExtended strand (participates in β ladder)trans-113.3123.4-179179.70000109.3Y644 S645 Y656Y644-V647 PolarHBondContact O-N 2.69Å; Y644-V647 VanDerWaalsContact O-O 3.13Å; S645-V647 VanDerWaalsContact C-N 3.35Å; V647-Y656 HydrophobicContact CG1-CD1 3.83Å; V647-Y656 HydrophobicContact CG1-CG 4.21Å
648A86.1Confident85.6Confident12 Ų1293.4 Ų93.410%0.09945%0.45CS..EExtended strand (participates in β ladder)trans-128.2143.8179.900000110.4Y656 T657 A659 M662A648-Y656 WeakPolarHBondContact O-CA 3.44Å; A648-T657 PolarHBondContact N-O 2.82Å; A648-T657 PolarHBondContact O-N 3.27Å; A648-A659 HydrophobicContact CB-CB 4.39Å; A648-M662 HydrophobicContact CB-CE 3.94Å; A648-M662 HydrophobicContact CB-SD 3.43Å; A648-M662 WeakPolarHBondContact CB-SD 3.48Å
649F87.8Confident85.5Confident31 Ų3189.5 Ų89.514%0.13644%0.435CS..EExtended strand (participates in β ladder)trans-82.8131.3176.8-174.4-104.5000110.6P651 L654 Y656 S670 F673F649-P651 HydrophobicContact CD1-CG 4.3Å; F649-P651 HydrophobicContact CE1-CB 4.44Å; F649-P651 WeakPolarHBondContact O-CD 3.43Å; F649-L654 HydrophobicContact CZ-CB 4.39Å; F649-L654 HydrophobicContact CZ-CD2 4.05Å; F649-Y656 HydrophobicContact CB-CD1 3.95Å; F649-Y656 HydrophobicContact CB-CE1 3.72Å; F649-Y656 HydrophobicContact CD2-CD1 4.1Å; F649-Y656 HydrophobicContact CD2-CD2 4.11Å; F649-Y656 AromaticContact CD2-CE1 3.91Å; F649-Y656 HydrophobicContact CD2-CE1 3.91Å; F649-Y656 AromaticContact CD2-CE2 3.88Å; F649-Y656 HydrophobicContact CD2-CE2 3.88Å; F649-Y656 HydrophobicContact CD2-CG 4.21Å; F649-Y656 AromaticContact CD2-CZ 3.78Å; F649-Y656 HydrophobicContact CE2-CE2 4.39Å; F649-Y656 HydrophobicContact CG-CE1 4.26Å; F649-S670 WeakPolarHBondContact O-CB 3.49Å; F649-F673 AromaticContact CD1-CD1 3.6Å; F649-F673 HydrophobicContact CD1-CD1 3.6Å; F649-F673 AromaticContact CD1-CE1 3.34Å; F649-F673 HydrophobicContact CD1-CE1 3.34Å; F649-F673 HydrophobicContact CD1-CZ 4.24Å; F649-F673 AromaticContact CE1-CD1 3.95Å; F649-F673 HydrophobicContact CE1-CD1 3.95Å; F649-F673 AromaticContact CE1-CE1 3.31Å; F649-F673 HydrophobicContact CE1-CE1 3.31Å; F649-F673 AromaticContact CE1-CZ 3.75Å; F649-F673 HydrophobicContact CE1-CZ 3.75Å; F649-F673 HydrophobicContact CG-CE1 4.44Å; F649-F673 HydrophobicContact CZ-CE1 4.41Å
650L88Confident85.7Confident4 Ų491 Ų912%0.02146%0.457CS..EExtended strand (participates in β ladder)trans-100.6105.7176.2-153.287.9000109.5S652 Q653 L654 R655 T657 M662 E666L650-S652 VanDerWaalsContact C-N 3.29Å; L650-S652 WeakPolarHBondContact CD2-OG 3.41Å; L650-S652 PolarHBondContact O-N 3.27Å; L650-Q653 HydrophobicContact CD2-CB 3.88Å; L650-Q653 HydrophobicContact CD2-CG 3.61Å; L650-Q653 PolarHBondContact O-N 3.27Å; L650-L654 PolarHBondContact O-N 3.44Å; L650-R655 WeakPolarHBondContact CB-O 3.47Å; L650-R655 PolarHBondContact N-O 3.47Å; L650-R655 PolarHBondContact O-N 3.15Å; L650-T657 HydrophobicContact CB-CG2 4.48Å; L650-M662 HydrophobicContact CD1-CE 3.56Å; L650-M662 HydrophobicContact CD1-CG 4.44Å; L650-E666 HydrophobicContact CD1-CB 3.63Å; L650-E666 HydrophobicContact CD1-CG 3.82Å
651P86.1Confident85.7Confident32 Ų3291.4 Ų91.421%0.20847%0.467CS..G310 helixtrans-63.3-35.4-172.6-22.534.3000112.9F649 Q653 L654 F673F649-P651 HydrophobicContact CD1-CG 4.3Å; F649-P651 HydrophobicContact CE1-CB 4.44Å; F649-P651 WeakPolarHBondContact O-CD 3.43Å; P651-Q653 VanDerWaalsContact C-N 3.26Å; P651-Q653 PolarHBondContact O-N 2.98Å; P651-L654 PolarHBondContact O-N 3.19Å; P651-F673 HydrophobicContact CB-CB 4.25Å; P651-F673 HydrophobicContact CB-CD2 4.12Å; P651-F673 HydrophobicContact CB-CG 4.06Å; P651-F673 HydrophobicContact CG-CB 3.42Å; P651-F673 VanDerWaalsContact CG-CB 3.42Å; P651-F673 HydrophobicContact CG-CD1 3.96Å; P651-F673 HydrophobicContact CG-CD2 4.17Å; P651-F673 HydrophobicContact CG-CG 3.6Å
652S85.5Confident85.7Confident89 Ų8987.9 Ų87.962%0.62245%0.447SS*.G310 helixtrans-66.6-20.7179.656.30000114.8L650L650-S652 VanDerWaalsContact C-N 3.29Å; L650-S652 WeakPolarHBondContact CD2-OG 3.41Å; L650-S652 PolarHBondContact O-N 3.27Å
653Q85.2Confident85.8Confident111 Ų11185.9 Ų85.952%0.51944%0.443SS..G310 helixtrans-117.8-0.1179-68.3174.620.400113L650 P651 R655L650-Q653 HydrophobicContact CD2-CB 3.88Å; L650-Q653 HydrophobicContact CD2-CG 3.61Å; L650-Q653 PolarHBondContact O-N 3.27Å; P651-Q653 VanDerWaalsContact C-N 3.26Å; P651-Q653 PolarHBondContact O-N 2.98Å; Q653-R655 HydrophobicContact CB-CB 4.25Å; Q653-R655 PolarHBondContact O-N 2.98Å; Q653-R655 VanDerWaalsContact O-N 3.16Å
654L83.2Confident86Confident142 Ų14291.6 Ų91.674%0.74346%0.461SS*.THydrogen-bonded Turntrans4936.7-173.4-60.7173.5000113.4F649 L650 P651F649-L654 HydrophobicContact CZ-CB 4.39Å; F649-L654 HydrophobicContact CZ-CD2 4.05Å; L650-L654 PolarHBondContact O-N 3.44Å; P651-L654 PolarHBondContact O-N 3.19Å
655R81.6Confident86.3Confident168 Ų16891 Ų9163%0.63446%0.462SS*.EExtended strand (participates in β ladder)trans-137.2140.7-169.5-176.4-180176.2-174.53.2112.3L650 Q653L650-R655 WeakPolarHBondContact CB-O 3.47Å; L650-R655 PolarHBondContact N-O 3.47Å; L650-R655 PolarHBondContact O-N 3.15Å; Q653-R655 HydrophobicContact CB-CB 4.25Å; Q653-R655 PolarHBondContact O-N 2.98Å; Q653-R655 VanDerWaalsContact O-N 3.16Å
656Y84.4Confident86.6Confident150 Ų15089.2 Ų89.259%0.58844%0.444SS*.EExtended strand (participates in β ladder)trans-74.9129.9166.8-67.7-80.9000111.8V647 A648 F649V647-Y656 HydrophobicContact CG1-CD1 3.83Å; V647-Y656 HydrophobicContact CG1-CG 4.21Å; A648-Y656 WeakPolarHBondContact O-CA 3.44Å; F649-Y656 HydrophobicContact CB-CD1 3.95Å; F649-Y656 HydrophobicContact CB-CE1 3.72Å; F649-Y656 HydrophobicContact CD2-CD1 4.1Å; F649-Y656 HydrophobicContact CD2-CD2 4.11Å; F649-Y656 AromaticContact CD2-CE1 3.91Å; F649-Y656 HydrophobicContact CD2-CE1 3.91Å; F649-Y656 AromaticContact CD2-CE2 3.88Å; F649-Y656 HydrophobicContact CD2-CE2 3.88Å; F649-Y656 HydrophobicContact CD2-CG 4.21Å; F649-Y656 AromaticContact CD2-CZ 3.78Å; F649-Y656 HydrophobicContact CE2-CE2 4.39Å; F649-Y656 HydrophobicContact CG-CE1 4.26Å
657T84.8Confident86.7Confident32 Ų3289.9 Ų89.920%0.19644%0.441CS..EExtended strand (participates in β ladder)trans-127.5165.3177.863.60000110.2A648 L650A648-T657 PolarHBondContact N-O 2.82Å; A648-T657 PolarHBondContact O-N 3.27Å; L650-T657 HydrophobicContact CB-CG2 4.48Å
658R87Confident86.8Confident182 Ų18292.2 Ų92.269%0.68745%0.451SS*.EExtended strand (participates in β ladder)trans-73.9130.6171.8-73-177.7178.4163.5-0.8109.1Q646 A660 M661Q646-R658 CarbonylContact O-C 3.51Å; Q646-R658 VanDerWaalsContact O-CA 3.25Å; Q646-R658 WeakPolarHBondContact O-CA 3.41Å; R658-A660 PolarHBondContact O-N 3.49Å; R658-M661 HydrophobicContact CB-CG 4.33Å; R658-M661 WeakPolarHBondContact O-CB 3.01Å; R658-M661 PolarHBondContact O-N 2.94Å
659A85.5Confident87Confident20 Ų2094.5 Ų94.517%0.16546%0.462CS..G310 helixtrans-55.9-25-177.800000113.8Q646 A648 R667Q646-A659 PolarHBondContact O-N 2.87Å; A648-A659 HydrophobicContact CB-CB 4.39Å; A659-R667 PolarHBondContact O-NH2 3.19Å
660A86.6Confident87.1Confident96 Ų9693.2 Ų93.279%0.79346%0.456SS*.G310 helixtrans-71.8-22.4174.500000114.6R658R658-A660 PolarHBondContact O-N 3.49Å
661M85.7Confident87.1Confident154 Ų15497.5 Ų97.576%0.75948%0.479SS*.G310 helixtrans-87.7-7.7179-65.3-63.9-161.900113.2R658R658-M661 HydrophobicContact CB-CG 4.33Å; R658-M661 WeakPolarHBondContact O-CB 3.01Å; R658-M661 PolarHBondContact O-N 2.94Å
662M85.7Confident87.4Confident17 Ų17101.3 Ų101.38%0.08449%0.494CS..  trans-83.8137-176.5-55173.489.800111.7A648 L650 E666 S670A648-M662 HydrophobicContact CB-CE 3.94Å; A648-M662 HydrophobicContact CB-SD 3.43Å; A648-M662 WeakPolarHBondContact CB-SD 3.48Å; L650-M662 HydrophobicContact CD1-CE 3.56Å; L650-M662 HydrophobicContact CD1-CG 4.44Å; M662-E666 HydrophobicContact CB-CB 4.24Å; M662-E666 HydrophobicContact CE-CB 4.36Å; M662-E666 WeakPolarHBondContact CE-O 3.41Å; M662-S670 WeakPolarHBondContact CE-OG 3.42Å
663T90.4Very high87.7Confident77 Ų77100.3 Ų100.347%0.47248%0.478SS..  trans-65.4161.6164.264.50000111.1K665 E666 R667T663-K665 PolarHBondContact O-N 2.9Å; T663-E666 VanDerWaalsContact CB-OE2 3.31Å; T663-E666 WeakPolarHBondContact CB-OE2 3.42Å; T663-E666 WeakPolarHBondContact CG2-OE2 3.48Å; T663-E666 PolarHBondContact N-OE2 2.98Å; T663-E666 PolarHBondContact O-N 3.29Å; T663-E666 WeakPolarHBondContact OG1-CB 3.4Å; T663-E666 VanDerWaalsContact OG1-CD 3.26Å; T663-E666 VanDerWaalsContact OG1-CG 3.29Å; T663-E666 WeakPolarHBondContact OG1-CG 3.35Å; T663-E666 PolarHBondContact OG1-N 3.05Å; T663-E666 PolarHBondContact OG1-OE2 3.1Å; T663-R667 PolarHBondContact O-N 2.86Å
664K89.6Confident87.9Confident186 Ų18699 Ų9981%0.80947%0.472SS*.Hα-helixtrans-58.8-32.7176.7-68.7-176-179.91790112.9L668K664-L668 PolarHBondContact O-N 3.43Å
665K91.1Very high88.3Confident147 Ų14797.4 Ų97.464%0.63946%0.464SS*.Hα-helixtrans-69-53.8176.7-176-175173.2-174.80110.5T663 R667 L668 D669T663-K665 PolarHBondContact O-N 2.9Å; K665-R667 PolarHBondContact O-N 3.29Å; K665-L668 WeakPolarHBondContact O-CA 3.43Å; K665-L668 WeakPolarHBondContact O-CB 3.45Å; K665-L668 PolarHBondContact O-N 3.09Å; K665-D669 VanDerWaalsContact O-CG 3.29Å; K665-D669 PolarHBondContact O-N 3.25Å
666E91.2Very high88.9Confident48 Ų4893.7 Ų93.722%0.22445%0.454CS..Hα-helixtrans-55.9-34.9177.7-77.5165.714600113.3L650 M662 T663 D669 S670L650-E666 HydrophobicContact CD1-CB 3.63Å; L650-E666 HydrophobicContact CD1-CG 3.82Å; M662-E666 HydrophobicContact CB-CB 4.24Å; M662-E666 HydrophobicContact CE-CB 4.36Å; M662-E666 WeakPolarHBondContact CE-O 3.41Å; T663-E666 VanDerWaalsContact CB-OE2 3.31Å; T663-E666 WeakPolarHBondContact CB-OE2 3.42Å; T663-E666 WeakPolarHBondContact CG2-OE2 3.48Å; T663-E666 PolarHBondContact N-OE2 2.98Å; T663-E666 PolarHBondContact O-N 3.29Å; T663-E666 WeakPolarHBondContact OG1-CB 3.4Å; T663-E666 VanDerWaalsContact OG1-CD 3.26Å; T663-E666 VanDerWaalsContact OG1-CG 3.29Å; T663-E666 WeakPolarHBondContact OG1-CG 3.35Å; T663-E666 PolarHBondContact OG1-N 3.05Å; T663-E666 PolarHBondContact OG1-OE2 3.1Å; E666-D669 PolarHBondContact O-N 2.79Å; E666-S670 PolarHBondContact O-N 3.16Å; E666-S670 PolarHBondContact O-OG 3.47Å
667R87.8Confident89.1Confident120 Ų12089.1 Ų89.145%0.45344%0.44SS..Hα-helixtrans-70.7-33.7174.4-169.8179.6-66.2171.60.1113A659 T663 K665 S670 L671A659-R667 PolarHBondContact O-NH2 3.19Å; T663-R667 PolarHBondContact O-N 2.86Å; K665-R667 PolarHBondContact O-N 3.29Å; R667-S670 PolarHBondContact O-OG 3.01Å; R667-L671 HydrophobicContact CG-CD1 4.26Å; R667-L671 WeakPolarHBondContact O-CB 3.5Å; R667-L671 WeakPolarHBondContact O-CD1 3.36Å; R667-L671 VanDerWaalsContact O-CG 3.23Å; R667-L671 WeakPolarHBondContact O-CG 3.34Å; R667-L671 PolarHBondContact O-N 2.91Å; R667-L671 VanDerWaalsContact O-N 3.17Å
668L90.1Very high89.4Confident119 Ų11992.3 Ų92.362%0.62346%0.455SS*.Hα-helixtrans-67.9-46170.4-80.3166.4000110.4K664 K665 S670 L671 Q672K664-L668 PolarHBondContact O-N 3.43Å; K665-L668 WeakPolarHBondContact O-CA 3.43Å; K665-L668 WeakPolarHBondContact O-CB 3.45Å; K665-L668 PolarHBondContact O-N 3.09Å; L668-S670 VanDerWaalsContact C-N 3.29Å; L668-S670 PolarHBondContact O-N 3.41Å; L668-L671 PolarHBondContact O-N 3.23Å; L668-Q672 WeakPolarHBondContact O-CB 3.46Å; L668-Q672 PolarHBondContact O-N 3.19Å
669D90.8Very high89.7Confident60 Ų6086.9 Ų86.932%0.32144%0.443SS..Hα-helixtrans-58.3-40.9178.3-59.1-17.1000111K665 E666 F673K665-D669 VanDerWaalsContact O-CG 3.29Å; K665-D669 PolarHBondContact O-N 3.25Å; E666-D669 PolarHBondContact O-N 2.79Å; D669-F673 WeakPolarHBondContact O-CB 3.42Å; D669-F673 PolarHBondContact O-N 3.5Å
670S88.4Confident90.1Very high3 Ų389.3 Ų89.32%0.02146%0.455CS..Hα-helixtrans-67.2-45175.768.90000113.4F649 M662 E666 R667 L668 Q672 F673 E674F649-S670 WeakPolarHBondContact O-CB 3.49Å; M662-S670 WeakPolarHBondContact CE-OG 3.42Å; E666-S670 PolarHBondContact O-N 3.16Å; E666-S670 PolarHBondContact O-OG 3.47Å; R667-S670 PolarHBondContact O-OG 3.01Å; L668-S670 VanDerWaalsContact C-N 3.29Å; L668-S670 PolarHBondContact O-N 3.41Å; S670-Q672 VanDerWaalsContact C-N 3.34Å; S670-F673 PolarHBondContact O-N 3.3Å; S670-E674 WeakPolarHBondContact O-CG 3.39Å; S670-E674 PolarHBondContact O-N 2.81Å
671L88.6Confident90.4Very high95 Ų9591.9 Ų91.950%0.49745%0.445SS..Hα-helixtrans-67.7-35.5179.9-72.9170000111.7R667 L668 L675R667-L671 HydrophobicContact CG-CD1 4.26Å; R667-L671 WeakPolarHBondContact O-CB 3.5Å; R667-L671 WeakPolarHBondContact O-CD1 3.36Å; R667-L671 VanDerWaalsContact O-CG 3.23Å; R667-L671 WeakPolarHBondContact O-CG 3.34Å; R667-L671 PolarHBondContact O-N 2.91Å; R667-L671 VanDerWaalsContact O-N 3.17Å; L668-L671 PolarHBondContact O-N 3.23Å; L671-L675 WeakPolarHBondContact O-CB 3.34Å; L671-L675 PolarHBondContact O-N 3.35Å
672Q92.5Very high90.7Very high112 Ų11287.1 Ų87.152%0.52343%0.429SS..Hα-helixtrans-64.6-45.8172.6-178.1176.6-23.900110.7L668 S670 E674 L675 E676L668-Q672 WeakPolarHBondContact O-CB 3.46Å; L668-Q672 PolarHBondContact O-N 3.19Å; S670-Q672 VanDerWaalsContact C-N 3.34Å; Q672-E674 PolarHBondContact O-N 3.05Å; Q672-L675 WeakPolarHBondContact O-CB 3.4Å; Q672-L675 PolarHBondContact O-N 3.08Å; Q672-E676 HydrophobicContact CG-CG 4.43Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.28Å; Q672-E676 PolarHBondContact NE2-OE1 3.3Å; Q672-E676 WeakPolarHBondContact O-CB 3.44Å; Q672-E676 WeakPolarHBondContact O-CG 3.01Å; Q672-E676 PolarHBondContact O-N 2.86Å
673F91.9Very high91.1Very high67 Ų6789.9 Ų89.929%0.29445%0.447SS..Hα-helixtrans-64.1-37.9176.9179.5-101.6000113.1F649 P651 D669 S670 E676 N677F649-F673 AromaticContact CD1-CD1 3.6Å; F649-F673 HydrophobicContact CD1-CD1 3.6Å; F649-F673 AromaticContact CD1-CE1 3.34Å; F649-F673 HydrophobicContact CD1-CE1 3.34Å; F649-F673 HydrophobicContact CD1-CZ 4.24Å; F649-F673 AromaticContact CE1-CD1 3.95Å; F649-F673 HydrophobicContact CE1-CD1 3.95Å; F649-F673 AromaticContact CE1-CE1 3.31Å; F649-F673 HydrophobicContact CE1-CE1 3.31Å; F649-F673 AromaticContact CE1-CZ 3.75Å; F649-F673 HydrophobicContact CE1-CZ 3.75Å; F649-F673 HydrophobicContact CG-CE1 4.44Å; F649-F673 HydrophobicContact CZ-CE1 4.41Å; P651-F673 HydrophobicContact CB-CB 4.25Å; P651-F673 HydrophobicContact CB-CD2 4.12Å; P651-F673 HydrophobicContact CB-CG 4.06Å; P651-F673 HydrophobicContact CG-CB 3.42Å; P651-F673 VanDerWaalsContact CG-CB 3.42Å; P651-F673 HydrophobicContact CG-CD1 3.96Å; P651-F673 HydrophobicContact CG-CD2 4.17Å; P651-F673 HydrophobicContact CG-CG 3.6Å; D669-F673 WeakPolarHBondContact O-CB 3.42Å; D669-F673 PolarHBondContact O-N 3.5Å; S670-F673 PolarHBondContact O-N 3.3Å; F673-E676 PolarHBondContact O-N 3.12Å; F673-N677 VanDerWaalsContact CD1-ND2 3.26Å; F673-N677 WeakPolarHBondContact CD1-ND2 3.35Å; F673-N677 WeakPolarHBondContact CE1-ND2 3.15Å; F673-N677 WeakPolarHBondContact CZ-ND2 3.25Å; F673-N677 WeakPolarHBondContact O-CB 3.48Å; F673-N677 PolarHBondContact O-N 3.36Å; F673-N677 PolarHBondContact O-ND2 2.87Å
674E88.4Confident91.2Very high83 Ų8392.5 Ų92.539%0.38845%0.454SS..Hα-helixtrans-64.1-41.6172-76.2177.1-173.600111.7S670 Q672 N677 N678S670-E674 WeakPolarHBondContact O-CG 3.39Å; S670-E674 PolarHBondContact O-N 2.81Å; Q672-E674 PolarHBondContact O-N 3.05Å; E674-N677 PolarHBondContact O-N 3.13Å; E674-N678 WeakPolarHBondContact O-CB 3.42Å; E674-N678 VanDerWaalsContact O-CG 3.26Å; E674-N678 PolarHBondContact O-N 3.03Å; E674-N678 PolarHBondContact O-ND2 3.06Å; E674-N678 VanDerWaalsContact O-ND2 3.11Å
675L92Very high91.4Very high109 Ų10989.6 Ų89.657%0.57144%0.444SS*.Hα-helixtrans-64.1-43.8175.5-174144.2000111.7L671 Q672 N678 T679L671-L675 WeakPolarHBondContact O-CB 3.34Å; L671-L675 PolarHBondContact O-N 3.35Å; Q672-L675 WeakPolarHBondContact O-CB 3.4Å; Q672-L675 PolarHBondContact O-N 3.08Å; L675-N678 PolarHBondContact O-N 3.04Å; L675-T679 HydrophobicContact CD2-CG2 4.15Å; L675-T679 WeakPolarHBondContact O-CG2 3.26Å; L675-T679 PolarHBondContact O-N 3.11Å; L675-T679 PolarHBondContact O-OG1 3.14Å
676E93.8Very high91.5Very high90 Ų9087 Ų8742%0.42144%0.436SS..Hα-helixtrans-64.1-38.9176-74171.6-172.600112.6Q672 F673 T679 T680Q672-E676 HydrophobicContact CG-CG 4.43Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.28Å; Q672-E676 PolarHBondContact NE2-OE1 3.3Å; Q672-E676 WeakPolarHBondContact O-CB 3.44Å; Q672-E676 WeakPolarHBondContact O-CG 3.01Å; Q672-E676 PolarHBondContact O-N 2.86Å; F673-E676 PolarHBondContact O-N 3.12Å; E676-T679 WeakPolarHBondContact CA-OG1 3.46Å; E676-T679 PolarHBondContact O-OG1 3.29Å; E676-T679 VanDerWaalsContact O-OG1 3.1Å; E676-T680 WeakPolarHBondContact O-CB 3.41Å; E676-T680 VanDerWaalsContact O-CG2 3.3Å; E676-T680 WeakPolarHBondContact O-CG2 3.36Å; E676-T680 PolarHBondContact O-N 2.82Å; E676-T680 PolarHBondContact O-OG1 2.83Å
677N89.2Confident91.6Very high55 Ų5588.7 Ų88.729%0.29445%0.446SS..Hα-helixtrans-66.6-36.7173-79.8-60.3000112.5F673 E674 T680 R681F673-N677 VanDerWaalsContact CD1-ND2 3.26Å; F673-N677 WeakPolarHBondContact CD1-ND2 3.35Å; F673-N677 WeakPolarHBondContact CE1-ND2 3.15Å; F673-N677 WeakPolarHBondContact CZ-ND2 3.25Å; F673-N677 WeakPolarHBondContact O-CB 3.48Å; F673-N677 PolarHBondContact O-N 3.36Å; F673-N677 PolarHBondContact O-ND2 2.87Å; E674-N677 PolarHBondContact O-N 3.13Å; N677-T680 WeakPolarHBondContact CA-OG1 3.23Å; N677-T680 PolarHBondContact O-OG1 3.28Å; N677-T680 VanDerWaalsContact O-OG1 3.08Å; N677-R681 WeakPolarHBondContact O-CB 3.41Å; N677-R681 VanDerWaalsContact O-CG 3.28Å; N677-R681 WeakPolarHBondContact O-CG 3.29Å; N677-R681 PolarHBondContact O-N 3.1Å; N677-R681 VanDerWaalsContact O-N 3.14Å
678N90.9Very high91.8Very high98 Ų9885.1 Ų85.152%0.52444%0.44SS..Hα-helixtrans-73.4-39.4177.9-72.1-31.6000111.9E674 L675 A682E674-N678 WeakPolarHBondContact O-CB 3.42Å; E674-N678 VanDerWaalsContact O-CG 3.26Å; E674-N678 PolarHBondContact O-N 3.03Å; E674-N678 PolarHBondContact O-ND2 3.06Å; E674-N678 VanDerWaalsContact O-ND2 3.11Å; L675-N678 PolarHBondContact O-N 3.04Å; N678-A682 WeakPolarHBondContact O-CB 3.43Å; N678-A682 PolarHBondContact O-N 3.45Å
679T94.3Very high91.9Very high69 Ų6983.8 Ų83.842%0.42343%0.433SS..Hα-helixtrans-68.4-41.2175.355.90000111.8L675 E676 A682 V683L675-T679 HydrophobicContact CD2-CG2 4.15Å; L675-T679 WeakPolarHBondContact O-CG2 3.26Å; L675-T679 PolarHBondContact O-N 3.11Å; L675-T679 PolarHBondContact O-OG1 3.14Å; E676-T679 WeakPolarHBondContact CA-OG1 3.46Å; E676-T679 PolarHBondContact O-OG1 3.29Å; E676-T679 VanDerWaalsContact O-OG1 3.1Å; T679-A682 PolarHBondContact O-N 3.43Å; T679-V683 WeakPolarHBondContact O-CB 3.27Å; T679-V683 VanDerWaalsContact O-CG2 3.29Å; T679-V683 WeakPolarHBondContact O-CG2 3.21Å; T679-V683 PolarHBondContact O-N 2.77Å
680T94.3Very high92.2Very high70 Ų7086.3 Ų86.343%0.42944%0.441SS..Hα-helixtrans-63.8-40.4176.348.10000112.6E676 N677 V683 Q684E676-T680 WeakPolarHBondContact O-CB 3.41Å; E676-T680 VanDerWaalsContact O-CG2 3.3Å; E676-T680 WeakPolarHBondContact O-CG2 3.36Å; E676-T680 PolarHBondContact O-N 2.82Å; E676-T680 PolarHBondContact O-OG1 2.83Å; N677-T680 WeakPolarHBondContact CA-OG1 3.23Å; N677-T680 PolarHBondContact O-OG1 3.28Å; N677-T680 VanDerWaalsContact O-OG1 3.08Å; T680-V683 PolarHBondContact O-N 2.7Å; T680-Q684 VanDerWaalsContact O-CG 3.31Å; T680-Q684 WeakPolarHBondContact O-CG 3.35Å; T680-Q684 PolarHBondContact O-N 2.78Å
681R91.5Very high92.4Very high151 Ų15192.2 Ų92.257%0.5747%0.469SS*.Hα-helixtrans-61.6-49171.3-74.2174.8-172.3174.24.5112.2N677 V683 Q684 E685N677-R681 WeakPolarHBondContact O-CB 3.41Å; N677-R681 VanDerWaalsContact O-CG 3.28Å; N677-R681 WeakPolarHBondContact O-CG 3.29Å; N677-R681 PolarHBondContact O-N 3.1Å; N677-R681 VanDerWaalsContact O-N 3.14Å; R681-V683 VanDerWaalsContact C-N 3.27Å; R681-V683 PolarHBondContact O-N 3.4Å; R681-Q684 WeakPolarHBondContact O-CB 3.26Å; R681-Q684 PolarHBondContact O-N 3.34Å; R681-Q684 VanDerWaalsContact O-N 3.1Å; R681-E685 WeakPolarHBondContact O-CG 3.49Å; R681-E685 PolarHBondContact O-N 2.98Å
682A91.7Very high92.6Very high53 Ų5391.3 Ų91.344%0.43846%0.462SS..Hα-helixtrans-60.7-36.3178.700000112.5N678 T679 L686N678-A682 WeakPolarHBondContact O-CB 3.43Å; N678-A682 PolarHBondContact O-N 3.45Å; T679-A682 PolarHBondContact O-N 3.43Å; A682-L686 VanDerWaalsContact O-CB 3.23Å; A682-L686 WeakPolarHBondContact O-CB 3.42Å; A682-L686 PolarHBondContact O-N 3.25Å
683V95.1Very high92.7Very high75 Ų7591 Ų9146%0.45546%0.462SS..Hα-helixtrans-70.2-38.4174.1169.70000111.9T679 T680 R681 L686 N687T679-V683 WeakPolarHBondContact O-CB 3.27Å; T679-V683 VanDerWaalsContact O-CG2 3.29Å; T679-V683 WeakPolarHBondContact O-CG2 3.21Å; T679-V683 PolarHBondContact O-N 2.77Å; T680-V683 PolarHBondContact O-N 2.7Å; R681-V683 VanDerWaalsContact C-N 3.27Å; R681-V683 PolarHBondContact O-N 3.4Å; V683-L686 PolarHBondContact O-N 2.69Å; V683-N687 WeakPolarHBondContact O-CB 3.45Å; V683-N687 PolarHBondContact O-N 3.05Å; V683-N687 PolarHBondContact O-ND2 2.79Å
684Q92.8Very high92.8Very high132 Ų13292.7 Ų92.762%0.61748%0.475SS*.Hα-helixtrans-64-44.8173.8-74.8171.83.600111.8T680 R681 N687 S688T680-Q684 VanDerWaalsContact O-CG 3.31Å; T680-Q684 WeakPolarHBondContact O-CG 3.35Å; T680-Q684 PolarHBondContact O-N 2.78Å; R681-Q684 WeakPolarHBondContact O-CB 3.26Å; R681-Q684 PolarHBondContact O-N 3.34Å; R681-Q684 VanDerWaalsContact O-N 3.1Å; Q684-N687 PolarHBondContact O-N 2.67Å; Q684-S688 WeakPolarHBondContact O-CB 3.23Å; Q684-S688 PolarHBondContact O-N 2.79Å
685E92.4Very high93.1Very high126 Ų12692.3 Ų92.359%0.58948%0.475SS*.Hα-helixtrans-60-49.1174.1-72.2173.1-174.200110.9R681 N687 S688 L689R681-E685 WeakPolarHBondContact O-CG 3.49Å; R681-E685 PolarHBondContact O-N 2.98Å; E685-N687 PolarHBondContact O-N 3.36Å; E685-S688 PolarHBondContact O-N 3.01Å; E685-S688 PolarHBondContact O-OG 3.17Å; E685-L689 WeakPolarHBondContact O-CG 3.45Å; E685-L689 PolarHBondContact O-N 3.23Å
686L94.5Very high93.1Very high91 Ų9189.7 Ų89.748%0.47647%0.469SS..Hα-helixtrans-55.3-47.6176-170.986.9000112.2A682 V683 L689 F690A682-L686 VanDerWaalsContact O-CB 3.23Å; A682-L686 WeakPolarHBondContact O-CB 3.42Å; A682-L686 PolarHBondContact O-N 3.25Å; V683-L686 PolarHBondContact O-N 2.69Å; L686-L689 PolarHBondContact O-N 2.94Å; L686-F690 HydrophobicContact CD1-CE2 4.19Å; L686-F690 HydrophobicContact CD2-CD2 4.45Å; L686-F690 HydrophobicContact CD2-CE2 3.92Å; L686-F690 HydrophobicContact CG-CD2 4.01Å; L686-F690 HydrophobicContact CG-CE2 3.72Å; L686-F690 VanDerWaalsContact O-CD2 3.26Å; L686-F690 WeakPolarHBondContact O-CD2 3.46Å; L686-F690 PolarHBondContact O-N 3.15Å
687N93.5Very high93.2Very high84 Ų8489 Ų8945%0.44947%0.474SS..Hα-helixtrans-63.6-43.3178.3-70.9-12.6000111.5V683 Q684 E685 L689 F690 E691V683-N687 WeakPolarHBondContact O-CB 3.45Å; V683-N687 PolarHBondContact O-N 3.05Å; V683-N687 PolarHBondContact O-ND2 2.79Å; Q684-N687 PolarHBondContact O-N 2.67Å; E685-N687 PolarHBondContact O-N 3.36Å; N687-L689 VanDerWaalsContact C-N 3.26Å; N687-L689 PolarHBondContact O-N 2.86Å; N687-F690 PolarHBondContact O-N 2.8Å; N687-F690 VanDerWaalsContact O-N 3.17Å; N687-E691 PolarHBondContact O-N 3.15Å
688S91.5Very high93.4Very high45 Ų4592.8 Ų92.832%0.31549%0.492SS..Hα-helixtrans-62.7-32.9176.578.40000112.7Q684 E685 Q692Q684-S688 WeakPolarHBondContact O-CB 3.23Å; Q684-S688 PolarHBondContact O-N 2.79Å; E685-S688 PolarHBondContact O-N 3.01Å; E685-S688 PolarHBondContact O-OG 3.17Å; S688-Q692 WeakPolarHBondContact O-CB 3.46Å; S688-Q692 VanDerWaalsContact O-CG 3.23Å; S688-Q692 WeakPolarHBondContact O-CG 3.25Å; S688-Q692 PolarHBondContact O-N 2.84Å
689L92.6Very high93.5Very high92 Ų9290.7 Ų90.748%0.48248%0.479SS..Hα-helixtrans-72.8-37.7174.7-71.3169.8000111.7E685 L686 N687 Q692 I693E685-L689 WeakPolarHBondContact O-CG 3.45Å; E685-L689 PolarHBondContact O-N 3.23Å; L686-L689 PolarHBondContact O-N 2.94Å; N687-L689 VanDerWaalsContact C-N 3.26Å; N687-L689 PolarHBondContact O-N 2.86Å; L689-Q692 PolarHBondContact O-N 2.99Å; L689-I693 WeakPolarHBondContact O-CB 3.47Å; L689-I693 WeakPolarHBondContact O-CD1 3.37Å; L689-I693 WeakPolarHBondContact O-CG1 3.43Å; L689-I693 PolarHBondContact O-N 2.92Å
690F95.4Very high93.5Very high112 Ų11293.2 Ų93.249%0.49149%0.486SS..Hα-helixtrans-62.3-47171.5-82.3-63.7000111.8L686 N687 Q692 I693 D694L686-F690 HydrophobicContact CD1-CE2 4.19Å; L686-F690 HydrophobicContact CD2-CD2 4.45Å; L686-F690 HydrophobicContact CD2-CE2 3.92Å; L686-F690 HydrophobicContact CG-CD2 4.01Å; L686-F690 HydrophobicContact CG-CE2 3.72Å; L686-F690 VanDerWaalsContact O-CD2 3.26Å; L686-F690 WeakPolarHBondContact O-CD2 3.46Å; L686-F690 PolarHBondContact O-N 3.15Å; N687-F690 PolarHBondContact O-N 2.8Å; N687-F690 VanDerWaalsContact O-N 3.17Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.48Å; F690-I693 PolarHBondContact O-N 3.35Å; F690-I693 VanDerWaalsContact O-N 3.13Å; F690-D694 PolarHBondContact O-N 3.46Å
691E93.2Very high93.6Very high128 Ų12892.6 Ų92.660%0.59849%0.487SS*.Hα-helixtrans-57.9-41.5174.7-71.7176.6-173.600112.1N687 L695N687-E691 PolarHBondContact O-N 3.15Å; E691-L695 VanDerWaalsContact O-CB 3.25Å; E691-L695 WeakPolarHBondContact O-CB 3.48Å; E691-L695 WeakPolarHBondContact O-CG 3.36Å; E691-L695 PolarHBondContact O-N 2.88Å
692Q94Very high93.6Very high75 Ų7587.8 Ų87.835%0.3548%0.48SS..Hα-helixtrans-65.7-39.1175.3-74.7171.937.900112.8S688 L689 F690 A696S688-Q692 WeakPolarHBondContact O-CB 3.46Å; S688-Q692 VanDerWaalsContact O-CG 3.23Å; S688-Q692 WeakPolarHBondContact O-CG 3.25Å; S688-Q692 PolarHBondContact O-N 2.84Å; L689-Q692 PolarHBondContact O-N 2.99Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.48Å; Q692-A696 VanDerWaalsContact O-CB 3.25Å; Q692-A696 WeakPolarHBondContact O-CB 3.41Å; Q692-A696 PolarHBondContact O-N 2.82Å
693I94.5Very high93.8Very high105 Ų10590.4 Ų90.454%0.53848%0.482SS..Hα-helixtrans-66.2-44.6177-73.1164.2000110.7L689 F690 A696 S697L689-I693 WeakPolarHBondContact O-CB 3.47Å; L689-I693 WeakPolarHBondContact O-CD1 3.37Å; L689-I693 WeakPolarHBondContact O-CG1 3.43Å; L689-I693 PolarHBondContact O-N 2.92Å; F690-I693 PolarHBondContact O-N 3.35Å; F690-I693 VanDerWaalsContact O-N 3.13Å; I693-A696 PolarHBondContact O-N 2.97Å; I693-S697 VanDerWaalsContact O-CB 3.29Å; I693-S697 WeakPolarHBondContact O-CB 3.42Å; I693-S697 PolarHBondContact O-N 2.96Å
694D93.8Very high93.7Very high103 Ų10387.4 Ų87.455%0.55147%0.465SS*.Hα-helixtrans-64.6-44.4177-75-18.4000111.1F690 A696 S697 M698F690-D694 PolarHBondContact O-N 3.46Å; D694-A696 VanDerWaalsContact C-N 3.34Å; D694-A696 PolarHBondContact O-N 2.97Å; D694-S697 WeakPolarHBondContact O-CB 3.25Å; D694-S697 PolarHBondContact O-N 2.88Å; D694-M698 WeakPolarHBondContact O-CB 3.49Å; D694-M698 WeakPolarHBondContact O-CG 3.47Å; D694-M698 PolarHBondContact O-N 3.26Å
695L93.2Very high93.8Very high76 Ų7686.5 Ų86.540%0.39846%0.46SS..Hα-helixtrans-60.8-39.3174.7-79.5172.3000113E691 E699E691-L695 VanDerWaalsContact O-CB 3.25Å; E691-L695 WeakPolarHBondContact O-CB 3.48Å; E691-L695 WeakPolarHBondContact O-CG 3.36Å; E691-L695 PolarHBondContact O-N 2.88Å; L695-E699 WeakPolarHBondContact O-CB 3.26Å; L695-E699 PolarHBondContact O-N 3.47Å
696A93.7Very high93.9Very high53 Ų5384.7 Ų84.744%0.43845%0.454SS..Hα-helixtrans-72.6-34176.200000112.2Q692 I693 D694 E699 H700Q692-A696 VanDerWaalsContact O-CB 3.25Å; Q692-A696 WeakPolarHBondContact O-CB 3.41Å; Q692-A696 PolarHBondContact O-N 2.82Å; I693-A696 PolarHBondContact O-N 2.97Å; D694-A696 VanDerWaalsContact C-N 3.34Å; D694-A696 PolarHBondContact O-N 2.97Å; A696-E699 PolarHBondContact O-N 2.96Å; A696-H700 VanDerWaalsContact O-CB 3.31Å; A696-H700 WeakPolarHBondContact O-CB 3.34Å; A696-H700 PolarHBondContact O-N 3.07Å
697S95.6Very high93.8Very high77 Ų7783.8 Ų83.854%0.53845%0.448SS..Hα-helixtrans-66.5-45.1174.2-1740000111.4I693 D694 H700 A701I693-S697 VanDerWaalsContact O-CB 3.29Å; I693-S697 WeakPolarHBondContact O-CB 3.42Å; I693-S697 PolarHBondContact O-N 2.96Å; D694-S697 WeakPolarHBondContact O-CB 3.25Å; D694-S697 PolarHBondContact O-N 2.88Å; S697-H700 PolarHBondContact O-N 2.95Å; S697-A701 WeakPolarHBondContact O-CB 3.45Å; S697-A701 PolarHBondContact O-N 2.9Å
698M92.4Very high93.9Very high134 Ų13484 Ų8466%0.6645%0.445SS*.Hα-helixtrans-60.5-44.1172.4-73179.866.800111.9D694 A701 A702D694-M698 WeakPolarHBondContact O-CB 3.49Å; D694-M698 WeakPolarHBondContact O-CG 3.47Å; D694-M698 PolarHBondContact O-N 3.26Å; M698-A701 PolarHBondContact O-N 2.82Å; M698-A702 VanDerWaalsContact O-CB 3.29Å; M698-A702 WeakPolarHBondContact O-CB 3.39Å; M698-A702 PolarHBondContact O-N 3.02Å
699E93.6Very high94Very high54 Ų5487.3 Ų87.325%0.25246%0.455SS..Hα-helixtrans-64.8-43.1175.5-89.4175.3166.600112.8K440 L695 A696 A701 A702 F703K440-E699 WeakPolarHBondContact CG-OE1 3.47Å; K440-E699 IonicContact NZ-OE1 3.57Å; K440-E699 PolarHBondContact NZ-OE1 3.01Å; K440-E699 IonicContact NZ-OE2 2.77Å; K440-E699 PolarHBondContact NZ-OE2 3.2Å; L695-E699 WeakPolarHBondContact O-CB 3.26Å; L695-E699 PolarHBondContact O-N 3.47Å; A696-E699 PolarHBondContact O-N 2.96Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.67Å; E699-A702 PolarHBondContact O-N 3.45Å; E699-F703 HydrophobicContact CB-CD2 4.03Å; E699-F703 HydrophobicContact CB-CE2 3.82Å; E699-F703 HydrophobicContact CG-CE2 4Å; E699-F703 VanDerWaalsContact O-CB 3.3Å; E699-F703 WeakPolarHBondContact O-CB 3.4Å; E699-F703 WeakPolarHBondContact O-CD2 3.27Å; E699-F703 WeakPolarHBondContact O-CG 3.21Å; E699-F703 PolarHBondContact O-N 2.96Å
700H95.2Very high94.1Very high122 Ų12287.3 Ų87.357%0.56545%0.452SS*.Hα-helixtrans-58.9-44.8175.1179.7-80000111.1A696 S697 A704A696-H700 VanDerWaalsContact O-CB 3.31Å; A696-H700 WeakPolarHBondContact O-CB 3.34Å; A696-H700 PolarHBondContact O-N 3.07Å; S697-H700 PolarHBondContact O-N 2.95Å; H700-A704 VanDerWaalsContact O-CB 3.24Å; H700-A704 WeakPolarHBondContact O-CB 3.49Å; H700-A704 PolarHBondContact O-N 3.16Å
701A94.6Very high94Very high56 Ų5684.3 Ų84.346%0.46344%0.441SS..Hα-helixtrans-64.7-41.9176.100000112.7S697 M698 E699 H705S697-A701 WeakPolarHBondContact O-CB 3.45Å; S697-A701 PolarHBondContact O-N 2.9Å; M698-A701 PolarHBondContact O-N 2.82Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.67Å; A701-H705 PolarHBondContact O-N 3.47Å
702A92.8Very high94Very high51 Ų5183.8 Ų83.842%0.42144%0.442SS..Hα-helixtrans-68.8-43.7178.300000112.3M698 E699 H705 L706M698-A702 VanDerWaalsContact O-CB 3.29Å; M698-A702 WeakPolarHBondContact O-CB 3.39Å; M698-A702 PolarHBondContact O-N 3.02Å; E699-A702 PolarHBondContact O-N 3.45Å; A702-H705 PolarHBondContact O-N 3.34Å; A702-L706 WeakPolarHBondContact O-CB 3.19Å; A702-L706 WeakPolarHBondContact O-CG 3.46Å; A702-L706 PolarHBondContact O-N 3.24Å
703F95.1Very high94Very high108 Ų10882.2 Ų82.247%0.47444%0.441SS..Hα-helixtrans-65.7-39.2176.2-71.7-47.5000111.6L443 E699 L706 E707L443-F703 HydrophobicContact CD1-CZ 4.31Å; E699-F703 HydrophobicContact CB-CD2 4.03Å; E699-F703 HydrophobicContact CB-CE2 3.82Å; E699-F703 HydrophobicContact CG-CE2 4Å; E699-F703 VanDerWaalsContact O-CB 3.3Å; E699-F703 WeakPolarHBondContact O-CB 3.4Å; E699-F703 WeakPolarHBondContact O-CD2 3.27Å; E699-F703 WeakPolarHBondContact O-CG 3.21Å; E699-F703 PolarHBondContact O-N 2.96Å; F703-L706 HydrophobicContact CD1-CD1 4.18Å; F703-L706 PolarHBondContact O-N 2.96Å; F703-E707 WeakPolarHBondContact O-CB 3.29Å; F703-E707 PolarHBondContact O-N 3.03Å
704A94.1Very high93.9Very high11 Ų1180.9 Ų80.99%0.09143%0.434CS..Hα-helixtrans-63.4-41.8172.100000111.2F225 H700 L706 E707 K708F225-A704 HydrophobicContact CB-CB 4.17Å; F225-A704 WeakPolarHBondContact CB-O 3.3Å; F225-A704 VanDerWaalsContact CD1-O 3.31Å; F225-A704 WeakPolarHBondContact CD1-O 3.27Å; F225-A704 HydrophobicContact CD2-CB 3.43Å; F225-A704 VanDerWaalsContact CD2-CB 3.43Å; F225-A704 HydrophobicContact CE2-CB 3.86Å; F225-A704 VanDerWaalsContact CG-C 3.47Å; F225-A704 HydrophobicContact CG-CB 3.86Å; F225-A704 WeakPolarHBondContact CG-O 3.41Å; H700-A704 VanDerWaalsContact O-CB 3.24Å; H700-A704 WeakPolarHBondContact O-CB 3.49Å; H700-A704 PolarHBondContact O-N 3.16Å; A704-L706 PolarHBondContact O-N 3.34Å; A704-E707 WeakPolarHBondContact O-CB 3.5Å; A704-E707 PolarHBondContact O-N 2.94Å; A704-K708 PolarHBondContact O-N 3.38Å; A704-K708 VanDerWaalsContact O-N 3.16Å
705H93.2Very high93.9Very high114 Ų11478.2 Ų78.253%0.52843%0.427SS..Hα-helixtrans-62.7-42.9173.3-168-57.9000112.8F225 A701 A702 E707 K708 Q709F225-H705 HydrophobicContact CD1-CB 4.49Å; F225-H705 HydrophobicContact CE1-CB 4.27Å; A701-H705 PolarHBondContact O-N 3.47Å; A702-H705 PolarHBondContact O-N 3.34Å; H705-E707 VanDerWaalsContact C-N 3.33Å; H705-K708 PolarHBondContact O-N 2.94Å; H705-Q709 PolarHBondContact O-N 3.32Å
706L94.9Very high93.9Very high87 Ų8780.1 Ų80.146%0.45543%0.433SS..Hα-helixtrans-63.4-39.1176.7-76.4166.1000111.9A702 F703 A704 Q709 E710A702-L706 WeakPolarHBondContact O-CB 3.19Å; A702-L706 WeakPolarHBondContact O-CG 3.46Å; A702-L706 PolarHBondContact O-N 3.24Å; F703-L706 HydrophobicContact CD1-CD1 4.18Å; F703-L706 PolarHBondContact O-N 2.96Å; A704-L706 PolarHBondContact O-N 3.34Å; L706-Q709 PolarHBondContact O-N 3Å; L706-E710 WeakPolarHBondContact O-CG 3.24Å; L706-E710 PolarHBondContact O-N 3.43Å
707E93.9Very high94Very high73 Ų7385.7 Ų85.734%0.34144%0.443SS..Hα-helixtrans-44.7-65.2166.5-113.8-158.6173.600109.3F225 H226 F703 A704 H705 Q709 E710 D711F225-E707 HydrophobicContact CB-CB 4.3Å; F225-E707 PolarHBondContact N-OE2 3.21Å; H226-E707 WeakPolarHBondContact CD2-CB 3.38Å; H226-E707 VanDerWaalsContact CD2-CD 3.5Å; H226-E707 WeakPolarHBondContact CD2-CG 3.44Å; H226-E707 PolarHBondContact CD2-O 2.82Å; H226-E707 VanDerWaalsContact CD2-O 3.26Å; H226-E707 IonicContact CD2-OE2 2.66Å; H226-E707 IonicContact CG-OE1 3.51Å; H226-E707 IonicContact CG-OE2 3.94Å; H226-E707 PolarHBondContact N-OE2 2.99Å; H226-E707 IonicContact ND1-OE1 3.55Å; H226-E707 WeakPolarHBondContact NE2-CA 3.25Å; H226-E707 PolarHBondContact NE2-O 3.2Å; F703-E707 WeakPolarHBondContact O-CB 3.29Å; F703-E707 PolarHBondContact O-N 3.03Å; A704-E707 WeakPolarHBondContact O-CB 3.5Å; A704-E707 PolarHBondContact O-N 2.94Å; H705-E707 VanDerWaalsContact C-N 3.33Å; E707-Q709 PolarHBondContact O-N 3.2Å; E707-E710 PolarHBondContact O-N 3.37Å; E707-D711 PolarHBondContact O-N 2.91Å; E707-D711 VanDerWaalsContact O-N 3.11Å
708K93.8Very high94Very high89 Ų8987.2 Ų87.239%0.38745%0.445SS..Hα-helixtrans-52.9-36-175.7-146.8159.8-95.4161.80112.7F225 A704 H705 I712F225-K708 HydrophobicContact CB-CB 3.89Å; F225-K708 HydrophobicContact CB-CD 4.23Å; F225-K708 VanDerWaalsContact CB-CE 3.44Å; F225-K708 HydrophobicContact CB-CG 4.31Å; F225-K708 HydrophobicContact CD1-CB 3.89Å; F225-K708 HydrophobicContact CD1-CD 3.62Å; F225-K708 HydrophobicContact CD1-CG 4.3Å; F225-K708 HydrophobicContact CE1-CD 4.42Å; F225-K708 HydrophobicContact CG-CB 4.38Å; F225-K708 HydrophobicContact CG-CD 4.22Å; F225-K708 VanDerWaalsContact CG-NZ 3.27Å; F225-K708 WeakPolarHBondContact O-CE 3.34Å; A704-K708 PolarHBondContact O-N 3.38Å; A704-K708 VanDerWaalsContact O-N 3.16Å; H705-K708 PolarHBondContact O-N 2.94Å; K708-I712 VanDerWaalsContact O-CD1 3.32Å; K708-I712 WeakPolarHBondContact O-CD1 3.45Å; K708-I712 VanDerWaalsContact O-CG1 3.24Å; K708-I712 WeakPolarHBondContact O-CG1 3.34Å; K708-I712 PolarHBondContact O-N 3.03Å
709Q94.5Very high94Very high114 Ų11488.8 Ų88.853%0.53344%0.443SS..Hα-helixtrans-73.9-38.5-178.3-172.9173.7-8.600112.3H705 L706 E707 A713H705-Q709 PolarHBondContact O-N 3.32Å; L706-Q709 PolarHBondContact O-N 3Å; E707-Q709 PolarHBondContact O-N 3.2Å; Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.87Å
710E94Very high94.1Very high91 Ų9189.1 Ų89.143%0.42545%0.449SS..Hα-helixtrans-67.7-41.1175.3-71.1-70.8-178.800111.8L706 E707 I712 A713 I714L706-E710 WeakPolarHBondContact O-CG 3.24Å; L706-E710 PolarHBondContact O-N 3.43Å; E707-E710 PolarHBondContact O-N 3.37Å; E710-I712 VanDerWaalsContact C-N 3.34Å; E710-I712 PolarHBondContact O-N 3.32Å; E710-A713 CarbonylContact O-C 3.07Å; E710-A713 WeakPolarHBondContact O-CB 3.44Å; E710-A713 PolarHBondContact O-N 3.4Å; E710-A713 VanDerWaalsContact O-N 3.1Å; E710-I714 WeakPolarHBondContact O-CB 3.33Å; E710-I714 VanDerWaalsContact O-CG1 3.25Å; E710-I714 WeakPolarHBondContact O-CG1 3.31Å; E710-I714 PolarHBondContact O-N 3.2Å
711D93.8Very high94.2Very high49 Ų4988 Ų8826%0.26245%0.446SS..Hα-helixtrans-56.7-48.1175-90.31.7000111.7H226 D227 E707 A713 I714 A715H226-D711 VanDerWaalsContact CA-OD2 3.29Å; H226-D711 WeakPolarHBondContact CA-OD2 3.15Å; H226-D711 WeakPolarHBondContact CB-OD2 3.32Å; H226-D711 IonicContact CD2-OD1 3.46Å; H226-D711 IonicContact CD2-OD2 3.38Å; H226-D711 PolarHBondContact CD2-OD2 3.3Å; H226-D711 IonicContact CE1-OD1 3.97Å; H226-D711 PolarHBondContact CE1-OD1 3.24Å; H226-D711 IonicContact CG-OD1 3.99Å; H226-D711 IonicContact CG-OD2 3.66Å; H226-D711 VanDerWaalsContact CG-OD2 3.23Å; H226-D711 IonicContact ND1-OD1 2.91Å; H226-D711 PolarHBondContact ND1-OD1 3.11Å; H226-D711 IonicContact ND1-OD2 2.72Å; H226-D711 PolarHBondContact NE2-N 2.83Å; H226-D711 IonicContact NE2-OD1 2.74Å; H226-D711 PolarHBondContact NE2-OD1 2.98Å; H226-D711 VanDerWaalsContact NE2-OD1 3.1Å; H226-D711 IonicContact NE2-OD2 2.73Å; D227-D711 PolarHBondContact N-OD2 2.93Å; E707-D711 PolarHBondContact O-N 2.91Å; E707-D711 VanDerWaalsContact O-N 3.11Å; D711-A713 VanDerWaalsContact C-N 3.31Å; D711-A713 PolarHBondContact O-N 2.87Å; D711-I714 PolarHBondContact O-N 3.32Å; D711-A715 WeakPolarHBondContact O-CB 3.29Å; D711-A715 PolarHBondContact O-N 3.24Å
712I92.8Very high94.2Very high118 Ų11888.2 Ų88.261%0.60545%0.445SS*.Hα-helixtrans-61.8-40.8176.9-66.3166.8000110.6K708 E710 H716K708-I712 VanDerWaalsContact O-CD1 3.32Å; K708-I712 WeakPolarHBondContact O-CD1 3.45Å; K708-I712 VanDerWaalsContact O-CG1 3.24Å; K708-I712 WeakPolarHBondContact O-CG1 3.34Å; K708-I712 PolarHBondContact O-N 3.03Å; E710-I712 VanDerWaalsContact C-N 3.34Å; E710-I712 PolarHBondContact O-N 3.32Å; I712-H716 WeakPolarHBondContact O-CB 3.43Å; I712-H716 PolarHBondContact O-N 3.18Å
713A94.3Very high94.4Very high41 Ų4188.2 Ų88.234%0.33944%0.442SS..Hα-helixtrans-67.6-41.1178.900000112.6Q709 E710 D711 H716 R717Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.87Å; E710-A713 CarbonylContact O-C 3.07Å; E710-A713 WeakPolarHBondContact O-CB 3.44Å; E710-A713 PolarHBondContact O-N 3.4Å; E710-A713 VanDerWaalsContact O-N 3.1Å; D711-A713 VanDerWaalsContact C-N 3.31Å; D711-A713 PolarHBondContact O-N 2.87Å; A713-H716 PolarHBondContact O-N 3.06Å; A713-R717 VanDerWaalsContact O-CB 3.29Å; A713-R717 WeakPolarHBondContact O-CB 3.28Å; A713-R717 PolarHBondContact O-N 3.01Å
714I92.6Very high94.4Very high77 Ų7785.9 Ų85.940%0.39543%0.434SS..Hα-helixtrans-63.8-51176.2-69.4163.5000109.9E710 D711 H716 R717 L718E710-I714 WeakPolarHBondContact O-CB 3.33Å; E710-I714 VanDerWaalsContact O-CG1 3.25Å; E710-I714 WeakPolarHBondContact O-CG1 3.31Å; E710-I714 PolarHBondContact O-N 3.2Å; D711-I714 PolarHBondContact O-N 3.32Å; I714-H716 VanDerWaalsContact C-N 3.31Å; I714-H716 PolarHBondContact O-N 2.76Å; I714-R717 PolarHBondContact O-N 2.92Å; I714-L718 HydrophobicContact CG2-CD1 3.92Å; I714-L718 HydrophobicContact CG2-CG 4.39Å; I714-L718 WeakPolarHBondContact O-CG 3.43Å; I714-L718 PolarHBondContact O-N 3.28Å
715A93.3Very high94.5Very high47 Ų4788.8 Ų88.839%0.38845%0.451SS..Hα-helixtrans-61.1-38.3179.100000112.4D711 R719D711-A715 WeakPolarHBondContact O-CB 3.29Å; D711-A715 PolarHBondContact O-N 3.24Å; A715-R719 WeakPolarHBondContact O-CB 3.43Å; A715-R719 PolarHBondContact O-N 2.79Å; A715-R719 VanDerWaalsContact O-N 3.16Å
716H93.5Very high94.6Very high117 Ų11788.8 Ų88.854%0.54245%0.451SS..Hα-helixtrans-65-49.8173-176.9-88.8000111.7I712 A713 I714 L718 R719 T720I712-H716 WeakPolarHBondContact O-CB 3.43Å; I712-H716 PolarHBondContact O-N 3.18Å; A713-H716 PolarHBondContact O-N 3.06Å; I714-H716 VanDerWaalsContact C-N 3.31Å; I714-H716 PolarHBondContact O-N 2.76Å; H716-L718 PolarHBondContact O-N 3.24Å; H716-R719 PolarHBondContact O-N 2.69Å; H716-T720 PolarHBondContact O-N 3.28Å; H716-T720 PolarHBondContact O-OG1 3.49Å
717R95.8Very high94.6Very high169 Ų16992.3 Ų92.364%0.63846%0.458SS*.Hα-helixtrans-59.4-45-179.4-175.1178.9-70.1165.60.7112A713 I714 T720 L721A713-R717 VanDerWaalsContact O-CB 3.29Å; A713-R717 WeakPolarHBondContact O-CB 3.28Å; A713-R717 PolarHBondContact O-N 3.01Å; I714-R717 PolarHBondContact O-N 2.92Å; R717-T720 PolarHBondContact O-N 3.3Å; R717-L721 HydrophobicContact CG-CD1 4.05Å; R717-L721 WeakPolarHBondContact O-CB 3.5Å; R717-L721 WeakPolarHBondContact O-CG 3.41Å; R717-L721 PolarHBondContact O-N 3.44Å
718L94.7Very high94.7Very high109 Ų10995.3 Ų95.357%0.57147%0.472SS*.Hα-helixtrans-63.7-40.2176.7-71.4175.9000112.3I714 H716 S722I714-L718 HydrophobicContact CG2-CD1 3.92Å; I714-L718 HydrophobicContact CG2-CG 4.39Å; I714-L718 WeakPolarHBondContact O-CG 3.43Å; I714-L718 PolarHBondContact O-N 3.28Å; H716-L718 PolarHBondContact O-N 3.24Å; L718-S722 VanDerWaalsContact O-CB 3.25Å; L718-S722 WeakPolarHBondContact O-CB 3.5Å; L718-S722 PolarHBondContact O-N 2.96Å
719R94.2Very high94.8Very high168 Ų16895.4 Ų95.463%0.63447%0.474SS*.Hα-helixtrans-64.3-44.1177.2-170.6-176.8-61.5109.82112A715 H716 S722 S723A715-R719 WeakPolarHBondContact O-CB 3.43Å; A715-R719 PolarHBondContact O-N 2.79Å; A715-R719 VanDerWaalsContact O-N 3.16Å; H716-R719 PolarHBondContact O-N 2.69Å; R719-S722 PolarHBondContact O-N 3.35Å; R719-S723 PolarHBondContact O-N 3.01Å
720T95.7Very high94.8Very high61 Ų6191.5 Ų91.537%0.37446%0.462SS..Hα-helixtrans-61.3-51.1176.2-56.10000110.9H716 R717 S722 S723 D724H716-T720 PolarHBondContact O-N 3.28Å; H716-T720 PolarHBondContact O-OG1 3.49Å; R717-T720 PolarHBondContact O-N 3.3Å; T720-S722 PolarHBondContact O-N 3.06Å; T720-S723 PolarHBondContact O-N 2.85Å; T720-D724 PolarHBondContact O-N 3.32Å
721L95.9Very high94.9Very high97 Ų9796.1 Ų96.151%0.50848%0.475SS..Hα-helixtrans-60.6-41.9178.8-71171.2000112.5R717 S723 D724 V725R717-L721 HydrophobicContact CG-CD1 4.05Å; R717-L721 WeakPolarHBondContact O-CB 3.5Å; R717-L721 WeakPolarHBondContact O-CG 3.41Å; R717-L721 PolarHBondContact O-N 3.44Å; L721-S723 PolarHBondContact O-N 2.83Å; L721-D724 PolarHBondContact O-N 2.98Å; L721-V725 VanDerWaalsContact O-CG2 3.32Å; L721-V725 WeakPolarHBondContact O-CG2 3.44Å; L721-V725 PolarHBondContact O-N 2.7Å
722S96.1Very high95Very high61 Ų6199.1 Ų99.143%0.42749%0.488SS..Hα-helixtrans-63.1-39.8176.9-175.30000112.3L718 R719 T720 V725 Q726L718-S722 VanDerWaalsContact O-CB 3.25Å; L718-S722 WeakPolarHBondContact O-CB 3.5Å; L718-S722 PolarHBondContact O-N 2.96Å; R719-S722 PolarHBondContact O-N 3.35Å; T720-S722 PolarHBondContact O-N 3.06Å; S722-V725 PolarHBondContact O-N 3.14Å; S722-Q726 WeakPolarHBondContact O-CB 3.39Å; S722-Q726 VanDerWaalsContact O-CG 3.28Å; S722-Q726 WeakPolarHBondContact O-CG 3.45Å; S722-Q726 PolarHBondContact O-N 3.13Å
723S95.4Very high95.2Very high52 Ų5299.1 Ų99.136%0.36448%0.48SS..Hα-helixtrans-66.2-38.5174.5-172.90000112.4R719 T720 L721 R727R719-S723 PolarHBondContact O-N 3.01Å; T720-S723 PolarHBondContact O-N 2.85Å; L721-S723 PolarHBondContact O-N 2.83Å; S723-R727 WeakPolarHBondContact O-CG 3.27Å; S723-R727 PolarHBondContact O-N 3.29Å; S723-R727 VanDerWaalsContact O-N 3.1Å; S723-R727 PolarHBondContact O-NE 3.28Å
724D96.6Very high95.2Very high58 Ų58101.4 Ų101.431%0.3149%0.487SS..Hα-helixtrans-67-44.4176-71.6-20.2000111.9T720 L721 R727 Q728T720-D724 PolarHBondContact O-N 3.32Å; L721-D724 PolarHBondContact O-N 2.98Å; D724-R727 PolarHBondContact O-N 2.73Å; D724-R727 IonicContact OD1-CZ 3.35Å; D724-R727 IonicContact OD1-NE 2.64Å; D724-R727 IonicContact OD1-NH2 3.49Å; D724-R727 PolarHBondContact OD1-NH2 2.92Å; D724-Q728 WeakPolarHBondContact O-CG 3.47Å; D724-Q728 PolarHBondContact O-N 3.11Å
725V96Very high95.4Very high73 Ų73103.1 Ų103.144%0.44250%0.496SS..Hα-helixtrans-61.1-47.5175.4171.10000110.9L721 S722 R727 Q728 E729L721-V725 VanDerWaalsContact O-CG2 3.32Å; L721-V725 WeakPolarHBondContact O-CG2 3.44Å; L721-V725 PolarHBondContact O-N 2.7Å; S722-V725 PolarHBondContact O-N 3.14Å; V725-R727 VanDerWaalsContact C-N 3.28Å; V725-R727 PolarHBondContact O-N 2.84Å; V725-Q728 PolarHBondContact O-N 3.06Å; V725-E729 HydrophobicContact CG1-CG 4.29Å; V725-E729 WeakPolarHBondContact O-CG 3.44Å; V725-E729 PolarHBondContact O-N 3.36Å
726Q95.5Very high95.4Very high114 Ų114106.1 Ų106.153%0.53350%0.502SS..Hα-helixtrans-59.6-36.5177-74.8175.74.400113S722 A730S722-Q726 WeakPolarHBondContact O-CB 3.39Å; S722-Q726 VanDerWaalsContact O-CG 3.28Å; S722-Q726 WeakPolarHBondContact O-CG 3.45Å; S722-Q726 PolarHBondContact O-N 3.13Å; Q726-A730 WeakPolarHBondContact O-CB 3.45Å; Q726-A730 PolarHBondContact O-N 3.22Å
727R95.1Very high95.6Very high160 Ų160106.3 Ų106.360%0.60450%0.501SS*.Hα-helixtrans-67.2-38.9174.2-76-173.3-77.1-162.8-0.4112S723 D724 V725 R731S723-R727 WeakPolarHBondContact O-CG 3.27Å; S723-R727 PolarHBondContact O-N 3.29Å; S723-R727 VanDerWaalsContact O-N 3.1Å; S723-R727 PolarHBondContact O-NE 3.28Å; D724-R727 PolarHBondContact O-N 2.73Å; D724-R727 IonicContact OD1-CZ 3.35Å; D724-R727 IonicContact OD1-NE 2.64Å; D724-R727 IonicContact OD1-NH2 3.49Å; D724-R727 PolarHBondContact OD1-NH2 2.92Å; V725-R727 VanDerWaalsContact C-N 3.28Å; V725-R727 PolarHBondContact O-N 2.84Å; R727-R731 PolarHBondContact O-N 2.95Å
728Q95.1Very high95.5Very high137 Ų137100.4 Ų100.464%0.6449%0.488SS*.Hα-helixtrans-67.4-48175.5-69.3176.715.500111.6D724 V725 A730 R731 E732D724-Q728 WeakPolarHBondContact O-CG 3.47Å; D724-Q728 PolarHBondContact O-N 3.11Å; V725-Q728 PolarHBondContact O-N 3.06Å; Q728-A730 VanDerWaalsContact C-N 3.33Å; Q728-A730 PolarHBondContact O-N 3.39Å; Q728-R731 WeakPolarHBondContact O-CB 3.27Å; Q728-R731 PolarHBondContact O-N 3.48Å; Q728-E732 PolarHBondContact O-N 2.89Å
729E95.2Very high95.6Very high90 Ų90103.3 Ų103.342%0.42149%0.493SS..Hα-helixtrans-59.3-40.2176.6-72-179.6-176.600113V725 E732 R733V725-E729 HydrophobicContact CG1-CG 4.29Å; V725-E729 WeakPolarHBondContact O-CG 3.44Å; V725-E729 PolarHBondContact O-N 3.36Å; E729-E732 PolarHBondContact O-N 2.93Å; E729-R733 WeakPolarHBondContact O-CB 3.49Å; E729-R733 WeakPolarHBondContact O-CG 3.36Å; E729-R733 PolarHBondContact O-N 3.38Å; E729-R733 PolarHBondContact O-NE 2.97Å; E729-R733 IonicContact OE2-NH2 3.11Å; E729-R733 PolarHBondContact OE2-NH2 3.12Å
730A95.6Very high95.6Very high33 Ų3397.4 Ų97.427%0.27348%0.48SS..Hα-helixtrans-63.1-45177.700000111.1Q726 Q728 E732 R733 D734Q726-A730 WeakPolarHBondContact O-CB 3.45Å; Q726-A730 PolarHBondContact O-N 3.22Å; Q728-A730 VanDerWaalsContact C-N 3.33Å; Q728-A730 PolarHBondContact O-N 3.39Å; A730-E732 VanDerWaalsContact C-N 3.34Å; A730-E732 PolarHBondContact O-N 3.4Å; A730-R733 PolarHBondContact O-N 2.98Å; A730-D734 PolarHBondContact O-N 3.46Å
731R95.9Very high95.6Very high187 Ų18799.2 Ų99.271%0.70649%0.487SS*.Hα-helixtrans-61.8-41.3175.4-173.2179-176.9-179.10.9111.8R727 Q728 L735R727-R731 PolarHBondContact O-N 2.95Å; Q728-R731 WeakPolarHBondContact O-CB 3.27Å; Q728-R731 PolarHBondContact O-N 3.48Å; R731-L735 HydrophobicContact CG-CD1 4.25Å; R731-L735 VanDerWaalsContact O-CG 3.27Å; R731-L735 WeakPolarHBondContact O-CG 3.49Å; R731-L735 PolarHBondContact O-N 2.87Å; R731-L735 VanDerWaalsContact O-N 3.1Å
732E95.5Very high95.5Very high113 Ų11399.9 Ų99.953%0.52849%0.49SS..Hα-helixtrans-64.3-47.8176.4-162.8-168.915500111.5Q728 E729 A730 D734 L735 Q736Q728-E732 PolarHBondContact O-N 2.89Å; E729-E732 PolarHBondContact O-N 2.93Å; A730-E732 VanDerWaalsContact C-N 3.34Å; A730-E732 PolarHBondContact O-N 3.4Å; E732-D734 VanDerWaalsContact C-N 3.3Å; E732-D734 PolarHBondContact O-N 2.96Å; E732-L735 PolarHBondContact O-N 3.17Å; E732-Q736 WeakPolarHBondContact O-CG 3.45Å; E732-Q736 PolarHBondContact O-N 3.48Å; E732-Q736 PolarHBondContact OE1-NE2 2.9Å
733R96.3Very high95.4Very high118 Ų118102.2 Ų102.245%0.44549%0.493SS..Hα-helixtrans-57-40.7177.7-80.3-178.7-94117.3-9.8112.7E729 A730 K737E729-R733 WeakPolarHBondContact O-CB 3.49Å; E729-R733 WeakPolarHBondContact O-CG 3.36Å; E729-R733 PolarHBondContact O-N 3.38Å; E729-R733 PolarHBondContact O-NE 2.97Å; E729-R733 IonicContact OE2-NH2 3.11Å; E729-R733 PolarHBondContact OE2-NH2 3.12Å; A730-R733 PolarHBondContact O-N 2.98Å; R733-K737 WeakPolarHBondContact O-CG 3.43Å; R733-K737 PolarHBondContact O-N 3.34Å; R733-K737 VanDerWaalsContact O-N 3.1Å
734D96.2Very high95.4Very high89 Ų89105.5 Ų105.548%0.47650%0.502SS..Hα-helixtrans-75.7-33.1179.6-69.3-22.2000112.7A730 E732 K737 A738A730-D734 PolarHBondContact O-N 3.46Å; E732-D734 VanDerWaalsContact C-N 3.3Å; E732-D734 PolarHBondContact O-N 2.96Å; D734-K737 PolarHBondContact O-N 3.02Å; D734-K737 IonicContact OD1-NZ 2.8Å; D734-K737 PolarHBondContact OD1-NZ 3.05Å; D734-A738 WeakPolarHBondContact O-CB 3.49Å; D734-A738 PolarHBondContact O-N 3.25Å
735L95.1Very high95.2Very high113 Ų113109.4 Ų109.459%0.59252%0.516SS*.Hα-helixtrans-64.2-41.5169.8-72.2170.3000112R731 E732 A738 Y739R731-L735 HydrophobicContact CG-CD1 4.25Å; R731-L735 VanDerWaalsContact O-CG 3.27Å; R731-L735 WeakPolarHBondContact O-CG 3.49Å; R731-L735 PolarHBondContact O-N 2.87Å; R731-L735 VanDerWaalsContact O-N 3.1Å; E732-L735 PolarHBondContact O-N 3.17Å; L735-A738 PolarHBondContact O-N 3.08Å; L735-Y739 PolarHBondContact O-N 3.48Å
736Q95Very high95.1Very high109 Ų109109.9 Ų109.951%0.50952%0.516SS..Hα-helixtrans-62.1-42.4175.4-70.4175.27.200111.8E732 Y739 A740E732-Q736 WeakPolarHBondContact O-CG 3.45Å; E732-Q736 PolarHBondContact O-N 3.48Å; E732-Q736 PolarHBondContact OE1-NE2 2.9Å; Q736-Y739 PolarHBondContact O-N 3.18Å; Q736-A740 PolarHBondContact O-N 3.49Å
737K95.7Very high94.9Very high122 Ų122109.4 Ų109.453%0.5351%0.514SS..Hα-helixtrans-63.1-43.5173.7-69.8170.9-164.2158.60112.5R733 D734 Y739 A740 L741R733-K737 WeakPolarHBondContact O-CG 3.43Å; R733-K737 PolarHBondContact O-N 3.34Å; R733-K737 VanDerWaalsContact O-N 3.1Å; D734-K737 PolarHBondContact O-N 3.02Å; D734-K737 IonicContact OD1-NZ 2.8Å; D734-K737 PolarHBondContact OD1-NZ 3.05Å; K737-Y739 VanDerWaalsContact C-N 3.31Å; K737-Y739 PolarHBondContact O-N 2.9Å; K737-A740 PolarHBondContact O-N 3.12Å; K737-L741 PolarHBondContact O-N 2.98Å
738A95.3Very high94.8Very high45 Ų45104.6 Ų104.637%0.37251%0.505SS..Hα-helixtrans-61.4-41.5177.900000111.3D734 L735 L741 I742D734-A738 WeakPolarHBondContact O-CB 3.49Å; D734-A738 PolarHBondContact O-N 3.25Å; L735-A738 PolarHBondContact O-N 3.08Å; A738-L741 PolarHBondContact O-N 3.3Å; A738-I742 VanDerWaalsContact O-CG1 3.28Å; A738-I742 WeakPolarHBondContact O-CG1 3.42Å; A738-I742 PolarHBondContact O-N 2.85Å
739Y95.6Very high94.6Very high169 Ų169103.6 Ų103.666%0.66350%0.503SS*.Hα-helixtrans-61.7-43.8173.5-177.9-97.2000112.3L735 Q736 K737 I742 K743L735-Y739 PolarHBondContact O-N 3.48Å; Q736-Y739 PolarHBondContact O-N 3.18Å; K737-Y739 VanDerWaalsContact C-N 3.31Å; K737-Y739 PolarHBondContact O-N 2.9Å; Y739-I742 PolarHBondContact O-N 3.05Å; Y739-K743 WeakPolarHBondContact O-CB 3.47Å; Y739-K743 PolarHBondContact O-N 3.04Å
740A94.8Very high94.3Very high45 Ų45105.7 Ų105.737%0.37251%0.511SS..Hα-helixtrans-60.2-46.7176.300000112.5Q736 K737 I742 K743 E744Q736-A740 PolarHBondContact O-N 3.49Å; K737-A740 PolarHBondContact O-N 3.12Å; A740-I742 VanDerWaalsContact C-N 3.33Å; A740-I742 PolarHBondContact O-N 3.05Å; A740-K743 WeakPolarHBondContact O-CA 3.26Å; A740-K743 WeakPolarHBondContact O-CB 3.39Å; A740-K743 PolarHBondContact O-N 3.21Å; A740-K743 VanDerWaalsContact O-N 3.09Å; A740-E744 PolarHBondContact O-N 3.26Å
741L95.7Very high94Very high99 Ų99108.6 Ų108.652%0.51852%0.521SS..Hα-helixtrans-63.3-35.6176.7-72.5170.1000113K737 A738 K743 K745K737-L741 PolarHBondContact O-N 2.98Å; A738-L741 PolarHBondContact O-N 3.3Å; L741-K743 VanDerWaalsContact C-N 3.34Å; L741-K745 WeakPolarHBondContact O-CB 3.36Å; L741-K745 WeakPolarHBondContact O-CG 3.12Å; L741-K745 PolarHBondContact O-N 2.89Å
742I94.1Very high93.7Very high110 Ų110105.6 Ų105.656%0.56451%0.513SS*.Hα-helixtrans-66.8-39.2173.6-70.1165.7000110.3A738 Y739 A740 K745 L746A738-I742 VanDerWaalsContact O-CG1 3.28Å; A738-I742 WeakPolarHBondContact O-CG1 3.42Å; A738-I742 PolarHBondContact O-N 2.85Å; Y739-I742 PolarHBondContact O-N 3.05Å; A740-I742 VanDerWaalsContact C-N 3.33Å; A740-I742 PolarHBondContact O-N 3.05Å; I742-K745 PolarHBondContact O-N 3.45Å; I742-L746 WeakPolarHBondContact O-CB 3.39Å; I742-L746 PolarHBondContact O-N 3.01Å
743K94.2Very high93.3Very high111 Ų111106.2 Ų106.248%0.48351%0.514SS..Hα-helixtrans-64.1-45.8176.4-169.1-176.3175.2-165.50112Y739 A740 L741 K745 L746 E747Y739-K743 WeakPolarHBondContact O-CB 3.47Å; Y739-K743 PolarHBondContact O-N 3.04Å; A740-K743 WeakPolarHBondContact O-CA 3.26Å; A740-K743 WeakPolarHBondContact O-CB 3.39Å; A740-K743 PolarHBondContact O-N 3.21Å; A740-K743 VanDerWaalsContact O-N 3.09Å; L741-K743 VanDerWaalsContact C-N 3.34Å; K743-K745 PolarHBondContact O-N 3.16Å; K743-L746 WeakPolarHBondContact O-CB 3.48Å; K743-L746 PolarHBondContact O-N 3.31Å; K743-L746 VanDerWaalsContact O-N 3.16Å; K743-E747 WeakPolarHBondContact CE-OE1 3.48Å; K743-E747 WeakPolarHBondContact O-CG 3.49Å; K743-E747 PolarHBondContact O-N 3.07Å
744E94.1Very high92.5Very high120 Ų120106.7 Ų106.756%0.56152%0.522SS*.Hα-helixtrans-61.8-40.7174.8-70.7177.4169.300112.6A740 L746 E747 S748A740-E744 PolarHBondContact O-N 3.26Å; E744-L746 VanDerWaalsContact C-N 3.34Å; E744-L746 PolarHBondContact O-N 3.05Å; E744-E747 PolarHBondContact O-N 3.5Å; E744-S748 WeakPolarHBondContact O-CB 3.49Å; E744-S748 PolarHBondContact O-N 3.02Å; E744-S748 PolarHBondContact O-OG 3.38Å
745K94.1Very high91.8Very high141 Ų141108.3 Ų108.361%0.61353%0.526SS*.Hα-helixtrans-62.8-40.1173-77.1177.5179.5-179.70112L741 I742 K743 S748 L749L741-K745 WeakPolarHBondContact O-CB 3.36Å; L741-K745 WeakPolarHBondContact O-CG 3.12Å; L741-K745 PolarHBondContact O-N 2.89Å; I742-K745 PolarHBondContact O-N 3.45Å; K743-K745 PolarHBondContact O-N 3.16Å; K745-S748 WeakPolarHBondContact CA-OG 3.41Å; K745-S748 PolarHBondContact O-OG 2.76Å; K745-S748 VanDerWaalsContact O-OG 3.1Å; K745-L749 WeakPolarHBondContact O-CB 3.48Å; K745-L749 VanDerWaalsContact O-CG 3.24Å; K745-L749 WeakPolarHBondContact O-CG 3.36Å; K745-L749 PolarHBondContact O-N 3.33Å
746L92.9Very high91.1Very high83 Ų83108.7 Ų108.744%0.43553%0.525SS..Hα-helixtrans-67.2-41.2177.2-176.9157.3000111.5I742 K743 E744 K750I742-L746 WeakPolarHBondContact O-CB 3.39Å; I742-L746 PolarHBondContact O-N 3.01Å; K743-L746 WeakPolarHBondContact O-CB 3.48Å; K743-L746 PolarHBondContact O-N 3.31Å; K743-L746 VanDerWaalsContact O-N 3.16Å; E744-L746 VanDerWaalsContact C-N 3.34Å; E744-L746 PolarHBondContact O-N 3.05Å; L746-K750 HydrophobicContact CD2-CD 3.84Å; L746-K750 VanDerWaalsContact CD2-CE 3.43Å; L746-K750 HydrophobicContact CD2-CG 4.45Å; L746-K750 WeakPolarHBondContact O-CG 3.48Å; L746-K750 PolarHBondContact O-N 3.42Å
747E92Very high90.3Very high103 Ų103108.2 Ų108.248%0.48153%0.526SS..Hα-helixtrans-67.3-43.8176.5-73.6173.1-172.200112.1K743 E744 K750 L751K743-E747 WeakPolarHBondContact CE-OE1 3.48Å; K743-E747 WeakPolarHBondContact O-CG 3.49Å; K743-E747 PolarHBondContact O-N 3.07Å; E744-E747 PolarHBondContact O-N 3.5Å; E747-K750 WeakPolarHBondContact O-CB 3.49Å; E747-K750 PolarHBondContact O-N 3.38Å; E747-L751 PolarHBondContact O-N 2.61Å
748S92.3Very high89.2Confident60 Ų60105 Ų10542%0.4252%0.522SS..Hα-helixtrans-68-34.8175.954.90000113.5E744 K745 L751 K752E744-S748 WeakPolarHBondContact O-CB 3.49Å; E744-S748 PolarHBondContact O-N 3.02Å; E744-S748 PolarHBondContact O-OG 3.38Å; K745-S748 WeakPolarHBondContact CA-OG 3.41Å; K745-S748 PolarHBondContact O-OG 2.76Å; K745-S748 VanDerWaalsContact O-OG 3.1Å; S748-L751 PolarHBondContact O-N 3.39Å; S748-K752 WeakPolarHBondContact O-CG 3.42Å; S748-K752 PolarHBondContact O-N 2.64Å
749L91Very high87.7Confident116 Ų116106.5 Ų106.561%0.60753%0.53SS*.Hα-helixtrans-68.1-37.8171.3-74.7171.8000112.3K745 L751 K752 K753K745-L749 WeakPolarHBondContact O-CB 3.48Å; K745-L749 VanDerWaalsContact O-CG 3.24Å; K745-L749 WeakPolarHBondContact O-CG 3.36Å; K745-L749 PolarHBondContact O-N 3.33Å; L749-L751 VanDerWaalsContact C-N 3.35Å; L749-K752 PolarHBondContact O-N 3.35Å; L749-K753 WeakPolarHBondContact O-CB 3.44Å; L749-K753 PolarHBondContact O-N 3.33Å
750K89.5Confident86.2Confident133 Ų133104.6 Ų104.658%0.57854%0.535SS*.Hα-helixtrans-60.7-43.8171-79.6176.9176.7175.20111.6L746 E747 K753 Q754L746-K750 HydrophobicContact CD2-CD 3.84Å; L746-K750 VanDerWaalsContact CD2-CE 3.43Å; L746-K750 HydrophobicContact CD2-CG 4.45Å; L746-K750 WeakPolarHBondContact O-CG 3.48Å; L746-K750 PolarHBondContact O-N 3.42Å; E747-K750 WeakPolarHBondContact O-CB 3.49Å; E747-K750 PolarHBondContact O-N 3.38Å; K750-K753 PolarHBondContact O-N 2.85Å; K750-Q754 WeakPolarHBondContact O-CG 3.1Å; K750-Q754 PolarHBondContact O-N 3.26Å
751L89.1Confident84.5Confident94 Ų94107 Ų10749%0.49255%0.55SS..Hα-helixtrans-64.1-44.7178-170.474.6000111.8E747 S748 L749 K753 Q754 Q755E747-L751 PolarHBondContact O-N 2.61Å; S748-L751 PolarHBondContact O-N 3.39Å; L749-L751 VanDerWaalsContact C-N 3.35Å; L751-K753 PolarHBondContact O-N 2.97Å; L751-Q754 WeakPolarHBondContact O-CB 3.45Å; L751-Q754 PolarHBondContact O-N 3.18Å; L751-Q755 WeakPolarHBondContact O-CG 3.49Å; L751-Q755 PolarHBondContact O-N 3.39Å
752K88.6Confident82.6Confident124 Ų124105.7 Ų105.754%0.53955%0.553SS.*Hα-helixtrans-59.9-45.1174.7-77-175.6176.5-171.20111.9S748 L749 Q754 Q755 E756S748-K752 WeakPolarHBondContact O-CG 3.42Å; S748-K752 PolarHBondContact O-N 2.64Å; L749-K752 PolarHBondContact O-N 3.35Å; K752-Q754 VanDerWaalsContact C-N 3.31Å; K752-Q754 PolarHBondContact O-N 3.27Å; K752-Q755 WeakPolarHBondContact O-CB 3.43Å; K752-Q755 PolarHBondContact O-N 3.15Å; K752-E756 WeakPolarHBondContact O-CG 3.43Å; K752-E756 PolarHBondContact O-N 3.13Å
753K86.8Confident80.8Confident127 Ų127109.3 Ų109.355%0.55257%0.565SS**Hα-helixtrans-59.8-42176.2-173.1174.5179179.30111.8L749 K750 L751 Q755 E756 D757L749-K753 WeakPolarHBondContact O-CB 3.44Å; L749-K753 PolarHBondContact O-N 3.33Å; K750-K753 PolarHBondContact O-N 2.85Å; L751-K753 PolarHBondContact O-N 2.97Å; K753-Q755 VanDerWaalsContact C-N 3.3Å; K753-Q755 PolarHBondContact O-N 3.23Å; K753-E756 PolarHBondContact O-N 3.09Å; K753-D757 WeakPolarHBondContact O-CB 3.49Å; K753-D757 PolarHBondContact O-N 3.23Å
754Q81.1Confident79Confident128 Ų128110.2 Ų110.260%0.59858%0.582SS**Hα-helixtrans-61.5-35.7173.7-73.5173.6-17.800113K750 L751 K752 A758K750-Q754 WeakPolarHBondContact O-CG 3.1Å; K750-Q754 PolarHBondContact O-N 3.26Å; L751-Q754 WeakPolarHBondContact O-CB 3.45Å; L751-Q754 PolarHBondContact O-N 3.18Å; K752-Q754 VanDerWaalsContact C-N 3.31Å; K752-Q754 PolarHBondContact O-N 3.27Å; Q754-A758 VanDerWaalsContact O-CB 3.26Å; Q754-A758 WeakPolarHBondContact O-CB 3.18Å; Q754-A758 PolarHBondContact O-N 2.91Å
755Q81Confident77.2Confident122 Ų122110.2 Ų110.257%0.5759%0.59SS**Hα-helixtrans-71.9-39.5175.2-70.2175.1-1500112.5L751 K752 K753 A758 S759L751-Q755 WeakPolarHBondContact O-CG 3.49Å; L751-Q755 PolarHBondContact O-N 3.39Å; K752-Q755 WeakPolarHBondContact O-CB 3.43Å; K752-Q755 PolarHBondContact O-N 3.15Å; K753-Q755 VanDerWaalsContact C-N 3.3Å; K753-Q755 PolarHBondContact O-N 3.23Å; Q755-A758 PolarHBondContact O-N 3.42Å; Q755-S759 WeakPolarHBondContact O-CB 3.49Å; Q755-S759 PolarHBondContact O-N 3.34Å; Q755-S759 PolarHBondContact O-OG 3.46Å
756E80Confident74.9Confident121 Ų121111.7 Ų111.757%0.56560%0.603SS**Hα-helixtrans-64.7-51.3175-73.2170.9-176.600110.7K752 K753 A758 S759 V760K752-E756 WeakPolarHBondContact O-CG 3.43Å; K752-E756 PolarHBondContact O-N 3.13Å; K753-E756 PolarHBondContact O-N 3.09Å; E756-A758 PolarHBondContact O-N 2.94Å; E756-S759 PolarHBondContact O-N 3.47Å; E756-S759 VanDerWaalsContact O-N 3.08Å; E756-S759 PolarHBondContact O-OG 3.34Å; E756-V760 WeakPolarHBondContact O-CG2 3.47Å; E756-V760 PolarHBondContact O-N 2.61Å
757D78.6Confident73.1Confident100 Ų100117.9 Ų117.954%0.53562%0.623SS.*Hα-helixtrans-56.1-37.7175.1-69.1-24.7000111.3K753K753-D757 WeakPolarHBondContact O-CB 3.49Å; K753-D757 PolarHBondContact O-N 3.23Å
758A72Confident70.8Confident54 Ų54118.2 Ų118.245%0.44664%0.636SS.*Hα-helixtrans-69.1-45.2174.100000112.9Q754 Q755 E756 S761 A762Q754-A758 VanDerWaalsContact O-CB 3.26Å; Q754-A758 WeakPolarHBondContact O-CB 3.18Å; Q754-A758 PolarHBondContact O-N 2.91Å; Q755-A758 PolarHBondContact O-N 3.42Å; E756-A758 PolarHBondContact O-N 2.94Å; A758-S761 WeakPolarHBondContact O-CB 3.35Å; A758-S761 PolarHBondContact O-N 2.92Å; A758-S761 PolarHBondContact O-OG 2.9Å; A758-A762 PolarHBondContact O-N 2.91Å
759S65.3Low68.4Low76 Ų76124.4 Ų124.453%0.53166%0.658SS.*Hα-helixtrans-67.7-35.7-178.367.20000113.5Q755 E756 S761 A762Q755-S759 WeakPolarHBondContact O-CB 3.49Å; Q755-S759 PolarHBondContact O-N 3.34Å; Q755-S759 PolarHBondContact O-OG 3.46Å; E756-S759 PolarHBondContact O-N 3.47Å; E756-S759 VanDerWaalsContact O-N 3.08Å; E756-S759 PolarHBondContact O-OG 3.34Å; S759-S761 PolarHBondContact O-N 3.48Å; S759-A762 PolarHBondContact O-N 3.26Å; S759-A762 VanDerWaalsContact O-N 3.08Å
760V62.8Low65.8Low129 Ų129129.4 Ų129.478%0.78269%0.693SS**Hα-helixtrans-65.5-23.8174.61740000111.6E756E756-V760 WeakPolarHBondContact O-CG2 3.47Å; E756-V760 PolarHBondContact O-N 2.61Å
761S59.8Low64.6Low97 Ų97129.3 Ų129.368%0.67870%0.699SS**Hα-helixtrans-80.6-17.3173.982.50000114.3A758 S759 K763A758-S761 WeakPolarHBondContact O-CB 3.35Å; A758-S761 PolarHBondContact O-N 2.92Å; A758-S761 PolarHBondContact O-OG 2.9Å; S759-S761 PolarHBondContact O-N 3.48Å; S761-K763 PolarHBondContact O-N 2.76Å
762A54.9Low63.4Low70 Ų70131.1 Ų131.158%0.57971%0.71SS**  trans-90.896.4-170.400000112.5A758 S759A758-A762 PolarHBondContact O-N 2.91Å; S759-A762 PolarHBondContact O-N 3.26Å; S759-A762 VanDerWaalsContact O-N 3.08Å
763K57.1Low62Low187 Ų187131.5 Ų131.581%0.81372%0.719SS**PPolyproline II helixtrans-62.9132.9169.6-69.4-178.7178.8177.90110.2S761 V765S761-K763 PolarHBondContact O-N 2.76Å; K763-V765 PolarHBondContact O-N 3.38Å
764P56.8Low60.5Low130 Ų130131.8 Ų131.884%0.84473%0.729SS**PPolyproline II helixtrans-69127.9-176.927.2-34.1000111.5
765V56.2Low59.2Low119 Ų119132 Ų13272%0.72174%0.737SS**PPolyproline II helixtrans-97.4119.5173.7-1760000108.6K763 Y767K763-V765 PolarHBondContact O-N 3.38Å; V765-Y767 HydrophobicContact CG1-CD2 3.73Å; V765-Y767 HydrophobicContact CG1-CE2 3.78Å
766L44.9Very low57.8Low172 Ų172132.7 Ų132.790%0.90175%0.749SS**PPolyproline II helixtrans-76.7122.4172.9-78.8162.5000110.1
767Y55Low56.2Low214 Ų214133.5 Ų133.584%0.83976%0.762SS**  trans-133136.8161.5-93.9-79000111.1V765V765-Y767 HydrophobicContact CG1-CD2 3.73Å; V765-Y767 HydrophobicContact CG1-CE2 3.78Å
768S43.8Very low54.4Low109 Ų109136.1 Ų136.176%0.76278%0.779SS**  trans-84.6136-177.250.60000112.5
769Q42.1Very low53Low191 Ų191142.9 Ų142.989%0.89381%0.807SS**  trans18.3105.2154.7-66.7-179.7-25.900118.4
770V37.1Very low51.9Low221 Ų221149 Ų149100%1.33983%0.832SS**  -137.10119.3179.50000107.3

Retrieved 770 of 770 residues in 290.4 ms (Link to these results)

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