A0A077Z3T1_TRITR Loading...

p450 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3T1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M57.8Low85.6Confident83 Ų8342.7 Ų42.741%0.40923%0.23SC..  0-40.10-157175.4-65.400113.2A3 C4 L137 I277 L281 F317M1-A3 PolarHBondContact O-N 3.23Å; M1-C4 PolarHBondContact O-N 3.28Å; M1-C4 PolarHBondContact O-SG 3.12Å; M1-L137 HydrophobicContact CE-CD1 3.71Å; M1-L137 HydrophobicContact CE-CD2 3.93Å; M1-L137 HydrophobicContact CE-CG 4.48Å; M1-L137 HydrophobicContact SD-CD1 3.42Å; M1-L137 WeakPolarHBondContact SD-CD1 3.45Å; M1-L137 HydrophobicContact SD-CD2 4.22Å; M1-L137 HydrophobicContact SD-CG 4.34Å; M1-I277 HydrophobicContact SD-CG2 4.45Å; M1-L281 HydrophobicContact CE-CD1 3.35Å; M1-L281 HydrophobicContact CE-CD2 4.06Å; M1-L281 HydrophobicContact CE-CG 4.37Å; M1-L281 HydrophobicContact SD-CD1 3.66Å; M1-F317 HydrophobicContact CE-CE1 3.76Å; M1-F317 HydrophobicContact CE-CE2 4.48Å; M1-F317 HydrophobicContact CE-CZ 3.49Å; M1-F317 VanDerWaalsContact CE-CZ 3.49Å
2F76.6Confident86.3Confident105 Ų10545.8 Ų45.846%0.46125%0.245SC..Hα-helixtrans-49.4-39-179.6-51.6-54.4000114.8C4 F5 V6 I130 K134F2-C4 PolarHBondContact O-N 3.03Å; F2-C4 VanDerWaalsContact O-N 3.15Å; F2-F5 PolarHBondContact O-N 3.24Å; F2-V6 WeakPolarHBondContact O-CG2 3.42Å; F2-V6 PolarHBondContact O-N 3.21Å; F2-V6 VanDerWaalsContact O-N 3.13Å; F2-I130 HydrophobicContact CB-CD1 4.39Å; F2-I130 HydrophobicContact CD1-CB 4.38Å; F2-I130 HydrophobicContact CD1-CD1 4.42Å; F2-I130 HydrophobicContact CD1-CG1 4.19Å; F2-I130 HydrophobicContact CD1-CG2 3.42Å; F2-I130 VanDerWaalsContact CD1-CG2 3.42Å; F2-I130 HydrophobicContact CE1-CG2 3.63Å; F2-K134 HydrophobicContact CE1-CD 4.01Å; F2-K134 HydrophobicContact CE1-CG 3.73Å; F2-K134 HydrophobicContact CZ-CD 4.27Å; F2-K134 HydrophobicContact CZ-CG 4.15Å
3A83.7Confident86.9Confident49 Ų4942.8 Ų42.841%0.40523%0.229SC..Hα-helixtrans-46.5-38.3171.600000114.6M1 H7M1-A3 PolarHBondContact O-N 3.23Å; A3-H7 WeakPolarHBondContact O-CB 3.4Å; A3-H7 PolarHBondContact O-N 3.27Å
4C86.4Confident87.4Confident46 Ų4639.7 Ų39.731%0.31121%0.213SC..Hα-helixtrans-71.4-41.6-177.672.30000112.3M1 F2 H7 V8M1-C4 PolarHBondContact O-N 3.28Å; M1-C4 PolarHBondContact O-SG 3.12Å; F2-C4 PolarHBondContact O-N 3.03Å; F2-C4 VanDerWaalsContact O-N 3.15Å; C4-H7 WeakPolarHBondContact O-CB 3.5Å; C4-H7 PolarHBondContact O-N 3.45Å; C4-V8 VanDerWaalsContact O-CG2 3.32Å; C4-V8 WeakPolarHBondContact O-CG2 3.14Å; C4-V8 PolarHBondContact O-N 3.08Å
5F85.6Confident87.8Confident4 Ų437.1 Ų37.12%0.01820%0.198CC..Hα-helixtrans-64.7-43.7175.2-76.8-81.5000110.9F2 H7 V8 V9 I130 A133 N273 I277F2-F5 PolarHBondContact O-N 3.24Å; F5-H7 VanDerWaalsContact C-N 3.28Å; F5-H7 PolarHBondContact O-N 2.79Å; F5-V8 PolarHBondContact O-N 2.91Å; F5-V9 WeakPolarHBondContact O-CB 3.47Å; F5-V9 VanDerWaalsContact O-CG2 3.29Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 2.92Å; F5-I130 HydrophobicContact CB-CG1 4.08Å; F5-I130 HydrophobicContact CG-CG1 4.42Å; F5-A133 HydrophobicContact CD2-CB 4.39Å; F5-A133 HydrophobicContact CE2-CB 3.38Å; F5-A133 HydrophobicContact CZ-CB 3.49Å; F5-A133 VanDerWaalsContact CZ-CB 3.49Å; F5-N273 HydrophobicContact CE1-CB 4.42Å; F5-I277 HydrophobicContact CD1-CD1 4.04Å; F5-I277 HydrophobicContact CD2-CD1 4.24Å; F5-I277 HydrophobicContact CE1-CD1 3.47Å; F5-I277 VanDerWaalsContact CE1-CD1 3.47Å; F5-I277 HydrophobicContact CE2-CD1 3.69Å; F5-I277 HydrophobicContact CE2-CG2 4.37Å; F5-I277 HydrophobicContact CG-CD1 4.41Å; F5-I277 HydrophobicContact CZ-CB 4.46Å; F5-I277 HydrophobicContact CZ-CD1 3.26Å; F5-I277 HydrophobicContact CZ-CG1 4.43Å; F5-I277 HydrophobicContact CZ-CG2 4.34Å
6V88.9Confident87.9Confident6 Ų639 Ų394%0.03621%0.214CC..Hα-helixtrans-57.6-45.6175179.10000110.8F2 G10 F19 H21 L26 F30 L126 I130F2-V6 WeakPolarHBondContact O-CG2 3.42Å; F2-V6 PolarHBondContact O-N 3.21Å; F2-V6 VanDerWaalsContact O-N 3.13Å; V6-G10 PolarHBondContact O-N 2.9Å; V6-F19 HydrophobicContact CG1-CE1 3.96Å; V6-F19 HydrophobicContact CG1-CZ 3.78Å; V6-F19 WeakPolarHBondContact O-CE1 3.34Å; V6-H21 HydrophobicContact CB-CB 4.32Å; V6-H21 HydrophobicContact CG1-CB 3.92Å; V6-L26 HydrophobicContact CG1-CD1 4.24Å; V6-F30 HydrophobicContact CG1-CE2 4.07Å; V6-F30 HydrophobicContact CG1-CZ 4.28Å; V6-F30 HydrophobicContact CG2-CE1 4.48Å; V6-F30 HydrophobicContact CG2-CE2 3.8Å; V6-F30 HydrophobicContact CG2-CZ 3.54Å; V6-L126 HydrophobicContact CB-CD2 4.14Å; V6-L126 HydrophobicContact CG1-CD2 4.48Å; V6-L126 HydrophobicContact CG2-CD2 3.84Å; V6-I130 HydrophobicContact CG2-CD1 4.49Å
7H91.6Very high88Confident54 Ų5445.8 Ų45.825%0.2524%0.243CC..Hα-helixtrans-61.8-51.1177.9-169.294.5000112.8A3 C4 F5 K11 H21A3-H7 WeakPolarHBondContact O-CB 3.4Å; A3-H7 PolarHBondContact O-N 3.27Å; C4-H7 WeakPolarHBondContact O-CB 3.5Å; C4-H7 PolarHBondContact O-N 3.45Å; F5-H7 VanDerWaalsContact C-N 3.28Å; F5-H7 PolarHBondContact O-N 2.79Å; H7-K11 WeakPolarHBondContact CE1-CE 3.46Å; H7-K11 PolarHBondContact CE1-NZ 3.37Å; H7-K11 VanDerWaalsContact CE1-NZ 3.26Å; H7-K11 WeakPolarHBondContact NE2-CD 3.47Å; H7-K11 WeakPolarHBondContact NE2-CE 3.29Å; H7-K11 PolarHBondContact NE2-NZ 3.01Å; H7-K11 VanDerWaalsContact O-CB 3.28Å; H7-K11 WeakPolarHBondContact O-CB 3.47Å; H7-K11 VanDerWaalsContact O-CG 3.3Å; H7-K11 WeakPolarHBondContact O-CG 3.25Å; H7-K11 PolarHBondContact O-N 2.69Å; H7-H21 HydrophobicContact CB-CB 4.06Å; H7-H21 AromaticContact ND1-CE1 3.63Å; H7-H21 AromaticContact ND1-CG 3.69Å; H7-H21 AromaticContact ND1-ND1 3.17Å; H7-H21 PolarHBondContact ND1-ND1 2.98Å; H7-H21 VanDerWaalsContact ND1-ND1 3.17Å
8V91.6Very high88.1Confident55 Ų5543.7 Ų43.733%0.33323%0.233SC..Hα-helixtrans-64.6-50.7-177.7171.40000110.9C4 F5 L12C4-V8 VanDerWaalsContact O-CG2 3.32Å; C4-V8 WeakPolarHBondContact O-CG2 3.14Å; C4-V8 PolarHBondContact O-N 3.08Å; F5-V8 PolarHBondContact O-N 2.91Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.38Å
9V92.2Very high88.3Confident5 Ų541.7 Ų41.73%0.0322%0.222CC..Hα-helixtrans-65-46.7-178.4175.30000110.6F5 K11 L12 I13 F122 L126F5-V9 WeakPolarHBondContact O-CB 3.47Å; F5-V9 VanDerWaalsContact O-CG2 3.29Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 2.92Å; V9-K11 PolarHBondContact O-N 2.88Å; V9-L12 PolarHBondContact O-N 2.75Å; V9-I13 HydrophobicContact CG1-CD1 3.7Å; V9-I13 WeakPolarHBondContact O-CG1 3.2Å; V9-I13 PolarHBondContact O-N 3.46Å; V9-F122 HydrophobicContact CG1-CD2 4.06Å; V9-L126 HydrophobicContact CB-CD2 4.03Å; V9-L126 HydrophobicContact CG1-CD2 4.21Å; V9-L126 HydrophobicContact CG1-CG 4.4Å; V9-L126 HydrophobicContact CG2-CD2 4.47Å
10G93.3Very high88.5Confident0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-63.9-41.9-179.900000113.1V6 I13 F14 F19V6-G10 PolarHBondContact O-N 2.9Å; G10-I13 PolarHBondContact O-N 3.35Å; G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 VanDerWaalsContact O-CD2 3.3Å; G10-F14 WeakPolarHBondContact O-CD2 3.32Å; G10-F14 PolarHBondContact O-N 3.45Å; G10-F19 VanDerWaalsContact C-CG 3.46Å
11K94.4Very high88.5Confident63 Ų6342.5 Ų42.527%0.27422%0.224SC..Hα-helixtrans-66.8-37.1175.1-75.5-168.7167.8-178.60113H7 V9 I13 G15 P16 F19H7-K11 WeakPolarHBondContact CE1-CE 3.46Å; H7-K11 PolarHBondContact CE1-NZ 3.37Å; H7-K11 VanDerWaalsContact CE1-NZ 3.26Å; H7-K11 WeakPolarHBondContact NE2-CD 3.47Å; H7-K11 WeakPolarHBondContact NE2-CE 3.29Å; H7-K11 PolarHBondContact NE2-NZ 3.01Å; H7-K11 VanDerWaalsContact O-CB 3.28Å; H7-K11 WeakPolarHBondContact O-CB 3.47Å; H7-K11 VanDerWaalsContact O-CG 3.3Å; H7-K11 WeakPolarHBondContact O-CG 3.25Å; H7-K11 PolarHBondContact O-N 2.69Å; V9-K11 PolarHBondContact O-N 2.88Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 3.19Å; K11-G15 CarbonylContact O-C 3.56Å; K11-G15 VanDerWaalsContact O-C 3.29Å; K11-G15 WeakPolarHBondContact O-CA 3.32Å; K11-G15 PolarHBondContact O-N 3.12Å; K11-P16 HydrophobicContact CD-CB 4.21Å; K11-P16 VanDerWaalsContact CE-O 3.23Å; K11-P16 WeakPolarHBondContact CE-O 3.24Å; K11-F19 HydrophobicContact CG-CB 4.25Å; K11-F19 HydrophobicContact CG-CD1 4.42Å
12L93.8Very high90Very high79 Ų7946.9 Ų46.941%0.41424%0.236SC..Hα-helixtrans-64.4-35.8176.4-176.170.4000111.8V8 V9 C91 L92 L269V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.38Å; V9-L12 PolarHBondContact O-N 2.75Å; L12-C91 CarbonylContact O-C 3.56Å; L12-C91 VanDerWaalsContact O-CA 3.28Å; L12-C91 WeakPolarHBondContact O-CA 3.28Å; L12-C91 VanDerWaalsContact O-CB 3.25Å; L12-C91 WeakPolarHBondContact O-CB 3.38Å; L12-L92 PolarHBondContact O-N 3.08Å; L12-L269 HydrophobicContact CD2-CD1 3.72Å; L12-L269 HydrophobicContact CD2-CD2 3.23Å; L12-L269 HydrophobicContact CD2-CG 4.1Å
13I94Very high90.7Very high7 Ų743.1 Ų43.14%0.03622%0.221CC..Hα-helixtrans-83.4-52.3-176.5-66.1171000111.3V9 G10 K11 C91 L92 V93 A118 A121 F122V9-I13 HydrophobicContact CG1-CD1 3.7Å; V9-I13 WeakPolarHBondContact O-CG1 3.2Å; V9-I13 PolarHBondContact O-N 3.46Å; G10-I13 PolarHBondContact O-N 3.35Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 3.19Å; I13-C91 WeakPolarHBondContact O-CB 3.25Å; I13-C91 PolarHBondContact O-SG 3.18Å; I13-L92 HydrophobicContact CG1-CB 4.48Å; I13-L92 HydrophobicContact CG1-CD2 4.22Å; I13-L92 PolarHBondContact O-N 2.72Å; I13-V93 WeakPolarHBondContact O-CG2 3.45Å; I13-V93 PolarHBondContact O-N 2.91Å; I13-V93 VanDerWaalsContact O-N 3.1Å; I13-A118 HydrophobicContact CG2-CB 3.99Å; I13-A121 VanDerWaalsContact CD1-C 3.43Å; I13-A121 HydrophobicContact CD1-CB 3.78Å; I13-A121 HydrophobicContact CG1-CB 4.35Å; I13-F122 HydrophobicContact CD1-CB 3.72Å; I13-F122 HydrophobicContact CD1-CD2 4.15Å; I13-F122 HydrophobicContact CD1-CG 4.45Å; I13-F122 VanDerWaalsContact CD1-N 3.28Å
14F94.1Very high91Very high0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-98.5-11.5-170.5-56-63.4000114.3G10 N18 F19 V74 K77 V78 C91 V93 A118 F122G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 VanDerWaalsContact O-CD2 3.3Å; G10-F14 WeakPolarHBondContact O-CD2 3.32Å; G10-F14 PolarHBondContact O-N 3.45Å; F14-N18 VanDerWaalsContact O-CB 3.31Å; F14-N18 WeakPolarHBondContact O-CB 3.44Å; F14-N18 PolarHBondContact O-ND2 3.45Å; F14-F19 HydrophobicContact CB-CB 4.34Å; F14-F19 AromaticContact CD2-CD2 3.49Å; F14-F19 HydrophobicContact CD2-CD2 3.49Å; F14-F19 VanDerWaalsContact CD2-CD2 3.49Å; F14-F19 AromaticContact CD2-CE2 3.96Å; F14-F19 HydrophobicContact CD2-CE2 3.96Å; F14-F19 HydrophobicContact CD2-CG 4.37Å; F14-F19 HydrophobicContact CE2-CD2 4.16Å; F14-F19 HydrophobicContact CE2-CE2 4.17Å; F14-F19 HydrophobicContact CG-CD2 4.39Å; F14-V74 HydrophobicContact CE1-CG1 3.78Å; F14-V74 HydrophobicContact CZ-CB 4.4Å; F14-V74 HydrophobicContact CZ-CG1 3.86Å; F14-V74 HydrophobicContact CZ-CG2 4.06Å; F14-K77 HydrophobicContact CB-CB 4.28Å; F14-K77 HydrophobicContact CD1-CB 3.49Å; F14-K77 VanDerWaalsContact CD1-CB 3.49Å; F14-K77 HydrophobicContact CD1-CG 4.43Å; F14-K77 HydrophobicContact CD2-CB 4.49Å; F14-K77 HydrophobicContact CE1-CB 3.9Å; F14-K77 HydrophobicContact CG-CB 3.83Å; F14-K77 HydrophobicContact CG-CG 4.38Å; F14-V78 HydrophobicContact CD1-CG2 4.45Å; F14-V78 HydrophobicContact CE1-CG2 4.14Å; F14-C91 VanDerWaalsContact C-SG 3.58Å; F14-V93 HydrophobicContact CD1-CG2 4.2Å; F14-A118 HydrophobicContact CE1-CB 4.07Å; F14-F122 HydrophobicContact CE2-CB 4.19Å; F14-F122 HydrophobicContact CE2-CD1 4.18Å; F14-F122 AromaticContact CE2-CD2 3.7Å; F14-F122 HydrophobicContact CE2-CD2 3.7Å; F14-F122 HydrophobicContact CE2-CE2 4.07Å; F14-F122 AromaticContact CE2-CG 3.78Å; F14-F122 HydrophobicContact CE2-CG 3.78Å; F14-F122 HydrophobicContact CE2-CZ 4.46Å; F14-F122 HydrophobicContact CZ-CB 4.12Å; F14-F122 HydrophobicContact CZ-CD1 4.44Å; F14-F122 HydrophobicContact CZ-CD2 4.46Å; F14-F122 HydrophobicContact CZ-CG 4.12Å
15G92.6Very high91.1Very high0 Ų047.3 Ų47.30%023%0.233CC..  trans99.4150.7-177.800000113.3K11 E17 N18 F19 C91K11-G15 CarbonylContact O-C 3.56Å; K11-G15 VanDerWaalsContact O-C 3.29Å; K11-G15 WeakPolarHBondContact O-CA 3.32Å; K11-G15 PolarHBondContact O-N 3.12Å; G15-E17 VanDerWaalsContact C-N 3.26Å; G15-E17 PolarHBondContact O-N 3.28Å; G15-N18 PolarHBondContact O-N 2.89Å; G15-F19 PolarHBondContact O-N 3.33Å; G15-C91 VanDerWaalsContact N-CB 3.29Å
16P89.8Confident91.1Very high68 Ų6847.2 Ų47.244%0.44223%0.233SC..THydrogen-bonded Turntrans-62.3-29.7-171.222.7-33.7000114.4K11K11-P16 HydrophobicContact CD-CB 4.21Å; K11-P16 VanDerWaalsContact CE-O 3.23Å; K11-P16 WeakPolarHBondContact CE-O 3.24Å
17E89.2Confident90.8Very high154 Ų15451.7 Ų51.772%0.7225%0.253SS*.THydrogen-bonded Turntrans-94.2-10.5-177.8-63.7-179.9-173.100113.9G15 R84G15-E17 VanDerWaalsContact C-N 3.26Å; G15-E17 PolarHBondContact O-N 3.28Å; E17-R84 IonicContact OE2-CZ 2.79Å; E17-R84 IonicContact OE2-NH1 3.58Å; E17-R84 PolarHBondContact OE2-NH1 3.46Å; E17-R84 VanDerWaalsContact OE2-NH1 3.1Å
18N90.2Very high90.5Very high9 Ų953.5 Ų53.55%0.04826%0.262CS..THydrogen-bonded Turntrans-105.1-7.4-174.4-167.828.6000111.9F14 G15 K77F14-N18 VanDerWaalsContact O-CB 3.31Å; F14-N18 WeakPolarHBondContact O-CB 3.44Å; F14-N18 PolarHBondContact O-ND2 3.45Å; G15-N18 PolarHBondContact O-N 2.89Å; N18-K77 PolarHBondContact ND2-O 3.11Å; N18-K77 WeakPolarHBondContact O-CD 3.43Å; N18-K77 WeakPolarHBondContact O-CE 3.36Å; N18-K77 PolarHBondContact O-NZ 3.09Å
19F92.1Very high90.1Very high6 Ų651.2 Ų51.23%0.02625%0.247CC..  trans-123.4121.1-178.1-166.9-91.3000112.5V6 G10 K11 F14 G15 H21 L26 F73 F122V6-F19 HydrophobicContact CG1-CE1 3.96Å; V6-F19 HydrophobicContact CG1-CZ 3.78Å; V6-F19 WeakPolarHBondContact O-CE1 3.34Å; G10-F19 VanDerWaalsContact C-CG 3.46Å; K11-F19 HydrophobicContact CG-CB 4.25Å; K11-F19 HydrophobicContact CG-CD1 4.42Å; F14-F19 HydrophobicContact CB-CB 4.34Å; F14-F19 AromaticContact CD2-CD2 3.49Å; F14-F19 HydrophobicContact CD2-CD2 3.49Å; F14-F19 VanDerWaalsContact CD2-CD2 3.49Å; F14-F19 AromaticContact CD2-CE2 3.96Å; F14-F19 HydrophobicContact CD2-CE2 3.96Å; F14-F19 HydrophobicContact CD2-CG 4.37Å; F14-F19 HydrophobicContact CE2-CD2 4.16Å; F14-F19 HydrophobicContact CE2-CE2 4.17Å; F14-F19 HydrophobicContact CG-CD2 4.39Å; G15-F19 PolarHBondContact O-N 3.33Å; F19-H21 HydrophobicContact CE1-CB 4.08Å; F19-L26 HydrophobicContact CE1-CD1 4.15Å; F19-L26 HydrophobicContact CE2-CD1 3.82Å; F19-L26 HydrophobicContact CE2-CD2 4.46Å; F19-L26 HydrophobicContact CZ-CD1 3.42Å; F19-L26 VanDerWaalsContact CZ-CD1 3.42Å; F19-L26 HydrophobicContact CZ-CD2 4.45Å; F19-F73 HydrophobicContact CD2-CZ 4.4Å; F19-F73 HydrophobicContact CE2-CE1 4.1Å; F19-F73 AromaticContact CE2-CZ 3.94Å; F19-F73 HydrophobicContact CE2-CZ 3.94Å; F19-F122 AromaticContact CE2-CE2 3.64Å; F19-F122 HydrophobicContact CE2-CE2 3.64Å; F19-F122 AromaticContact CE2-CZ 3.59Å; F19-F122 HydrophobicContact CE2-CZ 3.59Å; F19-F122 AromaticContact CZ-CE2 3.64Å; F19-F122 HydrophobicContact CZ-CE2 3.64Å; F19-F122 AromaticContact CZ-CZ 3.64Å; F19-F122 HydrophobicContact CZ-CZ 3.64Å
20D91.9Very high89.4Confident56 Ų5653.1 Ų53.130%0.29926%0.255SS..  trans-119.9116.3165.5-169.5-7.1000109.7R22 D23D20-R22 PolarHBondContact O-N 2.86Å; D20-R22 WeakPolarHBondContact OD1-CB 3.45Å; D20-R22 IonicContact OD1-CZ 3.94Å; D20-R22 PolarHBondContact OD1-N 2.85Å; D20-R22 IonicContact OD1-NE 3.15Å; D20-R22 PolarHBondContact OD1-NE 2.9Å; D20-R22 VanDerWaalsContact OD1-NE 3.15Å; D20-R22 IonicContact OD1-NH2 3.81Å; D20-R22 IonicContact OD2-CZ 3.41Å; D20-R22 IonicContact OD2-NE 3.17Å; D20-R22 PolarHBondContact OD2-NE 3.42Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 3.38Å; D20-D23 VanDerWaalsContact O-CB 3.27Å; D20-D23 WeakPolarHBondContact O-CB 3.29Å; D20-D23 PolarHBondContact O-N 2.84Å
21H88.9Confident88.7Confident43 Ų4357.7 Ų57.720%0.19929%0.287CS..THydrogen-bonded Turntrans-59.6-12.8174.470-54.7000115V6 H7 F19V6-H21 HydrophobicContact CB-CB 4.32Å; V6-H21 HydrophobicContact CG1-CB 3.92Å; H7-H21 HydrophobicContact CB-CB 4.06Å; H7-H21 AromaticContact ND1-CE1 3.63Å; H7-H21 AromaticContact ND1-CG 3.69Å; H7-H21 AromaticContact ND1-ND1 3.17Å; H7-H21 PolarHBondContact ND1-ND1 2.98Å; H7-H21 VanDerWaalsContact ND1-ND1 3.17Å; F19-H21 HydrophobicContact CE1-CB 4.08Å
22R89.9Confident87.8Confident175 Ų17555.6 Ų55.666%0.6628%0.28SS*.THydrogen-bonded Turntrans-90.91174.7-60.6168.8-61.3174.78.8113.2D20 P24D20-R22 PolarHBondContact O-N 2.86Å; D20-R22 WeakPolarHBondContact OD1-CB 3.45Å; D20-R22 IonicContact OD1-CZ 3.94Å; D20-R22 PolarHBondContact OD1-N 2.85Å; D20-R22 IonicContact OD1-NE 3.15Å; D20-R22 PolarHBondContact OD1-NE 2.9Å; D20-R22 VanDerWaalsContact OD1-NE 3.15Å; D20-R22 IonicContact OD1-NH2 3.81Å; D20-R22 IonicContact OD2-CZ 3.41Å; D20-R22 IonicContact OD2-NE 3.17Å; D20-R22 PolarHBondContact OD2-NE 3.42Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 3.38Å; R22-P24 WeakPolarHBondContact O-CD 3.21Å
23D90.1Very high86.6Confident27 Ų2753.3 Ų53.314%0.14427%0.269CS..  trans-53.8120.9175-171-36.6000109.2D20 R25 L26 Q27 F73 K77D20-D23 VanDerWaalsContact O-CB 3.27Å; D20-D23 WeakPolarHBondContact O-CB 3.29Å; D20-D23 PolarHBondContact O-N 2.84Å; D23-R25 PolarHBondContact O-N 3.22Å; D23-R25 VanDerWaalsContact O-N 3.1Å; D23-R25 WeakPolarHBondContact OD1-CB 3.42Å; D23-R25 WeakPolarHBondContact OD1-CG 3.43Å; D23-R25 PolarHBondContact OD1-N 2.55Å; D23-R25 IonicContact OD1-NE 2.81Å; D23-R25 PolarHBondContact OD1-NE 2.89Å; D23-R25 IonicContact OD2-CZ 3.76Å; D23-R25 IonicContact OD2-NE 3.04Å; D23-R25 PolarHBondContact OD2-NE 3.25Å; D23-R25 IonicContact OD2-NH2 3.89Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å; D23-L26 HydrophobicContact CB-CD1 4.18Å; D23-L26 HydrophobicContact CB-CG 4.3Å; D23-L26 WeakPolarHBondContact O-CB 3.45Å; D23-L26 PolarHBondContact O-N 3.14Å; D23-Q27 PolarHBondContact O-N 3.01Å; D23-F73 HydrophobicContact CB-CE2 4.49Å; D23-K77 IonicContact OD2-NZ 3.64Å
24P89.8Confident85.5Confident101 Ų10157.3 Ų57.366%0.65630%0.295SS*.Hα-helixtrans-55.6-29.1-178.8-27.535.4000113.4R22 L26 Q27 E28R22-P24 WeakPolarHBondContact O-CD 3.21Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 2.85Å; P24-Q27 WeakPolarHBondContact O-CB 3.43Å; P24-Q27 PolarHBondContact O-N 3Å; P24-E28 PolarHBondContact O-N 3.45Å
25R88.7Confident84.3Confident82 Ų8261.3 Ų61.331%0.30931%0.314SS..Hα-helixtrans-66.8-35.1177.6-61.1178-63.6164-1.6112.1D23 Q27 E28 I29 F73D23-R25 PolarHBondContact O-N 3.22Å; D23-R25 VanDerWaalsContact O-N 3.1Å; D23-R25 WeakPolarHBondContact OD1-CB 3.42Å; D23-R25 WeakPolarHBondContact OD1-CG 3.43Å; D23-R25 PolarHBondContact OD1-N 2.55Å; D23-R25 IonicContact OD1-NE 2.81Å; D23-R25 PolarHBondContact OD1-NE 2.89Å; D23-R25 IonicContact OD2-CZ 3.76Å; D23-R25 IonicContact OD2-NE 3.04Å; D23-R25 PolarHBondContact OD2-NE 3.25Å; D23-R25 IonicContact OD2-NH2 3.89Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å; R25-Q27 VanDerWaalsContact C-N 3.34Å; R25-E28 PolarHBondContact O-N 2.83Å; R25-I29 WeakPolarHBondContact O-CD1 3.48Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.43Å; R25-I29 PolarHBondContact O-N 2.95Å; R25-F73 HydrophobicContact CB-CD2 4.17Å
26L86.1Confident83.1Confident1 Ų162 Ų621%0.00532%0.318CS..Hα-helixtrans-64-43172.6-75172.7000110.7V6 F19 D23 P24 E28 I29 F30 F73 F122V6-L26 HydrophobicContact CG1-CD1 4.24Å; F19-L26 HydrophobicContact CE1-CD1 4.15Å; F19-L26 HydrophobicContact CE2-CD1 3.82Å; F19-L26 HydrophobicContact CE2-CD2 4.46Å; F19-L26 HydrophobicContact CZ-CD1 3.42Å; F19-L26 VanDerWaalsContact CZ-CD1 3.42Å; F19-L26 HydrophobicContact CZ-CD2 4.45Å; D23-L26 HydrophobicContact CB-CD1 4.18Å; D23-L26 HydrophobicContact CB-CG 4.3Å; D23-L26 WeakPolarHBondContact O-CB 3.45Å; D23-L26 PolarHBondContact O-N 3.14Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 2.85Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 2.99Å; L26-I29 PolarHBondContact O-N 2.94Å; L26-F30 HydrophobicContact CB-CD2 4.42Å; L26-F30 HydrophobicContact CB-CE2 4.26Å; L26-F30 WeakPolarHBondContact O-CD2 3.25Å; L26-F30 PolarHBondContact O-N 3.46Å; L26-F73 HydrophobicContact CD1-CE2 4.42Å; L26-F73 HydrophobicContact CD1-CZ 3.88Å; L26-F73 HydrophobicContact CD2-CD1 4.12Å; L26-F73 HydrophobicContact CD2-CE1 3.5Å; L26-F73 VanDerWaalsContact CD2-CE1 3.5Å; L26-F73 HydrophobicContact CD2-CE2 4.01Å; L26-F73 HydrophobicContact CD2-CZ 3.43Å; L26-F73 VanDerWaalsContact CD2-CZ 3.43Å; L26-F73 HydrophobicContact CG-CE1 4.15Å; L26-F73 HydrophobicContact CG-CE2 3.79Å; L26-F73 HydrophobicContact CG-CZ 3.53Å; L26-F122 HydrophobicContact CD2-CE1 3.95Å; L26-F122 HydrophobicContact CD2-CZ 3.81Å
27Q83.6Confident82Confident100 Ų10059.6 Ų59.647%0.46730%0.301SS..Hα-helixtrans-61.9-40.9177.1-62.2-59.5-32.800111.2D23 P24 R25 F30 C31D23-Q27 PolarHBondContact O-N 3.01Å; P24-Q27 WeakPolarHBondContact O-CB 3.43Å; P24-Q27 PolarHBondContact O-N 3Å; R25-Q27 VanDerWaalsContact C-N 3.34Å; Q27-F30 PolarHBondContact O-N 3.38Å; Q27-C31 WeakPolarHBondContact O-CB 3.26Å; Q27-C31 PolarHBondContact O-N 3.38Å; Q27-C31 PolarHBondContact O-SG 3.1Å
28E84.6Confident80.9Confident92 Ų9252.9 Ų52.943%0.4327%0.273SS..Hα-helixtrans-62-44.2175.3-170.5-178.5175.600112.5P24 R25 L26 C31 S32 K69P24-E28 PolarHBondContact O-N 3.45Å; R25-E28 PolarHBondContact O-N 2.83Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 2.99Å; E28-C31 PolarHBondContact O-N 3.33Å; E28-S32 PolarHBondContact O-N 3.45Å; E28-S32 VanDerWaalsContact O-N 3.11Å; E28-S32 PolarHBondContact O-OG 3.29Å; E28-K69 IonicContact OE1-NZ 2.65Å; E28-K69 PolarHBondContact OE1-NZ 2.87Å
29I82.5Confident79.9Confident7 Ų755.1 Ų55.14%0.03628%0.284CS..Hα-helixtrans-60.5-45.8174.7-68.9162000110.3R25 L26 S32 M36 F70 F73R25-I29 WeakPolarHBondContact O-CD1 3.48Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.43Å; R25-I29 PolarHBondContact O-N 2.95Å; L26-I29 PolarHBondContact O-N 2.94Å; I29-S32 CarbonylContact O-C 3.56Å; I29-S32 WeakPolarHBondContact O-CA 3.44Å; I29-S32 WeakPolarHBondContact O-CB 3.35Å; I29-S32 PolarHBondContact O-N 2.89Å; I29-S32 VanDerWaalsContact O-N 3.12Å; I29-M36 HydrophobicContact CG2-CE 4.14Å; I29-M36 VanDerWaalsContact O-CE 3.31Å; I29-M36 WeakPolarHBondContact O-CE 3.49Å; I29-F70 HydrophobicContact CD1-CD2 4.31Å; I29-F70 HydrophobicContact CG2-CD2 4.02Å; I29-F73 HydrophobicContact CD1-CB 3.96Å; I29-F73 HydrophobicContact CD1-CG 4.17Å
30F79Confident78.7Confident45 Ų4558.5 Ų58.520%0.19730%0.299CS..Hα-helixtrans-67.9-34.2177.5-73.7-59.9000113.3V6 L26 Q27 S32 T33 L126 F127V6-F30 HydrophobicContact CG1-CE2 4.07Å; V6-F30 HydrophobicContact CG1-CZ 4.28Å; V6-F30 HydrophobicContact CG2-CE1 4.48Å; V6-F30 HydrophobicContact CG2-CE2 3.8Å; V6-F30 HydrophobicContact CG2-CZ 3.54Å; L26-F30 HydrophobicContact CB-CD2 4.42Å; L26-F30 HydrophobicContact CB-CE2 4.26Å; L26-F30 WeakPolarHBondContact O-CD2 3.25Å; L26-F30 PolarHBondContact O-N 3.46Å; Q27-F30 PolarHBondContact O-N 3.38Å; F30-S32 PolarHBondContact O-N 3.33Å; F30-T33 VanDerWaalsContact O-CB 3.26Å; F30-T33 WeakPolarHBondContact O-CB 3.15Å; F30-T33 PolarHBondContact O-N 3.46Å; F30-T33 VanDerWaalsContact O-N 3.14Å; F30-T33 PolarHBondContact O-OG1 3.12Å; F30-L126 HydrophobicContact CE1-CD1 4.22Å; F30-L126 HydrophobicContact CZ-CD1 3.79Å; F30-F127 HydrophobicContact CE1-CE1 4.49Å
31C77.5Confident77.6Confident97 Ų9764.1 Ų64.166%0.65532%0.316SS*.Hα-helixtrans-64.9-25.7172.7-73.10000111.9Q27 E28 T33 P34Q27-C31 WeakPolarHBondContact O-CB 3.26Å; Q27-C31 PolarHBondContact O-N 3.38Å; Q27-C31 PolarHBondContact O-SG 3.1Å; E28-C31 PolarHBondContact O-N 3.33Å; C31-T33 PolarHBondContact O-N 2.95Å; C31-P34 WeakPolarHBondContact O-CD 3.38Å
32S75.6Confident76.6Confident19 Ų1963.5 Ų63.513%0.13331%0.314CS..THydrogen-bonded Turntrans-85.713175.3-47.40000113.5E28 I29 F30 P34 E35 M36E28-S32 PolarHBondContact O-N 3.45Å; E28-S32 VanDerWaalsContact O-N 3.11Å; E28-S32 PolarHBondContact O-OG 3.29Å; I29-S32 CarbonylContact O-C 3.56Å; I29-S32 WeakPolarHBondContact O-CA 3.44Å; I29-S32 WeakPolarHBondContact O-CB 3.35Å; I29-S32 PolarHBondContact O-N 2.89Å; I29-S32 VanDerWaalsContact O-N 3.12Å; F30-S32 PolarHBondContact O-N 3.33Å; S32-P34 VanDerWaalsContact C-CD 3.43Å; S32-E35 VanDerWaalsContact C-OE2 3.29Å; S32-E35 VanDerWaalsContact CA-OE2 3.29Å; S32-E35 WeakPolarHBondContact CA-OE2 3.3Å; S32-E35 PolarHBondContact O-N 2.87Å; S32-M36 PolarHBondContact O-N 3.44Å; S32-M36 VanDerWaalsContact O-N 3.12Å
33T69Low75.7Confident31 Ų3155.9 Ų55.919%0.1929%0.29CS..Hα-helixtrans-58-39.6178.5-58.20000113.2F30 C31 E35 M36 D37 F127F30-T33 VanDerWaalsContact O-CB 3.26Å; F30-T33 WeakPolarHBondContact O-CB 3.15Å; F30-T33 PolarHBondContact O-N 3.46Å; F30-T33 VanDerWaalsContact O-N 3.14Å; F30-T33 PolarHBondContact O-OG1 3.12Å; C31-T33 PolarHBondContact O-N 2.95Å; T33-E35 VanDerWaalsContact C-N 3.26Å; T33-E35 PolarHBondContact O-N 3.05Å; T33-M36 PolarHBondContact O-N 3.28Å; T33-M36 VanDerWaalsContact O-N 3.16Å; T33-D37 WeakPolarHBondContact CG2-OD2 3.26Å; T33-D37 WeakPolarHBondContact O-CB 3.37Å; T33-D37 PolarHBondContact O-N 2.67Å; T33-F127 HydrophobicContact CG2-CE1 4.43Å
34P69.9Low74.9Confident90 Ų9058.2 Ų58.258%0.58431%0.307SS*.Hα-helixtrans-58.1-37.4176.4-24.935.7000113.5C31 S32 D37 G38C31-P34 WeakPolarHBondContact O-CD 3.38Å; S32-P34 VanDerWaalsContact C-CD 3.43Å; P34-D37 PolarHBondContact O-N 3.19Å; P34-G38 PolarHBondContact O-N 2.98Å
35E68.8Low74.3Confident84 Ų8457.7 Ų57.739%0.39330%0.299SS..Hα-helixtrans-69.4-43175.5-6779-17900111.4S32 T33 D37 G38 M39 V66S32-E35 VanDerWaalsContact C-OE2 3.29Å; S32-E35 VanDerWaalsContact CA-OE2 3.29Å; S32-E35 WeakPolarHBondContact CA-OE2 3.3Å; S32-E35 PolarHBondContact O-N 2.87Å; T33-E35 VanDerWaalsContact C-N 3.26Å; T33-E35 PolarHBondContact O-N 3.05Å; E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.34Å; E35-G38 WeakPolarHBondContact O-CA 3.22Å; E35-G38 PolarHBondContact O-N 3.43Å; E35-G38 VanDerWaalsContact O-N 3.12Å; E35-M39 PolarHBondContact O-N 3.28Å; E35-V66 HydrophobicContact CB-CG2 4.12Å
36M67.9Low74Confident16 Ų1654.3 Ų54.38%0.07929%0.287CS..Hα-helixtrans-62.1-38.1173.1-69.8-168.8-74.100112I29 S32 T33 G38 M39 V66 F127I29-M36 HydrophobicContact CG2-CE 4.14Å; I29-M36 VanDerWaalsContact O-CE 3.31Å; I29-M36 WeakPolarHBondContact O-CE 3.49Å; S32-M36 PolarHBondContact O-N 3.44Å; S32-M36 VanDerWaalsContact O-N 3.12Å; T33-M36 PolarHBondContact O-N 3.28Å; T33-M36 VanDerWaalsContact O-N 3.16Å; M36-G38 VanDerWaalsContact C-N 3.25Å; M36-G38 PolarHBondContact O-N 2.99Å; M36-M39 WeakPolarHBondContact O-CA 3.37Å; M36-M39 WeakPolarHBondContact O-CB 3.45Å; M36-M39 PolarHBondContact O-N 2.87Å; M36-V66 HydrophobicContact CG-CG1 3.54Å; M36-V66 HydrophobicContact SD-CG1 4.06Å; M36-F127 HydrophobicContact CE-CE1 4.28Å; M36-F127 HydrophobicContact CE-CZ 3.74Å; M36-F127 HydrophobicContact SD-CZ 4.2Å
37D67.8Low73.9Confident16 Ų1660 Ų609%0.08632%0.317CS..Hα-helixtrans-67.3-32.4175.4-68-31.5000111.3T33 P34 E35 M39 F40 R41 N305T33-D37 WeakPolarHBondContact CG2-OD2 3.26Å; T33-D37 WeakPolarHBondContact O-CB 3.37Å; T33-D37 PolarHBondContact O-N 2.67Å; P34-D37 PolarHBondContact O-N 3.19Å; E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.34Å; D37-M39 PolarHBondContact O-N 3.03Å; D37-F40 PolarHBondContact O-N 3.46Å; D37-R41 PolarHBondContact O-N 3.37Å; D37-R41 VanDerWaalsContact O-N 3.16Å; D37-N305 HydrophobicContact CB-CB 3.98Å; D37-N305 VanDerWaalsContact CG-CB 3.4Å; D37-N305 VanDerWaalsContact CG-CG 3.46Å; D37-N305 WeakPolarHBondContact OD1-CB 3.39Å; D37-N305 WeakPolarHBondContact OD2-CB 3.47Å; D37-N305 PolarHBondContact OD2-ND2 3.43Å
38G65.6Low73.9Confident14 Ų1459.9 Ų59.914%0.14433%0.327CS..Hα-helixtrans-57-34.8167.500000112.8P34 E35 M36 F40 R41 I42P34-G38 PolarHBondContact O-N 2.98Å; E35-G38 WeakPolarHBondContact O-CA 3.22Å; E35-G38 PolarHBondContact O-N 3.43Å; E35-G38 VanDerWaalsContact O-N 3.12Å; M36-G38 VanDerWaalsContact C-N 3.25Å; M36-G38 PolarHBondContact O-N 2.99Å; G38-F40 PolarHBondContact O-N 3.19Å; G38-R41 PolarHBondContact O-N 3.39Å; G38-I42 VanDerWaalsContact O-CB 3.26Å; G38-I42 WeakPolarHBondContact O-CB 3.36Å; G38-I42 PolarHBondContact O-N 2.96Å
39M69Low74.1Confident55 Ų5560.5 Ų60.527%0.27133%0.328SS..Hα-helixtrans-59.3-43.8175.5-173.7178.667.700111.9E35 M36 D37 G43 I63E35-M39 PolarHBondContact O-N 3.28Å; M36-M39 WeakPolarHBondContact O-CA 3.37Å; M36-M39 WeakPolarHBondContact O-CB 3.45Å; M36-M39 PolarHBondContact O-N 2.87Å; D37-M39 PolarHBondContact O-N 3.03Å; M39-G43 WeakPolarHBondContact O-CA 3.23Å; M39-G43 PolarHBondContact O-N 2.99Å; M39-I63 HydrophobicContact CB-CD1 4.02Å; M39-I63 HydrophobicContact CB-CG1 4.08Å; M39-I63 HydrophobicContact CB-CG2 3.74Å; M39-I63 HydrophobicContact CG-CG2 3.68Å; M39-I63 HydrophobicContact SD-CG2 3.8Å
40F67.6Low74.3Confident78 Ų7863.4 Ų63.434%0.34235%0.353SS..Hα-helixtrans-74.4-42.5-179.9-70.9-77.5000111.9D37 G38 C44 F306D37-F40 PolarHBondContact O-N 3.46Å; G38-F40 PolarHBondContact O-N 3.19Å; F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 3.34Å; F40-C44 VanDerWaalsContact O-SG 3.34Å; F40-F306 AromaticContact CD1-CD2 3.63Å; F40-F306 HydrophobicContact CD1-CD2 3.63Å; F40-F306 HydrophobicContact CD1-CE2 4.13Å; F40-F306 HydrophobicContact CD2-CB 3.68Å; F40-F306 AromaticContact CD2-CD2 3.61Å; F40-F306 HydrophobicContact CD2-CD2 3.61Å; F40-F306 AromaticContact CD2-CG 3.99Å; F40-F306 HydrophobicContact CD2-CG 3.99Å; F40-F306 AromaticContact CE1-CD2 3.31Å; F40-F306 HydrophobicContact CE1-CD2 3.31Å; F40-F306 AromaticContact CE1-CE2 3.44Å; F40-F306 HydrophobicContact CE1-CE2 3.44Å; F40-F306 VanDerWaalsContact CE1-CE2 3.44Å; F40-F306 HydrophobicContact CE1-CG 4.47Å; F40-F306 HydrophobicContact CE2-CB 3.82Å; F40-F306 AromaticContact CE2-CD2 3.29Å; F40-F306 HydrophobicContact CE2-CD2 3.29Å; F40-F306 AromaticContact CE2-CE2 3.99Å; F40-F306 HydrophobicContact CE2-CE2 3.99Å; F40-F306 AromaticContact CE2-CG 3.7Å; F40-F306 HydrophobicContact CE2-CG 3.7Å; F40-F306 HydrophobicContact CG-CB 4.29Å; F40-F306 AromaticContact CG-CD2 3.77Å; F40-F306 HydrophobicContact CG-CD2 3.77Å; F40-F306 HydrophobicContact CG-CG 4.49Å; F40-F306 AromaticContact CZ-CD2 3.13Å; F40-F306 HydrophobicContact CZ-CD2 3.13Å; F40-F306 AromaticContact CZ-CE2 3.36Å; F40-F306 HydrophobicContact CZ-CE2 3.36Å; F40-F306 AromaticContact CZ-CG 3.96Å; F40-F306 HydrophobicContact CZ-CG 3.96Å; F40-F306 HydrophobicContact CZ-CZ 4.35Å
41R67.8Low74.8Confident174 Ų17468.8 Ų68.866%0.65737%0.372SS*.Hα-helixtrans-65.1-43.6-180-67.8-178.669.6-155.63112.7D37 G38D37-R41 PolarHBondContact O-N 3.37Å; D37-R41 VanDerWaalsContact O-N 3.16Å; G38-R41 PolarHBondContact O-N 3.39Å
42I68.9Low75.4Confident29 Ų2965.7 Ų65.715%0.14935%0.348CS..Hα-helixtrans-86.7-34.6-179-64.4165.5000110.7G38 L45 T46 R56 T59G38-I42 VanDerWaalsContact O-CB 3.26Å; G38-I42 WeakPolarHBondContact O-CB 3.36Å; G38-I42 PolarHBondContact O-N 2.96Å; I42-L45 CarbonylContact O-C 3.59Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 PolarHBondContact O-N 3.45Å; I42-L45 VanDerWaalsContact O-N 3.17Å; I42-T46 HydrophobicContact CG2-CG2 3.72Å; I42-T46 WeakPolarHBondContact O-CG2 3.42Å; I42-T46 PolarHBondContact O-N 2.94Å; I42-T46 PolarHBondContact O-OG1 3.25Å; I42-T46 VanDerWaalsContact O-OG1 3.08Å; I42-R56 HydrophobicContact CG2-CB 4.11Å; I42-R56 HydrophobicContact CG2-CG 4.04Å; I42-T59 HydrophobicContact CD1-CG2 3.24Å
43G69.5Low75.9Confident15 Ų1569.3 Ų69.316%0.15536%0.362CS..Hα-helixtrans-54.5-57.6179.400000111.2M39 L45 T46 D47M39-G43 WeakPolarHBondContact O-CA 3.23Å; M39-G43 PolarHBondContact O-N 2.99Å; G43-L45 PolarHBondContact O-N 3.24Å; G43-L45 VanDerWaalsContact O-N 3.16Å; G43-T46 WeakPolarHBondContact CA-OG1 3.41Å; G43-T46 CarbonylContact O-C 3.56Å; G43-T46 PolarHBondContact O-N 3.41Å; G43-T46 PolarHBondContact O-OG1 3.29Å; G43-D47 WeakPolarHBondContact O-CB 3.26Å; G43-D47 PolarHBondContact O-N 3.14Å
44C73Confident76.7Confident76 Ų7673.1 Ų73.151%0.51438%0.38SS..Hα-helixtrans-53.8-41.7177.8-64.60000112.2F40 D47 C48F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 3.34Å; F40-C44 VanDerWaalsContact O-SG 3.34Å; C44-D47 PolarHBondContact O-N 2.55Å; C44-C48 PolarHBondContact O-N 2.89Å; C44-C48 VanDerWaalsContact O-N 3.09Å; C44-C48 PolarHBondContact O-SG 2.99Å; C44-C48 VanDerWaalsContact O-SG 3.33Å
45L78.3Confident77.6Confident91 Ų9174.5 Ų74.548%0.47638%0.382SS..Hα-helixtrans-64.6-48176.5-81.5-179.4000111.5I42 G43 D47 C48 F49 M52I42-L45 CarbonylContact O-C 3.59Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 PolarHBondContact O-N 3.45Å; I42-L45 VanDerWaalsContact O-N 3.17Å; G43-L45 PolarHBondContact O-N 3.24Å; G43-L45 VanDerWaalsContact O-N 3.16Å; L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.32Å; L45-C48 PolarHBondContact O-N 3.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.12Å; L45-F49 PolarHBondContact O-N 2.68Å; L45-M52 HydrophobicContact CB-CE 3.46Å; L45-M52 VanDerWaalsContact CB-CE 3.46Å; L45-M52 HydrophobicContact CD2-CE 4.31Å; L45-M52 HydrophobicContact CG-CE 4.36Å; L45-M52 WeakPolarHBondContact O-CE 3.29Å
46T83.2Confident78.3Confident10 Ų1076.8 Ų76.86%0.06139%0.387CS..Hα-helixtrans-72.2-18.817957.10000114.2I42 G43 F49 A50 M52 K53I42-T46 HydrophobicContact CG2-CG2 3.72Å; I42-T46 WeakPolarHBondContact O-CG2 3.42Å; I42-T46 PolarHBondContact O-N 2.94Å; I42-T46 PolarHBondContact O-OG1 3.25Å; I42-T46 VanDerWaalsContact O-OG1 3.08Å; G43-T46 WeakPolarHBondContact CA-OG1 3.41Å; G43-T46 CarbonylContact O-C 3.56Å; G43-T46 PolarHBondContact O-N 3.41Å; G43-T46 PolarHBondContact O-OG1 3.29Å; T46-F49 CarbonylContact O-C 3.29Å; T46-A50 VanDerWaalsContact O-CA 3.27Å; T46-A50 WeakPolarHBondContact O-CA 2.91Å; T46-A50 PolarHBondContact O-N 2.87Å; T46-M52 HydrophobicContact CG2-CB 4.31Å; T46-K53 HydrophobicContact CG2-CG 3.84Å; T46-K53 WeakPolarHBondContact O-CE 3.18Å
47D82.9Confident79.1Confident120 Ų12084.1 Ų84.164%0.64241%0.414SS*.Hα-helixtrans-79.7-40.6174.1-67.4-26.5000110.5G43 C44 L45G43-D47 WeakPolarHBondContact O-CB 3.26Å; G43-D47 PolarHBondContact O-N 3.14Å; C44-D47 PolarHBondContact O-N 2.55Å; L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.32Å
48C83.8Confident79.9Confident99 Ų9991.2 Ų91.267%0.66944%0.444SS*.Hα-helixtrans-71.1-36.3171.6-65.40000112.5C44 L45C44-C48 PolarHBondContact O-N 2.89Å; C44-C48 VanDerWaalsContact O-N 3.09Å; C44-C48 PolarHBondContact O-SG 2.99Å; C44-C48 VanDerWaalsContact O-SG 3.33Å; L45-C48 PolarHBondContact O-N 3.07Å
49F88.2Confident80.8Confident105 Ų10592.9 Ų92.946%0.46145%0.451SS..  trans-131.682-176.5-49-78.9000110.9L45 T46 W51 M52L45-F49 WeakPolarHBondContact O-CD2 3.12Å; L45-F49 PolarHBondContact O-N 2.68Å; T46-F49 CarbonylContact O-C 3.29Å; F49-W51 PolarHBondContact O-N 2.85Å; F49-M52 HydrophobicContact CB-CE 3.74Å; F49-M52 HydrophobicContact CB-CG 3.99Å; F49-M52 HydrophobicContact CB-SD 4.14Å; F49-M52 HydrophobicContact CD2-CE 3.82Å; F49-M52 HydrophobicContact CD2-SD 4.39Å; F49-M52 HydrophobicContact CG-CE 4.24Å; F49-M52 WeakPolarHBondContact O-CB 3.29Å; F49-M52 PolarHBondContact O-N 3.33Å
50A88Confident81.5Confident67 Ų6791.9 Ų91.955%0.55445%0.447SS*.G310 helixtrans-51.6-32.2-176.600000114.3T46 M52 K53T46-A50 VanDerWaalsContact O-CA 3.27Å; T46-A50 WeakPolarHBondContact O-CA 2.91Å; T46-A50 PolarHBondContact O-N 2.87Å; A50-M52 PolarHBondContact O-N 2.81Å; A50-K53 VanDerWaalsContact O-CB 3.29Å; A50-K53 WeakPolarHBondContact O-CB 3.41Å; A50-K53 VanDerWaalsContact O-CG 3.31Å; A50-K53 WeakPolarHBondContact O-CG 3.5Å; A50-K53 PolarHBondContact O-N 3.3Å; A50-K53 VanDerWaalsContact O-N 3.12Å
51W89.9Confident82.4Confident158 Ų15890.3 Ų90.360%0.59845%0.449SS*.G310 helixtrans-62.2-26.6178.765.9-94.9000113.3F49 K53 L54 L55F49-W51 PolarHBondContact O-N 2.85Å; W51-K53 PolarHBondContact O-N 3.11Å; W51-L54 WeakPolarHBondContact O-CB 3.35Å; W51-L54 PolarHBondContact O-N 3.12Å; W51-L54 VanDerWaalsContact O-N 3.1Å; W51-L55 HydrophobicContact CE3-CD1 4.35Å; W51-L55 HydrophobicContact CH2-CD1 4.43Å; W51-L55 HydrophobicContact CZ3-CD1 3.61Å; W51-L55 HydrophobicContact CZ3-CG 4.44Å
52M88.3Confident83.1Confident32 Ų3284 Ų8416%0.15843%0.428CS..G310 helixtrans-69-15.3177.8-62.5-168.2-48.400113.1L45 T46 F49 A50 L54 L55 R56L45-M52 HydrophobicContact CB-CE 3.46Å; L45-M52 VanDerWaalsContact CB-CE 3.46Å; L45-M52 HydrophobicContact CD2-CE 4.31Å; L45-M52 HydrophobicContact CG-CE 4.36Å; L45-M52 WeakPolarHBondContact O-CE 3.29Å; T46-M52 HydrophobicContact CG2-CB 4.31Å; F49-M52 HydrophobicContact CB-CE 3.74Å; F49-M52 HydrophobicContact CB-CG 3.99Å; F49-M52 HydrophobicContact CB-SD 4.14Å; F49-M52 HydrophobicContact CD2-CE 3.82Å; F49-M52 HydrophobicContact CD2-SD 4.39Å; F49-M52 HydrophobicContact CG-CE 4.24Å; F49-M52 WeakPolarHBondContact O-CB 3.29Å; F49-M52 PolarHBondContact O-N 3.33Å; A50-M52 PolarHBondContact O-N 2.81Å; M52-L54 PolarHBondContact O-N 2.9Å; M52-L55 PolarHBondContact O-N 2.65Å; M52-R56 PolarHBondContact O-N 2.96Å; M52-R56 VanDerWaalsContact O-N 3.08Å
53K85.8Confident83.8Confident96 Ų9683.4 Ų83.442%0.41743%0.425SS..G310 helixtrans-56.8-29.4170.5-64.9-179.7-179.8-1800111.3T46 A50 W51 R57 I60T46-K53 HydrophobicContact CG2-CG 3.84Å; T46-K53 WeakPolarHBondContact O-CE 3.18Å; A50-K53 VanDerWaalsContact O-CB 3.29Å; A50-K53 WeakPolarHBondContact O-CB 3.41Å; A50-K53 VanDerWaalsContact O-CG 3.31Å; A50-K53 WeakPolarHBondContact O-CG 3.5Å; A50-K53 PolarHBondContact O-N 3.3Å; A50-K53 VanDerWaalsContact O-N 3.12Å; W51-K53 PolarHBondContact O-N 3.11Å; K53-R57 PolarHBondContact O-N 2.98Å; K53-I60 HydrophobicContact CB-CD1 3.85Å; K53-I60 HydrophobicContact CG-CD1 4Å
54L87.3Confident84.5Confident110 Ų11090.3 Ų90.358%0.57645%0.446SS*.G310 helixtrans-69.6-34.2175.3-61.3171.1000112.8W51 M52 R57W51-L54 WeakPolarHBondContact O-CB 3.35Å; W51-L54 PolarHBondContact O-N 3.12Å; W51-L54 VanDerWaalsContact O-N 3.1Å; M52-L54 PolarHBondContact O-N 2.9Å; L54-R57 WeakPolarHBondContact O-CG 3.26Å
55L87.2Confident85.2Confident120 Ų12092.9 Ų92.963%0.62845%0.445SS*.THydrogen-bonded Turntrans-83.2-19.7179.5-62.9-177.3000113.4W51 M52W51-L55 HydrophobicContact CE3-CD1 4.35Å; W51-L55 HydrophobicContact CH2-CD1 4.43Å; W51-L55 HydrophobicContact CZ3-CD1 3.61Å; W51-L55 HydrophobicContact CZ3-CG 4.44Å; M52-L55 PolarHBondContact O-N 2.65Å
56R83.6Confident85.5Confident131 Ų13189 Ų8949%0.49443%0.425SS..THydrogen-bonded Turntrans-112.522.1-174.7-59-62.1-172.4-144.60.9113.3I42 M52 K58 T59 I60I42-R56 HydrophobicContact CG2-CB 4.11Å; I42-R56 HydrophobicContact CG2-CG 4.04Å; M52-R56 PolarHBondContact O-N 2.96Å; M52-R56 VanDerWaalsContact O-N 3.08Å; R56-K58 VanDerWaalsContact C-N 3.33Å; R56-K58 PolarHBondContact O-N 3.36Å; R56-T59 PolarHBondContact O-N 3.19Å; R56-T59 VanDerWaalsContact O-N 3.11Å; R56-I60 HydrophobicContact CB-CD1 4.32Å; R56-I60 HydrophobicContact CB-CG1 4.47Å; R56-I60 WeakPolarHBondContact O-CG1 3.43Å; R56-I60 PolarHBondContact O-N 3.41Å
57R85.1Confident85.5Confident171 Ų17190.9 Ų90.965%0.64544%0.435SS*.Hα-helixtrans-50.6-46-176.5-73.4-180-178.1-166.60.6113.8K53 L54 I60 A61K53-R57 PolarHBondContact O-N 2.98Å; L54-R57 WeakPolarHBondContact O-CG 3.26Å; R57-I60 PolarHBondContact O-N 3.1Å; R57-A61 WeakPolarHBondContact O-CB 3.4Å; R57-A61 PolarHBondContact O-N 3.47Å
58K85.7Confident85.8Confident164 Ų16490.5 Ų90.571%0.71343%0.429SS*.Hα-helixtrans-60.6-50.7178.9-176.8178.8177.5-177.10111.1R56 I60 A61 D62R56-K58 VanDerWaalsContact C-N 3.33Å; R56-K58 PolarHBondContact O-N 3.36Å; K58-I60 VanDerWaalsContact C-N 3.33Å; K58-I60 PolarHBondContact O-N 2.98Å; K58-A61 WeakPolarHBondContact O-CB 3.47Å; K58-A61 PolarHBondContact O-N 2.99Å; K58-A61 VanDerWaalsContact O-N 3.12Å; K58-D62 PolarHBondContact O-N 3.17Å
59T83Confident86.1Confident49 Ų4989.3 Ų89.330%0.30141%0.413SS..Hα-helixtrans-63.6-40.1179.9-44.60000112.1I42 R56 A61 D62 I63I42-T59 HydrophobicContact CD1-CG2 3.24Å; R56-T59 PolarHBondContact O-N 3.19Å; R56-T59 VanDerWaalsContact O-N 3.11Å; T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 2.95Å; T59-D62 PolarHBondContact O-N 3.15Å; T59-I63 HydrophobicContact CG2-CD1 3.98Å; T59-I63 HydrophobicContact CG2-CG1 4.49Å; T59-I63 WeakPolarHBondContact O-CB 3.39Å; T59-I63 WeakPolarHBondContact O-CD1 3.38Å; T59-I63 WeakPolarHBondContact O-CG1 3.49Å; T59-I63 PolarHBondContact O-N 2.59Å
60I83.6Confident86.1Confident34 Ų3485.8 Ų85.817%0.17440%0.397CS..Hα-helixtrans-62.2-40.6174.4-67.4168.6000111K53 R56 R57 K58 R64K53-I60 HydrophobicContact CB-CD1 3.85Å; K53-I60 HydrophobicContact CG-CD1 4Å; R56-I60 HydrophobicContact CB-CD1 4.32Å; R56-I60 HydrophobicContact CB-CG1 4.47Å; R56-I60 WeakPolarHBondContact O-CG1 3.43Å; R56-I60 PolarHBondContact O-N 3.41Å; R57-I60 PolarHBondContact O-N 3.1Å; K58-I60 VanDerWaalsContact C-N 3.33Å; K58-I60 PolarHBondContact O-N 2.98Å; I60-R64 WeakPolarHBondContact O-CB 3.28Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.38Å; I60-R64 PolarHBondContact O-N 3.07Å
61A86.6Confident86.1Confident46 Ų4685.2 Ų85.238%0.3839%0.385SS..Hα-helixtrans-66.3-39.5176.400000112.2R57 K58 T59 R64 R65R57-A61 WeakPolarHBondContact O-CB 3.4Å; R57-A61 PolarHBondContact O-N 3.47Å; K58-A61 WeakPolarHBondContact O-CB 3.47Å; K58-A61 PolarHBondContact O-N 2.99Å; K58-A61 VanDerWaalsContact O-N 3.12Å; T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 2.95Å; A61-R64 PolarHBondContact O-N 3.17Å; A61-R65 PolarHBondContact O-N 2.8Å
62D84.1Confident86.2Confident42 Ų4282.9 Ų82.923%0.22538%0.384CS..Hα-helixtrans-66.8-43.3176.2-66.3-31.4000111.2K58 T59 R64 R65 V66K58-D62 PolarHBondContact O-N 3.17Å; T59-D62 PolarHBondContact O-N 3.15Å; D62-R64 PolarHBondContact O-N 2.93Å; D62-R65 PolarHBondContact O-N 3.24Å; D62-R65 IonicContact OD1-CZ 2.97Å; D62-R65 IonicContact OD1-NH1 2.59Å; D62-R65 PolarHBondContact OD1-NH1 3.32Å; D62-R65 IonicContact OD1-NH2 3.24Å; D62-V66 WeakPolarHBondContact O-CG2 3.5Å; D62-V66 PolarHBondContact O-N 3.18Å; D62-V66 VanDerWaalsContact O-N 3.1Å
63I82.4Confident86.3Confident15 Ų1581.5 Ų81.58%0.07738%0.377CS..Hα-helixtrans-57.9-47.7172.8-69.9158.1000110.9M39 T59 R65 V66 N67M39-I63 HydrophobicContact CB-CD1 4.02Å; M39-I63 HydrophobicContact CB-CG1 4.08Å; M39-I63 HydrophobicContact CB-CG2 3.74Å; M39-I63 HydrophobicContact CG-CG2 3.68Å; M39-I63 HydrophobicContact SD-CG2 3.8Å; T59-I63 HydrophobicContact CG2-CD1 3.98Å; T59-I63 HydrophobicContact CG2-CG1 4.49Å; T59-I63 WeakPolarHBondContact O-CB 3.39Å; T59-I63 WeakPolarHBondContact O-CD1 3.38Å; T59-I63 WeakPolarHBondContact O-CG1 3.49Å; T59-I63 PolarHBondContact O-N 2.59Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.98Å; I63-V66 PolarHBondContact O-N 3.37Å; I63-N67 PolarHBondContact O-N 2.82Å
64R85.4Confident86.6Confident161 Ų16176.9 Ų76.961%0.60836%0.357SS*.Hα-helixtrans-58.4-44.9178.1-77.7176.6-179.2-170.4-2.5111.8I60 A61 D62 V66 N67 E68I60-R64 WeakPolarHBondContact O-CB 3.28Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.38Å; I60-R64 PolarHBondContact O-N 3.07Å; A61-R64 PolarHBondContact O-N 3.17Å; D62-R64 PolarHBondContact O-N 2.93Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 PolarHBondContact O-N 3.12Å; R64-N67 PolarHBondContact O-N 2.94Å; R64-E68 WeakPolarHBondContact O-CB 3.29Å; R64-E68 VanDerWaalsContact O-CG 3.3Å; R64-E68 WeakPolarHBondContact O-CG 3.13Å; R64-E68 PolarHBondContact O-N 2.7Å
65R87.3Confident86.8Confident129 Ų12974.6 Ų74.649%0.48735%0.345SS..Hα-helixtrans-60.3-38177.8-169.8-172-62.6119.63.8112.2A61 D62 I63 K69A61-R65 PolarHBondContact O-N 2.8Å; D62-R65 PolarHBondContact O-N 3.24Å; D62-R65 IonicContact OD1-CZ 2.97Å; D62-R65 IonicContact OD1-NH1 2.59Å; D62-R65 PolarHBondContact OD1-NH1 3.32Å; D62-R65 IonicContact OD1-NH2 3.24Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.98Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å; R65-K69 PolarHBondContact O-N 3.1Å
66V83.7Confident87.1Confident11 Ų1172.5 Ų72.57%0.06733%0.332CS..Hα-helixtrans-71.8-41.7177.41780000111.1E35 M36 D62 I63 R64 K69 F70E35-V66 HydrophobicContact CB-CG2 4.12Å; M36-V66 HydrophobicContact CG-CG1 3.54Å; M36-V66 HydrophobicContact SD-CG1 4.06Å; D62-V66 WeakPolarHBondContact O-CG2 3.5Å; D62-V66 PolarHBondContact O-N 3.18Å; D62-V66 VanDerWaalsContact O-N 3.1Å; I63-V66 PolarHBondContact O-N 3.37Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 PolarHBondContact O-N 3.12Å; V66-K69 PolarHBondContact O-N 2.98Å; V66-F70 PolarHBondContact O-N 2.81Å
67N84.5Confident87.6Confident48 Ų4867.2 Ų67.226%0.25731%0.312SS..Hα-helixtrans-62.4-43.8175.1-72-6.7000111.5I63 R64 K69 F70 D71I63-N67 PolarHBondContact O-N 2.82Å; R64-N67 PolarHBondContact O-N 2.94Å; N67-K69 VanDerWaalsContact C-N 3.31Å; N67-K69 PolarHBondContact O-N 2.68Å; N67-F70 CarbonylContact O-C 3.58Å; N67-F70 WeakPolarHBondContact O-CB 3.32Å; N67-F70 PolarHBondContact O-N 2.73Å; N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.4Å
68E89.2Confident87.9Confident112 Ų11259 Ų5952%0.52328%0.282SS..Hα-helixtrans-56-44.1175.4-74.7163.7-171.100111.7R64 F70 D71 D72R64-E68 WeakPolarHBondContact O-CB 3.29Å; R64-E68 VanDerWaalsContact O-CG 3.3Å; R64-E68 WeakPolarHBondContact O-CG 3.13Å; R64-E68 PolarHBondContact O-N 2.7Å; E68-F70 VanDerWaalsContact C-N 3.35Å; E68-F70 PolarHBondContact O-N 2.82Å; E68-D71 PolarHBondContact O-N 3.43Å; E68-D72 WeakPolarHBondContact O-CB 3Å; E68-D72 PolarHBondContact O-N 2.8Å
69K88.5Confident88.1Confident75 Ų7554.1 Ų54.133%0.32626%0.263SS..Hα-helixtrans-63.4-39175.3-70.5178.2-176.8-173.90113E28 R65 V66 N67 F73E28-K69 IonicContact OE1-NZ 2.65Å; E28-K69 PolarHBondContact OE1-NZ 2.87Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å; R65-K69 PolarHBondContact O-N 3.1Å; V66-K69 PolarHBondContact O-N 2.98Å; N67-K69 VanDerWaalsContact C-N 3.31Å; N67-K69 PolarHBondContact O-N 2.68Å; K69-F73 WeakPolarHBondContact O-CB 3.49Å; K69-F73 PolarHBondContact O-N 3.19Å; K69-F73 VanDerWaalsContact O-N 3.1Å
70F87.8Confident88.5Confident30 Ų3054.5 Ų54.513%0.13226%0.263CS..Hα-helixtrans-68.2-44.4177.1-179.6-100.7000111.1I29 V66 N67 E68 F73 V74 M119 F122I29-F70 HydrophobicContact CD1-CD2 4.31Å; I29-F70 HydrophobicContact CG2-CD2 4.02Å; V66-F70 PolarHBondContact O-N 2.81Å; N67-F70 CarbonylContact O-C 3.58Å; N67-F70 WeakPolarHBondContact O-CB 3.32Å; N67-F70 PolarHBondContact O-N 2.73Å; E68-F70 VanDerWaalsContact C-N 3.35Å; E68-F70 PolarHBondContact O-N 2.82Å; F70-F73 WeakPolarHBondContact O-CB 3.45Å; F70-F73 PolarHBondContact O-N 2.96Å; F70-V74 HydrophobicContact CD1-CG2 4.39Å; F70-V74 HydrophobicContact CE1-CG2 4.03Å; F70-V74 HydrophobicContact CE2-CG2 4.25Å; F70-V74 HydrophobicContact CZ-CG2 3.96Å; F70-V74 WeakPolarHBondContact O-CG2 3.24Å; F70-V74 PolarHBondContact O-N 3.49Å; F70-M119 HydrophobicContact CE1-CB 4.08Å; F70-M119 HydrophobicContact CE1-CG 4.3Å; F70-F122 AromaticContact CE2-CD1 3.59Å; F70-F122 HydrophobicContact CE2-CD1 3.59Å; F70-F122 AromaticContact CE2-CE1 3.91Å; F70-F122 HydrophobicContact CE2-CE1 3.91Å; F70-F122 AromaticContact CZ-CD1 3.74Å; F70-F122 HydrophobicContact CZ-CD1 3.74Å
71D89Confident88.8Confident56 Ų5653.6 Ų53.630%0.29926%0.258SS..Hα-helixtrans-61.7-50.2178.9-66.4-11.2000109.9N67 E68 F73 V74 I75 M119N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.4Å; E68-D71 PolarHBondContact O-N 3.43Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.29Å; D71-V74 PolarHBondContact O-N 2.91Å; D71-V74 VanDerWaalsContact O-N 3.14Å; D71-I75 HydrophobicContact CB-CD1 4.46Å; D71-I75 WeakPolarHBondContact O-CB 3.44Å; D71-I75 VanDerWaalsContact O-CG1 3.23Å; D71-I75 WeakPolarHBondContact O-CG1 3.4Å; D71-I75 PolarHBondContact O-N 3.17Å; D71-M119 HydrophobicContact CB-CE 3.92Å
72D91.6Very high88.8Confident108 Ų10853.2 Ų53.258%0.57825%0.249SC*.Hα-helixtrans-56.9-42.6175.9-74.9-15.2000111.9E68 Q76E68-D72 WeakPolarHBondContact O-CB 3Å; E68-D72 PolarHBondContact O-N 2.8Å; D72-Q76 WeakPolarHBondContact O-CB 3.4Å; D72-Q76 PolarHBondContact O-N 3.45Å; D72-Q76 VanDerWaalsContact O-N 3.09Å
73F91.7Very high88.9Confident3 Ų358 Ų581%0.01327%0.27CS..Hα-helixtrans-61.3-49.1176.6174.3-91.9000111.1F19 D23 R25 L26 I29 K69 F70 D71 K77 F122F19-F73 HydrophobicContact CD2-CZ 4.4Å; F19-F73 HydrophobicContact CE2-CE1 4.1Å; F19-F73 AromaticContact CE2-CZ 3.94Å; F19-F73 HydrophobicContact CE2-CZ 3.94Å; D23-F73 HydrophobicContact CB-CE2 4.49Å; R25-F73 HydrophobicContact CB-CD2 4.17Å; L26-F73 HydrophobicContact CD1-CE2 4.42Å; L26-F73 HydrophobicContact CD1-CZ 3.88Å; L26-F73 HydrophobicContact CD2-CD1 4.12Å; L26-F73 HydrophobicContact CD2-CE1 3.5Å; L26-F73 VanDerWaalsContact CD2-CE1 3.5Å; L26-F73 HydrophobicContact CD2-CE2 4.01Å; L26-F73 HydrophobicContact CD2-CZ 3.43Å; L26-F73 VanDerWaalsContact CD2-CZ 3.43Å; L26-F73 HydrophobicContact CG-CE1 4.15Å; L26-F73 HydrophobicContact CG-CE2 3.79Å; L26-F73 HydrophobicContact CG-CZ 3.53Å; I29-F73 HydrophobicContact CD1-CB 3.96Å; I29-F73 HydrophobicContact CD1-CG 4.17Å; K69-F73 WeakPolarHBondContact O-CB 3.49Å; K69-F73 PolarHBondContact O-N 3.19Å; K69-F73 VanDerWaalsContact O-N 3.1Å; F70-F73 WeakPolarHBondContact O-CB 3.45Å; F70-F73 PolarHBondContact O-N 2.96Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.29Å; F73-K77 HydrophobicContact CE1-CG 4.12Å; F73-K77 HydrophobicContact CZ-CG 4.13Å; F73-K77 VanDerWaalsContact O-CG 3.3Å; F73-K77 WeakPolarHBondContact O-CG 3.38Å; F73-K77 PolarHBondContact O-N 2.91Å; F73-F122 HydrophobicContact CE1-CE1 4.17Å; F73-F122 HydrophobicContact CE1-CZ 4.46Å
74V91.2Very high89Confident0 Ų062.7 Ų62.70%029%0.287CS..Hα-helixtrans-70.1-44.7-177174.50000111.6F14 F70 D71 Q76 K77 V78 A118 M119 F122F14-V74 HydrophobicContact CE1-CG1 3.78Å; F14-V74 HydrophobicContact CZ-CB 4.4Å; F14-V74 HydrophobicContact CZ-CG1 3.86Å; F14-V74 HydrophobicContact CZ-CG2 4.06Å; F70-V74 HydrophobicContact CD1-CG2 4.39Å; F70-V74 HydrophobicContact CE1-CG2 4.03Å; F70-V74 HydrophobicContact CE2-CG2 4.25Å; F70-V74 HydrophobicContact CZ-CG2 3.96Å; F70-V74 WeakPolarHBondContact O-CG2 3.24Å; F70-V74 PolarHBondContact O-N 3.49Å; D71-V74 PolarHBondContact O-N 2.91Å; D71-V74 VanDerWaalsContact O-N 3.14Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.46Å; V74-K77 WeakPolarHBondContact O-CB 3.25Å; V74-K77 PolarHBondContact O-N 2.89Å; V74-V78 HydrophobicContact CG1-CG2 4.17Å; V74-V78 WeakPolarHBondContact O-CG2 3.42Å; V74-V78 PolarHBondContact O-N 3.05Å; V74-A118 HydrophobicContact CG1-CB 4.26Å; V74-M119 HydrophobicContact CB-CE 4.13Å; V74-M119 HydrophobicContact CB-CG 3.59Å; V74-M119 HydrophobicContact CG1-CB 4.23Å; V74-M119 HydrophobicContact CG1-CE 4.24Å; V74-M119 HydrophobicContact CG1-CG 3.31Å; V74-M119 HydrophobicContact CG2-CG 3.96Å; V74-F122 HydrophobicContact CG2-CD1 4.34Å
75I92Very high88.6Confident62 Ų6265.3 Ų65.332%0.31830%0.296SS..Hα-helixtrans-54.9-50.3177.1-71.1166.3000109.6D71 K77 V78 D79 C115 M119D71-I75 HydrophobicContact CB-CD1 4.46Å; D71-I75 WeakPolarHBondContact O-CB 3.44Å; D71-I75 VanDerWaalsContact O-CG1 3.23Å; D71-I75 WeakPolarHBondContact O-CG1 3.4Å; D71-I75 PolarHBondContact O-N 3.17Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.47Å; I75-V78 PolarHBondContact O-N 3.42Å; I75-D79 WeakPolarHBondContact CG2-OD2 3.28Å; I75-D79 WeakPolarHBondContact O-CB 3.44Å; I75-D79 PolarHBondContact O-N 3.11Å; I75-C115 HydrophobicContact CG1-CB 4.43Å; I75-M119 HydrophobicContact CD1-CE 3.9Å; I75-M119 HydrophobicContact CG1-CE 3.46Å; I75-M119 VanDerWaalsContact CG1-CE 3.46Å
76Q93Very high88Confident76 Ų7661.3 Ų61.336%0.35529%0.288SS..Hα-helixtrans-58-39.6178.2-168.4-16136.400112.3D72 V74 N80D72-Q76 WeakPolarHBondContact O-CB 3.4Å; D72-Q76 PolarHBondContact O-N 3.45Å; D72-Q76 VanDerWaalsContact O-N 3.09Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.46Å; Q76-N80 VanDerWaalsContact O-CB 3.31Å; Q76-N80 WeakPolarHBondContact O-CB 3.17Å; Q76-N80 PolarHBondContact O-N 3.37Å; Q76-N80 PolarHBondContact O-ND2 3.26Å; Q76-N80 PolarHBondContact O-OD1 3.49Å
77K93Very high87.7Confident19 Ų1966.9 Ų66.98%0.08332%0.322CS..Hα-helixtrans-67-41.4177.2-65.8-62-179.4-1760111.6F14 N18 D23 F73 V74 I75 R81F14-K77 HydrophobicContact CB-CB 4.28Å; F14-K77 HydrophobicContact CD1-CB 3.49Å; F14-K77 VanDerWaalsContact CD1-CB 3.49Å; F14-K77 HydrophobicContact CD1-CG 4.43Å; F14-K77 HydrophobicContact CD2-CB 4.49Å; F14-K77 HydrophobicContact CE1-CB 3.9Å; F14-K77 HydrophobicContact CG-CB 3.83Å; F14-K77 HydrophobicContact CG-CG 4.38Å; N18-K77 PolarHBondContact ND2-O 3.11Å; N18-K77 WeakPolarHBondContact O-CD 3.43Å; N18-K77 WeakPolarHBondContact O-CE 3.36Å; N18-K77 PolarHBondContact O-NZ 3.09Å; D23-K77 IonicContact OD2-NZ 3.64Å; F73-K77 HydrophobicContact CE1-CG 4.12Å; F73-K77 HydrophobicContact CZ-CG 4.13Å; F73-K77 VanDerWaalsContact O-CG 3.3Å; F73-K77 WeakPolarHBondContact O-CG 3.38Å; F73-K77 PolarHBondContact O-N 2.91Å; V74-K77 WeakPolarHBondContact O-CB 3.25Å; V74-K77 PolarHBondContact O-N 2.89Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.47Å; K77-R81 PolarHBondContact O-N 3.47Å
78V91.7Very high87.8Confident0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-64-48.4176.7173.80000110.2F14 V74 I75 N80 R81 I82 V93 T114 A118F14-V78 HydrophobicContact CD1-CG2 4.45Å; F14-V78 HydrophobicContact CE1-CG2 4.14Å; V74-V78 HydrophobicContact CG1-CG2 4.17Å; V74-V78 WeakPolarHBondContact O-CG2 3.42Å; V74-V78 PolarHBondContact O-N 3.05Å; I75-V78 PolarHBondContact O-N 3.42Å; V78-N80 PolarHBondContact O-N 3.22Å; V78-R81 WeakPolarHBondContact O-CB 3.37Å; V78-R81 PolarHBondContact O-N 2.95Å; V78-R81 VanDerWaalsContact O-N 3.09Å; V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 HydrophobicContact CG1-CG1 4.24Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.11Å; V78-V93 HydrophobicContact CG1-CG1 4.18Å; V78-V93 HydrophobicContact CG2-CG2 3.93Å; V78-T114 HydrophobicContact CG1-CG2 3.92Å; V78-A118 HydrophobicContact CG2-CB 3.82Å
79D90.8Very high87.8Confident61 Ų6170 Ų7033%0.32634%0.342SS..Hα-helixtrans-59.7-49.4179-70.7-19.5000112I75 R81 I82 E83I75-D79 WeakPolarHBondContact CG2-OD2 3.28Å; I75-D79 WeakPolarHBondContact O-CB 3.44Å; I75-D79 PolarHBondContact O-N 3.11Å; D79-R81 PolarHBondContact O-N 3.23Å; D79-I82 WeakPolarHBondContact O-CA 3.47Å; D79-I82 WeakPolarHBondContact O-CB 3.44Å; D79-I82 PolarHBondContact O-N 3.02Å; D79-E83 WeakPolarHBondContact O-CG 3.25Å; D79-E83 PolarHBondContact O-N 3.37Å
80N91.4Very high87.9Confident56 Ų5668.9 Ų68.930%0.29935%0.347SS..Hα-helixtrans-56.9-35.4176.1-73.5-12.2000112.3Q76 V78 R84Q76-N80 VanDerWaalsContact O-CB 3.31Å; Q76-N80 WeakPolarHBondContact O-CB 3.17Å; Q76-N80 PolarHBondContact O-N 3.37Å; Q76-N80 PolarHBondContact O-ND2 3.26Å; Q76-N80 PolarHBondContact O-OD1 3.49Å; V78-N80 PolarHBondContact O-N 3.22Å; N80-R84 WeakPolarHBondContact O-CG 3.4Å
81R89.7Confident88.1Confident16 Ų1667.9 Ų67.96%0.0634%0.343CS..Hα-helixtrans-75.1-38.3176.3-172.266.2-172160.88.5111.1K77 V78 D79 R84 V93 D94 R97K77-R81 PolarHBondContact O-N 3.47Å; V78-R81 WeakPolarHBondContact O-CB 3.37Å; V78-R81 PolarHBondContact O-N 2.95Å; V78-R81 VanDerWaalsContact O-N 3.09Å; D79-R81 PolarHBondContact O-N 3.23Å; R81-R84 PolarHBondContact O-N 3.49Å; R81-V93 HydrophobicContact CB-CG1 4.01Å; R81-V93 HydrophobicContact CG-CB 4.23Å; R81-V93 HydrophobicContact CG-CG1 3.87Å; R81-D94 WeakPolarHBondContact CG-OD1 3.31Å; R81-D94 IonicContact CZ-OD1 3.74Å; R81-D94 IonicContact CZ-OD2 3.41Å; R81-D94 VanDerWaalsContact CZ-OD2 3.24Å; R81-D94 VanDerWaalsContact NE-CG 3.31Å; R81-D94 IonicContact NE-OD1 3.85Å; R81-D94 PolarHBondContact NE-OD1 3.4Å; R81-D94 IonicContact NE-OD2 3.46Å; R81-D94 PolarHBondContact NE-OD2 2.8Å; R81-D94 IonicContact NH2-OD1 3.74Å; R81-D94 PolarHBondContact NH2-OD1 2.66Å; R81-D94 IonicContact NH2-OD2 2.85Å; R81-D94 PolarHBondContact NH2-OD2 2.89Å; R81-R97 PolarHBondContact O-NH1 2.91Å
82I86.2Confident88.3Confident38 Ų3868.1 Ų68.120%0.19534%0.344CS..Hα-helixtrans-60.3-48.3177.3-73.2170.1000111.1V78 D79 R84 R85 R97 V111V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 HydrophobicContact CG1-CG1 4.24Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.11Å; D79-I82 WeakPolarHBondContact O-CA 3.47Å; D79-I82 WeakPolarHBondContact O-CB 3.44Å; D79-I82 PolarHBondContact O-N 3.02Å; I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 2.8Å; I82-R85 PolarHBondContact O-N 3.12Å; I82-R97 VanDerWaalsContact CA-NH1 3.34Å; I82-R97 HydrophobicContact CG1-CG 4.41Å; I82-R97 PolarHBondContact O-NH1 3.42Å; I82-R97 PolarHBondContact O-NH2 3.24Å; I82-V111 HydrophobicContact CD1-CG1 4.39Å
83E87.3Confident88.3Confident142 Ų14263 Ų6366%0.66432%0.316SS*.Hα-helixtrans-61.6-31.2-177.8-74.7-177.3170.600113.6D79 R85D79-E83 WeakPolarHBondContact O-CG 3.25Å; D79-E83 PolarHBondContact O-N 3.37Å; E83-R85 PolarHBondContact O-N 3.03Å; E83-R85 VanDerWaalsContact O-N 3.1Å
84R84.9Confident88.3Confident114 Ų11463 Ų6343%0.4332%0.317SS..THydrogen-bonded Turntrans-64.1-14.6177.8-76.3179.3-176.3-1766.2114E17 N80 R81 I82 S86E17-R84 IonicContact OE2-CZ 2.79Å; E17-R84 IonicContact OE2-NH1 3.58Å; E17-R84 PolarHBondContact OE2-NH1 3.46Å; E17-R84 VanDerWaalsContact OE2-NH1 3.1Å; N80-R84 WeakPolarHBondContact O-CG 3.4Å; R81-R84 PolarHBondContact O-N 3.49Å; I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 2.8Å; R84-S86 PolarHBondContact O-N 3.42Å
85R75.2Confident88.3Confident215 Ų21564.6 Ų64.681%0.81133%0.33SS*.  trans46.536177.6-65.5-178.9178.8-173.1-0.1113.9I82 E83I82-R85 PolarHBondContact O-N 3.12Å; E83-R85 PolarHBondContact O-N 3.03Å; E83-R85 VanDerWaalsContact O-N 3.1Å
86S74.9Confident88.1Confident46 Ų4663 Ų6332%0.32232%0.322SS..  trans-66.9137177.1-172.50000110R84 D88R84-S86 PolarHBondContact O-N 3.42Å; S86-D88 VanDerWaalsContact C-N 3.35Å; S86-D88 PolarHBondContact OG-N 3.33Å
87T77.4Confident87.7Confident127 Ų12761.4 Ų61.478%0.77931%0.313SS*.SBendtrans-84.2-15.6172.949.80000112.5
88D86.4Confident87.3Confident115 Ų11562.2 Ų62.262%0.61532%0.32SS*.SBendtrans-92.1134.1-175.7-60.5-22.9000110.2S86 A90S86-D88 VanDerWaalsContact C-N 3.35Å; S86-D88 PolarHBondContact OG-N 3.33Å; D88-A90 PolarHBondContact O-N 2.94Å; D88-A90 VanDerWaalsContact O-N 3.1Å
89I89.5Confident86.9Confident111 Ų11166 Ų6657%0.56934%0.343SS*.  trans-78.695.2174.5-58.4175.4000108.2D94 A95 C98I89-D94 HydrophobicContact CB-CB 4.48Å; I89-D94 HydrophobicContact CG2-CB 4.31Å; I89-A95 HydrophobicContact CG2-CB 3.85Å; I89-C98 HydrophobicContact CD1-CB 4.38Å
90A90.4Very high86.2Confident52 Ų5264 Ų6443%0.4334%0.335SS..  trans-101.9-15.2178.600000113D88 D94D88-A90 PolarHBondContact O-N 2.94Å; D88-A90 VanDerWaalsContact O-N 3.1Å; A90-D94 PolarHBondContact N-OD2 3.41Å
91C93.2Very high85.4Confident8 Ų868 Ų685%0.05435%0.352CS..SBendtrans-153.6175.4-179.471.70000112.8L12 I13 F14 G15 V93 D94 A95L12-C91 CarbonylContact O-C 3.56Å; L12-C91 VanDerWaalsContact O-CA 3.28Å; L12-C91 WeakPolarHBondContact O-CA 3.28Å; L12-C91 VanDerWaalsContact O-CB 3.25Å; L12-C91 WeakPolarHBondContact O-CB 3.38Å; I13-C91 WeakPolarHBondContact O-CB 3.25Å; I13-C91 PolarHBondContact O-SG 3.18Å; F14-C91 VanDerWaalsContact C-SG 3.58Å; G15-C91 VanDerWaalsContact N-CB 3.29Å; C91-V93 VanDerWaalsContact C-N 3.32Å; C91-V93 PolarHBondContact O-N 2.82Å; C91-D94 PolarHBondContact N-OD2 2.99Å; C91-D94 PolarHBondContact O-N 2.97Å; C91-D94 PolarHBondContact SG-OD2 2.89Å; C91-D94 VanDerWaalsContact SG-OD2 3.39Å; C91-A95 PolarHBondContact O-N 3.46Å; C91-A95 VanDerWaalsContact O-N 3.15Å
92L93Very high84.6Confident61 Ų6175.8 Ų75.832%0.31939%0.386SS..Hα-helixtrans-59.4-41.1178.9-177.360.1000112.3L12 I13 D94 A95 L96 A121L12-L92 PolarHBondContact O-N 3.08Å; I13-L92 HydrophobicContact CG1-CB 4.48Å; I13-L92 HydrophobicContact CG1-CD2 4.22Å; I13-L92 PolarHBondContact O-N 2.72Å; L92-D94 VanDerWaalsContact C-N 3.28Å; L92-D94 PolarHBondContact O-N 3.01Å; L92-A95 WeakPolarHBondContact O-CB 3.33Å; L92-A95 PolarHBondContact O-N 3.44Å; L92-A95 VanDerWaalsContact O-N 3.13Å; L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 HydrophobicContact CD1-CG 4.15Å; L92-L96 HydrophobicContact CD2-CD1 4.46Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.16Å; L92-L96 WeakPolarHBondContact O-CG 3.29Å; L92-L96 PolarHBondContact O-N 2.99Å; L92-A121 HydrophobicContact CD2-CB 3.58Å
93V92.4Very high83.6Confident0 Ų080.7 Ų80.70%041%0.408CS..Hα-helixtrans-58.2-41177.7170.80000111.3I13 F14 V78 R81 C91 L96 R97 T114 A118I13-V93 WeakPolarHBondContact O-CG2 3.45Å; I13-V93 PolarHBondContact O-N 2.91Å; I13-V93 VanDerWaalsContact O-N 3.1Å; F14-V93 HydrophobicContact CD1-CG2 4.2Å; V78-V93 HydrophobicContact CG1-CG1 4.18Å; V78-V93 HydrophobicContact CG2-CG2 3.93Å; R81-V93 HydrophobicContact CB-CG1 4.01Å; R81-V93 HydrophobicContact CG-CB 4.23Å; R81-V93 HydrophobicContact CG-CG1 3.87Å; C91-V93 VanDerWaalsContact C-N 3.32Å; C91-V93 PolarHBondContact O-N 2.82Å; V93-L96 PolarHBondContact O-N 3.46Å; V93-R97 VanDerWaalsContact O-CG 3.26Å; V93-R97 WeakPolarHBondContact O-CG 3.32Å; V93-R97 PolarHBondContact O-N 3.12Å; V93-R97 VanDerWaalsContact O-N 3.09Å; V93-T114 HydrophobicContact CG1-CG2 4.12Å; V93-A118 HydrophobicContact CG2-CB 4.06Å
94D91.2Very high82.1Confident5 Ų581.8 Ų81.83%0.02741%0.413CS..Hα-helixtrans-65.5-43.8175.8-56.3-37.3000111.5R81 I89 A90 C91 L92 L96 R97 C98R81-D94 WeakPolarHBondContact CG-OD1 3.31Å; R81-D94 IonicContact CZ-OD1 3.74Å; R81-D94 IonicContact CZ-OD2 3.41Å; R81-D94 VanDerWaalsContact CZ-OD2 3.24Å; R81-D94 VanDerWaalsContact NE-CG 3.31Å; R81-D94 IonicContact NE-OD1 3.85Å; R81-D94 PolarHBondContact NE-OD1 3.4Å; R81-D94 IonicContact NE-OD2 3.46Å; R81-D94 PolarHBondContact NE-OD2 2.8Å; R81-D94 IonicContact NH2-OD1 3.74Å; R81-D94 PolarHBondContact NH2-OD1 2.66Å; R81-D94 IonicContact NH2-OD2 2.85Å; R81-D94 PolarHBondContact NH2-OD2 2.89Å; I89-D94 HydrophobicContact CB-CB 4.48Å; I89-D94 HydrophobicContact CG2-CB 4.31Å; A90-D94 PolarHBondContact N-OD2 3.41Å; C91-D94 PolarHBondContact N-OD2 2.99Å; C91-D94 PolarHBondContact O-N 2.97Å; C91-D94 PolarHBondContact SG-OD2 2.89Å; C91-D94 VanDerWaalsContact SG-OD2 3.39Å; L92-D94 VanDerWaalsContact C-N 3.28Å; L92-D94 PolarHBondContact O-N 3.01Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 3.12Å; D94-R97 PolarHBondContact O-N 3.2Å; D94-C98 PolarHBondContact O-N 3.18Å; D94-C98 PolarHBondContact O-SG 3.13Å; D94-C98 VanDerWaalsContact O-SG 3.32Å
95A90.9Very high80.5Confident33 Ų3381.7 Ų81.727%0.27343%0.427SS..Hα-helixtrans-60.9-43.9178.900000111.8I89 C91 L92 C98 V99I89-A95 HydrophobicContact CG2-CB 3.85Å; C91-A95 PolarHBondContact O-N 3.46Å; C91-A95 VanDerWaalsContact O-N 3.15Å; L92-A95 WeakPolarHBondContact O-CB 3.33Å; L92-A95 PolarHBondContact O-N 3.44Å; L92-A95 VanDerWaalsContact O-N 3.13Å; A95-C98 PolarHBondContact O-N 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 2.89Å
96L88.7Confident79.1Confident28 Ų2875.6 Ų75.615%0.14741%0.414CS..Hα-helixtrans-61.5-43.6177.1-71.5170.4000111.5L92 V93 D94 V99 A100 F113 T114 A117L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 HydrophobicContact CD1-CG 4.15Å; L92-L96 HydrophobicContact CD2-CD1 4.46Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.16Å; L92-L96 WeakPolarHBondContact O-CG 3.29Å; L92-L96 PolarHBondContact O-N 2.99Å; V93-L96 PolarHBondContact O-N 3.46Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 3.12Å; L96-V99 PolarHBondContact O-N 3.41Å; L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.16Å; L96-F113 HydrophobicContact CD2-CE1 4.1Å; L96-T114 HydrophobicContact CB-CG2 4.08Å; L96-T114 HydrophobicContact CD1-CG2 4.28Å; L96-A117 HydrophobicContact CD1-CB 3.74Å; L96-A117 HydrophobicContact CD2-CB 4.24Å
97R84.5Confident78Confident43 Ų4378.7 Ų78.716%0.16243%0.431CS..Hα-helixtrans-62.4-43.7175-69.4171.974.2-170.511.4112.3R81 I82 V93 D94 V99 A100 Q101 T114R81-R97 PolarHBondContact O-NH1 2.91Å; I82-R97 VanDerWaalsContact CA-NH1 3.34Å; I82-R97 HydrophobicContact CG1-CG 4.41Å; I82-R97 PolarHBondContact O-NH1 3.42Å; I82-R97 PolarHBondContact O-NH2 3.24Å; V93-R97 VanDerWaalsContact O-CG 3.26Å; V93-R97 WeakPolarHBondContact O-CG 3.32Å; V93-R97 PolarHBondContact O-N 3.12Å; V93-R97 VanDerWaalsContact O-N 3.09Å; D94-R97 PolarHBondContact O-N 3.2Å; R97-V99 VanDerWaalsContact C-N 3.25Å; R97-V99 PolarHBondContact O-N 3.15Å; R97-A100 PolarHBondContact O-N 2.8Å; R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.02Å; R97-T114 HydrophobicContact CG-CG2 4.45Å
98C84.2Confident76.8Confident36 Ų3680.5 Ų80.524%0.24343%0.431CS..Hα-helixtrans-62.5-33.6178.4-72.30000112.3I89 D94 A95 K102I89-C98 HydrophobicContact CD1-CB 4.38Å; D94-C98 PolarHBondContact O-N 3.18Å; D94-C98 PolarHBondContact O-SG 3.13Å; D94-C98 VanDerWaalsContact O-SG 3.32Å; A95-C98 PolarHBondContact O-N 3.3Å; C98-K102 WeakPolarHBondContact O-CG 3.22Å
99V82.2Confident75.5Confident80 Ų8078 Ų7849%0.48542%0.422SS..Hα-helixtrans-71.3-48.4174173.40000110.5A95 L96 R97 Q101 K102 E103A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 2.89Å; L96-V99 PolarHBondContact O-N 3.41Å; R97-V99 VanDerWaalsContact C-N 3.25Å; R97-V99 PolarHBondContact O-N 3.15Å; V99-Q101 PolarHBondContact O-N 2.84Å; V99-K102 PolarHBondContact O-N 2.96Å; V99-E103 PolarHBondContact O-N 3.29Å
100A77.4Confident74.3Confident17 Ų1774.8 Ų74.814%0.1441%0.407CS..Hα-helixtrans-60.3-27.7178.500000113.5L96 R97 D110L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.16Å; R97-A100 PolarHBondContact O-N 2.8Å; A100-D110 HydrophobicContact CB-CB 4.14Å
101Q73.7Confident73.3Confident141 Ų14175.7 Ų75.766%0.65941%0.406SS*.THydrogen-bonded Turntrans-77.4-23174.5-74.5175.4-8.900113.9R97 V99R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.02Å; V99-Q101 PolarHBondContact O-N 2.84Å
102K73.4Confident72.7Confident180 Ų18079 Ų7978%0.78342%0.423SS*.THydrogen-bonded Turntrans-87.1-34.2-178.3-74.8176.1-178.7-179.30112.3C98 V99C98-K102 WeakPolarHBondContact O-CG 3.22Å; V99-K102 PolarHBondContact O-N 2.96Å
103E65.3Low72.3Confident140 Ų14081.8 Ų81.865%0.65443%0.433SS*.SBendtrans-81.8124.2169.4-60.9-174.4170.500106.4V99V99-E103 PolarHBondContact O-N 3.29Å
104Q56Low72.1Confident165 Ų16582 Ų8277%0.77144%0.435SS*.  trans-40.4134.4-167.7-71.7170.7-10.100113.7T106Q104-T106 PolarHBondContact O-N 3.42Å; Q104-T106 PolarHBondContact O-OG1 3.1Å
105P50.1Low72Confident113 Ų11382.1 Ų82.173%0.73444%0.436SS*.  trans-66.6102.3-170.627.6-33.3000109.1
106T46.1Very low71.9Confident87 Ų8787.2 Ų87.253%0.53445%0.449SS..  trans-120.992.8176.246.40000108.5Q104 S109Q104-T106 PolarHBondContact O-N 3.42Å; Q104-T106 PolarHBondContact O-OG1 3.1Å; T106-S109 WeakPolarHBondContact O-CB 3.46Å
107T51.1Low72.1Confident111 Ų11187 Ų8768%0.68145%0.451SS*.SBendtrans74.2167.7156.369.40000117.7S109 D110T107-S109 PolarHBondContact O-N 3.35Å; T107-S109 WeakPolarHBondContact OG1-CB 3.31Å; T107-D110 PolarHBondContact O-N 3.29Å
108E52.6Low72.5Confident164 Ų16485 Ų8577%0.76644%0.444SS*.THydrogen-bonded Turntrans-40.3-18.7168.9-150.3168-16500114.4D110 N112E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-N 3.45Å; E108-N112 PolarHBondContact O-ND2 3.3Å; E108-N112 VanDerWaalsContact O-ND2 3.14Å
109S60.2Low72.8Confident63 Ų6383.9 Ų83.944%0.44144%0.435SS..Hα-helixtrans-40.3-45.6162.7166.50000114.7T106 T107 N112 F113T106-S109 WeakPolarHBondContact O-CB 3.46Å; T107-S109 PolarHBondContact O-N 3.35Å; T107-S109 WeakPolarHBondContact OG1-CB 3.31Å; S109-N112 PolarHBondContact O-N 2.89Å; S109-F113 WeakPolarHBondContact O-CB 3.32Å; S109-F113 PolarHBondContact O-N 3.18Å
110D63.8Low73.2Confident44 Ų4485.8 Ų85.824%0.23544%0.442CS..Hα-helixtrans-76.1-36.7-166.9-65.6-19.3000113.6A100 T107 E108 T114A100-D110 HydrophobicContact CB-CB 4.14Å; T107-D110 PolarHBondContact O-N 3.29Å; E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 PolarHBondContact O-N 3.48Å; D110-T114 PolarHBondContact O-N 3.29Å; D110-T114 PolarHBondContact O-OG1 3.28Å
111V68.5Low74Confident70 Ų7086.5 Ų86.542%0.42445%0.449SS..Hα-helixtrans-69.2-45.5175.3178.50000109.5I82 F113 T114 C115I82-V111 HydrophobicContact CD1-CG1 4.39Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 2.88Å; V111-T114 PolarHBondContact O-N 2.93Å; V111-C115 PolarHBondContact O-N 3.26Å; V111-C115 PolarHBondContact O-SG 2.98Å; V111-C115 VanDerWaalsContact O-SG 3.4Å
112N80.3Confident74.8Confident77 Ų7779.9 Ų79.941%0.41242%0.417SS..Hα-helixtrans-58.6-44.4175.3-74.2-34.2000111.4E108 S109 T114 C115 Y116E108-N112 PolarHBondContact O-N 3.45Å; E108-N112 PolarHBondContact O-ND2 3.3Å; E108-N112 VanDerWaalsContact O-ND2 3.14Å; S109-N112 PolarHBondContact O-N 2.89Å; N112-T114 PolarHBondContact O-N 3.4Å; N112-C115 PolarHBondContact O-N 2.89Å; N112-Y116 HydrophobicContact CB-CD2 4.41Å; N112-Y116 HydrophobicContact CB-CE2 4.11Å; N112-Y116 WeakPolarHBondContact O-CD2 3.35Å; N112-Y116 PolarHBondContact O-N 3.38Å
113F84.7Confident75.5Confident121 Ų12171.9 Ų71.953%0.53139%0.387SS..Hα-helixtrans-60.2-45.9175.5177.5-99.1000112.2L96 S109 V111 C115 Y116 A117L96-F113 HydrophobicContact CD2-CE1 4.1Å; S109-F113 WeakPolarHBondContact O-CB 3.32Å; S109-F113 PolarHBondContact O-N 3.18Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 2.88Å; F113-C115 VanDerWaalsContact C-N 3.31Å; F113-C115 PolarHBondContact O-N 3.18Å; F113-Y116 PolarHBondContact O-N 2.88Å; F113-A117 HydrophobicContact CE1-CB 4.41Å; F113-A117 HydrophobicContact CZ-CB 4.44Å; F113-A117 VanDerWaalsContact O-CB 3.23Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.83Å
114T88.2Confident76.7Confident4 Ų467.7 Ų67.73%0.02538%0.375CS..Hα-helixtrans-60.1-43.5178.2-58.10000111.2V78 V93 L96 R97 D110 V111 N112 A118V78-T114 HydrophobicContact CG1-CG2 3.92Å; V93-T114 HydrophobicContact CG1-CG2 4.12Å; L96-T114 HydrophobicContact CB-CG2 4.08Å; L96-T114 HydrophobicContact CD1-CG2 4.28Å; R97-T114 HydrophobicContact CG-CG2 4.45Å; D110-T114 PolarHBondContact O-N 3.29Å; D110-T114 PolarHBondContact O-OG1 3.28Å; V111-T114 PolarHBondContact O-N 2.93Å; N112-T114 PolarHBondContact O-N 3.4Å; T114-A118 VanDerWaalsContact O-CB 3.25Å; T114-A118 WeakPolarHBondContact O-CB 3.38Å; T114-A118 PolarHBondContact O-N 2.87Å
115C89.5Confident78.3Confident7 Ų760.7 Ų60.75%0.04735%0.348CS..Hα-helixtrans-60-54.7175.2-71.90000111.5I75 V111 N112 F113 A117 A118 M119I75-C115 HydrophobicContact CG1-CB 4.43Å; V111-C115 PolarHBondContact O-N 3.26Å; V111-C115 PolarHBondContact O-SG 2.98Å; V111-C115 VanDerWaalsContact O-SG 3.4Å; N112-C115 PolarHBondContact O-N 2.89Å; F113-C115 VanDerWaalsContact C-N 3.31Å; F113-C115 PolarHBondContact O-N 3.18Å; C115-A117 PolarHBondContact O-N 3.14Å; C115-A118 PolarHBondContact O-N 3.21Å; C115-M119 HydrophobicContact CB-CE 4.29Å; C115-M119 VanDerWaalsContact O-CG 3.24Å; C115-M119 WeakPolarHBondContact O-CG 3.42Å; C115-M119 PolarHBondContact O-N 2.94Å
116Y89.6Confident80.1Confident141 Ų14155.4 Ų55.455%0.55331%0.313SS*.Hα-helixtrans-62.5-41.8-179.3-68.2-54.6000112.8N112 F113 A118 M119 D120N112-Y116 HydrophobicContact CB-CD2 4.41Å; N112-Y116 HydrophobicContact CB-CE2 4.11Å; N112-Y116 WeakPolarHBondContact O-CD2 3.35Å; N112-Y116 PolarHBondContact O-N 3.38Å; F113-Y116 PolarHBondContact O-N 2.88Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 2.75Å; Y116-M119 HydrophobicContact CD1-SD 4Å; Y116-M119 HydrophobicContact CE1-SD 4.48Å; Y116-M119 WeakPolarHBondContact O-CB 3.5Å; Y116-M119 PolarHBondContact O-N 2.79Å; Y116-D120 WeakPolarHBondContact O-CB 2.99Å; Y116-D120 PolarHBondContact O-N 3.01Å
117A92.1Very high82Confident24 Ų2453.6 Ų53.620%0.19830%0.298CS..Hα-helixtrans-64.2-38.617700000112L96 F113 C115 A121L96-A117 HydrophobicContact CD1-CB 3.74Å; L96-A117 HydrophobicContact CD2-CB 4.24Å; F113-A117 HydrophobicContact CE1-CB 4.41Å; F113-A117 HydrophobicContact CZ-CB 4.44Å; F113-A117 VanDerWaalsContact O-CB 3.23Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.83Å; C115-A117 PolarHBondContact O-N 3.14Å; A117-A121 WeakPolarHBondContact O-CB 3.2Å; A117-A121 PolarHBondContact O-N 2.96Å
118A92.8Very high83.9Confident0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-68.7-40174.700000112.2I13 F14 V74 V78 V93 T114 C115 Y116 F122I13-A118 HydrophobicContact CG2-CB 3.99Å; F14-A118 HydrophobicContact CE1-CB 4.07Å; V74-A118 HydrophobicContact CG1-CB 4.26Å; V78-A118 HydrophobicContact CG2-CB 3.82Å; V93-A118 HydrophobicContact CG2-CB 4.06Å; T114-A118 VanDerWaalsContact O-CB 3.25Å; T114-A118 WeakPolarHBondContact O-CB 3.38Å; T114-A118 PolarHBondContact O-N 2.87Å; C115-A118 PolarHBondContact O-N 3.21Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 2.75Å; A118-F122 VanDerWaalsContact O-CB 3.25Å; A118-F122 WeakPolarHBondContact O-CB 3.45Å; A118-F122 PolarHBondContact O-N 3.13Å
119M91Very high85.8Confident12 Ų1242.1 Ų42.16%0.05924%0.24CC..Hα-helixtrans-59.1-53173.9-72.4172-17100111F70 D71 V74 I75 C115 Y116 A121 F122 G123F70-M119 HydrophobicContact CE1-CB 4.08Å; F70-M119 HydrophobicContact CE1-CG 4.3Å; D71-M119 HydrophobicContact CB-CE 3.92Å; V74-M119 HydrophobicContact CB-CE 4.13Å; V74-M119 HydrophobicContact CB-CG 3.59Å; V74-M119 HydrophobicContact CG1-CB 4.23Å; V74-M119 HydrophobicContact CG1-CE 4.24Å; V74-M119 HydrophobicContact CG1-CG 3.31Å; V74-M119 HydrophobicContact CG2-CG 3.96Å; I75-M119 HydrophobicContact CD1-CE 3.9Å; I75-M119 HydrophobicContact CG1-CE 3.46Å; I75-M119 VanDerWaalsContact CG1-CE 3.46Å; C115-M119 HydrophobicContact CB-CE 4.29Å; C115-M119 VanDerWaalsContact O-CG 3.24Å; C115-M119 WeakPolarHBondContact O-CG 3.42Å; C115-M119 PolarHBondContact O-N 2.94Å; Y116-M119 HydrophobicContact CD1-SD 4Å; Y116-M119 HydrophobicContact CE1-SD 4.48Å; Y116-M119 WeakPolarHBondContact O-CB 3.5Å; Y116-M119 PolarHBondContact O-N 2.79Å; M119-A121 PolarHBondContact O-N 3.05Å; M119-F122 PolarHBondContact O-N 3.25Å; M119-G123 PolarHBondContact O-N 2.69Å
120D90.7Very high87.3Confident120 Ų12040 Ų4064%0.64222%0.223SC*.Hα-helixtrans-59.3-48.2179.4-85.20.6000111.1Y116 F122 A124Y116-D120 WeakPolarHBondContact O-CB 2.99Å; Y116-D120 PolarHBondContact O-N 3.01Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.09Å; D120-A124 WeakPolarHBondContact O-CB 3.32Å; D120-A124 PolarHBondContact O-N 2.81Å
121A93.4Very high88.7Confident33 Ų3338 Ų3827%0.27321%0.213SC..Hα-helixtrans-61.2-39.7178.900000111.9I13 L92 A117 M119 G125I13-A121 VanDerWaalsContact CD1-C 3.43Å; I13-A121 HydrophobicContact CD1-CB 3.78Å; I13-A121 HydrophobicContact CG1-CB 4.35Å; L92-A121 HydrophobicContact CD2-CB 3.58Å; A117-A121 WeakPolarHBondContact O-CB 3.2Å; A117-A121 PolarHBondContact O-N 2.96Å; M119-A121 PolarHBondContact O-N 3.05Å; A121-G125 PolarHBondContact O-N 3.46Å
122F91.8Very high90Very high1 Ų135.1 Ų35.10%0.00420%0.195CC..Hα-helixtrans-70.4-53.8-179.5-174.2-120.3000110.4V9 I13 F14 F19 L26 F70 F73 V74 A118 M119 D120 A124 G125 L126V9-F122 HydrophobicContact CG1-CD2 4.06Å; I13-F122 HydrophobicContact CD1-CB 3.72Å; I13-F122 HydrophobicContact CD1-CD2 4.15Å; I13-F122 HydrophobicContact CD1-CG 4.45Å; I13-F122 VanDerWaalsContact CD1-N 3.28Å; F14-F122 HydrophobicContact CE2-CB 4.19Å; F14-F122 HydrophobicContact CE2-CD1 4.18Å; F14-F122 AromaticContact CE2-CD2 3.7Å; F14-F122 HydrophobicContact CE2-CD2 3.7Å; F14-F122 HydrophobicContact CE2-CE2 4.07Å; F14-F122 AromaticContact CE2-CG 3.78Å; F14-F122 HydrophobicContact CE2-CG 3.78Å; F14-F122 HydrophobicContact CE2-CZ 4.46Å; F14-F122 HydrophobicContact CZ-CB 4.12Å; F14-F122 HydrophobicContact CZ-CD1 4.44Å; F14-F122 HydrophobicContact CZ-CD2 4.46Å; F14-F122 HydrophobicContact CZ-CG 4.12Å; F19-F122 AromaticContact CE2-CE2 3.64Å; F19-F122 HydrophobicContact CE2-CE2 3.64Å; F19-F122 AromaticContact CE2-CZ 3.59Å; F19-F122 HydrophobicContact CE2-CZ 3.59Å; F19-F122 AromaticContact CZ-CE2 3.64Å; F19-F122 HydrophobicContact CZ-CE2 3.64Å; F19-F122 AromaticContact CZ-CZ 3.64Å; F19-F122 HydrophobicContact CZ-CZ 3.64Å; L26-F122 HydrophobicContact CD2-CE1 3.95Å; L26-F122 HydrophobicContact CD2-CZ 3.81Å; F70-F122 AromaticContact CE2-CD1 3.59Å; F70-F122 HydrophobicContact CE2-CD1 3.59Å; F70-F122 AromaticContact CE2-CE1 3.91Å; F70-F122 HydrophobicContact CE2-CE1 3.91Å; F70-F122 AromaticContact CZ-CD1 3.74Å; F70-F122 HydrophobicContact CZ-CD1 3.74Å; F73-F122 HydrophobicContact CE1-CE1 4.17Å; F73-F122 HydrophobicContact CE1-CZ 4.46Å; V74-F122 HydrophobicContact CG2-CD1 4.34Å; A118-F122 VanDerWaalsContact O-CB 3.25Å; A118-F122 WeakPolarHBondContact O-CB 3.45Å; A118-F122 PolarHBondContact O-N 3.13Å; M119-F122 PolarHBondContact O-N 3.25Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.09Å; F122-A124 PolarHBondContact O-N 3.06Å; F122-G125 PolarHBondContact O-N 2.8Å; F122-L126 HydrophobicContact CD1-CD1 3.98Å; F122-L126 HydrophobicContact CD2-CD1 4.01Å; F122-L126 HydrophobicContact CD2-CG 4.22Å; F122-L126 HydrophobicContact CE1-CD1 3.63Å; F122-L126 HydrophobicContact CE2-CD1 3.66Å; F122-L126 HydrophobicContact CE2-CD2 4.17Å; F122-L126 HydrophobicContact CE2-CG 4.09Å; F122-L126 HydrophobicContact CG-CD1 4.15Å; F122-L126 HydrophobicContact CZ-CD1 3.46Å; F122-L126 VanDerWaalsContact CZ-CD1 3.46Å; F122-L126 HydrophobicContact CZ-CG 4.38Å; F122-L126 WeakPolarHBondContact O-CB 3.42Å; F122-L126 WeakPolarHBondContact O-CG 3.25Å; F122-L126 PolarHBondContact O-N 3.42Å; F122-L126 VanDerWaalsContact O-N 3.08Å
123G87.5Confident90.7Very high13 Ų1331.6 Ų31.613%0.13418%0.177CC..Hα-helixtrans-57.2-52.1178.200000112.6M119 G125 L126 F127M119-G123 PolarHBondContact O-N 2.69Å; G123-G125 PolarHBondContact O-N 3.44Å; G123-L126 PolarHBondContact O-N 3.17Å; G123-F127 WeakPolarHBondContact O-CD2 3.44Å; G123-F127 PolarHBondContact O-N 3.25Å
124A90.4Very high91.2Very high51 Ų5128.7 Ų28.742%0.42116%0.164SC..Hα-helixtrans-63.5-41.3-178.900000112.4D120 F122 L126 T128D120-A124 WeakPolarHBondContact O-CB 3.32Å; D120-A124 PolarHBondContact O-N 2.81Å; F122-A124 PolarHBondContact O-N 3.06Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 2.74Å; A124-T128 PolarHBondContact O-OG1 2.99Å
125G90.1Very high91.6Very high18 Ų1828.5 Ų28.519%0.18616%0.163CC..Hα-helixtrans-66.9-29.7179.900000113.6A121 F122 G123 S129A121-G125 PolarHBondContact O-N 3.46Å; F122-G125 PolarHBondContact O-N 2.8Å; G123-G125 PolarHBondContact O-N 3.44Å; G125-S129 WeakPolarHBondContact O-CB 3.27Å; G125-S129 PolarHBondContact O-OG 3.46Å
126L87.3Confident91.9Very high3 Ų328.2 Ų28.22%0.01616%0.16CC..Hα-helixtrans-78.1-66.8-179.1-70.8178.4000113.1V6 V9 F30 F122 G123 A124 T128 S129 I130V6-L126 HydrophobicContact CB-CD2 4.14Å; V6-L126 HydrophobicContact CG1-CD2 4.48Å; V6-L126 HydrophobicContact CG2-CD2 3.84Å; V9-L126 HydrophobicContact CB-CD2 4.03Å; V9-L126 HydrophobicContact CG1-CD2 4.21Å; V9-L126 HydrophobicContact CG1-CG 4.4Å; V9-L126 HydrophobicContact CG2-CD2 4.47Å; F30-L126 HydrophobicContact CE1-CD1 4.22Å; F30-L126 HydrophobicContact CZ-CD1 3.79Å; F122-L126 HydrophobicContact CD1-CD1 3.98Å; F122-L126 HydrophobicContact CD2-CD1 4.01Å; F122-L126 HydrophobicContact CD2-CG 4.22Å; F122-L126 HydrophobicContact CE1-CD1 3.63Å; F122-L126 HydrophobicContact CE2-CD1 3.66Å; F122-L126 HydrophobicContact CE2-CD2 4.17Å; F122-L126 HydrophobicContact CE2-CG 4.09Å; F122-L126 HydrophobicContact CG-CD1 4.15Å; F122-L126 HydrophobicContact CZ-CD1 3.46Å; F122-L126 VanDerWaalsContact CZ-CD1 3.46Å; F122-L126 HydrophobicContact CZ-CG 4.38Å; F122-L126 WeakPolarHBondContact O-CB 3.42Å; F122-L126 WeakPolarHBondContact O-CG 3.25Å; F122-L126 PolarHBondContact O-N 3.42Å; F122-L126 VanDerWaalsContact O-N 3.08Å; G123-L126 PolarHBondContact O-N 3.17Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 2.74Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 3.26Å; L126-S129 PolarHBondContact O-N 3.07Å; L126-I130 WeakPolarHBondContact O-CB 3.12Å; L126-I130 VanDerWaalsContact O-CG1 3.32Å; L126-I130 WeakPolarHBondContact O-CG1 3.37Å; L126-I130 PolarHBondContact O-N 2.92Å
127F85.6Confident92.3Very high48 Ų4822 Ų2221%0.21114%0.137CC..Hα-helixtrans-63-41.3-167.1-63.3-67.2000111.9F30 T33 M36 G123 A131 F306F30-F127 HydrophobicContact CE1-CE1 4.49Å; T33-F127 HydrophobicContact CG2-CE1 4.43Å; M36-F127 HydrophobicContact CE-CE1 4.28Å; M36-F127 HydrophobicContact CE-CZ 3.74Å; M36-F127 HydrophobicContact SD-CZ 4.2Å; G123-F127 WeakPolarHBondContact O-CD2 3.44Å; G123-F127 PolarHBondContact O-N 3.25Å; F127-A131 WeakPolarHBondContact O-CB 3.27Å; F127-A131 PolarHBondContact O-N 3.33Å; F127-F306 HydrophobicContact CB-CD1 3.9Å; F127-F306 HydrophobicContact CB-CE1 4.3Å; F127-F306 HydrophobicContact CD2-CD1 4.47Å; F127-F306 HydrophobicContact CG-CD1 4.42Å
128T92.3Very high92.5Very high25 Ų2521 Ų2115%0.15313%0.128CC..Hα-helixtrans-70.1-42.1-17964.80000112.5A124 L126 A131 N132 L189 F306 T307A124-T128 PolarHBondContact O-OG1 2.99Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 3.26Å; T128-A131 PolarHBondContact O-N 3.09Å; T128-N132 PolarHBondContact O-N 2.89Å; T128-N132 PolarHBondContact O-ND2 3.39Å; T128-L189 HydrophobicContact CG2-CD1 4.4Å; T128-F306 HydrophobicContact CG2-CE1 4.17Å; T128-T307 HydrophobicContact CG2-CG2 4.13Å
129S92.8Very high92.7Very high10 Ų1021 Ų217%0.0713%0.128CC..Hα-helixtrans-66.8-42178.4-58.10000111.4G125 L126 N132 A133G125-S129 WeakPolarHBondContact O-CB 3.27Å; G125-S129 PolarHBondContact O-OG 3.46Å; L126-S129 PolarHBondContact O-N 3.07Å; S129-N132 PolarHBondContact O-N 3.21Å; S129-A133 WeakPolarHBondContact O-CB 3.47Å; S129-A133 PolarHBondContact O-N 3.4Å
130I91.4Very high93Very high19 Ų1920.4 Ų20.410%0.09713%0.125CC..Hα-helixtrans-61.6-45.9176-73.1169.7000110.8F2 F5 V6 L126 A133 K134F2-I130 HydrophobicContact CB-CD1 4.39Å; F2-I130 HydrophobicContact CD1-CB 4.38Å; F2-I130 HydrophobicContact CD1-CD1 4.42Å; F2-I130 HydrophobicContact CD1-CG1 4.19Å; F2-I130 HydrophobicContact CD1-CG2 3.42Å; F2-I130 VanDerWaalsContact CD1-CG2 3.42Å; F2-I130 HydrophobicContact CE1-CG2 3.63Å; F5-I130 HydrophobicContact CB-CG1 4.08Å; F5-I130 HydrophobicContact CG-CG1 4.42Å; V6-I130 HydrophobicContact CG2-CD1 4.49Å; L126-I130 WeakPolarHBondContact O-CB 3.12Å; L126-I130 VanDerWaalsContact O-CG1 3.32Å; L126-I130 WeakPolarHBondContact O-CG1 3.37Å; L126-I130 PolarHBondContact O-N 2.92Å; I130-A133 PolarHBondContact O-N 3.05Å; I130-K134 HydrophobicContact CG2-CD 4.27Å; I130-K134 HydrophobicContact CG2-CG 4.44Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 2.94Å
131A92.6Very high93.3Very high1 Ų115.2 Ų15.21%0.00810%0.099CC..Hα-helixtrans-60.9-46.4178.800000111.7F127 T128 A133 K134 W135 V188 T307F127-A131 WeakPolarHBondContact O-CB 3.27Å; F127-A131 PolarHBondContact O-N 3.33Å; T128-A131 PolarHBondContact O-N 3.09Å; A131-A133 PolarHBondContact O-N 3.41Å; A131-K134 PolarHBondContact O-N 3.35Å; A131-W135 PolarHBondContact O-N 3.34Å; A131-V188 HydrophobicContact CB-CB 4.15Å; A131-V188 HydrophobicContact CB-CG1 3.73Å; A131-T307 HydrophobicContact CB-CG2 4.41Å
132N95.5Very high93.4Very high9 Ų915.4 Ų15.45%0.0489%0.094CC..Hα-helixtrans-61.8-42.2176.9-78.3-51.6000112.3T128 S129 W135 A136 L183 V188 L274T128-N132 PolarHBondContact O-N 2.89Å; T128-N132 PolarHBondContact O-ND2 3.39Å; S129-N132 PolarHBondContact O-N 3.21Å; N132-W135 PolarHBondContact O-N 2.86Å; N132-A136 PolarHBondContact O-N 2.93Å; N132-L183 WeakPolarHBondContact OD1-CD2 3.37Å; N132-V188 WeakPolarHBondContact OD1-CG1 3.15Å; N132-L274 HydrophobicContact CB-CD1 4.43Å; N132-L274 HydrophobicContact CB-CD2 4.18Å
133A95.5Very high93.6Very high4 Ų418.7 Ų18.73%0.03311%0.107CC..Hα-helixtrans-64.2-42.1176.600000112F5 S129 I130 A131 W135 A136 L137 L274F5-A133 HydrophobicContact CD2-CB 4.39Å; F5-A133 HydrophobicContact CE2-CB 3.38Å; F5-A133 HydrophobicContact CZ-CB 3.49Å; F5-A133 VanDerWaalsContact CZ-CB 3.49Å; S129-A133 WeakPolarHBondContact O-CB 3.47Å; S129-A133 PolarHBondContact O-N 3.4Å; I130-A133 PolarHBondContact O-N 3.05Å; A131-A133 PolarHBondContact O-N 3.41Å; A133-W135 VanDerWaalsContact C-N 3.34Å; A133-W135 PolarHBondContact O-N 3.27Å; A133-A136 PolarHBondContact O-N 3.36Å; A133-L137 VanDerWaalsContact O-CG 3.22Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.33Å; A133-L274 HydrophobicContact CB-CD1 4.16Å
134K94.4Very high94.1Very high60 Ų6020.8 Ų20.826%0.26112%0.117SC..Hα-helixtrans-58-47174.4-73.8178.2175.3-178.40111.2F2 I130 A131 L137 L138 P310 F313F2-K134 HydrophobicContact CE1-CD 4.01Å; F2-K134 HydrophobicContact CE1-CG 3.73Å; F2-K134 HydrophobicContact CZ-CD 4.27Å; F2-K134 HydrophobicContact CZ-CG 4.15Å; I130-K134 HydrophobicContact CG2-CD 4.27Å; I130-K134 HydrophobicContact CG2-CG 4.44Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 2.94Å; A131-K134 PolarHBondContact O-N 3.35Å; K134-L137 PolarHBondContact O-N 2.82Å; K134-L138 WeakPolarHBondContact O-CB 3.42Å; K134-L138 PolarHBondContact O-N 2.8Å; K134-P310 HydrophobicContact CB-CG 3.63Å; K134-P310 HydrophobicContact CD-CG 4.42Å; K134-F313 HydrophobicContact CB-CE1 4.5Å; K134-F313 HydrophobicContact CB-CZ 4.33Å; K134-F313 WeakPolarHBondContact O-CZ 3.48Å
135W96.7Very high94.4Very high0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-60.3-47.5176-82.2110.6000112A131 N132 A133 L137 L138 L139 V182 F185 A186 L299 C302 R308 P310A131-W135 PolarHBondContact O-N 3.34Å; N132-W135 PolarHBondContact O-N 2.86Å; A133-W135 VanDerWaalsContact C-N 3.34Å; A133-W135 PolarHBondContact O-N 3.27Å; W135-L137 VanDerWaalsContact C-N 3.34Å; W135-L137 PolarHBondContact O-N 3.02Å; W135-L138 HydrophobicContact CE3-CD2 3.99Å; W135-L138 HydrophobicContact CZ3-CD2 3.9Å; W135-L138 PolarHBondContact O-N 3.41Å; W135-L139 HydrophobicContact CB-CD1 4.48Å; W135-L139 WeakPolarHBondContact O-CB 3.48Å; W135-L139 VanDerWaalsContact O-CD1 3.3Å; W135-L139 WeakPolarHBondContact O-CD1 3.41Å; W135-L139 WeakPolarHBondContact O-CG 3.16Å; W135-L139 PolarHBondContact O-N 2.69Å; W135-V182 HydrophobicContact CB-CG1 4.25Å; W135-F185 HydrophobicContact CZ3-CE1 4.19Å; W135-A186 HydrophobicContact CB-CB 3.73Å; W135-A186 VanDerWaalsContact CD1-CB 3.44Å; W135-A186 HydrophobicContact CD2-CB 3.9Å; W135-A186 HydrophobicContact CG-CB 3.41Å; W135-A186 VanDerWaalsContact CG-CB 3.41Å; W135-L299 WeakPolarHBondContact CH2-O 3.4Å; W135-L299 HydrophobicContact CZ3-CB 4.45Å; W135-C302 HydrophobicContact CH2-CB 4.47Å; W135-C302 HydrophobicContact CZ2-CB 4.09Å; W135-R308 HydrophobicContact CZ2-CG 4.05Å; W135-R308 PolarHBondContact NE1-O 2.82Å; W135-P310 HydrophobicContact CD2-CB 4.41Å; W135-P310 HydrophobicContact CD2-CG 4.44Å; W135-P310 HydrophobicContact CH2-CB 4.38Å; W135-P310 HydrophobicContact CZ2-CB 4.32Å; W135-P310 HydrophobicContact CZ3-CB 4.49Å
136A97.6Very high94.8Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-56-47.6178.100000112N132 A133 L139 L140 F178 V182 L274 I278N132-A136 PolarHBondContact O-N 2.93Å; A133-A136 PolarHBondContact O-N 3.36Å; A136-L139 PolarHBondContact O-N 3.04Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.17Å; A136-F178 HydrophobicContact CB-CE1 4.31Å; A136-F178 HydrophobicContact CB-CZ 4.38Å; A136-V182 HydrophobicContact CB-CG1 4.04Å; A136-V182 HydrophobicContact CB-CG2 4.11Å; A136-L274 HydrophobicContact CB-CD1 4.44Å; A136-I278 HydrophobicContact CB-CD1 3.62Å; A136-I278 HydrophobicContact CB-CG1 3.93Å
137L96.7Very high95.3Very high12 Ų1225 Ų256%0.06313%0.128CC..Hα-helixtrans-67-42.5-179.4-62.8165.4000112.4M1 A133 K134 W135 L139 L140 A141 I278 L281 I287 L315 F317M1-L137 HydrophobicContact CE-CD1 3.71Å; M1-L137 HydrophobicContact CE-CD2 3.93Å; M1-L137 HydrophobicContact CE-CG 4.48Å; M1-L137 HydrophobicContact SD-CD1 3.42Å; M1-L137 WeakPolarHBondContact SD-CD1 3.45Å; M1-L137 HydrophobicContact SD-CD2 4.22Å; M1-L137 HydrophobicContact SD-CG 4.34Å; A133-L137 VanDerWaalsContact O-CG 3.22Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.33Å; K134-L137 PolarHBondContact O-N 2.82Å; W135-L137 VanDerWaalsContact C-N 3.34Å; W135-L137 PolarHBondContact O-N 3.02Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.76Å; L137-L140 PolarHBondContact O-N 3.08Å; L137-A141 PolarHBondContact O-N 2.87Å; L137-I278 HydrophobicContact CD2-CD1 3.96Å; L137-I278 HydrophobicContact CG-CD1 4.19Å; L137-L281 HydrophobicContact CD2-CD1 4Å; L137-I287 HydrophobicContact CD2-CD1 3.81Å; L137-L315 HydrophobicContact CB-CD1 3.66Å; L137-F317 HydrophobicContact CD2-CE1 4.43Å; L137-F317 HydrophobicContact CD2-CZ 4.41Å
138L96.1Very high95.9Very high1 Ų128.6 Ų28.61%0.00514%0.144CC..Hα-helixtrans-57.1-47.4174.6174.666.3000110.8K134 W135 A141 K142 F289 Y296 L299 P310 F313K134-L138 WeakPolarHBondContact O-CB 3.42Å; K134-L138 PolarHBondContact O-N 2.8Å; W135-L138 HydrophobicContact CE3-CD2 3.99Å; W135-L138 HydrophobicContact CZ3-CD2 3.9Å; W135-L138 PolarHBondContact O-N 3.41Å; L138-A141 PolarHBondContact O-N 3.45Å; L138-K142 WeakPolarHBondContact O-CB 3.24Å; L138-K142 PolarHBondContact O-N 3.16Å; L138-F289 HydrophobicContact CD1-CE1 3.63Å; L138-F289 HydrophobicContact CD1-CZ 3.79Å; L138-Y296 HydrophobicContact CD1-CE1 4.28Å; L138-Y296 VanDerWaalsContact CD2-OH 3.24Å; L138-Y296 WeakPolarHBondContact CD2-OH 3.39Å; L138-L299 HydrophobicContact CD2-CD2 3.9Å; L138-L299 HydrophobicContact CG-CD2 4.47Å; L138-P310 HydrophobicContact CD2-CB 3.59Å; L138-P310 HydrophobicContact CD2-CG 4.43Å; L138-F313 HydrophobicContact CB-CD1 4.44Å; L138-F313 HydrophobicContact CB-CE1 3.84Å; L138-F313 HydrophobicContact CB-CZ 4.01Å; L138-F313 HydrophobicContact CD1-CD1 3.99Å; L138-F313 HydrophobicContact CD1-CE1 4.25Å; L138-F313 HydrophobicContact CD1-CG 4.36Å; L138-F313 HydrophobicContact CD2-CE1 4.47Å; L138-F313 HydrophobicContact CG-CE1 4.42Å
139L97Very high96.2Very high0 Ų032.4 Ų32.40%016%0.155CC..Hα-helixtrans-67.6-37.1-178.5-67.2162.4000111.3W135 A136 L137 K142 Y143 V182 F185 F234 L299W135-L139 HydrophobicContact CB-CD1 4.48Å; W135-L139 WeakPolarHBondContact O-CB 3.48Å; W135-L139 VanDerWaalsContact O-CD1 3.3Å; W135-L139 WeakPolarHBondContact O-CD1 3.41Å; W135-L139 WeakPolarHBondContact O-CG 3.16Å; W135-L139 PolarHBondContact O-N 2.69Å; A136-L139 PolarHBondContact O-N 3.04Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.76Å; L139-K142 PolarHBondContact O-N 3.34Å; L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 4.27Å; L139-Y143 HydrophobicContact CD2-CE2 3.8Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 VanDerWaalsContact O-CD2 3.25Å; L139-Y143 WeakPolarHBondContact O-CD2 3.24Å; L139-Y143 PolarHBondContact O-N 3.32Å; L139-V182 HydrophobicContact CD1-CG2 4.04Å; L139-F185 HydrophobicContact CD1-CD1 4.3Å; L139-F185 HydrophobicContact CD2-CD1 4.22Å; L139-F185 HydrophobicContact CD2-CE1 4.17Å; L139-F234 HydrophobicContact CB-CD1 4.41Å; L139-F234 HydrophobicContact CB-CE1 4.05Å; L139-F234 HydrophobicContact CB-CE2 4.44Å; L139-F234 HydrophobicContact CB-CZ 4.08Å; L139-F234 HydrophobicContact CD1-CD2 3.79Å; L139-F234 HydrophobicContact CD1-CE2 3.54Å; L139-F234 HydrophobicContact CD1-CG 4.44Å; L139-F234 HydrophobicContact CD1-CZ 3.99Å; L139-F234 HydrophobicContact CD2-CB 4.15Å; L139-F234 HydrophobicContact CD2-CD1 4.11Å; L139-F234 HydrophobicContact CD2-CD2 3.9Å; L139-F234 HydrophobicContact CD2-CE2 4.36Å; L139-F234 HydrophobicContact CD2-CG 3.77Å; L139-F234 HydrophobicContact CG-CD2 4.34Å; L139-F234 HydrophobicContact CG-CE2 4.32Å; L139-F234 HydrophobicContact CG-CZ 4.46Å; L139-L299 HydrophobicContact CD2-CD1 3.9Å
140L97.8Very high96.5Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-65-40.7173.7-71.8163.7000112.5A136 L137 Y143 Q147 L150 F178 I278 V282 I287A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.17Å; L137-L140 PolarHBondContact O-N 3.08Å; L140-Y143 CarbonylContact O-C 3.47Å; L140-Q147 HydrophobicContact CB-CB 4.49Å; L140-Q147 HydrophobicContact CB-CG 4.32Å; L140-Q147 HydrophobicContact CD2-CB 3.96Å; L140-Q147 HydrophobicContact CD2-CG 4Å; L140-Q147 PolarHBondContact O-NE2 2.72Å; L140-L150 HydrophobicContact CD2-CD2 4.01Å; L140-F178 HydrophobicContact CD1-CE1 4.41Å; L140-F178 HydrophobicContact CD1-CZ 3.97Å; L140-F178 HydrophobicContact CD2-CD2 4.46Å; L140-F178 HydrophobicContact CD2-CE1 4.43Å; L140-F178 HydrophobicContact CD2-CE2 3.67Å; L140-F178 HydrophobicContact CD2-CZ 3.67Å; L140-F178 HydrophobicContact CG-CE1 4.43Å; L140-F178 HydrophobicContact CG-CE2 3.96Å; L140-F178 HydrophobicContact CG-CZ 3.57Å; L140-I278 HydrophobicContact CD1-CG2 3.61Å; L140-V282 HydrophobicContact CD1-CG2 3.65Å; L140-V282 HydrophobicContact CD2-CG2 4.07Å; L140-V282 HydrophobicContact CG-CG2 4.47Å; L140-I287 HydrophobicContact CB-CD1 4.47Å; L140-I287 HydrophobicContact CD1-CD1 4.1Å
141A96.8Very high96.8Very high11 Ų1134.3 Ų34.39%0.09116%0.16CC..Hα-helixtrans-67.9-40.7176.300000111.9L137 L138 I287 F289 L315L137-A141 PolarHBondContact O-N 2.87Å; L138-A141 PolarHBondContact O-N 3.45Å; A141-I287 HydrophobicContact CB-CG2 4.29Å; A141-F289 HydrophobicContact CB-CD1 4.23Å; A141-F289 HydrophobicContact CB-CD2 4.15Å; A141-F289 HydrophobicContact CB-CE1 4.03Å; A141-F289 HydrophobicContact CB-CE2 3.96Å; A141-F289 HydrophobicContact CB-CG 4.3Å; A141-F289 HydrophobicContact CB-CZ 3.89Å; A141-L315 HydrophobicContact CB-CD2 3.65Å
142K95.6Very high97Very high38 Ų3837.9 Ų37.917%0.16519%0.185CC..Hα-helixtrans-71.1-33.3179.3-169.5177174.981.30113.4L138 L139 P144 F289 Y296 L299L138-K142 WeakPolarHBondContact O-CB 3.24Å; L138-K142 PolarHBondContact O-N 3.16Å; L139-K142 PolarHBondContact O-N 3.34Å; K142-P144 VanDerWaalsContact C-CD 3.45Å; K142-P144 WeakPolarHBondContact O-CD 3.4Å; K142-F289 HydrophobicContact CB-CE2 4.15Å; K142-F289 HydrophobicContact CB-CZ 4.09Å; K142-Y296 PolarHBondContact NZ-O 3.06Å; K142-L299 HydrophobicContact CD-CD1 3.79Å; K142-L299 HydrophobicContact CD-CD2 3.92Å; K142-L299 HydrophobicContact CD-CG 4.09Å
143Y96.5Very high97.2Very high70 Ų7038.6 Ų38.628%0.27519%0.188SC..  trans-117.374.7-178.1-57.8-72.4000111.3L139 L140 N145 I146 Q147 F234L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 4.27Å; L139-Y143 HydrophobicContact CD2-CE2 3.8Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 VanDerWaalsContact O-CD2 3.25Å; L139-Y143 WeakPolarHBondContact O-CD2 3.24Å; L139-Y143 PolarHBondContact O-N 3.32Å; L140-Y143 CarbonylContact O-C 3.47Å; Y143-N145 PolarHBondContact O-N 2.98Å; Y143-N145 VanDerWaalsContact O-N 3.12Å; Y143-I146 HydrophobicContact CD2-CD1 4.37Å; Y143-I146 HydrophobicContact CG-CD1 3.97Å; Y143-I146 WeakPolarHBondContact O-CB 3.46Å; Y143-I146 PolarHBondContact O-N 3.08Å; Y143-Q147 PolarHBondContact O-N 3.42Å; Y143-Q147 VanDerWaalsContact O-N 3.1Å; Y143-F234 AromaticContact CD2-CD1 3.57Å; Y143-F234 HydrophobicContact CD2-CD1 3.57Å; Y143-F234 HydrophobicContact CD2-CE1 4.23Å; Y143-F234 HydrophobicContact CD2-CG 4.36Å; Y143-F234 HydrophobicContact CE2-CB 3.78Å; Y143-F234 AromaticContact CE2-CD1 3.69Å; Y143-F234 HydrophobicContact CE2-CD1 3.69Å; Y143-F234 HydrophobicContact CE2-CG 4.03Å; Y143-F234 HydrophobicContact CG-CD1 4.39Å
144P96.5Very high97.3Very high56 Ų5638.4 Ų38.436%0.36419%0.186SC..Hα-helixtrans-60.4-26.9-176.723.3-34.3000113.4K142 Q147 K148K142-P144 VanDerWaalsContact C-CD 3.45Å; K142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-Q147 PolarHBondContact O-N 3.01Å; P144-K148 WeakPolarHBondContact O-CB 3.2Å; P144-K148 VanDerWaalsContact O-CG 3.28Å; P144-K148 WeakPolarHBondContact O-CG 3.41Å; P144-K148 PolarHBondContact O-N 3.37Å
145N98Very high97.4Very high126 Ų12637.7 Ų37.767%0.67418%0.184SC*.Hα-helixtrans-67.3-40.5174.8-68.1-21.3000112.2Y143 K148 R149Y143-N145 PolarHBondContact O-N 2.98Å; Y143-N145 VanDerWaalsContact O-N 3.12Å; N145-K148 PolarHBondContact O-N 3.17Å; N145-R149 WeakPolarHBondContact O-CB 3.31Å; N145-R149 PolarHBondContact O-N 3.45Å
146I98.4Very high97.4Very high21 Ų2144.6 Ų44.611%0.10822%0.216CC..Hα-helixtrans-64.3-44.6174.1-67.7176.9000109.5Y143 K148 R149 L150 Y174 F178 F234 P236Y143-I146 HydrophobicContact CD2-CD1 4.37Å; Y143-I146 HydrophobicContact CG-CD1 3.97Å; Y143-I146 WeakPolarHBondContact O-CB 3.46Å; Y143-I146 PolarHBondContact O-N 3.08Å; I146-K148 PolarHBondContact O-N 3.19Å; I146-R149 PolarHBondContact O-N 2.67Å; I146-L150 WeakPolarHBondContact O-CB 3.47Å; I146-L150 PolarHBondContact O-N 3.35Å; I146-Y174 HydrophobicContact CG2-CE1 4.29Å; I146-F178 HydrophobicContact CG2-CD2 3.7Å; I146-F178 HydrophobicContact CG2-CE2 4.02Å; I146-F234 HydrophobicContact CD1-CD1 3.72Å; I146-F234 HydrophobicContact CD1-CE1 3.7Å; I146-F234 HydrophobicContact CG2-CE1 4.45Å; I146-P236 HydrophobicContact CD1-CG 4.02Å; I146-P236 HydrophobicContact CG2-CG 3.97Å
147Q98.6Very high97.3Very high13 Ų1350.4 Ų50.46%0.06124%0.239CC..Hα-helixtrans-59.3-46.4177.4-169.3-172.3151.100112L140 Y143 P144 L150 R151 V282 I287L140-Q147 HydrophobicContact CB-CB 4.49Å; L140-Q147 HydrophobicContact CB-CG 4.32Å; L140-Q147 HydrophobicContact CD2-CB 3.96Å; L140-Q147 HydrophobicContact CD2-CG 4Å; L140-Q147 PolarHBondContact O-NE2 2.72Å; Y143-Q147 PolarHBondContact O-N 3.42Å; Y143-Q147 VanDerWaalsContact O-N 3.1Å; P144-Q147 PolarHBondContact O-N 3.01Å; Q147-L150 PolarHBondContact O-N 3.05Å; Q147-R151 WeakPolarHBondContact O-CB 3.38Å; Q147-R151 PolarHBondContact O-N 3.12Å; Q147-V282 HydrophobicContact CG-CG1 4.36Å; Q147-V282 HydrophobicContact CG-CG2 4.45Å; Q147-I287 PolarHBondContact NE2-O 3.46Å
148K98.2Very high97.3Very high124 Ų12450.2 Ų50.254%0.53924%0.239SC..Hα-helixtrans-60.9-45.2176.3-75.6173.1-176.8177.50111.8P144 N145 I146 R151 S152P144-K148 WeakPolarHBondContact O-CB 3.2Å; P144-K148 VanDerWaalsContact O-CG 3.28Å; P144-K148 WeakPolarHBondContact O-CG 3.41Å; P144-K148 PolarHBondContact O-N 3.37Å; N145-K148 PolarHBondContact O-N 3.17Å; I146-K148 PolarHBondContact O-N 3.19Å; K148-R151 PolarHBondContact O-N 2.99Å; K148-S152 PolarHBondContact O-N 3.36Å; K148-S152 PolarHBondContact O-OG 2.89Å; K148-S152 VanDerWaalsContact O-OG 3.12Å
149R98.1Very high97.2Very high105 Ų10551.3 Ų51.340%0.39625%0.25SC..Hα-helixtrans-64.3-43.9178.8-177.8168.7172-162-11112.4N145 I146 R151 S152 E153 Y174 D237N145-R149 WeakPolarHBondContact O-CB 3.31Å; N145-R149 PolarHBondContact O-N 3.45Å; I146-R149 PolarHBondContact O-N 2.67Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 PolarHBondContact O-N 3.33Å; R149-S152 PolarHBondContact O-N 2.95Å; R149-E153 PolarHBondContact O-N 2.68Å; R149-Y174 HydrophobicContact CB-CE1 3.9Å; R149-Y174 HydrophobicContact CG-CD1 4.03Å; R149-Y174 HydrophobicContact CG-CD2 4.38Å; R149-Y174 HydrophobicContact CG-CE1 3.75Å; R149-Y174 HydrophobicContact CG-CE2 4.17Å; R149-Y174 HydrophobicContact CG-CG 4.33Å; R149-D237 IonicContact CZ-OD1 2.67Å; R149-D237 IonicContact CZ-OD2 3.44Å; R149-D237 IonicContact NH1-OD1 3.98Å; R149-D237 PolarHBondContact NH1-OD1 3.48Å; R149-D237 IonicContact NH1-OD2 3.33Å; R149-D237 PolarHBondContact NH1-OD2 3.36Å; R149-D237 IonicContact NH2-OD1 3.1Å; R149-D237 PolarHBondContact NH2-OD1 2.97Å
150L98.3Very high96.7Very high0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-58.6-44.2174178.758.5000111.2L140 I146 Q147 E153 I154 Y174 A175 F178 V282L140-L150 HydrophobicContact CD2-CD2 4.01Å; I146-L150 WeakPolarHBondContact O-CB 3.47Å; I146-L150 PolarHBondContact O-N 3.35Å; Q147-L150 PolarHBondContact O-N 3.05Å; L150-E153 PolarHBondContact O-N 3.22Å; L150-I154 HydrophobicContact CD1-CD1 4.09Å; L150-I154 HydrophobicContact CG-CD1 4.01Å; L150-I154 WeakPolarHBondContact O-CD1 3.35Å; L150-I154 VanDerWaalsContact O-CG1 3.28Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.25Å; L150-I154 VanDerWaalsContact O-N 3.11Å; L150-Y174 HydrophobicContact CB-CD1 4.03Å; L150-Y174 HydrophobicContact CB-CE1 4.01Å; L150-Y174 HydrophobicContact CD1-CD1 4.22Å; L150-A175 VanDerWaalsContact CD1-CA 3.44Å; L150-A175 HydrophobicContact CD1-CB 3.52Å; L150-F178 HydrophobicContact CD2-CD1 4.14Å; L150-F178 HydrophobicContact CD2-CE1 4.49Å; L150-F178 HydrophobicContact CD2-CG 4.22Å; L150-V282 HydrophobicContact CB-CG1 4.31Å; L150-V282 HydrophobicContact CD2-CB 4.41Å; L150-V282 HydrophobicContact CD2-CG1 4.21Å; L150-V282 HydrophobicContact CD2-CG2 4.05Å; L150-V282 HydrophobicContact CG-CG1 4.05Å
151R97.9Very high96.2Very high70 Ų7067.3 Ų67.326%0.26432%0.323SS..Hα-helixtrans-62.4-45.2174.9-169.1176.2179.6-84.24.5111.9Q147 K148 R149 E153 I154 M155 V282 K283Q147-R151 WeakPolarHBondContact O-CB 3.38Å; Q147-R151 PolarHBondContact O-N 3.12Å; K148-R151 PolarHBondContact O-N 2.99Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 PolarHBondContact O-N 3.33Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.29Å; R151-I154 PolarHBondContact O-N 3.48Å; R151-M155 HydrophobicContact CG-CG 4.07Å; R151-M155 VanDerWaalsContact O-CG 3.23Å; R151-M155 WeakPolarHBondContact O-CG 3.36Å; R151-M155 PolarHBondContact O-N 2.92Å; R151-V282 HydrophobicContact CB-CG1 3.7Å; R151-V282 VanDerWaalsContact CD-O 3.29Å; R151-V282 WeakPolarHBondContact CD-O 3.33Å; R151-V282 HydrophobicContact CG-CG1 4.38Å; R151-V282 WeakPolarHBondContact CG-O 3.25Å; R151-K283 PolarHBondContact NE-O 3.47Å; R151-K283 VanDerWaalsContact NE-O 3.14Å
152S97.6Very high95.9Very high76 Ų7671.2 Ų71.253%0.53134%0.34SS..Hα-helixtrans-56.8-46.7179-64.70000111.9K148 R149 I154 M155 E156K148-S152 PolarHBondContact O-N 3.36Å; K148-S152 PolarHBondContact O-OG 2.89Å; K148-S152 VanDerWaalsContact O-OG 3.12Å; R149-S152 PolarHBondContact O-N 2.95Å; S152-I154 PolarHBondContact O-N 2.95Å; S152-M155 PolarHBondContact O-N 3.44Å; S152-E156 WeakPolarHBondContact O-CB 3.19Å; S152-E156 PolarHBondContact O-N 3.32Å
153E98Very high95.9Very high24 Ų2476.1 Ų76.111%0.11236%0.361CS..Hα-helixtrans-58.5-47.9175.3-177-173.3-117.300111.4R149 L150 R151 M155 E156 Y157 L172 N173 Y174 A175R149-E153 PolarHBondContact O-N 2.68Å; L150-E153 PolarHBondContact O-N 3.22Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.29Å; E153-M155 VanDerWaalsContact C-N 3.31Å; E153-M155 PolarHBondContact O-N 3.37Å; E153-E156 PolarHBondContact O-N 2.87Å; E153-Y157 HydrophobicContact CG-CD2 3.83Å; E153-Y157 HydrophobicContact CG-CE2 4.04Å; E153-Y157 WeakPolarHBondContact O-CD2 3.49Å; E153-Y157 PolarHBondContact O-N 3.13Å; E153-Y157 VanDerWaalsContact O-N 3.09Å; E153-L172 HydrophobicContact CG-CD2 3.78Å; E153-N173 PolarHBondContact OE1-N 2.87Å; E153-Y174 VanDerWaalsContact CD-CB 3.48Å; E153-Y174 WeakPolarHBondContact OE1-CA 3.5Å; E153-Y174 VanDerWaalsContact OE1-CB 3.24Å; E153-Y174 WeakPolarHBondContact OE1-CB 3.48Å; E153-Y174 PolarHBondContact OE1-N 3.37Å; E153-Y174 WeakPolarHBondContact OE2-CB 3.26Å; E153-Y174 PolarHBondContact OE2-N 2.95Å; E153-A175 PolarHBondContact OE2-N 3.45Å
154I98Very high95.9Very high0 Ų073 Ų730%035%0.349CS..Hα-helixtrans-60.1-43.4179-67.3163.4000110.9L150 R151 S152 E156 V158 G159 V164 L172 T279 V282 K283L150-I154 HydrophobicContact CD1-CD1 4.09Å; L150-I154 HydrophobicContact CG-CD1 4.01Å; L150-I154 WeakPolarHBondContact O-CD1 3.35Å; L150-I154 VanDerWaalsContact O-CG1 3.28Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.25Å; L150-I154 VanDerWaalsContact O-N 3.11Å; R151-I154 PolarHBondContact O-N 3.48Å; S152-I154 PolarHBondContact O-N 2.95Å; I154-E156 VanDerWaalsContact C-N 3.32Å; I154-E156 PolarHBondContact O-N 3.35Å; I154-V158 HydrophobicContact CG2-CB 4.36Å; I154-V158 HydrophobicContact CG2-CG2 4.33Å; I154-V158 WeakPolarHBondContact O-CA 3.31Å; I154-V158 WeakPolarHBondContact O-CB 2.99Å; I154-V158 PolarHBondContact O-N 3.32Å; I154-G159 PolarHBondContact O-N 3.08Å; I154-V164 HydrophobicContact CG2-CG2 3.61Å; I154-L172 HydrophobicContact CG1-CD2 4.41Å; I154-T279 HydrophobicContact CD1-CG2 4.09Å; I154-V282 HydrophobicContact CD1-CB 4.49Å; I154-V282 HydrophobicContact CD1-CG1 4.38Å; I154-K283 HydrophobicContact CG2-CB 4.07Å; I154-K283 HydrophobicContact CG2-CD 3.86Å; I154-K283 HydrophobicContact CG2-CG 4.07Å
155M97.1Very high96Very high44 Ų4472 Ų7222%0.21734%0.344CS..Hα-helixtrans-67.5-33.9180-65.2-56.6-63.800112.4R151 S152 E153 G159 C160 K283R151-M155 HydrophobicContact CG-CG 4.07Å; R151-M155 VanDerWaalsContact O-CG 3.23Å; R151-M155 WeakPolarHBondContact O-CG 3.36Å; R151-M155 PolarHBondContact O-N 2.92Å; S152-M155 PolarHBondContact O-N 3.44Å; E153-M155 VanDerWaalsContact C-N 3.31Å; E153-M155 PolarHBondContact O-N 3.37Å; M155-G159 VanDerWaalsContact O-CA 3.25Å; M155-G159 WeakPolarHBondContact O-CA 3.42Å; M155-G159 PolarHBondContact O-N 3.46Å; M155-G159 VanDerWaalsContact O-N 3.11Å; M155-C160 HydrophobicContact CE-CB 4.16Å; M155-C160 WeakPolarHBondContact CE-SG 3.2Å; M155-K283 HydrophobicContact SD-CG 4.2Å
156E96.4Very high95.9Very high145 Ų14569 Ų6968%0.67833%0.326SS*.Hα-helixtrans-67.1-49.7177.5-177.4175.5174.100112.2S152 E153 I154S152-E156 WeakPolarHBondContact O-CB 3.19Å; S152-E156 PolarHBondContact O-N 3.32Å; E153-E156 PolarHBondContact O-N 2.87Å; I154-E156 VanDerWaalsContact C-N 3.32Å; I154-E156 PolarHBondContact O-N 3.35Å
157Y96.3Very high95.8Very high123 Ų12376.2 Ų76.248%0.48236%0.36SS..Hα-helixtrans-91.1-25.8-173.6-69.6-77000114.6E153 L172E153-Y157 HydrophobicContact CG-CD2 3.83Å; E153-Y157 HydrophobicContact CG-CE2 4.04Å; E153-Y157 WeakPolarHBondContact O-CD2 3.49Å; E153-Y157 PolarHBondContact O-N 3.13Å; E153-Y157 VanDerWaalsContact O-N 3.09Å; Y157-L172 HydrophobicContact CD2-CD2 4.15Å; Y157-L172 HydrophobicContact CG-CD2 4.4Å
158V96.2Very high95.8Very high8 Ų876.9 Ų76.95%0.04836%0.363CS..THydrogen-bonded Turntrans-108.4-32.3-176.3-1720000111.6I154 Q162 V164 H168 L172I154-V158 HydrophobicContact CG2-CB 4.36Å; I154-V158 HydrophobicContact CG2-CG2 4.33Å; I154-V158 WeakPolarHBondContact O-CA 3.31Å; I154-V158 WeakPolarHBondContact O-CB 2.99Å; I154-V158 PolarHBondContact O-N 3.32Å; V158-Q162 HydrophobicContact CG1-CG 3.53Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.38Å; V158-Q162 PolarHBondContact O-NE2 3.31Å; V158-V164 HydrophobicContact CG1-CG2 4.28Å; V158-V164 HydrophobicContact CG2-CG2 4.29Å; V158-H168 HydrophobicContact CG2-CB 4.01Å; V158-L172 HydrophobicContact CG2-CD1 4.14Å; V158-L172 HydrophobicContact CG2-CD2 4.39Å
159G92.9Very high95.7Very high23 Ų2373.7 Ų73.724%0.23735%0.347CS..  trans75.1-176.7-178.100000114.5I154 M155 K283I154-G159 PolarHBondContact O-N 3.08Å; M155-G159 VanDerWaalsContact O-CA 3.25Å; M155-G159 WeakPolarHBondContact O-CA 3.42Å; M155-G159 PolarHBondContact O-N 3.46Å; M155-G159 VanDerWaalsContact O-N 3.11Å; G159-K283 WeakPolarHBondContact O-CE 3.33Å
160C87.5Confident95.5Very high91 Ų9172.8 Ų72.862%0.61536%0.362SS*.SBendtrans-76-38.1-169-55.30000114.3M155 K283M155-C160 HydrophobicContact CE-CB 4.16Å; M155-C160 WeakPolarHBondContact CE-SG 3.2Å; C160-K283 PolarHBondContact O-NZ 3.19Å
161R87Confident95.4Very high245 Ų24575.7 Ų75.793%0.92538%0.383SS*.SBendtrans-86.1-32-160.7-67.8-175.5178.4179.40.1115.3
162Q91.6Very high95.4Very high94 Ų9472.4 Ų72.444%0.43937%0.37SS..SBendtrans-98.5147.3-174.464.4-176.7-1700111.9V158 H168 K283V158-Q162 HydrophobicContact CG1-CG 3.53Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.38Å; V158-Q162 PolarHBondContact O-NE2 3.31Å; Q162-H168 PolarHBondContact NE2-NE2 2.91Å; Q162-K283 WeakPolarHBondContact O-CE 3.31Å; Q162-K283 PolarHBondContact O-NZ 3.14Å
163F95.3Very high95.4Very high140 Ų14070.7 Ų70.761%0.61436%0.355SS*.PPolyproline II helixtrans-67.3150.8168.8-72.2-73.4000110.3S165 N280 Y284F163-S165 PolarHBondContact O-N 3.42Å; F163-N280 WeakPolarHBondContact CA-OD1 3.48Å; F163-N280 WeakPolarHBondContact CB-OD1 3.48Å; F163-N280 WeakPolarHBondContact CD1-OD1 3.43Å; F163-Y284 AromaticContact CD1-CE2 3.53Å; F163-Y284 HydrophobicContact CD1-CE2 3.53Å; F163-Y284 HydrophobicContact CE1-CD2 4.26Å; F163-Y284 AromaticContact CE1-CE2 3.44Å; F163-Y284 HydrophobicContact CE1-CE2 3.44Å; F163-Y284 VanDerWaalsContact CE1-CE2 3.44Å; F163-Y284 AromaticContact CE1-CZ 3.79Å; F163-Y284 HydrophobicContact CZ-CE2 4.49Å
164V97.1Very high95.4Very high4 Ų470 Ų702%0.02435%0.351CS..PPolyproline II helixtrans-66.5123.5169.3-1730000107.8I154 V158 H168 L172 F275 L276 N280 K283I154-V164 HydrophobicContact CG2-CG2 3.61Å; V158-V164 HydrophobicContact CG1-CG2 4.28Å; V158-V164 HydrophobicContact CG2-CG2 4.29Å; V164-H168 HydrophobicContact CG1-CB 4.38Å; V164-L172 HydrophobicContact CG1-CD1 3.85Å; V164-F275 HydrophobicContact CG1-CE1 3.94Å; V164-F275 HydrophobicContact CG1-CZ 4.43Å; V164-L276 WeakPolarHBondContact O-CD2 3.47Å; V164-N280 PolarHBondContact N-OD1 3.1Å; V164-N280 PolarHBondContact O-ND2 3Å; V164-K283 HydrophobicContact CG2-CD 3.98Å
165S97.2Very high95.4Very high36 Ų3670 Ų7025%0.25235%0.351SS..  trans-112.6171.6176.380.30000110.8F163 E167 H168F163-S165 PolarHBondContact O-N 3.42Å; S165-E167 PolarHBondContact O-N 2.83Å; S165-E167 PolarHBondContact OG-N 2.92Å; S165-H168 PolarHBondContact N-ND1 3.33Å; S165-H168 VanDerWaalsContact N-ND1 3.13Å; S165-H168 PolarHBondContact O-N 3.22Å; S165-H168 PolarHBondContact OG-CE1 3.32Å; S165-H168 VanDerWaalsContact OG-CE1 3.32Å; S165-H168 PolarHBondContact OG-ND1 3.07Å
166M96.8Very high95.5Very high63 Ų6368.6 Ų68.631%0.3134%0.344SS..G310 helixtrans-65.7-22.1176.9-69.9-54.7-49.600113.8H168 R169 Q272 F275 L276M166-H168 PolarHBondContact O-N 2.77Å; M166-R169 HydrophobicContact CE-CB 4.19Å; M166-R169 HydrophobicContact CE-CG 4.34Å; M166-R169 VanDerWaalsContact O-CB 3.29Å; M166-R169 WeakPolarHBondContact O-CB 3.48Å; M166-R169 PolarHBondContact O-N 3.05Å; M166-Q272 HydrophobicContact CE-CB 4.32Å; M166-Q272 HydrophobicContact CE-CG 3.61Å; M166-Q272 HydrophobicContact SD-CB 3.96Å; M166-Q272 HydrophobicContact SD-CG 3.89Å; M166-F275 HydrophobicContact SD-CD1 4.2Å; M166-L276 HydrophobicContact CG-CD1 4.06Å; M166-L276 HydrophobicContact CG-CD2 4.19Å; M166-L276 HydrophobicContact CG-CG 4.32Å; M166-L276 HydrophobicContact SD-CD1 4Å; M166-L276 HydrophobicContact SD-CD2 3.93Å; M166-L276 HydrophobicContact SD-CG 3.77Å
167E96.7Very high95.6Very high173 Ų17361.7 Ų61.781%0.80831%0.312SS*.G310 helixtrans-66.4-30.2176.5-61.7173.4166.600111.7S165 R169S165-E167 PolarHBondContact O-N 2.83Å; S165-E167 PolarHBondContact OG-N 2.92Å; E167-R169 VanDerWaalsContact C-N 3.31Å; E167-R169 PolarHBondContact O-N 2.9Å
168H96.8Very high95.7Very high27 Ų2755.9 Ų55.913%0.12529%0.289CS..G310 helixtrans-77.6-17.5178.7-57.398000113V158 Q162 V164 S165 M166 A170 S171 L172V158-H168 HydrophobicContact CG2-CB 4.01Å; Q162-H168 PolarHBondContact NE2-NE2 2.91Å; V164-H168 HydrophobicContact CG1-CB 4.38Å; S165-H168 PolarHBondContact N-ND1 3.33Å; S165-H168 VanDerWaalsContact N-ND1 3.13Å; S165-H168 PolarHBondContact O-N 3.22Å; S165-H168 PolarHBondContact OG-CE1 3.32Å; S165-H168 VanDerWaalsContact OG-CE1 3.32Å; S165-H168 PolarHBondContact OG-ND1 3.07Å; M166-H168 PolarHBondContact O-N 2.77Å; H168-A170 PolarHBondContact O-N 3.27Å; H168-A170 VanDerWaalsContact O-N 3.14Å; H168-S171 PolarHBondContact O-N 3.1Å; H168-L172 HydrophobicContact CB-CD1 4.11Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å
169R96.4Very high95.8Very high57 Ų5755.9 Ų55.922%0.21529%0.289CS..G310 helixtrans-57.9-34.6-169.4-178172.2-179.4-151-8.1113.5M166 E167 S171 L172 E176 F275M166-R169 HydrophobicContact CE-CB 4.19Å; M166-R169 HydrophobicContact CE-CG 4.34Å; M166-R169 VanDerWaalsContact O-CB 3.29Å; M166-R169 WeakPolarHBondContact O-CB 3.48Å; M166-R169 PolarHBondContact O-N 3.05Å; E167-R169 VanDerWaalsContact C-N 3.31Å; E167-R169 PolarHBondContact O-N 2.9Å; R169-S171 PolarHBondContact O-N 3.36Å; R169-L172 PolarHBondContact O-N 3.32Å; R169-E176 HydrophobicContact CG-CG 4.41Å; R169-E176 WeakPolarHBondContact CG-OE1 3.07Å; R169-E176 IonicContact CZ-OE1 2.94Å; R169-E176 IonicContact CZ-OE2 2.68Å; R169-E176 VanDerWaalsContact NE-CD 3.3Å; R169-E176 IonicContact NE-OE1 3.07Å; R169-E176 PolarHBondContact NE-OE1 3.09Å; R169-E176 IonicContact NE-OE2 3.24Å; R169-E176 PolarHBondContact NE-OE2 3.24Å; R169-E176 IonicContact NH2-OE1 3.56Å; R169-E176 PolarHBondContact NH2-OE1 2.99Å; R169-E176 IonicContact NH2-OE2 3.78Å; R169-E176 PolarHBondContact NH2-OE2 2.84Å; R169-F275 HydrophobicContact CB-CE1 3.88Å; R169-F275 HydrophobicContact CB-CE2 4.42Å; R169-F275 HydrophobicContact CB-CZ 3.81Å; R169-F275 HydrophobicContact CG-CD1 4.47Å; R169-F275 HydrophobicContact CG-CD2 4.28Å; R169-F275 HydrophobicContact CG-CE1 4.09Å; R169-F275 HydrophobicContact CG-CE2 3.88Å; R169-F275 HydrophobicContact CG-CZ 3.78Å
170A94.9Very high96Very high86 Ų8655.2 Ų55.271%0.71128%0.28SS*.G310 helixtrans-67.2-22.7179.500000113.5H168H168-A170 PolarHBondContact O-N 3.27Å; H168-A170 VanDerWaalsContact O-N 3.14Å
171S95.6Very high96.6Very high61 Ų6150.9 Ų50.943%0.42725%0.251SS..G310 helixtrans-95.2-7.9-179.5-52.50000113.5H168 R169H168-S171 PolarHBondContact O-N 3.1Å; R169-S171 PolarHBondContact O-N 3.36Å
172L97.8Very high97.1Very high0 Ų039.2 Ų39.20%021%0.207CC..  trans-106.471.5-173.5-63.2174.6000110.6E153 I154 Y157 V158 V164 H168 R169 A175 E176 F275E153-L172 HydrophobicContact CG-CD2 3.78Å; I154-L172 HydrophobicContact CG1-CD2 4.41Å; Y157-L172 HydrophobicContact CD2-CD2 4.15Å; Y157-L172 HydrophobicContact CG-CD2 4.4Å; V158-L172 HydrophobicContact CG2-CD1 4.14Å; V158-L172 HydrophobicContact CG2-CD2 4.39Å; V164-L172 HydrophobicContact CG1-CD1 3.85Å; H168-L172 HydrophobicContact CB-CD1 4.11Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å; R169-L172 PolarHBondContact O-N 3.32Å; L172-A175 HydrophobicContact CB-CB 3.78Å; L172-A175 PolarHBondContact O-N 3.14Å; L172-E176 PolarHBondContact O-N 2.98Å; L172-F275 HydrophobicContact CB-CZ 4.29Å; L172-F275 HydrophobicContact CD1-CZ 3.79Å
173N98Very high97.4Very high40 Ų4034.9 Ų34.921%0.21419%0.187CC..Hα-helixtrans-65.3-44.4-174.9-75.8-18.8000112.6E153 A175 E176 A177 L240 G244 L246E153-N173 PolarHBondContact OE1-N 2.87Å; N173-A175 VanDerWaalsContact C-N 3.33Å; N173-E176 PolarHBondContact O-N 2.88Å; N173-A177 WeakPolarHBondContact O-CB 3.47Å; N173-A177 PolarHBondContact O-N 3.4Å; N173-L240 HydrophobicContact CB-CD2 4.2Å; N173-G244 PolarHBondContact ND2-O 2.9Å; N173-G244 VanDerWaalsContact ND2-O 3.09Å; N173-L246 HydrophobicContact CB-CG 4.12Å; N173-L246 VanDerWaalsContact O-CD2 3.31Å; N173-L246 WeakPolarHBondContact O-CD2 3.26Å
174Y98.6Very high97.5Very high9 Ų928.3 Ų28.34%0.03516%0.158CC..Hα-helixtrans-65.9-37177.2-169.1-99.6000111.3I146 R149 L150 E153 A177 F178 P236 D237 L240I146-Y174 HydrophobicContact CG2-CE1 4.29Å; R149-Y174 HydrophobicContact CB-CE1 3.9Å; R149-Y174 HydrophobicContact CG-CD1 4.03Å; R149-Y174 HydrophobicContact CG-CD2 4.38Å; R149-Y174 HydrophobicContact CG-CE1 3.75Å; R149-Y174 HydrophobicContact CG-CE2 4.17Å; R149-Y174 HydrophobicContact CG-CG 4.33Å; L150-Y174 HydrophobicContact CB-CD1 4.03Å; L150-Y174 HydrophobicContact CB-CE1 4.01Å; L150-Y174 HydrophobicContact CD1-CD1 4.22Å; E153-Y174 VanDerWaalsContact CD-CB 3.48Å; E153-Y174 WeakPolarHBondContact OE1-CA 3.5Å; E153-Y174 VanDerWaalsContact OE1-CB 3.24Å; E153-Y174 WeakPolarHBondContact OE1-CB 3.48Å; E153-Y174 PolarHBondContact OE1-N 3.37Å; E153-Y174 WeakPolarHBondContact OE2-CB 3.26Å; E153-Y174 PolarHBondContact OE2-N 2.95Å; Y174-A177 PolarHBondContact O-N 3.19Å; Y174-F178 WeakPolarHBondContact O-CB 3.15Å; Y174-F178 PolarHBondContact O-N 3.2Å; Y174-P236 HydrophobicContact CE2-CB 4.05Å; Y174-D237 WeakPolarHBondContact CE2-OD1 3.33Å; Y174-L240 HydrophobicContact CD2-CD1 3.68Å; Y174-L240 HydrophobicContact CE2-CD1 4.43Å
175A98.4Very high97.5Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-60.6-46.2171.300000112L150 E153 L172 N173 F178 M179 F275 T279L150-A175 VanDerWaalsContact CD1-CA 3.44Å; L150-A175 HydrophobicContact CD1-CB 3.52Å; E153-A175 PolarHBondContact OE2-N 3.45Å; L172-A175 HydrophobicContact CB-CB 3.78Å; L172-A175 PolarHBondContact O-N 3.14Å; N173-A175 VanDerWaalsContact C-N 3.33Å; A175-F178 PolarHBondContact O-N 3.01Å; A175-M179 WeakPolarHBondContact O-CG 3.02Å; A175-M179 PolarHBondContact O-N 2.88Å; A175-F275 HydrophobicContact CB-CE2 3.82Å; A175-F275 HydrophobicContact CB-CZ 4.5Å; A175-T279 HydrophobicContact CB-CG2 4.11Å
176E97.9Very high97.4Very high16 Ų1626.7 Ų26.78%0.07515%0.146CC..Hα-helixtrans-62.1-42174.6-78-60.311300112.4R169 L172 N173 M179 N180 L246 F275R169-E176 HydrophobicContact CG-CG 4.41Å; R169-E176 WeakPolarHBondContact CG-OE1 3.07Å; R169-E176 IonicContact CZ-OE1 2.94Å; R169-E176 IonicContact CZ-OE2 2.68Å; R169-E176 VanDerWaalsContact NE-CD 3.3Å; R169-E176 IonicContact NE-OE1 3.07Å; R169-E176 PolarHBondContact NE-OE1 3.09Å; R169-E176 IonicContact NE-OE2 3.24Å; R169-E176 PolarHBondContact NE-OE2 3.24Å; R169-E176 IonicContact NH2-OE1 3.56Å; R169-E176 PolarHBondContact NH2-OE1 2.99Å; R169-E176 IonicContact NH2-OE2 3.78Å; R169-E176 PolarHBondContact NH2-OE2 2.84Å; L172-E176 PolarHBondContact O-N 2.98Å; N173-E176 PolarHBondContact O-N 2.88Å; E176-M179 PolarHBondContact O-N 3.18Å; E176-N180 PolarHBondContact O-N 2.65Å; E176-N180 PolarHBondContact O-ND2 3.34Å; E176-L246 HydrophobicContact CB-CD1 3.68Å; E176-L246 HydrophobicContact CB-CD2 4.06Å; E176-L246 HydrophobicContact CB-CG 4.49Å; E176-L246 HydrophobicContact CG-CD1 4.14Å; E176-F275 VanDerWaalsContact OE1-CD2 3.26Å; E176-F275 WeakPolarHBondContact OE1-CD2 3.35Å; E176-F275 WeakPolarHBondContact OE1-CE2 3.31Å
177A98.5Very high97.4Very high0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-60.9-45.6176.200000111.2N173 Y174 N180 E181 P236 F239 L240 L246N173-A177 WeakPolarHBondContact O-CB 3.47Å; N173-A177 PolarHBondContact O-N 3.4Å; Y174-A177 PolarHBondContact O-N 3.19Å; A177-N180 PolarHBondContact O-N 2.86Å; A177-E181 WeakPolarHBondContact O-CB 3.18Å; A177-E181 PolarHBondContact O-N 3.2Å; A177-P236 WeakPolarHBondContact CB-O 3.39Å; A177-F239 HydrophobicContact CB-CB 3.96Å; A177-L240 HydrophobicContact CB-CD1 4.4Å; A177-L240 HydrophobicContact CB-CD2 4.11Å; A177-L240 HydrophobicContact CB-CG 4.05Å; A177-L246 HydrophobicContact CB-CD2 4Å
178F98.6Very high97.3Very high0 Ų016.1 Ų16.10%010%0.096CC..Hα-helixtrans-59.8-48.1175172.8-88.7000111.8A136 L140 I146 L150 Y174 A175 N180 E181 V182 F234 P236 I278A136-F178 HydrophobicContact CB-CE1 4.31Å; A136-F178 HydrophobicContact CB-CZ 4.38Å; L140-F178 HydrophobicContact CD1-CE1 4.41Å; L140-F178 HydrophobicContact CD1-CZ 3.97Å; L140-F178 HydrophobicContact CD2-CD2 4.46Å; L140-F178 HydrophobicContact CD2-CE1 4.43Å; L140-F178 HydrophobicContact CD2-CE2 3.67Å; L140-F178 HydrophobicContact CD2-CZ 3.67Å; L140-F178 HydrophobicContact CG-CE1 4.43Å; L140-F178 HydrophobicContact CG-CE2 3.96Å; L140-F178 HydrophobicContact CG-CZ 3.57Å; I146-F178 HydrophobicContact CG2-CD2 3.7Å; I146-F178 HydrophobicContact CG2-CE2 4.02Å; L150-F178 HydrophobicContact CD2-CD1 4.14Å; L150-F178 HydrophobicContact CD2-CE1 4.49Å; L150-F178 HydrophobicContact CD2-CG 4.22Å; Y174-F178 WeakPolarHBondContact O-CB 3.15Å; Y174-F178 PolarHBondContact O-N 3.2Å; A175-F178 PolarHBondContact O-N 3.01Å; F178-N180 VanDerWaalsContact C-N 3.33Å; F178-N180 PolarHBondContact O-N 3.48Å; F178-E181 PolarHBondContact O-N 3.42Å; F178-V182 HydrophobicContact CD1-CG2 4.16Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CE2-CG2 4.05Å; F178-V182 HydrophobicContact CZ-CG2 3.51Å; F178-V182 WeakPolarHBondContact O-CG2 3.46Å; F178-V182 PolarHBondContact O-N 3.41Å; F178-F234 HydrophobicContact CD2-CE1 4.22Å; F178-F234 AromaticContact CD2-CZ 3.84Å; F178-F234 HydrophobicContact CD2-CZ 3.84Å; F178-F234 AromaticContact CE2-CE1 3.97Å; F178-F234 HydrophobicContact CE2-CE1 3.97Å; F178-F234 AromaticContact CE2-CZ 3.63Å; F178-F234 HydrophobicContact CE2-CZ 3.63Å; F178-F234 HydrophobicContact CZ-CZ 4.46Å; F178-P236 HydrophobicContact CB-CB 4.32Å; F178-P236 HydrophobicContact CB-CG 4.32Å; F178-P236 HydrophobicContact CD2-CG 4.02Å; F178-I278 HydrophobicContact CE1-CG2 3.96Å
179M98.2Very high97.1Very high9 Ų916.8 Ų16.84%0.04410%0.101CC..Hα-helixtrans-61.2-42.2-179.9-66.4-51146.300111.9A175 E176 V182 L183 L274 F275 I278 T279A175-M179 WeakPolarHBondContact O-CG 3.02Å; A175-M179 PolarHBondContact O-N 2.88Å; E176-M179 PolarHBondContact O-N 3.18Å; M179-V182 PolarHBondContact O-N 3.09Å; M179-L183 VanDerWaalsContact O-CG 3.31Å; M179-L183 WeakPolarHBondContact O-CG 3.31Å; M179-L183 PolarHBondContact O-N 2.87Å; M179-L183 VanDerWaalsContact O-N 3.09Å; M179-L274 HydrophobicContact SD-CD2 4.23Å; M179-L274 HydrophobicContact SD-CG 3.98Å; M179-F275 HydrophobicContact CG-CD2 4.2Å; M179-I278 HydrophobicContact CE-CB 3.57Å; M179-I278 HydrophobicContact CE-CG1 4.31Å; M179-I278 HydrophobicContact CE-CG2 3.58Å; M179-I278 HydrophobicContact SD-CB 4.38Å; M179-T279 HydrophobicContact CE-CG2 4.36Å
180N98.2Very high97Very high8 Ų815 Ų154%0.04310%0.096CC..Hα-helixtrans-69.8-34.4178.3-74.9-78.7000112.1E176 A177 F178 L183 R184 F239 L251 R271E176-N180 PolarHBondContact O-N 2.65Å; E176-N180 PolarHBondContact O-ND2 3.34Å; A177-N180 PolarHBondContact O-N 2.86Å; F178-N180 VanDerWaalsContact C-N 3.33Å; F178-N180 PolarHBondContact O-N 3.48Å; N180-L183 PolarHBondContact O-N 2.84Å; N180-R184 WeakPolarHBondContact O-CB 3.49Å; N180-R184 PolarHBondContact O-N 2.88Å; N180-F239 HydrophobicContact CB-CD2 4.33Å; N180-F239 HydrophobicContact CB-CE2 4.15Å; N180-F239 HydrophobicContact CB-CZ 4.4Å; N180-L251 HydrophobicContact CB-CD2 3.48Å; N180-L251 VanDerWaalsContact CB-CD2 3.48Å; N180-R271 PolarHBondContact OD1-NH1 3.31Å
181E98.4Very high96.8Very high0 Ų014.7 Ų14.70%08%0.083CC..Hα-helixtrans-68.5-37.8173.9-172.765.7168.300112.2A177 F178 L183 R184 F185 F234 N235 P236 R238 F239A177-E181 WeakPolarHBondContact O-CB 3.18Å; A177-E181 PolarHBondContact O-N 3.2Å; F178-E181 PolarHBondContact O-N 3.42Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 2.95Å; E181-R184 PolarHBondContact O-N 3.19Å; E181-R184 IonicContact OE1-CZ 3.18Å; E181-R184 IonicContact OE1-NE 3.99Å; E181-R184 IonicContact OE1-NH2 3.56Å; E181-R184 PolarHBondContact OE1-NH2 3.41Å; E181-R184 IonicContact OE2-CZ 2.89Å; E181-R184 IonicContact OE2-NE 3.38Å; E181-R184 PolarHBondContact OE2-NE 3.36Å; E181-R184 IonicContact OE2-NH2 2.8Å; E181-F185 WeakPolarHBondContact O-CB 3.31Å; E181-F185 PolarHBondContact O-N 3.33Å; E181-F234 HydrophobicContact CB-CD2 4.48Å; E181-F234 HydrophobicContact CB-CE2 3.88Å; E181-F234 HydrophobicContact CB-CZ 4.36Å; E181-F234 HydrophobicContact CG-CD2 3.5Å; E181-F234 VanDerWaalsContact CG-CD2 3.5Å; E181-F234 HydrophobicContact CG-CE2 3.37Å; E181-F234 HydrophobicContact CG-CG 4.26Å; E181-F234 HydrophobicContact CG-CZ 4.07Å; E181-N235 PolarHBondContact OE1-N 3.45Å; E181-P236 HydrophobicContact CB-CG 4.47Å; E181-R238 IonicContact OE1-CZ 2.68Å; E181-R238 IonicContact OE1-NE 3.84Å; E181-R238 PolarHBondContact OE1-NE 2.89Å; E181-R238 IonicContact OE1-NH2 2.73Å; E181-R238 WeakPolarHBondContact OE2-CD 3.49Å; E181-R238 IonicContact OE2-NE 3.72Å; E181-R238 PolarHBondContact OE2-NE 2.73Å; E181-F239 HydrophobicContact CB-CD2 4.2Å; E181-F239 HydrophobicContact CB-CE2 3.77Å; E181-F239 VanDerWaalsContact OE2-CE2 3.24Å; E181-F239 WeakPolarHBondContact OE2-CE2 3.26Å
182V98.1Very high96.6Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-58.3-48.8171.7170.70000109.8W135 A136 L139 F178 M179 R184 F185 A186 F234W135-V182 HydrophobicContact CB-CG1 4.25Å; A136-V182 HydrophobicContact CB-CG1 4.04Å; A136-V182 HydrophobicContact CB-CG2 4.11Å; L139-V182 HydrophobicContact CD1-CG2 4.04Å; F178-V182 HydrophobicContact CD1-CG2 4.16Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CE2-CG2 4.05Å; F178-V182 HydrophobicContact CZ-CG2 3.51Å; F178-V182 WeakPolarHBondContact O-CG2 3.46Å; F178-V182 PolarHBondContact O-N 3.41Å; M179-V182 PolarHBondContact O-N 3.09Å; V182-R184 PolarHBondContact O-N 2.95Å; V182-F185 PolarHBondContact O-N 3.45Å; V182-A186 WeakPolarHBondContact O-CA 3.49Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.92Å; V182-F234 HydrophobicContact CG2-CE2 4.02Å; V182-F234 HydrophobicContact CG2-CZ 4.01Å
183L97.9Very high96.2Very high4 Ų418.2 Ų18.22%0.02110%0.097CC..Hα-helixtrans-63.9-41-178.3-67.2169.5000112.7N132 M179 N180 E181 T187 V254 P256 F257 L274N132-L183 WeakPolarHBondContact OD1-CD2 3.37Å; M179-L183 VanDerWaalsContact O-CG 3.31Å; M179-L183 WeakPolarHBondContact O-CG 3.31Å; M179-L183 PolarHBondContact O-N 2.87Å; M179-L183 VanDerWaalsContact O-N 3.09Å; N180-L183 PolarHBondContact O-N 2.84Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 2.95Å; L183-T187 PolarHBondContact O-N 3.28Å; L183-V254 HydrophobicContact CB-CG1 4.48Å; L183-P256 HydrophobicContact CB-CB 4.06Å; L183-P256 HydrophobicContact CB-CG 3.83Å; L183-P256 HydrophobicContact CD1-CG 4.1Å; L183-P256 HydrophobicContact CD2-CG 4.47Å; L183-P256 HydrophobicContact CG-CG 4.36Å; L183-F257 HydrophobicContact CD1-CE2 4.01Å; L183-F257 HydrophobicContact CD2-CE2 4.41Å; L183-F257 HydrophobicContact CD2-CZ 4.35Å; L183-L274 HydrophobicContact CD2-CD2 4.43Å
184R98Very high95.8Very high1 Ų120.5 Ų20.50%0.00411%0.113CC..Hα-helixtrans-65.4-51.7175.2-173-1576781.6-3.1111.1N180 E181 V182 T187 H222 F228 P231 E233 V254N180-R184 WeakPolarHBondContact O-CB 3.49Å; N180-R184 PolarHBondContact O-N 2.88Å; E181-R184 PolarHBondContact O-N 3.19Å; E181-R184 IonicContact OE1-CZ 3.18Å; E181-R184 IonicContact OE1-NE 3.99Å; E181-R184 IonicContact OE1-NH2 3.56Å; E181-R184 PolarHBondContact OE1-NH2 3.41Å; E181-R184 IonicContact OE2-CZ 2.89Å; E181-R184 IonicContact OE2-NE 3.38Å; E181-R184 PolarHBondContact OE2-NE 3.36Å; E181-R184 IonicContact OE2-NH2 2.8Å; V182-R184 PolarHBondContact O-N 2.95Å; R184-T187 PolarHBondContact O-OG1 2.94Å; R184-H222 HydrophobicContact CG-CB 3.79Å; R184-H222 PolarHBondContact NH1-O 3.31Å; R184-F228 VanDerWaalsContact CD-CD1 3.44Å; R184-F228 HydrophobicContact CG-CE1 4.3Å; R184-F228 HydrophobicContact CG-CZ 4.26Å; R184-P231 PolarHBondContact NH1-O 2.95Å; R184-P231 PolarHBondContact NH2-O 2.98Å; R184-P231 VanDerWaalsContact NH2-O 3.14Å; R184-E233 PolarHBondContact NH2-O 2.9Å; R184-V254 HydrophobicContact CB-CG1 4.01Å; R184-V254 HydrophobicContact CB-CG2 4.28Å
185F96.8Very high95.6Very high7 Ų723.4 Ų23.43%0.03113%0.127CC..Hα-helixtrans-69.1-43.2-174.5-173.3-86.8000112.4W135 L139 E181 V182 D232 F234 L299 R308W135-F185 HydrophobicContact CZ3-CE1 4.19Å; L139-F185 HydrophobicContact CD1-CD1 4.3Å; L139-F185 HydrophobicContact CD2-CD1 4.22Å; L139-F185 HydrophobicContact CD2-CE1 4.17Å; E181-F185 WeakPolarHBondContact O-CB 3.31Å; E181-F185 PolarHBondContact O-N 3.33Å; V182-F185 PolarHBondContact O-N 3.45Å; F185-D232 WeakPolarHBondContact CE2-O 3.09Å; F185-F234 HydrophobicContact CB-CD2 3.82Å; F185-F234 HydrophobicContact CB-CE2 4.42Å; F185-F234 HydrophobicContact CD1-CD2 4.39Å; F185-F234 HydrophobicContact CD2-CB 3.93Å; F185-F234 HydrophobicContact CD2-CD2 4.19Å; F185-F234 HydrophobicContact CE2-CB 4.01Å; F185-F234 HydrophobicContact CG-CB 4.36Å; F185-F234 AromaticContact CG-CD2 3.88Å; F185-F234 HydrophobicContact CG-CD2 3.88Å; F185-L299 HydrophobicContact CE1-CB 4.06Å; F185-L299 HydrophobicContact CE1-CD1 3.71Å; F185-L299 HydrophobicContact CZ-CB 4.03Å; F185-L299 HydrophobicContact CZ-CD1 3.67Å; F185-R308 PolarHBondContact O-NH1 2.99Å
186A95.7Very high95.4Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-70.1-42.5179.500000111.8W135 V182 V188 R308W135-A186 HydrophobicContact CB-CB 3.73Å; W135-A186 VanDerWaalsContact CD1-CB 3.44Å; W135-A186 HydrophobicContact CD2-CB 3.9Å; W135-A186 HydrophobicContact CG-CB 3.41Å; W135-A186 VanDerWaalsContact CG-CB 3.41Å; V182-A186 WeakPolarHBondContact O-CA 3.49Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.92Å; A186-V188 VanDerWaalsContact C-N 3.33Å; A186-V188 HydrophobicContact CB-CG1 4.13Å; A186-V188 PolarHBondContact O-N 2.85Å; A186-R308 VanDerWaalsContact C-NH1 3.28Å; A186-R308 WeakPolarHBondContact O-CD 3.33Å; A186-R308 PolarHBondContact O-NH1 3.19Å
187T95.9Very high95.3Very high2 Ų226.3 Ų26.31%0.01215%0.153CC..  trans34.566.4-173-55.40000111.1L183 R184 L189 P190 L218 H222L183-T187 PolarHBondContact O-N 3.28Å; R184-T187 PolarHBondContact O-OG1 2.94Å; T187-L189 CarbonylContact O-C 3.56Å; T187-L189 PolarHBondContact O-N 2.91Å; T187-P190 WeakPolarHBondContact O-CD 3.29Å; T187-P190 WeakPolarHBondContact O-CG 3.48Å; T187-L218 HydrophobicContact CG2-CB 4.07Å; T187-H222 PolarHBondContact OG1-ND1 3.4Å
188V94.9Very high95.2Very high11 Ų1132.4 Ų32.47%0.06719%0.19CC..SBendtrans-59.7-20.7-170-65.80000113.3A131 N132 A186 T307 R308A131-V188 HydrophobicContact CB-CB 4.15Å; A131-V188 HydrophobicContact CB-CG1 3.73Å; N132-V188 WeakPolarHBondContact OD1-CG1 3.15Å; A186-V188 VanDerWaalsContact C-N 3.33Å; A186-V188 HydrophobicContact CB-CG1 4.13Å; A186-V188 PolarHBondContact O-N 2.85Å; V188-T307 CarbonylContact O-C 3.44Å; V188-T307 WeakPolarHBondContact O-CA 3.43Å; V188-T307 WeakPolarHBondContact O-CB 3.37Å; V188-R308 PolarHBondContact O-N 3.29Å
189L93.2Very high95.1Very high42 Ų4235.9 Ų35.922%0.2221%0.214CC..  trans-118.389.6166.5-65.7175.9000109.3T128 T187 L191 F306 T307T128-L189 HydrophobicContact CG2-CD1 4.4Å; T187-L189 CarbonylContact O-C 3.56Å; T187-L189 PolarHBondContact O-N 2.91Å; L189-L191 VanDerWaalsContact C-N 3.27Å; L189-L191 PolarHBondContact O-N 3.45Å; L189-F306 WeakPolarHBondContact CD2-O 3.36Å; L189-T307 HydrophobicContact CD2-CG2 4.07Å
190P92.6Very high95.1Very high18 Ų1841.4 Ų41.412%0.11724%0.24CC..SBendtrans-58.1-36.4178.2-33.142.7000114.1T187 L218 W219 F304 R308T187-P190 WeakPolarHBondContact O-CD 3.29Å; T187-P190 WeakPolarHBondContact O-CG 3.48Å; P190-L218 PolarHBondContact O-N 2.67Å; P190-W219 HydrophobicContact CB-CB 3.87Å; P190-W219 HydrophobicContact CB-CE3 4.49Å; P190-W219 HydrophobicContact CG-CE3 4.37Å; P190-W219 PolarHBondContact O-N 3.14Å; P190-F304 HydrophobicContact CB-CE2 4.42Å; P190-F304 HydrophobicContact CG-CD2 4.49Å; P190-F304 HydrophobicContact CG-CE2 3.8Å; P190-R308 HydrophobicContact CG-CB 4.07Å
191L91.4Very high95Very high81 Ų8144.5 Ų44.542%0.42426%0.259SS..BIsolated β-bridgetrans-111.5134170.4-60.2178.8000108.1L189 A216 N217L189-L191 VanDerWaalsContact C-N 3.27Å; L189-L191 PolarHBondContact O-N 3.45Å; L191-A216 WeakPolarHBondContact CA-O 3.49Å; L191-N217 HydrophobicContact CD2-CB 4.11Å
192A91.3Very high94.9Very high10 Ų1049.8 Ų49.88%0.08329%0.287CS..PPolyproline II helixtrans-65160.8169.400000110.5A216 L218A192-A216 HydrophobicContact CB-CB 3.96Å; A192-A216 PolarHBondContact N-O 3.09Å; A192-L218 HydrophobicContact CB-CD1 4.27Å; A192-L218 HydrophobicContact CB-CG 4.4Å
193I89.2Confident94.7Very high125 Ų12555 Ų5564%0.64131%0.314SS*.SBendtrans-53.5133.9170.1-63.4176.5000108.4H195I193-H195 PolarHBondContact O-CD2 2.97Å; I193-H195 PolarHBondContact O-N 3.33Å
194P90.8Very high94.5Very high87 Ų8761.8 Ų61.857%0.56535%0.35SS*.PPolyproline II helixtrans-53.3132.5-176.3-25.932.6000112.9L215P194-L215 HydrophobicContact CB-CD2 3.77Å; P194-L215 HydrophobicContact CG-CD2 3.65Å
195H94.1Very high94.4Very high71 Ų7169 Ų6933%0.32939%0.388SS..EExtended strand (participates in β ladder)trans-97.4168.2170.3-73.7-114.7000110.1I193 P213 V214I193-H195 PolarHBondContact O-CD2 2.97Å; I193-H195 PolarHBondContact O-N 3.33Å; H195-P213 CarbonylContact O-C 3.58Å; H195-P213 WeakPolarHBondContact O-CA 3.3Å; H195-V214 HydrophobicContact CB-CB 4.21Å; H195-V214 PolarHBondContact N-O 2.81Å; H195-V214 PolarHBondContact O-N 2.81Å
196A94.2Very high94.4Very high62 Ų6277.1 Ų77.151%0.51242%0.42SS..EExtended strand (participates in β ladder)trans-136.9145.816500000110V198 T212A196-V198 PolarHBondContact O-N 3.37Å; A196-T212 VanDerWaalsContact CA-O 3.29Å; A196-T212 WeakPolarHBondContact CA-O 3.33Å
197S95.9Very high94.4Very high15 Ų1582.2 Ų82.211%0.10544%0.444CS..  trans-66.1128.2172.957.30000110.6P209 K210 S211 T212S197-P209 PolarHBondContact OG-O 3.09Å; S197-K210 WeakPolarHBondContact OG-CA 3.38Å; S197-S211 WeakPolarHBondContact O-CA 3.47Å; S197-S211 PolarHBondContact O-N 3.47Å; S197-S211 PolarHBondContact OG-N 2.77Å; S197-T212 PolarHBondContact N-O 2.92Å; S197-T212 PolarHBondContact OG-N 2.97Å
198V95.9Very high94.4Very high128 Ų12883 Ų8378%0.77645%0.449SS*.SBendtrans-80.6-28.5-179.2-179.60000111.6A196 K210A196-V198 PolarHBondContact O-N 3.37Å; V198-K210 WeakPolarHBondContact O-CD 3.34Å; V198-K210 WeakPolarHBondContact O-CE 3.42Å; V198-K210 WeakPolarHBondContact O-CG 3.12Å
199S97Very high94.6Very high72 Ų7285.5 Ų85.550%0.50347%0.466SS..SBendtrans-140.6168.4175.463.60000109.5
200E97Very high94.8Very high126 Ų12690.1 Ų90.159%0.58948%0.484SS*.  trans-57.5138.7165.7-172.7168.1126.500110.1H207 C208E200-H207 VanDerWaalsContact CG-NE2 3.35Å; E200-H207 WeakPolarHBondContact CG-NE2 3.4Å; E200-H207 IonicContact OE1-CD2 2.96Å; E200-H207 IonicContact OE1-CE1 3.34Å; E200-H207 IonicContact OE1-NE2 2.74Å; E200-H207 PolarHBondContact OE1-NE2 2.95Å; E200-H207 IonicContact OE2-CE1 3.5Å; E200-H207 IonicContact OE2-NE2 3.57Å; E200-H207 PolarHBondContact OE2-NE2 3.24Å; E200-C208 WeakPolarHBondContact CA-O 3.33Å
201T96.7Very high94.9Very high72 Ų7293.3 Ų93.344%0.44251%0.506SS..EExtended strand (participates in β ladder)trans-156.1173.8-177.1-166.90000111.7C208T201-C208 HydrophobicContact CG2-CB 3.91Å; T201-C208 PolarHBondContact N-O 3.42Å; T201-C208 PolarHBondContact O-N 3.32Å
202L96.7Very high95.1Very high111 Ų11191.5 Ų91.558%0.58150%0.499SS*.EExtended strand (participates in β ladder)trans-112.8133.5171.5-60.9179.1000109.9Y206 H207L202-Y206 CarbonylContact C-O 3.59Å; L202-Y206 WeakPolarHBondContact CA-O 3.3Å; L202-H207 HydrophobicContact CD2-CB 4.29Å
203L94Very high95.2Very high111 Ų11196 Ų9658%0.58153%0.527SS*.EExtended strand (participates in β ladder)trans-121.2114.6170.8178.964.9000109N205 Y206L203-N205 PolarHBondContact O-N 2.85Å; L203-Y206 PolarHBondContact N-O 3.02Å; L203-Y206 WeakPolarHBondContact O-CB 3.34Å; L203-Y206 WeakPolarHBondContact O-CD2 3.48Å; L203-Y206 PolarHBondContact O-N 3.1Å
204L94.1Very high95.4Very high146 Ų14692.6 Ų92.676%0.76451%0.512SS*.THydrogen-bonded Turntrans5140.2-175.3-57.5176.2000112.9Y206L204-Y206 HydrophobicContact CB-CD2 4.15Å; L204-Y206 HydrophobicContact CB-CE2 4.43Å; L204-Y206 WeakPolarHBondContact O-CD2 3.46Å; L204-Y206 PolarHBondContact O-N 3.21Å
205N94.6Very high95.4Very high152 Ų15293.6 Ų93.681%0.81351%0.512SS*.THydrogen-bonded Turntrans67.14.4-173.8-51.9-40.9000115.9L203L203-N205 PolarHBondContact O-N 2.85Å
206Y96.4Very high95.5Very high178 Ų17892 Ų9270%0.69851%0.511SS*.EExtended strand (participates in β ladder)trans-84.3131.7168.4-62.1-82.2000110.3L202 L203 L204 C208L202-Y206 CarbonylContact C-O 3.59Å; L202-Y206 WeakPolarHBondContact CA-O 3.3Å; L203-Y206 PolarHBondContact N-O 3.02Å; L203-Y206 WeakPolarHBondContact O-CB 3.34Å; L203-Y206 WeakPolarHBondContact O-CD2 3.48Å; L203-Y206 PolarHBondContact O-N 3.1Å; L204-Y206 HydrophobicContact CB-CD2 4.15Å; L204-Y206 HydrophobicContact CB-CE2 4.43Å; L204-Y206 WeakPolarHBondContact O-CD2 3.46Å; L204-Y206 PolarHBondContact O-N 3.21Å; Y206-C208 PolarHBondContact O-N 2.86Å
207H96.9Very high95.5Very high107 Ų10792.8 Ų92.850%0.49551%0.507SS..EExtended strand (participates in β ladder)trans-66.7127.9173.4-176.3-101.8000110.8E200 L202E200-H207 VanDerWaalsContact CG-NE2 3.35Å; E200-H207 WeakPolarHBondContact CG-NE2 3.4Å; E200-H207 IonicContact OE1-CD2 2.96Å; E200-H207 IonicContact OE1-CE1 3.34Å; E200-H207 IonicContact OE1-NE2 2.74Å; E200-H207 PolarHBondContact OE1-NE2 2.95Å; E200-H207 IonicContact OE2-CE1 3.5Å; E200-H207 IonicContact OE2-NE2 3.57Å; E200-H207 PolarHBondContact OE2-NE2 3.24Å; L202-H207 HydrophobicContact CD2-CB 4.29Å
208C96.6Very high95.6Very high19 Ų1992.5 Ų92.513%0.12850%0.504CS..EExtended strand (participates in β ladder)trans-122.2104.5177.7-175.90000108.6E200 T201 Y206E200-C208 WeakPolarHBondContact CA-O 3.33Å; T201-C208 HydrophobicContact CG2-CB 3.91Å; T201-C208 PolarHBondContact N-O 3.42Å; T201-C208 PolarHBondContact O-N 3.32Å; Y206-C208 PolarHBondContact O-N 2.86Å
209P97.6Very high95.6Very high63 Ų6389.6 Ų89.641%0.40948%0.479SS..  trans-58.7157.9176.2-24.233.9000112S197 T212S197-P209 PolarHBondContact OG-O 3.09Å; P209-T212 WeakPolarHBondContact O-CB 3.37Å; P209-T212 PolarHBondContact O-N 3.42Å; P209-T212 PolarHBondContact O-OG1 2.96Å
210K97.7Very high95.6Very high138 Ų13888.5 Ų88.560%0.647%0.474SS*.THydrogen-bonded Turntrans-56.8146.9169.8179.3173.6176.7178.60111.1S197 V198 T212S197-K210 WeakPolarHBondContact OG-CA 3.38Å; V198-K210 WeakPolarHBondContact O-CD 3.34Å; V198-K210 WeakPolarHBondContact O-CE 3.42Å; V198-K210 WeakPolarHBondContact O-CG 3.12Å; K210-T212 PolarHBondContact O-N 3.16Å
211S95.6Very high95.6Very high85 Ų8584.2 Ų84.259%0.59446%0.461SS*.THydrogen-bonded Turntrans64.119.2179.1-59.70000115S197 P213S197-S211 WeakPolarHBondContact O-CA 3.47Å; S197-S211 PolarHBondContact O-N 3.47Å; S197-S211 PolarHBondContact OG-N 2.77Å; S211-P213 WeakPolarHBondContact O-CD 3.46Å
212T95.3Very high95.6Very high44 Ų4480.8 Ų80.827%0.2744%0.44SS..  trans-73.3122.4173.1-610000109.5A196 S197 P209 K210A196-T212 VanDerWaalsContact CA-O 3.29Å; A196-T212 WeakPolarHBondContact CA-O 3.33Å; S197-T212 PolarHBondContact N-O 2.92Å; S197-T212 PolarHBondContact OG-N 2.97Å; P209-T212 WeakPolarHBondContact O-CB 3.37Å; P209-T212 PolarHBondContact O-N 3.42Å; P209-T212 PolarHBondContact O-OG1 2.96Å; K210-T212 PolarHBondContact O-N 3.16Å
213P92.5Very high95.6Very high104 Ų10477.6 Ų77.668%0.67542%0.42SS*.EExtended strand (participates in β ladder)trans-64.4136.6172.7-2133.7000111.4H195 S211H195-P213 CarbonylContact O-C 3.58Å; H195-P213 WeakPolarHBondContact O-CA 3.3Å; S211-P213 WeakPolarHBondContact O-CD 3.46Å
214V93.2Very high95.8Very high54 Ų5475.1 Ų75.133%0.32741%0.407SS..EExtended strand (participates in β ladder)trans-129.1126.4-178.8-179.50000109.7H195H195-V214 HydrophobicContact CB-CB 4.21Å; H195-V214 PolarHBondContact N-O 2.81Å; H195-V214 PolarHBondContact O-N 2.81Å
215L92.5Very high96Very high107 Ų10772.7 Ų72.756%0.5640%0.401SS*.  trans-108.8112.9174.8-60.7177.4000109.3P194P194-L215 HydrophobicContact CB-CD2 3.77Å; P194-L215 HydrophobicContact CG-CD2 3.65Å
216A94.4Very high96.1Very high37 Ų3771.3 Ų71.331%0.30640%0.398SS..  trans-81.8121.5174.700000110.1L191 A192 L218L191-A216 WeakPolarHBondContact CA-O 3.49Å; A192-A216 HydrophobicContact CB-CB 3.96Å; A192-A216 PolarHBondContact N-O 3.09Å; A216-L218 PolarHBondContact O-N 3.33Å
217N96Very high96.1Very high80 Ų8065.2 Ų65.243%0.42838%0.379SS..BIsolated β-bridgetrans-89.986-178.4-169.5-15.1000111.1L191 W219 A220 A221L191-N217 HydrophobicContact CD2-CB 4.11Å; N217-W219 VanDerWaalsContact C-N 3.27Å; N217-W219 PolarHBondContact O-N 3.44Å; N217-W219 WeakPolarHBondContact OD1-CB 3.28Å; N217-W219 PolarHBondContact OD1-N 3.44Å; N217-A220 HydrophobicContact CB-CB 4.11Å; N217-A220 VanDerWaalsContact CG-CB 3.48Å; N217-A220 PolarHBondContact O-N 3.22Å; N217-A220 PolarHBondContact OD1-N 3.33Å; N217-A221 PolarHBondContact O-N 3.33Å
218L96.8Very high96.1Very high8 Ų860.1 Ų60.14%0.04236%0.355CS..Hα-helixtrans-65.6-32.2178.6-58.8-177.6000111.7T187 P190 A192 A216 A221 H222 I255T187-L218 HydrophobicContact CG2-CB 4.07Å; P190-L218 PolarHBondContact O-N 2.67Å; A192-L218 HydrophobicContact CB-CD1 4.27Å; A192-L218 HydrophobicContact CB-CG 4.4Å; A216-L218 PolarHBondContact O-N 3.33Å; L218-A221 PolarHBondContact O-N 3.36Å; L218-H222 WeakPolarHBondContact O-CB 3.3Å; L218-H222 PolarHBondContact O-N 2.97Å; L218-I255 HydrophobicContact CD2-CD1 3.86Å; L218-I255 HydrophobicContact CD2-CG1 4.15Å
219W95.4Very high96.1Very high67 Ų6763.1 Ų63.125%0.25438%0.376SS..Hα-helixtrans-59.8-49.1175176.2-92.5000112.5P190 N217 A221 H222 R223 R308P190-W219 HydrophobicContact CB-CB 3.87Å; P190-W219 HydrophobicContact CB-CE3 4.49Å; P190-W219 HydrophobicContact CG-CE3 4.37Å; P190-W219 PolarHBondContact O-N 3.14Å; N217-W219 VanDerWaalsContact C-N 3.27Å; N217-W219 PolarHBondContact O-N 3.44Å; N217-W219 WeakPolarHBondContact OD1-CB 3.28Å; N217-W219 PolarHBondContact OD1-N 3.44Å; W219-A221 VanDerWaalsContact C-N 3.32Å; W219-A221 PolarHBondContact O-N 3.01Å; W219-H222 PolarHBondContact O-N 2.91Å; W219-R223 VanDerWaalsContact CE2-CD 3.5Å; W219-R223 VanDerWaalsContact CH2-CZ 3.42Å; W219-R223 VanDerWaalsContact CZ2-NH1 3.32Å; W219-R223 WeakPolarHBondContact O-CB 3.33Å; W219-R223 PolarHBondContact O-N 3.42Å; W219-R223 VanDerWaalsContact O-N 3.09Å; W219-R308 VanDerWaalsContact CZ3-CZ 3.4Å; W219-R308 VanDerWaalsContact CZ3-NH1 3.3Å
220A96.8Very high96Very high49 Ų4964.7 Ų64.741%0.40538%0.381SS..Hα-helixtrans-61.9-42.6176.300000111N217 H222 R223 D224N217-A220 HydrophobicContact CB-CB 4.11Å; N217-A220 VanDerWaalsContact CG-CB 3.48Å; N217-A220 PolarHBondContact O-N 3.22Å; N217-A220 PolarHBondContact OD1-N 3.33Å; A220-H222 PolarHBondContact O-N 3.49Å; A220-R223 CarbonylContact O-C 3.48Å; A220-R223 PolarHBondContact O-N 3.02Å; A220-D224 PolarHBondContact O-N 3.42Å
221A97.2Very high95.9Very high37 Ų3759 Ų5931%0.30636%0.358SS..Hα-helixtrans-60.6-42.3177.300000112.6N217 L218 W219 R223 F228 I255N217-A221 PolarHBondContact O-N 3.33Å; L218-A221 PolarHBondContact O-N 3.36Å; W219-A221 VanDerWaalsContact C-N 3.32Å; W219-A221 PolarHBondContact O-N 3.01Å; A221-R223 VanDerWaalsContact C-N 3.27Å; A221-R223 PolarHBondContact O-N 3.5Å; A221-F228 WeakPolarHBondContact O-CE2 3.3Å; A221-I255 HydrophobicContact CB-CD1 4.25Å
222H97.6Very high95.9Very high0 Ų059.5 Ų59.50%036%0.355CS..Hα-helixtrans-77.2-9.5179.1-70.7167.9000114.7R184 T187 L218 W219 A220 F228 I255R184-H222 HydrophobicContact CG-CB 3.79Å; R184-H222 PolarHBondContact NH1-O 3.31Å; T187-H222 PolarHBondContact OG1-ND1 3.4Å; L218-H222 WeakPolarHBondContact O-CB 3.3Å; L218-H222 PolarHBondContact O-N 2.97Å; W219-H222 PolarHBondContact O-N 2.91Å; A220-H222 PolarHBondContact O-N 3.49Å; H222-F228 WeakPolarHBondContact O-CD2 3.23Å; H222-I255 PolarHBondContact NE2-N 3.26Å
223R96.9Very high95.9Very high43 Ų4362.4 Ų62.416%0.16237%0.365CS..THydrogen-bonded Turntrans-119.110.4178.2-69.9-172.1167.7-141.5-13.9114W219 A220 A221 P225 P231 D232W219-R223 VanDerWaalsContact CE2-CD 3.5Å; W219-R223 VanDerWaalsContact CH2-CZ 3.42Å; W219-R223 VanDerWaalsContact CZ2-NH1 3.32Å; W219-R223 WeakPolarHBondContact O-CB 3.33Å; W219-R223 PolarHBondContact O-N 3.42Å; W219-R223 VanDerWaalsContact O-N 3.09Å; A220-R223 CarbonylContact O-C 3.48Å; A220-R223 PolarHBondContact O-N 3.02Å; A221-R223 VanDerWaalsContact C-N 3.27Å; A221-R223 PolarHBondContact O-N 3.5Å; R223-P225 VanDerWaalsContact O-CD 3.23Å; R223-P225 WeakPolarHBondContact O-CD 3.23Å; R223-P231 HydrophobicContact CB-CB 4.03Å; R223-P231 HydrophobicContact CG-CB 4.29Å; R223-P231 WeakPolarHBondContact O-CB 3.3Å; R223-P231 WeakPolarHBondContact O-CG 3.4Å; R223-D232 IonicContact CZ-OD1 2.81Å; R223-D232 IonicContact NE-OD1 3.44Å; R223-D232 IonicContact NH1-OD1 2.81Å; R223-D232 PolarHBondContact NH1-OD1 3.29Å; R223-D232 IonicContact NH2-OD1 3.55Å; R223-D232 PolarHBondContact NH2-OD1 3.48Å
224D97.8Very high96.1Very high59 Ų5958 Ų5832%0.31634%0.335SS..  trans-66112.9175.6-173.5-22.2000109.5A220 T226 V227 F228A220-D224 PolarHBondContact O-N 3.42Å; D224-T226 PolarHBondContact O-N 3.39Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.38Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.19Å; D224-T226 PolarHBondContact OD1-N 2.88Å; D224-T226 PolarHBondContact OD1-OG1 2.9Å; D224-T226 PolarHBondContact OD2-OG1 2.88Å; D224-V227 HydrophobicContact CB-CB 4.42Å; D224-V227 HydrophobicContact CB-CG2 4.25Å; D224-V227 PolarHBondContact O-N 3.22Å; D224-F228 PolarHBondContact O-N 2.99Å
225P97.3Very high96.3Very high96 Ų9658.2 Ų58.262%0.62333%0.334SS*.THydrogen-bonded Turntrans-67.8-14.8-177.529.8-35.9000113R223 V227 F228 P231R223-P225 VanDerWaalsContact O-CD 3.23Å; R223-P225 WeakPolarHBondContact O-CD 3.23Å; P225-V227 VanDerWaalsContact C-N 3.26Å; P225-F228 WeakPolarHBondContact CA-O 3.42Å; P225-P231 HydrophobicContact CB-CG 4.42Å
226T97.1Very high96.5Very high123 Ų12353.1 Ų53.176%0.75531%0.308SS*.THydrogen-bonded Turntrans-76.1-17.4173.473.40000112.5D224D224-T226 PolarHBondContact O-N 3.39Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.38Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.19Å; D224-T226 PolarHBondContact OD1-N 2.88Å; D224-T226 PolarHBondContact OD1-OG1 2.9Å; D224-T226 PolarHBondContact OD2-OG1 2.88Å
227V97.2Very high96.7Very high49 Ų4954.2 Ų54.230%0.29731%0.308SS..THydrogen-bonded Turntrans-108.9-43.7178.4-1770000111.3D224 P225 L250 R253D224-V227 HydrophobicContact CB-CB 4.42Å; D224-V227 HydrophobicContact CB-CG2 4.25Å; D224-V227 PolarHBondContact O-N 3.22Å; P225-V227 VanDerWaalsContact C-N 3.26Å; V227-L250 HydrophobicContact CG1-CD1 4.29Å; V227-L250 WeakPolarHBondContact O-CD1 3.41Å; V227-R253 HydrophobicContact CG1-CB 3.82Å; V227-R253 HydrophobicContact CG1-CG 3.87Å
228F97.4Very high96.7Very high1 Ų151.6 Ų51.60%0.00429%0.293CS..SBendtrans-118.6109.2-176.8-59.4-76.4000110.6R184 A221 H222 D224 P225 P231 F239 L250 R253 V254R184-F228 VanDerWaalsContact CD-CD1 3.44Å; R184-F228 HydrophobicContact CG-CE1 4.3Å; R184-F228 HydrophobicContact CG-CZ 4.26Å; A221-F228 WeakPolarHBondContact O-CE2 3.3Å; H222-F228 WeakPolarHBondContact O-CD2 3.23Å; D224-F228 PolarHBondContact O-N 2.99Å; P225-F228 WeakPolarHBondContact CA-O 3.42Å; F228-P231 HydrophobicContact CB-CB 4.48Å; F228-P231 WeakPolarHBondContact O-CD 3.48Å; F228-F239 HydrophobicContact CE1-CE1 4.2Å; F228-F239 HydrophobicContact CE1-CZ 4.25Å; F228-L250 HydrophobicContact CD1-CD1 4.09Å; F228-L250 HydrophobicContact CE1-CD1 3.92Å; F228-L250 HydrophobicContact CE1-CG 4.22Å; F228-R253 HydrophobicContact CZ-CB 3.92Å; F228-V254 HydrophobicContact CE1-CG2 3.96Å; F228-V254 HydrophobicContact CZ-CG2 3.92Å
229S95.2Very high96.8Very high81 Ų8151.2 Ų51.257%0.56629%0.291SS*.SBendtrans-60.1136.8172.5530000111.2R238S229-R238 VanDerWaalsContact O-CZ 3.26Å; S229-R238 PolarHBondContact O-NH1 3.48Å; S229-R238 PolarHBondContact O-NH2 3.29Å
230N96.3Very high96.9Very high97 Ų9749.3 Ų49.352%0.51929%0.285SS..SBendtrans44.664.9-175.3-56.6-16.8000112.2D232 E233 R238N230-D232 PolarHBondContact O-N 3.04Å; N230-D232 VanDerWaalsContact O-N 3.1Å; N230-E233 HydrophobicContact CB-CB 4.07Å; N230-E233 HydrophobicContact CB-CG 3.96Å; N230-E233 VanDerWaalsContact CB-OE2 3.28Å; N230-E233 WeakPolarHBondContact CB-OE2 3.44Å; N230-E233 PolarHBondContact ND2-OE2 3.23Å; N230-E233 PolarHBondContact O-N 2.79Å; N230-R238 PolarHBondContact O-NH2 2.86Å; N230-R238 VanDerWaalsContact O-NH2 3.12Å
231P96.2Very high96.8Very high18 Ų1850.3 Ų50.312%0.11728%0.284CS..THydrogen-bonded Turntrans-62.7-23.6-169.323.5-32.5000113.7R184 R223 P225 F228R184-P231 PolarHBondContact NH1-O 2.95Å; R184-P231 PolarHBondContact NH2-O 2.98Å; R184-P231 VanDerWaalsContact NH2-O 3.14Å; R223-P231 HydrophobicContact CB-CB 4.03Å; R223-P231 HydrophobicContact CG-CB 4.29Å; R223-P231 WeakPolarHBondContact O-CB 3.3Å; R223-P231 WeakPolarHBondContact O-CG 3.4Å; P225-P231 HydrophobicContact CB-CG 4.42Å; F228-P231 HydrophobicContact CB-CB 4.48Å; F228-P231 WeakPolarHBondContact O-CD 3.48Å
232D94.1Very high96.6Very high96 Ų9656.9 Ų56.951%0.51331%0.314SS..THydrogen-bonded Turntrans-82.5-9.1177.4-67.2-53.7000114.2F185 R223 N230F185-D232 WeakPolarHBondContact CE2-O 3.09Å; R223-D232 IonicContact CZ-OD1 2.81Å; R223-D232 IonicContact NE-OD1 3.44Å; R223-D232 IonicContact NH1-OD1 2.81Å; R223-D232 PolarHBondContact NH1-OD1 3.29Å; R223-D232 IonicContact NH2-OD1 3.55Å; R223-D232 PolarHBondContact NH2-OD1 3.48Å; N230-D232 PolarHBondContact O-N 3.04Å; N230-D232 VanDerWaalsContact O-N 3.1Å
233E95.2Very high96.4Very high105 Ų10563.6 Ų63.649%0.49135%0.35SS..SBendtrans-92.7132.1175.2-67.3178.417400110.3R184 N230 N235 R238R184-E233 PolarHBondContact NH2-O 2.9Å; N230-E233 HydrophobicContact CB-CB 4.07Å; N230-E233 HydrophobicContact CB-CG 3.96Å; N230-E233 VanDerWaalsContact CB-OE2 3.28Å; N230-E233 WeakPolarHBondContact CB-OE2 3.44Å; N230-E233 PolarHBondContact ND2-OE2 3.23Å; N230-E233 PolarHBondContact O-N 2.79Å; E233-N235 PolarHBondContact O-N 3.1Å; E233-R238 PolarHBondContact O-NH2 3.38Å
234F96.7Very high96.3Very high11 Ų1163 Ų635%0.04836%0.357CS..  trans-80.5106.9170.1-178.4-101.9000109.4L139 Y143 I146 F178 E181 V182 F185 P236L139-F234 HydrophobicContact CB-CD1 4.41Å; L139-F234 HydrophobicContact CB-CE1 4.05Å; L139-F234 HydrophobicContact CB-CE2 4.44Å; L139-F234 HydrophobicContact CB-CZ 4.08Å; L139-F234 HydrophobicContact CD1-CD2 3.79Å; L139-F234 HydrophobicContact CD1-CE2 3.54Å; L139-F234 HydrophobicContact CD1-CG 4.44Å; L139-F234 HydrophobicContact CD1-CZ 3.99Å; L139-F234 HydrophobicContact CD2-CB 4.15Å; L139-F234 HydrophobicContact CD2-CD1 4.11Å; L139-F234 HydrophobicContact CD2-CD2 3.9Å; L139-F234 HydrophobicContact CD2-CE2 4.36Å; L139-F234 HydrophobicContact CD2-CG 3.77Å; L139-F234 HydrophobicContact CG-CD2 4.34Å; L139-F234 HydrophobicContact CG-CE2 4.32Å; L139-F234 HydrophobicContact CG-CZ 4.46Å; Y143-F234 AromaticContact CD2-CD1 3.57Å; Y143-F234 HydrophobicContact CD2-CD1 3.57Å; Y143-F234 HydrophobicContact CD2-CE1 4.23Å; Y143-F234 HydrophobicContact CD2-CG 4.36Å; Y143-F234 HydrophobicContact CE2-CB 3.78Å; Y143-F234 AromaticContact CE2-CD1 3.69Å; Y143-F234 HydrophobicContact CE2-CD1 3.69Å; Y143-F234 HydrophobicContact CE2-CG 4.03Å; Y143-F234 HydrophobicContact CG-CD1 4.39Å; I146-F234 HydrophobicContact CD1-CD1 3.72Å; I146-F234 HydrophobicContact CD1-CE1 3.7Å; I146-F234 HydrophobicContact CG2-CE1 4.45Å; F178-F234 HydrophobicContact CD2-CE1 4.22Å; F178-F234 AromaticContact CD2-CZ 3.84Å; F178-F234 HydrophobicContact CD2-CZ 3.84Å; F178-F234 AromaticContact CE2-CE1 3.97Å; F178-F234 HydrophobicContact CE2-CE1 3.97Å; F178-F234 AromaticContact CE2-CZ 3.63Å; F178-F234 HydrophobicContact CE2-CZ 3.63Å; F178-F234 HydrophobicContact CZ-CZ 4.46Å; E181-F234 HydrophobicContact CB-CD2 4.48Å; E181-F234 HydrophobicContact CB-CE2 3.88Å; E181-F234 HydrophobicContact CB-CZ 4.36Å; E181-F234 HydrophobicContact CG-CD2 3.5Å; E181-F234 VanDerWaalsContact CG-CD2 3.5Å; E181-F234 HydrophobicContact CG-CE2 3.37Å; E181-F234 HydrophobicContact CG-CG 4.26Å; E181-F234 HydrophobicContact CG-CZ 4.07Å; V182-F234 HydrophobicContact CG2-CE2 4.02Å; V182-F234 HydrophobicContact CG2-CZ 4.01Å; F185-F234 HydrophobicContact CB-CD2 3.82Å; F185-F234 HydrophobicContact CB-CE2 4.42Å; F185-F234 HydrophobicContact CD1-CD2 4.39Å; F185-F234 HydrophobicContact CD2-CB 3.93Å; F185-F234 HydrophobicContact CD2-CD2 4.19Å; F185-F234 HydrophobicContact CE2-CB 4.01Å; F185-F234 HydrophobicContact CG-CB 4.36Å; F185-F234 AromaticContact CG-CD2 3.88Å; F185-F234 HydrophobicContact CG-CD2 3.88Å; F234-P236 HydrophobicContact CE1-CG 3.91Å; F234-P236 HydrophobicContact CZ-CG 4.06Å
235N97.3Very high96.2Very high58 Ų5863 Ų6331%0.3136%0.361SS..  trans-141.999.7-178.1-177.910000111.7E181 E233 D237 R238E181-N235 PolarHBondContact OE1-N 3.45Å; E233-N235 PolarHBondContact O-N 3.1Å; N235-D237 PolarHBondContact O-N 2.81Å; N235-D237 VanDerWaalsContact OD1-CB 3.29Å; N235-D237 WeakPolarHBondContact OD1-CB 3.46Å; N235-D237 PolarHBondContact OD1-N 2.91Å; N235-R238 VanDerWaalsContact O-CG 3.24Å; N235-R238 WeakPolarHBondContact O-CG 3.44Å; N235-R238 PolarHBondContact O-N 3.4Å
236P98.1Very high96.2Very high0 Ų059.2 Ų59.20%034%0.335CS..G310 helixtrans-57.1-31.1174.3-27.937000114I146 Y174 A177 F178 E181 F234 R238 F239I146-P236 HydrophobicContact CD1-CG 4.02Å; I146-P236 HydrophobicContact CG2-CG 3.97Å; Y174-P236 HydrophobicContact CE2-CB 4.05Å; A177-P236 WeakPolarHBondContact CB-O 3.39Å; F178-P236 HydrophobicContact CB-CB 4.32Å; F178-P236 HydrophobicContact CB-CG 4.32Å; F178-P236 HydrophobicContact CD2-CG 4.02Å; E181-P236 HydrophobicContact CB-CG 4.47Å; F234-P236 HydrophobicContact CE1-CG 3.91Å; F234-P236 HydrophobicContact CZ-CG 4.06Å; P236-R238 PolarHBondContact O-N 3.06Å; P236-F239 PolarHBondContact O-N 3.17Å; P236-F239 VanDerWaalsContact O-N 3.17Å
237D97.6Very high96.2Very high60 Ų6056.4 Ų56.432%0.32132%0.316SS..G310 helixtrans-63.1-16.7-178-71-45.5000113.3R149 Y174 N235 F239 L240R149-D237 IonicContact CZ-OD1 2.67Å; R149-D237 IonicContact CZ-OD2 3.44Å; R149-D237 IonicContact NH1-OD1 3.98Å; R149-D237 PolarHBondContact NH1-OD1 3.48Å; R149-D237 IonicContact NH1-OD2 3.33Å; R149-D237 PolarHBondContact NH1-OD2 3.36Å; R149-D237 IonicContact NH2-OD1 3.1Å; R149-D237 PolarHBondContact NH2-OD1 2.97Å; Y174-D237 WeakPolarHBondContact CE2-OD1 3.33Å; N235-D237 PolarHBondContact O-N 2.81Å; N235-D237 VanDerWaalsContact OD1-CB 3.29Å; N235-D237 WeakPolarHBondContact OD1-CB 3.46Å; N235-D237 PolarHBondContact OD1-N 2.91Å; D237-F239 PolarHBondContact O-N 3.23Å; D237-F239 VanDerWaalsContact O-N 3.09Å; D237-L240 PolarHBondContact O-N 3.05Å
238R97.1Very high96.1Very high26 Ų2661.8 Ų61.810%0.09833%0.331CS..G310 helixtrans-57.9-26175.677.8173.156.2-99.35.6113.2E181 S229 N230 E233 N235 P236 L250E181-R238 IonicContact OE1-CZ 2.68Å; E181-R238 IonicContact OE1-NE 3.84Å; E181-R238 PolarHBondContact OE1-NE 2.89Å; E181-R238 IonicContact OE1-NH2 2.73Å; E181-R238 WeakPolarHBondContact OE2-CD 3.49Å; E181-R238 IonicContact OE2-NE 3.72Å; E181-R238 PolarHBondContact OE2-NE 2.73Å; S229-R238 VanDerWaalsContact O-CZ 3.26Å; S229-R238 PolarHBondContact O-NH1 3.48Å; S229-R238 PolarHBondContact O-NH2 3.29Å; N230-R238 PolarHBondContact O-NH2 2.86Å; N230-R238 VanDerWaalsContact O-NH2 3.12Å; E233-R238 PolarHBondContact O-NH2 3.38Å; N235-R238 VanDerWaalsContact O-CG 3.24Å; N235-R238 WeakPolarHBondContact O-CG 3.44Å; N235-R238 PolarHBondContact O-N 3.4Å; P236-R238 PolarHBondContact O-N 3.06Å; R238-L250 HydrophobicContact CG-CD2 4.4Å; R238-L250 WeakPolarHBondContact O-CD2 3.36Å
239F98Very high96Very high0 Ų069 Ų690%036%0.362CS..G310 helixtrans-94.68.8-179.1-62-68000113.1A177 N180 E181 F228 P236 D237 L246 D247 L250 L251 V254A177-F239 HydrophobicContact CB-CB 3.96Å; N180-F239 HydrophobicContact CB-CD2 4.33Å; N180-F239 HydrophobicContact CB-CE2 4.15Å; N180-F239 HydrophobicContact CB-CZ 4.4Å; E181-F239 HydrophobicContact CB-CD2 4.2Å; E181-F239 HydrophobicContact CB-CE2 3.77Å; E181-F239 VanDerWaalsContact OE2-CE2 3.24Å; E181-F239 WeakPolarHBondContact OE2-CE2 3.26Å; F228-F239 HydrophobicContact CE1-CE1 4.2Å; F228-F239 HydrophobicContact CE1-CZ 4.25Å; P236-F239 PolarHBondContact O-N 3.17Å; P236-F239 VanDerWaalsContact O-N 3.17Å; D237-F239 PolarHBondContact O-N 3.23Å; D237-F239 VanDerWaalsContact O-N 3.09Å; F239-L246 CarbonylContact O-C 3.57Å; F239-L246 WeakPolarHBondContact O-CA 3.15Å; F239-D247 PolarHBondContact O-N 3.08Å; F239-L250 HydrophobicContact CD1-CB 4.29Å; F239-L250 HydrophobicContact CD1-CD2 3.84Å; F239-L250 HydrophobicContact CD1-CG 3.96Å; F239-L250 HydrophobicContact CE1-CD2 3.98Å; F239-L250 HydrophobicContact CE1-CG 3.86Å; F239-L251 HydrophobicContact CB-CD2 4.11Å; F239-L251 HydrophobicContact CB-CG 4.49Å; F239-L251 HydrophobicContact CD1-CD2 3.57Å; F239-L251 HydrophobicContact CD1-CG 3.99Å; F239-L251 HydrophobicContact CE1-CD2 4.09Å; F239-L251 HydrophobicContact CG-CD2 3.82Å; F239-L251 HydrophobicContact CG-CG 4.48Å; F239-V254 HydrophobicContact CE1-CG2 3.55Å; F239-V254 HydrophobicContact CZ-CG2 3.49Å; F239-V254 VanDerWaalsContact CZ-CG2 3.49Å
240L97.6Very high96.1Very high27 Ų2766.4 Ų66.414%0.14134%0.342CS..BIsolated β-bridgetrans-115.9138.1179.7-61.8176.4000110.5N173 Y174 A177 D237 C245 L246N173-L240 HydrophobicContact CB-CD2 4.2Å; Y174-L240 HydrophobicContact CD2-CD1 3.68Å; Y174-L240 HydrophobicContact CE2-CD1 4.43Å; A177-L240 HydrophobicContact CB-CD1 4.4Å; A177-L240 HydrophobicContact CB-CD2 4.11Å; A177-L240 HydrophobicContact CB-CG 4.05Å; D237-L240 PolarHBondContact O-N 3.05Å; L240-C245 CarbonylContact C-O 3.49Å; L240-C245 WeakPolarHBondContact CA-O 3.44Å; L240-L246 HydrophobicContact CD2-CD2 3.88Å; L240-L246 HydrophobicContact CD2-CG 4.42Å
241D94.9Very high96.1Very high70 Ų7062.7 Ų62.737%0.37432%0.322SS..  trans-80.5178.9168.171.715.7000111.6N243 G244 C245D241-N243 PolarHBondContact O-N 3.17Å; D241-N243 WeakPolarHBondContact OD1-CA 3.31Å; D241-N243 WeakPolarHBondContact OD1-CB 3.33Å; D241-N243 PolarHBondContact OD1-N 3.25Å; D241-G244 PolarHBondContact O-N 2.96Å; D241-G244 PolarHBondContact OD1-N 3.27Å; D241-G244 VanDerWaalsContact OD1-N 3.13Å; D241-C245 PolarHBondContact N-O 3.31Å; D241-C245 WeakPolarHBondContact OD1-CB 3.36Å; D241-C245 PolarHBondContact OD1-N 3.1Å; D241-C245 WeakPolarHBondContact OD2-CB 3.49Å
242N92.8Very high96.1Very high174 Ų17465.8 Ų65.893%0.9334%0.344SS*.THydrogen-bonded Turntrans-61.5-16.4-179.8-65.8-20.5000114
243N93.8Very high96.2Very high141 Ų14167.8 Ų67.875%0.75434%0.344SS*.THydrogen-bonded Turntrans-97.73.7177.4-58.2-44.2000112.3D241 C245D241-N243 PolarHBondContact O-N 3.17Å; D241-N243 WeakPolarHBondContact OD1-CA 3.31Å; D241-N243 WeakPolarHBondContact OD1-CB 3.33Å; D241-N243 PolarHBondContact OD1-N 3.25Å; N243-C245 VanDerWaalsContact C-N 3.26Å; N243-C245 PolarHBondContact O-N 3.41Å
244G94Very high96.3Very high31 Ų3163.1 Ų63.132%0.3232%0.323SS..SBendtrans72.817.8-174.900000113.7N173 D241N173-G244 PolarHBondContact ND2-O 2.9Å; N173-G244 VanDerWaalsContact ND2-O 3.09Å; D241-G244 PolarHBondContact O-N 2.96Å; D241-G244 PolarHBondContact OD1-N 3.27Å; D241-G244 VanDerWaalsContact OD1-N 3.13Å
245C96.2Very high96.3Very high59 Ų5965 Ų6540%0.39933%0.333SS..  trans-90.3147.5174.1-71.60000110.8L240 D241 N243 D247L240-C245 CarbonylContact C-O 3.49Å; L240-C245 WeakPolarHBondContact CA-O 3.44Å; D241-C245 PolarHBondContact N-O 3.31Å; D241-C245 WeakPolarHBondContact OD1-CB 3.36Å; D241-C245 PolarHBondContact OD1-N 3.1Å; D241-C245 WeakPolarHBondContact OD2-CB 3.49Å; N243-C245 VanDerWaalsContact C-N 3.26Å; N243-C245 PolarHBondContact O-N 3.41Å; C245-D247 PolarHBondContact O-N 3.17Å
246L97.3Very high96.2Very high16 Ų1663.1 Ų63.18%0.08432%0.324CS..BIsolated β-bridgetrans-67.9125.2-178.5-71.9168.7000112N173 E176 A177 F239 L240 R248 L251N173-L246 HydrophobicContact CB-CG 4.12Å; N173-L246 VanDerWaalsContact O-CD2 3.31Å; N173-L246 WeakPolarHBondContact O-CD2 3.26Å; E176-L246 HydrophobicContact CB-CD1 3.68Å; E176-L246 HydrophobicContact CB-CD2 4.06Å; E176-L246 HydrophobicContact CB-CG 4.49Å; E176-L246 HydrophobicContact CG-CD1 4.14Å; A177-L246 HydrophobicContact CB-CD2 4Å; F239-L246 CarbonylContact O-C 3.57Å; F239-L246 WeakPolarHBondContact O-CA 3.15Å; L240-L246 HydrophobicContact CD2-CD2 3.88Å; L240-L246 HydrophobicContact CD2-CG 4.42Å; L246-R248 PolarHBondContact O-N 3.26Å; L246-L251 HydrophobicContact CB-CD1 3.94Å; L246-L251 HydrophobicContact CD1-CD1 4.36Å; L246-L251 HydrophobicContact CD2-CD1 4.15Å; L246-L251 HydrophobicContact CG-CD1 4.39Å
247D96.8Very high96.2Very high64 Ų6464 Ų6434%0.34233%0.328SS..  trans-70.892.1168-176-14.6000109.8F239 C245 K249 L250 L251F239-D247 PolarHBondContact O-N 3.08Å; C245-D247 PolarHBondContact O-N 3.17Å; D247-K249 PolarHBondContact O-N 3.37Å; D247-K249 WeakPolarHBondContact OD1-CA 3.34Å; D247-K249 VanDerWaalsContact OD1-CB 3.3Å; D247-K249 WeakPolarHBondContact OD1-CB 3.27Å; D247-K249 PolarHBondContact OD1-N 2.95Å; D247-L250 HydrophobicContact CB-CB 4.12Å; D247-L250 PolarHBondContact O-N 2.94Å; D247-L250 PolarHBondContact OD1-N 2.66Å; D247-L251 WeakPolarHBondContact O-CB 3.37Å; D247-L251 VanDerWaalsContact O-CG 3.31Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.27Å
248R95.1Very high96.1Very high162 Ų16262.3 Ų62.361%0.61132%0.321SS*.Hα-helixtrans-60.6-30.4179.1-60.3-58-175.5-177.7-2.5112.6L246 S252L246-R248 PolarHBondContact O-N 3.26Å; R248-S252 PolarHBondContact O-N 2.93Å; R248-S252 VanDerWaalsContact O-N 3.16Å
249K95.8Very high96Very high153 Ų15365.7 Ų65.767%0.66534%0.344SS*.Hα-helixtrans-70-47.2179-177-176.1176.6-175.40109.6D247 S252D247-K249 PolarHBondContact O-N 3.37Å; D247-K249 WeakPolarHBondContact OD1-CA 3.34Å; D247-K249 VanDerWaalsContact OD1-CB 3.3Å; D247-K249 WeakPolarHBondContact OD1-CB 3.27Å; D247-K249 PolarHBondContact OD1-N 2.95Å; K249-S252 PolarHBondContact O-N 2.87Å; K249-S252 PolarHBondContact O-OG 3.16Å
250L96.9Very high95.9Very high26 Ų2668 Ų6814%0.13637%0.368CS..Hα-helixtrans-68-40.2177.8-169.665.5000112V227 F228 R238 F239 D247 S252 R253V227-L250 HydrophobicContact CG1-CD1 4.29Å; V227-L250 WeakPolarHBondContact O-CD1 3.41Å; F228-L250 HydrophobicContact CD1-CD1 4.09Å; F228-L250 HydrophobicContact CE1-CD1 3.92Å; F228-L250 HydrophobicContact CE1-CG 4.22Å; R238-L250 HydrophobicContact CG-CD2 4.4Å; R238-L250 WeakPolarHBondContact O-CD2 3.36Å; F239-L250 HydrophobicContact CD1-CB 4.29Å; F239-L250 HydrophobicContact CD1-CD2 3.84Å; F239-L250 HydrophobicContact CD1-CG 3.96Å; F239-L250 HydrophobicContact CE1-CD2 3.98Å; F239-L250 HydrophobicContact CE1-CG 3.86Å; D247-L250 HydrophobicContact CB-CB 4.12Å; D247-L250 PolarHBondContact O-N 2.94Å; D247-L250 PolarHBondContact OD1-N 2.66Å; L250-S252 PolarHBondContact O-N 3.04Å; L250-R253 VanDerWaalsContact O-CB 3.27Å; L250-R253 WeakPolarHBondContact O-CB 3.36Å; L250-R253 PolarHBondContact O-N 3.11Å
251L96.7Very high95.7Very high20 Ų2071.6 Ų71.611%0.10540%0.402CS..Hα-helixtrans-56-38.3174.6-75.5174.5000112.7N180 F239 L246 D247 R253 V254N180-L251 HydrophobicContact CB-CD2 3.48Å; N180-L251 VanDerWaalsContact CB-CD2 3.48Å; F239-L251 HydrophobicContact CB-CD2 4.11Å; F239-L251 HydrophobicContact CB-CG 4.49Å; F239-L251 HydrophobicContact CD1-CD2 3.57Å; F239-L251 HydrophobicContact CD1-CG 3.99Å; F239-L251 HydrophobicContact CE1-CD2 4.09Å; F239-L251 HydrophobicContact CG-CD2 3.82Å; F239-L251 HydrophobicContact CG-CG 4.48Å; L246-L251 HydrophobicContact CB-CD1 3.94Å; L246-L251 HydrophobicContact CD1-CD1 4.36Å; L246-L251 HydrophobicContact CD2-CD1 4.15Å; L246-L251 HydrophobicContact CG-CD1 4.39Å; D247-L251 WeakPolarHBondContact O-CB 3.37Å; D247-L251 VanDerWaalsContact O-CG 3.31Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.27Å; L251-R253 PolarHBondContact O-N 2.91Å; L251-R253 VanDerWaalsContact O-N 3.17Å; L251-V254 WeakPolarHBondContact O-CB 3.31Å; L251-V254 PolarHBondContact O-N 3.45Å; L251-V254 VanDerWaalsContact O-N 3.08Å
252S95.8Very high95.8Very high82 Ų8277.3 Ų77.357%0.57342%0.418SS*.THydrogen-bonded Turntrans-65.4-14.5177.377.40000114.2R248 K249 L250R248-S252 PolarHBondContact O-N 2.93Å; R248-S252 VanDerWaalsContact O-N 3.16Å; K249-S252 PolarHBondContact O-N 2.87Å; K249-S252 PolarHBondContact O-OG 3.16Å; L250-S252 PolarHBondContact O-N 3.04Å
253R96.9Very high95.9Very high138 Ų13875.5 Ų75.552%0.52140%0.398SS..THydrogen-bonded Turntrans-84.8-12.7175.2-55.6-63.2-171.21673112.9V227 F228 L250 L251 I255V227-R253 HydrophobicContact CG1-CB 3.82Å; V227-R253 HydrophobicContact CG1-CG 3.87Å; F228-R253 HydrophobicContact CZ-CB 3.92Å; L250-R253 VanDerWaalsContact O-CB 3.27Å; L250-R253 WeakPolarHBondContact O-CB 3.36Å; L250-R253 PolarHBondContact O-N 3.11Å; L251-R253 PolarHBondContact O-N 2.91Å; L251-R253 VanDerWaalsContact O-N 3.17Å; R253-I255 PolarHBondContact O-N 2.68Å
254V97Very high96Very high7 Ų771.1 Ų71.14%0.04238%0.378CS..  trans-85.9104.6175.9-176.70000107.9L183 R184 F228 F239 L251 P256L183-V254 HydrophobicContact CB-CG1 4.48Å; R184-V254 HydrophobicContact CB-CG1 4.01Å; R184-V254 HydrophobicContact CB-CG2 4.28Å; F228-V254 HydrophobicContact CE1-CG2 3.96Å; F228-V254 HydrophobicContact CZ-CG2 3.92Å; F239-V254 HydrophobicContact CE1-CG2 3.55Å; F239-V254 HydrophobicContact CZ-CG2 3.49Å; F239-V254 VanDerWaalsContact CZ-CG2 3.49Å; L251-V254 WeakPolarHBondContact O-CB 3.31Å; L251-V254 PolarHBondContact O-N 3.45Å; L251-V254 VanDerWaalsContact O-N 3.08Å; V254-P256 HydrophobicContact CG1-CG 4.2Å; V254-P256 WeakPolarHBondContact O-CD 3.29Å
255I97.1Very high96Very high51 Ų5175.9 Ų75.926%0.26240%0.403SS..  trans-115.548-17355.6166.3000113.7L218 A221 H222 R253 F257 S258L218-I255 HydrophobicContact CD2-CD1 3.86Å; L218-I255 HydrophobicContact CD2-CG1 4.15Å; A221-I255 HydrophobicContact CB-CD1 4.25Å; H222-I255 PolarHBondContact NE2-N 3.26Å; R253-I255 PolarHBondContact O-N 2.68Å; I255-F257 PolarHBondContact O-N 3.39Å; I255-F257 VanDerWaalsContact O-N 3.11Å; I255-S258 PolarHBondContact O-N 3.4Å
256P95.7Very high95.9Very high19 Ų1974.4 Ų74.412%0.12340%0.398CS..THydrogen-bonded Turntrans-66.2-17.7-176.831.5-38.6000112.9L183 V254L183-P256 HydrophobicContact CB-CB 4.06Å; L183-P256 HydrophobicContact CB-CG 3.83Å; L183-P256 HydrophobicContact CD1-CG 4.1Å; L183-P256 HydrophobicContact CD2-CG 4.47Å; L183-P256 HydrophobicContact CG-CG 4.36Å; V254-P256 HydrophobicContact CG1-CG 4.2Å; V254-P256 WeakPolarHBondContact O-CD 3.29Å
257F96.8Very high95.9Very high19 Ų1975 Ų758%0.08340%0.4CS..THydrogen-bonded Turntrans-102.316.7178.7-63.8-73.1000112.5L183 I255 R263 C264 E267 A270 R271L183-F257 HydrophobicContact CD1-CE2 4.01Å; L183-F257 HydrophobicContact CD2-CE2 4.41Å; L183-F257 HydrophobicContact CD2-CZ 4.35Å; I255-F257 PolarHBondContact O-N 3.39Å; I255-F257 VanDerWaalsContact O-N 3.11Å; F257-R263 WeakPolarHBondContact O-CA 3.42Å; F257-C264 HydrophobicContact CB-CB 3.81Å; F257-C264 HydrophobicContact CD1-CB 3.77Å; F257-C264 HydrophobicContact CG-CB 4.24Å; F257-C264 PolarHBondContact O-N 3.45Å; F257-E267 HydrophobicContact CB-CB 3.98Å; F257-E267 HydrophobicContact CB-CG 4.16Å; F257-E267 HydrophobicContact CD1-CB 3.86Å; F257-E267 HydrophobicContact CD1-CG 4.27Å; F257-E267 HydrophobicContact CD2-CB 3.97Å; F257-E267 VanDerWaalsContact CD2-CD 3.44Å; F257-E267 HydrophobicContact CD2-CG 3.45Å; F257-E267 VanDerWaalsContact CD2-CG 3.45Å; F257-E267 WeakPolarHBondContact CD2-OE1 3.47Å; F257-E267 HydrophobicContact CE1-CB 4.35Å; F257-E267 HydrophobicContact CE2-CB 4.47Å; F257-E267 HydrophobicContact CE2-CG 3.87Å; F257-E267 HydrophobicContact CG-CB 3.65Å; F257-E267 HydrophobicContact CG-CG 3.69Å; F257-E267 HydrophobicContact CZ-CG 4.43Å; F257-A270 HydrophobicContact CE1-CB 3.75Å; F257-A270 HydrophobicContact CZ-CB 3.83Å; F257-R271 HydrophobicContact CE2-CG 3.88Å; F257-R271 HydrophobicContact CZ-CG 4.23Å
258S95.7Very high95.8Very high24 Ų2475.7 Ų75.717%0.16841%0.409CS..  trans58.7-167.6-170-1650000112.2I255I255-S258 PolarHBondContact O-N 3.4Å
259T95.2Very high95.7Very high97 Ų9770.7 Ų70.760%0.59539%0.393SS*.  trans-144.2171.6178.1-171.70000110.9
260G95.4Very high95.6Very high48 Ų4864.1 Ų64.150%0.49537%0.368SS..G310 helixtrans71.4-154.9178.200000114.4R262 R263G260-R262 PolarHBondContact O-N 2.84Å; G260-R263 WeakPolarHBondContact O-CB 3.14Å; G260-R263 WeakPolarHBondContact O-CG 3.41Å; G260-R263 PolarHBondContact O-N 3.43Å; G260-R263 VanDerWaalsContact O-N 3.14Å
261A94.8Very high95.6Very high103 Ų10364.8 Ų64.885%0.85137%0.369SS*.G310 helixtrans-66.4-18.5-170.300000115.1
262R95.2Very high95.5Very high189 Ų18967.4 Ų67.471%0.71338%0.381SS*.G310 helixtrans-11219.7177.6-53.3-59.7-64.8143.1-3.4112.4G260G260-R262 PolarHBondContact O-N 2.84Å
263R95.2Very high95.4Very high136 Ų13664.5 Ų64.551%0.51336%0.359SS..SBendtrans-57.7149.317172.8179.7-67.8175.90.9110.1F257 G260 P265 E267F257-R263 WeakPolarHBondContact O-CA 3.42Å; G260-R263 WeakPolarHBondContact O-CB 3.14Å; G260-R263 WeakPolarHBondContact O-CG 3.41Å; G260-R263 PolarHBondContact O-N 3.43Å; G260-R263 VanDerWaalsContact O-N 3.14Å; R263-P265 WeakPolarHBondContact O-CD 3.29Å; R263-E267 IonicContact CZ-OE2 2.65Å; R263-E267 IonicContact NE-OE2 2.79Å; R263-E267 IonicContact NH2-OE2 3.5Å; R263-E267 PolarHBondContact NH2-OE2 2.93Å
264C96.8Very high95.3Very high49 Ų4958.3 Ų58.333%0.33134%0.335SS..  trans-58.6122.5-178.8-176.40000111.1F257 G266 E267F257-C264 HydrophobicContact CB-CB 3.81Å; F257-C264 HydrophobicContact CD1-CB 3.77Å; F257-C264 HydrophobicContact CG-CB 4.24Å; F257-C264 PolarHBondContact O-N 3.45Å; C264-G266 PolarHBondContact O-N 3.21Å; C264-G266 PolarHBondContact SG-N 2.98Å; C264-G266 VanDerWaalsContact SG-N 3.39Å; C264-E267 HydrophobicContact CB-CB 4.5Å; C264-E267 PolarHBondContact O-N 3.42Å
265P94.4Very high95.4Very high132 Ų13258 Ų5886%0.85733%0.333SS*.THydrogen-bonded Turntrans-69.7-24.2175.728.2-34.2000112.2R263R263-P265 WeakPolarHBondContact O-CD 3.29Å
266G94.4Very high95.3Very high28 Ų2857.8 Ų57.829%0.28933%0.333SS..THydrogen-bonded Turntrans-85.73.9179.700000115.2C264 L269 A270C264-G266 PolarHBondContact O-N 3.21Å; C264-G266 PolarHBondContact SG-N 2.98Å; C264-G266 VanDerWaalsContact SG-N 3.39Å; G266-L269 PolarHBondContact O-N 3.35Å; G266-A270 WeakPolarHBondContact O-CB 3.47Å; G266-A270 PolarHBondContact O-N 2.92Å
267E95.7Very high95.3Very high27 Ų2758.4 Ų58.413%0.12634%0.335CS..Hα-helixtrans-53-48.8-176.8167.5171.7-160.100113.7F257 R263 C264 L269 A270 R271F257-E267 HydrophobicContact CB-CB 3.98Å; F257-E267 HydrophobicContact CB-CG 4.16Å; F257-E267 HydrophobicContact CD1-CB 3.86Å; F257-E267 HydrophobicContact CD1-CG 4.27Å; F257-E267 HydrophobicContact CD2-CB 3.97Å; F257-E267 VanDerWaalsContact CD2-CD 3.44Å; F257-E267 HydrophobicContact CD2-CG 3.45Å; F257-E267 VanDerWaalsContact CD2-CG 3.45Å; F257-E267 WeakPolarHBondContact CD2-OE1 3.47Å; F257-E267 HydrophobicContact CE1-CB 4.35Å; F257-E267 HydrophobicContact CE2-CB 4.47Å; F257-E267 HydrophobicContact CE2-CG 3.87Å; F257-E267 HydrophobicContact CG-CB 3.65Å; F257-E267 HydrophobicContact CG-CG 3.69Å; F257-E267 HydrophobicContact CZ-CG 4.43Å; R263-E267 IonicContact CZ-OE2 2.65Å; R263-E267 IonicContact NE-OE2 2.79Å; R263-E267 IonicContact NH2-OE2 3.5Å; R263-E267 PolarHBondContact NH2-OE2 2.93Å; C264-E267 HydrophobicContact CB-CB 4.5Å; C264-E267 PolarHBondContact O-N 3.42Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.4Å; E267-A270 PolarHBondContact O-N 2.87Å; E267-R271 HydrophobicContact CG-CG 4.39Å; E267-R271 WeakPolarHBondContact O-CG 3.25Å; E267-R271 PolarHBondContact O-N 3.13Å; E267-R271 IonicContact OE1-CZ 3.78Å; E267-R271 IonicContact OE1-NE 3.21Å; E267-R271 PolarHBondContact OE1-NE 3.21Å; E267-R271 IonicContact OE1-NH2 3.75Å; E267-R271 PolarHBondContact OE1-NH2 3.17Å
268P94.6Very high95.3Very high80 Ų8057.5 Ų57.552%0.51933%0.331SS..Hα-helixtrans-57.9-45.5179.9-25.435.5000112.1R271 Q272P268-R271 PolarHBondContact O-N 3.35Å; P268-Q272 WeakPolarHBondContact O-CB 3.13Å; P268-Q272 WeakPolarHBondContact O-CG 3.24Å; P268-Q272 PolarHBondContact O-N 3.32Å
269L93.5Very high95.4Very high56 Ų5656.3 Ų56.329%0.29332%0.323SS..Hα-helixtrans-64.5-46.6179.4178.569.3000111.7L12 G266 E267 R271 Q272 N273L12-L269 HydrophobicContact CD2-CD1 3.72Å; L12-L269 HydrophobicContact CD2-CD2 3.23Å; L12-L269 HydrophobicContact CD2-CG 4.1Å; G266-L269 PolarHBondContact O-N 3.35Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.4Å; L269-R271 VanDerWaalsContact C-N 3.33Å; L269-R271 PolarHBondContact O-N 3.15Å; L269-Q272 PolarHBondContact O-N 2.83Å; L269-N273 WeakPolarHBondContact CD1-ND2 3.33Å; L269-N273 WeakPolarHBondContact O-CB 3.37Å; L269-N273 PolarHBondContact O-N 3.09Å
270A94.7Very high95.5Very high16 Ų1653 Ų5313%0.13230%0.302CS..Hα-helixtrans-60.1-44.2-179.600000111.4F257 G266 E267 L274F257-A270 HydrophobicContact CE1-CB 3.75Å; F257-A270 HydrophobicContact CZ-CB 3.83Å; G266-A270 WeakPolarHBondContact O-CB 3.47Å; G266-A270 PolarHBondContact O-N 2.92Å; E267-A270 PolarHBondContact O-N 2.87Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.28Å; A270-L274 PolarHBondContact O-N 3.49Å
271R96Very high95.5Very high39 Ų3952.2 Ų52.215%0.14729%0.285CS..Hα-helixtrans-64.8-45.3176.8-71-178.9179.1-86.86.6112.1N180 F257 E267 P268 L269 F275N180-R271 PolarHBondContact OD1-NH1 3.31Å; F257-R271 HydrophobicContact CE2-CG 3.88Å; F257-R271 HydrophobicContact CZ-CG 4.23Å; E267-R271 HydrophobicContact CG-CG 4.39Å; E267-R271 WeakPolarHBondContact O-CG 3.25Å; E267-R271 PolarHBondContact O-N 3.13Å; E267-R271 IonicContact OE1-CZ 3.78Å; E267-R271 IonicContact OE1-NE 3.21Å; E267-R271 PolarHBondContact OE1-NE 3.21Å; E267-R271 IonicContact OE1-NH2 3.75Å; E267-R271 PolarHBondContact OE1-NH2 3.17Å; P268-R271 PolarHBondContact O-N 3.35Å; L269-R271 VanDerWaalsContact C-N 3.33Å; L269-R271 PolarHBondContact O-N 3.15Å; R271-F275 WeakPolarHBondContact O-CB 3.09Å; R271-F275 PolarHBondContact O-N 3.39Å
272Q95.2Very high95.6Very high76 Ų7647.3 Ų47.336%0.35525%0.245SC..Hα-helixtrans-62.4-48.1179.1-72.5173.3-8.600112M166 P268 L269 F275 L276M166-Q272 HydrophobicContact CE-CB 4.32Å; M166-Q272 HydrophobicContact CE-CG 3.61Å; M166-Q272 HydrophobicContact SD-CB 3.96Å; M166-Q272 HydrophobicContact SD-CG 3.89Å; P268-Q272 WeakPolarHBondContact O-CB 3.13Å; P268-Q272 WeakPolarHBondContact O-CG 3.24Å; P268-Q272 PolarHBondContact O-N 3.32Å; L269-Q272 PolarHBondContact O-N 2.83Å; Q272-F275 PolarHBondContact O-N 3.07Å; Q272-L276 WeakPolarHBondContact O-CB 3.33Å; Q272-L276 WeakPolarHBondContact O-CG 3.23Å; Q272-L276 PolarHBondContact O-N 2.65Å
273N93.3Very high95.7Very high21 Ų2138.5 Ų38.511%0.11221%0.212CC..Hα-helixtrans-63.1-47.1-179.9-76.2-18.1000111.6F5 L269 F275 L276 I277F5-N273 HydrophobicContact CE1-CB 4.42Å; L269-N273 WeakPolarHBondContact CD1-ND2 3.33Å; L269-N273 WeakPolarHBondContact O-CB 3.37Å; L269-N273 PolarHBondContact O-N 3.09Å; N273-F275 VanDerWaalsContact C-N 3.33Å; N273-F275 PolarHBondContact O-N 2.95Å; N273-L276 PolarHBondContact O-N 2.79Å; N273-I277 WeakPolarHBondContact O-CB 3.49Å; N273-I277 WeakPolarHBondContact O-CD1 3.25Å; N273-I277 VanDerWaalsContact O-CG1 3.26Å; N273-I277 WeakPolarHBondContact O-CG1 3.33Å; N273-I277 PolarHBondContact O-N 3.46Å
274L95.2Very high95.7Very high7 Ų734.4 Ų34.44%0.03720%0.197CC..Hα-helixtrans-60.9-45.3177.8-173.665.8000110.9N132 A133 A136 M179 L183 A270 I278N132-L274 HydrophobicContact CB-CD1 4.43Å; N132-L274 HydrophobicContact CB-CD2 4.18Å; A133-L274 HydrophobicContact CB-CD1 4.16Å; A136-L274 HydrophobicContact CB-CD1 4.44Å; M179-L274 HydrophobicContact SD-CD2 4.23Å; M179-L274 HydrophobicContact SD-CG 3.98Å; L183-L274 HydrophobicContact CD2-CD2 4.43Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.28Å; A270-L274 PolarHBondContact O-N 3.49Å; L274-I278 HydrophobicContact CD1-CD1 4.46Å; L274-I278 HydrophobicContact CD1-CG1 3.86Å; L274-I278 HydrophobicContact CG-CG1 4.33Å; L274-I278 WeakPolarHBondContact O-CB 3.31Å; L274-I278 VanDerWaalsContact O-CG1 3.25Å; L274-I278 WeakPolarHBondContact O-CG1 3.45Å; L274-I278 PolarHBondContact O-N 2.97Å
275F97.5Very high95.7Very high0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-57.2-55.5177.2-179.9-90.7000111.8V164 M166 R169 L172 A175 E176 M179 R271 Q272 N273 I277 T279V164-F275 HydrophobicContact CG1-CE1 3.94Å; V164-F275 HydrophobicContact CG1-CZ 4.43Å; M166-F275 HydrophobicContact SD-CD1 4.2Å; R169-F275 HydrophobicContact CB-CE1 3.88Å; R169-F275 HydrophobicContact CB-CE2 4.42Å; R169-F275 HydrophobicContact CB-CZ 3.81Å; R169-F275 HydrophobicContact CG-CD1 4.47Å; R169-F275 HydrophobicContact CG-CD2 4.28Å; R169-F275 HydrophobicContact CG-CE1 4.09Å; R169-F275 HydrophobicContact CG-CE2 3.88Å; R169-F275 HydrophobicContact CG-CZ 3.78Å; L172-F275 HydrophobicContact CB-CZ 4.29Å; L172-F275 HydrophobicContact CD1-CZ 3.79Å; A175-F275 HydrophobicContact CB-CE2 3.82Å; A175-F275 HydrophobicContact CB-CZ 4.5Å; E176-F275 VanDerWaalsContact OE1-CD2 3.26Å; E176-F275 WeakPolarHBondContact OE1-CD2 3.35Å; E176-F275 WeakPolarHBondContact OE1-CE2 3.31Å; M179-F275 HydrophobicContact CG-CD2 4.2Å; R271-F275 WeakPolarHBondContact O-CB 3.09Å; R271-F275 PolarHBondContact O-N 3.39Å; Q272-F275 PolarHBondContact O-N 3.07Å; N273-F275 VanDerWaalsContact C-N 3.33Å; N273-F275 PolarHBondContact O-N 2.95Å; F275-I277 PolarHBondContact O-N 2.88Å; F275-T279 HydrophobicContact CD1-CG2 4.43Å; F275-T279 HydrophobicContact CD2-CG2 4.2Å; F275-T279 HydrophobicContact CE1-CG2 4.23Å; F275-T279 HydrophobicContact CE2-CG2 3.99Å; F275-T279 HydrophobicContact CG-CG2 4.4Å; F275-T279 HydrophobicContact CZ-CG2 4Å; F275-T279 WeakPolarHBondContact O-CB 3.3Å; F275-T279 VanDerWaalsContact O-CG2 3.25Å; F275-T279 WeakPolarHBondContact O-CG2 3.42Å; F275-T279 PolarHBondContact O-N 3.18Å; F275-T279 PolarHBondContact O-OG1 2.98Å
276L96.6Very high95.8Very high47 Ų4730.8 Ų30.825%0.24616%0.163CC..Hα-helixtrans-62.7-42.6-177.2-70.8173.5000112.3V164 M166 Q272 N273 T279 N280V164-L276 WeakPolarHBondContact O-CD2 3.47Å; M166-L276 HydrophobicContact CG-CD1 4.06Å; M166-L276 HydrophobicContact CG-CD2 4.19Å; M166-L276 HydrophobicContact CG-CG 4.32Å; M166-L276 HydrophobicContact SD-CD1 4Å; M166-L276 HydrophobicContact SD-CD2 3.93Å; M166-L276 HydrophobicContact SD-CG 3.77Å; Q272-L276 WeakPolarHBondContact O-CB 3.33Å; Q272-L276 WeakPolarHBondContact O-CG 3.23Å; Q272-L276 PolarHBondContact O-N 2.65Å; N273-L276 PolarHBondContact O-N 2.79Å; L276-T279 PolarHBondContact O-OG1 3.41Å; L276-N280 VanDerWaalsContact O-CB 3.29Å; L276-N280 WeakPolarHBondContact O-CB 3.49Å; L276-N280 PolarHBondContact O-N 3.1Å; L276-N280 PolarHBondContact O-ND2 3.32Å
277I94.9Very high96Very high32 Ų3229.6 Ų29.616%0.16415%0.15CC..Hα-helixtrans-66.2-50.6-178.6-71.3167.1000110.1M1 F5 N273 F275 L281M1-I277 HydrophobicContact SD-CG2 4.45Å; F5-I277 HydrophobicContact CD1-CD1 4.04Å; F5-I277 HydrophobicContact CD2-CD1 4.24Å; F5-I277 HydrophobicContact CE1-CD1 3.47Å; F5-I277 VanDerWaalsContact CE1-CD1 3.47Å; F5-I277 HydrophobicContact CE2-CD1 3.69Å; F5-I277 HydrophobicContact CE2-CG2 4.37Å; F5-I277 HydrophobicContact CG-CD1 4.41Å; F5-I277 HydrophobicContact CZ-CB 4.46Å; F5-I277 HydrophobicContact CZ-CD1 3.26Å; F5-I277 HydrophobicContact CZ-CG1 4.43Å; F5-I277 HydrophobicContact CZ-CG2 4.34Å; N273-I277 WeakPolarHBondContact O-CB 3.49Å; N273-I277 WeakPolarHBondContact O-CD1 3.25Å; N273-I277 VanDerWaalsContact O-CG1 3.26Å; N273-I277 WeakPolarHBondContact O-CG1 3.33Å; N273-I277 PolarHBondContact O-N 3.46Å; F275-I277 PolarHBondContact O-N 2.88Å; I277-L281 HydrophobicContact CG2-CD1 3.74Å; I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 WeakPolarHBondContact O-CD1 3.22Å; I277-L281 WeakPolarHBondContact O-CG 2.98Å; I277-L281 PolarHBondContact O-N 3.48Å
278I97Very high96Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-70.2-44.4-174.5-61.7-62.1000111.7A136 L137 L140 F178 M179 L274 N280 L281 V282A136-I278 HydrophobicContact CB-CD1 3.62Å; A136-I278 HydrophobicContact CB-CG1 3.93Å; L137-I278 HydrophobicContact CD2-CD1 3.96Å; L137-I278 HydrophobicContact CG-CD1 4.19Å; L140-I278 HydrophobicContact CD1-CG2 3.61Å; F178-I278 HydrophobicContact CE1-CG2 3.96Å; M179-I278 HydrophobicContact CE-CB 3.57Å; M179-I278 HydrophobicContact CE-CG1 4.31Å; M179-I278 HydrophobicContact CE-CG2 3.58Å; M179-I278 HydrophobicContact SD-CB 4.38Å; L274-I278 HydrophobicContact CD1-CD1 4.46Å; L274-I278 HydrophobicContact CD1-CG1 3.86Å; L274-I278 HydrophobicContact CG-CG1 4.33Å; L274-I278 WeakPolarHBondContact O-CB 3.31Å; L274-I278 VanDerWaalsContact O-CG1 3.25Å; L274-I278 WeakPolarHBondContact O-CG1 3.45Å; L274-I278 PolarHBondContact O-N 2.97Å; I278-N280 PolarHBondContact O-N 3.26Å; I278-L281 PolarHBondContact O-N 3.38Å; I278-V282 HydrophobicContact CG2-CG2 4.28Å; I278-V282 WeakPolarHBondContact O-CG2 3.38Å; I278-V282 PolarHBondContact O-N 3.03Å
279T97.8Very high96.1Very high0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-62.8-43179.654.30000111.8I154 A175 M179 F275 L276 V282 K283I154-T279 HydrophobicContact CD1-CG2 4.09Å; A175-T279 HydrophobicContact CB-CG2 4.11Å; M179-T279 HydrophobicContact CE-CG2 4.36Å; F275-T279 HydrophobicContact CD1-CG2 4.43Å; F275-T279 HydrophobicContact CD2-CG2 4.2Å; F275-T279 HydrophobicContact CE1-CG2 4.23Å; F275-T279 HydrophobicContact CE2-CG2 3.99Å; F275-T279 HydrophobicContact CG-CG2 4.4Å; F275-T279 HydrophobicContact CZ-CG2 4Å; F275-T279 WeakPolarHBondContact O-CB 3.3Å; F275-T279 VanDerWaalsContact O-CG2 3.25Å; F275-T279 WeakPolarHBondContact O-CG2 3.42Å; F275-T279 PolarHBondContact O-N 3.18Å; F275-T279 PolarHBondContact O-OG1 2.98Å; L276-T279 PolarHBondContact O-OG1 3.41Å; T279-V282 PolarHBondContact O-N 2.81Å; T279-K283 WeakPolarHBondContact O-CB 3.5Å; T279-K283 PolarHBondContact O-N 3.35Å
280N96.7Very high96.1Very high28 Ų2827.8 Ų27.815%0.1514%0.137CC..Hα-helixtrans-67.4-37.4175.7-76.6-67.2000112.3F163 V164 L276 I278 K283 Y284F163-N280 WeakPolarHBondContact CA-OD1 3.48Å; F163-N280 WeakPolarHBondContact CB-OD1 3.48Å; F163-N280 WeakPolarHBondContact CD1-OD1 3.43Å; V164-N280 PolarHBondContact N-OD1 3.1Å; V164-N280 PolarHBondContact O-ND2 3Å; L276-N280 VanDerWaalsContact O-CB 3.29Å; L276-N280 WeakPolarHBondContact O-CB 3.49Å; L276-N280 PolarHBondContact O-N 3.1Å; L276-N280 PolarHBondContact O-ND2 3.32Å; I278-N280 PolarHBondContact O-N 3.26Å; N280-K283 PolarHBondContact O-N 3.13Å; N280-Y284 VanDerWaalsContact O-CD2 3.26Å; N280-Y284 WeakPolarHBondContact O-CD2 3.27Å; N280-Y284 PolarHBondContact O-N 3.49Å
281L96.1Very high96Very high30 Ų3032 Ų3216%0.15715%0.153CC..Hα-helixtrans-61.6-48.4174.3-74.6167.4000112M1 L137 I277 I278 K283 Y284 F285 I287 F317M1-L281 HydrophobicContact CE-CD1 3.35Å; M1-L281 HydrophobicContact CE-CD2 4.06Å; M1-L281 HydrophobicContact CE-CG 4.37Å; M1-L281 HydrophobicContact SD-CD1 3.66Å; L137-L281 HydrophobicContact CD2-CD1 4Å; I277-L281 HydrophobicContact CG2-CD1 3.74Å; I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 WeakPolarHBondContact O-CD1 3.22Å; I277-L281 WeakPolarHBondContact O-CG 2.98Å; I277-L281 PolarHBondContact O-N 3.48Å; I278-L281 PolarHBondContact O-N 3.38Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.14Å; L281-Y284 PolarHBondContact O-N 3.49Å; L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 WeakPolarHBondContact O-CB 3.44Å; L281-F285 PolarHBondContact O-N 3.41Å; L281-I287 HydrophobicContact CB-CD1 4.47Å; L281-F317 HydrophobicContact CD2-CE1 4.21Å
282V97.2Very high95.5Very high1 Ų138.9 Ų38.91%0.00619%0.187CC..Hα-helixtrans-65.8-30.2180171.40000112.1L140 Q147 L150 R151 I154 I278 T279 I287L140-V282 HydrophobicContact CD1-CG2 3.65Å; L140-V282 HydrophobicContact CD2-CG2 4.07Å; L140-V282 HydrophobicContact CG-CG2 4.47Å; Q147-V282 HydrophobicContact CG-CG1 4.36Å; Q147-V282 HydrophobicContact CG-CG2 4.45Å; L150-V282 HydrophobicContact CB-CG1 4.31Å; L150-V282 HydrophobicContact CD2-CB 4.41Å; L150-V282 HydrophobicContact CD2-CG1 4.21Å; L150-V282 HydrophobicContact CD2-CG2 4.05Å; L150-V282 HydrophobicContact CG-CG1 4.05Å; R151-V282 HydrophobicContact CB-CG1 3.7Å; R151-V282 VanDerWaalsContact CD-O 3.29Å; R151-V282 WeakPolarHBondContact CD-O 3.33Å; R151-V282 HydrophobicContact CG-CG1 4.38Å; R151-V282 WeakPolarHBondContact CG-O 3.25Å; I154-V282 HydrophobicContact CD1-CB 4.49Å; I154-V282 HydrophobicContact CD1-CG1 4.38Å; I278-V282 HydrophobicContact CG2-CG2 4.28Å; I278-V282 WeakPolarHBondContact O-CG2 3.38Å; I278-V282 PolarHBondContact O-N 3.03Å; T279-V282 PolarHBondContact O-N 2.81Å; V282-I287 HydrophobicContact CG2-CD1 4.37Å
283K96.2Very high94.9Very high4 Ų441.1 Ų41.12%0.01721%0.206CC..Hα-helixtrans-61.5-47.2175.3-175.9168.1179.2-91.70112.1R151 I154 M155 G159 C160 Q162 V164 T279 N280 L281R151-K283 PolarHBondContact NE-O 3.47Å; R151-K283 VanDerWaalsContact NE-O 3.14Å; I154-K283 HydrophobicContact CG2-CB 4.07Å; I154-K283 HydrophobicContact CG2-CD 3.86Å; I154-K283 HydrophobicContact CG2-CG 4.07Å; M155-K283 HydrophobicContact SD-CG 4.2Å; G159-K283 WeakPolarHBondContact O-CE 3.33Å; C160-K283 PolarHBondContact O-NZ 3.19Å; Q162-K283 WeakPolarHBondContact O-CE 3.31Å; Q162-K283 PolarHBondContact O-NZ 3.14Å; V164-K283 HydrophobicContact CG2-CD 3.98Å; T279-K283 WeakPolarHBondContact O-CB 3.5Å; T279-K283 PolarHBondContact O-N 3.35Å; N280-K283 PolarHBondContact O-N 3.13Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.14Å
284Y95.5Very high94.5Very high49 Ų4941 Ų4119%0.19221%0.206CC..Hα-helixtrans-97.5-21.6-171.7-69-77.4000114.6F163 N280 L281 L320F163-Y284 AromaticContact CD1-CE2 3.53Å; F163-Y284 HydrophobicContact CD1-CE2 3.53Å; F163-Y284 HydrophobicContact CE1-CD2 4.26Å; F163-Y284 AromaticContact CE1-CE2 3.44Å; F163-Y284 HydrophobicContact CE1-CE2 3.44Å; F163-Y284 VanDerWaalsContact CE1-CE2 3.44Å; F163-Y284 AromaticContact CE1-CZ 3.79Å; F163-Y284 HydrophobicContact CZ-CE2 4.49Å; N280-Y284 VanDerWaalsContact O-CD2 3.26Å; N280-Y284 WeakPolarHBondContact O-CD2 3.27Å; N280-Y284 PolarHBondContact O-N 3.49Å; L281-Y284 PolarHBondContact O-N 3.49Å; Y284-L320 PolarHBondContact O-N 2.97Å
285F97Very high94Very high70 Ų7043.1 Ų43.131%0.30722%0.221SC..EExtended strand (participates in β ladder)trans-130.2143.5-173.3-56.6-81.4000112.4L281 F317 R318L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 WeakPolarHBondContact O-CB 3.44Å; L281-F285 PolarHBondContact O-N 3.41Å; F285-F317 HydrophobicContact CB-CB 4.24Å; F285-F317 HydrophobicContact CB-CD1 4.09Å; F285-F317 HydrophobicContact CD1-CB 3.96Å; F285-F317 HydrophobicContact CG-CB 4.19Å; F285-F317 HydrophobicContact CG-CD1 4.3Å; F285-R318 CarbonylContact C-O 3.56Å; F285-R318 VanDerWaalsContact CA-O 3.29Å; F285-R318 WeakPolarHBondContact CA-O 3.47Å
286E97.5Very high93.2Very high36 Ų3644 Ų4417%0.16823%0.225CC..EExtended strand (participates in β ladder)trans-88119157.9-174.9-179.1-160.500108.3Q288 R318 L320E286-Q288 HydrophobicContact CG-CG 4.09Å; E286-Q288 PolarHBondContact OE1-NE2 2.99Å; E286-Q288 PolarHBondContact OE2-NE2 2.88Å; E286-R318 HydrophobicContact CB-CB 4.32Å; E286-R318 PolarHBondContact N-O 2.85Å; E286-R318 PolarHBondContact O-N 3.18Å; E286-R318 WeakPolarHBondContact OE2-CD 3.22Å; E286-R318 IonicContact OE2-CZ 3.47Å; E286-R318 IonicContact OE2-NE 3.74Å; E286-R318 IonicContact OE2-NH1 2.75Å; E286-R318 PolarHBondContact OE2-NH1 2.95Å; E286-L320 HydrophobicContact CB-CD1 4.11Å; E286-L320 HydrophobicContact CB-CD2 4.02Å; E286-L320 HydrophobicContact CB-CG 4.15Å
287I97.3Very high92.4Very high2 Ų248.7 Ų48.71%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-94.2121.6-178.2-53.8172.3000108.3L137 L140 A141 Q147 L281 V282 L315 F317L137-I287 HydrophobicContact CD2-CD1 3.81Å; L140-I287 HydrophobicContact CB-CD1 4.47Å; L140-I287 HydrophobicContact CD1-CD1 4.1Å; A141-I287 HydrophobicContact CB-CG2 4.29Å; Q147-I287 PolarHBondContact NE2-O 3.46Å; L281-I287 HydrophobicContact CB-CD1 4.47Å; V282-I287 HydrophobicContact CG2-CD1 4.37Å; I287-L315 HydrophobicContact CG2-CB 4.44Å; I287-L315 HydrophobicContact CG2-CD1 3.79Å; I287-L315 HydrophobicContact CG2-CD2 4.36Å; I287-L315 HydrophobicContact CG2-CG 4.43Å; I287-F317 HydrophobicContact CD1-CE1 4.02Å; I287-F317 HydrophobicContact CG1-CD1 3.9Å; I287-F317 HydrophobicContact CG1-CE1 3.78Å; I287-F317 HydrophobicContact CG2-CE1 4.3Å; I287-F317 HydrophobicContact CG2-CZ 4.41Å
288Q96.6Very high91.8Very high66 Ų6650.1 Ų50.131%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-132.8158.4-177.5-61.4177.6-27.800109.8E286 L315 R316E286-Q288 HydrophobicContact CG-CG 4.09Å; E286-Q288 PolarHBondContact OE1-NE2 2.99Å; E286-Q288 PolarHBondContact OE2-NE2 2.88Å; Q288-L315 CarbonylContact O-C 3.5Å; Q288-L315 VanDerWaalsContact O-CA 3.25Å; Q288-L315 WeakPolarHBondContact O-CA 3.46Å; Q288-L315 WeakPolarHBondContact O-CD2 3.46Å; Q288-R316 PolarHBondContact N-O 3.4Å; Q288-R316 PolarHBondContact O-N 3.4Å
289F96.4Very high91.3Very high35 Ų3550.7 Ų50.715%0.15426%0.26CS..EExtended strand (participates in β ladder)trans-65.4139167.5-67.7-68000110.6L138 A141 K142 H291 D294 L315L138-F289 HydrophobicContact CD1-CE1 3.63Å; L138-F289 HydrophobicContact CD1-CZ 3.79Å; A141-F289 HydrophobicContact CB-CD1 4.23Å; A141-F289 HydrophobicContact CB-CD2 4.15Å; A141-F289 HydrophobicContact CB-CE1 4.03Å; A141-F289 HydrophobicContact CB-CE2 3.96Å; A141-F289 HydrophobicContact CB-CG 4.3Å; A141-F289 HydrophobicContact CB-CZ 3.89Å; K142-F289 HydrophobicContact CB-CE2 4.15Å; K142-F289 HydrophobicContact CB-CZ 4.09Å; F289-H291 WeakPolarHBondContact CB-O 3.46Å; F289-D294 HydrophobicContact CB-CB 4.27Å; F289-D294 HydrophobicContact CD1-CB 3.53Å; F289-D294 HydrophobicContact CE1-CB 4.19Å; F289-D294 WeakPolarHBondContact CE1-O 3.37Å; F289-D294 HydrophobicContact CG-CB 4.19Å; F289-L315 HydrophobicContact CD1-CD2 3.9Å; F289-L315 HydrophobicContact CE1-CD2 4.27Å
290A94.3Very high90.5Very high25 Ų2554.2 Ų54.221%0.20728%0.282CS..SBendtrans-72.8-36174.400000111.1E314A290-E314 HydrophobicContact CB-CB 3.66Å; A290-E314 PolarHBondContact N-O 2.82Å
291H91.8Very high89.7Confident104 Ų10457.3 Ų57.348%0.48130%0.296SS..SBendtrans-128.9146.5177.3-55.5-72.9000111.3F289 T293 D294 E314F289-H291 WeakPolarHBondContact CB-O 3.46Å; H291-T293 PolarHBondContact O-N 3.09Å; H291-D294 IonicContact CD2-OD2 3.69Å; H291-D294 IonicContact CG-OD2 3.99Å; H291-D294 PolarHBondContact N-OD2 3.28Å; H291-D294 WeakPolarHBondContact O-CB 3.4Å; H291-D294 PolarHBondContact O-N 2.95Å; H291-D294 VanDerWaalsContact O-N 3.08Å; H291-E314 IonicContact NE2-OE2 3.68Å
292E85.5Confident89.1Confident183 Ų18357.9 Ų57.986%0.85530%0.302SS*.G310 helixtrans-60-32.3177.7-66.9-178.3172.900112.4D294 S295E292-D294 PolarHBondContact O-N 3.28Å; E292-S295 WeakPolarHBondContact O-CB 3.33Å; E292-S295 PolarHBondContact O-N 3.49Å
293T82.9Confident88.5Confident123 Ų12360.2 Ų60.276%0.75532%0.316SS*.G310 helixtrans-63.9-20.5177.651.50000113.9H291 S295H291-T293 PolarHBondContact O-N 3.09Å; T293-S295 VanDerWaalsContact C-N 3.29Å
294D84.2Confident87.7Confident20 Ų2065.5 Ų65.511%0.10734%0.339CS..G310 helixtrans-75-21.9175.3-64.9-43.8000112.1F289 H291 E292 Y296 F313 E314F289-D294 HydrophobicContact CB-CB 4.27Å; F289-D294 HydrophobicContact CD1-CB 3.53Å; F289-D294 HydrophobicContact CE1-CB 4.19Å; F289-D294 WeakPolarHBondContact CE1-O 3.37Å; F289-D294 HydrophobicContact CG-CB 4.19Å; H291-D294 IonicContact CD2-OD2 3.69Å; H291-D294 IonicContact CG-OD2 3.99Å; H291-D294 PolarHBondContact N-OD2 3.28Å; H291-D294 WeakPolarHBondContact O-CB 3.4Å; H291-D294 PolarHBondContact O-N 2.95Å; H291-D294 VanDerWaalsContact O-N 3.08Å; E292-D294 PolarHBondContact O-N 3.28Å; D294-Y296 WeakPolarHBondContact O-CD1 3.39Å; D294-Y296 PolarHBondContact O-N 3.45Å; D294-Y296 VanDerWaalsContact O-N 3.12Å; D294-F313 HydrophobicContact CB-CB 4.02Å; D294-F313 WeakPolarHBondContact OD1-CA 3.29Å; D294-E314 PolarHBondContact OD1-N 2.97Å; D294-E314 PolarHBondContact OD2-N 3.37Å
295S84.7Confident86.7Confident51 Ų5165.4 Ų65.436%0.35734%0.342SS..  trans-83.479.4174.4-178.70000110.4E292 T293E292-S295 WeakPolarHBondContact O-CB 3.33Å; E292-S295 PolarHBondContact O-N 3.49Å; T293-S295 VanDerWaalsContact C-N 3.29Å
296Y82Confident85.8Confident19 Ų1964 Ų648%0.07534%0.336CS..  trans-87.8139.8175.453.4-89000112.8L138 K142 D294 D298 L299 P310 R311L138-Y296 HydrophobicContact CD1-CE1 4.28Å; L138-Y296 VanDerWaalsContact CD2-OH 3.24Å; L138-Y296 WeakPolarHBondContact CD2-OH 3.39Å; K142-Y296 PolarHBondContact NZ-O 3.06Å; D294-Y296 WeakPolarHBondContact O-CD1 3.39Å; D294-Y296 PolarHBondContact O-N 3.45Å; D294-Y296 VanDerWaalsContact O-N 3.12Å; Y296-D298 WeakPolarHBondContact CD2-O 3.34Å; Y296-L299 HydrophobicContact CD2-CD2 4.08Å; Y296-L299 HydrophobicContact CE2-CD2 3.67Å; Y296-P310 WeakPolarHBondContact OH-CB 3.23Å; Y296-R311 HydrophobicContact CE1-CB 4.25Å; Y296-R311 PolarHBondContact OH-N 3.29Å
297D78.5Confident85.3Confident145 Ų14562.7 Ų62.778%0.77533%0.33SS*.SBendtrans-69.9-46.3-178-68.7-32000112.3L299D297-L299 PolarHBondContact O-N 3.32Å; D297-L299 VanDerWaalsContact O-N 3.08Å
298D83.8Confident85Confident62 Ų6262.8 Ų62.833%0.33233%0.33SS..  trans-81.989.2-176-175.34.2000112.2Y296 T300 Q301Y296-D298 WeakPolarHBondContact CD2-O 3.34Å; D298-T300 VanDerWaalsContact CG-OG1 3.31Å; D298-T300 PolarHBondContact O-N 2.93Å; D298-T300 WeakPolarHBondContact OD1-CA 3.47Å; D298-T300 WeakPolarHBondContact OD1-CB 3.41Å; D298-T300 WeakPolarHBondContact OD1-CG2 3.37Å; D298-T300 PolarHBondContact OD1-N 3.26Å; D298-T300 PolarHBondContact OD1-OG1 3.49Å; D298-T300 PolarHBondContact OD2-OG1 3.23Å; D298-Q301 HydrophobicContact CB-CG 4.32Å; D298-Q301 WeakPolarHBondContact O-CB 3.33Å; D298-Q301 PolarHBondContact O-N 2.88Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.26Å; D298-Q301 PolarHBondContact OD2-NE2 2.85Å
299L86.5Confident84.7Confident11 Ų1160.4 Ų60.46%0.05832%0.321CS..THydrogen-bonded Turntrans-69.3-3.5173.8-64.3-177.9000113.7W135 L138 L139 K142 F185 Y296 D297 Q301 R308W135-L299 WeakPolarHBondContact CH2-O 3.4Å; W135-L299 HydrophobicContact CZ3-CB 4.45Å; L138-L299 HydrophobicContact CD2-CD2 3.9Å; L138-L299 HydrophobicContact CG-CD2 4.47Å; L139-L299 HydrophobicContact CD2-CD1 3.9Å; K142-L299 HydrophobicContact CD-CD1 3.79Å; K142-L299 HydrophobicContact CD-CD2 3.92Å; K142-L299 HydrophobicContact CD-CG 4.09Å; F185-L299 HydrophobicContact CE1-CB 4.06Å; F185-L299 HydrophobicContact CE1-CD1 3.71Å; F185-L299 HydrophobicContact CZ-CB 4.03Å; F185-L299 HydrophobicContact CZ-CD1 3.67Å; Y296-L299 HydrophobicContact CD2-CD2 4.08Å; Y296-L299 HydrophobicContact CE2-CD2 3.67Å; D297-L299 PolarHBondContact O-N 3.32Å; D297-L299 VanDerWaalsContact O-N 3.08Å; L299-Q301 VanDerWaalsContact C-N 3.34Å; L299-R308 PolarHBondContact O-NH2 3.46Å
300T79.5Confident84.5Confident75 Ų7559 Ų5946%0.4632%0.316SS..THydrogen-bonded Turntrans-77.9-24.7171.278.80000111.4D298 C302D298-T300 VanDerWaalsContact CG-OG1 3.31Å; D298-T300 PolarHBondContact O-N 2.93Å; D298-T300 WeakPolarHBondContact OD1-CA 3.47Å; D298-T300 WeakPolarHBondContact OD1-CB 3.41Å; D298-T300 WeakPolarHBondContact OD1-CG2 3.37Å; D298-T300 PolarHBondContact OD1-N 3.26Å; D298-T300 PolarHBondContact OD1-OG1 3.49Å; D298-T300 PolarHBondContact OD2-OG1 3.23Å; T300-C302 PolarHBondContact O-N 2.89Å; T300-C302 PolarHBondContact O-SG 2.71Å
301Q79.9Confident84.3Confident93 Ų9362.1 Ų62.144%0.43532%0.322SS..  trans-67.995.9169.9-70175.432.800109.8D298 L299D298-Q301 HydrophobicContact CB-CG 4.32Å; D298-Q301 WeakPolarHBondContact O-CB 3.33Å; D298-Q301 PolarHBondContact O-N 2.88Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.26Å; D298-Q301 PolarHBondContact OD2-NE2 2.85Å; L299-Q301 VanDerWaalsContact C-N 3.34Å
302C84.7Confident84.1Confident41 Ų4162.9 Ų62.928%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-126.5159.518057.60000109.6W135 T300 R308 S309W135-C302 HydrophobicContact CH2-CB 4.47Å; W135-C302 HydrophobicContact CZ2-CB 4.09Å; T300-C302 PolarHBondContact O-N 2.89Å; T300-C302 PolarHBondContact O-SG 2.71Å; C302-R308 HydrophobicContact CB-CG 3.88Å; C302-R308 PolarHBondContact SG-NE 2.59Å; C302-R308 VanDerWaalsContact SG-NE 3.4Å; C302-S309 CarbonylContact C-O 3.59Å; C302-S309 WeakPolarHBondContact CA-O 3.32Å; C302-S309 VanDerWaalsContact CB-O 3.26Å; C302-S309 WeakPolarHBondContact CB-O 3.38Å
303V84Confident84.4Confident51 Ų5156 Ų5631%0.30930%0.304SS..EExtended strand (participates in β ladder)trans-89.6115.8169.7-177.40000106.8S309 R311V303-S309 PolarHBondContact N-O 3.3Å; V303-S309 PolarHBondContact O-N 2.92Å; V303-R311 HydrophobicContact CG2-CG 4.47Å
304F79.2Confident85Confident115 Ų11555.8 Ų55.850%0.50429%0.294SS..EExtended strand (participates in β ladder)trans-96.6104176.3-166.8-90000109.9P190 R308P190-F304 HydrophobicContact CB-CE2 4.42Å; P190-F304 HydrophobicContact CG-CD2 4.49Å; P190-F304 HydrophobicContact CG-CE2 3.8Å; F304-R308 HydrophobicContact CD2-CB 4.35Å
305N74.4Confident85.5Confident47 Ų4756.5 Ų56.525%0.25130%0.298SS..SBendtrans-117.2-134.4178.1-77.8-4.7000108.1D37 T307D37-N305 HydrophobicContact CB-CB 3.98Å; D37-N305 VanDerWaalsContact CG-CB 3.4Å; D37-N305 VanDerWaalsContact CG-CG 3.46Å; D37-N305 WeakPolarHBondContact OD1-CB 3.39Å; D37-N305 WeakPolarHBondContact OD2-CB 3.47Å; D37-N305 PolarHBondContact OD2-ND2 3.43Å; N305-T307 PolarHBondContact N-O 3.01Å; N305-T307 VanDerWaalsContact N-O 3.17Å; N305-T307 PolarHBondContact O-N 2.82Å
306F77.3Confident86Confident41 Ų4161.1 Ų61.118%0.1831%0.307CS..SBendtrans-58.2-37.1163.6176.7-119.8000112.1F40 F127 T128 L189F40-F306 AromaticContact CD1-CD2 3.63Å; F40-F306 HydrophobicContact CD1-CD2 3.63Å; F40-F306 HydrophobicContact CD1-CE2 4.13Å; F40-F306 HydrophobicContact CD2-CB 3.68Å; F40-F306 AromaticContact CD2-CD2 3.61Å; F40-F306 HydrophobicContact CD2-CD2 3.61Å; F40-F306 AromaticContact CD2-CG 3.99Å; F40-F306 HydrophobicContact CD2-CG 3.99Å; F40-F306 AromaticContact CE1-CD2 3.31Å; F40-F306 HydrophobicContact CE1-CD2 3.31Å; F40-F306 AromaticContact CE1-CE2 3.44Å; F40-F306 HydrophobicContact CE1-CE2 3.44Å; F40-F306 VanDerWaalsContact CE1-CE2 3.44Å; F40-F306 HydrophobicContact CE1-CG 4.47Å; F40-F306 HydrophobicContact CE2-CB 3.82Å; F40-F306 AromaticContact CE2-CD2 3.29Å; F40-F306 HydrophobicContact CE2-CD2 3.29Å; F40-F306 AromaticContact CE2-CE2 3.99Å; F40-F306 HydrophobicContact CE2-CE2 3.99Å; F40-F306 AromaticContact CE2-CG 3.7Å; F40-F306 HydrophobicContact CE2-CG 3.7Å; F40-F306 HydrophobicContact CG-CB 4.29Å; F40-F306 AromaticContact CG-CD2 3.77Å; F40-F306 HydrophobicContact CG-CD2 3.77Å; F40-F306 HydrophobicContact CG-CG 4.49Å; F40-F306 AromaticContact CZ-CD2 3.13Å; F40-F306 HydrophobicContact CZ-CD2 3.13Å; F40-F306 AromaticContact CZ-CE2 3.36Å; F40-F306 HydrophobicContact CZ-CE2 3.36Å; F40-F306 AromaticContact CZ-CG 3.96Å; F40-F306 HydrophobicContact CZ-CG 3.96Å; F40-F306 HydrophobicContact CZ-CZ 4.35Å; F127-F306 HydrophobicContact CB-CD1 3.9Å; F127-F306 HydrophobicContact CB-CE1 4.3Å; F127-F306 HydrophobicContact CD2-CD1 4.47Å; F127-F306 HydrophobicContact CG-CD1 4.42Å; T128-F306 HydrophobicContact CG2-CE1 4.17Å; L189-F306 WeakPolarHBondContact CD2-O 3.36Å
307T88.1Confident86.7Confident8 Ų863.8 Ų63.85%0.04932%0.319CS..SBendtrans-122155.7176.257.40000110.8T128 A131 V188 L189 N305 S309T128-T307 HydrophobicContact CG2-CG2 4.13Å; A131-T307 HydrophobicContact CB-CG2 4.41Å; V188-T307 CarbonylContact O-C 3.44Å; V188-T307 WeakPolarHBondContact O-CA 3.43Å; V188-T307 WeakPolarHBondContact O-CB 3.37Å; L189-T307 HydrophobicContact CD2-CG2 4.07Å; N305-T307 PolarHBondContact N-O 3.01Å; N305-T307 VanDerWaalsContact N-O 3.17Å; N305-T307 PolarHBondContact O-N 2.82Å; T307-S309 PolarHBondContact O-N 3.05Å; T307-S309 PolarHBondContact OG1-OG 3.32Å
308R91.1Very high87.5Confident3 Ų363.6 Ų63.61%0.01131%0.308CS..EExtended strand (participates in β ladder)trans-70.9103.9163.3176.1172.6176.7-115.34.1108.7W135 F185 A186 V188 P190 W219 L299 C302 F304W135-R308 HydrophobicContact CZ2-CG 4.05Å; W135-R308 PolarHBondContact NE1-O 2.82Å; F185-R308 PolarHBondContact O-NH1 2.99Å; A186-R308 VanDerWaalsContact C-NH1 3.28Å; A186-R308 WeakPolarHBondContact O-CD 3.33Å; A186-R308 PolarHBondContact O-NH1 3.19Å; V188-R308 PolarHBondContact O-N 3.29Å; P190-R308 HydrophobicContact CG-CB 4.07Å; W219-R308 VanDerWaalsContact CZ3-CZ 3.4Å; W219-R308 VanDerWaalsContact CZ3-NH1 3.3Å; L299-R308 PolarHBondContact O-NH2 3.46Å; C302-R308 HydrophobicContact CB-CG 3.88Å; C302-R308 PolarHBondContact SG-NE 2.59Å; C302-R308 VanDerWaalsContact SG-NE 3.4Å; F304-R308 HydrophobicContact CD2-CB 4.35Å
309S89.9Confident88Confident17 Ų1763.7 Ų63.712%0.11931%0.313CS..EExtended strand (participates in β ladder)trans-108.5148.8175.5-76.60000111C302 V303 T307C302-S309 CarbonylContact C-O 3.59Å; C302-S309 WeakPolarHBondContact CA-O 3.32Å; C302-S309 VanDerWaalsContact CB-O 3.26Å; C302-S309 WeakPolarHBondContact CB-O 3.38Å; V303-S309 PolarHBondContact N-O 3.3Å; V303-S309 PolarHBondContact O-N 2.92Å; T307-S309 PolarHBondContact O-N 3.05Å; T307-S309 PolarHBondContact OG1-OG 3.32Å
310P92Very high88.3Confident6 Ų666.2 Ų66.24%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-62.5158.7170.827.9-33.4000110.8K134 W135 L138 Y296 F313K134-P310 HydrophobicContact CB-CG 3.63Å; K134-P310 HydrophobicContact CD-CG 4.42Å; W135-P310 HydrophobicContact CD2-CB 4.41Å; W135-P310 HydrophobicContact CD2-CG 4.44Å; W135-P310 HydrophobicContact CH2-CB 4.38Å; W135-P310 HydrophobicContact CZ2-CB 4.32Å; W135-P310 HydrophobicContact CZ3-CB 4.49Å; L138-P310 HydrophobicContact CD2-CB 3.59Å; L138-P310 HydrophobicContact CD2-CG 4.43Å; Y296-P310 WeakPolarHBondContact OH-CB 3.23Å; P310-F313 HydrophobicContact CB-CD1 4.28Å; P310-F313 HydrophobicContact CB-CE1 3.92Å; P310-F313 HydrophobicContact CG-CD1 4.36Å; P310-F313 HydrophobicContact CG-CE1 3.58Å
311R90Very high88.1Confident90 Ų9069.2 Ų69.234%0.3435%0.351SS..PPolyproline II helixtrans-58.7153.9169.1-68.7-169.6-61.6149.2-0.1110.4Y296 V303 F313Y296-R311 HydrophobicContact CE1-CB 4.25Å; Y296-R311 PolarHBondContact OH-N 3.29Å; V303-R311 HydrophobicContact CG2-CG 4.47Å; R311-F313 WeakPolarHBondContact O-CD1 3.35Å; R311-F313 PolarHBondContact O-N 3.2Å
312P88.9Confident88.5Confident119 Ų11968.1 Ų68.177%0.77335%0.347SS*.PPolyproline II helixtrans-50.3136.1172.6-2635000111.2
313F91.6Very high88.7Confident39 Ų3969.5 Ų69.517%0.17135%0.35CS..  trans-148154.417759.1-103000108.6K134 L138 D294 P310 R311 L315K134-F313 HydrophobicContact CB-CE1 4.5Å; K134-F313 HydrophobicContact CB-CZ 4.33Å; K134-F313 WeakPolarHBondContact O-CZ 3.48Å; L138-F313 HydrophobicContact CB-CD1 4.44Å; L138-F313 HydrophobicContact CB-CE1 3.84Å; L138-F313 HydrophobicContact CB-CZ 4.01Å; L138-F313 HydrophobicContact CD1-CD1 3.99Å; L138-F313 HydrophobicContact CD1-CE1 4.25Å; L138-F313 HydrophobicContact CD1-CG 4.36Å; L138-F313 HydrophobicContact CD2-CE1 4.47Å; L138-F313 HydrophobicContact CG-CE1 4.42Å; D294-F313 HydrophobicContact CB-CB 4.02Å; D294-F313 WeakPolarHBondContact OD1-CA 3.29Å; P310-F313 HydrophobicContact CB-CD1 4.28Å; P310-F313 HydrophobicContact CB-CE1 3.92Å; P310-F313 HydrophobicContact CG-CD1 4.36Å; P310-F313 HydrophobicContact CG-CE1 3.58Å; R311-F313 WeakPolarHBondContact O-CD1 3.35Å; R311-F313 PolarHBondContact O-N 3.2Å; F313-L315 HydrophobicContact CD2-CD1 4.14Å; F313-L315 HydrophobicContact CD2-CD2 3.89Å; F313-L315 HydrophobicContact CD2-CG 3.66Å; F313-L315 HydrophobicContact CE2-CD1 3.54Å; F313-L315 HydrophobicContact CE2-CD2 4.1Å; F313-L315 HydrophobicContact CE2-CG 3.61Å
314E94Very high88.9Confident119 Ų11970.5 Ų70.556%0.55635%0.352SS*.  trans-110.8140.9172.3-65.6-168-179.600111.3A290 H291 D294A290-E314 HydrophobicContact CB-CB 3.66Å; A290-E314 PolarHBondContact N-O 2.82Å; H291-E314 IonicContact NE2-OE2 3.68Å; D294-E314 PolarHBondContact OD1-N 2.97Å; D294-E314 PolarHBondContact OD2-N 3.37Å
315L95.2Very high89.5Confident34 Ų3467.9 Ų67.918%0.17834%0.344CS..EExtended strand (participates in β ladder)trans-121.7141.9-179.4-62.4178.4000110.8L137 A141 I287 Q288 F289 F313 F317L137-L315 HydrophobicContact CB-CD1 3.66Å; A141-L315 HydrophobicContact CB-CD2 3.65Å; I287-L315 HydrophobicContact CG2-CB 4.44Å; I287-L315 HydrophobicContact CG2-CD1 3.79Å; I287-L315 HydrophobicContact CG2-CD2 4.36Å; I287-L315 HydrophobicContact CG2-CG 4.43Å; Q288-L315 CarbonylContact O-C 3.5Å; Q288-L315 VanDerWaalsContact O-CA 3.25Å; Q288-L315 WeakPolarHBondContact O-CA 3.46Å; Q288-L315 WeakPolarHBondContact O-CD2 3.46Å; F289-L315 HydrophobicContact CD1-CD2 3.9Å; F289-L315 HydrophobicContact CE1-CD2 4.27Å; F313-L315 HydrophobicContact CD2-CD1 4.14Å; F313-L315 HydrophobicContact CD2-CD2 3.89Å; F313-L315 HydrophobicContact CD2-CG 3.66Å; F313-L315 HydrophobicContact CE2-CD1 3.54Å; F313-L315 HydrophobicContact CE2-CD2 4.1Å; F313-L315 HydrophobicContact CE2-CG 3.61Å; L315-F317 HydrophobicContact CB-CD2 4.43Å; L315-F317 HydrophobicContact CB-CE2 3.8Å; L315-F317 HydrophobicContact CB-CZ 4.37Å; L315-F317 HydrophobicContact CD1-CE2 4.48Å; L315-F317 HydrophobicContact CD1-CZ 4.28Å
316R95.2Very high90.4Very high149 Ų14969.2 Ų69.256%0.56235%0.349SS*.EExtended strand (participates in β ladder)trans-101130.4167.2-174.6-178.8-64174.23.1109.2Q288Q288-R316 PolarHBondContact N-O 3.4Å; Q288-R316 PolarHBondContact O-N 3.4Å
317F96.2Very high91.3Very high74 Ų7471.1 Ų71.133%0.32536%0.361SS..EExtended strand (participates in β ladder)trans-106.6106174.9-66.6-102.9000108.5M1 L137 L281 F285 I287 L315M1-F317 HydrophobicContact CE-CE1 3.76Å; M1-F317 HydrophobicContact CE-CE2 4.48Å; M1-F317 HydrophobicContact CE-CZ 3.49Å; M1-F317 VanDerWaalsContact CE-CZ 3.49Å; L137-F317 HydrophobicContact CD2-CE1 4.43Å; L137-F317 HydrophobicContact CD2-CZ 4.41Å; L281-F317 HydrophobicContact CD2-CE1 4.21Å; F285-F317 HydrophobicContact CB-CB 4.24Å; F285-F317 HydrophobicContact CB-CD1 4.09Å; F285-F317 HydrophobicContact CD1-CB 3.96Å; F285-F317 HydrophobicContact CG-CB 4.19Å; F285-F317 HydrophobicContact CG-CD1 4.3Å; I287-F317 HydrophobicContact CD1-CE1 4.02Å; I287-F317 HydrophobicContact CG1-CD1 3.9Å; I287-F317 HydrophobicContact CG1-CE1 3.78Å; I287-F317 HydrophobicContact CG2-CE1 4.3Å; I287-F317 HydrophobicContact CG2-CZ 4.41Å; L315-F317 HydrophobicContact CB-CD2 4.43Å; L315-F317 HydrophobicContact CB-CE2 3.8Å; L315-F317 HydrophobicContact CB-CZ 4.37Å; L315-F317 HydrophobicContact CD1-CE2 4.48Å; L315-F317 HydrophobicContact CD1-CZ 4.28Å
318R96.1Very high91.6Very high141 Ų14175.6 Ų75.653%0.53238%0.383SS..EExtended strand (participates in β ladder)trans-90.9122.3177.2171.3-175.8160.8-1623.2109.2F285 E286 L320F285-R318 CarbonylContact C-O 3.56Å; F285-R318 VanDerWaalsContact CA-O 3.29Å; F285-R318 WeakPolarHBondContact CA-O 3.47Å; E286-R318 HydrophobicContact CB-CB 4.32Å; E286-R318 PolarHBondContact N-O 2.85Å; E286-R318 PolarHBondContact O-N 3.18Å; E286-R318 WeakPolarHBondContact OE2-CD 3.22Å; E286-R318 IonicContact OE2-CZ 3.47Å; E286-R318 IonicContact OE2-NE 3.74Å; E286-R318 IonicContact OE2-NH1 2.75Å; E286-R318 PolarHBondContact OE2-NH1 2.95Å; R318-L320 PolarHBondContact O-N 3.43Å
319S95.1Very high91.6Very high64 Ų6481.2 Ų81.245%0.44841%0.411SS..EExtended strand (participates in β ladder)trans-59.9135.5175.3-168.50000110.8S321S319-S321 PolarHBondContact OG-N 2.87Å; S319-S321 PolarHBondContact OG-O 3.46Å; S319-S321 PolarHBondContact OG-OG 2.85Å
320L91.1Very high91.7Very high64 Ų6486.5 Ų86.534%0.33544%0.436SS..  trans-103.80.5172.9-65.3174.9000112.6Y284 E286 R318Y284-L320 PolarHBondContact O-N 2.97Å; E286-L320 HydrophobicContact CB-CD1 4.11Å; E286-L320 HydrophobicContact CB-CD2 4.02Å; E286-L320 HydrophobicContact CB-CG 4.15Å; R318-L320 PolarHBondContact O-N 3.43Å
321S75.4Confident91.7Very high139 Ų13993.8 Ų93.897%0.97247%0.472SS*.  trans-121.10175.7590000112.1S319S319-S321 PolarHBondContact OG-N 2.87Å; S319-S321 PolarHBondContact OG-O 3.46Å; S319-S321 PolarHBondContact OG-OG 2.85Å

Retrieved 321 of 321 residues in 295.9 ms (Link to these results)

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