A0A4W5KCF1_9TELE Loading...

YKT6 v-SNARE homolog

Vesicular soluble NSF attachment protein receptor (v-SNARE) mediating vesicle docking and fusion to a specific acceptor cellular compartment. Functions in endoplasmic reticulum to Golgi transport; as part of a SNARE complex composed of GOSR1, GOSR2 and STX5. Functions in early/recycling endosome to TGN transport; as part of a SNARE complex composed of BET1L, GOSR1 and STX5. Has a S-palmitoyl transferase activity.

AlphaFold DB , UniProt , Accession A0A4W5KCF1, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 198 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
1M86.5Confident96.5Very high110 Ų11019.2 Ų19.254%0.5429%0.089SC..  089.70-65.3-174.183.600111.8D82 E84 P86 P133M1-D82 VanDerWaalsContact C-OD2 3.29Å; M1-D82 VanDerWaalsContact CA-OD2 3.26Å; M1-D82 WeakPolarHBondContact CA-OD2 3.44Å; M1-D82 PolarHBondContact N-OD2 3.45Å; M1-E84 VanDerWaalsContact CE-O 3.28Å; M1-E84 WeakPolarHBondContact CE-O 3.44Å; M1-E84 HydrophobicContact CG-CB 3.56Å; M1-E84 PolarHBondContact N-OE2 3.29Å; M1-E84 VanDerWaalsContact N-OE2 3.11Å; M1-P86 VanDerWaalsContact CE-CD 3.45Å; M1-P86 HydrophobicContact CE-CG 3.71Å; M1-P133 HydrophobicContact CE-CG 4.27Å
2K93.1Very high96.2Very high31 Ų3119.4 Ų19.414%0.13510%0.101CC..  trans-143.6150179.9-170.7173.6176.2-175.40111.2Y4 D24 S26 S27 A81 D82K2-Y4 HydrophobicContact CB-CE1 4.42Å; K2-Y4 HydrophobicContact CD-CD1 4.32Å; K2-Y4 HydrophobicContact CD-CE1 3.92Å; K2-Y4 HydrophobicContact CG-CE1 4.3Å; K2-D24 WeakPolarHBondContact CE-OD1 3.39Å; K2-D24 WeakPolarHBondContact CE-OD2 3.28Å; K2-D24 PolarHBondContact NZ-O 3.4Å; K2-D24 IonicContact NZ-OD1 2.87Å; K2-D24 PolarHBondContact NZ-OD1 3.28Å; K2-D24 IonicContact NZ-OD2 3.54Å; K2-S26 PolarHBondContact NZ-OG 3.32Å; K2-S27 PolarHBondContact NZ-OG 3.1Å; K2-S27 VanDerWaalsContact NZ-OG 3.12Å; K2-A81 VanDerWaalsContact O-CA 3.29Å; K2-A81 WeakPolarHBondContact O-CA 3.45Å; K2-D82 PolarHBondContact N-OD2 2.89Å; K2-D82 PolarHBondContact O-N 3.11Å
3L96.7Very high95.7Very high0 Ų026.3 Ų26.30%016%0.162CC..EExtended strand (participates in β ladder)trans-95.6132.6164.4-59.6-178.5000109.6V79 A81 Y85 L93 L127 Q131L3-V79 HydrophobicContact CD1-CG2 4.38Å; L3-V79 HydrophobicContact CD2-CG2 3.73Å; L3-V79 HydrophobicContact CG-CG2 4.48Å; L3-A81 HydrophobicContact CD2-CB 3.53Å; L3-Y85 HydrophobicContact CD1-CE2 4.12Å; L3-Y85 HydrophobicContact CD2-CD1 3.79Å; L3-Y85 HydrophobicContact CD2-CD2 3.67Å; L3-Y85 HydrophobicContact CD2-CE1 3.7Å; L3-Y85 HydrophobicContact CD2-CE2 3.56Å; L3-Y85 HydrophobicContact CD2-CG 3.79Å; L3-Y85 HydrophobicContact CG-CD2 4.04Å; L3-Y85 HydrophobicContact CG-CE1 4.41Å; L3-Y85 HydrophobicContact CG-CE2 3.57Å; L3-L93 HydrophobicContact CD1-CD2 3.76Å; L3-L127 HydrophobicContact CB-CD1 3.54Å; L3-L127 HydrophobicContact CD1-CD1 4.11Å; L3-L127 HydrophobicContact CG-CD1 4.49Å; L3-Q131 PolarHBondContact O-NE2 3.39Å
4Y97.8Very high94.9Very high19 Ų1933.3 Ų33.38%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-103.3-40-177.3-62.7-68.9000113.4K2 Y23 D24 F28 M40 Y64 I80 D82K2-Y4 HydrophobicContact CB-CE1 4.42Å; K2-Y4 HydrophobicContact CD-CD1 4.32Å; K2-Y4 HydrophobicContact CD-CE1 3.92Å; K2-Y4 HydrophobicContact CG-CE1 4.3Å; Y4-Y23 CarbonylContact O-C 3.59Å; Y4-Y23 WeakPolarHBondContact O-CA 3.37Å; Y4-D24 PolarHBondContact O-N 3.47Å; Y4-F28 AromaticContact CD1-CE2 3.53Å; Y4-F28 HydrophobicContact CD1-CE2 3.53Å; Y4-F28 AromaticContact CD1-CZ 4Å; Y4-F28 HydrophobicContact CD1-CZ 4Å; Y4-F28 AromaticContact CE1-CE2 3.72Å; Y4-F28 HydrophobicContact CE1-CE2 3.72Å; Y4-F28 AromaticContact CE1-CZ 3.91Å; Y4-F28 HydrophobicContact CE1-CZ 3.91Å; Y4-F28 HydrophobicContact CG-CE2 4.37Å; Y4-M40 HydrophobicContact CD1-CE 4.36Å; Y4-M40 HydrophobicContact CG-CE 3.89Å; Y4-Y64 AromaticContact CD2-CD1 3.88Å; Y4-Y64 HydrophobicContact CD2-CD1 3.88Å; Y4-Y64 HydrophobicContact CD2-CE1 4.02Å; Y4-Y64 AromaticContact CE2-CD1 3.53Å; Y4-Y64 HydrophobicContact CE2-CD1 3.53Å; Y4-Y64 AromaticContact CE2-CE1 3.47Å; Y4-Y64 HydrophobicContact CE2-CE1 3.47Å; Y4-Y64 VanDerWaalsContact CE2-CE1 3.47Å; Y4-Y64 AromaticContact CZ-CE1 3.79Å; Y4-I80 HydrophobicContact CD2-CG2 4.44Å; Y4-I80 PolarHBondContact N-O 2.88Å; Y4-D82 WeakPolarHBondContact CE2-OD1 3.39Å; Y4-D82 VanDerWaalsContact CZ-OD1 3.23Å; Y4-D82 PolarHBondContact OH-OD1 3.3Å
5S98.1Very high94.6Very high0 Ų039 Ų390%023%0.226CC..EExtended strand (participates in β ladder)trans-145.4148.6177.869.30000111.1A22 V79 I80S5-A22 WeakPolarHBondContact CA-O 3.48Å; S5-V79 VanDerWaalsContact O-CA 3.31Å; S5-V79 WeakPolarHBondContact O-CA 3.42Å; S5-V79 WeakPolarHBondContact O-CG2 3.48Å; S5-I80 PolarHBondContact N-O 2.82Å; S5-I80 PolarHBondContact O-N 3.49Å; S5-I80 WeakPolarHBondContact OG-CB 3.44Å; S5-I80 WeakPolarHBondContact OG-CD1 3.23Å; S5-I80 VanDerWaalsContact OG-CG1 3.31Å; S5-I80 WeakPolarHBondContact OG-CG1 3.43Å
6L98.4Very high94.6Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-133.7124.3169.8175.166.4000107.6S21 A22 V78 V79 L93 L94 V97 L123 H126 L127L6-S21 CarbonylContact O-C 3.58Å; L6-S21 WeakPolarHBondContact O-CA 3.31Å; L6-A22 PolarHBondContact N-O 3.26Å; L6-A22 PolarHBondContact O-N 3.26Å; L6-V78 WeakPolarHBondContact CA-O 3.17Å; L6-V79 HydrophobicContact CD1-CB 4.11Å; L6-V79 HydrophobicContact CD1-CG2 4.47Å; L6-L93 HydrophobicContact CD1-CD2 4.2Å; L6-L93 HydrophobicContact CD1-CG 4.27Å; L6-L93 HydrophobicContact CD2-CD1 4.16Å; L6-L93 HydrophobicContact CD2-CD2 4.32Å; L6-L93 HydrophobicContact CD2-CG 4.43Å; L6-L94 HydrophobicContact CD1-CD2 4.03Å; L6-V97 HydrophobicContact CD2-CG2 3.99Å; L6-L123 HydrophobicContact CD2-CD1 3.56Å; L6-L123 HydrophobicContact CD2-CG 3.94Å; L6-L123 HydrophobicContact CG-CD1 3.69Å; L6-L123 HydrophobicContact CG-CG 4.05Å; L6-L123 WeakPolarHBondContact O-CD2 3.46Å; L6-H126 HydrophobicContact CD2-CB 4.18Å; L6-L127 HydrophobicContact CB-CB 4.39Å; L6-L127 HydrophobicContact CB-CD1 4.06Å; L6-L127 HydrophobicContact CD2-CB 4.35Å
7S98.3Very high94.5Very high1 Ų137.8 Ų37.81%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-135.3145.9-175.1560000111.4L9 K20 S44 A77 V78S7-L9 WeakPolarHBondContact OG-CD1 3.19Å; S7-K20 WeakPolarHBondContact CA-O 3.26Å; S7-S44 WeakPolarHBondContact OG-CB 3.23Å; S7-S44 PolarHBondContact OG-OG 3.43Å; S7-A77 CarbonylContact O-C 3.58Å; S7-A77 WeakPolarHBondContact O-CA 3.48Å; S7-A77 WeakPolarHBondContact O-CB 3.39Å; S7-V78 PolarHBondContact N-O 3.32Å; S7-V78 PolarHBondContact O-N 3.26Å; S7-V78 PolarHBondContact OG-O 2.67Å
8V98.4Very high94.7Very high0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-115.2126.3172.3-177.10000107.5L19 K20 L75 S76 V97 L98 F101 L123V8-L19 HydrophobicContact CG1-CD1 4.29Å; V8-L19 WeakPolarHBondContact O-CB 3.38Å; V8-L19 PolarHBondContact O-N 2.93Å; V8-K20 PolarHBondContact N-O 3.02Å; V8-K20 PolarHBondContact O-N 3.11Å; V8-L75 HydrophobicContact CG1-CD1 3.94Å; V8-S76 CarbonylContact C-O 3.59Å; V8-S76 WeakPolarHBondContact CA-O 3.25Å; V8-V97 HydrophobicContact CG2-CG1 3.6Å; V8-L98 HydrophobicContact CG1-CD2 4.46Å; V8-F101 HydrophobicContact CB-CD2 4.48Å; V8-F101 HydrophobicContact CG1-CD1 4.04Å; V8-F101 HydrophobicContact CG1-CD2 4.12Å; V8-F101 HydrophobicContact CG1-CE1 4.1Å; V8-F101 HydrophobicContact CG1-CE2 4.18Å; V8-F101 HydrophobicContact CG1-CG 4.06Å; V8-F101 HydrophobicContact CG1-CZ 4.17Å; V8-F101 HydrophobicContact CG2-CD2 4.39Å; V8-L123 HydrophobicContact CG2-CD1 3.95Å
9L98.4Very high94.8Very high2 Ų235.4 Ų35.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-129.8150.4-177.5-56.991.3000110.2S7 N17 L18 A45 V48 S76 V78S7-L9 WeakPolarHBondContact OG-CD1 3.19Å; L9-N17 CarbonylContact C-O 3.56Å; L9-N17 WeakPolarHBondContact CA-O 3.4Å; L9-L18 HydrophobicContact CD1-CD1 4.45Å; L9-L18 HydrophobicContact CD2-CD1 4.31Å; L9-L18 HydrophobicContact CG-CD1 3.97Å; L9-A45 HydrophobicContact CD2-CB 4.26Å; L9-V48 HydrophobicContact CB-CG2 4.43Å; L9-V48 HydrophobicContact CD1-CG2 4.19Å; L9-V48 HydrophobicContact CD2-CG2 4.48Å; L9-S76 PolarHBondContact N-O 2.8Å; L9-S76 WeakPolarHBondContact O-CA 3.12Å; L9-S76 PolarHBondContact O-N 3.05Å; L9-S76 VanDerWaalsContact O-O 3.07Å; L9-S76 PolarHBondContact O-OG 3.11Å; L9-V78 HydrophobicContact CD1-CG2 4.12Å
10H98Very high95Very high23 Ų2335.9 Ų35.911%0.10620%0.203CC..EExtended strand (participates in β ladder)trans-97.7124.5165.6174.5-101.3000109.5G12 S16 N17 L19 W110H10-G12 PolarHBondContact O-N 2.85Å; H10-S16 CarbonylContact O-C 3.56Å; H10-S16 WeakPolarHBondContact O-CA 3.18Å; H10-N17 HydrophobicContact CB-CB 4.39Å; H10-N17 PolarHBondContact N-O 3.48Å; H10-N17 PolarHBondContact O-N 2.87Å; H10-L19 HydrophobicContact CB-CD1 4.15Å; H10-L19 HydrophobicContact CB-CD2 4.25Å; H10-L19 HydrophobicContact CB-CG 4.28Å; H10-W110 HydrophobicContact CB-CB 4.06Å
11K97.4Very high95.1Very high25 Ų2535.4 Ų35.411%0.10920%0.202CC..EExtended strand (participates in β ladder)trans-83101.7176-175.4177.5169.1900109.9V48 E49 S51 H53 V70 S74K11-V48 HydrophobicContact CB-CG1 3.78Å; K11-V48 HydrophobicContact CD-CG1 4.37Å; K11-V48 WeakPolarHBondContact CD-O 3.33Å; K11-V48 HydrophobicContact CG-CG1 4.06Å; K11-V48 PolarHBondContact NZ-O 2.86Å; K11-E49 PolarHBondContact NZ-O 2.78Å; K11-S51 WeakPolarHBondContact CE-O 3.26Å; K11-S51 PolarHBondContact NZ-O 3.43Å; K11-H53 VanDerWaalsContact CD-CE1 3.42Å; K11-H53 WeakPolarHBondContact CD-CE1 3.28Å; K11-V70 HydrophobicContact CB-CG1 4.41Å; K11-V70 HydrophobicContact CD-CG1 3.73Å; K11-S74 PolarHBondContact N-O 3.47Å; K11-S74 VanDerWaalsContact O-CB 3.31Å; K11-S74 WeakPolarHBondContact O-CB 3.23Å; K11-S74 PolarHBondContact O-OG 2.93Å
12G93.4Very high95.6Very high22 Ų2230.2 Ų30.223%0.22718%0.176CC..  trans-75.8-177.3168.600000112.5H10 T14 K15H10-G12 PolarHBondContact O-N 2.85Å; G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.23Å; G12-K15 WeakPolarHBondContact CA-O 3.39Å; G12-K15 PolarHBondContact N-O 2.55Å
13A88.9Confident95.9Very high109 Ų10931 Ų3190%0.90118%0.179SC*.SBendtrans-65.1-35.5-17900000113.2
14T84.9Confident95.9Very high124 Ų12433 Ų3376%0.76119%0.189SC*.SBendtrans-130.1-28.1-175.854.30000113.7G12G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.23Å
15K91.1Very high95.8Very high119 Ų11932.8 Ų32.852%0.51719%0.19SC..  trans-125.4151.3179.3-71.1-167.2172.6-168.50110.4G12 E175G12-K15 WeakPolarHBondContact CA-O 3.39Å; G12-K15 PolarHBondContact N-O 2.55Å; K15-E175 IonicContact NZ-OE2 3.55Å; K15-E175 PolarHBondContact NZ-OE2 3.12Å
16S93.9Very high95.6Very high7 Ų736.3 Ų36.35%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-92.1144.6166.861.20000110.9H10 A45 E49H10-S16 CarbonylContact O-C 3.56Å; H10-S16 WeakPolarHBondContact O-CA 3.18Å; S16-A45 VanDerWaalsContact OG-CA 3.25Å; S16-A45 WeakPolarHBondContact OG-CA 3.46Å; S16-A45 VanDerWaalsContact OG-CB 3.26Å; S16-A45 WeakPolarHBondContact OG-CB 3.31Å; S16-A45 PolarHBondContact OG-O 3.39Å; S16-E49 PolarHBondContact N-OE1 2.82Å; S16-E49 PolarHBondContact OG-OE1 3.21Å
17N93.8Very high95.3Very high51 Ų5139.6 Ų39.627%0.27324%0.238SC..EExtended strand (participates in β ladder)trans-111.3120.3176.4-61.9-16.8000108.6L9 H10 L19 P111L9-N17 CarbonylContact C-O 3.56Å; L9-N17 WeakPolarHBondContact CA-O 3.4Å; H10-N17 HydrophobicContact CB-CB 4.39Å; H10-N17 PolarHBondContact N-O 3.48Å; H10-N17 PolarHBondContact O-N 2.87Å; N17-L19 PolarHBondContact O-N 2.84Å; N17-P111 PolarHBondContact ND2-O 3.47Å
18L96.9Very high95.1Very high29 Ų2941 Ų4115%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-71.8116.7175.3-178.867.5000109.7L9 T41 N114 P115L9-L18 HydrophobicContact CD1-CD1 4.45Å; L9-L18 HydrophobicContact CD2-CD1 4.31Å; L9-L18 HydrophobicContact CG-CD1 3.97Å; L18-T41 HydrophobicContact CD2-CG2 3.83Å; L18-N114 WeakPolarHBondContact O-CA 3.39Å; L18-P115 HydrophobicContact CD2-CG 3.84Å; L18-P115 HydrophobicContact CG-CG 4.03Å; L18-P115 WeakPolarHBondContact O-CD 3.34Å
19L97.5Very high94.8Very high0 Ų044.4 Ų44.40%027%0.267CS..EExtended strand (participates in β ladder)trans-89.6-46.9178.2-58.2-176.4000111.3V8 H10 N17 L75 F101 W110 N114 P115 I118V8-L19 HydrophobicContact CG1-CD1 4.29Å; V8-L19 WeakPolarHBondContact O-CB 3.38Å; V8-L19 PolarHBondContact O-N 2.93Å; H10-L19 HydrophobicContact CB-CD1 4.15Å; H10-L19 HydrophobicContact CB-CD2 4.25Å; H10-L19 HydrophobicContact CB-CG 4.28Å; N17-L19 PolarHBondContact O-N 2.84Å; L19-L75 HydrophobicContact CD1-CD1 3.89Å; L19-F101 HydrophobicContact CB-CE2 4.45Å; L19-F101 HydrophobicContact CB-CZ 3.9Å; L19-F101 HydrophobicContact CD1-CE1 3.63Å; L19-F101 HydrophobicContact CD1-CZ 3.6Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; L19-W110 HydrophobicContact CD1-CB 4.09Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; L19-W110 WeakPolarHBondContact CD2-O 3.34Å; L19-N114 CarbonylContact O-C 3.54Å; L19-P115 WeakPolarHBondContact O-CA 3.47Å; L19-I118 HydrophobicContact CB-CG1 4.22Å; L19-I118 HydrophobicContact CD2-CG1 4.31Å; L19-I118 WeakPolarHBondContact O-CB 3.46Å
20K97.8Very high94.5Very high46 Ų4651.5 Ų51.520%0.230%0.298CS..EExtended strand (participates in β ladder)trans-156152.9177-15171.7-178.9-174.80110.7S7 V8 P115 I118 Y120 L123S7-K20 WeakPolarHBondContact CA-O 3.26Å; V8-K20 PolarHBondContact N-O 3.02Å; V8-K20 PolarHBondContact O-N 3.11Å; K20-P115 PolarHBondContact NZ-O 3.28Å; K20-I118 PolarHBondContact NZ-O 3.18Å; K20-Y120 WeakPolarHBondContact CE-O 3.29Å; K20-L123 HydrophobicContact CB-CD2 4.05Å; K20-L123 HydrophobicContact CG-CD2 4.17Å
21S97.5Very high94Very high25 Ų2558.9 Ų58.918%0.17533%0.33CS..EExtended strand (participates in β ladder)trans-147.9151.4175.450.80000111.5L6 Y23 L123L6-S21 CarbonylContact O-C 3.58Å; L6-S21 WeakPolarHBondContact O-CA 3.31Å; S21-Y23 WeakPolarHBondContact CB-OH 3.48Å; S21-Y23 WeakPolarHBondContact OG-CE2 3.31Å; S21-Y23 PolarHBondContact OG-OH 3.4Å; S21-L123 VanDerWaalsContact CA-CD2 3.47Å
22A97.9Very high93.7Very high1 Ų161.2 Ų61.21%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-131.6146.2173.400000108.6S5 L6 L123 D124 L127S5-A22 WeakPolarHBondContact CA-O 3.48Å; L6-A22 PolarHBondContact N-O 3.26Å; L6-A22 PolarHBondContact O-N 3.26Å; A22-L123 HydrophobicContact CB-CB 4.17Å; A22-L123 HydrophobicContact CB-CD2 4.18Å; A22-L123 HydrophobicContact CB-CG 3.96Å; A22-D124 HydrophobicContact CB-CB 4.45Å; A22-D124 WeakPolarHBondContact CB-OD1 3.3Å; A22-L127 HydrophobicContact CB-CB 4.3Å; A22-L127 HydrophobicContact CB-CD2 3.86Å
23Y97.9Very high93.7Very high47 Ų4764.4 Ų64.418%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-138.5140.1-174.7-53.9-87.5000111.8Y4 S21 Q37 M40 T41Y4-Y23 CarbonylContact O-C 3.59Å; Y4-Y23 WeakPolarHBondContact O-CA 3.37Å; S21-Y23 WeakPolarHBondContact CB-OH 3.48Å; S21-Y23 WeakPolarHBondContact OG-CE2 3.31Å; S21-Y23 PolarHBondContact OG-OH 3.4Å; Y23-Q37 HydrophobicContact CD1-CG 3.78Å; Y23-Q37 HydrophobicContact CD2-CG 3.76Å; Y23-Q37 HydrophobicContact CE1-CG 3.74Å; Y23-Q37 HydrophobicContact CE2-CG 3.72Å; Y23-Q37 HydrophobicContact CG-CG 3.81Å; Y23-M40 HydrophobicContact CD1-SD 4.49Å; Y23-M40 HydrophobicContact CE1-CB 4.18Å; Y23-T41 PolarHBondContact OH-OG1 2.99Å
24D97.1Very high94Very high42 Ų4262.6 Ų62.623%0.22533%0.327CS..  trans-120.493.4165.8-179.4-9.9000109.7K2 Y4 S26 L127 Q131K2-D24 WeakPolarHBondContact CE-OD1 3.39Å; K2-D24 WeakPolarHBondContact CE-OD2 3.28Å; K2-D24 PolarHBondContact NZ-O 3.4Å; K2-D24 IonicContact NZ-OD1 2.87Å; K2-D24 PolarHBondContact NZ-OD1 3.28Å; K2-D24 IonicContact NZ-OD2 3.54Å; Y4-D24 PolarHBondContact O-N 3.47Å; D24-S26 WeakPolarHBondContact OD1-CB 3.39Å; D24-S26 PolarHBondContact OD1-N 3.41Å; D24-S26 VanDerWaalsContact OD1-N 3.1Å; D24-S26 PolarHBondContact OD1-OG 2.6Å; D24-L127 HydrophobicContact CB-CD2 4.36Å; D24-Q131 PolarHBondContact OD2-NE2 2.92Å
25L95.9Very high94.4Very high16 Ų1656.8 Ų56.88%0.08429%0.292CS..  trans-102.617.1-177.9-51179.8000112.8S27 F28 R33 V36 Q37 M40L25-S27 PolarHBondContact O-N 3.06Å; L25-F28 HydrophobicContact CB-CD2 4.12Å; L25-F28 HydrophobicContact CD2-CD2 4.08Å; L25-F28 HydrophobicContact CD2-CE2 4.12Å; L25-F28 PolarHBondContact O-N 2.78Å; L25-R33 HydrophobicContact CB-CB 4.26Å; L25-R33 HydrophobicContact CB-CG 3.96Å; L25-R33 HydrophobicContact CD1-CB 4.19Å; L25-R33 VanDerWaalsContact CD1-O 3.3Å; L25-R33 WeakPolarHBondContact CD1-O 3.36Å; L25-R33 PolarHBondContact O-NE 2.91Å; L25-V36 HydrophobicContact CD2-CG1 3.92Å; L25-Q37 HydrophobicContact CD1-CB 3.68Å; L25-Q37 HydrophobicContact CD1-CG 4.23Å; L25-M40 HydrophobicContact CD2-CE 4.03Å; L25-M40 HydrophobicContact CD2-SD 3.67Å
26S94.4Very high94.6Very high73 Ų7352 Ų5251%0.5127%0.273SS..THydrogen-bonded Turntrans-60.8-28-174.457.30000113.5K2 D24 F28 R33K2-S26 PolarHBondContact NZ-OG 3.32Å; D24-S26 WeakPolarHBondContact OD1-CB 3.39Å; D24-S26 PolarHBondContact OD1-N 3.41Å; D24-S26 VanDerWaalsContact OD1-N 3.1Å; D24-S26 PolarHBondContact OD1-OG 2.6Å; S26-F28 VanDerWaalsContact C-N 3.34Å; S26-R33 PolarHBondContact O-NH2 3.18Å
27S92.8Very high94.7Very high70 Ų7055.6 Ų55.649%0.4929%0.289SS..THydrogen-bonded Turntrans-76.7-16.5177.6460000113.9K2 L25K2-S27 PolarHBondContact NZ-OG 3.1Å; K2-S27 VanDerWaalsContact NZ-OG 3.12Å; L25-S27 PolarHBondContact O-N 3.06Å
28F92.6Very high94.8Very high31 Ų3155.6 Ų55.614%0.13629%0.287CS..SBendtrans-92148.7177-59.9-83.5000111.1Y4 L25 S26 F30 R33 V36 M40 Y64Y4-F28 AromaticContact CD1-CE2 3.53Å; Y4-F28 HydrophobicContact CD1-CE2 3.53Å; Y4-F28 AromaticContact CD1-CZ 4Å; Y4-F28 HydrophobicContact CD1-CZ 4Å; Y4-F28 AromaticContact CE1-CE2 3.72Å; Y4-F28 HydrophobicContact CE1-CE2 3.72Å; Y4-F28 AromaticContact CE1-CZ 3.91Å; Y4-F28 HydrophobicContact CE1-CZ 3.91Å; Y4-F28 HydrophobicContact CG-CE2 4.37Å; L25-F28 HydrophobicContact CB-CD2 4.12Å; L25-F28 HydrophobicContact CD2-CD2 4.08Å; L25-F28 HydrophobicContact CD2-CE2 4.12Å; L25-F28 PolarHBondContact O-N 2.78Å; S26-F28 VanDerWaalsContact C-N 3.34Å; F28-F30 PolarHBondContact O-N 3.41Å; F28-R33 HydrophobicContact CB-CG 4.24Å; F28-R33 PolarHBondContact O-NE 3.23Å; F28-R33 PolarHBondContact O-NH2 3.25Å; F28-V36 HydrophobicContact CD1-CG1 4.32Å; F28-V36 HydrophobicContact CD1-CG2 3.97Å; F28-V36 HydrophobicContact CD2-CG1 4Å; F28-V36 HydrophobicContact CE1-CG1 4.17Å; F28-V36 HydrophobicContact CE1-CG2 4.34Å; F28-V36 HydrophobicContact CE2-CG1 3.84Å; F28-V36 HydrophobicContact CG-CG1 4.24Å; F28-V36 HydrophobicContact CG-CG2 4.18Å; F28-V36 HydrophobicContact CZ-CG1 3.93Å; F28-M40 HydrophobicContact CE2-CE 3.92Å; F28-M40 HydrophobicContact CZ-CE 4Å; F28-Y64 HydrophobicContact CZ-CE1 4.3Å
29S93.6Very high94.7Very high71 Ų7155.7 Ų55.750%0.49729%0.286SS..  trans-53.9136.1173.2-62.30000110.6F31 Q32 R33S29-F31 PolarHBondContact O-N 3.07Å; S29-F31 VanDerWaalsContact O-N 3.08Å; S29-Q32 PolarHBondContact O-N 3.03Å; S29-R33 WeakPolarHBondContact O-CG 3.28Å; S29-R33 PolarHBondContact O-N 3.27Å
30F90.4Very high94.7Very high151 Ų15156.3 Ų56.366%0.66229%0.289SS*.G310 helixtrans-48.5-43.5-175.9179.7-99.1000113.2F28 Q32 R33F28-F30 PolarHBondContact O-N 3.41Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 3.3Å; F30-R33 PolarHBondContact O-N 3.47Å
31F89.3Confident94.6Very high177 Ų17755 Ų5578%0.77629%0.285SS*.G310 helixtrans-70.3-17-179.1-56.8-69.3000115S29S29-F31 PolarHBondContact O-N 3.07Å; S29-F31 VanDerWaalsContact O-N 3.08Å
32Q90.1Very high94.5Very high74 Ų7454.6 Ų54.635%0.34628%0.28SS..G310 helixtrans-97.6-18.3-179.7-67.5171.9-29.600112.3S29 F30 S34 S35 V36 F184S29-Q32 PolarHBondContact O-N 3.03Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 3.3Å; Q32-S34 VanDerWaalsContact C-N 3.31Å; Q32-S34 PolarHBondContact O-N 3.38Å; Q32-S35 PolarHBondContact O-N 2.88Å; Q32-V36 HydrophobicContact CB-CG2 4.39Å; Q32-V36 WeakPolarHBondContact O-CG2 3.37Å; Q32-V36 PolarHBondContact O-N 3.44Å; Q32-F184 HydrophobicContact CG-CE2 4.1Å; Q32-F184 HydrophobicContact CG-CZ 4.42Å
33R93.5Very high94.5Very high89 Ų8955.9 Ų55.934%0.33629%0.288SS..Hα-helixtrans-54.8-42.8-171.9-68.1-178.8-177.5175-1.8113L25 S26 F28 S29 F30 S35 V36 Q37L25-R33 HydrophobicContact CB-CB 4.26Å; L25-R33 HydrophobicContact CB-CG 3.96Å; L25-R33 HydrophobicContact CD1-CB 4.19Å; L25-R33 VanDerWaalsContact CD1-O 3.3Å; L25-R33 WeakPolarHBondContact CD1-O 3.36Å; L25-R33 PolarHBondContact O-NE 2.91Å; S26-R33 PolarHBondContact O-NH2 3.18Å; F28-R33 HydrophobicContact CB-CG 4.24Å; F28-R33 PolarHBondContact O-NE 3.23Å; F28-R33 PolarHBondContact O-NH2 3.25Å; S29-R33 WeakPolarHBondContact O-CG 3.28Å; S29-R33 PolarHBondContact O-N 3.27Å; F30-R33 PolarHBondContact O-N 3.47Å; R33-S35 PolarHBondContact O-N 3Å; R33-V36 PolarHBondContact O-N 3.29Å; R33-Q37 WeakPolarHBondContact O-CB 3.27Å; R33-Q37 PolarHBondContact O-N 2.87Å
34S94.9Very high94.4Very high71 Ų7153.7 Ų53.750%0.49728%0.28SS..Hα-helixtrans-58.8-48.9177.8-165.40000111.6Q32 V36 Q37 E38Q32-S34 VanDerWaalsContact C-N 3.31Å; Q32-S34 PolarHBondContact O-N 3.38Å; S34-V36 PolarHBondContact O-N 3.08Å; S34-Q37 WeakPolarHBondContact O-CB 3.46Å; S34-Q37 PolarHBondContact O-N 3.31Å; S34-E38 WeakPolarHBondContact O-CG 3.4Å; S34-E38 PolarHBondContact O-N 3.22Å; S34-E38 VanDerWaalsContact O-N 3.08Å
35S94.5Very high94.4Very high3 Ų351.9 Ų51.92%0.02127%0.27CS..Hα-helixtrans-66.6-39.9179.8-64.90000112.4Q32 R33 Q37 E38 F39 S181Q32-S35 PolarHBondContact O-N 2.88Å; R33-S35 PolarHBondContact O-N 3Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 3.07Å; S35-E38 PolarHBondContact O-N 3.42Å; S35-F39 WeakPolarHBondContact O-CD2 3.46Å; S35-F39 PolarHBondContact O-N 2.62Å; S35-S181 VanDerWaalsContact CA-OG 3.25Å; S35-S181 WeakPolarHBondContact CA-OG 3.29Å; S35-S181 WeakPolarHBondContact CB-OG 3.41Å; S35-S181 PolarHBondContact OG-OG 2.98Å
36V94.5Very high94.4Very high17 Ų1751.4 Ų51.410%0.10327%0.268CS..Hα-helixtrans-61.6-43.2175.9175.50000110.9L25 F28 Q32 R33 S34 F39 M40L25-V36 HydrophobicContact CD2-CG1 3.92Å; F28-V36 HydrophobicContact CD1-CG1 4.32Å; F28-V36 HydrophobicContact CD1-CG2 3.97Å; F28-V36 HydrophobicContact CD2-CG1 4Å; F28-V36 HydrophobicContact CE1-CG1 4.17Å; F28-V36 HydrophobicContact CE1-CG2 4.34Å; F28-V36 HydrophobicContact CE2-CG1 3.84Å; F28-V36 HydrophobicContact CG-CG1 4.24Å; F28-V36 HydrophobicContact CG-CG2 4.18Å; F28-V36 HydrophobicContact CZ-CG1 3.93Å; Q32-V36 HydrophobicContact CB-CG2 4.39Å; Q32-V36 WeakPolarHBondContact O-CG2 3.37Å; Q32-V36 PolarHBondContact O-N 3.44Å; R33-V36 PolarHBondContact O-N 3.29Å; S34-V36 PolarHBondContact O-N 3.08Å; V36-F39 PolarHBondContact O-N 2.89Å; V36-M40 HydrophobicContact CG1-CE 3.4Å; V36-M40 VanDerWaalsContact CG1-CE 3.4Å; V36-M40 HydrophobicContact CG1-CG 4.45Å; V36-M40 HydrophobicContact CG1-SD 4.03Å; V36-M40 WeakPolarHBondContact O-CG 3.35Å; V36-M40 PolarHBondContact O-N 3.38Å
37Q96.1Very high94.5Very high84 Ų8447.9 Ų47.939%0.39324%0.244SC..Hα-helixtrans-60-47.7177-165.5177.2-50.200112Y23 L25 R33 S34 S35 F39 M40 T41Y23-Q37 HydrophobicContact CD1-CG 3.78Å; Y23-Q37 HydrophobicContact CD2-CG 3.76Å; Y23-Q37 HydrophobicContact CE1-CG 3.74Å; Y23-Q37 HydrophobicContact CE2-CG 3.72Å; Y23-Q37 HydrophobicContact CG-CG 3.81Å; L25-Q37 HydrophobicContact CD1-CB 3.68Å; L25-Q37 HydrophobicContact CD1-CG 4.23Å; R33-Q37 WeakPolarHBondContact O-CB 3.27Å; R33-Q37 PolarHBondContact O-N 2.87Å; S34-Q37 WeakPolarHBondContact O-CB 3.46Å; S34-Q37 PolarHBondContact O-N 3.31Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 3.07Å; Q37-F39 VanDerWaalsContact C-N 3.32Å; Q37-F39 PolarHBondContact O-N 3.1Å; Q37-M40 PolarHBondContact O-N 2.93Å; Q37-T41 PolarHBondContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.41Å
38E95.9Very high94.7Very high50 Ų5044.6 Ų44.623%0.23422%0.22CC..Hα-helixtrans-60.8-41.6177.5-72.5176.1-157.600111.4S34 S35 T41 F42 L177 G178 S181S34-E38 WeakPolarHBondContact O-CG 3.4Å; S34-E38 PolarHBondContact O-N 3.22Å; S34-E38 VanDerWaalsContact O-N 3.08Å; S35-E38 PolarHBondContact O-N 3.42Å; E38-T41 WeakPolarHBondContact O-CB 3.42Å; E38-T41 PolarHBondContact O-N 3.32Å; E38-F42 WeakPolarHBondContact O-CB 3.4Å; E38-F42 PolarHBondContact O-N 2.92Å; E38-L177 VanDerWaalsContact C-CD2 3.5Å; E38-L177 HydrophobicContact CB-CD2 3.82Å; E38-L177 WeakPolarHBondContact O-CD2 3.4Å; E38-G178 PolarHBondContact OE2-N 3.06Å; E38-S181 VanDerWaalsContact CD-OG 3.29Å; E38-S181 WeakPolarHBondContact OE2-CB 3.3Å; E38-S181 PolarHBondContact OE2-OG 3.06Å
39F95Very high94.9Very high31 Ų3146.2 Ų46.214%0.13623%0.228CC..Hα-helixtrans-64.4-44.9174.6-88.5-69.6000112.9S35 V36 Q37 T41 F42 T43 V171 L177 S181 F184 Y185S35-F39 WeakPolarHBondContact O-CD2 3.46Å; S35-F39 PolarHBondContact O-N 2.62Å; V36-F39 PolarHBondContact O-N 2.89Å; Q37-F39 VanDerWaalsContact C-N 3.32Å; Q37-F39 PolarHBondContact O-N 3.1Å; F39-T41 PolarHBondContact O-N 2.83Å; F39-F42 HydrophobicContact CD1-CD1 4.41Å; F39-F42 PolarHBondContact O-N 2.95Å; F39-T43 VanDerWaalsContact O-CB 3.3Å; F39-T43 WeakPolarHBondContact O-CB 3.37Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 2.92Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å; F39-V171 HydrophobicContact CE1-CG1 4.32Å; F39-V171 HydrophobicContact CE1-CG2 4.17Å; F39-V171 HydrophobicContact CZ-CG1 4.32Å; F39-L177 HydrophobicContact CD1-CD1 4.24Å; F39-L177 HydrophobicContact CD1-CD2 4.06Å; F39-L177 HydrophobicContact CD2-CD2 4.37Å; F39-L177 HydrophobicContact CE1-CD1 3.58Å; F39-L177 HydrophobicContact CE1-CD2 4.08Å; F39-L177 HydrophobicContact CE2-CD2 4.37Å; F39-L177 HydrophobicContact CG-CD2 4.16Å; F39-L177 HydrophobicContact CZ-CD1 3.81Å; F39-L177 HydrophobicContact CZ-CD2 4.17Å; F39-S181 VanDerWaalsContact CE2-O 3.23Å; F39-S181 WeakPolarHBondContact CE2-O 3.42Å; F39-F184 HydrophobicContact CE2-CD1 4.44Å; F39-Y185 AromaticContact CE1-CD2 3.87Å; F39-Y185 HydrophobicContact CE1-CD2 3.87Å; F39-Y185 HydrophobicContact CE1-CG 4.11Å; F39-Y185 HydrophobicContact CZ-CD2 4.03Å; F39-Y185 AromaticContact CZ-CG 3.87Å; F39-Y185 HydrophobicContact CZ-CG 3.87Å
40M96.1Very high94.9Very high13 Ų1346.6 Ų46.66%0.06422%0.219CC..Hα-helixtrans-60.6-36.8176.3-72.6176.5-179.100111.7Y4 Y23 L25 F28 V36 Q37 S44 I80Y4-M40 HydrophobicContact CD1-CE 4.36Å; Y4-M40 HydrophobicContact CG-CE 3.89Å; Y23-M40 HydrophobicContact CD1-SD 4.49Å; Y23-M40 HydrophobicContact CE1-CB 4.18Å; L25-M40 HydrophobicContact CD2-CE 4.03Å; L25-M40 HydrophobicContact CD2-SD 3.67Å; F28-M40 HydrophobicContact CE2-CE 3.92Å; F28-M40 HydrophobicContact CZ-CE 4Å; V36-M40 HydrophobicContact CG1-CE 3.4Å; V36-M40 VanDerWaalsContact CG1-CE 3.4Å; V36-M40 HydrophobicContact CG1-CG 4.45Å; V36-M40 HydrophobicContact CG1-SD 4.03Å; V36-M40 WeakPolarHBondContact O-CG 3.35Å; V36-M40 PolarHBondContact O-N 3.38Å; Q37-M40 PolarHBondContact O-N 2.93Å; M40-S44 WeakPolarHBondContact O-CB 3.46Å; M40-S44 PolarHBondContact O-N 3.3Å; M40-S44 PolarHBondContact O-OG 3.18Å; M40-I80 HydrophobicContact CB-CD1 3.88Å; M40-I80 HydrophobicContact CG-CD1 3.91Å
41T96.6Very high95.1Very high18 Ų1839.8 Ų39.811%0.1119%0.19CC..Hα-helixtrans-65.4-51.3175.1-52.70000111.2L18 Y23 Q37 E38 F39 T43 S44 A45L18-T41 HydrophobicContact CD2-CG2 3.83Å; Y23-T41 PolarHBondContact OH-OG1 2.99Å; Q37-T41 PolarHBondContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.41Å; E38-T41 WeakPolarHBondContact O-CB 3.42Å; E38-T41 PolarHBondContact O-N 3.32Å; F39-T41 PolarHBondContact O-N 2.83Å; T41-T43 PolarHBondContact O-N 2.8Å; T41-S44 PolarHBondContact O-N 3.16Å; T41-A45 PolarHBondContact O-N 3.28Å
42F96.1Very high95.4Very high17 Ų1734.3 Ų34.38%0.07518%0.178CC..Hα-helixtrans-58.6-46.9177.7166-104.4000112E38 F39 S44 A45 L46 L167 L170 V171 S174 H176 L177E38-F42 WeakPolarHBondContact O-CB 3.4Å; E38-F42 PolarHBondContact O-N 2.92Å; F39-F42 HydrophobicContact CD1-CD1 4.41Å; F39-F42 PolarHBondContact O-N 2.95Å; F42-S44 PolarHBondContact O-N 3Å; F42-A45 PolarHBondContact O-N 2.96Å; F42-L46 HydrophobicContact CE1-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CD2 4.12Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 3.39Å; F42-L167 HydrophobicContact CE1-CD1 4.28Å; F42-L170 HydrophobicContact CE2-CB 4.5Å; F42-L170 HydrophobicContact CZ-CB 4Å; F42-V171 HydrophobicContact CE1-CG2 3.88Å; F42-V171 HydrophobicContact CZ-CG2 4.17Å; F42-S174 WeakPolarHBondContact CD2-OG 3.4Å; F42-H176 HydrophobicContact CB-CB 4.25Å; F42-L177 HydrophobicContact CB-CD1 4.45Å; F42-L177 HydrophobicContact CB-CD2 3.86Å; F42-L177 HydrophobicContact CB-CG 4.1Å; F42-L177 HydrophobicContact CD1-CD1 4.25Å; F42-L177 HydrophobicContact CD2-CD1 4.5Å; F42-L177 HydrophobicContact CG-CD1 4.13Å; F42-L177 HydrophobicContact CG-CD2 4.42Å; F42-L177 HydrophobicContact CG-CG 4.25Å
43T96.1Very high95.7Very high28 Ų2835 Ų3517%0.17218%0.181CC..Hα-helixtrans-61.2-43.9177.6-66.70000111.2F39 T41 A45 L46 I47 I80 M157F39-T43 VanDerWaalsContact O-CB 3.3Å; F39-T43 WeakPolarHBondContact O-CB 3.37Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 2.92Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å; T41-T43 PolarHBondContact O-N 2.8Å; T43-A45 PolarHBondContact O-N 3.49Å; T43-L46 PolarHBondContact O-N 2.94Å; T43-I47 HydrophobicContact CG2-CD1 3.67Å; T43-I47 HydrophobicContact CG2-CG1 4.31Å; T43-I47 WeakPolarHBondContact O-CB 3.3Å; T43-I47 WeakPolarHBondContact O-CG1 3.32Å; T43-I47 PolarHBondContact O-N 3.34Å; T43-I80 HydrophobicContact CG2-CD1 4.3Å; T43-M157 HydrophobicContact CG2-CE 3.65Å
44S97.4Very high95.7Very high1 Ų132.6 Ų32.61%0.00718%0.183CC..Hα-helixtrans-60.2-45.6176.9-59.80000111.8S7 M40 T41 F42 V48S7-S44 WeakPolarHBondContact OG-CB 3.23Å; S7-S44 PolarHBondContact OG-OG 3.43Å; M40-S44 WeakPolarHBondContact O-CB 3.46Å; M40-S44 PolarHBondContact O-N 3.3Å; M40-S44 PolarHBondContact O-OG 3.18Å; T41-S44 PolarHBondContact O-N 3.16Å; F42-S44 PolarHBondContact O-N 3Å; S44-V48 WeakPolarHBondContact O-CG2 3.37Å; S44-V48 PolarHBondContact O-N 3.46Å; S44-V48 VanDerWaalsContact O-N 3.13Å
45A96.6Very high95.8Very high4 Ų430 Ų303%0.03317%0.165CC..Hα-helixtrans-60.8-49.8177.200000112L9 S16 T41 F42 T43 I47 V48 E49L9-A45 HydrophobicContact CD2-CB 4.26Å; S16-A45 VanDerWaalsContact OG-CA 3.25Å; S16-A45 WeakPolarHBondContact OG-CA 3.46Å; S16-A45 VanDerWaalsContact OG-CB 3.26Å; S16-A45 WeakPolarHBondContact OG-CB 3.31Å; S16-A45 PolarHBondContact OG-O 3.39Å; T41-A45 PolarHBondContact O-N 3.28Å; F42-A45 PolarHBondContact O-N 2.96Å; T43-A45 PolarHBondContact O-N 3.49Å; A45-I47 PolarHBondContact O-N 2.97Å; A45-V48 PolarHBondContact O-N 3.41Å; A45-E49 WeakPolarHBondContact O-CG 3.41Å; A45-E49 PolarHBondContact O-N 3.06Å
46L95.8Very high95.8Very high6 Ų631.5 Ų31.53%0.03117%0.17CC..Hα-helixtrans-59.7-45.6179.7179.561.2000111.9F42 T43 V48 E49 R50 M157 L161 L167 L170F42-L46 HydrophobicContact CE1-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CD2 4.12Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 3.39Å; T43-L46 PolarHBondContact O-N 2.94Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 2.92Å; L46-E49 PolarHBondContact O-N 2.82Å; L46-R50 HydrophobicContact CD1-CG 4.04Å; L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.18Å; L46-R50 PolarHBondContact O-N 2.71Å; L46-M157 HydrophobicContact CD2-CG 4.2Å; L46-M157 HydrophobicContact CD2-SD 3.75Å; L46-M157 HydrophobicContact CG-SD 4.32Å; L46-L161 HydrophobicContact CD1-CD2 4.49Å; L46-L161 HydrophobicContact CD2-CD2 4.39Å; L46-L167 HydrophobicContact CD2-CD1 4Å; L46-L170 HydrophobicContact CD1-CD1 4.04Å; L46-L170 HydrophobicContact CD2-CD1 4.29Å
47I96.6Very high95.9Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-61.7-44179.1-67.3169.8000110.7T43 A45 E49 R50 S51 V59 C66 V68 M157 L160T43-I47 HydrophobicContact CG2-CD1 3.67Å; T43-I47 HydrophobicContact CG2-CG1 4.31Å; T43-I47 WeakPolarHBondContact O-CB 3.3Å; T43-I47 WeakPolarHBondContact O-CG1 3.32Å; T43-I47 PolarHBondContact O-N 3.34Å; A45-I47 PolarHBondContact O-N 2.97Å; I47-E49 VanDerWaalsContact C-N 3.35Å; I47-E49 PolarHBondContact O-N 3.2Å; I47-R50 PolarHBondContact O-N 3.22Å; I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.04Å; I47-S51 PolarHBondContact O-N 2.99Å; I47-S51 PolarHBondContact O-OG 3.03Å; I47-V59 HydrophobicContact CD1-CB 4.21Å; I47-V59 HydrophobicContact CD1-CG2 4.14Å; I47-V59 HydrophobicContact CG1-CG2 4.17Å; I47-V59 HydrophobicContact CG2-CG2 4.11Å; I47-C66 HydrophobicContact CD1-CB 3.37Å; I47-V68 HydrophobicContact CG2-CB 3.62Å; I47-V68 HydrophobicContact CG2-CG1 3.41Å; I47-V68 VanDerWaalsContact CG2-CG1 3.41Å; I47-V68 HydrophobicContact CG2-CG2 4.03Å; I47-M157 HydrophobicContact CD1-CE 3.97Å; I47-M157 HydrophobicContact CG1-CE 3.87Å; I47-M157 HydrophobicContact CG1-SD 4.28Å; I47-L160 HydrophobicContact CB-CD1 4.4Å; I47-L160 HydrophobicContact CG1-CD1 3.87Å
48V97.4Very high96Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-63.6-41.5177.7169.30000111.2L9 K11 S44 A45 L46 R50 S51 V68 S76 V78L9-V48 HydrophobicContact CB-CG2 4.43Å; L9-V48 HydrophobicContact CD1-CG2 4.19Å; L9-V48 HydrophobicContact CD2-CG2 4.48Å; K11-V48 HydrophobicContact CB-CG1 3.78Å; K11-V48 HydrophobicContact CD-CG1 4.37Å; K11-V48 WeakPolarHBondContact CD-O 3.33Å; K11-V48 HydrophobicContact CG-CG1 4.06Å; K11-V48 PolarHBondContact NZ-O 2.86Å; S44-V48 WeakPolarHBondContact O-CG2 3.37Å; S44-V48 PolarHBondContact O-N 3.46Å; S44-V48 VanDerWaalsContact O-N 3.13Å; A45-V48 PolarHBondContact O-N 3.41Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 2.92Å; V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 PolarHBondContact O-N 3.15Å; V48-S51 PolarHBondContact O-N 2.78Å; V48-V68 HydrophobicContact CG2-CG2 4.05Å; V48-S76 WeakPolarHBondContact CG1-OG 3.44Å; V48-V78 HydrophobicContact CG2-CG2 3.56Å
49E95.7Very high96Very high65 Ų6524.4 Ų24.430%0.30414%0.136SC..Hα-helixtrans-62.1-38.2178-75.6167-166.300112.1K11 S16 A45 L46 I47K11-E49 PolarHBondContact NZ-O 2.78Å; S16-E49 PolarHBondContact N-OE1 2.82Å; S16-E49 PolarHBondContact OG-OE1 3.21Å; A45-E49 WeakPolarHBondContact O-CG 3.41Å; A45-E49 PolarHBondContact O-N 3.06Å; L46-E49 PolarHBondContact O-N 2.82Å; I47-E49 VanDerWaalsContact C-N 3.35Å; I47-E49 PolarHBondContact O-N 3.2Å
50R94.4Very high96Very high80 Ų8027.4 Ų27.430%0.30215%0.149SC..Hα-helixtrans-86.6-14.8-179.6-57.9-58.5179.9179.41.6114.6L46 I47 V48 L160 E162 E165L46-R50 HydrophobicContact CD1-CG 4.04Å; L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.18Å; L46-R50 PolarHBondContact O-N 2.71Å; I47-R50 PolarHBondContact O-N 3.22Å; V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 PolarHBondContact O-N 3.15Å; R50-L160 HydrophobicContact CB-CB 3.97Å; R50-L160 HydrophobicContact CB-CD2 4.16Å; R50-L160 HydrophobicContact CB-CG 4.47Å; R50-L160 WeakPolarHBondContact CD-O 3.48Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 2.96Å; R50-E162 IonicContact CZ-OE1 2.73Å; R50-E162 IonicContact NH1-OE1 2.68Å; R50-E162 PolarHBondContact NH1-OE1 3.4Å; R50-E165 IonicContact CZ-OE1 2.79Å; R50-E165 IonicContact CZ-OE2 3.36Å; R50-E165 VanDerWaalsContact NH2-CD 3.25Å; R50-E165 IonicContact NH2-OE1 3.39Å; R50-E165 PolarHBondContact NH2-OE1 2.88Å; R50-E165 IonicContact NH2-OE2 2.98Å; R50-E165 PolarHBondContact NH2-OE2 2.64Å
51S94.9Very high95.7Very high8 Ų829.5 Ų29.56%0.05616%0.159CC..SBendtrans-84.2144.2178.6-61.80000112.4K11 I47 V48K11-S51 WeakPolarHBondContact CE-O 3.26Å; K11-S51 PolarHBondContact NZ-O 3.43Å; I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.04Å; I47-S51 PolarHBondContact O-N 2.99Å; I47-S51 PolarHBondContact O-OG 3.03Å; V48-S51 PolarHBondContact O-N 2.78Å
52A94.7Very high95.3Very high62 Ų6234.9 Ų34.951%0.51218%0.183SC..PPolyproline II helixtrans-75.7156176.300000112S55 V70A52-S55 PolarHBondContact N-OG 2.8Å; A52-S55 WeakPolarHBondContact O-CB 3.31Å; A52-S55 PolarHBondContact O-N 2.83Å; A52-S55 PolarHBondContact O-OG 2.85Å; A52-V70 WeakPolarHBondContact O-CB 3.41Å
53H96.3Very high95Very high89 Ų8939.6 Ų39.641%0.41221%0.205SC..THydrogen-bonded Turntrans-62.6145.7169.2-66.4-59.7000111.3K11 S55 S74K11-H53 VanDerWaalsContact CD-CE1 3.42Å; K11-H53 WeakPolarHBondContact CD-CE1 3.28Å; H53-S55 PolarHBondContact O-N 2.85Å; H53-S74 PolarHBondContact CE1-OG 2.98Å
54G94.9Very high94.9Very high37 Ų3740.9 Ų40.938%0.38121%0.207SC..THydrogen-bonded Turntrans68.516.9-179.300000114.2V70 N72G54-V70 CarbonylContact C-O 3.52Å; G54-V70 WeakPolarHBondContact CA-O 3.41Å; G54-V70 PolarHBondContact N-O 3.21Å; G54-N72 WeakPolarHBondContact CA-OD1 3.44Å; G54-N72 PolarHBondContact N-OD1 2.83Å
55S95.1Very high94.9Very high17 Ų1741.7 Ų41.712%0.11921%0.211CC..EExtended strand (participates in β ladder)trans-112.7150.2-175.477.10000112.6A52 H53 V70A52-S55 PolarHBondContact N-OG 2.8Å; A52-S55 WeakPolarHBondContact O-CB 3.31Å; A52-S55 PolarHBondContact O-N 2.83Å; A52-S55 PolarHBondContact O-OG 2.85Å; H53-S55 PolarHBondContact O-N 2.85Å; S55-V70 PolarHBondContact N-O 2.96Å; S55-V70 VanDerWaalsContact N-O 3.15Å; S55-V70 PolarHBondContact O-N 2.83Å
56R96Very high94.9Very high34 Ų3441.7 Ų41.713%0.12821%0.211CC..EExtended strand (participates in β ladder)trans-116.6131.3169.8-70.7-175.1179.180.2-5.7108.4V68 Y69 F91 D95 T149 I151 I152R56-V68 WeakPolarHBondContact CA-O 3.31Å; R56-Y69 HydrophobicContact CG-CD2 3.5Å; R56-Y69 VanDerWaalsContact CG-CD2 3.5Å; R56-Y69 HydrophobicContact CG-CE2 4.15Å; R56-Y69 HydrophobicContact CG-CG 3.93Å; R56-Y69 VanDerWaalsContact NH2-CE1 3.27Å; R56-Y69 VanDerWaalsContact NH2-CZ 3.27Å; R56-Y69 PolarHBondContact NH2-OH 2.96Å; R56-F91 HydrophobicContact CB-CD1 4.33Å; R56-F91 HydrophobicContact CB-CE1 3.68Å; R56-F91 HydrophobicContact CB-CZ 4.14Å; R56-F91 HydrophobicContact CG-CD1 4.14Å; R56-F91 HydrophobicContact CG-CE1 3.92Å; R56-D95 IonicContact CZ-OD1 3.59Å; R56-D95 IonicContact NE-OD1 3.77Å; R56-D95 IonicContact NH2-OD1 3.33Å; R56-D95 PolarHBondContact NH2-OD1 2.99Å; R56-D95 IonicContact NH2-OD2 2.64Å; R56-T149 HydrophobicContact CG-CG2 4.47Å; R56-I151 HydrophobicContact CB-CG1 4.2Å; R56-I152 PolarHBondContact O-N 3.34Å
57A96.6Very high95Very high2 Ų241.4 Ų41.42%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-139.7154.7179.100000111.8V68 I152A57-V68 HydrophobicContact CB-CG1 3.7Å; A57-V68 PolarHBondContact N-O 2.7Å; A57-V68 WeakPolarHBondContact O-CG1 3.36Å; A57-V68 PolarHBondContact O-N 3.42Å; A57-I152 CarbonylContact C-O 3.5Å; A57-I152 WeakPolarHBondContact CA-O 3.37Å; A57-I152 HydrophobicContact CB-CB 4.04Å
58S97.1Very high95.1Very high0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-123.9130170.5-540000108.6C66 H67 I152 H154S58-C66 CarbonylContact C-O 3.51Å; S58-C66 VanDerWaalsContact CA-O 3.3Å; S58-C66 WeakPolarHBondContact CA-O 3.46Å; S58-H67 PolarHBondContact OG-ND1 3.17Å; S58-I152 PolarHBondContact N-O 3.42Å; S58-H154 PolarHBondContact O-N 3.29Å
59V97.1Very high95.1Very high0 Ų043.1 Ų43.10%022%0.216CC..EExtended strand (participates in β ladder)trans-117.8111.7-178.1-172.40000107.4I47 C66 H154 M157 L160I47-V59 HydrophobicContact CD1-CB 4.21Å; I47-V59 HydrophobicContact CD1-CG2 4.14Å; I47-V59 HydrophobicContact CG1-CG2 4.17Å; I47-V59 HydrophobicContact CG2-CG2 4.11Å; V59-C66 HydrophobicContact CB-CB 4.3Å; V59-C66 PolarHBondContact N-O 3.44Å; V59-C66 PolarHBondContact O-N 2.95Å; V59-H154 HydrophobicContact CB-CB 4.26Å; V59-H154 HydrophobicContact CG1-CB 4.08Å; V59-H154 HydrophobicContact CG2-CB 4.07Å; V59-M157 HydrophobicContact CG1-CE 3.87Å; V59-L160 HydrophobicContact CG1-CD1 4.04Å; V59-L160 HydrophobicContact CG2-CD1 3.69Å; V59-L160 HydrophobicContact CG2-CG 4.38Å
60K94.9Very high95.2Very high94 Ų9440 Ų4041%0.40920%0.202SC..EExtended strand (participates in β ladder)trans-81.9137176-173.9178-178.7-179.70108.9Q62 L65 H154 N155 T156K60-Q62 VanDerWaalsContact CE-O 3.31Å; K60-Q62 WeakPolarHBondContact CE-O 3.33Å; K60-L65 HydrophobicContact CB-CD1 3.82Å; K60-L65 HydrophobicContact CG-CD1 4.39Å; K60-H154 PolarHBondContact N-O 3.02Å; K60-N155 CarbonylContact O-C 3.45Å; K60-N155 VanDerWaalsContact O-O 3.05Å; K60-T156 WeakPolarHBondContact O-CA 3.43Å; K60-T156 PolarHBondContact O-N 2.97Å
61E89.9Confident95.3Very high57 Ų5738.7 Ų38.727%0.26620%0.197SC..EExtended strand (participates in β ladder)trans-143104.3171.3-172.461.4-142.700107.6E63 Y64 M157E61-E63 PolarHBondContact O-N 3.31Å; E61-Y64 PolarHBondContact N-O 2.7Å; E61-Y64 WeakPolarHBondContact O-CB 3.48Å; E61-Y64 PolarHBondContact O-N 3.47Å; E61-M157 WeakPolarHBondContact OE2-CB 3.28Å; E61-M157 PolarHBondContact OE2-N 2.9Å
62Q87.8Confident95.4Very high132 Ų13244.8 Ų44.862%0.61723%0.229SC*.THydrogen-bonded Turntrans54.4-119.7-173.3-55.6178.8-7.200112.3K60K60-Q62 VanDerWaalsContact CE-O 3.31Å; K60-Q62 WeakPolarHBondContact CE-O 3.33Å
63E89.9Confident95.5Very high115 Ų11544.8 Ų44.854%0.53722%0.22SC..THydrogen-bonded Turntrans-85.4-7.9178.461.9-166.1144.700113.6E61 S83E61-E63 PolarHBondContact O-N 3.31Å; E63-S83 WeakPolarHBondContact O-CB 3.32Å; E63-S83 PolarHBondContact O-N 3.32Å; E63-S83 PolarHBondContact O-OG 3.48Å; E63-S83 VanDerWaalsContact O-OG 3.11Å
64Y94.3Very high95.5Very high56 Ų5641.8 Ų41.822%0.2221%0.209CC..EExtended strand (participates in β ladder)trans-96.6150.3-179.4-54.6-80.8000111.8Y4 F28 E61 A81Y4-Y64 AromaticContact CD2-CD1 3.88Å; Y4-Y64 HydrophobicContact CD2-CD1 3.88Å; Y4-Y64 HydrophobicContact CD2-CE1 4.02Å; Y4-Y64 AromaticContact CE2-CD1 3.53Å; Y4-Y64 HydrophobicContact CE2-CD1 3.53Å; Y4-Y64 AromaticContact CE2-CE1 3.47Å; Y4-Y64 HydrophobicContact CE2-CE1 3.47Å; Y4-Y64 VanDerWaalsContact CE2-CE1 3.47Å; Y4-Y64 AromaticContact CZ-CE1 3.79Å; F28-Y64 HydrophobicContact CZ-CE1 4.3Å; E61-Y64 PolarHBondContact N-O 2.7Å; E61-Y64 WeakPolarHBondContact O-CB 3.48Å; E61-Y64 PolarHBondContact O-N 3.47Å; Y64-A81 WeakPolarHBondContact CA-O 3.4Å
65L96.4Very high95.7Very high17 Ų1740 Ų409%0.08919%0.191CC..EExtended strand (participates in β ladder)trans-131.8123.3174.9-164.760.3000109.2K60 H67 A81K60-L65 HydrophobicContact CB-CD1 3.82Å; K60-L65 HydrophobicContact CG-CD1 4.39Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.35Å; L65-A81 PolarHBondContact N-O 3.36Å; L65-A81 PolarHBondContact O-N 2.96Å
66C97.8Very high95.8Very high4 Ų439.2 Ų39.23%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-103.8114.2178.8-53.60000108.7I47 S58 V59 V79 I80I47-C66 HydrophobicContact CD1-CB 3.37Å; S58-C66 CarbonylContact C-O 3.51Å; S58-C66 VanDerWaalsContact CA-O 3.3Å; S58-C66 WeakPolarHBondContact CA-O 3.46Å; V59-C66 HydrophobicContact CB-CB 4.3Å; V59-C66 PolarHBondContact N-O 3.44Å; V59-C66 PolarHBondContact O-N 2.95Å; C66-V79 CarbonylContact C-O 3.58Å; C66-V79 WeakPolarHBondContact CA-O 3.22Å; C66-I80 HydrophobicContact CB-CG1 4.32Å
67H97.8Very high95.9Very high0 Ų037.6 Ų37.60%018%0.179CC..EExtended strand (participates in β ladder)trans-98.4131174.8-56.1-71.8000109.6S58 L65 V78 V79 A90 F91 L94S58-H67 PolarHBondContact OG-ND1 3.17Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.35Å; H67-V78 CarbonylContact O-C 3.39Å; H67-V78 VanDerWaalsContact O-CA 3.32Å; H67-V78 WeakPolarHBondContact O-CA 3.38Å; H67-V79 HydrophobicContact CB-CG1 3.78Å; H67-V79 PolarHBondContact N-O 3.35Å; H67-V79 PolarHBondContact O-N 3.41Å; H67-A90 HydrophobicContact CB-CB 4.36Å; H67-A90 WeakPolarHBondContact CD2-CB 3.37Å; H67-F91 HydrophobicContact CB-CE1 4.36Å; H67-F91 HydrophobicContact CB-CE2 4.23Å; H67-F91 HydrophobicContact CB-CZ 4.01Å; H67-F91 AromaticContact ND1-CE2 3.72Å; H67-L94 HydrophobicContact CB-CD1 4.21Å
68V98.3Very high96Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-125.7137.9179.558.70000110.5I47 V48 R56 A57 V70 A77 V78 F91I47-V68 HydrophobicContact CG2-CB 3.62Å; I47-V68 HydrophobicContact CG2-CG1 3.41Å; I47-V68 VanDerWaalsContact CG2-CG1 3.41Å; I47-V68 HydrophobicContact CG2-CG2 4.03Å; V48-V68 HydrophobicContact CG2-CG2 4.05Å; R56-V68 WeakPolarHBondContact CA-O 3.31Å; A57-V68 HydrophobicContact CB-CG1 3.7Å; A57-V68 PolarHBondContact N-O 2.7Å; A57-V68 WeakPolarHBondContact O-CG1 3.36Å; A57-V68 PolarHBondContact O-N 3.42Å; V68-V70 HydrophobicContact CG2-CG2 3.89Å; V68-A77 WeakPolarHBondContact CA-O 3.42Å; V68-V78 HydrophobicContact CB-CG2 4.12Å; V68-V78 HydrophobicContact CG2-CG2 3.86Å; V68-F91 WeakPolarHBondContact O-CE1 3.5Å
69Y97.7Very high96.1Very high37 Ų3737.5 Ų37.515%0.14518%0.178CC..EExtended strand (participates in β ladder)trans-124.7120.4165177.1-153.2000109.4R56 R71 S76 A77 D95 L98R56-Y69 HydrophobicContact CG-CD2 3.5Å; R56-Y69 VanDerWaalsContact CG-CD2 3.5Å; R56-Y69 HydrophobicContact CG-CE2 4.15Å; R56-Y69 HydrophobicContact CG-CG 3.93Å; R56-Y69 VanDerWaalsContact NH2-CE1 3.27Å; R56-Y69 VanDerWaalsContact NH2-CZ 3.27Å; R56-Y69 PolarHBondContact NH2-OH 2.96Å; Y69-R71 HydrophobicContact CD1-CG 4.43Å; Y69-R71 HydrophobicContact CE1-CG 3.7Å; Y69-R71 HydrophobicContact CE2-CG 4.09Å; Y69-S76 CarbonylContact O-C 3.45Å; Y69-S76 WeakPolarHBondContact O-CA 3.3Å; Y69-S76 WeakPolarHBondContact O-CB 3.27Å; Y69-A77 PolarHBondContact N-O 2.79Å; Y69-A77 PolarHBondContact O-N 2.97Å; Y69-D95 WeakPolarHBondContact CD1-OD1 3.42Å; Y69-D95 WeakPolarHBondContact CE1-OD1 3.43Å; Y69-L98 HydrophobicContact CD1-CD1 3.35Å; Y69-L98 HydrophobicContact CE1-CD1 3.88Å; Y69-L98 HydrophobicContact CG-CD1 4.04Å
70V97.9Very high96.1Very high0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-108.1116.9171.7-174.20000108.5K11 A52 G54 S55 V68K11-V70 HydrophobicContact CB-CG1 4.41Å; K11-V70 HydrophobicContact CD-CG1 3.73Å; A52-V70 WeakPolarHBondContact O-CB 3.41Å; G54-V70 CarbonylContact C-O 3.52Å; G54-V70 WeakPolarHBondContact CA-O 3.41Å; G54-V70 PolarHBondContact N-O 3.21Å; S55-V70 PolarHBondContact N-O 2.96Å; S55-V70 VanDerWaalsContact N-O 3.15Å; S55-V70 PolarHBondContact O-N 2.83Å; V68-V70 HydrophobicContact CG2-CG2 3.89Å
71R97Very high96.3Very high51 Ų5133.3 Ų33.319%0.19216%0.16CC..  trans-75.7168.6176.3-70.4166.251.1151.22.3111.6Y69 D73 S74 L75 L98Y69-R71 HydrophobicContact CD1-CG 4.43Å; Y69-R71 HydrophobicContact CE1-CG 3.7Å; Y69-R71 HydrophobicContact CE2-CG 4.09Å; R71-D73 VanDerWaalsContact C-N 3.27Å; R71-D73 WeakPolarHBondContact CB-OD1 3.2Å; R71-D73 IonicContact CZ-OD1 3.71Å; R71-D73 IonicContact CZ-OD2 3.61Å; R71-D73 IonicContact NE-OD1 3.82Å; R71-D73 PolarHBondContact NE-OD1 2.97Å; R71-D73 IonicContact NE-OD2 2.76Å; R71-D73 PolarHBondContact NE-OD2 2.93Å; R71-D73 IonicContact NH2-OD1 2.97Å; R71-D73 IonicContact NH2-OD2 3.8Å; R71-D73 PolarHBondContact NH2-OD2 3.17Å; R71-D73 PolarHBondContact O-N 2.93Å; R71-S74 PolarHBondContact O-N 3.47Å; R71-L75 VanDerWaalsContact CB-O 3.29Å; R71-L75 WeakPolarHBondContact CB-O 3.49Å; R71-L75 PolarHBondContact N-O 2.84Å; R71-L98 HydrophobicContact CG-CD1 4.24Å; R71-L98 PolarHBondContact NH1-O 3.35Å
72N95.9Very high96.5Very high137 Ų13731.7 Ų31.773%0.73315%0.153SC*.THydrogen-bonded Turntrans-70.4-22.6176.7-71.1-38.9000113.3G54 S74G54-N72 WeakPolarHBondContact CA-OD1 3.44Å; G54-N72 PolarHBondContact N-OD1 2.83Å; N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 3.45Å
73D96.4Very high96.8Very high61 Ų6128.1 Ų28.133%0.32614%0.143SC..THydrogen-bonded Turntrans-90.821.3176.762.3-11.3000112.8R71 L75 W110R71-D73 VanDerWaalsContact C-N 3.27Å; R71-D73 WeakPolarHBondContact CB-OD1 3.2Å; R71-D73 IonicContact CZ-OD1 3.71Å; R71-D73 IonicContact CZ-OD2 3.61Å; R71-D73 IonicContact NE-OD1 3.82Å; R71-D73 PolarHBondContact NE-OD1 2.97Å; R71-D73 IonicContact NE-OD2 2.76Å; R71-D73 PolarHBondContact NE-OD2 2.93Å; R71-D73 IonicContact NH2-OD1 2.97Å; R71-D73 IonicContact NH2-OD2 3.8Å; R71-D73 PolarHBondContact NH2-OD2 3.17Å; R71-D73 PolarHBondContact O-N 2.93Å; D73-L75 PolarHBondContact O-N 2.94Å; D73-W110 HydrophobicContact CB-CZ3 4.41Å
74S97.1Very high96.9Very high26 Ų2629.1 Ų29.118%0.18215%0.148CC..SBendtrans64.13.2179.7-62.30000116.3K11 H53 R71 N72K11-S74 PolarHBondContact N-O 3.47Å; K11-S74 VanDerWaalsContact O-CB 3.31Å; K11-S74 WeakPolarHBondContact O-CB 3.23Å; K11-S74 PolarHBondContact O-OG 2.93Å; H53-S74 PolarHBondContact CE1-OG 2.98Å; R71-S74 PolarHBondContact O-N 3.47Å; N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 3.45Å
75L98.1Very high96.9Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-77.6134.7169.7-166.869000109.8V8 L19 R71 D73 L98 F101 W110V8-L75 HydrophobicContact CG1-CD1 3.94Å; L19-L75 HydrophobicContact CD1-CD1 3.89Å; R71-L75 VanDerWaalsContact CB-O 3.29Å; R71-L75 WeakPolarHBondContact CB-O 3.49Å; R71-L75 PolarHBondContact N-O 2.84Å; D73-L75 PolarHBondContact O-N 2.94Å; L75-L98 HydrophobicContact CB-CD2 4.41Å; L75-L98 HydrophobicContact CD2-CB 4.47Å; L75-L98 HydrophobicContact CD2-CD2 3.67Å; L75-L98 HydrophobicContact CG-CD2 3.56Å; L75-F101 HydrophobicContact CD1-CD1 3.91Å; L75-F101 HydrophobicContact CD1-CE1 3.86Å; L75-F101 HydrophobicContact CD2-CD1 3.99Å; L75-W110 HydrophobicContact CB-CE3 4.09Å; L75-W110 HydrophobicContact CB-CH2 4.14Å; L75-W110 HydrophobicContact CB-CZ3 3.76Å; L75-W110 HydrophobicContact CD1-CD2 3.88Å; L75-W110 HydrophobicContact CD1-CE3 4.05Å; L75-W110 HydrophobicContact CD1-CG 4.38Å; L75-W110 HydrophobicContact CD1-CZ2 4.39Å; L75-W110 HydrophobicContact CD1-CZ3 4.37Å; L75-W110 HydrophobicContact CD2-CH2 4.04Å; L75-W110 HydrophobicContact CD2-CZ2 4.08Å; L75-W110 HydrophobicContact CD2-CZ3 4.47Å; L75-W110 HydrophobicContact CG-CH2 4.45Å; L75-W110 HydrophobicContact CG-CZ3 4.41Å
76S98.3Very high96.7Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-139.6152.1-176.261.50000112.1V8 L9 V48 Y69V8-S76 CarbonylContact C-O 3.59Å; V8-S76 WeakPolarHBondContact CA-O 3.25Å; L9-S76 PolarHBondContact N-O 2.8Å; L9-S76 WeakPolarHBondContact O-CA 3.12Å; L9-S76 PolarHBondContact O-N 3.05Å; L9-S76 VanDerWaalsContact O-O 3.07Å; L9-S76 PolarHBondContact O-OG 3.11Å; V48-S76 WeakPolarHBondContact CG1-OG 3.44Å; Y69-S76 CarbonylContact O-C 3.45Å; Y69-S76 WeakPolarHBondContact O-CA 3.3Å; Y69-S76 WeakPolarHBondContact O-CB 3.27Å
77A98.4Very high96.3Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-136145.5172.800000110.5S7 V68 Y69 L94 L98S7-A77 CarbonylContact O-C 3.58Å; S7-A77 WeakPolarHBondContact O-CA 3.48Å; S7-A77 WeakPolarHBondContact O-CB 3.39Å; V68-A77 WeakPolarHBondContact CA-O 3.42Å; Y69-A77 PolarHBondContact N-O 2.79Å; Y69-A77 PolarHBondContact O-N 2.97Å; A77-L94 HydrophobicContact CB-CB 4.46Å; A77-L94 HydrophobicContact CB-CD2 3.7Å; A77-L98 HydrophobicContact CB-CD1 3.93Å; A77-L98 HydrophobicContact CB-CD2 3.76Å; A77-L98 HydrophobicContact CB-CG 3.72Å
78V98.6Very high95.9Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-127136.1177.3-175.80000108.8L6 S7 L9 V48 H67 V68 I80L6-V78 WeakPolarHBondContact CA-O 3.17Å; S7-V78 PolarHBondContact N-O 3.32Å; S7-V78 PolarHBondContact O-N 3.26Å; S7-V78 PolarHBondContact OG-O 2.67Å; L9-V78 HydrophobicContact CD1-CG2 4.12Å; V48-V78 HydrophobicContact CG2-CG2 3.56Å; H67-V78 CarbonylContact O-C 3.39Å; H67-V78 VanDerWaalsContact O-CA 3.32Å; H67-V78 WeakPolarHBondContact O-CA 3.38Å; V68-V78 HydrophobicContact CB-CG2 4.12Å; V68-V78 HydrophobicContact CG2-CG2 3.86Å; V78-I80 HydrophobicContact CG1-CG1 4.35Å
79V98.4Very high95.5Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-123.9131.4168.962.80000109.1L3 S5 L6 C66 H67 A90 L93 L94L3-V79 HydrophobicContact CD1-CG2 4.38Å; L3-V79 HydrophobicContact CD2-CG2 3.73Å; L3-V79 HydrophobicContact CG-CG2 4.48Å; S5-V79 VanDerWaalsContact O-CA 3.31Å; S5-V79 WeakPolarHBondContact O-CA 3.42Å; S5-V79 WeakPolarHBondContact O-CG2 3.48Å; L6-V79 HydrophobicContact CD1-CB 4.11Å; L6-V79 HydrophobicContact CD1-CG2 4.47Å; C66-V79 CarbonylContact C-O 3.58Å; C66-V79 WeakPolarHBondContact CA-O 3.22Å; H67-V79 HydrophobicContact CB-CG1 3.78Å; H67-V79 PolarHBondContact N-O 3.35Å; H67-V79 PolarHBondContact O-N 3.41Å; V79-A90 HydrophobicContact CG1-CB 3.88Å; V79-L93 HydrophobicContact CG2-CD2 4.26Å; V79-L94 HydrophobicContact CB-CD2 3.91Å; V79-L94 HydrophobicContact CG1-CD1 4.2Å; V79-L94 HydrophobicContact CG1-CD2 3.8Å; V79-L94 HydrophobicContact CG1-CG 4.03Å
80I98.3Very high95.4Very high7 Ų735.9 Ų35.94%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-108.1126.3176.3-56.8-178.3000107.5Y4 S5 M40 T43 C66 V78Y4-I80 HydrophobicContact CD2-CG2 4.44Å; Y4-I80 PolarHBondContact N-O 2.88Å; S5-I80 PolarHBondContact N-O 2.82Å; S5-I80 PolarHBondContact O-N 3.49Å; S5-I80 WeakPolarHBondContact OG-CB 3.44Å; S5-I80 WeakPolarHBondContact OG-CD1 3.23Å; S5-I80 VanDerWaalsContact OG-CG1 3.31Å; S5-I80 WeakPolarHBondContact OG-CG1 3.43Å; M40-I80 HydrophobicContact CB-CD1 3.88Å; M40-I80 HydrophobicContact CG-CD1 3.91Å; T43-I80 HydrophobicContact CG2-CD1 4.3Å; C66-I80 HydrophobicContact CB-CG1 4.32Å; V78-I80 HydrophobicContact CG1-CG1 4.35Å
81A97.3Very high95.2Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-138.7169.6-174.300000111.4K2 L3 Y64 L65 Y85K2-A81 VanDerWaalsContact O-CA 3.29Å; K2-A81 WeakPolarHBondContact O-CA 3.45Å; L3-A81 HydrophobicContact CD2-CB 3.53Å; Y64-A81 WeakPolarHBondContact CA-O 3.4Å; L65-A81 PolarHBondContact N-O 3.36Å; L65-A81 PolarHBondContact O-N 2.96Å; A81-Y85 HydrophobicContact CB-CD1 4.41Å; A81-Y85 HydrophobicContact CB-CG 4.06Å
82D95.3Very high94.9Very high22 Ų2233.9 Ų33.912%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-61.3148.1160-67.5-34.6000110.3M1 K2 Y4 E84 Y85M1-D82 VanDerWaalsContact C-OD2 3.29Å; M1-D82 VanDerWaalsContact CA-OD2 3.26Å; M1-D82 WeakPolarHBondContact CA-OD2 3.44Å; M1-D82 PolarHBondContact N-OD2 3.45Å; K2-D82 PolarHBondContact N-OD2 2.89Å; K2-D82 PolarHBondContact O-N 3.11Å; Y4-D82 WeakPolarHBondContact CE2-OD1 3.39Å; Y4-D82 VanDerWaalsContact CZ-OD1 3.23Å; Y4-D82 PolarHBondContact OH-OD1 3.3Å; D82-E84 PolarHBondContact O-N 2.9Å; D82-E84 VanDerWaalsContact O-N 3.11Å; D82-Y85 VanDerWaalsContact O-CB 3.28Å; D82-Y85 WeakPolarHBondContact O-CB 3.42Å; D82-Y85 PolarHBondContact O-N 2.97Å
83S92.9Very high94.8Very high58 Ų5827.3 Ų27.341%0.40614%0.14SC..THydrogen-bonded Turntrans-58.9-21.5173.555.90000114.7E63 Y85E63-S83 WeakPolarHBondContact O-CB 3.32Å; E63-S83 PolarHBondContact O-N 3.32Å; E63-S83 PolarHBondContact O-OG 3.48Å; E63-S83 VanDerWaalsContact O-OG 3.11Å; S83-Y85 VanDerWaalsContact C-N 3.33Å
84E92.3Very high94.8Very high136 Ų13624.4 Ų24.464%0.63613%0.125SC*.THydrogen-bonded Turntrans-76.6-18.9174.3-58.3179.3136.700113.2M1 D82M1-E84 VanDerWaalsContact CE-O 3.28Å; M1-E84 WeakPolarHBondContact CE-O 3.44Å; M1-E84 HydrophobicContact CG-CB 3.56Å; M1-E84 PolarHBondContact N-OE2 3.29Å; M1-E84 VanDerWaalsContact N-OE2 3.11Å; D82-E84 PolarHBondContact O-N 2.9Å; D82-E84 VanDerWaalsContact O-N 3.11Å
85Y94.3Very high94.6Very high3 Ų324.4 Ų24.41%0.01212%0.123CC..SBendtrans-65.9135.4-177.5-168.3-83.7000110.1L3 A81 D82 S83 Q87 V89 A90 Y130 P133L3-Y85 HydrophobicContact CD1-CE2 4.12Å; L3-Y85 HydrophobicContact CD2-CD1 3.79Å; L3-Y85 HydrophobicContact CD2-CD2 3.67Å; L3-Y85 HydrophobicContact CD2-CE1 3.7Å; L3-Y85 HydrophobicContact CD2-CE2 3.56Å; L3-Y85 HydrophobicContact CD2-CG 3.79Å; L3-Y85 HydrophobicContact CG-CD2 4.04Å; L3-Y85 HydrophobicContact CG-CE1 4.41Å; L3-Y85 HydrophobicContact CG-CE2 3.57Å; A81-Y85 HydrophobicContact CB-CD1 4.41Å; A81-Y85 HydrophobicContact CB-CG 4.06Å; D82-Y85 VanDerWaalsContact O-CB 3.28Å; D82-Y85 WeakPolarHBondContact O-CB 3.42Å; D82-Y85 PolarHBondContact O-N 2.97Å; S83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-Q87 PolarHBondContact O-N 2.98Å; Y85-V89 HydrophobicContact CE1-CB 4.03Å; Y85-V89 HydrophobicContact CE1-CG1 4.03Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.21Å; Y85-A90 HydrophobicContact CD1-CB 4.13Å; Y85-A90 HydrophobicContact CE1-CB 4.09Å; Y85-Y130 WeakPolarHBondContact CE2-O 3.46Å; Y85-Y130 PolarHBondContact OH-O 3.37Å; Y85-P133 HydrophobicContact CD2-CG 4.29Å; Y85-P133 HydrophobicContact CE2-CG 3.74Å
86P92.3Very high94.3Very high46 Ų4627 Ų2730%0.29913%0.134SC..  trans-69.6116-170.3-16.632.9000110.3M1 R88 V89 A90 P133M1-P86 VanDerWaalsContact CE-CD 3.45Å; M1-P86 HydrophobicContact CE-CG 3.71Å; P86-R88 PolarHBondContact O-N 3.08Å; P86-R88 VanDerWaalsContact O-N 3.1Å; P86-V89 HydrophobicContact CB-CB 4.34Å; P86-V89 HydrophobicContact CB-CG2 4.02Å; P86-V89 HydrophobicContact CG-CG2 4.39Å; P86-V89 PolarHBondContact O-N 2.77Å; P86-A90 PolarHBondContact O-N 2.53Å; P86-A90 VanDerWaalsContact O-N 3.11Å; P86-P133 HydrophobicContact CG-CB 4.17Å; P86-P133 HydrophobicContact CG-CG 4.28Å
87Q90.9Very high94.2Very high72 Ų7227 Ų2734%0.33613%0.134SC..Hα-helixtrans-49.2-42-178.8175.5175.5-5900112.8Y85 V89 A90 F91 I151Y85-Q87 PolarHBondContact O-N 2.98Å; Q87-V89 VanDerWaalsContact C-N 3.35Å; Q87-V89 PolarHBondContact O-N 3.22Å; Q87-A90 WeakPolarHBondContact O-CB 3.48Å; Q87-A90 PolarHBondContact O-N 3.38Å; Q87-F91 HydrophobicContact CG-CD2 3.67Å; Q87-F91 HydrophobicContact CG-CE2 3.58Å; Q87-F91 VanDerWaalsContact O-CD2 3.31Å; Q87-F91 WeakPolarHBondContact O-CD2 3.45Å; Q87-F91 PolarHBondContact O-N 3.08Å; Q87-I151 HydrophobicContact CG-CD1 4.45Å
88R87.9Confident94.1Very high119 Ų11927 Ų2745%0.44913%0.134SC..Hα-helixtrans-57.7-44177.7175-177.5-82.9-165.8-4112.8P86 A90 T92 Q143 L146 D147P86-R88 PolarHBondContact O-N 3.08Å; P86-R88 VanDerWaalsContact O-N 3.1Å; R88-A90 VanDerWaalsContact C-N 3.35Å; R88-T92 WeakPolarHBondContact O-CB 3.41Å; R88-T92 PolarHBondContact O-N 3.27Å; R88-T92 PolarHBondContact O-OG1 3.29Å; R88-Q143 VanDerWaalsContact CD-OE1 3.29Å; R88-L146 WeakPolarHBondContact O-CD1 3.41Å; R88-D147 IonicContact CZ-OD1 2.77Å; R88-D147 IonicContact NE-OD1 3.33Å; R88-D147 IonicContact NH2-OD1 3.87Å; R88-D147 PolarHBondContact NH2-OD1 3.5Å; R88-D147 IonicContact NH2-OD2 3.94Å; R88-D147 PolarHBondContact NH2-OD2 2.94Å
89V91.1Very high93.9Very high15 Ų1531.6 Ų31.69%0.09116%0.155CC..Hα-helixtrans-70-37.2178.7179.80000110.2Y85 P86 Q87 T92 L93 Y130 P133 A136Y85-V89 HydrophobicContact CE1-CB 4.03Å; Y85-V89 HydrophobicContact CE1-CG1 4.03Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.21Å; P86-V89 HydrophobicContact CB-CB 4.34Å; P86-V89 HydrophobicContact CB-CG2 4.02Å; P86-V89 HydrophobicContact CG-CG2 4.39Å; P86-V89 PolarHBondContact O-N 2.77Å; Q87-V89 VanDerWaalsContact C-N 3.35Å; Q87-V89 PolarHBondContact O-N 3.22Å; V89-T92 WeakPolarHBondContact O-CB 3.36Å; V89-T92 PolarHBondContact O-N 3.42Å; V89-L93 PolarHBondContact O-N 3.02Å; V89-Y130 HydrophobicContact CG1-CD1 3.94Å; V89-Y130 HydrophobicContact CG1-CE1 4.34Å; V89-P133 HydrophobicContact CG1-CB 4.27Å; V89-P133 HydrophobicContact CG2-CB 4.27Å; V89-A136 HydrophobicContact CG1-CB 3.66Å
90A94Very high93.8Very high0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-61-48.4175.300000111.9H67 V79 Y85 P86 Q87 R88 T92 L93 L94H67-A90 HydrophobicContact CB-CB 4.36Å; H67-A90 WeakPolarHBondContact CD2-CB 3.37Å; V79-A90 HydrophobicContact CG1-CB 3.88Å; Y85-A90 HydrophobicContact CD1-CB 4.13Å; Y85-A90 HydrophobicContact CE1-CB 4.09Å; P86-A90 PolarHBondContact O-N 2.53Å; P86-A90 VanDerWaalsContact O-N 3.11Å; Q87-A90 WeakPolarHBondContact O-CB 3.48Å; Q87-A90 PolarHBondContact O-N 3.38Å; R88-A90 VanDerWaalsContact C-N 3.35Å; A90-T92 PolarHBondContact O-N 3.1Å; A90-L93 WeakPolarHBondContact O-CB 3.43Å; A90-L93 PolarHBondContact O-N 3.22Å; A90-L94 WeakPolarHBondContact O-CG 3.44Å; A90-L94 PolarHBondContact O-N 3.47Å
91F93.8Very high93.7Very high1 Ų133.8 Ų33.80%0.00417%0.165CC..Hα-helixtrans-66.7-36.3176.6-78.6-70.4000113.1R56 H67 V68 Q87 L93 L94 D95 L146 I151R56-F91 HydrophobicContact CB-CD1 4.33Å; R56-F91 HydrophobicContact CB-CE1 3.68Å; R56-F91 HydrophobicContact CB-CZ 4.14Å; R56-F91 HydrophobicContact CG-CD1 4.14Å; R56-F91 HydrophobicContact CG-CE1 3.92Å; H67-F91 HydrophobicContact CB-CE1 4.36Å; H67-F91 HydrophobicContact CB-CE2 4.23Å; H67-F91 HydrophobicContact CB-CZ 4.01Å; H67-F91 AromaticContact ND1-CE2 3.72Å; V68-F91 WeakPolarHBondContact O-CE1 3.5Å; Q87-F91 HydrophobicContact CG-CD2 3.67Å; Q87-F91 HydrophobicContact CG-CE2 3.58Å; Q87-F91 VanDerWaalsContact O-CD2 3.31Å; Q87-F91 WeakPolarHBondContact O-CD2 3.45Å; Q87-F91 PolarHBondContact O-N 3.08Å; F91-L93 VanDerWaalsContact C-N 3.25Å; F91-L93 PolarHBondContact O-N 3.32Å; F91-L94 HydrophobicContact CD1-CD1 3.91Å; F91-L94 HydrophobicContact CE1-CD1 4.12Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-L94 VanDerWaalsContact O-N 3.12Å; F91-D95 PolarHBondContact O-N 3.48Å; F91-L146 HydrophobicContact CB-CD1 4Å; F91-L146 HydrophobicContact CB-CD2 3.72Å; F91-I151 HydrophobicContact CD2-CD1 3.69Å; F91-I151 HydrophobicContact CD2-CG1 4.49Å; F91-I151 HydrophobicContact CE2-CD1 3.59Å; F91-I151 HydrophobicContact CE2-CG1 4.06Å; F91-I151 HydrophobicContact CE2-CG2 3.8Å; F91-I151 HydrophobicContact CG-CD1 4.48Å; F91-I151 HydrophobicContact CZ-CD1 4.29Å; F91-I151 HydrophobicContact CZ-CG1 4.29Å; F91-I151 HydrophobicContact CZ-CG2 3.81Å
92T91.3Very high93.7Very high8 Ų835.7 Ų35.75%0.04918%0.178CC..Hα-helixtrans-58.4-40.4173-58.70000111.5R88 V89 A90 K96 M139 V142 L146R88-T92 WeakPolarHBondContact O-CB 3.41Å; R88-T92 PolarHBondContact O-N 3.27Å; R88-T92 PolarHBondContact O-OG1 3.29Å; V89-T92 WeakPolarHBondContact O-CB 3.36Å; V89-T92 PolarHBondContact O-N 3.42Å; A90-T92 PolarHBondContact O-N 3.1Å; T92-K96 WeakPolarHBondContact O-CB 3.38Å; T92-K96 PolarHBondContact O-N 3.32Å; T92-M139 HydrophobicContact CG2-CE 3.61Å; T92-M139 HydrophobicContact CG2-SD 4.48Å; T92-V142 HydrophobicContact CG2-CB 4.4Å; T92-V142 HydrophobicContact CG2-CG1 3.99Å; T92-L146 VanDerWaalsContact OG1-CD1 3.23Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.43Å
93L93.7Very high93.7Very high0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-63.3-47.1173.717062.3000111.5L3 L6 V79 V89 A90 F91 D95 K96 V97 H126 Y130L3-L93 HydrophobicContact CD1-CD2 3.76Å; L6-L93 HydrophobicContact CD1-CD2 4.2Å; L6-L93 HydrophobicContact CD1-CG 4.27Å; L6-L93 HydrophobicContact CD2-CD1 4.16Å; L6-L93 HydrophobicContact CD2-CD2 4.32Å; L6-L93 HydrophobicContact CD2-CG 4.43Å; V79-L93 HydrophobicContact CG2-CD2 4.26Å; V89-L93 PolarHBondContact O-N 3.02Å; A90-L93 WeakPolarHBondContact O-CB 3.43Å; A90-L93 PolarHBondContact O-N 3.22Å; F91-L93 VanDerWaalsContact C-N 3.25Å; F91-L93 PolarHBondContact O-N 3.32Å; L93-D95 PolarHBondContact O-N 3.37Å; L93-K96 PolarHBondContact O-N 3.27Å; L93-V97 HydrophobicContact CD1-CG2 3.7Å; L93-V97 HydrophobicContact CG-CG2 4.38Å; L93-V97 WeakPolarHBondContact O-CB 3.47Å; L93-V97 VanDerWaalsContact O-CG2 3.23Å; L93-V97 WeakPolarHBondContact O-CG2 3.41Å; L93-V97 PolarHBondContact O-N 3.29Å; L93-H126 HydrophobicContact CD1-CB 3.92Å; L93-Y130 HydrophobicContact CB-CD1 3.72Å; L93-Y130 HydrophobicContact CB-CE1 3.8Å; L93-Y130 HydrophobicContact CB-CG 4.26Å; L93-Y130 HydrophobicContact CD1-CD1 4.09Å; L93-Y130 HydrophobicContact CD1-CD2 3.72Å; L93-Y130 HydrophobicContact CD1-CE1 4.27Å; L93-Y130 HydrophobicContact CD1-CE2 3.91Å; L93-Y130 HydrophobicContact CD1-CG 3.81Å; L93-Y130 HydrophobicContact CD2-CD1 4.31Å; L93-Y130 HydrophobicContact CD2-CG 4.15Å; L93-Y130 HydrophobicContact CG-CD1 4.26Å; L93-Y130 HydrophobicContact CG-CG 4.29Å
94L95.9Very high93.8Very high0 Ų045.8 Ų45.80%021%0.211CC..Hα-helixtrans-59.5-46.7179.3-62.6-179.7000111.7L6 H67 A77 V79 A90 F91 K96 V97 L98L6-L94 HydrophobicContact CD1-CD2 4.03Å; H67-L94 HydrophobicContact CB-CD1 4.21Å; A77-L94 HydrophobicContact CB-CB 4.46Å; A77-L94 HydrophobicContact CB-CD2 3.7Å; V79-L94 HydrophobicContact CB-CD2 3.91Å; V79-L94 HydrophobicContact CG1-CD1 4.2Å; V79-L94 HydrophobicContact CG1-CD2 3.8Å; V79-L94 HydrophobicContact CG1-CG 4.03Å; A90-L94 WeakPolarHBondContact O-CG 3.44Å; A90-L94 PolarHBondContact O-N 3.47Å; F91-L94 HydrophobicContact CD1-CD1 3.91Å; F91-L94 HydrophobicContact CE1-CD1 4.12Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-L94 VanDerWaalsContact O-N 3.12Å; L94-K96 PolarHBondContact O-N 3.12Å; L94-V97 PolarHBondContact O-N 3.35Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 WeakPolarHBondContact O-CD1 3.11Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.48Å
95D93.1Very high94Very high26 Ų2639.8 Ų39.814%0.13918%0.183CC..Hα-helixtrans-59-48.2178.8-71.9-39.2000111.3R56 Y69 F91 L93 V97 L98 E99R56-D95 IonicContact CZ-OD1 3.59Å; R56-D95 IonicContact NE-OD1 3.77Å; R56-D95 IonicContact NH2-OD1 3.33Å; R56-D95 PolarHBondContact NH2-OD1 2.99Å; R56-D95 IonicContact NH2-OD2 2.64Å; Y69-D95 WeakPolarHBondContact CD1-OD1 3.42Å; Y69-D95 WeakPolarHBondContact CE1-OD1 3.43Å; F91-D95 PolarHBondContact O-N 3.48Å; L93-D95 PolarHBondContact O-N 3.37Å; D95-V97 PolarHBondContact O-N 3Å; D95-L98 PolarHBondContact O-N 2.79Å; D95-E99 WeakPolarHBondContact O-CB 3.37Å; D95-E99 PolarHBondContact O-N 3.36Å
96K92.5Very high94.1Very high53 Ų5346.3 Ų46.323%0.2321%0.214CC..Hα-helixtrans-60.9-46.8179.5-177.3175.3-170.5153.70112.6T92 L93 L94 L98 E99 E100 Y130 M139T92-K96 WeakPolarHBondContact O-CB 3.38Å; T92-K96 PolarHBondContact O-N 3.32Å; L93-K96 PolarHBondContact O-N 3.27Å; L94-K96 PolarHBondContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.35Å; K96-E99 PolarHBondContact O-N 3.47Å; K96-E100 WeakPolarHBondContact O-CB 3.16Å; K96-E100 PolarHBondContact O-N 3.35Å; K96-Y130 WeakPolarHBondContact CD-OH 3.34Å; K96-M139 HydrophobicContact CD-SD 3.98Å
97V95.8Very high94.2Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-63.4-44-179.7167.80000110.2L6 V8 L93 L94 D95 E100 F101 L123 H126L6-V97 HydrophobicContact CD2-CG2 3.99Å; V8-V97 HydrophobicContact CG2-CG1 3.6Å; L93-V97 HydrophobicContact CD1-CG2 3.7Å; L93-V97 HydrophobicContact CG-CG2 4.38Å; L93-V97 WeakPolarHBondContact O-CB 3.47Å; L93-V97 VanDerWaalsContact O-CG2 3.23Å; L93-V97 WeakPolarHBondContact O-CG2 3.41Å; L93-V97 PolarHBondContact O-N 3.29Å; L94-V97 PolarHBondContact O-N 3.35Å; D95-V97 PolarHBondContact O-N 3Å; V97-E100 PolarHBondContact O-N 3.22Å; V97-F101 WeakPolarHBondContact O-CB 3.21Å; V97-F101 PolarHBondContact O-N 3.04Å; V97-L123 HydrophobicContact CG1-CD1 3.48Å; V97-L123 VanDerWaalsContact CG1-CD1 3.48Å; V97-L123 HydrophobicContact CG2-CD1 4.39Å; V97-H126 HydrophobicContact CG2-CB 4.18Å
98L96.8Very high94.4Very high1 Ų150.3 Ų50.31%0.00524%0.24CC..Hα-helixtrans-66.3-41179.1-71.9168.7000112.4V8 Y69 R71 L75 A77 L94 D95 K96 S102V8-L98 HydrophobicContact CG1-CD2 4.46Å; Y69-L98 HydrophobicContact CD1-CD1 3.35Å; Y69-L98 HydrophobicContact CE1-CD1 3.88Å; Y69-L98 HydrophobicContact CG-CD1 4.04Å; R71-L98 HydrophobicContact CG-CD1 4.24Å; R71-L98 PolarHBondContact NH1-O 3.35Å; L75-L98 HydrophobicContact CB-CD2 4.41Å; L75-L98 HydrophobicContact CD2-CB 4.47Å; L75-L98 HydrophobicContact CD2-CD2 3.67Å; L75-L98 HydrophobicContact CG-CD2 3.56Å; A77-L98 HydrophobicContact CB-CD1 3.93Å; A77-L98 HydrophobicContact CB-CD2 3.76Å; A77-L98 HydrophobicContact CB-CG 3.72Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 WeakPolarHBondContact O-CD1 3.11Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.48Å; D95-L98 PolarHBondContact O-N 2.79Å; K96-L98 VanDerWaalsContact C-N 3.35Å; L98-S102 WeakPolarHBondContact O-CB 3.28Å; L98-S102 PolarHBondContact O-N 2.9Å; L98-S102 VanDerWaalsContact O-N 3.08Å; L98-S102 PolarHBondContact O-OG 3.07Å; L98-S102 VanDerWaalsContact O-OG 3.07Å
99E94.5Very high94.8Very high97 Ų9748.2 Ų48.245%0.45324%0.237SC..Hα-helixtrans-61.3-51.8175.2-171.8-172.4165.600110.6D95 K96 S102 R103D95-E99 WeakPolarHBondContact O-CB 3.37Å; D95-E99 PolarHBondContact O-N 3.36Å; K96-E99 PolarHBondContact O-N 3.47Å; E99-S102 PolarHBondContact O-N 2.97Å; E99-S102 PolarHBondContact O-OG 3.18Å; E99-R103 WeakPolarHBondContact O-CG 3.01Å; E99-R103 PolarHBondContact O-N 3.03Å; E99-R103 IonicContact OE1-CZ 3.98Å; E99-R103 IonicContact OE1-NE 3.97Å; E99-R103 IonicContact OE1-NH2 3.27Å; E99-R103 PolarHBondContact OE1-NH2 3.27Å
100E95.3Very high95Very high53 Ų5348 Ų4825%0.24824%0.235CC..Hα-helixtrans-65.7-41.7-178.3-170.3-177.9156.600112.3K96 V97 S102 R103 Q104 Y120 A122 H126K96-E100 WeakPolarHBondContact O-CB 3.16Å; K96-E100 PolarHBondContact O-N 3.35Å; V97-E100 PolarHBondContact O-N 3.22Å; E100-S102 PolarHBondContact O-N 3.18Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-Q104 PolarHBondContact O-N 2.94Å; E100-Q104 PolarHBondContact OE1-NE2 2.88Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.09Å; E100-Y120 HydrophobicContact CG-CE2 4.32Å; E100-A122 WeakPolarHBondContact OE1-CB 3.43Å; E100-H126 IonicContact OE1-NE2 3.6Å; E100-H126 IonicContact OE2-CD2 2.88Å; E100-H126 IonicContact OE2-CE1 3.49Å; E100-H126 PolarHBondContact OE2-CE1 3.49Å; E100-H126 VanDerWaalsContact OE2-CE1 3.27Å; E100-H126 IonicContact OE2-NE2 2.71Å; E100-H126 PolarHBondContact OE2-NE2 3.41Å
101F97.5Very high95.1Very high0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-58.9-47.8176.7-175.6-88.2000111V8 L19 L75 V97 R103 Q104 V105 W110 I118 Y120V8-F101 HydrophobicContact CB-CD2 4.48Å; V8-F101 HydrophobicContact CG1-CD1 4.04Å; V8-F101 HydrophobicContact CG1-CD2 4.12Å; V8-F101 HydrophobicContact CG1-CE1 4.1Å; V8-F101 HydrophobicContact CG1-CE2 4.18Å; V8-F101 HydrophobicContact CG1-CG 4.06Å; V8-F101 HydrophobicContact CG1-CZ 4.17Å; V8-F101 HydrophobicContact CG2-CD2 4.39Å; L19-F101 HydrophobicContact CB-CE2 4.45Å; L19-F101 HydrophobicContact CB-CZ 3.9Å; L19-F101 HydrophobicContact CD1-CE1 3.63Å; L19-F101 HydrophobicContact CD1-CZ 3.6Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; L75-F101 HydrophobicContact CD1-CD1 3.91Å; L75-F101 HydrophobicContact CD1-CE1 3.86Å; L75-F101 HydrophobicContact CD2-CD1 3.99Å; V97-F101 WeakPolarHBondContact O-CB 3.21Å; V97-F101 PolarHBondContact O-N 3.04Å; F101-R103 PolarHBondContact O-N 2.73Å; F101-R103 VanDerWaalsContact O-N 3.15Å; F101-Q104 PolarHBondContact O-N 3.13Å; F101-V105 HydrophobicContact CD1-CB 4.26Å; F101-V105 HydrophobicContact CD2-CG2 4.27Å; F101-V105 HydrophobicContact CE1-CB 3.81Å; F101-V105 HydrophobicContact CE1-CG1 4.01Å; F101-V105 HydrophobicContact CE1-CG2 4.2Å; F101-V105 HydrophobicContact CE2-CB 4.39Å; F101-V105 HydrophobicContact CE2-CG2 3.86Å; F101-V105 HydrophobicContact CZ-CB 3.87Å; F101-V105 HydrophobicContact CZ-CG1 3.92Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 PolarHBondContact O-N 2.87Å; F101-W110 AromaticContact CE1-CD1 3.96Å; F101-W110 AromaticContact CE1-NE1 3.68Å; F101-I118 HydrophobicContact CE2-CG2 3.66Å; F101-I118 HydrophobicContact CZ-CG2 3.75Å; F101-Y120 HydrophobicContact CB-CE2 4.34Å; F101-Y120 AromaticContact CD2-CD1 3.82Å; F101-Y120 HydrophobicContact CD2-CD1 3.82Å; F101-Y120 AromaticContact CD2-CD2 3.94Å; F101-Y120 HydrophobicContact CD2-CD2 3.94Å; F101-Y120 HydrophobicContact CD2-CE1 4.22Å; F101-Y120 HydrophobicContact CD2-CE2 4.34Å; F101-Y120 AromaticContact CD2-CG 3.65Å; F101-Y120 HydrophobicContact CD2-CG 3.65Å; F101-Y120 HydrophobicContact CE2-CD1 4.35Å; F101-Y120 HydrophobicContact CE2-CG 4.08Å
102S96.3Very high95.1Very high39 Ų3955.7 Ų55.727%0.27329%0.287SS..Hα-helixtrans-65.3-17-179.966.10000114.4L98 E99 E100L98-S102 WeakPolarHBondContact O-CB 3.28Å; L98-S102 PolarHBondContact O-N 2.9Å; L98-S102 VanDerWaalsContact O-N 3.08Å; L98-S102 PolarHBondContact O-OG 3.07Å; L98-S102 VanDerWaalsContact O-OG 3.07Å; E99-S102 PolarHBondContact O-N 2.97Å; E99-S102 PolarHBondContact O-OG 3.18Å; E100-S102 PolarHBondContact O-N 3.18Å
103R96.1Very high95.2Very high188 Ų18855.7 Ų55.771%0.70929%0.289SS*.Hα-helixtrans-85.4-23.1173-68.3176.1-176.3-144.81113.4E99 E100 F101E99-R103 WeakPolarHBondContact O-CG 3.01Å; E99-R103 PolarHBondContact O-N 3.03Å; E99-R103 IonicContact OE1-CZ 3.98Å; E99-R103 IonicContact OE1-NE 3.97Å; E99-R103 IonicContact OE1-NH2 3.27Å; E99-R103 PolarHBondContact OE1-NH2 3.27Å; E100-R103 PolarHBondContact O-N 3.21Å; F101-R103 PolarHBondContact O-N 2.73Å; F101-R103 VanDerWaalsContact O-N 3.15Å
104Q95.5Very high95.2Very high105 Ų10558.4 Ų58.449%0.49130%0.303SS..Hα-helixtrans-102.7-28-175.9-66.9-177.328.100112.8E100 F101 Y120E100-Q104 PolarHBondContact O-N 2.94Å; E100-Q104 PolarHBondContact OE1-NE2 2.88Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.09Å; F101-Q104 PolarHBondContact O-N 3.13Å; Q104-Y120 HydrophobicContact CB-CD2 4.41Å
105V96Very high95.1Very high10 Ų1060.5 Ų60.56%0.06132%0.317CS..SBendtrans-122.7118.3-176.6-176.50000108.7F101 D109 W110 I118F101-V105 HydrophobicContact CD1-CB 4.26Å; F101-V105 HydrophobicContact CD2-CG2 4.27Å; F101-V105 HydrophobicContact CE1-CB 3.81Å; F101-V105 HydrophobicContact CE1-CG1 4.01Å; F101-V105 HydrophobicContact CE1-CG2 4.2Å; F101-V105 HydrophobicContact CE2-CB 4.39Å; F101-V105 HydrophobicContact CE2-CG2 3.86Å; F101-V105 HydrophobicContact CZ-CB 3.87Å; F101-V105 HydrophobicContact CZ-CG1 3.92Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 PolarHBondContact O-N 2.87Å; V105-D109 HydrophobicContact CG1-CB 4.36Å; V105-W110 PolarHBondContact O-NE1 3.43Å; V105-I118 HydrophobicContact CG1-CD1 3.86Å; V105-I118 HydrophobicContact CG1-CG2 4.43Å; V105-I118 HydrophobicContact CG2-CG2 4.01Å
106E95.6Very high95.1Very high139 Ų13966.8 Ų66.865%0.6535%0.351SS*.  trans-67.1146.8-177.7-64.5-169.2177.400112I108 D109 W110E106-I108 HydrophobicContact CB-CG2 4.01Å; E106-I108 PolarHBondContact O-N 3.4Å; E106-I108 VanDerWaalsContact O-N 3.13Å; E106-D109 PolarHBondContact O-N 2.93Å; E106-W110 PolarHBondContact O-NE1 3.45Å; E106-W110 VanDerWaalsContact O-NE1 3.1Å
107S95.1Very high95.2Very high79 Ų7968.6 Ų68.655%0.55237%0.366SS*.THydrogen-bonded Turntrans-64-19.9-176.760.30000114.6D109 W110S107-D109 VanDerWaalsContact C-N 3.26Å; S107-D109 PolarHBondContact O-N 2.97Å; S107-W110 VanDerWaalsContact CA-CE2 3.4Å
108I95.6Very high95.1Very high123 Ų12369 Ų6963%0.63137%0.368SS*.THydrogen-bonded Turntrans-68.7-26.3175.7-165.9163.9000112.6E106 P111E106-I108 HydrophobicContact CB-CG2 4.01Å; E106-I108 PolarHBondContact O-N 3.4Å; E106-I108 VanDerWaalsContact O-N 3.13Å; I108-P111 WeakPolarHBondContact O-CD 3.18Å
109D95.2Very high94.9Very high75 Ų7574.6 Ų74.640%0.40140%0.398SS..THydrogen-bonded Turntrans-87-16.4-177.6-63.4-37.1000112.6V105 E106 S107 G113 I118V105-D109 HydrophobicContact CG1-CB 4.36Å; E106-D109 PolarHBondContact O-N 2.93Å; S107-D109 VanDerWaalsContact C-N 3.26Å; S107-D109 PolarHBondContact O-N 2.97Å; D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.41Å; D109-G113 PolarHBondContact O-N 2.82Å; D109-I118 HydrophobicContact CB-CD1 4.38Å
110W95.6Very high94.9Very high12 Ų1270 Ų705%0.04538%0.376CS..THydrogen-bonded Turntrans-64.6-41.3-175.1-53.8-10.8000113.7H10 L19 D73 L75 F101 V105 E106 S107 S112 G113H10-W110 HydrophobicContact CB-CB 4.06Å; L19-W110 HydrophobicContact CD1-CB 4.09Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; L19-W110 WeakPolarHBondContact CD2-O 3.34Å; D73-W110 HydrophobicContact CB-CZ3 4.41Å; L75-W110 HydrophobicContact CB-CE3 4.09Å; L75-W110 HydrophobicContact CB-CH2 4.14Å; L75-W110 HydrophobicContact CB-CZ3 3.76Å; L75-W110 HydrophobicContact CD1-CD2 3.88Å; L75-W110 HydrophobicContact CD1-CE3 4.05Å; L75-W110 HydrophobicContact CD1-CG 4.38Å; L75-W110 HydrophobicContact CD1-CZ2 4.39Å; L75-W110 HydrophobicContact CD1-CZ3 4.37Å; L75-W110 HydrophobicContact CD2-CH2 4.04Å; L75-W110 HydrophobicContact CD2-CZ2 4.08Å; L75-W110 HydrophobicContact CD2-CZ3 4.47Å; L75-W110 HydrophobicContact CG-CH2 4.45Å; L75-W110 HydrophobicContact CG-CZ3 4.41Å; F101-W110 AromaticContact CE1-CD1 3.96Å; F101-W110 AromaticContact CE1-NE1 3.68Å; V105-W110 PolarHBondContact O-NE1 3.43Å; E106-W110 PolarHBondContact O-NE1 3.45Å; E106-W110 VanDerWaalsContact O-NE1 3.1Å; S107-W110 VanDerWaalsContact CA-CE2 3.4Å; W110-S112 VanDerWaalsContact C-N 3.31Å; W110-S112 PolarHBondContact O-N 3.4Å; W110-G113 PolarHBondContact O-N 3.46Å
111P95.4Very high94.7Very high68 Ų6874.8 Ų74.844%0.44240%0.397SS..THydrogen-bonded Turntrans-67.2-26.5-177.7-23.436000114.7N17 I108N17-P111 PolarHBondContact ND2-O 3.47Å; I108-P111 WeakPolarHBondContact O-CD 3.18Å
112S93.8Very high94.6Very high93 Ų9375.5 Ų75.565%0.6540%0.403SS*.THydrogen-bonded Turntrans-111.1-2.3179.155.60000113.4W110W110-S112 VanDerWaalsContact C-N 3.31Å; W110-S112 PolarHBondContact O-N 3.4Å
113G93.6Very high94.5Very high8 Ų873.7 Ų73.78%0.08239%0.39CS..  trans-65.7148.6-178.200000113D109 W110D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.41Å; D109-G113 PolarHBondContact O-N 2.82Å; W110-G113 PolarHBondContact O-N 3.46Å
114N94.5Very high94.5Very high58 Ų5869 Ų6931%0.3138%0.379SS..  trans-145.2170.5172.964.663.5000109.7L18 L19 D116 T117 I118L18-N114 WeakPolarHBondContact O-CA 3.39Å; L19-N114 CarbonylContact O-C 3.54Å; N114-D116 PolarHBondContact O-N 2.97Å; N114-D116 WeakPolarHBondContact OD1-CA 3.37Å; N114-D116 WeakPolarHBondContact OD1-CB 3.21Å; N114-D116 PolarHBondContact OD1-N 3.48Å; N114-T117 PolarHBondContact N-OG1 3.28Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.43Å; N114-T117 PolarHBondContact O-N 2.93Å; N114-T117 VanDerWaalsContact O-N 3.13Å; N114-T117 PolarHBondContact O-OG1 2.74Å; N114-T117 PolarHBondContact OD1-N 3.31Å; N114-T117 PolarHBondContact OD1-OG1 3.48Å; N114-I118 WeakPolarHBondContact O-CB 3.18Å; N114-I118 WeakPolarHBondContact O-CG1 3.45Å; N114-I118 PolarHBondContact O-N 3.02Å
115P93.8Very high94.5Very high44 Ų4469.6 Ų69.629%0.28638%0.384SS..THydrogen-bonded Turntrans-59.1-24.1-175.9-26.637.7000115L18 L19 K20L18-P115 HydrophobicContact CD2-CG 3.84Å; L18-P115 HydrophobicContact CG-CG 4.03Å; L18-P115 WeakPolarHBondContact O-CD 3.34Å; L19-P115 WeakPolarHBondContact O-CA 3.47Å; K20-P115 PolarHBondContact NZ-O 3.28Å
116D92.6Very high94.4Very high158 Ų15869.9 Ų69.985%0.84539%0.385SS*.THydrogen-bonded Turntrans-85.8-30.9-179.4-59.3-38.1000112.1N114N114-D116 PolarHBondContact O-N 2.97Å; N114-D116 WeakPolarHBondContact OD1-CA 3.37Å; N114-D116 WeakPolarHBondContact OD1-CB 3.21Å; N114-D116 PolarHBondContact OD1-N 3.48Å
117T94.1Very high94.4Very high90 Ų9063.6 Ų63.655%0.55236%0.355SS*.THydrogen-bonded Turntrans-88-31.918058.80000113.1N114 N119N114-T117 PolarHBondContact N-OG1 3.28Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.43Å; N114-T117 PolarHBondContact O-N 2.93Å; N114-T117 VanDerWaalsContact O-N 3.13Å; N114-T117 PolarHBondContact O-OG1 2.74Å; N114-T117 PolarHBondContact OD1-N 3.31Å; N114-T117 PolarHBondContact OD1-OG1 3.48Å; T117-N119 PolarHBondContact O-N 3.29Å
118I95.4Very high94.4Very high8 Ų863 Ų634%0.04136%0.356CS..  trans-81.3110.9-178.4-60.7-55000110.7L19 K20 F101 V105 D109 N114 Y120L19-I118 HydrophobicContact CB-CG1 4.22Å; L19-I118 HydrophobicContact CD2-CG1 4.31Å; L19-I118 WeakPolarHBondContact O-CB 3.46Å; K20-I118 PolarHBondContact NZ-O 3.18Å; F101-I118 HydrophobicContact CE2-CG2 3.66Å; F101-I118 HydrophobicContact CZ-CG2 3.75Å; V105-I118 HydrophobicContact CG1-CD1 3.86Å; V105-I118 HydrophobicContact CG1-CG2 4.43Å; V105-I118 HydrophobicContact CG2-CG2 4.01Å; D109-I118 HydrophobicContact CB-CD1 4.38Å; N114-I118 WeakPolarHBondContact O-CB 3.18Å; N114-I118 WeakPolarHBondContact O-CG1 3.45Å; N114-I118 PolarHBondContact O-N 3.02Å; I118-Y120 PolarHBondContact O-N 2.9Å
119N92.2Very high94.2Very high119 Ų11961.5 Ų61.564%0.63635%0.345SS*.  trans-8976.2176-173.329.5000111.6T117 K121T117-N119 PolarHBondContact O-N 3.29Å; N119-K121 WeakPolarHBondContact OD1-CE 3.44Å
120Y94.2Very high94.1Very high0 Ų058 Ų580%033%0.326CS..  trans-123.8116.1170.7-177.4-104.6000109.1K20 E100 F101 Q104 I118 A122 L123K20-Y120 WeakPolarHBondContact CE-O 3.29Å; E100-Y120 HydrophobicContact CG-CE2 4.32Å; F101-Y120 HydrophobicContact CB-CE2 4.34Å; F101-Y120 AromaticContact CD2-CD1 3.82Å; F101-Y120 HydrophobicContact CD2-CD1 3.82Å; F101-Y120 AromaticContact CD2-CD2 3.94Å; F101-Y120 HydrophobicContact CD2-CD2 3.94Å; F101-Y120 HydrophobicContact CD2-CE1 4.22Å; F101-Y120 HydrophobicContact CD2-CE2 4.34Å; F101-Y120 AromaticContact CD2-CG 3.65Å; F101-Y120 HydrophobicContact CD2-CG 3.65Å; F101-Y120 HydrophobicContact CE2-CD1 4.35Å; F101-Y120 HydrophobicContact CE2-CG 4.08Å; Q104-Y120 HydrophobicContact CB-CD2 4.41Å; I118-Y120 PolarHBondContact O-N 2.9Å; Y120-A122 HydrophobicContact CE1-CB 4.17Å; Y120-A122 HydrophobicContact CE2-CB 3.99Å; Y120-L123 HydrophobicContact CD1-CB 4Å; Y120-L123 HydrophobicContact CE1-CB 3.81Å; Y120-L123 HydrophobicContact CE1-CD1 3.89Å; Y120-L123 HydrophobicContact CE1-CG 4.44Å
121K91.8Very high94.1Very high155 Ų15559.6 Ų59.667%0.67433%0.333SS*.  trans-108.4-6.4-173.5-63.1-176.3-179.4179.90114.1N119 L123N119-K121 WeakPolarHBondContact OD1-CE 3.44Å; K121-L123 VanDerWaalsContact C-N 3.28Å; K121-L123 PolarHBondContact O-N 3.04Å
122A94.5Very high93.8Very high15 Ų1559.3 Ų59.312%0.12433%0.328CS..Hα-helixtrans-77.6-13.2-17600000113.2E100 Y120 D124 I125 H126E100-A122 WeakPolarHBondContact OE1-CB 3.43Å; Y120-A122 HydrophobicContact CE1-CB 4.17Å; Y120-A122 HydrophobicContact CE2-CB 3.99Å; A122-D124 PolarHBondContact O-N 3.34Å; A122-I125 WeakPolarHBondContact O-CB 3.4Å; A122-I125 PolarHBondContact O-N 2.91Å; A122-H126 PolarHBondContact O-CD2 3.01Å; A122-H126 PolarHBondContact O-N 2.9Å
123L95.2Very high93.4Very high0 Ų056.1 Ų56.10%031%0.305CS..Hα-helixtrans-63-43.8-174-154.467.1000112.8L6 V8 K20 S21 A22 V97 Y120 K121 I125 H126 L127L6-L123 HydrophobicContact CD2-CD1 3.56Å; L6-L123 HydrophobicContact CD2-CG 3.94Å; L6-L123 HydrophobicContact CG-CD1 3.69Å; L6-L123 HydrophobicContact CG-CG 4.05Å; L6-L123 WeakPolarHBondContact O-CD2 3.46Å; V8-L123 HydrophobicContact CG2-CD1 3.95Å; K20-L123 HydrophobicContact CB-CD2 4.05Å; K20-L123 HydrophobicContact CG-CD2 4.17Å; S21-L123 VanDerWaalsContact CA-CD2 3.47Å; A22-L123 HydrophobicContact CB-CB 4.17Å; A22-L123 HydrophobicContact CB-CD2 4.18Å; A22-L123 HydrophobicContact CB-CG 3.96Å; V97-L123 HydrophobicContact CG1-CD1 3.48Å; V97-L123 VanDerWaalsContact CG1-CD1 3.48Å; V97-L123 HydrophobicContact CG2-CD1 4.39Å; Y120-L123 HydrophobicContact CD1-CB 4Å; Y120-L123 HydrophobicContact CE1-CB 3.81Å; Y120-L123 HydrophobicContact CE1-CD1 3.89Å; Y120-L123 HydrophobicContact CE1-CG 4.44Å; K121-L123 VanDerWaalsContact C-N 3.28Å; K121-L123 PolarHBondContact O-N 3.04Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 2.88Å; L123-H126 PolarHBondContact O-N 3.33Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 2.9Å
124D95.1Very high92.7Very high91 Ų9165.8 Ų65.849%0.48734%0.339SS..Hα-helixtrans-63.8-37.1175.9-61.8-81.3000112.1A22 A122 L127 A128A22-D124 HydrophobicContact CB-CB 4.45Å; A22-D124 WeakPolarHBondContact CB-OD1 3.3Å; A122-D124 PolarHBondContact O-N 3.34Å; D124-L127 PolarHBondContact O-N 3.22Å; D124-A128 WeakPolarHBondContact O-CB 3.16Å; D124-A128 PolarHBondContact O-N 3.29Å
125I94.9Very high91.6Very high117 Ų11768.3 Ų68.360%0.635%0.349SS*.Hα-helixtrans-66.6-44.6178.3-57.8174.2000110A122 L123 A128 K129A122-I125 WeakPolarHBondContact O-CB 3.4Å; A122-I125 PolarHBondContact O-N 2.91Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 2.88Å; I125-A128 PolarHBondContact O-N 2.82Å; I125-K129 VanDerWaalsContact O-CB 3.28Å; I125-K129 WeakPolarHBondContact O-CB 3.39Å; I125-K129 PolarHBondContact O-N 2.83Å
126H94.6Very high90.2Very high15 Ų1566.6 Ų66.67%0.06934%0.339CS..Hα-helixtrans-64-46176.3-72.4-53.3000111.4L6 L93 V97 E100 A122 L123 A128 K129 Y130L6-H126 HydrophobicContact CD2-CB 4.18Å; L93-H126 HydrophobicContact CD1-CB 3.92Å; V97-H126 HydrophobicContact CG2-CB 4.18Å; E100-H126 IonicContact OE1-NE2 3.6Å; E100-H126 IonicContact OE2-CD2 2.88Å; E100-H126 IonicContact OE2-CE1 3.49Å; E100-H126 PolarHBondContact OE2-CE1 3.49Å; E100-H126 VanDerWaalsContact OE2-CE1 3.27Å; E100-H126 IonicContact OE2-NE2 2.71Å; E100-H126 PolarHBondContact OE2-NE2 3.41Å; A122-H126 PolarHBondContact O-CD2 3.01Å; A122-H126 PolarHBondContact O-N 2.9Å; L123-H126 PolarHBondContact O-N 3.33Å; H126-A128 VanDerWaalsContact C-N 3.34Å; H126-A128 PolarHBondContact O-N 3.44Å; H126-K129 PolarHBondContact O-N 3.44Å; H126-Y130 WeakPolarHBondContact O-CB 3.11Å; H126-Y130 VanDerWaalsContact O-CD2 3.26Å; H126-Y130 WeakPolarHBondContact O-CD2 3.37Å; H126-Y130 PolarHBondContact O-N 2.76Å
127L95.7Very high88.4Confident7 Ų764.4 Ų64.44%0.03733%0.327CS..Hα-helixtrans-58-46.7177.5-179.162.1000111.4L3 L6 A22 D24 L123 D124 Q131L3-L127 HydrophobicContact CB-CD1 3.54Å; L3-L127 HydrophobicContact CD1-CD1 4.11Å; L3-L127 HydrophobicContact CG-CD1 4.49Å; L6-L127 HydrophobicContact CB-CB 4.39Å; L6-L127 HydrophobicContact CB-CD1 4.06Å; L6-L127 HydrophobicContact CD2-CB 4.35Å; A22-L127 HydrophobicContact CB-CB 4.3Å; A22-L127 HydrophobicContact CB-CD2 3.86Å; D24-L127 HydrophobicContact CB-CD2 4.36Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 2.9Å; D124-L127 PolarHBondContact O-N 3.22Å; L127-Q131 WeakPolarHBondContact O-CG 3.38Å; L127-Q131 PolarHBondContact O-N 3.03Å
128A94.8Very high86.5Confident67 Ų6764.7 Ų64.755%0.55434%0.339SS*.Hα-helixtrans-64.6-46178.800000112.4D124 I125 H126 Y130 Q131D124-A128 WeakPolarHBondContact O-CB 3.16Å; D124-A128 PolarHBondContact O-N 3.29Å; I125-A128 PolarHBondContact O-N 2.82Å; H126-A128 VanDerWaalsContact C-N 3.34Å; H126-A128 PolarHBondContact O-N 3.44Å; A128-Y130 VanDerWaalsContact C-N 3.34Å; A128-Y130 PolarHBondContact O-N 3.49Å; A128-Q131 WeakPolarHBondContact O-CB 3.29Å; A128-Q131 PolarHBondContact O-N 2.62Å
129K92.2Very high84.7Confident92 Ų9266.7 Ų66.740%0.435%0.349SS..Hα-helixtrans-62.2-41.1179.7179.9174.4178.9171.30112.2I125 H126 Q131I125-K129 VanDerWaalsContact O-CB 3.28Å; I125-K129 WeakPolarHBondContact O-CB 3.39Å; I125-K129 PolarHBondContact O-N 2.83Å; H126-K129 PolarHBondContact O-N 3.44Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.85Å
130Y93.3Very high82.9Confident2 Ų266.7 Ų66.71%0.00835%0.353CS..THydrogen-bonded Turntrans-82.82-177.3-78.6-108.5000113.4Y85 V89 L93 K96 H126 A128 N132 A136Y85-Y130 WeakPolarHBondContact CE2-O 3.46Å; Y85-Y130 PolarHBondContact OH-O 3.37Å; V89-Y130 HydrophobicContact CG1-CD1 3.94Å; V89-Y130 HydrophobicContact CG1-CE1 4.34Å; L93-Y130 HydrophobicContact CB-CD1 3.72Å; L93-Y130 HydrophobicContact CB-CE1 3.8Å; L93-Y130 HydrophobicContact CB-CG 4.26Å; L93-Y130 HydrophobicContact CD1-CD1 4.09Å; L93-Y130 HydrophobicContact CD1-CD2 3.72Å; L93-Y130 HydrophobicContact CD1-CE1 4.27Å; L93-Y130 HydrophobicContact CD1-CE2 3.91Å; L93-Y130 HydrophobicContact CD1-CG 3.81Å; L93-Y130 HydrophobicContact CD2-CD1 4.31Å; L93-Y130 HydrophobicContact CD2-CG 4.15Å; L93-Y130 HydrophobicContact CG-CD1 4.26Å; L93-Y130 HydrophobicContact CG-CG 4.29Å; K96-Y130 WeakPolarHBondContact CD-OH 3.34Å; H126-Y130 WeakPolarHBondContact O-CB 3.11Å; H126-Y130 VanDerWaalsContact O-CD2 3.26Å; H126-Y130 WeakPolarHBondContact O-CD2 3.37Å; H126-Y130 PolarHBondContact O-N 2.76Å; A128-Y130 VanDerWaalsContact C-N 3.34Å; A128-Y130 PolarHBondContact O-N 3.49Å; Y130-N132 PolarHBondContact O-N 3.44Å; Y130-A136 HydrophobicContact CD1-CB 3.73Å; Y130-A136 HydrophobicContact CE1-CB 3.41Å; Y130-A136 VanDerWaalsContact CE1-CB 3.41Å
131Q94.6Very high81Confident44 Ų4475.5 Ų75.521%0.20639%0.391CS..THydrogen-bonded Turntrans-59.2-28.3165.8-68.1-60-14.800112L3 D24 L127 A128 K129 P133L3-Q131 PolarHBondContact O-NE2 3.39Å; D24-Q131 PolarHBondContact OD2-NE2 2.92Å; L127-Q131 WeakPolarHBondContact O-CG 3.38Å; L127-Q131 PolarHBondContact O-N 3.03Å; A128-Q131 WeakPolarHBondContact O-CB 3.29Å; A128-Q131 PolarHBondContact O-N 2.62Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.85Å; Q131-P133 WeakPolarHBondContact O-CD 3.44Å
132N89.2Confident79.5Confident63 Ų6369.4 Ų69.434%0.33737%0.367SS..SBendtrans-103.3103.1171-175.1-2.2000110.2Y130 R134 E135Y130-N132 PolarHBondContact O-N 3.44Å; N132-R134 PolarHBondContact O-N 3.36Å; N132-R134 PolarHBondContact OD1-N 3.47Å; N132-E135 HydrophobicContact CB-CB 4.49Å; N132-E135 HydrophobicContact CB-CG 4.21Å; N132-E135 PolarHBondContact ND2-OE1 2.96Å; N132-E135 PolarHBondContact O-N 2.97Å
133P84.3Confident77.7Confident25 Ų2570.9 Ų70.916%0.16237%0.371CS..G310 helixtrans-58-26.1-177.7-25.734000114.2M1 Y85 P86 V89 Q131 E135 A136M1-P133 HydrophobicContact CE-CG 4.27Å; Y85-P133 HydrophobicContact CD2-CG 4.29Å; Y85-P133 HydrophobicContact CE2-CG 3.74Å; P86-P133 HydrophobicContact CG-CB 4.17Å; P86-P133 HydrophobicContact CG-CG 4.28Å; V89-P133 HydrophobicContact CG1-CB 4.27Å; V89-P133 HydrophobicContact CG2-CB 4.27Å; Q131-P133 WeakPolarHBondContact O-CD 3.44Å; P133-E135 VanDerWaalsContact C-N 3.29Å; P133-E135 PolarHBondContact O-N 3.4Å; P133-A136 VanDerWaalsContact O-CB 3.31Å; P133-A136 WeakPolarHBondContact O-CB 3.47Å; P133-A136 PolarHBondContact O-N 2.97Å
134R79.9Confident76Confident211 Ų21173.9 Ų73.980%0.79640%0.396SS*.G310 helixtrans-70.6-24.5179.9-63-178.7178.1175.8-0113.2N132 A136N132-R134 PolarHBondContact O-N 3.36Å; N132-R134 PolarHBondContact OD1-N 3.47Å; R134-A136 PolarHBondContact O-N 3.48Å
135E71.3Confident74.4Confident111 Ų11176 Ų7652%0.51940%0.403SS..G310 helixtrans-78.8-6.7176.5-69.9176.6-146.500112.6N132 P133N132-E135 HydrophobicContact CB-CB 4.49Å; N132-E135 HydrophobicContact CB-CG 4.21Å; N132-E135 PolarHBondContact ND2-OE1 2.96Å; N132-E135 PolarHBondContact O-N 2.97Å; P133-E135 VanDerWaalsContact C-N 3.29Å; P133-E135 PolarHBondContact O-N 3.4Å
136A63.9Low72.8Confident9 Ų971 Ų717%0.07438%0.378CS..G310 helixtrans-87.4-18.8174.200000113.6V89 Y130 P133 R134 A138V89-A136 HydrophobicContact CG1-CB 3.66Å; Y130-A136 HydrophobicContact CD1-CB 3.73Å; Y130-A136 HydrophobicContact CE1-CB 3.41Å; Y130-A136 VanDerWaalsContact CE1-CB 3.41Å; P133-A136 VanDerWaalsContact O-CB 3.31Å; P133-A136 WeakPolarHBondContact O-CB 3.47Å; P133-A136 PolarHBondContact O-N 2.97Å; R134-A136 PolarHBondContact O-N 3.48Å; A136-A138 PolarHBondContact O-N 2.68Å
137D55.2Low71.3Confident112 Ų11275.2 Ų75.260%0.59940%0.401SS*.THydrogen-bonded Turntrans-67.8-2.8-168-92.5-27.5000115.8M139D137-M139 PolarHBondContact O-N 3.38Å; D137-M139 VanDerWaalsContact O-N 3.15Å
138A54.8Low69.7Low96 Ų9683.2 Ų83.279%0.79344%0.438SS*.THydrogen-bonded Turntrans-74.75.2177.200000114.4A136A136-A138 PolarHBondContact O-N 2.68Å
139M56.4Low68.6Low50 Ų5082.1 Ų82.125%0.24643%0.425CS..  trans-112.465.5-176.4-78.3177.841.500113.3T92 K96 D137 K141 V142T92-M139 HydrophobicContact CG2-CE 3.61Å; T92-M139 HydrophobicContact CG2-SD 4.48Å; K96-M139 HydrophobicContact CD-SD 3.98Å; D137-M139 PolarHBondContact O-N 3.38Å; D137-M139 VanDerWaalsContact O-N 3.15Å; M139-K141 PolarHBondContact O-N 2.93Å; M139-K141 VanDerWaalsContact O-N 3.1Å; M139-V142 HydrophobicContact CE-CB 3.86Å; M139-V142 HydrophobicContact CE-CG1 4.39Å; M139-V142 HydrophobicContact CE-CG2 3.39Å
140T55.1Low68.2Low118 Ų11887 Ų8772%0.72445%0.445SS*.THydrogen-bonded Turntrans-61.3-18179.7-38.30000114.5Q143T140-Q143 WeakPolarHBondContact O-CB 3.26Å
141K55Low68Low185 Ų18589 Ų8980%0.80446%0.456SS*.THydrogen-bonded Turntrans-80.8-46.3179.9-79.9-173.6174.7-176.60113.9M139 Q143 A144M139-K141 PolarHBondContact O-N 2.93Å; M139-K141 VanDerWaalsContact O-N 3.1Å; K141-Q143 PolarHBondContact O-N 3.03Å; K141-A144 PolarHBondContact O-N 2.97Å
142V59.3Low68Low28 Ų2891 Ų9117%0.1747%0.467CS..Hα-helixtrans-63.5-25.3175.71750000110.9T92 M139 A144 E145 L146T92-V142 HydrophobicContact CG2-CB 4.4Å; T92-V142 HydrophobicContact CG2-CG1 3.99Å; M139-V142 HydrophobicContact CE-CB 3.86Å; M139-V142 HydrophobicContact CE-CG1 4.39Å; M139-V142 HydrophobicContact CE-CG2 3.39Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.06Å; V142-E145 PolarHBondContact O-N 3.48Å; V142-L146 HydrophobicContact CG1-CD1 4.09Å; V142-L146 HydrophobicContact CG1-CG 4.26Å; V142-L146 PolarHBondContact O-N 2.83Å
143Q56.6Low68.2Low45 Ų4593.1 Ų93.121%0.2148%0.478CS..Hα-helixtrans-58.6-34.6178.5-167.749.368.800114.4R88 T140 K141R88-Q143 VanDerWaalsContact CD-OE1 3.29Å; T140-Q143 WeakPolarHBondContact O-CB 3.26Å; K141-Q143 PolarHBondContact O-N 3.03Å
144A60.3Low68.6Low64 Ų6493.8 Ų93.853%0.52948%0.479SS..Hα-helixtrans-78.9-37.3-178.800000112.6K141 V142 D147K141-A144 PolarHBondContact O-N 2.97Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.06Å; A144-D147 PolarHBondContact O-N 2.97Å
145E60.3Low69.1Low136 Ų13689.4 Ų89.464%0.63647%0.471SS*.Hα-helixtrans-71.6-31.3-177.6-64.8177.917900112.6V142 T149V142-E145 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-N 3.24Å; E145-T149 PolarHBondContact O-OG1 2.84Å
146L62.3Low70.1Confident11 Ų1186.8 Ų86.86%0.05846%0.463CS..Hα-helixtrans-70.5-31.2178-73.2179.1000113.2R88 F91 T92 V142 E148 T149R88-L146 WeakPolarHBondContact O-CD1 3.41Å; F91-L146 HydrophobicContact CB-CD1 4Å; F91-L146 HydrophobicContact CB-CD2 3.72Å; T92-L146 VanDerWaalsContact OG1-CD1 3.23Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.43Å; V142-L146 HydrophobicContact CG1-CD1 4.09Å; V142-L146 HydrophobicContact CG1-CG 4.26Å; V142-L146 PolarHBondContact O-N 2.83Å; L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 3.28Å; L146-T149 PolarHBondContact O-N 3.13Å
147D61.9Low71.3Confident103 Ų10386.7 Ų86.755%0.55146%0.461SS*.Hα-helixtrans-72.1-22.4-178.6-73.9-16.6000112.2R88 A144R88-D147 IonicContact CZ-OD1 2.77Å; R88-D147 IonicContact NE-OD1 3.33Å; R88-D147 IonicContact NH2-OD1 3.87Å; R88-D147 PolarHBondContact NH2-OD1 3.5Å; R88-D147 IonicContact NH2-OD2 3.94Å; R88-D147 PolarHBondContact NH2-OD2 2.94Å; A144-D147 PolarHBondContact O-N 2.97Å
148E62.3Low73Confident175 Ų17585.3 Ų85.382%0.81845%0.451SS*.Hα-helixtrans-91.2-13175.3-64.2-175.6177.800113.2L146L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 3.28Å
149T71.9Confident74.7Confident45 Ų4583.5 Ų83.528%0.27643%0.433SS..SBendtrans-86.5122.7-174.2-58.90000111.6R56 E145 L146 I151R56-T149 HydrophobicContact CG-CG2 4.47Å; E145-T149 PolarHBondContact O-N 3.24Å; E145-T149 PolarHBondContact O-OG1 2.84Å; L146-T149 PolarHBondContact O-N 3.13Å; T149-I151 PolarHBondContact O-N 3.45Å
150K84.5Confident76.3Confident193 Ų19382 Ų8284%0.83943%0.425SS*.PPolyproline II helixtrans-67.7119.7172.7-66.4-174.5-179.1179.30110.6
151I89.8Confident78Confident46 Ų4677.6 Ų77.624%0.23640%0.397CS..EExtended strand (participates in β ladder)trans-102.7122.7174.4-62.7163.5000108.2R56 Q87 F91 T149R56-I151 HydrophobicContact CB-CG1 4.2Å; Q87-I151 HydrophobicContact CG-CD1 4.45Å; F91-I151 HydrophobicContact CD2-CD1 3.69Å; F91-I151 HydrophobicContact CD2-CG1 4.49Å; F91-I151 HydrophobicContact CE2-CD1 3.59Å; F91-I151 HydrophobicContact CE2-CG1 4.06Å; F91-I151 HydrophobicContact CE2-CG2 3.8Å; F91-I151 HydrophobicContact CG-CD1 4.48Å; F91-I151 HydrophobicContact CZ-CD1 4.29Å; F91-I151 HydrophobicContact CZ-CG1 4.29Å; F91-I151 HydrophobicContact CZ-CG2 3.81Å; T149-I151 PolarHBondContact O-N 3.45Å
152I93.8Very high79.6Confident85 Ų8574.9 Ų74.944%0.43639%0.388SS..EExtended strand (participates in β ladder)trans-76.9131.2176.8-55.8170.9000108.5R56 A57 S58 H154R56-I152 PolarHBondContact O-N 3.34Å; A57-I152 CarbonylContact C-O 3.5Å; A57-I152 WeakPolarHBondContact CA-O 3.37Å; A57-I152 HydrophobicContact CB-CB 4.04Å; S58-I152 PolarHBondContact N-O 3.42Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.25Å
153L93.3Very high81Confident107 Ų10786 Ų8656%0.5643%0.426SS*.EExtended strand (participates in β ladder)trans-109.5123.4177.7-177.165.1000110.6
154H93.5Very high82.5Confident40 Ų4087.4 Ų87.419%0.18545%0.453CS..EExtended strand (participates in β ladder)trans-107.1124.9173-71.9-82.2000108.8S58 V59 K60 I152 S159S58-H154 PolarHBondContact O-N 3.29Å; V59-H154 HydrophobicContact CB-CB 4.26Å; V59-H154 HydrophobicContact CG1-CB 4.08Å; V59-H154 HydrophobicContact CG2-CB 4.07Å; K60-H154 PolarHBondContact N-O 3.02Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.25Å; H154-S159 VanDerWaalsContact CB-OG 3.22Å; H154-S159 WeakPolarHBondContact CB-OG 3.36Å; H154-S159 PolarHBondContact ND1-OG 3.42Å
155N90.4Very high84Confident118 Ų11887 Ų8763%0.63144%0.44SS*.SBendtrans-77.5-25.8-176.1-72.6-35.6000113.6K60K60-N155 CarbonylContact O-C 3.45Å; K60-N155 VanDerWaalsContact O-O 3.05Å
156T91.3Very high85.4Confident57 Ų5786.9 Ų86.935%0.3544%0.438SS..SBendtrans-146.5160.3178.375.90000110.4K60 E158 S159K60-T156 WeakPolarHBondContact O-CA 3.43Å; K60-T156 PolarHBondContact O-N 2.97Å; T156-E158 WeakPolarHBondContact CB-OE2 3.16Å; T156-E158 PolarHBondContact O-N 2.77Å; T156-E158 PolarHBondContact OG1-N 3.16Å; T156-E158 PolarHBondContact OG1-OE2 3.45Å; T156-S159 WeakPolarHBondContact O-CB 3.19Å; T156-S159 PolarHBondContact O-N 3.09Å; T156-S159 VanDerWaalsContact O-N 3.17Å; T156-S159 PolarHBondContact O-OG 2.84Å
157M89.9Confident86.7Confident6 Ų687.3 Ų87.33%0.0344%0.44CS..G310 helixtrans-57.9-33.8172.6-172.657.255.500112.6T43 L46 I47 V59 E61 S159 L160 L167T43-M157 HydrophobicContact CG2-CE 3.65Å; L46-M157 HydrophobicContact CD2-CG 4.2Å; L46-M157 HydrophobicContact CD2-SD 3.75Å; L46-M157 HydrophobicContact CG-SD 4.32Å; I47-M157 HydrophobicContact CD1-CE 3.97Å; I47-M157 HydrophobicContact CG1-CE 3.87Å; I47-M157 HydrophobicContact CG1-SD 4.28Å; V59-M157 HydrophobicContact CG1-CE 3.87Å; E61-M157 WeakPolarHBondContact OE2-CB 3.28Å; E61-M157 PolarHBondContact OE2-N 2.9Å; M157-S159 PolarHBondContact O-N 3.18Å; M157-L160 WeakPolarHBondContact O-CB 3.29Å; M157-L160 PolarHBondContact O-N 3.2Å; M157-L160 VanDerWaalsContact O-N 3.07Å; M157-L160 HydrophobicContact SD-CD1 3.84Å; M157-L167 HydrophobicContact CB-CD2 4.38Å; M157-L167 HydrophobicContact CG-CD1 3.94Å; M157-L167 HydrophobicContact CG-CD2 4.16Å
158E89.8Confident88.1Confident84 Ų8485.4 Ų85.439%0.39343%0.43SS..G310 helixtrans-61.7-26.3179.2-63.581-175.900113T156 L160 L161T156-E158 WeakPolarHBondContact CB-OE2 3.16Å; T156-E158 PolarHBondContact O-N 2.77Å; T156-E158 PolarHBondContact OG1-N 3.16Å; T156-E158 PolarHBondContact OG1-OE2 3.45Å; E158-L160 PolarHBondContact O-N 3.05Å; E158-L161 WeakPolarHBondContact O-CB 3.4Å; E158-L161 PolarHBondContact O-N 2.71Å
159S91.3Very high89.5Confident58 Ų5881 Ų8141%0.40641%0.412SS..G310 helixtrans-69.2-12.1177.972.70000114H154 T156 M157H154-S159 VanDerWaalsContact CB-OG 3.22Å; H154-S159 WeakPolarHBondContact CB-OG 3.36Å; H154-S159 PolarHBondContact ND1-OG 3.42Å; T156-S159 WeakPolarHBondContact O-CB 3.19Å; T156-S159 PolarHBondContact O-N 3.09Å; T156-S159 VanDerWaalsContact O-N 3.17Å; T156-S159 PolarHBondContact O-OG 2.84Å; M157-S159 PolarHBondContact O-N 3.18Å
160L90.3Very high90.4Very high18 Ų1880.5 Ų80.59%0.09441%0.407CS..G310 helixtrans-89.9-12.4171.5-68.4176.8000113.2I47 R50 V59 M157 E158I47-L160 HydrophobicContact CB-CD1 4.4Å; I47-L160 HydrophobicContact CG1-CD1 3.87Å; R50-L160 HydrophobicContact CB-CB 3.97Å; R50-L160 HydrophobicContact CB-CD2 4.16Å; R50-L160 HydrophobicContact CB-CG 4.47Å; R50-L160 WeakPolarHBondContact CD-O 3.48Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 2.96Å; V59-L160 HydrophobicContact CG1-CD1 4.04Å; V59-L160 HydrophobicContact CG2-CD1 3.69Å; V59-L160 HydrophobicContact CG2-CG 4.38Å; M157-L160 WeakPolarHBondContact O-CB 3.29Å; M157-L160 PolarHBondContact O-N 3.2Å; M157-L160 VanDerWaalsContact O-N 3.07Å; M157-L160 HydrophobicContact SD-CD1 3.84Å; E158-L160 PolarHBondContact O-N 3.05Å
161L91.1Very high90.8Very high25 Ų2571.3 Ų71.313%0.13137%0.367CS..SBendtrans-85.9153.5-173.5-56.7-174.8000111.8L46 E158 E165 L167 L170L46-L161 HydrophobicContact CD1-CD2 4.49Å; L46-L161 HydrophobicContact CD2-CD2 4.39Å; E158-L161 WeakPolarHBondContact O-CB 3.4Å; E158-L161 PolarHBondContact O-N 2.71Å; L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CB-CG 4.45Å; L161-L167 HydrophobicContact CD1-CB 4.05Å; L161-L170 HydrophobicContact CD2-CD1 3.52Å
162E88.5Confident90.9Very high129 Ų12973.8 Ų73.860%0.60338%0.378SS*.PPolyproline II helixtrans-73.3158.1174.5-72.7173.8-147.100111.9R50 G164 E165R50-E162 IonicContact CZ-OE1 2.73Å; R50-E162 IonicContact NH1-OE1 2.68Å; R50-E162 PolarHBondContact NH1-OE1 3.4Å; E162-G164 PolarHBondContact O-N 3.15Å; E162-E165 HydrophobicContact CB-CB 4.32Å; E162-E165 PolarHBondContact N-OE2 3.3Å; E162-E165 VanDerWaalsContact O-CB 3.3Å; E162-E165 WeakPolarHBondContact O-CB 3.2Å; E162-E165 PolarHBondContact O-N 3.45Å
163R88Confident90.8Very high260 Ų26077.6 Ų77.698%0.98139%0.391SS*.THydrogen-bonded Turntrans-59.9117.8178.1-175.1-177.6178.7-155-0.4110.3
164G87.2Confident90.6Very high75 Ų7573.1 Ų73.177%0.77337%0.369SS*.THydrogen-bonded Turntrans92.9-4.3179.500000114.3E162E162-G164 PolarHBondContact O-N 3.15Å
165E91.8Very high90.3Very high55 Ų5579 Ų7926%0.25740%0.397SS..  trans-80.5142.1171.4-172.9174.4-142.500110.7R50 L161 E162 L170R50-E165 IonicContact CZ-OE1 2.79Å; R50-E165 IonicContact CZ-OE2 3.36Å; R50-E165 VanDerWaalsContact NH2-CD 3.25Å; R50-E165 IonicContact NH2-OE1 3.39Å; R50-E165 PolarHBondContact NH2-OE1 2.88Å; R50-E165 IonicContact NH2-OE2 2.98Å; R50-E165 PolarHBondContact NH2-OE2 2.64Å; L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CB-CG 4.45Å; E162-E165 HydrophobicContact CB-CB 4.32Å; E162-E165 PolarHBondContact N-OE2 3.3Å; E162-E165 VanDerWaalsContact O-CB 3.3Å; E162-E165 WeakPolarHBondContact O-CB 3.2Å; E162-E165 PolarHBondContact O-N 3.45Å; E165-L170 HydrophobicContact CG-CD1 4.13Å; E165-L170 HydrophobicContact CG-CG 4.33Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.43Å
166K90.8Very high90.1Very high134 Ų13477.3 Ų77.358%0.58338%0.384SS*.  trans-119.2134.6178.3-64.7-179.3179.6179.40110.3D168 D169 L170K166-D168 PolarHBondContact O-N 2.98Å; K166-D169 HydrophobicContact CB-CB 4.45Å; K166-D169 PolarHBondContact O-N 2.85Å; K166-L170 PolarHBondContact O-N 3.41Å
167L89.8Confident90.1Very high21 Ų2174.9 Ų74.911%0.1137%0.37CS..Hα-helixtrans-55.8-38.3175.4-173.860000111.9F42 L46 M157 L161 D169 L170 V171F42-L167 HydrophobicContact CE1-CD1 4.28Å; L46-L167 HydrophobicContact CD2-CD1 4Å; M157-L167 HydrophobicContact CB-CD2 4.38Å; M157-L167 HydrophobicContact CG-CD1 3.94Å; M157-L167 HydrophobicContact CG-CD2 4.16Å; L161-L167 HydrophobicContact CD1-CB 4.05Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.42Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L167-L170 PolarHBondContact O-N 3.47Å; L167-V171 HydrophobicContact CG-CG2 4.48Å; L167-V171 WeakPolarHBondContact O-CG2 3.37Å; L167-V171 PolarHBondContact O-N 3.36Å
168D90.6Very high90.2Very high62 Ų6276 Ų7633%0.33238%0.383SS..Hα-helixtrans-59.5-39.3178.1-66.3-6000112.3K166 V171 Q172 Y185 R189K166-D168 PolarHBondContact O-N 2.98Å; D168-V171 PolarHBondContact O-N 2.8Å; D168-Q172 WeakPolarHBondContact O-CG 3.32Å; D168-Q172 PolarHBondContact O-N 3.32Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.27Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.47Å; D168-Y185 PolarHBondContact OD1-OH 2.85Å; D168-R189 IonicContact OD1-CZ 3.89Å; D168-R189 IonicContact OD1-NH1 3.48Å; D168-R189 PolarHBondContact OD1-NH1 3.13Å; D168-R189 IonicContact OD2-NH1 3.21Å; D168-R189 PolarHBondContact OD2-NH1 3.42Å
169D92.4Very high90.2Very high82 Ų8278.7 Ų78.744%0.43940%0.4SS..Hα-helixtrans-69.7-37179.3-66.5-27.1000111K166 L167 Q172 K173K166-D169 HydrophobicContact CB-CB 4.45Å; K166-D169 PolarHBondContact O-N 2.85Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.42Å; D169-Q172 PolarHBondContact O-N 3.15Å; D169-K173 WeakPolarHBondContact O-CB 3.21Å; D169-K173 VanDerWaalsContact O-CG 3.28Å; D169-K173 WeakPolarHBondContact O-CG 3.37Å; D169-K173 PolarHBondContact O-N 3.07Å
170L91.3Very high90.2Very high35 Ų3582.7 Ų82.718%0.18341%0.412CS..Hα-helixtrans-65.7-43.5174.2-67.6173.7000111.6F42 L46 L161 E165 K166 L167 Q172 K173 S174F42-L170 HydrophobicContact CE2-CB 4.5Å; F42-L170 HydrophobicContact CZ-CB 4Å; L46-L170 HydrophobicContact CD1-CD1 4.04Å; L46-L170 HydrophobicContact CD2-CD1 4.29Å; L161-L170 HydrophobicContact CD2-CD1 3.52Å; E165-L170 HydrophobicContact CG-CD1 4.13Å; E165-L170 HydrophobicContact CG-CG 4.33Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.43Å; K166-L170 PolarHBondContact O-N 3.41Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L167-L170 PolarHBondContact O-N 3.47Å; L170-Q172 VanDerWaalsContact C-N 3.34Å; L170-Q172 PolarHBondContact O-N 2.83Å; L170-K173 PolarHBondContact O-N 2.72Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.74Å
171V92.7Very high90.2Very high1 Ų181.9 Ų81.91%0.00641%0.408CS..Hα-helixtrans-59.6-44.3175.1166.20000111F39 F42 L167 D168 S174 L177 K182 Y185F39-V171 HydrophobicContact CE1-CG1 4.32Å; F39-V171 HydrophobicContact CE1-CG2 4.17Å; F39-V171 HydrophobicContact CZ-CG1 4.32Å; F42-V171 HydrophobicContact CE1-CG2 3.88Å; F42-V171 HydrophobicContact CZ-CG2 4.17Å; L167-V171 HydrophobicContact CG-CG2 4.48Å; L167-V171 WeakPolarHBondContact O-CG2 3.37Å; L167-V171 PolarHBondContact O-N 3.36Å; D168-V171 PolarHBondContact O-N 2.8Å; V171-S174 PolarHBondContact O-N 3.19Å; V171-L177 HydrophobicContact CB-CD1 4.21Å; V171-L177 HydrophobicContact CG1-CD1 3.74Å; V171-L177 HydrophobicContact CG2-CD1 4.25Å; V171-K182 HydrophobicContact CG1-CG 4.38Å; V171-K182 WeakPolarHBondContact O-CE 3.49Å; V171-Y185 HydrophobicContact CB-CD1 4.39Å; V171-Y185 HydrophobicContact CB-CE1 4.29Å; V171-Y185 HydrophobicContact CG1-CD1 3.77Å; V171-Y185 HydrophobicContact CG1-CE1 4.17Å; V171-Y185 HydrophobicContact CG1-CG 4.16Å; V171-Y185 HydrophobicContact CG2-CD1 4.38Å; V171-Y185 HydrophobicContact CG2-CE1 4.12Å; V171-Y185 HydrophobicContact CG2-CE2 4.33Å
172Q91.4Very high90.3Very high97 Ų9782.1 Ų82.145%0.45341%0.408SS..Hα-helixtrans-66.2-38.2178.9-68.6-53.1-53.200112.8D168 D169 L170 K182D168-Q172 WeakPolarHBondContact O-CG 3.32Å; D168-Q172 PolarHBondContact O-N 3.32Å; D169-Q172 PolarHBondContact O-N 3.15Å; L170-Q172 VanDerWaalsContact C-N 3.34Å; L170-Q172 PolarHBondContact O-N 2.83Å; Q172-K182 WeakPolarHBondContact O-CE 3.46Å; Q172-K182 PolarHBondContact O-NZ 2.82Å
173K91.1Very high90.3Very high166 Ų16678.5 Ų78.572%0.72240%0.4SS*.Hα-helixtrans-80.8-17.2-179.2-69.2173.5-175.1174.40114.1D169 L170 E175D169-K173 WeakPolarHBondContact O-CB 3.21Å; D169-K173 VanDerWaalsContact O-CG 3.28Å; D169-K173 WeakPolarHBondContact O-CG 3.37Å; D169-K173 PolarHBondContact O-N 3.07Å; L170-K173 PolarHBondContact O-N 2.72Å; K173-E175 PolarHBondContact O-N 3.33Å
174S89.6Confident90.3Very high12 Ų1269.6 Ų69.68%0.08437%0.368CS..  trans-59.9132.9-176-178.50000112.6F42 L170 V171 H176 K182F42-S174 WeakPolarHBondContact CD2-OG 3.4Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.74Å; V171-S174 PolarHBondContact O-N 3.19Å; S174-H176 PolarHBondContact OG-N 3.48Å; S174-H176 VanDerWaalsContact OG-N 3.16Å; S174-K182 VanDerWaalsContact O-CE 3.28Å; S174-K182 WeakPolarHBondContact O-CE 3.42Å; S174-K182 PolarHBondContact O-NZ 2.79Å
175E87.9Confident90.3Very high165 Ų16567.8 Ų67.877%0.77134%0.339SS*.SBendtrans-84.2-16.5170.8-64.3174.214900111.6K15 K173 L177K15-E175 IonicContact NZ-OE2 3.55Å; K15-E175 PolarHBondContact NZ-OE2 3.12Å; K173-E175 PolarHBondContact O-N 3.33Å; E175-L177 VanDerWaalsContact C-N 3.3Å
176H85.3Confident90.1Very high81 Ų8171 Ų7138%0.37535%0.352SS..SBendtrans-79.2-13.3177.1-63.4-65000113.4F42 S174F42-H176 HydrophobicContact CB-CB 4.25Å; S174-H176 PolarHBondContact OG-N 3.48Å; S174-H176 VanDerWaalsContact OG-N 3.16Å
177L90.5Very high89.9Confident7 Ų768.1 Ų68.14%0.03735%0.345CS..SBendtrans-109.5123-177.1-60.7179.9000110.6E38 F39 F42 V171 E175 K182E38-L177 VanDerWaalsContact C-CD2 3.5Å; E38-L177 HydrophobicContact CB-CD2 3.82Å; E38-L177 WeakPolarHBondContact O-CD2 3.4Å; F39-L177 HydrophobicContact CD1-CD1 4.24Å; F39-L177 HydrophobicContact CD1-CD2 4.06Å; F39-L177 HydrophobicContact CD2-CD2 4.37Å; F39-L177 HydrophobicContact CE1-CD1 3.58Å; F39-L177 HydrophobicContact CE1-CD2 4.08Å; F39-L177 HydrophobicContact CE2-CD2 4.37Å; F39-L177 HydrophobicContact CG-CD2 4.16Å; F39-L177 HydrophobicContact CZ-CD1 3.81Å; F39-L177 HydrophobicContact CZ-CD2 4.17Å; F42-L177 HydrophobicContact CB-CD1 4.45Å; F42-L177 HydrophobicContact CB-CD2 3.86Å; F42-L177 HydrophobicContact CB-CG 4.1Å; F42-L177 HydrophobicContact CD1-CD1 4.25Å; F42-L177 HydrophobicContact CD2-CD1 4.5Å; F42-L177 HydrophobicContact CG-CD1 4.13Å; F42-L177 HydrophobicContact CG-CD2 4.42Å; F42-L177 HydrophobicContact CG-CG 4.25Å; V171-L177 HydrophobicContact CB-CD1 4.21Å; V171-L177 HydrophobicContact CG1-CD1 3.74Å; V171-L177 HydrophobicContact CG2-CD1 4.25Å; E175-L177 VanDerWaalsContact C-N 3.3Å; L177-K182 HydrophobicContact CB-CG 3.9Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å
178G92.1Very high89.7Confident30 Ų3068.6 Ų68.631%0.30935%0.352SS..  trans-69.8162.3169.500000112.2E38 Q180 S181 K182E38-G178 PolarHBondContact OE2-N 3.06Å; G178-Q180 PolarHBondContact O-N 3.39Å; G178-S181 PolarHBondContact O-N 2.81Å; G178-S181 VanDerWaalsContact O-N 3.08Å; G178-K182 PolarHBondContact O-N 2.72Å
179N91.2Very high89.3Confident140 Ų14071.3 Ų71.375%0.74936%0.358SS*.Hα-helixtrans-57.1-37.2-179.3-70.3-22.8000112.7A183N179-A183 WeakPolarHBondContact O-CB 3.33Å; N179-A183 PolarHBondContact O-N 3.01Å
180Q89.9Confident88.7Confident141 Ų14173.6 Ų73.666%0.65936%0.364SS*.Hα-helixtrans-64.6-43.7177-176.2175.6100111.6G178 A183 F184G178-Q180 PolarHBondContact O-N 3.39Å; Q180-A183 PolarHBondContact O-N 3.08Å; Q180-F184 WeakPolarHBondContact O-CB 3.33Å; Q180-F184 PolarHBondContact O-N 2.89Å
181S92Very high87.9Confident1 Ų178.1 Ų78.11%0.00738%0.384CS..Hα-helixtrans-67.4-41.8179.1-53.20000111.5S35 E38 F39 G178 A183 F184 Y185S35-S181 VanDerWaalsContact CA-OG 3.25Å; S35-S181 WeakPolarHBondContact CA-OG 3.29Å; S35-S181 WeakPolarHBondContact CB-OG 3.41Å; S35-S181 PolarHBondContact OG-OG 2.98Å; E38-S181 VanDerWaalsContact CD-OG 3.29Å; E38-S181 WeakPolarHBondContact OE2-CB 3.3Å; E38-S181 PolarHBondContact OE2-OG 3.06Å; F39-S181 VanDerWaalsContact CE2-O 3.23Å; F39-S181 WeakPolarHBondContact CE2-O 3.42Å; G178-S181 PolarHBondContact O-N 2.81Å; G178-S181 VanDerWaalsContact O-N 3.08Å; S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.04Å; S181-F184 WeakPolarHBondContact O-CB 3.38Å; S181-F184 PolarHBondContact O-N 2.84Å; S181-Y185 PolarHBondContact O-N 3.3Å
182K92Very high86.7Confident31 Ų3182.7 Ų82.714%0.13541%0.408CS..Hα-helixtrans-58.4-42.7172.1-67.7178.4-177.1177.70111.8V171 Q172 S174 L177 G178 K186V171-K182 HydrophobicContact CG1-CG 4.38Å; V171-K182 WeakPolarHBondContact O-CE 3.49Å; Q172-K182 WeakPolarHBondContact O-CE 3.46Å; Q172-K182 PolarHBondContact O-NZ 2.82Å; S174-K182 VanDerWaalsContact O-CE 3.28Å; S174-K182 WeakPolarHBondContact O-CE 3.42Å; S174-K182 PolarHBondContact O-NZ 2.79Å; L177-K182 HydrophobicContact CB-CG 3.9Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å; G178-K182 PolarHBondContact O-N 2.72Å; K182-K186 PolarHBondContact O-N 2.94Å
183A89.6Confident85.2Confident52 Ų5281.1 Ų81.143%0.4341%0.408SS..Hα-helixtrans-67.8-39.1176.200000112.5N179 Q180 S181 K186 T187N179-A183 WeakPolarHBondContact O-CB 3.33Å; N179-A183 PolarHBondContact O-N 3.01Å; Q180-A183 PolarHBondContact O-N 3.08Å; S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.04Å; A183-K186 PolarHBondContact O-N 2.85Å; A183-T187 WeakPolarHBondContact O-CB 3.47Å; A183-T187 PolarHBondContact O-N 2.96Å; A183-T187 PolarHBondContact O-OG1 2.97Å
184F87.9Confident83.4Confident74 Ų7477.8 Ų77.833%0.32541%0.405SS..Hα-helixtrans-58.3-50.9175.6176.5-101.9000111.1Q32 F39 Q180 S181 K186 T187 A188Q32-F184 HydrophobicContact CG-CE2 4.1Å; Q32-F184 HydrophobicContact CG-CZ 4.42Å; F39-F184 HydrophobicContact CE2-CD1 4.44Å; Q180-F184 WeakPolarHBondContact O-CB 3.33Å; Q180-F184 PolarHBondContact O-N 2.89Å; S181-F184 WeakPolarHBondContact O-CB 3.38Å; S181-F184 PolarHBondContact O-N 2.84Å; F184-K186 PolarHBondContact O-N 3.34Å; F184-T187 PolarHBondContact O-N 3.01Å; F184-T187 VanDerWaalsContact O-N 3.16Å; F184-A188 WeakPolarHBondContact O-CB 3.43Å; F184-A188 PolarHBondContact O-N 3.07Å
185Y87.4Confident81.4Confident37 Ų3782.3 Ų82.315%0.14544%0.435CS..Hα-helixtrans-59.4-45.6177.1170.8-91.2000113F39 D168 V171 S181 T187 A188 R189F39-Y185 AromaticContact CE1-CD2 3.87Å; F39-Y185 HydrophobicContact CE1-CD2 3.87Å; F39-Y185 HydrophobicContact CE1-CG 4.11Å; F39-Y185 HydrophobicContact CZ-CD2 4.03Å; F39-Y185 AromaticContact CZ-CG 3.87Å; F39-Y185 HydrophobicContact CZ-CG 3.87Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.27Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.47Å; D168-Y185 PolarHBondContact OD1-OH 2.85Å; V171-Y185 HydrophobicContact CB-CD1 4.39Å; V171-Y185 HydrophobicContact CB-CE1 4.29Å; V171-Y185 HydrophobicContact CG1-CD1 3.77Å; V171-Y185 HydrophobicContact CG1-CE1 4.17Å; V171-Y185 HydrophobicContact CG1-CG 4.16Å; V171-Y185 HydrophobicContact CG2-CD1 4.38Å; V171-Y185 HydrophobicContact CG2-CE1 4.12Å; V171-Y185 HydrophobicContact CG2-CE2 4.33Å; S181-Y185 PolarHBondContact O-N 3.3Å; Y185-T187 PolarHBondContact O-N 3.39Å; Y185-A188 PolarHBondContact O-N 3.48Å; Y185-R189 HydrophobicContact CE1-CG 4.14Å; Y185-R189 HydrophobicContact CE2-CG 4.21Å; Y185-R189 PolarHBondContact O-N 3.46Å; Y185-R189 WeakPolarHBondContact OH-CD 3.42Å
186K87.6Confident79.2Confident122 Ų12283 Ų8353%0.5344%0.438SS..Hα-helixtrans-60.4-37.5177.7-171.1175.4-175.2175.10111.9K182 A183 F184 K190K182-K186 PolarHBondContact O-N 2.94Å; A183-K186 PolarHBondContact O-N 2.85Å; F184-K186 PolarHBondContact O-N 3.34Å; K186-K190 WeakPolarHBondContact O-CG 3.31Å; K186-K190 PolarHBondContact O-N 3.43Å
187T86.5Confident76.8Confident73 Ų7385 Ų8545%0.44846%0.456SS..Hα-helixtrans-71.9-45.6178.7-540000111.1A183 F184 Y185 R189 K190 Q191A183-T187 WeakPolarHBondContact O-CB 3.47Å; A183-T187 PolarHBondContact O-N 2.96Å; A183-T187 PolarHBondContact O-OG1 2.97Å; F184-T187 PolarHBondContact O-N 3.01Å; F184-T187 VanDerWaalsContact O-N 3.16Å; Y185-T187 PolarHBondContact O-N 3.39Å; T187-R189 PolarHBondContact O-N 2.98Å; T187-K190 PolarHBondContact O-N 3.05Å; T187-Q191 WeakPolarHBondContact O-CG 3.18Å; T187-Q191 PolarHBondContact O-N 3.13Å
188A83.8Confident74.1Confident31 Ų3196.4 Ų96.426%0.25651%0.512SS..Hα-helixtrans-59.9-45177.200000111.8F184 Y185 K190 Q191 N192F184-A188 WeakPolarHBondContact O-CB 3.43Å; F184-A188 PolarHBondContact O-N 3.07Å; Y185-A188 PolarHBondContact O-N 3.48Å; A188-K190 VanDerWaalsContact C-N 3.35Å; A188-K190 PolarHBondContact O-N 3.22Å; A188-Q191 PolarHBondContact O-N 2.68Å; A188-N192 PolarHBondContact O-N 2.95Å; A188-N192 PolarHBondContact O-ND2 3.1Å
189R82.4Confident73.2Confident120 Ų12099.7 Ų99.745%0.45352%0.522SS..Hα-helixtrans-59.3-43.8175.1-77.6-148.970.6160.913.7112.7D168 Y185 T187 N192 S193D168-R189 IonicContact OD1-CZ 3.89Å; D168-R189 IonicContact OD1-NH1 3.48Å; D168-R189 PolarHBondContact OD1-NH1 3.13Å; D168-R189 IonicContact OD2-NH1 3.21Å; D168-R189 PolarHBondContact OD2-NH1 3.42Å; Y185-R189 HydrophobicContact CE1-CG 4.14Å; Y185-R189 HydrophobicContact CE2-CG 4.21Å; Y185-R189 PolarHBondContact O-N 3.46Å; Y185-R189 WeakPolarHBondContact OH-CD 3.42Å; T187-R189 PolarHBondContact O-N 2.98Å; R189-N192 PolarHBondContact O-N 3.33Å; R189-S193 WeakPolarHBondContact O-CB 3.26Å; R189-S193 PolarHBondContact O-N 3.05Å; R189-S193 PolarHBondContact O-OG 3.13Å
190K80.4Confident72.2Confident130 Ų13097.6 Ų97.657%0.56551%0.51SS*.Hα-helixtrans-62.4-42.9177.7-77.9-179.9175.7-167.10112.2K186 T187 A188 N192 S193 C194K186-K190 WeakPolarHBondContact O-CG 3.31Å; K186-K190 PolarHBondContact O-N 3.43Å; T187-K190 PolarHBondContact O-N 3.05Å; A188-K190 VanDerWaalsContact C-N 3.35Å; A188-K190 PolarHBondContact O-N 3.22Å; K190-N192 VanDerWaalsContact C-N 3.35Å; K190-S193 WeakPolarHBondContact CA-OG 3.48Å; K190-S193 PolarHBondContact O-N 3.05Å; K190-S193 PolarHBondContact O-OG 3.47Å; K190-C194 PolarHBondContact O-N 3.32Å
191Q75.1Confident71.3Confident130 Ų13095.2 Ų95.261%0.60750%0.502SS*.Hα-helixtrans-64.9-40.3179.2-73176.4-2.900111.6T187 A188T187-Q191 WeakPolarHBondContact O-CG 3.18Å; T187-Q191 PolarHBondContact O-N 3.13Å; A188-Q191 PolarHBondContact O-N 2.68Å
192N66.5Low70Confident96 Ų96100.7 Ų100.751%0.51353%0.531SS..Hα-helixtrans-74.9-29.8178.2-67.2-20.5000113A188 R189 K190 C194 C195A188-N192 PolarHBondContact O-N 2.95Å; A188-N192 PolarHBondContact O-ND2 3.1Å; R189-N192 PolarHBondContact O-N 3.33Å; K190-N192 VanDerWaalsContact C-N 3.35Å; N192-C194 PolarHBondContact O-N 2.75Å; N192-C195 PolarHBondContact O-N 2.84Å
193S59.4Low68.7Low64 Ų64105.1 Ų105.145%0.44856%0.556SS.*Hα-helixtrans-68.3-20.1176.662.20000114.2R189 K190 C195R189-S193 WeakPolarHBondContact O-CB 3.26Å; R189-S193 PolarHBondContact O-N 3.05Å; R189-S193 PolarHBondContact O-OG 3.13Å; K190-S193 WeakPolarHBondContact CA-OG 3.48Å; K190-S193 PolarHBondContact O-N 3.05Å; K190-S193 PolarHBondContact O-OG 3.47Å; S193-C195 PolarHBondContact O-N 3.48Å
194C54.6Low67.3Low97 Ų97108.6 Ų108.666%0.65556%0.564SS**THydrogen-bonded Turntrans-78.4-4.7177.3-71.40000113.5K190 N192K190-C194 PolarHBondContact O-N 3.32Å; N192-C194 PolarHBondContact O-N 2.75Å
195C46.7Very low65.8Low107 Ų107111.1 Ų111.172%0.72358%0.581SS**THydrogen-bonded Turntrans-108.6-3.8-178.6-63.80000113.8N192 S193N192-C195 PolarHBondContact O-N 2.84Å; S193-C195 PolarHBondContact O-N 3.48Å
196E43Very low64.1Low178 Ų178116.8 Ų116.883%0.83262%0.615SS**SBendtrans-90.6-7.8171.5-72.8-174.1155.400112.9
197V34.1Very low62.2Low124 Ų124116.3 Ų116.375%0.75262%0.622SS**  trans-113.369.1177.3-1680000109.4
198M33.8Very low60Low246 Ų246120.3 Ų120.3100%1.21264%0.638SS**  trans-151.40156.5-149.9-179.4-60.600110.8

Retrieved 198 of 198 residues in 1340.2 ms (Link to these results)

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