A0A077ZHD2_TRITR Loading...

Homoserine kinase

AlphaFold DB , UniProt , Accession A0A077ZHD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M84Confident95.9Very high30 Ų3021.5 Ų21.515%0.14813%0.132CC..  0-1.70-59.9-61.7-77.300114.9V3 L8 A10 M139 W161 F198 M214M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 HydrophobicContact CB-CG1 4.43Å; M1-V3 PolarHBondContact O-N 2.77Å; M1-L8 HydrophobicContact CB-CD2 3.95Å; M1-L8 HydrophobicContact CB-CG 4.46Å; M1-L8 HydrophobicContact CG-CD2 4.2Å; M1-L8 HydrophobicContact CG-CG 4.34Å; M1-A10 HydrophobicContact CG-CB 4.27Å; M1-A10 HydrophobicContact SD-CB 3.76Å; M1-M139 HydrophobicContact CE-CE 3.49Å; M1-M139 VanDerWaalsContact CE-CE 3.49Å; M1-M139 HydrophobicContact CE-CG 4.45Å; M1-M139 HydrophobicContact CE-SD 3.74Å; M1-W161 HydrophobicContact CE-CH2 3.17Å; M1-W161 HydrophobicContact CE-CZ2 3.61Å; M1-W161 HydrophobicContact CE-CZ3 4.08Å; M1-W161 HydrophobicContact SD-CH2 3.35Å; M1-W161 WeakPolarHBondContact SD-CH2 3.08Å; M1-W161 HydrophobicContact SD-CZ2 3.98Å; M1-W161 HydrophobicContact SD-CZ3 3.65Å; M1-F198 HydrophobicContact CE-CZ 3.94Å; M1-M214 HydrophobicContact CE-CE 4.4Å; M1-M214 VanDerWaalsContact O-CE 3.22Å; M1-M214 WeakPolarHBondContact O-CE 3.37Å
2S94Very high96.1Very high11 Ų1123.1 Ų23.18%0.07714%0.141CC..  trans48.839179.4-1600000115.2M214 K215 D216 E220S2-M214 CarbonylContact O-C 3.49Å; S2-K215 CarbonylContact O-C 3.52Å; S2-K215 WeakPolarHBondContact O-CA 3.33Å; S2-K215 PolarHBondContact O-N 3.39Å; S2-D216 PolarHBondContact O-N 3.01Å; S2-D216 WeakPolarHBondContact OG-CB 3.44Å; S2-E220 PolarHBondContact OG-OE2 3.33Å
3V97.7Very high96.3Very high2 Ų223.2 Ų23.21%0.01214%0.141CC..SBendtrans-152.9-40.5175.466.60000113.9M1 L8 H191 H194 F198 L213M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 HydrophobicContact CB-CG1 4.43Å; M1-V3 PolarHBondContact O-N 2.77Å; V3-L8 HydrophobicContact CG1-CD2 3.76Å; V3-H191 PolarHBondContact O-CE1 3.23Å; V3-H191 VanDerWaalsContact O-CE1 3.3Å; V3-H191 PolarHBondContact O-ND1 3.28Å; V3-H194 HydrophobicContact CG2-CB 3.83Å; V3-F198 HydrophobicContact CG1-CB 4.39Å; V3-F198 HydrophobicContact CG1-CD1 4.01Å; V3-F198 HydrophobicContact CG1-CD2 4.2Å; V3-F198 HydrophobicContact CG1-CE1 4.38Å; V3-F198 HydrophobicContact CG1-CG 3.93Å; V3-F198 HydrophobicContact CG2-CB 4.16Å; V3-L213 VanDerWaalsContact CG2-O 3.25Å; V3-L213 WeakPolarHBondContact CG2-O 3.35Å
4G97.2Very high96.4Very high5 Ų521.6 Ų21.65%0.05213%0.132CC..SBendtrans-112.177.3178.800000111.7D6 V7 L8G4-D6 PolarHBondContact O-N 3.28Å; G4-V7 PolarHBondContact O-N 3.04Å; G4-L8 PolarHBondContact O-N 3Å
5F96.5Very high96.5Very high43 Ų4324.8 Ų24.819%0.18915%0.151CC..THydrogen-bonded Turntrans-56.5128.8174.4-179.6-94000110.6V7 L179 I218 A219F5-V7 PolarHBondContact O-N 3.31Å; F5-L179 HydrophobicContact CE1-CD1 4.26Å; F5-L179 HydrophobicContact CE2-CD1 3.9Å; F5-L179 HydrophobicContact CZ-CD1 3.49Å; F5-L179 VanDerWaalsContact CZ-CD1 3.49Å; F5-I218 HydrophobicContact CB-CB 4.27Å; F5-I218 HydrophobicContact CB-CG2 4.16Å; F5-I218 HydrophobicContact CD1-CG2 3.93Å; F5-I218 HydrophobicContact CE1-CG2 4.5Å; F5-I218 HydrophobicContact CG-CG2 3.94Å; F5-A219 HydrophobicContact CD2-CB 3.48Å; F5-A219 VanDerWaalsContact CD2-CB 3.48Å; F5-A219 HydrophobicContact CE2-CB 3.59Å; F5-A219 HydrophobicContact CG-CB 4.46Å
6D94.5Very high96.5Very high44 Ų4430.4 Ų30.424%0.23518%0.18CC..THydrogen-bonded Turntrans58.8-11.7-175.2-71.7-6.5000116.9G4 R176G4-D6 PolarHBondContact O-N 3.28Å; D6-R176 IonicContact OD1-CZ 3.51Å; D6-R176 IonicContact OD1-NH1 3.06Å; D6-R176 PolarHBondContact OD1-NH1 2.86Å; D6-R176 IonicContact OD1-NH2 2.85Å; D6-R176 PolarHBondContact OD1-NH2 3.4Å; D6-R176 IonicContact OD2-CZ 3.2Å; D6-R176 IonicContact OD2-NH1 3.49Å; D6-R176 PolarHBondContact OD2-NH1 3.02Å; D6-R176 IonicContact OD2-NH2 2.92Å; D6-R176 PolarHBondContact OD2-NH2 3.01Å
7V97.7Very high96.4Very high45 Ų4532.1 Ų32.127%0.27321%0.206SC..THydrogen-bonded Turntrans-112.3-9.1-174.7-59.10000114.3G4 F5 L141 M142 L195G4-V7 PolarHBondContact O-N 3.04Å; F5-V7 PolarHBondContact O-N 3.31Å; V7-L141 CarbonylContact O-C 3.26Å; V7-L141 WeakPolarHBondContact O-CA 3.23Å; V7-L141 WeakPolarHBondContact O-CD1 3.49Å; V7-M142 PolarHBondContact O-N 3.39Å; V7-L195 HydrophobicContact CG2-CD1 4.49Å; V7-L195 HydrophobicContact CG2-CD2 3.73Å
8L98.4Very high96.3Very high7 Ų732.4 Ų32.44%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-141.9125.7-177.5-172.474.9000112.1M1 V3 G4 M139 Q140 L141 V153 F198 I199M1-L8 HydrophobicContact CB-CD2 3.95Å; M1-L8 HydrophobicContact CB-CG 4.46Å; M1-L8 HydrophobicContact CG-CD2 4.2Å; M1-L8 HydrophobicContact CG-CG 4.34Å; V3-L8 HydrophobicContact CG1-CD2 3.76Å; G4-L8 PolarHBondContact O-N 3Å; L8-M139 HydrophobicContact CD1-CG 3.82Å; L8-M139 HydrophobicContact CD1-SD 3.98Å; L8-M139 HydrophobicContact CD2-SD 4.19Å; L8-M139 HydrophobicContact CG-CG 4.31Å; L8-M139 HydrophobicContact CG-SD 4.36Å; L8-Q140 WeakPolarHBondContact CA-O 3.19Å; L8-L141 HydrophobicContact CD1-CB 4.24Å; L8-L141 HydrophobicContact CD1-CD1 4.34Å; L8-V153 HydrophobicContact CD1-CG2 4.29Å; L8-F198 HydrophobicContact CD2-CD1 3.96Å; L8-F198 HydrophobicContact CD2-CE1 3.52Å; L8-F198 HydrophobicContact CD2-CZ 4.28Å; L8-I199 HydrophobicContact CD1-CD1 4.43Å
9G98.3Very high96.2Very high7 Ų736.8 Ų36.87%0.07223%0.233CC..EExtended strand (participates in β ladder)trans-138.3168.7174.600000113.3D129 M139 Q140G9-D129 VanDerWaalsContact CA-O 3.31Å; G9-D129 WeakPolarHBondContact CA-O 3.4Å; G9-M139 CarbonylContact O-C 3.59Å; G9-M139 VanDerWaalsContact O-CA 3.31Å; G9-M139 WeakPolarHBondContact O-CA 3.34Å; G9-M139 WeakPolarHBondContact O-CG 3.42Å; G9-Q140 PolarHBondContact N-O 3.03Å; G9-Q140 PolarHBondContact O-N 3.3Å
10A98.5Very high96.1Very high30 Ų3036.9 Ų36.925%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-147.1137.4-178.700000111.4M1 G138 M139 L288M1-A10 HydrophobicContact CG-CB 4.27Å; M1-A10 HydrophobicContact SD-CB 3.76Å; A10-G138 VanDerWaalsContact CA-O 3.32Å; A10-G138 WeakPolarHBondContact CA-O 3.43Å; A10-M139 HydrophobicContact CB-CB 4.33Å; A10-M139 HydrophobicContact CB-CG 4.25Å; A10-L288 HydrophobicContact CB-CD2 3.76Å
11A98.5Very high96.2Very high13 Ų1336.1 Ų36.111%0.10723%0.23CC..  trans-87146.9171.200000109.8P133 G138 L288 D289A11-P133 HydrophobicContact CB-CB 4.21Å; A11-P133 VanDerWaalsContact CB-O 3.25Å; A11-P133 WeakPolarHBondContact CB-O 3.16Å; A11-G138 PolarHBondContact N-O 2.93Å; A11-L288 CarbonylContact O-C 3.36Å; A11-L288 VanDerWaalsContact O-CA 3.3Å; A11-L288 WeakPolarHBondContact O-CA 3.43Å; A11-D289 HydrophobicContact CB-CB 4.06Å; A11-D289 PolarHBondContact O-N 3.15Å
12V98.2Very high96.9Very high40 Ų4035.5 Ų35.524%0.24223%0.228CC..EExtended strand (participates in β ladder)trans-135.4144.1-172-68.60000110.1L163 C286 R287V12-L163 HydrophobicContact CB-CD1 4.27Å; V12-L163 HydrophobicContact CG2-CD1 3.61Å; V12-C286 HydrophobicContact CB-CB 4Å; V12-R287 CarbonylContact C-O 3.54Å; V12-R287 VanDerWaalsContact CA-O 3.23Å; V12-R287 WeakPolarHBondContact CA-O 3.38Å
13T97.8Very high97.1Very high24 Ų2436.6 Ų36.615%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-131.4133.8174.1-177.10000109.6C286 R287 D289T13-C286 CarbonylContact O-C 3.11Å; T13-C286 WeakPolarHBondContact O-CA 3.5Å; T13-C286 WeakPolarHBondContact O-CB 3.34Å; T13-R287 HydrophobicContact CG2-CG 3.76Å; T13-R287 PolarHBondContact N-O 3.48Å; T13-R287 PolarHBondContact O-N 3.01Å; T13-D289 HydrophobicContact CG2-CB 4.03Å
14P98.1Very high97.1Very high2 Ų237.4 Ų37.41%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-53.8138.3173.1-2937000112.8D16 G17 A18 L20 I285P14-D16 WeakPolarHBondContact CB-OD1 3.49Å; P14-D16 PolarHBondContact O-N 3Å; P14-G17 PolarHBondContact O-N 3.28Å; P14-A18 HydrophobicContact CB-CB 4.22Å; P14-A18 WeakPolarHBondContact CD-O 3.38Å; P14-A18 HydrophobicContact CG-CB 4.37Å; P14-A18 WeakPolarHBondContact CG-O 3.19Å; P14-L20 HydrophobicContact CG-CB 3.71Å; P14-L20 HydrophobicContact CG-CD2 4.32Å; P14-I285 WeakPolarHBondContact CA-O 2.82Å
15V97.8Very high97.1Very high69 Ų6940.3 Ų40.342%0.41826%0.255SS..THydrogen-bonded Turntrans-71.8-18.3-179.7-59.40000113.3G17 L160 I285 R287V15-G17 VanDerWaalsContact C-N 3.27Å; V15-L160 HydrophobicContact CG1-CD2 3.86Å; V15-I285 HydrophobicContact CG1-CG2 4.34Å; V15-I285 HydrophobicContact CG2-CB 4.06Å; V15-I285 HydrophobicContact CG2-CG2 4.05Å; V15-I285 WeakPolarHBondContact CG2-O 3.19Å; V15-I285 PolarHBondContact N-O 3.17Å; V15-R287 HydrophobicContact CG1-CB 4.4Å; V15-R287 HydrophobicContact CG1-CG 4.39Å
16D97.1Very high97.2Very high114 Ų11439.4 Ų39.461%0.6125%0.253SS*.THydrogen-bonded Turntrans-81.6-3.6176.562.45.6000113.3P14 A18P14-D16 WeakPolarHBondContact CB-OD1 3.49Å; P14-D16 PolarHBondContact O-N 3Å; D16-A18 VanDerWaalsContact C-N 3.33Å; D16-A18 VanDerWaalsContact OD1-CB 3.26Å; D16-A18 WeakPolarHBondContact OD1-CB 3.3Å; D16-A18 PolarHBondContact OD1-N 3.15Å
17G94.8Very high97.4Very high60 Ų6043.1 Ų43.162%0.61927%0.269SS*.  trans83.53-179.500000114.6P14 V15P14-G17 PolarHBondContact O-N 3.28Å; V15-G17 VanDerWaalsContact C-N 3.27Å
18A94.4Very high97.4Very high38 Ų3845 Ų4531%0.31429%0.289SS..  trans-62.1143.6172.200000110.9P14 D16P14-A18 HydrophobicContact CB-CB 4.22Å; P14-A18 WeakPolarHBondContact CD-O 3.38Å; P14-A18 HydrophobicContact CG-CB 4.37Å; P14-A18 WeakPolarHBondContact CG-O 3.19Å; D16-A18 VanDerWaalsContact C-N 3.33Å; D16-A18 VanDerWaalsContact OD1-CB 3.26Å; D16-A18 WeakPolarHBondContact OD1-CB 3.3Å; D16-A18 PolarHBondContact OD1-N 3.15Å
19L93.6Very high97.4Very high116 Ų11646.3 Ų46.361%0.60730%0.302SS*.  trans-78.7127.3170.9-64.8-179.4000109.7
20L95.6Very high97.3Very high37 Ų3755 Ų5519%0.19434%0.34CS..  trans-124.285.1174.4-172.869.4000108.8P14 M78 L163 F282P14-L20 HydrophobicContact CG-CB 3.71Å; P14-L20 HydrophobicContact CG-CD2 4.32Å; L20-M78 HydrophobicContact CD1-CE 4.2Å; L20-M78 HydrophobicContact CD1-SD 3.71Å; L20-M78 HydrophobicContact CG-CE 4.14Å; L20-M78 HydrophobicContact CG-SD 3.89Å; L20-L163 HydrophobicContact CD2-CD1 4.39Å; L20-F282 HydrophobicContact CD1-CE2 4.06Å; L20-F282 HydrophobicContact CD1-CZ 4.11Å
21G97.5Very high97.3Very high21 Ų2158.5 Ų58.522%0.21636%0.359CS..SBendtrans175.8170.5-175.600000110.8N77G21-N77 WeakPolarHBondContact O-CB 3.43Å
22D97.9Very high97.3Very high18 Ų1860.1 Ų60.110%0.09636%0.363CS..  trans-88.6154.2173.5-63.9-32.1000110.8L74 K76 N77 M78 C89 S90D22-L74 HydrophobicContact CB-CD1 4.21Å; D22-K76 WeakPolarHBondContact OD2-CD 2.96Å; D22-K76 IonicContact OD2-NZ 3.59Å; D22-K76 PolarHBondContact OD2-NZ 3.37Å; D22-N77 PolarHBondContact OD1-N 2.8Å; D22-M78 WeakPolarHBondContact OD1-CB 3.46Å; D22-M78 PolarHBondContact OD1-N 3.17Å; D22-C89 HydrophobicContact CB-CB 4.08Å; D22-S90 PolarHBondContact OD2-OG 3.44Å
23V98.1Very high97.3Very high34 Ų3460.4 Ų60.421%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-115.8137.8174.4-177.70000109.1E75 L296V23-E75 HydrophobicContact CB-CB 4.12Å; V23-E75 PolarHBondContact N-O 2.86Å; V23-E75 PolarHBondContact O-N 3.07Å; V23-L296 HydrophobicContact CG1-CD1 4.06Å; V23-L296 HydrophobicContact CG2-CD1 4Å
24V98.5Very high97.3Very high18 Ų1860.8 Ų60.811%0.10937%0.368CS..EExtended strand (participates in β ladder)trans-124.9124.4171.8175.90000109.4V26 V53 M72 T73 L74 A93 A94 A97V24-V26 HydrophobicContact CG1-CG2 4.17Å; V24-V53 HydrophobicContact CG2-CG2 4.39Å; V24-M72 HydrophobicContact CG1-CE 3.74Å; V24-T73 VanDerWaalsContact CA-O 3.31Å; V24-T73 WeakPolarHBondContact CA-O 3.29Å; V24-L74 HydrophobicContact CG2-CD1 3.84Å; V24-A93 HydrophobicContact CB-CB 3.94Å; V24-A93 HydrophobicContact CG2-CB 3.6Å; V24-A94 HydrophobicContact CG2-CB 4.43Å; V24-A97 HydrophobicContact CG1-CB 4.25Å
25T98.3Very high97.3Very high66 Ų6665 Ų6541%0.40539%0.39SS..EExtended strand (participates in β ladder)trans-103.3137.9174-54.10000109.3E27 M72 T73T25-E27 HydrophobicContact CG2-CG 4.17Å; T25-M72 CarbonylContact O-C 3.58Å; T25-M72 VanDerWaalsContact O-CA 3.3Å; T25-M72 WeakPolarHBondContact O-CA 3.42Å; T25-T73 PolarHBondContact N-O 3.36Å; T25-T73 PolarHBondContact O-N 2.74Å
26V98.3Very high97.3Very high24 Ų2464.7 Ų64.715%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-130118.3178.1-177.40000109.5V24 V70 M72 A97 M98 H101V24-V26 HydrophobicContact CG1-CG2 4.17Å; V26-V70 HydrophobicContact CG1-CB 3.79Å; V26-V70 HydrophobicContact CG1-CG1 3.66Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; V26-M72 HydrophobicContact CG2-CE 3.86Å; V26-M72 HydrophobicContact CG2-CG 4.15Å; V26-A97 HydrophobicContact CB-CB 4.47Å; V26-A97 HydrophobicContact CG2-CB 3.54Å; V26-M98 HydrophobicContact CG1-SD 3.92Å; V26-M98 HydrophobicContact CG2-SD 4.36Å; V26-H101 HydrophobicContact CB-CB 4.44Å; V26-H101 HydrophobicContact CG1-CB 3.96Å
27E98Very high97.3Very high122 Ų12264 Ų6457%0.5738%0.382SS*.EExtended strand (participates in β ladder)trans-119.9148.9179.6-60.7-179.6141.700110.6T25 V70 A71T25-E27 HydrophobicContact CG2-CG 4.17Å; E27-V70 CarbonylContact O-C 3.5Å; E27-V70 WeakPolarHBondContact O-CA 3.47Å; E27-V70 VanDerWaalsContact O-CB 3.3Å; E27-V70 WeakPolarHBondContact O-CB 3.33Å; E27-A71 HydrophobicContact CB-CB 4.48Å; E27-A71 PolarHBondContact N-O 2.92Å; E27-A71 PolarHBondContact O-N 2.84Å
28A97.8Very high97.4Very high84 Ų8462.7 Ų62.769%0.69437%0.369SS*.EExtended strand (participates in β ladder)trans-65.6136.2174.600000110.4
29A98.1Very high97.4Very high36 Ų3667.4 Ų67.430%0.29838%0.378SS..  trans-145.6169178.800000111.2T31 P69 A71A29-T31 WeakPolarHBondContact CB-O 3.43Å; A29-P69 PolarHBondContact N-O 3.49Å; A29-P69 WeakPolarHBondContact O-CB 3.33Å; A29-A71 HydrophobicContact CB-CB 4.11Å
30E97.4Very high97.5Very high190 Ų19062.1 Ų62.189%0.88835%0.35SS*.SBendtrans-75.3-32.1174.3-65.4-172.4169.500112.4P69E30-P69 WeakPolarHBondContact O-CB 3.34Å
31T97.2Very high97.5Very high103 Ų10361.7 Ų61.763%0.63235%0.352SS*.SBendtrans-136158.3179.859.10000110.6A29A29-T31 WeakPolarHBondContact CB-O 3.43Å
32F98.3Very high97.4Very high47 Ų4766.1 Ų66.121%0.20637%0.371CS..  trans-68.9136.8174.2173.3-95.8000111.6L34 Y54 W57 V70 M72F32-L34 HydrophobicContact CE1-CB 4.2Å; F32-L34 HydrophobicContact CZ-CB 3.88Å; F32-Y54 HydrophobicContact CD1-CD2 4.49Å; F32-Y54 HydrophobicContact CD1-CE2 4.32Å; F32-Y54 AromaticContact CE1-CD2 3.49Å; F32-Y54 HydrophobicContact CE1-CD2 3.49Å; F32-Y54 VanDerWaalsContact CE1-CD2 3.49Å; F32-Y54 AromaticContact CE1-CE2 3.71Å; F32-Y54 HydrophobicContact CE1-CE2 3.71Å; F32-Y54 AromaticContact CZ-CD2 3.9Å; F32-Y54 HydrophobicContact CZ-CD2 3.9Å; F32-Y54 HydrophobicContact CZ-CE2 4.46Å; F32-W57 HydrophobicContact CB-CH2 3.83Å; F32-W57 HydrophobicContact CB-CZ2 3.49Å; F32-W57 VanDerWaalsContact CB-CZ2 3.49Å; F32-W57 HydrophobicContact CD1-CD2 4.41Å; F32-W57 HydrophobicContact CD1-CE3 4.15Å; F32-W57 HydrophobicContact CD1-CH2 4.08Å; F32-W57 HydrophobicContact CD1-CZ2 4.33Å; F32-W57 AromaticContact CD1-CZ3 3.98Å; F32-W57 HydrophobicContact CD1-CZ3 3.98Å; F32-W57 AromaticContact CD2-CD1 3.64Å; F32-W57 AromaticContact CD2-CD2 3.36Å; F32-W57 HydrophobicContact CD2-CD2 3.36Å; F32-W57 AromaticContact CD2-CE2 3.22Å; F32-W57 AromaticContact CD2-CE3 3.93Å; F32-W57 HydrophobicContact CD2-CE3 3.93Å; F32-W57 AromaticContact CD2-CG 3.66Å; F32-W57 HydrophobicContact CD2-CG 3.66Å; F32-W57 HydrophobicContact CD2-CH2 4.23Å; F32-W57 AromaticContact CD2-CZ2 3.7Å; F32-W57 HydrophobicContact CD2-CZ2 3.7Å; F32-W57 HydrophobicContact CD2-CZ3 4.32Å; F32-W57 AromaticContact CD2-NE1 3.39Å; F32-W57 HydrophobicContact CE1-CD2 4.43Å; F32-W57 HydrophobicContact CE1-CE3 4.07Å; F32-W57 HydrophobicContact CE1-CZ3 4.25Å; F32-W57 HydrophobicContact CE2-CB 3.85Å; F32-W57 AromaticContact CE2-CD1 3.69Å; F32-W57 AromaticContact CE2-CD2 3.36Å; F32-W57 HydrophobicContact CE2-CD2 3.36Å; F32-W57 AromaticContact CE2-CE2 3.78Å; F32-W57 AromaticContact CE2-CE3 3.81Å; F32-W57 HydrophobicContact CE2-CE3 3.81Å; F32-W57 AromaticContact CE2-CG 3.35Å; F32-W57 HydrophobicContact CE2-CG 3.35Å; F32-W57 AromaticContact CE2-NE1 3.93Å; F32-W57 AromaticContact CG-CD2 3.89Å; F32-W57 HydrophobicContact CG-CD2 3.89Å; F32-W57 AromaticContact CG-CE2 3.61Å; F32-W57 HydrophobicContact CG-CE3 4.06Å; F32-W57 AromaticContact CG-CH2 3.76Å; F32-W57 HydrophobicContact CG-CH2 3.76Å; F32-W57 AromaticContact CG-CZ2 3.56Å; F32-W57 HydrophobicContact CG-CZ2 3.56Å; F32-W57 HydrophobicContact CG-CZ3 4Å; F32-W57 HydrophobicContact CZ-CB 4.36Å; F32-W57 AromaticContact CZ-CD2 3.93Å; F32-W57 HydrophobicContact CZ-CD2 3.93Å; F32-W57 AromaticContact CZ-CE3 3.88Å; F32-W57 HydrophobicContact CZ-CE3 3.88Å; F32-W57 HydrophobicContact CZ-CG 4.14Å; F32-V70 VanDerWaalsContact CA-O 3.29Å; F32-V70 WeakPolarHBondContact CA-O 3.46Å; F32-V70 HydrophobicContact CD2-CG2 4.16Å; F32-M72 HydrophobicContact CE2-CG 4.14Å; F32-M72 HydrophobicContact CE2-SD 3.84Å
33S98.1Very high97.2Very high46 Ų4670 Ų7032%0.32239%0.387SS..EExtended strand (participates in β ladder)trans-145.5150.7168.257.10000110.7V70 M72S33-V70 PolarHBondContact N-O 3.49Å; S33-M72 PolarHBondContact O-N 2.89Å
34L98.4Very high97Very high32 Ų3269.5 Ų69.517%0.16838%0.383CS..EExtended strand (participates in β ladder)trans-130117.1175.8176.861000110F32 N51 V53 M72 L74F32-L34 HydrophobicContact CE1-CB 4.2Å; F32-L34 HydrophobicContact CZ-CB 3.88Å; L34-N51 HydrophobicContact CD2-CB 4Å; L34-V53 HydrophobicContact CD1-CB 4.19Å; L34-V53 HydrophobicContact CD1-CG1 3.68Å; L34-V53 HydrophobicContact CD2-CB 4.19Å; L34-V53 HydrophobicContact CD2-CG1 4.39Å; L34-M72 CarbonylContact C-O 3.59Å; L34-M72 WeakPolarHBondContact CA-O 3.42Å; L34-M72 HydrophobicContact CD1-CB 3.88Å; L34-L74 HydrophobicContact CD1-CB 4.49Å
35N97.6Very high96.8Very high90 Ų9071.1 Ų71.148%0.48139%0.394SS..EExtended strand (participates in β ladder)trans-103.9146.4172.4-62.8-51000110.3M72 T73 L74N35-M72 PolarHBondContact N-O 3.24Å; N35-T73 HydrophobicContact CB-CG2 4.38Å; N35-T73 CarbonylContact O-C 3.57Å; N35-T73 WeakPolarHBondContact O-CA 3.2Å; N35-L74 PolarHBondContact O-N 3.04Å
36N98Very high96.5Very high62 Ų6273.9 Ų73.933%0.33242%0.416SS..EExtended strand (participates in β ladder)trans-119.7128.9177.4-57-62.8000110A41 L44 N51 L74N36-A41 HydrophobicContact CB-CB 4.44Å; N36-L44 HydrophobicContact CB-CD1 3.65Å; N36-N51 PolarHBondContact OD1-ND2 3.48Å; N36-L74 CarbonylContact C-O 3.6Å; N36-L74 WeakPolarHBondContact CA-O 3.28Å
37L97.2Very high96.4Very high101 Ų10176.8 Ų76.853%0.52943%0.428SS..EExtended strand (participates in β ladder)trans-129180176.9-59.5179.2000109.3A41 T73 L74 E75 K76L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-T73 HydrophobicContact CD1-CG2 3.63Å; L37-T73 HydrophobicContact CG-CG2 3.9Å; L37-L74 PolarHBondContact N-O 3.13Å; L37-E75 HydrophobicContact CB-CG 4.3Å; L37-E75 CarbonylContact O-C 3.45Å; L37-E75 WeakPolarHBondContact O-CA 3.29Å; L37-K76 PolarHBondContact O-N 3.25Å
38G96.2Very high96.1Very high32 Ų3274.8 Ų74.833%0.3343%0.425SS..SBendtrans95167.7173.700000114.2F40 A41 K76G38-F40 PolarHBondContact O-N 3.49Å; G38-F40 VanDerWaalsContact O-N 3.14Å; G38-A41 WeakPolarHBondContact O-CB 3.35Å; G38-A41 PolarHBondContact O-N 2.87Å; G38-K76 CarbonylContact C-O 3.17Å
39R95.1Very high95.9Very high136 Ų13679 Ų7951%0.51342%0.423SS..THydrogen-bonded Turntrans-57.4-30.7-170.8-179.5177.4178.5-171.51.7114K76 Q279 E280R39-K76 PolarHBondContact N-O 2.97Å; R39-Q279 PolarHBondContact NH2-O 3.17Å; R39-E280 PolarHBondContact NH2-O 3.32Å
40F96Very high95.8Very high6 Ų683 Ų833%0.02644%0.436CS..THydrogen-bonded Turntrans-114.319.2-175.2-59.7-78.2000112.9G38 D42 K43 K76 N77 P79G38-F40 PolarHBondContact O-N 3.49Å; G38-F40 VanDerWaalsContact O-N 3.14Å; F40-D42 PolarHBondContact O-N 2.89Å; F40-K43 HydrophobicContact CB-CG 4.43Å; F40-K43 HydrophobicContact CD1-CG 4.47Å; F40-K43 WeakPolarHBondContact O-CB 3.46Å; F40-K43 PolarHBondContact O-N 3.34Å; F40-K43 VanDerWaalsContact O-N 3.09Å; F40-K76 HydrophobicContact CB-CG 4.11Å; F40-K76 PolarHBondContact N-O 3.2Å; F40-N77 VanDerWaalsContact CD2-O 3.29Å; F40-N77 WeakPolarHBondContact CD2-O 3.41Å; F40-N77 VanDerWaalsContact CE2-O 3.23Å; F40-N77 WeakPolarHBondContact CE2-O 3.47Å; F40-P79 HydrophobicContact CD1-CB 4.16Å; F40-P79 HydrophobicContact CD2-CB 4.4Å; F40-P79 HydrophobicContact CE1-CB 3.76Å; F40-P79 HydrophobicContact CE2-CB 4.03Å; F40-P79 HydrophobicContact CE2-CG 4.18Å; F40-P79 HydrophobicContact CG-CB 4.45Å; F40-P79 HydrophobicContact CZ-CB 3.69Å; F40-P79 HydrophobicContact CZ-CG 4.05Å
41A96Very high95.7Very high27 Ų2774.1 Ų74.122%0.22339%0.394CS..G310 helixtrans-59.3-34.9178.200000112.7N36 L37 G38 K43 L44N36-A41 HydrophobicContact CB-CB 4.44Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; G38-A41 WeakPolarHBondContact O-CB 3.35Å; G38-A41 PolarHBondContact O-N 2.87Å; A41-K43 PolarHBondContact O-N 2.87Å; A41-L44 WeakPolarHBondContact O-CB 3.36Å; A41-L44 PolarHBondContact O-N 2.98Å
42D94.6Very high95.6Very high114 Ų11470.1 Ų70.161%0.6137%0.369SS*.G310 helixtrans-66.1-13.417872.9-46.1000113.5F40F40-D42 PolarHBondContact O-N 2.89Å
43K93.4Very high95.6Very high99 Ų9967.9 Ų67.943%0.4336%0.359SS..G310 helixtrans-93.4-5.5177.7-51.5-50.5-174.8-148.80113.4F40 A41 I80F40-K43 HydrophobicContact CB-CG 4.43Å; F40-K43 HydrophobicContact CD1-CG 4.47Å; F40-K43 WeakPolarHBondContact O-CB 3.46Å; F40-K43 PolarHBondContact O-N 3.34Å; F40-K43 VanDerWaalsContact O-N 3.09Å; A41-K43 PolarHBondContact O-N 2.87Å; K43-I80 HydrophobicContact CB-CD1 3.94Å; K43-I80 WeakPolarHBondContact O-CD1 3.47Å
44L95.2Very high95.6Very high24 Ų2467.2 Ų67.213%0.12635%0.35CS..SBendtrans-73.3157.6179.3-67.2168.1000111.4N36 A41 S46 L74 K76 I80N36-L44 HydrophobicContact CB-CD1 3.65Å; A41-L44 WeakPolarHBondContact O-CB 3.36Å; A41-L44 PolarHBondContact O-N 2.98Å; L44-S46 PolarHBondContact O-N 3.38Å; L44-L74 HydrophobicContact CD1-CD2 3.9Å; L44-L74 HydrophobicContact CD2-CD2 4.15Å; L44-K76 HydrophobicContact CD1-CB 4.21Å; L44-K76 HydrophobicContact CD1-CG 4.45Å; L44-K76 HydrophobicContact CD2-CD 4.12Å; L44-K76 HydrophobicContact CD2-CG 4.18Å; L44-K76 HydrophobicContact CG-CG 4.37Å; L44-I80 HydrophobicContact CD2-CD1 4.07Å
45P93.8Very high95.6Very high53 Ų5367.6 Ų67.634%0.34435%0.35SS..  trans-55.5138.3174.8-24.534.6000111.9E47 E50P45-E47 VanDerWaalsContact C-N 3.34Å; P45-E50 HydrophobicContact CB-CB 3.65Å; P45-E50 HydrophobicContact CG-CB 4.14Å
46S91.8Very high95.6Very high123 Ų12363.3 Ų63.386%0.8633%0.328SS*.SBendtrans-73.1-27.5177.655.60000112.9L44 P48L44-S46 PolarHBondContact O-N 3.38Å; S46-P48 WeakPolarHBondContact O-CD 3.49Å
47E95.4Very high95.6Very high85 Ų8561.1 Ų61.140%0.39732%0.315SS..SBendtrans-81.1115.8173.217249.1-121.900109.4P45 R49 E50P45-E47 VanDerWaalsContact C-N 3.34Å; E47-R49 HydrophobicContact CG-CB 4.32Å; E47-R49 PolarHBondContact O-N 3.36Å; E47-R49 VanDerWaalsContact O-N 3.13Å; E47-R49 PolarHBondContact OE1-N 3.46Å; E47-R49 VanDerWaalsContact OE1-N 3.11Å; E47-E50 HydrophobicContact CB-CB 4.31Å; E47-E50 HydrophobicContact CB-CG 3.98Å; E47-E50 HydrophobicContact CG-CB 4.46Å; E47-E50 HydrophobicContact CG-CG 3.89Å; E47-E50 WeakPolarHBondContact O-CB 3.3Å; E47-E50 PolarHBondContact O-N 3.34Å
48P92Very high95.7Very high80 Ų8059.2 Ų59.252%0.51930%0.303SS..G310 helixtrans-54.5-34.7-176.8-29.536.5000114.5S46 E50 N51 Y54S46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 2.87Å; P48-N51 VanDerWaalsContact O-CB 3.27Å; P48-N51 WeakPolarHBondContact O-CB 3.29Å; P48-N51 PolarHBondContact O-N 3.46Å; P48-Y54 WeakPolarHBondContact O-CB 3.46Å
49R94.7Very high95.8Very high173 Ų17358.9 Ų58.965%0.65329%0.292SS*.G310 helixtrans-70.3-22.4179.5-66.1-176.1174.7-176.40.2113.9E47 N51 Y54E47-R49 HydrophobicContact CG-CB 4.32Å; E47-R49 PolarHBondContact O-N 3.36Å; E47-R49 VanDerWaalsContact O-N 3.13Å; E47-R49 PolarHBondContact OE1-N 3.46Å; E47-R49 VanDerWaalsContact OE1-N 3.11Å; R49-N51 VanDerWaalsContact C-N 3.3Å; R49-Y54 HydrophobicContact CB-CD1 4.35Å; R49-Y54 HydrophobicContact CB-CE1 4.18Å; R49-Y54 HydrophobicContact CG-CD1 4.48Å; R49-Y54 HydrophobicContact CG-CE1 3.94Å; R49-Y54 HydrophobicContact CG-CE2 4.34Å
50E94.4Very high95.9Very high121 Ų12152.4 Ų52.457%0.56527%0.267SS*.G310 helixtrans-80.2-15.1175.4-67.6-177.6176.200112P45 E47 P48 I52 Q55P45-E50 HydrophobicContact CB-CB 3.65Å; P45-E50 HydrophobicContact CG-CB 4.14Å; E47-E50 HydrophobicContact CB-CB 4.31Å; E47-E50 HydrophobicContact CB-CG 3.98Å; E47-E50 HydrophobicContact CG-CB 4.46Å; E47-E50 HydrophobicContact CG-CG 3.89Å; E47-E50 WeakPolarHBondContact O-CB 3.3Å; E47-E50 PolarHBondContact O-N 3.34Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 2.87Å; E50-I52 PolarHBondContact O-N 2.93Å; E50-Q55 PolarHBondContact O-NE2 3.16Å
51N95.9Very high96Very high2 Ų252.3 Ų52.31%0.01127%0.267CS..SBendtrans-63.7129.1176.1-170.9-45.2000110.7L34 N36 P48 R49 V53 Y54 Q55L34-N51 HydrophobicContact CD2-CB 4Å; N36-N51 PolarHBondContact OD1-ND2 3.48Å; P48-N51 VanDerWaalsContact O-CB 3.27Å; P48-N51 WeakPolarHBondContact O-CB 3.29Å; P48-N51 PolarHBondContact O-N 3.46Å; R49-N51 VanDerWaalsContact C-N 3.3Å; N51-V53 VanDerWaalsContact C-N 3.26Å; N51-V53 PolarHBondContact O-N 3.4Å; N51-V53 PolarHBondContact OD1-N 3.34Å; N51-Y54 VanDerWaalsContact O-CB 3.29Å; N51-Y54 WeakPolarHBondContact O-CB 3.12Å; N51-Y54 PolarHBondContact O-N 3.47Å; N51-Y54 VanDerWaalsContact O-N 3.09Å; N51-Q55 PolarHBondContact O-N 3.37Å; N51-Q55 VanDerWaalsContact O-N 3.08Å
52I95.7Very high96.2Very high19 Ų1956.1 Ų56.110%0.09728%0.281CS..Hα-helixtrans-57-36.8-178.8-167.3174.4000113.2E50 Q55 C56 V91 I122E50-I52 PolarHBondContact O-N 2.93Å; I52-Q55 PolarHBondContact O-N 3.03Å; I52-C56 PolarHBondContact O-N 3.15Å; I52-C56 PolarHBondContact O-SG 2.71Å; I52-V91 HydrophobicContact CD1-CB 4.49Å; I52-V91 HydrophobicContact CD1-CG2 3.19Å; I52-V91 HydrophobicContact CG1-CG2 3.73Å; I52-I122 HydrophobicContact CD1-CD1 3.1Å; I52-I122 HydrophobicContact CD1-CG1 4.45Å; I52-I122 HydrophobicContact CG1-CD1 3.68Å
53V97.8Very high96.3Very high0 Ų053.4 Ų53.40%026%0.264CS..Hα-helixtrans-70.2-35.9179.8174.80000110.8V24 L34 N51 Q55 C56 W57 M72 L74 A94V24-V53 HydrophobicContact CG2-CG2 4.39Å; L34-V53 HydrophobicContact CD1-CB 4.19Å; L34-V53 HydrophobicContact CD1-CG1 3.68Å; L34-V53 HydrophobicContact CD2-CB 4.19Å; L34-V53 HydrophobicContact CD2-CG1 4.39Å; N51-V53 VanDerWaalsContact C-N 3.26Å; N51-V53 PolarHBondContact O-N 3.4Å; N51-V53 PolarHBondContact OD1-N 3.34Å; V53-Q55 VanDerWaalsContact C-N 3.35Å; V53-C56 WeakPolarHBondContact O-CB 3.44Å; V53-C56 PolarHBondContact O-N 3Å; V53-W57 PolarHBondContact O-N 2.76Å; V53-M72 HydrophobicContact CG1-CE 3.49Å; V53-M72 VanDerWaalsContact CG1-CE 3.49Å; V53-M72 HydrophobicContact CG1-SD 4.22Å; V53-L74 HydrophobicContact CG2-CB 4.17Å; V53-L74 HydrophobicContact CG2-CD1 4.04Å; V53-L74 HydrophobicContact CG2-CD2 3.76Å; V53-L74 HydrophobicContact CG2-CG 4.2Å; V53-A94 HydrophobicContact CB-CB 4.35Å; V53-A94 HydrophobicContact CG1-CB 3.93Å; V53-A94 HydrophobicContact CG2-CB 4.11Å
54Y98.2Very high96.5Very high32 Ų3251 Ų5113%0.12526%0.256CS..Hα-helixtrans-59.4-48.2170177.8-78.7000110.4F32 P48 R49 N51 C56 W57 E58F32-Y54 HydrophobicContact CD1-CD2 4.49Å; F32-Y54 HydrophobicContact CD1-CE2 4.32Å; F32-Y54 AromaticContact CE1-CD2 3.49Å; F32-Y54 HydrophobicContact CE1-CD2 3.49Å; F32-Y54 VanDerWaalsContact CE1-CD2 3.49Å; F32-Y54 AromaticContact CE1-CE2 3.71Å; F32-Y54 HydrophobicContact CE1-CE2 3.71Å; F32-Y54 AromaticContact CZ-CD2 3.9Å; F32-Y54 HydrophobicContact CZ-CD2 3.9Å; F32-Y54 HydrophobicContact CZ-CE2 4.46Å; P48-Y54 WeakPolarHBondContact O-CB 3.46Å; R49-Y54 HydrophobicContact CB-CD1 4.35Å; R49-Y54 HydrophobicContact CB-CE1 4.18Å; R49-Y54 HydrophobicContact CG-CD1 4.48Å; R49-Y54 HydrophobicContact CG-CE1 3.94Å; R49-Y54 HydrophobicContact CG-CE2 4.34Å; N51-Y54 VanDerWaalsContact O-CB 3.29Å; N51-Y54 WeakPolarHBondContact O-CB 3.12Å; N51-Y54 PolarHBondContact O-N 3.47Å; N51-Y54 VanDerWaalsContact O-N 3.09Å; Y54-C56 VanDerWaalsContact C-N 3.3Å; Y54-C56 PolarHBondContact O-N 3.44Å; Y54-W57 HydrophobicContact CE2-CE3 4.39Å; Y54-W57 HydrophobicContact CE2-CZ3 4.15Å; Y54-W57 PolarHBondContact O-N 2.92Å; Y54-E58 HydrophobicContact CE1-CB 4.34Å; Y54-E58 PolarHBondContact O-N 3.33Å
55Q97.8Very high96.7Very high40 Ų4053.2 Ų53.219%0.18729%0.285CS..Hα-helixtrans-63.7-35.3178.8-63.5-177.545.700112.2E50 N51 I52 V53 R59 L118E50-Q55 PolarHBondContact O-NE2 3.16Å; N51-Q55 PolarHBondContact O-N 3.37Å; N51-Q55 VanDerWaalsContact O-N 3.08Å; I52-Q55 PolarHBondContact O-N 3.03Å; V53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-R59 WeakPolarHBondContact O-CB 3.35Å; Q55-R59 PolarHBondContact O-N 2.92Å; Q55-L118 HydrophobicContact CB-CD2 4.12Å
56C98.5Very high96.8Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-61.4-49.9173.5-66.10000111.2I52 V53 Y54 R59 F60 A94 L95 L118I52-C56 PolarHBondContact O-N 3.15Å; I52-C56 PolarHBondContact O-SG 2.71Å; V53-C56 WeakPolarHBondContact O-CB 3.44Å; V53-C56 PolarHBondContact O-N 3Å; Y54-C56 VanDerWaalsContact C-N 3.3Å; Y54-C56 PolarHBondContact O-N 3.44Å; C56-R59 PolarHBondContact O-N 3.47Å; C56-F60 VanDerWaalsContact O-CB 3.23Å; C56-F60 WeakPolarHBondContact O-CB 3.43Å; C56-F60 PolarHBondContact O-N 2.96Å; C56-A94 HydrophobicContact CB-CB 3.63Å; C56-L95 HydrophobicContact CB-CD2 4.12Å; C56-L95 HydrophobicContact CB-CG 4.2Å; C56-L118 HydrophobicContact CB-CD1 4.25Å
57W98.6Very high97Very high17 Ų1757.3 Ų57.36%0.06428%0.283CS..Hα-helixtrans-58.7-49.5176.7166.781.7000111.6F32 V53 Y54 R59 F60 C61 I68 M72F32-W57 HydrophobicContact CB-CH2 3.83Å; F32-W57 HydrophobicContact CB-CZ2 3.49Å; F32-W57 VanDerWaalsContact CB-CZ2 3.49Å; F32-W57 HydrophobicContact CD1-CD2 4.41Å; F32-W57 HydrophobicContact CD1-CE3 4.15Å; F32-W57 HydrophobicContact CD1-CH2 4.08Å; F32-W57 HydrophobicContact CD1-CZ2 4.33Å; F32-W57 AromaticContact CD1-CZ3 3.98Å; F32-W57 HydrophobicContact CD1-CZ3 3.98Å; F32-W57 AromaticContact CD2-CD1 3.64Å; F32-W57 AromaticContact CD2-CD2 3.36Å; F32-W57 HydrophobicContact CD2-CD2 3.36Å; F32-W57 AromaticContact CD2-CE2 3.22Å; F32-W57 AromaticContact CD2-CE3 3.93Å; F32-W57 HydrophobicContact CD2-CE3 3.93Å; F32-W57 AromaticContact CD2-CG 3.66Å; F32-W57 HydrophobicContact CD2-CG 3.66Å; F32-W57 HydrophobicContact CD2-CH2 4.23Å; F32-W57 AromaticContact CD2-CZ2 3.7Å; F32-W57 HydrophobicContact CD2-CZ2 3.7Å; F32-W57 HydrophobicContact CD2-CZ3 4.32Å; F32-W57 AromaticContact CD2-NE1 3.39Å; F32-W57 HydrophobicContact CE1-CD2 4.43Å; F32-W57 HydrophobicContact CE1-CE3 4.07Å; F32-W57 HydrophobicContact CE1-CZ3 4.25Å; F32-W57 HydrophobicContact CE2-CB 3.85Å; F32-W57 AromaticContact CE2-CD1 3.69Å; F32-W57 AromaticContact CE2-CD2 3.36Å; F32-W57 HydrophobicContact CE2-CD2 3.36Å; F32-W57 AromaticContact CE2-CE2 3.78Å; F32-W57 AromaticContact CE2-CE3 3.81Å; F32-W57 HydrophobicContact CE2-CE3 3.81Å; F32-W57 AromaticContact CE2-CG 3.35Å; F32-W57 HydrophobicContact CE2-CG 3.35Å; F32-W57 AromaticContact CE2-NE1 3.93Å; F32-W57 AromaticContact CG-CD2 3.89Å; F32-W57 HydrophobicContact CG-CD2 3.89Å; F32-W57 AromaticContact CG-CE2 3.61Å; F32-W57 HydrophobicContact CG-CE3 4.06Å; F32-W57 AromaticContact CG-CH2 3.76Å; F32-W57 HydrophobicContact CG-CH2 3.76Å; F32-W57 AromaticContact CG-CZ2 3.56Å; F32-W57 HydrophobicContact CG-CZ2 3.56Å; F32-W57 HydrophobicContact CG-CZ3 4Å; F32-W57 HydrophobicContact CZ-CB 4.36Å; F32-W57 AromaticContact CZ-CD2 3.93Å; F32-W57 HydrophobicContact CZ-CD2 3.93Å; F32-W57 AromaticContact CZ-CE3 3.88Å; F32-W57 HydrophobicContact CZ-CE3 3.88Å; F32-W57 HydrophobicContact CZ-CG 4.14Å; V53-W57 PolarHBondContact O-N 2.76Å; Y54-W57 HydrophobicContact CE2-CE3 4.39Å; Y54-W57 HydrophobicContact CE2-CZ3 4.15Å; Y54-W57 PolarHBondContact O-N 2.92Å; W57-R59 VanDerWaalsContact C-N 3.34Å; W57-R59 PolarHBondContact O-N 3.31Å; W57-F60 PolarHBondContact O-N 2.75Å; W57-C61 PolarHBondContact NE1-SG 2.97Å; W57-C61 WeakPolarHBondContact O-CB 3.23Å; W57-C61 PolarHBondContact O-N 3.05Å; W57-C61 PolarHBondContact O-SG 2.89Å; W57-C61 VanDerWaalsContact O-SG 3.34Å; W57-I68 PolarHBondContact NE1-O 3.3Å; W57-M72 HydrophobicContact CB-SD 3.78Å; W57-M72 HydrophobicContact CG-SD 4.22Å
58E98.2Very high97.2Very high61 Ų6154 Ų5429%0.28527%0.269SS..Hα-helixtrans-59.7-46.1-179.8-174.3-179.7-113.600111.2Y54 F60 C61 Q62Y54-E58 HydrophobicContact CE1-CB 4.34Å; Y54-E58 PolarHBondContact O-N 3.33Å; E58-F60 PolarHBondContact O-N 2.84Å; E58-C61 PolarHBondContact O-N 3.42Å; E58-Q62 VanDerWaalsContact O-CG 3.28Å; E58-Q62 WeakPolarHBondContact O-CG 3.11Å; E58-Q62 PolarHBondContact O-N 3.46Å
59R98Very high97.5Very high24 Ų2453.2 Ų53.29%0.09126%0.263CS..Hα-helixtrans-67.3-35.4179.5-177.358.3-175.984.31.3112.8Q55 C56 W57 Q62 E63 L114 E117 L118Q55-R59 WeakPolarHBondContact O-CB 3.35Å; Q55-R59 PolarHBondContact O-N 2.92Å; C56-R59 PolarHBondContact O-N 3.47Å; W57-R59 VanDerWaalsContact C-N 3.34Å; W57-R59 PolarHBondContact O-N 3.31Å; R59-Q62 WeakPolarHBondContact O-CB 3.28Å; R59-Q62 PolarHBondContact O-N 2.92Å; R59-E63 IonicContact CZ-OE2 3.39Å; R59-E63 IonicContact NH1-OE2 3.66Å; R59-E63 PolarHBondContact NH1-OE2 3.41Å; R59-E63 IonicContact NH2-OE2 2.92Å; R59-E63 PolarHBondContact NH2-OE2 3.01Å; R59-E63 PolarHBondContact O-N 2.93Å; R59-L114 HydrophobicContact CG-CD2 4.42Å; R59-E117 IonicContact CZ-OE2 3.91Å; R59-E117 VanDerWaalsContact CZ-OE2 3.3Å; R59-E117 VanDerWaalsContact NE-CD 3.35Å; R59-E117 IonicContact NE-OE1 2.92Å; R59-E117 PolarHBondContact NE-OE1 2.92Å; R59-E117 IonicContact NE-OE2 3.48Å; R59-E117 PolarHBondContact NE-OE2 3.4Å; R59-E117 IonicContact NH2-OE2 2.74Å; R59-E117 PolarHBondContact NH2-OE2 2.98Å; R59-L118 HydrophobicContact CB-CD2 4.23Å
60F98.6Very high97.6Very high0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-68.2-43.2175-173.7-88.3000111.5C56 W57 E58 Q62 E63 L64 L95 M98 N99 C102 P105 L106C56-F60 VanDerWaalsContact O-CB 3.23Å; C56-F60 WeakPolarHBondContact O-CB 3.43Å; C56-F60 PolarHBondContact O-N 2.96Å; W57-F60 PolarHBondContact O-N 2.75Å; E58-F60 PolarHBondContact O-N 2.84Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 2.96Å; F60-E63 WeakPolarHBondContact O-CB 3.42Å; F60-E63 PolarHBondContact O-N 3.26Å; F60-E63 VanDerWaalsContact O-N 3.15Å; F60-L64 HydrophobicContact CD1-CD1 4.06Å; F60-L64 HydrophobicContact CD1-CG 4.32Å; F60-L64 HydrophobicContact CE1-CD1 3.34Å; F60-L64 HydrophobicContact CE1-CG 3.93Å; F60-L64 HydrophobicContact CZ-CD1 3.85Å; F60-L64 HydrophobicContact CZ-CG 4.29Å; F60-L64 PolarHBondContact O-N 3.25Å; F60-L95 HydrophobicContact CB-CD2 4.02Å; F60-L95 HydrophobicContact CD2-CD2 4.12Å; F60-M98 HydrophobicContact CD1-CB 3.82Å; F60-M98 HydrophobicContact CD1-CE 3.73Å; F60-M98 HydrophobicContact CD1-CG 4.47Å; F60-M98 HydrophobicContact CD2-CB 4.04Å; F60-M98 HydrophobicContact CE1-CB 3.94Å; F60-M98 HydrophobicContact CE1-CE 4.1Å; F60-M98 HydrophobicContact CE2-CB 4.16Å; F60-M98 HydrophobicContact CG-CB 3.88Å; F60-M98 HydrophobicContact CZ-CB 4.12Å; F60-N99 HydrophobicContact CE2-CB 3.95Å; F60-N99 HydrophobicContact CZ-CB 4.29Å; F60-C102 HydrophobicContact CE1-CB 4.32Å; F60-C102 HydrophobicContact CZ-CB 4.33Å; F60-P105 HydrophobicContact CZ-CG 4.05Å; F60-L106 HydrophobicContact CD2-CD1 4.03Å; F60-L106 HydrophobicContact CE2-CD1 3.71Å; F60-L106 HydrophobicContact CE2-CG 4.3Å
61C98.5Very high97.8Very high4 Ų440.1 Ų40.13%0.02721%0.212CC..Hα-helixtrans-60.3-41.1172.7-730000112.1W57 E58 E63 L64 G65 K66 I68W57-C61 PolarHBondContact NE1-SG 2.97Å; W57-C61 WeakPolarHBondContact O-CB 3.23Å; W57-C61 PolarHBondContact O-N 3.05Å; W57-C61 PolarHBondContact O-SG 2.89Å; W57-C61 VanDerWaalsContact O-SG 3.34Å; E58-C61 PolarHBondContact O-N 3.42Å; C61-E63 VanDerWaalsContact C-N 3.34Å; C61-L64 PolarHBondContact O-N 2.88Å; C61-G65 PolarHBondContact O-N 3.48Å; C61-K66 CarbonylContact C-O 3.59Å; C61-K66 WeakPolarHBondContact CA-O 3.27Å; C61-K66 WeakPolarHBondContact CB-O 3.4Å; C61-K66 PolarHBondContact O-N 3.07Å; C61-K66 VanDerWaalsContact O-N 3.15Å; C61-K66 VanDerWaalsContact O-O 3.13Å; C61-I68 PolarHBondContact SG-N 3.36Å; C61-I68 VanDerWaalsContact SG-N 3.36Å
62Q98.3Very high98Very high108 Ų10840 Ų4051%0.50521%0.212SC..Hα-helixtrans-60.7-42.6173.1-72.6166.85.500111.7E58 R59 F60 L64 G65E58-Q62 VanDerWaalsContact O-CG 3.28Å; E58-Q62 WeakPolarHBondContact O-CG 3.11Å; E58-Q62 PolarHBondContact O-N 3.46Å; R59-Q62 WeakPolarHBondContact O-CB 3.28Å; R59-Q62 PolarHBondContact O-N 2.92Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 2.96Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.41Å; Q62-G65 PolarHBondContact O-N 2.86Å
63E98.1Very high98.1Very high57 Ų5740.6 Ų40.627%0.26622%0.216SC..Hα-helixtrans-61.3-41.9177.6-169.266.6-164.800112.2R59 F60 C61 G65 L106 R110 L114R59-E63 IonicContact CZ-OE2 3.39Å; R59-E63 IonicContact NH1-OE2 3.66Å; R59-E63 PolarHBondContact NH1-OE2 3.41Å; R59-E63 IonicContact NH2-OE2 2.92Å; R59-E63 PolarHBondContact NH2-OE2 3.01Å; R59-E63 PolarHBondContact O-N 2.93Å; F60-E63 WeakPolarHBondContact O-CB 3.42Å; F60-E63 PolarHBondContact O-N 3.26Å; F60-E63 VanDerWaalsContact O-N 3.15Å; C61-E63 VanDerWaalsContact C-N 3.34Å; E63-G65 VanDerWaalsContact C-N 3.28Å; E63-G65 PolarHBondContact O-N 3.09Å; E63-L106 HydrophobicContact CG-CD1 3.9Å; E63-L106 HydrophobicContact CG-CD2 3.88Å; E63-R110 IonicContact OE1-CZ 3.61Å; E63-R110 VanDerWaalsContact OE1-CZ 3.22Å; E63-R110 IonicContact OE1-NE 3.7Å; E63-R110 PolarHBondContact OE1-NE 3.37Å; E63-R110 IonicContact OE1-NH2 2.76Å; E63-R110 PolarHBondContact OE1-NH2 2.98Å; E63-R110 IonicContact OE2-CZ 2.71Å; E63-R110 IonicContact OE2-NE 2.74Å; E63-R110 IonicContact OE2-NH2 3.22Å; E63-R110 PolarHBondContact OE2-NH2 3.25Å; E63-L114 HydrophobicContact CB-CD1 4.34Å; E63-L114 HydrophobicContact CG-CD1 4.13Å
64L97.7Very high98.1Very high47 Ų4740.6 Ų40.625%0.24622%0.216CC..Hα-helixtrans-81.1-7178.2-62-168.2000113.8F60 C61 Q62 K66 I68 C102 P105 L106F60-L64 HydrophobicContact CD1-CD1 4.06Å; F60-L64 HydrophobicContact CD1-CG 4.32Å; F60-L64 HydrophobicContact CE1-CD1 3.34Å; F60-L64 HydrophobicContact CE1-CG 3.93Å; F60-L64 HydrophobicContact CZ-CD1 3.85Å; F60-L64 HydrophobicContact CZ-CG 4.29Å; F60-L64 PolarHBondContact O-N 3.25Å; C61-L64 PolarHBondContact O-N 2.88Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.41Å; L64-K66 HydrophobicContact CB-CG 4.24Å; L64-K66 PolarHBondContact O-N 3.01Å; L64-I68 HydrophobicContact CD1-CD1 4.32Å; L64-C102 HydrophobicContact CD1-CB 4.43Å; L64-P105 HydrophobicContact CD1-CG 4.08Å; L64-P105 HydrophobicContact CD2-CB 3.91Å; L64-P105 HydrophobicContact CD2-CG 3.84Å; L64-L106 HydrophobicContact CD2-CD2 4.2Å
65G98Very high98.1Very high71 Ų7142.8 Ų42.873%0.73223%0.228SC*.THydrogen-bonded Turntrans65.318.9-176.700000114.4C61 Q62 E63C61-G65 PolarHBondContact O-N 3.48Å; Q62-G65 PolarHBondContact O-N 2.86Å; E63-G65 VanDerWaalsContact C-N 3.28Å; E63-G65 PolarHBondContact O-N 3.09Å
66K96.9Very high98.1Very high134 Ų13441.1 Ų41.158%0.58322%0.22SC*.SBendtrans-149.5149.417965.5178.6-179.2179.10111.8C61 L64 I68C61-K66 CarbonylContact C-O 3.59Å; C61-K66 WeakPolarHBondContact CA-O 3.27Å; C61-K66 WeakPolarHBondContact CB-O 3.4Å; C61-K66 PolarHBondContact O-N 3.07Å; C61-K66 VanDerWaalsContact O-N 3.15Å; C61-K66 VanDerWaalsContact O-O 3.13Å; L64-K66 HydrophobicContact CB-CG 4.24Å; L64-K66 PolarHBondContact O-N 3.01Å; K66-I68 HydrophobicContact CD-CD1 4.01Å; K66-I68 VanDerWaalsContact CE-CD1 3.49Å; K66-I68 HydrophobicContact CG-CD1 3.76Å
67Q97Very high98Very high128 Ų12843.6 Ų43.660%0.59823%0.233SC*.  trans-75.3129.9172.7-74.4-68.6-11.900110.4
68I98.1Very high98Very high17 Ų1743 Ų439%0.08723%0.231CC..  trans-108.3107.1177.8-50.1-62.4000108.1W57 C61 L64 K66 V70 M98W57-I68 PolarHBondContact NE1-O 3.3Å; C61-I68 PolarHBondContact SG-N 3.36Å; C61-I68 VanDerWaalsContact SG-N 3.36Å; L64-I68 HydrophobicContact CD1-CD1 4.32Å; K66-I68 HydrophobicContact CD-CD1 4.01Å; K66-I68 VanDerWaalsContact CE-CD1 3.49Å; K66-I68 HydrophobicContact CG-CD1 3.76Å; I68-V70 HydrophobicContact CG2-CG1 3.98Å; I68-V70 PolarHBondContact O-N 2.92Å; I68-M98 HydrophobicContact CB-CE 3.91Å; I68-M98 HydrophobicContact CG1-CE 4.29Å; I68-M98 HydrophobicContact CG2-CE 3.94Å
69P97.7Very high97.9Very high63 Ų6340.2 Ų40.241%0.40922%0.218SC..  trans-79.3112.9-178.832.3-33.8000110.6A29 E30A29-P69 PolarHBondContact N-O 3.49Å; A29-P69 WeakPolarHBondContact O-CB 3.33Å; E30-P69 WeakPolarHBondContact O-CB 3.34Å
70V98.6Very high97.7Very high0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-141.6149.4-177.4-72.80000111.7V26 E27 F32 S33 I68 M72 M98 H101V26-V70 HydrophobicContact CG1-CB 3.79Å; V26-V70 HydrophobicContact CG1-CG1 3.66Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; E27-V70 CarbonylContact O-C 3.5Å; E27-V70 WeakPolarHBondContact O-CA 3.47Å; E27-V70 VanDerWaalsContact O-CB 3.3Å; E27-V70 WeakPolarHBondContact O-CB 3.33Å; F32-V70 VanDerWaalsContact CA-O 3.29Å; F32-V70 WeakPolarHBondContact CA-O 3.46Å; F32-V70 HydrophobicContact CD2-CG2 4.16Å; S33-V70 PolarHBondContact N-O 3.49Å; I68-V70 HydrophobicContact CG2-CG1 3.98Å; I68-V70 PolarHBondContact O-N 2.92Å; V70-M72 HydrophobicContact CG2-CG 3.79Å; V70-M72 HydrophobicContact CG2-SD 4.27Å; V70-M98 HydrophobicContact CG2-CE 4.34Å; V70-M98 HydrophobicContact CG2-SD 3.9Å; V70-H101 WeakPolarHBondContact CG1-NE2 3.3Å
71A98.5Very high97.5Very high18 Ų1842.7 Ų42.715%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-89.4115162.100000108.5E27 A29E27-A71 HydrophobicContact CB-CB 4.48Å; E27-A71 PolarHBondContact N-O 2.92Å; E27-A71 PolarHBondContact O-N 2.84Å; A29-A71 HydrophobicContact CB-CB 4.11Å
72M98.6Very high97.4Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-103.7140.5175.9-63.3-171.57300110.5V24 T25 V26 F32 S33 L34 N35 V53 W57 V70 A94 M98V24-M72 HydrophobicContact CG1-CE 3.74Å; T25-M72 CarbonylContact O-C 3.58Å; T25-M72 VanDerWaalsContact O-CA 3.3Å; T25-M72 WeakPolarHBondContact O-CA 3.42Å; V26-M72 HydrophobicContact CG2-CE 3.86Å; V26-M72 HydrophobicContact CG2-CG 4.15Å; F32-M72 HydrophobicContact CE2-CG 4.14Å; F32-M72 HydrophobicContact CE2-SD 3.84Å; S33-M72 PolarHBondContact O-N 2.89Å; L34-M72 CarbonylContact C-O 3.59Å; L34-M72 WeakPolarHBondContact CA-O 3.42Å; L34-M72 HydrophobicContact CD1-CB 3.88Å; N35-M72 PolarHBondContact N-O 3.24Å; V53-M72 HydrophobicContact CG1-CE 3.49Å; V53-M72 VanDerWaalsContact CG1-CE 3.49Å; V53-M72 HydrophobicContact CG1-SD 4.22Å; W57-M72 HydrophobicContact CB-SD 3.78Å; W57-M72 HydrophobicContact CG-SD 4.22Å; V70-M72 HydrophobicContact CG2-CG 3.79Å; V70-M72 HydrophobicContact CG2-SD 4.27Å; M72-A94 HydrophobicContact CE-CB 4.18Å; M72-M98 HydrophobicContact CE-CG 4.15Å; M72-M98 HydrophobicContact CE-SD 4.34Å; M72-M98 HydrophobicContact SD-CG 4.47Å; M72-M98 HydrophobicContact SD-SD 4.05Å
73T98.4Very high97.3Very high31 Ų3137.8 Ų37.819%0.1922%0.215CC..EExtended strand (participates in β ladder)trans-126.9122.2170.2-59.80000109.4V24 T25 N35 L37V24-T73 VanDerWaalsContact CA-O 3.31Å; V24-T73 WeakPolarHBondContact CA-O 3.29Å; T25-T73 PolarHBondContact N-O 3.36Å; T25-T73 PolarHBondContact O-N 2.74Å; N35-T73 HydrophobicContact CB-CG2 4.38Å; N35-T73 CarbonylContact O-C 3.57Å; N35-T73 WeakPolarHBondContact O-CA 3.2Å; L37-T73 HydrophobicContact CD1-CG2 3.63Å; L37-T73 HydrophobicContact CG-CG2 3.9Å
74L98.4Very high97.2Very high0 Ų036.1 Ų36.10%021%0.208CC..EExtended strand (participates in β ladder)trans-95.7118170.2169.263.7000109.2D22 V24 L34 N35 N36 L37 L44 V53 K76D22-L74 HydrophobicContact CB-CD1 4.21Å; V24-L74 HydrophobicContact CG2-CD1 3.84Å; L34-L74 HydrophobicContact CD1-CB 4.49Å; N35-L74 PolarHBondContact O-N 3.04Å; N36-L74 CarbonylContact C-O 3.6Å; N36-L74 WeakPolarHBondContact CA-O 3.28Å; L37-L74 PolarHBondContact N-O 3.13Å; L44-L74 HydrophobicContact CD1-CD2 3.9Å; L44-L74 HydrophobicContact CD2-CD2 4.15Å; V53-L74 HydrophobicContact CG2-CB 4.17Å; V53-L74 HydrophobicContact CG2-CD1 4.04Å; V53-L74 HydrophobicContact CG2-CD2 3.76Å; V53-L74 HydrophobicContact CG2-CG 4.2Å; L74-K76 HydrophobicContact CD1-CD 4.47Å; L74-K76 HydrophobicContact CD2-CB 4.48Å; L74-K76 HydrophobicContact CD2-CD 4.24Å; L74-K76 HydrophobicContact CG-CB 4.33Å
75E98.1Very high97.1Very high79 Ų7934.5 Ų34.537%0.36920%0.203SC..EExtended strand (participates in β ladder)trans-93.899.2165.9-161-174.4143.400109.4V23 L37 N77V23-E75 HydrophobicContact CB-CB 4.12Å; V23-E75 PolarHBondContact N-O 2.86Å; V23-E75 PolarHBondContact O-N 3.07Å; L37-E75 HydrophobicContact CB-CG 4.3Å; L37-E75 CarbonylContact O-C 3.45Å; L37-E75 WeakPolarHBondContact O-CA 3.29Å; E75-N77 PolarHBondContact O-N 2.85Å; E75-N77 PolarHBondContact OE1-ND2 2.92Å; E75-N77 PolarHBondContact OE1-OD1 3.06Å
76K97.8Very high97Very high5 Ų531.5 Ų31.52%0.02217%0.17CC..  trans-84.892.7-175.5-166.369.1-177.8167.30110.9D22 L37 G38 R39 F40 L44 L74 M78 S86 S90D22-K76 WeakPolarHBondContact OD2-CD 2.96Å; D22-K76 IonicContact OD2-NZ 3.59Å; D22-K76 PolarHBondContact OD2-NZ 3.37Å; L37-K76 PolarHBondContact O-N 3.25Å; G38-K76 CarbonylContact C-O 3.17Å; R39-K76 PolarHBondContact N-O 2.97Å; F40-K76 HydrophobicContact CB-CG 4.11Å; F40-K76 PolarHBondContact N-O 3.2Å; L44-K76 HydrophobicContact CD1-CB 4.21Å; L44-K76 HydrophobicContact CD1-CG 4.45Å; L44-K76 HydrophobicContact CD2-CD 4.12Å; L44-K76 HydrophobicContact CD2-CG 4.18Å; L44-K76 HydrophobicContact CG-CG 4.37Å; L74-K76 HydrophobicContact CD1-CD 4.47Å; L74-K76 HydrophobicContact CD2-CB 4.48Å; L74-K76 HydrophobicContact CD2-CD 4.24Å; L74-K76 HydrophobicContact CG-CB 4.33Å; K76-M78 WeakPolarHBondContact CE-O 3.31Å; K76-S86 VanDerWaalsContact CE-OG 3.23Å; K76-S86 WeakPolarHBondContact CE-OG 3.2Å; K76-S86 PolarHBondContact NZ-O 3.26Å; K76-S86 PolarHBondContact NZ-OG 2.91Å; K76-S90 PolarHBondContact NZ-OG 2.83Å
77N97Very high96.9Very high52 Ų5226.5 Ų26.528%0.27815%0.152SC..  trans-101.8-15.1-177.2-69.3-30.3000112.5G21 D22 F40 E75G21-N77 WeakPolarHBondContact O-CB 3.43Å; D22-N77 PolarHBondContact OD1-N 2.8Å; F40-N77 VanDerWaalsContact CD2-O 3.29Å; F40-N77 WeakPolarHBondContact CD2-O 3.41Å; F40-N77 VanDerWaalsContact CE2-O 3.23Å; F40-N77 WeakPolarHBondContact CE2-O 3.47Å; E75-N77 PolarHBondContact O-N 2.85Å; E75-N77 PolarHBondContact OE1-ND2 2.92Å; E75-N77 PolarHBondContact OE1-OD1 3.06Å
78M96.7Very high96.9Very high4 Ų420.5 Ų20.52%0.0212%0.124CC..SBendtrans-96.9128.5177.9-65.5-58.2-6900113.1L20 D22 K76 I80 L84 S86L20-M78 HydrophobicContact CD1-CE 4.2Å; L20-M78 HydrophobicContact CD1-SD 3.71Å; L20-M78 HydrophobicContact CG-CE 4.14Å; L20-M78 HydrophobicContact CG-SD 3.89Å; D22-M78 WeakPolarHBondContact OD1-CB 3.46Å; D22-M78 PolarHBondContact OD1-N 3.17Å; K76-M78 WeakPolarHBondContact CE-O 3.31Å; M78-I80 PolarHBondContact O-N 2.91Å; M78-L84 HydrophobicContact CE-CB 3.37Å; M78-L84 HydrophobicContact CE-CD1 3.74Å; M78-L84 HydrophobicContact CE-CG 4.11Å; M78-S86 PolarHBondContact O-OG 2.95Å; M78-S86 VanDerWaalsContact O-OG 3.07Å
79P96.6Very high96.9Very high2 Ų220.5 Ų20.51%0.01313%0.126CC..PPolyproline II helixtrans-63.3132.2178.220.9-27.8000111.8F40 S82 S86 Y165 F282F40-P79 HydrophobicContact CD1-CB 4.16Å; F40-P79 HydrophobicContact CD2-CB 4.4Å; F40-P79 HydrophobicContact CE1-CB 3.76Å; F40-P79 HydrophobicContact CE2-CB 4.03Å; F40-P79 HydrophobicContact CE2-CG 4.18Å; F40-P79 HydrophobicContact CG-CB 4.45Å; F40-P79 HydrophobicContact CZ-CB 3.69Å; F40-P79 HydrophobicContact CZ-CG 4.05Å; P79-S82 WeakPolarHBondContact O-CB 3.14Å; P79-S82 PolarHBondContact O-OG 2.88Å; P79-S86 WeakPolarHBondContact O-CB 3.35Å; P79-S86 PolarHBondContact O-OG 3.41Å; P79-Y165 HydrophobicContact CB-CD1 4.45Å; P79-Y165 HydrophobicContact CB-CE1 3.74Å; P79-Y165 HydrophobicContact CB-CE2 4.19Å; P79-Y165 HydrophobicContact CG-CD1 3.83Å; P79-Y165 HydrophobicContact CG-CD2 4.33Å; P79-Y165 HydrophobicContact CG-CE1 3.61Å; P79-Y165 HydrophobicContact CG-CE2 4.14Å; P79-Y165 HydrophobicContact CG-CG 4.18Å; P79-F282 HydrophobicContact CG-CE1 3.92Å; P79-F282 HydrophobicContact CG-CZ 4.17Å
80I94.5Very high96.9Very high62 Ų6217.5 Ų17.532%0.31811%0.106SC..THydrogen-bonded Turntrans-72.3135.2-180-59.7175000110.2K43 L44 M78 S82 K169K43-I80 HydrophobicContact CB-CD1 3.94Å; K43-I80 WeakPolarHBondContact O-CD1 3.47Å; L44-I80 HydrophobicContact CD2-CD1 4.07Å; M78-I80 PolarHBondContact O-N 2.91Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 2.87Å; I80-K169 WeakPolarHBondContact O-CB 3.35Å
81G94.1Very high96.9Very high14 Ų1417.5 Ų17.514%0.14411%0.106CC..THydrogen-bonded Turntrans6827.8-179.300000113.4K169 V170 P252G81-K169 CarbonylContact O-C 3.4Å; G81-K169 WeakPolarHBondContact O-CA 3.35Å; G81-V170 CarbonylContact C-O 3.45Å; G81-V170 WeakPolarHBondContact CA-O 3.23Å; G81-V170 PolarHBondContact O-N 2.92Å; G81-V170 VanDerWaalsContact O-O 3.12Å; G81-P252 WeakPolarHBondContact O-CD 3.36Å
82S96.6Very high96.9Very high1 Ų116.7 Ų16.71%0.00710%0.099CC..SBendtrans-86.6-18.9-178.754.40000114.4P79 I80 L84 G251 P252 T253P79-S82 WeakPolarHBondContact O-CB 3.14Å; P79-S82 PolarHBondContact O-OG 2.88Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact OG-N 2.72Å; S82-G251 CarbonylContact C-O 3.5Å; S82-G251 CarbonylContact O-C 3.58Å; S82-P252 WeakPolarHBondContact O-CD 3.18Å; S82-T253 WeakPolarHBondContact O-CB 3.33Å; S82-T253 PolarHBondContact O-N 2.92Å; S82-T253 PolarHBondContact O-OG1 3.37Å
83G95.2Very high96.9Very high8 Ų817.6 Ų17.68%0.08211%0.107CC..SBendtrans82.911.2-168.600000114.3S248 G251G83-S248 WeakPolarHBondContact CA-O 3.47Å; G83-S248 CarbonylContact O-C 3.55Å; G83-S248 VanDerWaalsContact O-C 3.26Å; G83-S248 WeakPolarHBondContact O-CB 3.16Å; G83-S248 VanDerWaalsContact O-O 3.09Å; G83-S248 PolarHBondContact O-OG 2.84Å; G83-G251 WeakPolarHBondContact CA-O 3.21Å; G83-G251 PolarHBondContact N-O 3.21Å
84L96.7Very high96.9Very high23 Ų2316.1 Ų16.112%0.1210%0.098CC..SBendtrans-103.418.8177.6-70.4165.7000113.6M78 S82 L163 T253 F282M78-L84 HydrophobicContact CE-CB 3.37Å; M78-L84 HydrophobicContact CE-CD1 3.74Å; M78-L84 HydrophobicContact CE-CG 4.11Å; S82-L84 PolarHBondContact OG-N 2.72Å; L84-L163 HydrophobicContact CD2-CD1 4.02Å; L84-T253 HydrophobicContact CD2-CG2 3.83Å; L84-T253 HydrophobicContact CG-CG2 4.04Å; L84-F282 HydrophobicContact CD1-CE2 3.84Å; L84-F282 HydrophobicContact CD1-CZ 3.59Å
85G95.5Very high96.9Very high13 Ų1316.1 Ų16.113%0.13410%0.098CC..  trans68.635.9-179.600000114.2S87 A88 C89G85-S87 PolarHBondContact O-N 2.98Å; G85-A88 PolarHBondContact O-N 3.44Å; G85-C89 PolarHBondContact O-N 2.84Å; G85-C89 PolarHBondContact O-SG 3.5Å
86S95.4Very high97Very high7 Ų713.7 Ų13.75%0.0499%0.087CC..Hα-helixtrans-59.6-38.2-178.1176.40000113.6K76 M78 P79 S90K76-S86 VanDerWaalsContact CE-OG 3.23Å; K76-S86 WeakPolarHBondContact CE-OG 3.2Å; K76-S86 PolarHBondContact NZ-O 3.26Å; K76-S86 PolarHBondContact NZ-OG 2.91Å; M78-S86 PolarHBondContact O-OG 2.95Å; M78-S86 VanDerWaalsContact O-OG 3.07Å; P79-S86 WeakPolarHBondContact O-CB 3.35Å; P79-S86 PolarHBondContact O-OG 3.41Å; S86-S90 PolarHBondContact O-OG 3.07Å
87S95Very high97Very high30 Ų3014.4 Ų14.421%0.219%0.094CC..Hα-helixtrans-65.1-51172.351.60000110.3G85 C89 S90 V91 E119G85-S87 PolarHBondContact O-N 2.98Å; S87-C89 VanDerWaalsContact C-N 3.3Å; S87-C89 PolarHBondContact O-N 3.34Å; S87-S90 PolarHBondContact O-N 3.36Å; S87-V91 WeakPolarHBondContact O-CG2 3.32Å; S87-V91 PolarHBondContact O-N 3.31Å; S87-E119 WeakPolarHBondContact CB-OE1 3.32Å; S87-E119 VanDerWaalsContact OG-CD 3.31Å; S87-E119 PolarHBondContact OG-OE1 2.63Å; S87-E119 PolarHBondContact OG-OE2 3.45Å
88A97.4Very high97.1Very high1 Ų112 Ų121%0.0088%0.081CC..Hα-helixtrans-56.3-42.2-178.900000112.2G85 S90 V91 V92 E119 N130 V131G85-A88 PolarHBondContact O-N 3.44Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.86Å; A88-V91 PolarHBondContact O-N 2.86Å; A88-V92 WeakPolarHBondContact O-CB 3.29Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 2.85Å; A88-E119 VanDerWaalsContact CA-OE1 3.29Å; A88-E119 WeakPolarHBondContact CA-OE1 3.44Å; A88-E119 PolarHBondContact N-OE1 2.81Å; A88-N130 HydrophobicContact CB-CB 3.59Å; A88-V131 HydrophobicContact CB-CG1 3.67Å
89C97.8Very high97.2Very high17 Ų1712.1 Ų12.112%0.1158%0.082CC..Hα-helixtrans-54.2-48.8174.4-70.10000111.7D22 G85 S87 A93D22-C89 HydrophobicContact CB-CB 4.08Å; G85-C89 PolarHBondContact O-N 2.84Å; G85-C89 PolarHBondContact O-SG 3.5Å; S87-C89 VanDerWaalsContact C-N 3.3Å; S87-C89 PolarHBondContact O-N 3.34Å; C89-A93 WeakPolarHBondContact O-CB 3.33Å; C89-A93 PolarHBondContact O-N 3.22Å
90S97.9Very high97.2Very high0 Ų015 Ų150%010%0.095CC..Hα-helixtrans-68.9-40.4179.3-56.70000112.7D22 K76 S86 S87 A88 A94D22-S90 PolarHBondContact OD2-OG 3.44Å; K76-S90 PolarHBondContact NZ-OG 2.83Å; S86-S90 PolarHBondContact O-OG 3.07Å; S87-S90 PolarHBondContact O-N 3.36Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.86Å; S90-A94 WeakPolarHBondContact O-CB 3.49Å; S90-A94 PolarHBondContact O-N 3.08Å
91V98.4Very high97.4Very high0 Ų015.7 Ų15.70%010%0.097CC..Hα-helixtrans-61.4-51.8176.81790000110.8I52 S87 A88 A94 L95 M115 L118 V131I52-V91 HydrophobicContact CD1-CB 4.49Å; I52-V91 HydrophobicContact CD1-CG2 3.19Å; I52-V91 HydrophobicContact CG1-CG2 3.73Å; S87-V91 WeakPolarHBondContact O-CG2 3.32Å; S87-V91 PolarHBondContact O-N 3.31Å; A88-V91 PolarHBondContact O-N 2.86Å; V91-A94 PolarHBondContact O-N 3.09Å; V91-L95 HydrophobicContact CG1-CD1 4.01Å; V91-L95 WeakPolarHBondContact O-CB 3.2Å; V91-L95 PolarHBondContact O-N 3.06Å; V91-M115 HydrophobicContact CG1-CB 3.78Å; V91-M115 HydrophobicContact CG1-CG 3.89Å; V91-L118 HydrophobicContact CG1-CB 4.08Å; V91-L118 HydrophobicContact CG1-CD1 4.06Å; V91-L118 HydrophobicContact CG2-CB 4.27Å; V91-V131 HydrophobicContact CB-CG1 4.43Å; V91-V131 HydrophobicContact CG1-CG1 4.45Å
92V98.8Very high97.5Very high1 Ų117 Ų171%0.00610%0.104CC..Hα-helixtrans-63.5-49.5-177.4173.90000110A88 A94 M96 M115 V131 C134 F135 A293A88-V92 WeakPolarHBondContact O-CB 3.29Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 2.85Å; V92-A94 PolarHBondContact O-N 3.39Å; V92-M96 WeakPolarHBondContact O-CB 3.45Å; V92-M96 PolarHBondContact O-N 2.84Å; V92-M115 HydrophobicContact CB-CE 4.42Å; V92-M115 HydrophobicContact CB-SD 4.45Å; V92-M115 HydrophobicContact CG1-CE 4.2Å; V92-M115 HydrophobicContact CG2-CE 4.37Å; V92-M115 HydrophobicContact CG2-CG 4.47Å; V92-M115 HydrophobicContact CG2-SD 3.77Å; V92-V131 HydrophobicContact CG2-CB 3.96Å; V92-V131 HydrophobicContact CG2-CG1 3.98Å; V92-C134 HydrophobicContact CG2-CB 3.93Å; V92-F135 HydrophobicContact CG1-CB 3.8Å; V92-F135 HydrophobicContact CG1-CD2 4.07Å; V92-F135 HydrophobicContact CG1-CG 4.34Å; V92-F135 HydrophobicContact CG2-CB 4.21Å; V92-A293 HydrophobicContact CG1-CB 3.5Å; V92-A293 VanDerWaalsContact CG1-CB 3.5Å
93A98.7Very high97.6Very high20 Ų2020 Ų2017%0.16514%0.135CC..Hα-helixtrans-59.2-45.2179.200000111.8V24 C89 A97V24-A93 HydrophobicContact CB-CB 3.94Å; V24-A93 HydrophobicContact CG2-CB 3.6Å; C89-A93 WeakPolarHBondContact O-CB 3.33Å; C89-A93 PolarHBondContact O-N 3.22Å; A93-A97 WeakPolarHBondContact O-CB 3.45Å; A93-A97 PolarHBondContact O-N 3.37Å
94A98.6Very high97.7Very high0 Ų025.6 Ų25.60%016%0.157CC..Hα-helixtrans-67.9-48.2-178.900000113.3V24 V53 C56 M72 S90 V91 V92 A97 M98V24-A94 HydrophobicContact CG2-CB 4.43Å; V53-A94 HydrophobicContact CB-CB 4.35Å; V53-A94 HydrophobicContact CG1-CB 3.93Å; V53-A94 HydrophobicContact CG2-CB 4.11Å; C56-A94 HydrophobicContact CB-CB 3.63Å; M72-A94 HydrophobicContact CE-CB 4.18Å; S90-A94 WeakPolarHBondContact O-CB 3.49Å; S90-A94 PolarHBondContact O-N 3.08Å; V91-A94 PolarHBondContact O-N 3.09Å; V92-A94 PolarHBondContact O-N 3.39Å; A94-A97 PolarHBondContact O-N 2.94Å; A94-M98 WeakPolarHBondContact O-CB 3.48Å; A94-M98 WeakPolarHBondContact O-CG 3.38Å; A94-M98 PolarHBondContact O-N 3.35Å
95L98.8Very high97.8Very high0 Ų027.5 Ų27.50%017%0.17CC..Hα-helixtrans-68.8-39.3-179.9-74.9-178.8000112.1C56 F60 V91 N99 L111 L114 M115 L118C56-L95 HydrophobicContact CB-CD2 4.12Å; C56-L95 HydrophobicContact CB-CG 4.2Å; F60-L95 HydrophobicContact CB-CD2 4.02Å; F60-L95 HydrophobicContact CD2-CD2 4.12Å; V91-L95 HydrophobicContact CG1-CD1 4.01Å; V91-L95 WeakPolarHBondContact O-CB 3.2Å; V91-L95 PolarHBondContact O-N 3.06Å; L95-N99 WeakPolarHBondContact O-CB 3.16Å; L95-N99 PolarHBondContact O-N 2.99Å; L95-L111 HydrophobicContact CB-CD2 4.3Å; L95-L114 HydrophobicContact CD1-CB 3.76Å; L95-M115 HydrophobicContact CB-CE 4.18Å; L95-M115 HydrophobicContact CD1-CB 4.29Å; L95-M115 HydrophobicContact CD1-CG 3.54Å; L95-L118 HydrophobicContact CD1-CD1 3.69Å; L95-L118 HydrophobicContact CD2-CD1 4.3Å; L95-L118 HydrophobicContact CG-CD1 4.15Å
96M98.6Very high97.9Very high27 Ų2727.9 Ų27.913%0.13317%0.169CC..Hα-helixtrans-63.1-48.1174-176.1-179.1177.300110.5V92 M98 N99 E100 F135 A293 V295V92-M96 WeakPolarHBondContact O-CB 3.45Å; V92-M96 PolarHBondContact O-N 2.84Å; M96-M98 PolarHBondContact O-N 2.87Å; M96-N99 PolarHBondContact O-N 3.44Å; M96-N99 VanDerWaalsContact O-N 3.17Å; M96-E100 HydrophobicContact CG-CG 4.2Å; M96-E100 WeakPolarHBondContact O-CB 3.3Å; M96-E100 VanDerWaalsContact O-CG 3.29Å; M96-E100 WeakPolarHBondContact O-CG 3.38Å; M96-E100 PolarHBondContact O-N 3Å; M96-F135 HydrophobicContact SD-CE2 4.48Å; M96-A293 HydrophobicContact SD-CB 3.46Å; M96-A293 WeakPolarHBondContact SD-CB 3.35Å; M96-V295 HydrophobicContact CE-CG2 4.31Å
97A98.5Very high98Very high21 Ų2132.5 Ų32.517%0.17419%0.193CC..Hα-helixtrans-62.4-41-179.500000112.4V24 V26 A93 A94 H101V24-A97 HydrophobicContact CG1-CB 4.25Å; V26-A97 HydrophobicContact CB-CB 4.47Å; V26-A97 HydrophobicContact CG2-CB 3.54Å; A93-A97 WeakPolarHBondContact O-CB 3.45Å; A93-A97 PolarHBondContact O-N 3.37Å; A94-A97 PolarHBondContact O-N 2.94Å; A97-H101 WeakPolarHBondContact O-CB 3.42Å; A97-H101 PolarHBondContact O-N 3.21Å
98M98.6Very high98Very high0 Ų035.6 Ų35.60%021%0.207CC..Hα-helixtrans-63.9-41.4173.5-75.7-61.3-61.900112.6V26 F60 I68 V70 M72 A94 M96 H101 C102V26-M98 HydrophobicContact CG1-SD 3.92Å; V26-M98 HydrophobicContact CG2-SD 4.36Å; F60-M98 HydrophobicContact CD1-CB 3.82Å; F60-M98 HydrophobicContact CD1-CE 3.73Å; F60-M98 HydrophobicContact CD1-CG 4.47Å; F60-M98 HydrophobicContact CD2-CB 4.04Å; F60-M98 HydrophobicContact CE1-CB 3.94Å; F60-M98 HydrophobicContact CE1-CE 4.1Å; F60-M98 HydrophobicContact CE2-CB 4.16Å; F60-M98 HydrophobicContact CG-CB 3.88Å; F60-M98 HydrophobicContact CZ-CB 4.12Å; I68-M98 HydrophobicContact CB-CE 3.91Å; I68-M98 HydrophobicContact CG1-CE 4.29Å; I68-M98 HydrophobicContact CG2-CE 3.94Å; V70-M98 HydrophobicContact CG2-CE 4.34Å; V70-M98 HydrophobicContact CG2-SD 3.9Å; M72-M98 HydrophobicContact CE-CG 4.15Å; M72-M98 HydrophobicContact CE-SD 4.34Å; M72-M98 HydrophobicContact SD-CG 4.47Å; M72-M98 HydrophobicContact SD-SD 4.05Å; A94-M98 WeakPolarHBondContact O-CB 3.48Å; A94-M98 WeakPolarHBondContact O-CG 3.38Å; A94-M98 PolarHBondContact O-N 3.35Å; M96-M98 PolarHBondContact O-N 2.87Å; M98-H101 PolarHBondContact O-N 3.49Å; M98-C102 WeakPolarHBondContact O-CB 3.25Å; M98-C102 PolarHBondContact O-N 3.09Å; M98-C102 PolarHBondContact O-SG 2.84Å; M98-C102 VanDerWaalsContact O-SG 3.32Å
99N98.5Very high98Very high7 Ų738.9 Ų38.94%0.03723%0.228CC..Hα-helixtrans-65.2-46.9177.5-161.452.2000111.5F60 L95 M96 C102 G103 K104 P105 L106 L111F60-N99 HydrophobicContact CE2-CB 3.95Å; F60-N99 HydrophobicContact CZ-CB 4.29Å; L95-N99 WeakPolarHBondContact O-CB 3.16Å; L95-N99 PolarHBondContact O-N 2.99Å; M96-N99 PolarHBondContact O-N 3.44Å; M96-N99 VanDerWaalsContact O-N 3.17Å; N99-C102 PolarHBondContact O-N 3.34Å; N99-G103 PolarHBondContact O-N 3.32Å; N99-K104 WeakPolarHBondContact O-CA 3.45Å; N99-K104 PolarHBondContact O-N 3.46Å; N99-P105 WeakPolarHBondContact O-CD 3.42Å; N99-P105 WeakPolarHBondContact OD1-CD 3.31Å; N99-L106 PolarHBondContact ND2-O 3.49Å; N99-L106 WeakPolarHBondContact OD1-CB 3.37Å; N99-L106 PolarHBondContact OD1-N 3.16Å; N99-L111 HydrophobicContact CB-CD1 3.99Å; N99-L111 HydrophobicContact CB-CD2 3.96Å; N99-L111 HydrophobicContact CB-CG 4.49Å; N99-L111 VanDerWaalsContact ND2-CD1 3.33Å; N99-L111 WeakPolarHBondContact ND2-CD1 3.46Å
100E98Very high97.9Very high62 Ų6242.5 Ų42.529%0.2924%0.239SC..Hα-helixtrans-58.2-49.2174.5-71.6-69.8169.200111M96 C102 G103 K104 V295M96-E100 HydrophobicContact CG-CG 4.2Å; M96-E100 WeakPolarHBondContact O-CB 3.3Å; M96-E100 VanDerWaalsContact O-CG 3.29Å; M96-E100 WeakPolarHBondContact O-CG 3.38Å; M96-E100 PolarHBondContact O-N 3Å; E100-C102 PolarHBondContact O-N 2.84Å; E100-G103 PolarHBondContact O-N 2.95Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.37Å; E100-K104 PolarHBondContact OE1-NZ 2.74Å; E100-K104 WeakPolarHBondContact OE2-CE 3.49Å; E100-K104 IonicContact OE2-NZ 2.7Å; E100-K104 PolarHBondContact OE2-NZ 3.33Å; E100-V295 HydrophobicContact CG-CG2 4.1Å
101H97.7Very high97.9Very high77 Ų7742.6 Ų42.636%0.35624%0.239SC..Hα-helixtrans-57.4-36.3178.4-17687.8000112.7V26 V70 A97 M98 G103V26-H101 HydrophobicContact CB-CB 4.44Å; V26-H101 HydrophobicContact CG1-CB 3.96Å; V70-H101 WeakPolarHBondContact CG1-NE2 3.3Å; A97-H101 WeakPolarHBondContact O-CB 3.42Å; A97-H101 PolarHBondContact O-N 3.21Å; M98-H101 PolarHBondContact O-N 3.49Å; H101-G103 VanDerWaalsContact C-N 3.33Å
102C97.8Very high97.9Very high43 Ų4342.9 Ų42.929%0.29124%0.241SC..THydrogen-bonded Turntrans-87.87.3179.3-65.20000114.3F60 L64 M98 N99 E100 P105F60-C102 HydrophobicContact CE1-CB 4.32Å; F60-C102 HydrophobicContact CZ-CB 4.33Å; L64-C102 HydrophobicContact CD1-CB 4.43Å; M98-C102 WeakPolarHBondContact O-CB 3.25Å; M98-C102 PolarHBondContact O-N 3.09Å; M98-C102 PolarHBondContact O-SG 2.84Å; M98-C102 VanDerWaalsContact O-SG 3.32Å; N99-C102 PolarHBondContact O-N 3.34Å; E100-C102 PolarHBondContact O-N 2.84Å; C102-P105 HydrophobicContact CB-CG 3.91Å
103G97.3Very high97.8Very high64 Ų6444 Ų4466%0.6625%0.25SC*.THydrogen-bonded Turntrans77.534.1179.900000114.4N99 E100 H101N99-G103 PolarHBondContact O-N 3.32Å; E100-G103 PolarHBondContact O-N 2.95Å; H101-G103 VanDerWaalsContact C-N 3.33Å
104K97.6Very high97.8Very high125 Ų12543 Ų4354%0.54324%0.242SC..  trans57.253177-54.4-176.9-176.8-151.40115.3N99 E100 L106N99-K104 WeakPolarHBondContact O-CA 3.45Å; N99-K104 PolarHBondContact O-N 3.46Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.37Å; E100-K104 PolarHBondContact OE1-NZ 2.74Å; E100-K104 WeakPolarHBondContact OE2-CE 3.49Å; E100-K104 IonicContact OE2-NZ 2.7Å; E100-K104 PolarHBondContact OE2-NZ 3.33Å; K104-L106 PolarHBondContact O-N 3.25Å
105P98.2Very high97.8Very high63 Ų6343 Ų4341%0.40924%0.242SC..  trans-65.9-24.1178.627.9-36.5000113.9F60 L64 N99 C102F60-P105 HydrophobicContact CZ-CG 4.05Å; L64-P105 HydrophobicContact CD1-CG 4.08Å; L64-P105 HydrophobicContact CD2-CB 3.91Å; L64-P105 HydrophobicContact CD2-CG 3.84Å; N99-P105 WeakPolarHBondContact O-CD 3.42Å; N99-P105 WeakPolarHBondContact OD1-CD 3.31Å; C102-P105 HydrophobicContact CB-CG 3.91Å
106L98Very high97.7Very high21 Ų2143 Ų4311%0.1124%0.242CC..SBendtrans-107.4139.4179.4-52.8-179.2000110.6F60 E63 L64 N99 K104 R110 L111 L114F60-L106 HydrophobicContact CD2-CD1 4.03Å; F60-L106 HydrophobicContact CE2-CD1 3.71Å; F60-L106 HydrophobicContact CE2-CG 4.3Å; E63-L106 HydrophobicContact CG-CD1 3.9Å; E63-L106 HydrophobicContact CG-CD2 3.88Å; L64-L106 HydrophobicContact CD2-CD2 4.2Å; N99-L106 PolarHBondContact ND2-O 3.49Å; N99-L106 WeakPolarHBondContact OD1-CB 3.37Å; N99-L106 PolarHBondContact OD1-N 3.16Å; K104-L106 PolarHBondContact O-N 3.25Å; L106-R110 HydrophobicContact CD2-CG 4.31Å; L106-L111 HydrophobicContact CB-CD2 4.2Å; L106-L111 HydrophobicContact CB-CG 3.98Å; L106-L111 HydrophobicContact CD1-CD2 4.01Å; L106-L114 HydrophobicContact CD1-CD1 3.66Å
107N97.1Very high97.6Very high103 Ų10344.2 Ų44.255%0.55125%0.248SC*.  trans-78.3166.917169.120.9000111.7T109 R110 L111N107-T109 VanDerWaalsContact C-N 3.34Å; N107-T109 PolarHBondContact O-N 3.19Å; N107-T109 PolarHBondContact OD1-N 3.23Å; N107-R110 PolarHBondContact O-N 2.89Å; N107-R110 VanDerWaalsContact O-N 3.16Å; N107-R110 WeakPolarHBondContact OD1-CB 3.32Å; N107-R110 PolarHBondContact OD1-N 3.41Å; N107-L111 PolarHBondContact O-N 2.9Å
108D96.3Very high97.5Very high95 Ų9543.3 Ų43.351%0.50824%0.24SC..Hα-helixtrans-59.4-41-175.2-64.3-9000112.9R110 L111 L112 F135D108-R110 PolarHBondContact O-N 2.9Å; D108-L111 PolarHBondContact O-N 2.83Å; D108-L112 VanDerWaalsContact O-CB 3.28Å; D108-L112 WeakPolarHBondContact O-CB 3.27Å; D108-L112 PolarHBondContact O-N 3.45Å; D108-F135 HydrophobicContact CB-CE1 3.86Å; D108-F135 HydrophobicContact CB-CZ 4.23Å
109T96.1Very high97.2Very high71 Ų7143.4 Ų43.444%0.43624%0.24SC..Hα-helixtrans-60.8-45.1177.4-55.40000111.3N107 L112 A113 I149N107-T109 VanDerWaalsContact C-N 3.34Å; N107-T109 PolarHBondContact O-N 3.19Å; N107-T109 PolarHBondContact OD1-N 3.23Å; T109-L112 PolarHBondContact O-N 2.81Å; T109-A113 PolarHBondContact O-N 2.8Å; T109-I149 HydrophobicContact CG2-CD1 4.38Å; T109-I149 WeakPolarHBondContact O-CD1 3.12Å
110R97.2Very high96.8Very high93 Ų9343.6 Ų43.635%0.35124%0.243SC..Hα-helixtrans-69.9-41.8179.9-175.154.3178.8165.91.6111.4E63 L106 N107 D108 L112 A113 L114E63-R110 IonicContact OE1-CZ 3.61Å; E63-R110 VanDerWaalsContact OE1-CZ 3.22Å; E63-R110 IonicContact OE1-NE 3.7Å; E63-R110 PolarHBondContact OE1-NE 3.37Å; E63-R110 IonicContact OE1-NH2 2.76Å; E63-R110 PolarHBondContact OE1-NH2 2.98Å; E63-R110 IonicContact OE2-CZ 2.71Å; E63-R110 IonicContact OE2-NE 2.74Å; E63-R110 IonicContact OE2-NH2 3.22Å; E63-R110 PolarHBondContact OE2-NH2 3.25Å; L106-R110 HydrophobicContact CD2-CG 4.31Å; N107-R110 PolarHBondContact O-N 2.89Å; N107-R110 VanDerWaalsContact O-N 3.16Å; N107-R110 WeakPolarHBondContact OD1-CB 3.32Å; N107-R110 PolarHBondContact OD1-N 3.41Å; D108-R110 PolarHBondContact O-N 2.9Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.42Å; R110-A113 WeakPolarHBondContact O-CB 3.43Å; R110-A113 PolarHBondContact O-N 2.7Å; R110-L114 WeakPolarHBondContact O-CG 3.08Å; R110-L114 PolarHBondContact O-N 2.67Å; R110-L114 VanDerWaalsContact O-N 3.07Å
111L97.8Very high96.4Very high1 Ų146 Ų461%0.00525%0.25CC..Hα-helixtrans-56.8-49.7173.7-84.5179.3000111.5L95 N99 L106 N107 D108 A113 L114 M115 F135L95-L111 HydrophobicContact CB-CD2 4.3Å; N99-L111 HydrophobicContact CB-CD1 3.99Å; N99-L111 HydrophobicContact CB-CD2 3.96Å; N99-L111 HydrophobicContact CB-CG 4.49Å; N99-L111 VanDerWaalsContact ND2-CD1 3.33Å; N99-L111 WeakPolarHBondContact ND2-CD1 3.46Å; L106-L111 HydrophobicContact CB-CD2 4.2Å; L106-L111 HydrophobicContact CB-CG 3.98Å; L106-L111 HydrophobicContact CD1-CD2 4.01Å; N107-L111 PolarHBondContact O-N 2.9Å; D108-L111 PolarHBondContact O-N 2.83Å; L111-A113 VanDerWaalsContact C-N 3.29Å; L111-A113 PolarHBondContact O-N 2.92Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.33Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-M115 HydrophobicContact CB-CE 4.18Å; L111-M115 VanDerWaalsContact O-CG 3.27Å; L111-M115 WeakPolarHBondContact O-CG 3.29Å; L111-M115 PolarHBondContact O-N 2.75Å; L111-F135 HydrophobicContact CB-CE1 4.32Å; L111-F135 HydrophobicContact CB-CZ 4.42Å; L111-F135 HydrophobicContact CD1-CE2 4.49Å; L111-F135 HydrophobicContact CD1-CZ 3.9Å
112L98Very high95.8Very high6 Ų646 Ų463%0.03125%0.252CS..Hα-helixtrans-63.3-36.1-179.3-175.958.2000112D108 T109 R110 M115 G116 Y128 V131 A132 F135 L136 I149D108-L112 VanDerWaalsContact O-CB 3.28Å; D108-L112 WeakPolarHBondContact O-CB 3.27Å; D108-L112 PolarHBondContact O-N 3.45Å; T109-L112 PolarHBondContact O-N 2.81Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.42Å; L112-M115 HydrophobicContact CD1-CB 4.48Å; L112-M115 HydrophobicContact CD1-SD 4.08Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 PolarHBondContact O-N 3.07Å; L112-G116 PolarHBondContact O-N 3.17Å; L112-Y128 HydrophobicContact CD1-CD1 4.31Å; L112-Y128 HydrophobicContact CG-CD1 4.23Å; L112-Y128 WeakPolarHBondContact O-CE1 3.47Å; L112-V131 HydrophobicContact CD1-CB 4.24Å; L112-V131 HydrophobicContact CD1-CG2 3.86Å; L112-A132 HydrophobicContact CD1-CB 3.97Å; L112-A132 HydrophobicContact CD2-CB 4Å; L112-F135 HydrophobicContact CB-CD1 4.42Å; L112-L136 HydrophobicContact CD2-CD1 4.08Å; L112-I149 HydrophobicContact CB-CD1 3.91Å; L112-I149 HydrophobicContact CD2-CB 3.84Å; L112-I149 HydrophobicContact CD2-CD1 4.14Å; L112-I149 HydrophobicContact CD2-CG2 3.64Å; L112-I149 HydrophobicContact CG-CB 4.38Å; L112-I149 HydrophobicContact CG-CD1 3.86Å; L112-I149 HydrophobicContact CG-CG2 3.96Å
113A97.2Very high95.2Very high24 Ų2444.4 Ų44.420%0.19824%0.241CC..Hα-helixtrans-60-44171.800000112.3T109 R110 L111 M115 G116 E117 I149T109-A113 PolarHBondContact O-N 2.8Å; R110-A113 WeakPolarHBondContact O-CB 3.43Å; R110-A113 PolarHBondContact O-N 2.7Å; L111-A113 VanDerWaalsContact C-N 3.29Å; L111-A113 PolarHBondContact O-N 2.92Å; A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 2.85Å; A113-G116 PolarHBondContact O-N 2.92Å; A113-E117 PolarHBondContact O-N 2.99Å; A113-I149 HydrophobicContact CB-CD1 4.01Å
114L97.9Very high94.6Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-63.5-38.9174.4-63.1-178.4000111.8R59 E63 L95 L106 R110 L111 E117 L118R59-L114 HydrophobicContact CG-CD2 4.42Å; E63-L114 HydrophobicContact CB-CD1 4.34Å; E63-L114 HydrophobicContact CG-CD1 4.13Å; L95-L114 HydrophobicContact CD1-CB 3.76Å; L106-L114 HydrophobicContact CD1-CD1 3.66Å; R110-L114 WeakPolarHBondContact O-CG 3.08Å; R110-L114 PolarHBondContact O-N 2.67Å; R110-L114 VanDerWaalsContact O-N 3.07Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.33Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L114-E117 WeakPolarHBondContact O-CB 3.45Å; L114-E117 PolarHBondContact O-N 3.37Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.09Å
115M98.3Very high94Very high0 Ų040.9 Ų40.90%023%0.234CC..Hα-helixtrans-62.2-45.6178.4-64.3166.9-177.900111.2V91 V92 L95 L111 L112 A113 L118 E119 V131 F135V91-M115 HydrophobicContact CG1-CB 3.78Å; V91-M115 HydrophobicContact CG1-CG 3.89Å; V92-M115 HydrophobicContact CB-CE 4.42Å; V92-M115 HydrophobicContact CB-SD 4.45Å; V92-M115 HydrophobicContact CG1-CE 4.2Å; V92-M115 HydrophobicContact CG2-CE 4.37Å; V92-M115 HydrophobicContact CG2-CG 4.47Å; V92-M115 HydrophobicContact CG2-SD 3.77Å; L95-M115 HydrophobicContact CB-CE 4.18Å; L95-M115 HydrophobicContact CD1-CB 4.29Å; L95-M115 HydrophobicContact CD1-CG 3.54Å; L111-M115 HydrophobicContact CB-CE 4.18Å; L111-M115 VanDerWaalsContact O-CG 3.27Å; L111-M115 WeakPolarHBondContact O-CG 3.29Å; L111-M115 PolarHBondContact O-N 2.75Å; L112-M115 HydrophobicContact CD1-CB 4.48Å; L112-M115 HydrophobicContact CD1-SD 4.08Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 PolarHBondContact O-N 3.07Å; A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 2.85Å; M115-L118 PolarHBondContact O-N 3.26Å; M115-E119 PolarHBondContact O-N 3.26Å; M115-V131 HydrophobicContact CB-CB 3.78Å; M115-V131 HydrophobicContact CB-CG1 3.9Å; M115-V131 HydrophobicContact CB-CG2 3.95Å; M115-V131 HydrophobicContact SD-CB 4.49Å; M115-F135 HydrophobicContact CE-CB 4.3Å; M115-F135 HydrophobicContact CE-CD1 4.04Å; M115-F135 HydrophobicContact CE-CD2 3.87Å; M115-F135 HydrophobicContact CE-CE1 4.34Å; M115-F135 HydrophobicContact CE-CE2 4.19Å; M115-F135 HydrophobicContact CE-CG 3.81Å; M115-F135 HydrophobicContact CE-CZ 4.43Å; M115-F135 HydrophobicContact SD-CB 3.97Å; M115-F135 HydrophobicContact SD-CD1 4.04Å; M115-F135 HydrophobicContact SD-CG 3.97Å
116G97.1Very high93.8Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-64.7-37.7175.900000113.4L112 A113 L118 E119 G120L112-G116 PolarHBondContact O-N 3.17Å; A113-G116 PolarHBondContact O-N 2.92Å; G116-L118 VanDerWaalsContact C-N 3.33Å; G116-L118 PolarHBondContact O-N 2.92Å; G116-E119 PolarHBondContact O-N 3.35Å; G116-G120 PolarHBondContact O-N 3.23Å
117E96.4Very high93.5Very high53 Ų5342 Ų4225%0.24824%0.235CC..Hα-helixtrans-57.8-46.6174.1-171.1-164.4138.200111.2R59 A113 L114 G120 R121R59-E117 IonicContact CZ-OE2 3.91Å; R59-E117 VanDerWaalsContact CZ-OE2 3.3Å; R59-E117 VanDerWaalsContact NE-CD 3.35Å; R59-E117 IonicContact NE-OE1 2.92Å; R59-E117 PolarHBondContact NE-OE1 2.92Å; R59-E117 IonicContact NE-OE2 3.48Å; R59-E117 PolarHBondContact NE-OE2 3.4Å; R59-E117 IonicContact NH2-OE2 2.74Å; R59-E117 PolarHBondContact NH2-OE2 2.98Å; A113-E117 PolarHBondContact O-N 2.99Å; L114-E117 WeakPolarHBondContact O-CB 3.45Å; L114-E117 PolarHBondContact O-N 3.37Å; E117-G120 PolarHBondContact O-N 3.36Å; E117-R121 PolarHBondContact O-N 3.19Å; E117-R121 VanDerWaalsContact O-N 3.16Å; E117-R121 IonicContact OE1-CZ 3.25Å; E117-R121 IonicContact OE1-NE 3.44Å; E117-R121 IonicContact OE1-NH2 2.77Å; E117-R121 PolarHBondContact OE1-NH2 3.19Å
118L96Very high93.5Very high1 Ų138.3 Ų38.31%0.00521%0.214CC..Hα-helixtrans-70.3-40-178.9-71.5162.5000112.5Q55 C56 R59 V91 L95 L114 M115 G116 G120 R121 I122Q55-L118 HydrophobicContact CB-CD2 4.12Å; C56-L118 HydrophobicContact CB-CD1 4.25Å; R59-L118 HydrophobicContact CB-CD2 4.23Å; V91-L118 HydrophobicContact CG1-CB 4.08Å; V91-L118 HydrophobicContact CG1-CD1 4.06Å; V91-L118 HydrophobicContact CG2-CB 4.27Å; L95-L118 HydrophobicContact CD1-CD1 3.69Å; L95-L118 HydrophobicContact CD2-CD1 4.3Å; L95-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.09Å; M115-L118 PolarHBondContact O-N 3.26Å; G116-L118 VanDerWaalsContact C-N 3.33Å; G116-L118 PolarHBondContact O-N 2.92Å; L118-G120 PolarHBondContact O-N 3.13Å; L118-R121 PolarHBondContact O-N 3.11Å; L118-I122 WeakPolarHBondContact O-CD1 3.38Å
119E92.3Very high93.6Very high3 Ų334.8 Ų34.81%0.01419%0.194CC..Hα-helixtrans-57.9-41169.8-77.7-68.5121.700111.2S87 A88 M115 G116 R121 I122 S123 H127 V131S87-E119 WeakPolarHBondContact CB-OE1 3.32Å; S87-E119 VanDerWaalsContact OG-CD 3.31Å; S87-E119 PolarHBondContact OG-OE1 2.63Å; S87-E119 PolarHBondContact OG-OE2 3.45Å; A88-E119 VanDerWaalsContact CA-OE1 3.29Å; A88-E119 WeakPolarHBondContact CA-OE1 3.44Å; A88-E119 PolarHBondContact N-OE1 2.81Å; M115-E119 PolarHBondContact O-N 3.26Å; G116-E119 PolarHBondContact O-N 3.35Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.48Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 2.95Å; E119-S123 PolarHBondContact O-N 3.04Å; E119-S123 PolarHBondContact O-OG 2.82Å; E119-H127 IonicContact OE2-CE1 3.85Å; E119-H127 PolarHBondContact OE2-CE1 2.86Å; E119-V131 HydrophobicContact CG-CG1 3.45Å; E119-V131 VanDerWaalsContact CG-CG1 3.45Å
120G90.1Very high93.6Very high10 Ų1033.3 Ų33.310%0.10318%0.184CC..Hα-helixtrans-61.4-36177.800000114G116 E117 L118 I122 G124 S125G116-G120 PolarHBondContact O-N 3.23Å; E117-G120 PolarHBondContact O-N 3.36Å; L118-G120 PolarHBondContact O-N 3.13Å; G120-I122 PolarHBondContact O-N 3.3Å; G120-G124 CarbonylContact O-C 3.55Å; G120-G124 VanDerWaalsContact O-CA 3.29Å; G120-G124 WeakPolarHBondContact O-CA 3.12Å; G120-G124 PolarHBondContact O-N 3.31Å; G120-S125 WeakPolarHBondContact CA-O 3.32Å; G120-S125 PolarHBondContact O-N 3.14Å
121R90.9Very high93.7Very high113 Ų11328.9 Ų28.943%0.42617%0.167SC..Hα-helixtrans-63-27.2174.1-65.5-179.5-172-165.6-0.4112.7E117 L118 E119E117-R121 PolarHBondContact O-N 3.19Å; E117-R121 VanDerWaalsContact O-N 3.16Å; E117-R121 IonicContact OE1-CZ 3.25Å; E117-R121 IonicContact OE1-NE 3.44Å; E117-R121 IonicContact OE1-NH2 2.77Å; E117-R121 PolarHBondContact OE1-NH2 3.19Å; L118-R121 PolarHBondContact O-N 3.11Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.48Å
122I84.7Confident93.7Very high77 Ų7728.9 Ų28.940%0.39517%0.167SC..Hα-helixtrans-91.1-46.3-175.5-62.6158000111.3I52 L118 E119 G120I52-I122 HydrophobicContact CD1-CD1 3.1Å; I52-I122 HydrophobicContact CD1-CG1 4.45Å; I52-I122 HydrophobicContact CG1-CD1 3.68Å; L118-I122 WeakPolarHBondContact O-CD1 3.38Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 2.95Å; G120-I122 PolarHBondContact O-N 3.3Å
123S83.9Confident93.8Very high10 Ų1028.7 Ų28.77%0.0717%0.167CC..Hα-helixtrans-91.2-13.1-174.270.20000113.2E119 S125 H127E119-S123 PolarHBondContact O-N 3.04Å; E119-S123 PolarHBondContact O-OG 2.82Å; S123-S125 PolarHBondContact OG-O 2.88Å; S123-H127 WeakPolarHBondContact CB-NE2 3.31Å; S123-H127 PolarHBondContact OG-CD2 3.23Å; S123-H127 VanDerWaalsContact OG-CD2 3.23Å; S123-H127 PolarHBondContact OG-NE2 2.96Å
124G85.1Confident93.8Very high73 Ų7329 Ų2975%0.75317%0.167SC*.SBendtrans86.90.4-176.300000114.3G120G120-G124 CarbonylContact O-C 3.55Å; G120-G124 VanDerWaalsContact O-CA 3.29Å; G120-G124 WeakPolarHBondContact O-CA 3.12Å; G120-G124 PolarHBondContact O-N 3.31Å
125S86.4Confident93.9Very high42 Ų4229.9 Ų29.929%0.29417%0.171SC..SBendtrans-150.4133.1179.1570000110G120 S123 H127 R176G120-S125 WeakPolarHBondContact CA-O 3.32Å; G120-S125 PolarHBondContact O-N 3.14Å; S123-S125 PolarHBondContact OG-O 2.88Å; S125-H127 PolarHBondContact O-CD2 3.07Å; S125-H127 PolarHBondContact O-N 2.84Å; S125-R176 PolarHBondContact OG-NE 3.24Å
126I92.7Very high93.9Very high100 Ų10032.4 Ų32.451%0.51318%0.184SC..  trans-62.4129.2174-64.5173.7000108.9Y128I126-Y128 HydrophobicContact CG2-CD2 4.41Å; I126-Y128 HydrophobicContact CG2-CE2 3.66Å
127H92.6Very high93.9Very high7 Ų732.4 Ų32.43%0.03218%0.184CC..  trans-149.5146.3171.35983.8000109.7E119 S123 S125 D129 R176E119-H127 IonicContact OE2-CE1 3.85Å; E119-H127 PolarHBondContact OE2-CE1 2.86Å; S123-H127 WeakPolarHBondContact CB-NE2 3.31Å; S123-H127 PolarHBondContact OG-CD2 3.23Å; S123-H127 VanDerWaalsContact OG-CD2 3.23Å; S123-H127 PolarHBondContact OG-NE2 2.96Å; S125-H127 PolarHBondContact O-CD2 3.07Å; S125-H127 PolarHBondContact O-N 2.84Å; H127-D129 IonicContact CE1-OD1 2.6Å; H127-D129 IonicContact CG-OD1 3Å; H127-D129 IonicContact ND1-OD1 3.13Å; H127-D129 PolarHBondContact ND1-OD1 3.39Å; H127-R176 PolarHBondContact CD2-NH2 2.88Å
128Y97.4Very high94Very high26 Ų2630.2 Ų30.210%0.10218%0.176CC..  trans-112.4-10.5-173.8-62.6-82000113.4L112 I126 N130 V131 A132 M142 E144 I149L112-Y128 HydrophobicContact CD1-CD1 4.31Å; L112-Y128 HydrophobicContact CG-CD1 4.23Å; L112-Y128 WeakPolarHBondContact O-CE1 3.47Å; I126-Y128 HydrophobicContact CG2-CD2 4.41Å; I126-Y128 HydrophobicContact CG2-CE2 3.66Å; Y128-N130 PolarHBondContact O-N 2.92Å; Y128-V131 HydrophobicContact CD1-CG2 4.14Å; Y128-V131 PolarHBondContact O-N 2.88Å; Y128-A132 WeakPolarHBondContact O-CB 3.45Å; Y128-A132 PolarHBondContact O-N 3.24Å; Y128-M142 VanDerWaalsContact C-SD 3.58Å; Y128-M142 WeakPolarHBondContact CB-SD 3.4Å; Y128-E144 HydrophobicContact CD2-CG 4.15Å; Y128-E144 HydrophobicContact CE2-CG 4.18Å; Y128-E144 VanDerWaalsContact CE2-OE1 3.3Å; Y128-E144 WeakPolarHBondContact CE2-OE1 3.45Å; Y128-I149 HydrophobicContact CD1-CG2 3.54Å; Y128-I149 HydrophobicContact CD2-CG2 3.89Å; Y128-I149 HydrophobicContact CE1-CD1 4.18Å; Y128-I149 HydrophobicContact CE1-CG2 3.91Å; Y128-I149 HydrophobicContact CE2-CG2 4.25Å; Y128-I149 HydrophobicContact CG-CG2 3.52Å
129D96.9Very high94.1Very high20 Ų2030.3 Ų30.311%0.10718%0.176CC..THydrogen-bonded Turntrans-55.6-19.1-174.971-34.5000115.2G9 H127 P133G9-D129 VanDerWaalsContact CA-O 3.31Å; G9-D129 WeakPolarHBondContact CA-O 3.4Å; H127-D129 IonicContact CE1-OD1 2.6Å; H127-D129 IonicContact CG-OD1 3Å; H127-D129 IonicContact ND1-OD1 3.13Å; H127-D129 PolarHBondContact ND1-OD1 3.39Å; D129-P133 WeakPolarHBondContact O-CD 3.29Å; D129-P133 WeakPolarHBondContact O-CG 3.37Å
130N97.6Very high94.4Very high41 Ų4130.3 Ų30.322%0.21918%0.176CC..THydrogen-bonded Turntrans-104.1-46.9173.7-67.3-87000112.3A88 Y128 P133 C134A88-N130 HydrophobicContact CB-CB 3.59Å; Y128-N130 PolarHBondContact O-N 2.92Å; N130-P133 WeakPolarHBondContact O-CD 3.38Å; N130-P133 WeakPolarHBondContact O-CG 3.35Å; N130-C134 WeakPolarHBondContact O-CB 3.32Å; N130-C134 PolarHBondContact O-N 3.38Å
131V98.3Very high94.8Very high0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-68.7-36.5-177.8-71.60000112.9A88 V91 V92 L112 M115 E119 Y128 C134 F135A88-V131 HydrophobicContact CB-CG1 3.67Å; V91-V131 HydrophobicContact CB-CG1 4.43Å; V91-V131 HydrophobicContact CG1-CG1 4.45Å; V92-V131 HydrophobicContact CG2-CB 3.96Å; V92-V131 HydrophobicContact CG2-CG1 3.98Å; L112-V131 HydrophobicContact CD1-CB 4.24Å; L112-V131 HydrophobicContact CD1-CG2 3.86Å; M115-V131 HydrophobicContact CB-CB 3.78Å; M115-V131 HydrophobicContact CB-CG1 3.9Å; M115-V131 HydrophobicContact CB-CG2 3.95Å; M115-V131 HydrophobicContact SD-CB 4.49Å; E119-V131 HydrophobicContact CG-CG1 3.45Å; E119-V131 VanDerWaalsContact CG-CG1 3.45Å; Y128-V131 HydrophobicContact CD1-CG2 4.14Å; Y128-V131 PolarHBondContact O-N 2.88Å; V131-C134 PolarHBondContact O-N 3.47Å; V131-F135 WeakPolarHBondContact O-CB 3.33Å; V131-F135 PolarHBondContact O-N 2.81Å
132A98.6Very high95.2Very high0 Ų026.8 Ų26.80%016%0.163CC..Hα-helixtrans-63.6-54.6179.700000112.4L112 Y128 C134 F135 L136 Q140 M142L112-A132 HydrophobicContact CD1-CB 3.97Å; L112-A132 HydrophobicContact CD2-CB 4Å; Y128-A132 WeakPolarHBondContact O-CB 3.45Å; Y128-A132 PolarHBondContact O-N 3.24Å; A132-C134 VanDerWaalsContact C-N 3.34Å; A132-C134 PolarHBondContact O-N 3.39Å; A132-F135 PolarHBondContact O-N 3.4Å; A132-L136 WeakPolarHBondContact O-CB 3.06Å; A132-L136 PolarHBondContact O-N 3.01Å; A132-Q140 HydrophobicContact CB-CB 4.18Å; A132-Q140 HydrophobicContact CB-CG 4.33Å; A132-M142 HydrophobicContact CB-CE 3.77Å; A132-M142 HydrophobicContact CB-SD 3.88Å
133P98.6Very high95.8Very high3 Ų326.2 Ų26.22%0.01916%0.16CC..Hα-helixtrans-66.2-36.8175.125.3-33.2000112.2A11 D129 N130 F135 G137 Q140A11-P133 HydrophobicContact CB-CB 4.21Å; A11-P133 VanDerWaalsContact CB-O 3.25Å; A11-P133 WeakPolarHBondContact CB-O 3.16Å; D129-P133 WeakPolarHBondContact O-CD 3.29Å; D129-P133 WeakPolarHBondContact O-CG 3.37Å; N130-P133 WeakPolarHBondContact O-CD 3.38Å; N130-P133 WeakPolarHBondContact O-CG 3.35Å; P133-F135 VanDerWaalsContact C-N 3.26Å; P133-F135 PolarHBondContact O-N 2.95Å; P133-G137 VanDerWaalsContact O-CA 3.23Å; P133-G137 WeakPolarHBondContact O-CA 3.26Å; P133-G137 PolarHBondContact O-N 3.33Å; P133-Q140 HydrophobicContact CB-CB 4.32Å; P133-Q140 HydrophobicContact CB-CG 3.96Å
134C98.7Very high96.3Very high31 Ų3130.9 Ų30.921%0.20918%0.181CC..Hα-helixtrans-59.1-39.1176.8-177.10000111.9V92 N130 V131 A132 G292 A293V92-C134 HydrophobicContact CG2-CB 3.93Å; N130-C134 WeakPolarHBondContact O-CB 3.32Å; N130-C134 PolarHBondContact O-N 3.38Å; V131-C134 PolarHBondContact O-N 3.47Å; A132-C134 VanDerWaalsContact C-N 3.34Å; A132-C134 PolarHBondContact O-N 3.39Å; C134-G292 CarbonylContact O-C 3.54Å; C134-G292 WeakPolarHBondContact O-CA 3.26Å; C134-A293 PolarHBondContact O-N 3.14Å
135F98.7Very high96.7Very high18 Ų1833.2 Ų33.28%0.07917%0.172CC..Hα-helixtrans-80.6-52.1179-179.1-138.7000112.8V92 M96 D108 L111 L112 M115 V131 A132 P133 A293V92-F135 HydrophobicContact CG1-CB 3.8Å; V92-F135 HydrophobicContact CG1-CD2 4.07Å; V92-F135 HydrophobicContact CG1-CG 4.34Å; V92-F135 HydrophobicContact CG2-CB 4.21Å; M96-F135 HydrophobicContact SD-CE2 4.48Å; D108-F135 HydrophobicContact CB-CE1 3.86Å; D108-F135 HydrophobicContact CB-CZ 4.23Å; L111-F135 HydrophobicContact CB-CE1 4.32Å; L111-F135 HydrophobicContact CB-CZ 4.42Å; L111-F135 HydrophobicContact CD1-CE2 4.49Å; L111-F135 HydrophobicContact CD1-CZ 3.9Å; L112-F135 HydrophobicContact CB-CD1 4.42Å; M115-F135 HydrophobicContact CE-CB 4.3Å; M115-F135 HydrophobicContact CE-CD1 4.04Å; M115-F135 HydrophobicContact CE-CD2 3.87Å; M115-F135 HydrophobicContact CE-CE1 4.34Å; M115-F135 HydrophobicContact CE-CE2 4.19Å; M115-F135 HydrophobicContact CE-CG 3.81Å; M115-F135 HydrophobicContact CE-CZ 4.43Å; M115-F135 HydrophobicContact SD-CB 3.97Å; M115-F135 HydrophobicContact SD-CD1 4.04Å; M115-F135 HydrophobicContact SD-CG 3.97Å; V131-F135 WeakPolarHBondContact O-CB 3.33Å; V131-F135 PolarHBondContact O-N 2.81Å; A132-F135 PolarHBondContact O-N 3.4Å; P133-F135 VanDerWaalsContact C-N 3.26Å; P133-F135 PolarHBondContact O-N 2.95Å; F135-A293 HydrophobicContact CD2-CB 4.36Å; F135-A293 PolarHBondContact O-N 3.18Å
136L98.5Very high97Very high52 Ų5237.3 Ų37.327%0.27219%0.191SC..Hα-helixtrans-95.2-8.2-168.1-58.1176.2000114.4L112 A132L112-L136 HydrophobicContact CD2-CD1 4.08Å; A132-L136 WeakPolarHBondContact O-CB 3.06Å; A132-L136 PolarHBondContact O-N 3.01Å
137G98.3Very high96.9Very high0 Ų040 Ų400%021%0.206CC..  trans73.2176.2-176.200000114P133 Q140 D289P133-G137 VanDerWaalsContact O-CA 3.23Å; P133-G137 WeakPolarHBondContact O-CA 3.26Å; P133-G137 PolarHBondContact O-N 3.33Å; G137-Q140 PolarHBondContact O-NE2 3.38Å; G137-D289 CarbonylContact C-O 3.45Å; G137-D289 WeakPolarHBondContact CA-O 3.41Å
138G98Very high97Very high8 Ų842.5 Ų42.58%0.08222%0.219CC..SBendtrans64-152.7178.100000113A10 A11 D289A10-G138 VanDerWaalsContact CA-O 3.32Å; A10-G138 WeakPolarHBondContact CA-O 3.43Å; A11-G138 PolarHBondContact N-O 2.93Å; G138-D289 PolarHBondContact N-O 3.12Å
139M98.5Very high97Very high2 Ų242.2 Ų42.21%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-101.9129.5171.6-169.6-175.3-39.700108.6M1 L8 G9 A10 Q152 V153 F198 L288M1-M139 HydrophobicContact CE-CE 3.49Å; M1-M139 VanDerWaalsContact CE-CE 3.49Å; M1-M139 HydrophobicContact CE-CG 4.45Å; M1-M139 HydrophobicContact CE-SD 3.74Å; L8-M139 HydrophobicContact CD1-CG 3.82Å; L8-M139 HydrophobicContact CD1-SD 3.98Å; L8-M139 HydrophobicContact CD2-SD 4.19Å; L8-M139 HydrophobicContact CG-CG 4.31Å; L8-M139 HydrophobicContact CG-SD 4.36Å; G9-M139 CarbonylContact O-C 3.59Å; G9-M139 VanDerWaalsContact O-CA 3.31Å; G9-M139 WeakPolarHBondContact O-CA 3.34Å; G9-M139 WeakPolarHBondContact O-CG 3.42Å; A10-M139 HydrophobicContact CB-CB 4.33Å; A10-M139 HydrophobicContact CB-CG 4.25Å; M139-Q152 CarbonylContact O-C 3.54Å; M139-Q152 WeakPolarHBondContact O-CA 3.38Å; M139-V153 HydrophobicContact CB-CB 4.32Å; M139-V153 HydrophobicContact CG-CB 4.26Å; M139-V153 PolarHBondContact O-N 2.77Å; M139-V153 HydrophobicContact SD-CB 4.12Å; M139-V153 HydrophobicContact SD-CG1 4.04Å; M139-F198 HydrophobicContact CE-CZ 4.15Å; M139-F198 HydrophobicContact SD-CE1 3.67Å; M139-F198 HydrophobicContact SD-CZ 3.78Å; M139-L288 HydrophobicContact CE-CD1 4.41Å
140Q98.7Very high97.1Very high3 Ų342 Ų421%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-118.6127.4-175.5-63-67.6-21.700110L8 G9 A132 P133 G137 M142 S150 Q151L8-Q140 WeakPolarHBondContact CA-O 3.19Å; G9-Q140 PolarHBondContact N-O 3.03Å; G9-Q140 PolarHBondContact O-N 3.3Å; A132-Q140 HydrophobicContact CB-CB 4.18Å; A132-Q140 HydrophobicContact CB-CG 4.33Å; P133-Q140 HydrophobicContact CB-CB 4.32Å; P133-Q140 HydrophobicContact CB-CG 3.96Å; G137-Q140 PolarHBondContact O-NE2 3.38Å; Q140-M142 HydrophobicContact CB-CE 3.55Å; Q140-M142 WeakPolarHBondContact O-CE 3.46Å; Q140-S150 PolarHBondContact OE1-OG 2.94Å; Q140-Q151 WeakPolarHBondContact CA-O 3.47Å; Q140-Q151 PolarHBondContact OE1-O 3.42Å
141L98.6Very high97.1Very high37 Ų3744.7 Ų44.719%0.19423%0.231CC..EExtended strand (participates in β ladder)trans-97.3123.4170.5177.570.6000108.7V7 L8 I143 S150 Q151 V153 I199V7-L141 CarbonylContact O-C 3.26Å; V7-L141 WeakPolarHBondContact O-CA 3.23Å; V7-L141 WeakPolarHBondContact O-CD1 3.49Å; L8-L141 HydrophobicContact CD1-CB 4.24Å; L8-L141 HydrophobicContact CD1-CD1 4.34Å; L141-I143 HydrophobicContact CD2-CD1 3.92Å; L141-I143 HydrophobicContact CG-CD1 4.02Å; L141-S150 CarbonylContact O-C 3.57Å; L141-S150 WeakPolarHBondContact O-CA 3.29Å; L141-S150 WeakPolarHBondContact O-CB 3.23Å; L141-Q151 PolarHBondContact N-O 2.91Å; L141-Q151 PolarHBondContact O-N 3.14Å; L141-V153 HydrophobicContact CB-CG2 3.65Å; L141-I199 HydrophobicContact CD1-CD1 4.33Å; L141-I199 HydrophobicContact CD2-CD1 4.27Å
142M98.1Very high97.1Very high13 Ų1350.4 Ų50.46%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-73.1129.6176.1-50.2-48.8116.700109.5V7 Y128 A132 Q140 I149V7-M142 PolarHBondContact O-N 3.39Å; Y128-M142 VanDerWaalsContact C-SD 3.58Å; Y128-M142 WeakPolarHBondContact CB-SD 3.4Å; A132-M142 HydrophobicContact CB-CE 3.77Å; A132-M142 HydrophobicContact CB-SD 3.88Å; Q140-M142 HydrophobicContact CB-CE 3.55Å; Q140-M142 WeakPolarHBondContact O-CE 3.46Å; M142-I149 WeakPolarHBondContact CA-O 3.23Å
143I97.4Very high97.1Very high64 Ų6450.7 Ų50.733%0.32826%0.259SS..EExtended strand (participates in β ladder)trans-111.6-48.9-177.9-55.8-59000110.1L141 E145 I148 I149 Q151L141-I143 HydrophobicContact CD2-CD1 3.92Å; L141-I143 HydrophobicContact CG-CD1 4.02Å; I143-E145 HydrophobicContact CG2-CB 4.16Å; I143-E145 PolarHBondContact O-N 2.96Å; I143-I148 HydrophobicContact CB-CG2 4.1Å; I143-I148 HydrophobicContact CG1-CG2 4.15Å; I143-I148 HydrophobicContact CG2-CG2 4.42Å; I143-I149 PolarHBondContact N-O 3.21Å; I143-Q151 HydrophobicContact CG1-CB 4.47Å; I143-Q151 HydrophobicContact CG1-CG 4.24Å
144E94.9Very high97.1Very high109 Ų10952.6 Ų52.651%0.50927%0.271SS..EExtended strand (participates in β ladder)trans51.837.8179-60.3-179.573.600114.1Y128 I148 I149Y128-E144 HydrophobicContact CD2-CG 4.15Å; Y128-E144 HydrophobicContact CE2-CG 4.18Å; Y128-E144 VanDerWaalsContact CE2-OE1 3.3Å; Y128-E144 WeakPolarHBondContact CE2-OE1 3.45Å; E144-I148 VanDerWaalsContact CA-O 3.29Å; E144-I148 WeakPolarHBondContact CA-O 3.45Å; E144-I148 PolarHBondContact N-O 2.95Å; E144-I149 PolarHBondContact N-O 3.2Å
145E93.8Very high96.9Very high121 Ų12151.7 Ų51.757%0.56527%0.268SS*.EExtended strand (participates in β ladder)trans-146.7151.2-178.3-172.757.3-100.900110.1I143 D147 I148I143-E145 HydrophobicContact CG2-CB 4.16Å; I143-E145 PolarHBondContact O-N 2.96Å; E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.19Å; E145-I148 PolarHBondContact N-O 3.3Å; E145-I148 WeakPolarHBondContact O-CB 3.46Å; E145-I148 PolarHBondContact O-N 3.36Å
146N91.5Very high96.9Very high129 Ų12951.1 Ų51.169%0.6927%0.265SS*.THydrogen-bonded Turntrans51.943.1-178.3-56.8-58.4000114.4I148N146-I148 PolarHBondContact O-N 2.88Å; N146-I148 VanDerWaalsContact O-N 3.13Å
147D90.8Very high96.7Very high155 Ų15555.8 Ų55.883%0.82929%0.29SS*.THydrogen-bonded Turntrans59.617.2-176.3-60-46.5000115E145E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.19Å
148I95.7Very high96.6Very high60 Ų6059.9 Ų59.931%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-108.1112177.3-61.8162.7000108.5I143 E144 E145 N146 Q151I143-I148 HydrophobicContact CB-CG2 4.1Å; I143-I148 HydrophobicContact CG1-CG2 4.15Å; I143-I148 HydrophobicContact CG2-CG2 4.42Å; E144-I148 VanDerWaalsContact CA-O 3.29Å; E144-I148 WeakPolarHBondContact CA-O 3.45Å; E144-I148 PolarHBondContact N-O 2.95Å; E145-I148 PolarHBondContact N-O 3.3Å; E145-I148 WeakPolarHBondContact O-CB 3.46Å; E145-I148 PolarHBondContact O-N 3.36Å; N146-I148 PolarHBondContact O-N 2.88Å; N146-I148 VanDerWaalsContact O-N 3.13Å; I148-Q151 HydrophobicContact CG2-CG 3.67Å
149I97.7Very high96.6Very high21 Ų2159.9 Ų59.911%0.10831%0.307CS..EExtended strand (participates in β ladder)trans-74.5-47.5174.3-64.2170.9000110.3T109 L112 A113 Y128 M142 I143 E144T109-I149 HydrophobicContact CG2-CD1 4.38Å; T109-I149 WeakPolarHBondContact O-CD1 3.12Å; L112-I149 HydrophobicContact CB-CD1 3.91Å; L112-I149 HydrophobicContact CD2-CB 3.84Å; L112-I149 HydrophobicContact CD2-CD1 4.14Å; L112-I149 HydrophobicContact CD2-CG2 3.64Å; L112-I149 HydrophobicContact CG-CB 4.38Å; L112-I149 HydrophobicContact CG-CD1 3.86Å; L112-I149 HydrophobicContact CG-CG2 3.96Å; A113-I149 HydrophobicContact CB-CD1 4.01Å; Y128-I149 HydrophobicContact CD1-CG2 3.54Å; Y128-I149 HydrophobicContact CD2-CG2 3.89Å; Y128-I149 HydrophobicContact CE1-CD1 4.18Å; Y128-I149 HydrophobicContact CE1-CG2 3.91Å; Y128-I149 HydrophobicContact CE2-CG2 4.25Å; Y128-I149 HydrophobicContact CG-CG2 3.52Å; M142-I149 WeakPolarHBondContact CA-O 3.23Å; I143-I149 PolarHBondContact N-O 3.21Å; E144-I149 PolarHBondContact N-O 3.2Å
150S98.2Very high96.6Very high15 Ų1561.1 Ų61.111%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-149.9161-178.369.50000112.8Q140 L141Q140-S150 PolarHBondContact OE1-OG 2.94Å; L141-S150 CarbonylContact O-C 3.57Å; L141-S150 WeakPolarHBondContact O-CA 3.29Å; L141-S150 WeakPolarHBondContact O-CB 3.23Å
151Q97.9Very high96.6Very high98 Ų9861.3 Ų61.346%0.45831%0.314SS..EExtended strand (participates in β ladder)trans-135.8150172.7-70.3-173.9-27.700111.6Q140 L141 I143 I148Q140-Q151 WeakPolarHBondContact CA-O 3.47Å; Q140-Q151 PolarHBondContact OE1-O 3.42Å; L141-Q151 PolarHBondContact N-O 2.91Å; L141-Q151 PolarHBondContact O-N 3.14Å; I143-Q151 HydrophobicContact CG1-CB 4.47Å; I143-Q151 HydrophobicContact CG1-CG 4.24Å; I148-Q151 HydrophobicContact CG2-CG 3.67Å
152Q98Very high96.6Very high119 Ų11959.5 Ų59.556%0.55631%0.305SS*.EExtended strand (participates in β ladder)trans-65.3141.4177.1-75.5-174.711.600112M139 Y203M139-Q152 CarbonylContact O-C 3.54Å; M139-Q152 WeakPolarHBondContact O-CA 3.38Å; Q152-Y203 PolarHBondContact O-OH 3.15Å; Q152-Y203 VanDerWaalsContact O-OH 3.06Å
153V98.6Very high96.6Very high7 Ų759.1 Ų59.14%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-114.4130.3169.61790000108.1L8 M139 L141 G155 I199 C202 Y203L8-V153 HydrophobicContact CD1-CG2 4.29Å; M139-V153 HydrophobicContact CB-CB 4.32Å; M139-V153 HydrophobicContact CG-CB 4.26Å; M139-V153 PolarHBondContact O-N 2.77Å; M139-V153 HydrophobicContact SD-CB 4.12Å; M139-V153 HydrophobicContact SD-CG1 4.04Å; L141-V153 HydrophobicContact CB-CG2 3.65Å; V153-G155 PolarHBondContact O-N 2.9Å; V153-I199 HydrophobicContact CG1-CD1 3.95Å; V153-I199 HydrophobicContact CG2-CD1 3.83Å; V153-C202 HydrophobicContact CG1-CB 3.7Å; V153-Y203 HydrophobicContact CG1-CE2 4.4Å
154P98Very high96.7Very high42 Ų4256.1 Ų56.127%0.27329%0.287SS..  trans-63.1129.6178.524.6-32.4000111C202 Y203P154-C202 HydrophobicContact CG-CB 4.26Å; P154-C202 VanDerWaalsContact O-CB 3.27Å; P154-C202 WeakPolarHBondContact O-CB 3.17Å; P154-C202 PolarHBondContact O-SG 2.9Å; P154-C202 VanDerWaalsContact O-SG 3.37Å; P154-Y203 VanDerWaalsContact CD-CZ 3.43Å; P154-Y203 HydrophobicContact CG-CD1 3.83Å; P154-Y203 HydrophobicContact CG-CD2 4.23Å; P154-Y203 HydrophobicContact CG-CE1 3.94Å; P154-Y203 HydrophobicContact CG-CE2 4.31Å; P154-Y203 HydrophobicContact CG-CG 3.99Å
155G96Very high96.8Very high13 Ų1351.2 Ų51.213%0.13426%0.264CS..  trans-90.1-171.1171.900000112.6V153 R205V153-G155 PolarHBondContact O-N 2.9Å; G155-R205 PolarHBondContact O-NH1 3.3Å
156F97.6Very high97Very high5 Ų545.5 Ų45.52%0.02224%0.238CC..  trans-117.6125.7175.9-59.4-85.5000108.3E158 W159 P207 A210F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 HydrophobicContact CB-CG 4.4Å; F156-E158 PolarHBondContact O-N 2.96Å; F156-W159 HydrophobicContact CB-CB 4.32Å; F156-W159 HydrophobicContact CB-CD2 3.74Å; F156-W159 HydrophobicContact CB-CE3 4.26Å; F156-W159 HydrophobicContact CB-CG 3.75Å; F156-W159 AromaticContact CD2-CD2 3.71Å; F156-W159 HydrophobicContact CD2-CD2 3.71Å; F156-W159 AromaticContact CD2-CE2 3.6Å; F156-W159 AromaticContact CD2-CE3 3.65Å; F156-W159 HydrophobicContact CD2-CE3 3.65Å; F156-W159 AromaticContact CD2-CH2 3.5Å; F156-W159 HydrophobicContact CD2-CH2 3.5Å; F156-W159 VanDerWaalsContact CD2-CH2 3.5Å; F156-W159 AromaticContact CD2-CZ2 3.5Å; F156-W159 HydrophobicContact CD2-CZ2 3.5Å; F156-W159 AromaticContact CD2-CZ3 3.56Å; F156-W159 HydrophobicContact CD2-CZ3 3.56Å; F156-W159 AromaticContact CE2-CH2 3.61Å; F156-W159 HydrophobicContact CE2-CH2 3.61Å; F156-W159 AromaticContact CE2-CZ2 3.78Å; F156-W159 HydrophobicContact CE2-CZ2 3.78Å; F156-W159 HydrophobicContact CE2-CZ3 4.01Å; F156-W159 HydrophobicContact CG-CD2 4.07Å; F156-W159 AromaticContact CG-CE2 3.93Å; F156-W159 HydrophobicContact CG-CE3 4.4Å; F156-W159 HydrophobicContact CG-CZ2 4.2Å; F156-W159 WeakPolarHBondContact O-CB 3.42Å; F156-W159 PolarHBondContact O-N 2.78Å; F156-P207 HydrophobicContact CD1-CB 3.65Å; F156-P207 HydrophobicContact CD1-CG 4.26Å; F156-P207 HydrophobicContact CE1-CB 3.75Å; F156-P207 HydrophobicContact CE1-CG 4.27Å; F156-P207 HydrophobicContact CG-CB 4.08Å; F156-P207 HydrophobicContact CZ-CB 4.27Å; F156-A210 HydrophobicContact CE2-CB 3.56Å; F156-A210 HydrophobicContact CZ-CB 3.81Å
157D94.9Very high97.3Very high151 Ų15139.5 Ų39.581%0.80721%0.207SC*.THydrogen-bonded Turntrans-73.1-25.3-172.2-61.2-32.1000111.5W159D157-W159 PolarHBondContact O-N 2.89Å
158E95Very high97.5Very high86 Ų8634.6 Ų34.640%0.40218%0.18SC..THydrogen-bonded Turntrans-73.4-11.9175.565.5-90.8-146.700113.6F156F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 HydrophobicContact CB-CG 4.4Å; F156-E158 PolarHBondContact O-N 2.96Å
159W98.2Very high97.5Very high8 Ų839.5 Ų39.53%0.0320%0.199CC..  trans-83.4126.6-177.5-77.95000112.8F156 D157 W161 F198 P207 A210 A211 M214 L257F156-W159 HydrophobicContact CB-CB 4.32Å; F156-W159 HydrophobicContact CB-CD2 3.74Å; F156-W159 HydrophobicContact CB-CE3 4.26Å; F156-W159 HydrophobicContact CB-CG 3.75Å; F156-W159 AromaticContact CD2-CD2 3.71Å; F156-W159 HydrophobicContact CD2-CD2 3.71Å; F156-W159 AromaticContact CD2-CE2 3.6Å; F156-W159 AromaticContact CD2-CE3 3.65Å; F156-W159 HydrophobicContact CD2-CE3 3.65Å; F156-W159 AromaticContact CD2-CH2 3.5Å; F156-W159 HydrophobicContact CD2-CH2 3.5Å; F156-W159 VanDerWaalsContact CD2-CH2 3.5Å; F156-W159 AromaticContact CD2-CZ2 3.5Å; F156-W159 HydrophobicContact CD2-CZ2 3.5Å; F156-W159 AromaticContact CD2-CZ3 3.56Å; F156-W159 HydrophobicContact CD2-CZ3 3.56Å; F156-W159 AromaticContact CE2-CH2 3.61Å; F156-W159 HydrophobicContact CE2-CH2 3.61Å; F156-W159 AromaticContact CE2-CZ2 3.78Å; F156-W159 HydrophobicContact CE2-CZ2 3.78Å; F156-W159 HydrophobicContact CE2-CZ3 4.01Å; F156-W159 HydrophobicContact CG-CD2 4.07Å; F156-W159 AromaticContact CG-CE2 3.93Å; F156-W159 HydrophobicContact CG-CE3 4.4Å; F156-W159 HydrophobicContact CG-CZ2 4.2Å; F156-W159 WeakPolarHBondContact O-CB 3.42Å; F156-W159 PolarHBondContact O-N 2.78Å; D157-W159 PolarHBondContact O-N 2.89Å; W159-W161 HydrophobicContact CE3-CH2 4.29Å; W159-W161 AromaticContact CE3-CZ2 3.73Å; W159-W161 HydrophobicContact CE3-CZ2 3.73Å; W159-W161 HydrophobicContact CZ3-CH2 4.34Å; W159-W161 HydrophobicContact CZ3-CZ2 4.14Å; W159-F198 HydrophobicContact CH2-CE2 4.44Å; W159-P207 HydrophobicContact CZ2-CB 4.28Å; W159-P207 WeakPolarHBondContact CZ2-O 3.35Å; W159-A210 HydrophobicContact CH2-CB 3.65Å; W159-A210 HydrophobicContact CZ2-CB 4.02Å; W159-A211 HydrophobicContact CZ2-CB 4.14Å; W159-M214 HydrophobicContact CH2-SD 4.27Å; W159-M214 HydrophobicContact CZ3-SD 4.32Å; W159-L257 HydrophobicContact CB-CD1 3.72Å; W159-L257 HydrophobicContact CD2-CD1 3.74Å; W159-L257 HydrophobicContact CD2-CD2 3.63Å; W159-L257 HydrophobicContact CD2-CG 4Å; W159-L257 HydrophobicContact CE3-CD1 3.7Å; W159-L257 HydrophobicContact CE3-CD2 3.56Å; W159-L257 HydrophobicContact CE3-CG 4.17Å; W159-L257 HydrophobicContact CG-CD1 3.78Å; W159-L257 HydrophobicContact CG-CD2 4.33Å; W159-L257 HydrophobicContact CG-CG 4.2Å; W159-L257 HydrophobicContact CH2-CD2 3.7Å; W159-L257 HydrophobicContact CZ2-CD2 3.79Å; W159-L257 HydrophobicContact CZ3-CD1 4.47Å; W159-L257 HydrophobicContact CZ3-CD2 3.6Å
160L98.7Very high97.2Very high28 Ų2838.9 Ų38.915%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-107.3132.2170.5-63.3173.8000110V15 L257 C258 P261 A264 I285 C286V15-L160 HydrophobicContact CG1-CD2 3.86Å; L160-L257 WeakPolarHBondContact O-CA 3.42Å; L160-C258 PolarHBondContact N-O 3.22Å; L160-C258 PolarHBondContact O-N 2.77Å; L160-P261 HydrophobicContact CD1-CB 4.24Å; L160-P261 HydrophobicContact CD1-CG 4.15Å; L160-A264 HydrophobicContact CB-CB 4.04Å; L160-A264 HydrophobicContact CD1-CB 3.72Å; L160-I285 HydrophobicContact CB-CG2 4.14Å; L160-I285 HydrophobicContact CD1-CG2 4.33Å; L160-I285 HydrophobicContact CD2-CG2 4.29Å; L160-C286 CarbonylContact C-O 3.53Å; L160-C286 WeakPolarHBondContact CA-O 3.28Å
161W98.6Very high96.8Very high6 Ų640.9 Ų40.92%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-104.2101.6-179.7-6085.1000109.2M1 W159 L163 M214 F255 L257 C286M1-W161 HydrophobicContact CE-CH2 3.17Å; M1-W161 HydrophobicContact CE-CZ2 3.61Å; M1-W161 HydrophobicContact CE-CZ3 4.08Å; M1-W161 HydrophobicContact SD-CH2 3.35Å; M1-W161 WeakPolarHBondContact SD-CH2 3.08Å; M1-W161 HydrophobicContact SD-CZ2 3.98Å; M1-W161 HydrophobicContact SD-CZ3 3.65Å; W159-W161 HydrophobicContact CE3-CH2 4.29Å; W159-W161 AromaticContact CE3-CZ2 3.73Å; W159-W161 HydrophobicContact CE3-CZ2 3.73Å; W159-W161 HydrophobicContact CZ3-CH2 4.34Å; W159-W161 HydrophobicContact CZ3-CZ2 4.14Å; W161-L163 HydrophobicContact CB-CD2 4.48Å; W161-L163 PolarHBondContact O-N 3.17Å; W161-M214 HydrophobicContact CH2-CE 3.67Å; W161-M214 HydrophobicContact CH2-SD 4.48Å; W161-M214 HydrophobicContact CZ3-CE 3.76Å; W161-F255 AromaticContact CE3-CD2 3.87Å; W161-F255 HydrophobicContact CE3-CD2 3.87Å; W161-F255 HydrophobicContact CE3-CE2 4.46Å; W161-F255 HydrophobicContact CE3-CG 4.43Å; W161-F255 AromaticContact CZ3-CD2 3.72Å; W161-F255 HydrophobicContact CZ3-CD2 3.72Å; W161-F255 AromaticContact CZ3-CE2 3.85Å; W161-F255 HydrophobicContact CZ3-CE2 3.85Å; W161-F255 HydrophobicContact CZ3-CG 4.49Å; W161-L257 HydrophobicContact CD2-CD1 3.71Å; W161-L257 HydrophobicContact CE3-CD1 3.89Å; W161-L257 HydrophobicContact CG-CD1 4.33Å; W161-L257 HydrophobicContact CH2-CD1 3.73Å; W161-L257 HydrophobicContact CH2-CD2 4.32Å; W161-L257 HydrophobicContact CZ2-CD1 3.61Å; W161-L257 HydrophobicContact CZ3-CD1 3.9Å; W161-C286 HydrophobicContact CB-CB 4.24Å; W161-C286 PolarHBondContact N-O 3.4Å; W161-C286 WeakPolarHBondContact O-CB 3.23Å; W161-C286 PolarHBondContact O-N 3.01Å
162V98.8Very high96.3Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-82.4112.8172.8-170.10000108.6F255 A256 A264 V267 A268 L271 V283 H284 I285V162-F255 CarbonylContact O-C 3.52Å; V162-F255 VanDerWaalsContact O-CA 3.29Å; V162-F255 WeakPolarHBondContact O-CA 3.28Å; V162-A256 HydrophobicContact CB-CB 4.36Å; V162-A256 PolarHBondContact N-O 3.17Å; V162-A256 PolarHBondContact O-N 3.31Å; V162-A264 HydrophobicContact CG2-CB 3.92Å; V162-V267 HydrophobicContact CB-CG1 4.03Å; V162-V267 HydrophobicContact CG1-CG1 4.06Å; V162-V267 HydrophobicContact CG2-CB 4.37Å; V162-V267 HydrophobicContact CG2-CG1 4.07Å; V162-A268 HydrophobicContact CG1-CB 3.82Å; V162-L271 HydrophobicContact CG1-CD1 3.96Å; V162-V283 HydrophobicContact CG1-CG1 3.72Å; V162-H284 CarbonylContact C-O 3.59Å; V162-H284 WeakPolarHBondContact CA-O 3.36Å; V162-I285 HydrophobicContact CG2-CG1 4.31Å
163L98.6Very high95.8Very high5 Ų535 Ų353%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-103.1125.9179.6-54178000109V12 L20 L84 W161 T253 L254 F255 V283 H284 C286V12-L163 HydrophobicContact CB-CD1 4.27Å; V12-L163 HydrophobicContact CG2-CD1 3.61Å; L20-L163 HydrophobicContact CD2-CD1 4.39Å; L84-L163 HydrophobicContact CD2-CD1 4.02Å; W161-L163 HydrophobicContact CB-CD2 4.48Å; W161-L163 PolarHBondContact O-N 3.17Å; L163-T253 HydrophobicContact CB-CG2 4.47Å; L163-L254 WeakPolarHBondContact CA-O 3.49Å; L163-F255 HydrophobicContact CD2-CB 3.67Å; L163-V283 CarbonylContact O-C 3.54Å; L163-V283 VanDerWaalsContact O-CA 3.23Å; L163-V283 WeakPolarHBondContact O-CA 3.37Å; L163-H284 PolarHBondContact N-O 3.21Å; L163-H284 PolarHBondContact O-N 2.96Å; L163-C286 HydrophobicContact CD1-CB 4.32Å
164A98.7Very high95.4Very high0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-123.3106.7176.800000110.2P166 T253 L254 L271 Y275 F282 V283A164-P166 WeakPolarHBondContact O-CD 3.41Å; A164-T253 WeakPolarHBondContact O-CA 3.43Å; A164-L254 PolarHBondContact N-O 3.28Å; A164-L254 PolarHBondContact O-N 3.23Å; A164-L271 HydrophobicContact CB-CB 3.86Å; A164-L271 HydrophobicContact CB-CD1 3.83Å; A164-L271 HydrophobicContact CB-CD2 4.27Å; A164-L271 HydrophobicContact CB-CG 4.2Å; A164-Y275 HydrophobicContact CB-CD1 3.76Å; A164-Y275 HydrophobicContact CB-CE1 4.31Å; A164-Y275 WeakPolarHBondContact O-CE1 3.23Å; A164-F282 WeakPolarHBondContact CA-O 3.49Å; A164-V283 HydrophobicContact CB-CG1 4.43Å; A164-V283 HydrophobicContact CB-CG2 3.89Å
165Y98.3Very high95.2Very high6 Ų637.5 Ų37.52%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-86.9116.7172.3167.8-119.7000108.9P79 G167 I168 L276 G281 F282P79-Y165 HydrophobicContact CB-CD1 4.45Å; P79-Y165 HydrophobicContact CB-CE1 3.74Å; P79-Y165 HydrophobicContact CB-CE2 4.19Å; P79-Y165 HydrophobicContact CG-CD1 3.83Å; P79-Y165 HydrophobicContact CG-CD2 4.33Å; P79-Y165 HydrophobicContact CG-CE1 3.61Å; P79-Y165 HydrophobicContact CG-CE2 4.14Å; P79-Y165 HydrophobicContact CG-CG 4.18Å; Y165-G167 VanDerWaalsContact CE1-CA 3.47Å; Y165-G167 VanDerWaalsContact CZ-CA 3.45Å; Y165-G167 PolarHBondContact O-N 3.42Å; Y165-I168 WeakPolarHBondContact CE2-O 3.44Å; Y165-I168 PolarHBondContact OH-O 3.07Å; Y165-L276 VanDerWaalsContact O-CD2 3.23Å; Y165-L276 WeakPolarHBondContact O-CD2 3.42Å; Y165-G281 CarbonylContact O-C 3.59Å; Y165-G281 WeakPolarHBondContact O-CA 3.47Å; Y165-F282 AromaticContact CD1-CD1 3.7Å; Y165-F282 HydrophobicContact CD1-CD1 3.7Å; Y165-F282 AromaticContact CD1-CE1 3.47Å; Y165-F282 HydrophobicContact CD1-CE1 3.47Å; Y165-F282 VanDerWaalsContact CD1-CE1 3.47Å; Y165-F282 HydrophobicContact CD1-CG 4.44Å; Y165-F282 HydrophobicContact CD1-CZ 4.04Å; Y165-F282 HydrophobicContact CE1-CE1 4.29Å; Y165-F282 HydrophobicContact CG-CD1 4.47Å; Y165-F282 HydrophobicContact CG-CE1 4.09Å; Y165-F282 HydrophobicContact CG-CZ 4.19Å; Y165-F282 PolarHBondContact N-O 3.28Å; Y165-F282 PolarHBondContact O-N 2.91Å
166P97.9Very high94.9Very high1 Ų139 Ų391%0.00620%0.204CC..  trans-76.6-3.2-171.527.5-33.2000114.9A164 I168 P252 Y275 Q277A164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-I168 HydrophobicContact CB-CG1 4.33Å; P166-I168 HydrophobicContact CG-CG1 3.88Å; P166-P252 WeakPolarHBondContact CD-O 3.41Å; P166-P252 HydrophobicContact CG-CB 3.72Å; P166-P252 HydrophobicContact CG-CG 3.88Å; P166-P252 WeakPolarHBondContact CG-O 3.48Å; P166-Y275 HydrophobicContact CB-CD1 4.2Å; P166-Y275 HydrophobicContact CB-CE1 3.98Å; P166-Y275 HydrophobicContact CG-CE1 4.02Å; P166-Q277 HydrophobicContact CB-CG 4.06Å; P166-Q277 WeakPolarHBondContact O-CB 3.19Å; P166-Q277 PolarHBondContact O-N 2.96Å
167G96.8Very high94.7Very high4 Ų442.9 Ų42.94%0.04124%0.237CC..SBendtrans874.1-177.500000115Y165 N278Y165-G167 VanDerWaalsContact CE1-CA 3.47Å; Y165-G167 VanDerWaalsContact CZ-CA 3.45Å; Y165-G167 PolarHBondContact O-N 3.42Å; G167-N278 WeakPolarHBondContact CA-OD1 3.41Å; G167-N278 PolarHBondContact O-ND2 3.25Å; G167-N278 PolarHBondContact O-OD1 2.83Å
168I95.7Very high94.7Very high52 Ų5237.4 Ų37.427%0.26721%0.207SC..  trans-111.8165.7173.358.3168000109.8Y165 P166 P228 P252 Q277Y165-I168 WeakPolarHBondContact CE2-O 3.44Å; Y165-I168 PolarHBondContact OH-O 3.07Å; P166-I168 HydrophobicContact CB-CG1 4.33Å; P166-I168 HydrophobicContact CG-CG1 3.88Å; I168-P228 HydrophobicContact CD1-CG 4.14Å; I168-P252 HydrophobicContact CD1-CB 4.35Å; I168-P252 HydrophobicContact CG1-CB 4.1Å; I168-P252 HydrophobicContact CG1-CG 3.86Å; I168-P252 WeakPolarHBondContact O-CG 3.46Å; I168-Q277 HydrophobicContact CG2-CB 4.12Å; I168-Q277 HydrophobicContact CG2-CG 4.42Å
169K94.7Very high94.7Very high162 Ų16234.8 Ų34.870%0.70420%0.195SC*.  trans-118.7148.4178.669.3178.7-177.6179.50111.9I80 G81I80-K169 WeakPolarHBondContact O-CB 3.35Å; G81-K169 CarbonylContact O-C 3.4Å; G81-K169 WeakPolarHBondContact O-CA 3.35Å
170V92.9Very high94.6Very high8 Ų836.3 Ų36.35%0.04821%0.206CC..  trans-128.1127.9167.4177.80000106.9G81 A175 L226 L227 P252G81-V170 CarbonylContact C-O 3.45Å; G81-V170 WeakPolarHBondContact CA-O 3.23Å; G81-V170 PolarHBondContact O-N 2.92Å; G81-V170 VanDerWaalsContact O-O 3.12Å; V170-A175 HydrophobicContact CG1-CB 3.96Å; V170-L226 HydrophobicContact CG1-CD1 3.98Å; V170-L226 HydrophobicContact CG2-CB 4.46Å; V170-L227 HydrophobicContact CG2-CD2 4.01Å; V170-P252 HydrophobicContact CG2-CB 4.13Å; V170-P252 HydrophobicContact CG2-CG 4.25Å
171S89.5Confident94.6Very high57 Ų5740.1 Ų40.140%0.39924%0.242SC..  trans-72.2139.3178.375.50000110.5A173 E174 A175S171-A173 PolarHBondContact O-N 3.43Å; S171-E174 PolarHBondContact O-N 3.42Å; S171-E174 WeakPolarHBondContact OG-CB 3.46Å; S171-E174 PolarHBondContact OG-N 3.38Å; S171-E174 VanDerWaalsContact OG-N 3.16Å; S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 2.79Å
172T87.2Confident94.5Very high41 Ų4148 Ų4825%0.25228%0.279SS..Hα-helixtrans-57.8-38.9177.9-520000111.3A175 R176T172-A175 PolarHBondContact O-N 3.42Å; T172-R176 WeakPolarHBondContact O-CB 3.48Å; T172-R176 WeakPolarHBondContact O-CG 3.21Å; T172-R176 PolarHBondContact O-N 3.46Å
173A87.7Confident94.5Very high52 Ų5251 Ų5143%0.4329%0.29SS..Hα-helixtrans-62.3-47177.800000112.3S171 R176 A177S171-A173 PolarHBondContact O-N 3.43Å; A173-R176 PolarHBondContact O-N 2.92Å; A173-A177 WeakPolarHBondContact O-CB 3.47Å; A173-A177 PolarHBondContact O-N 3.18Å
174E90.2Very high94.5Very high102 Ų10258.6 Ų58.648%0.47732%0.319SS..Hα-helixtrans-63.1-44.4175.8-178.6-177.3-174.900111.7S171 R176 A177 I178S171-E174 PolarHBondContact O-N 3.42Å; S171-E174 WeakPolarHBondContact OG-CB 3.46Å; S171-E174 PolarHBondContact OG-N 3.38Å; S171-E174 VanDerWaalsContact OG-N 3.16Å; E174-R176 PolarHBondContact O-N 2.85Å; E174-A177 PolarHBondContact O-N 2.99Å; E174-I178 PolarHBondContact O-N 3.16Å; E174-I178 VanDerWaalsContact O-N 3.16Å
175A92.5Very high94.5Very high0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-66.9-18.5177.100000113.7V170 S171 T172 I178 R223 L226V170-A175 HydrophobicContact CG1-CB 3.96Å; S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 2.79Å; T172-A175 PolarHBondContact O-N 3.42Å; A175-I178 WeakPolarHBondContact O-CG2 3.21Å; A175-R223 PolarHBondContact O-NE 3.31Å; A175-R223 PolarHBondContact O-NH2 3.15Å; A175-L226 HydrophobicContact CB-CD1 4.46Å
176R91.1Very high94.5Very high46 Ų4672.7 Ų72.717%0.17438%0.376CS..Hα-helixtrans-86.2-44.1169.4-77.3-174.9178.8-75.7-5.3111.3D6 S125 H127 T172 A173 E174 I178 L179D6-R176 IonicContact OD1-CZ 3.51Å; D6-R176 IonicContact OD1-NH1 3.06Å; D6-R176 PolarHBondContact OD1-NH1 2.86Å; D6-R176 IonicContact OD1-NH2 2.85Å; D6-R176 PolarHBondContact OD1-NH2 3.4Å; D6-R176 IonicContact OD2-CZ 3.2Å; D6-R176 IonicContact OD2-NH1 3.49Å; D6-R176 PolarHBondContact OD2-NH1 3.02Å; D6-R176 IonicContact OD2-NH2 2.92Å; D6-R176 PolarHBondContact OD2-NH2 3.01Å; S125-R176 PolarHBondContact OG-NE 3.24Å; H127-R176 PolarHBondContact CD2-NH2 2.88Å; T172-R176 WeakPolarHBondContact O-CB 3.48Å; T172-R176 WeakPolarHBondContact O-CG 3.21Å; T172-R176 PolarHBondContact O-N 3.46Å; A173-R176 PolarHBondContact O-N 2.92Å; E174-R176 PolarHBondContact O-N 2.85Å; R176-I178 PolarHBondContact O-N 3.31Å; R176-I178 VanDerWaalsContact O-N 3.14Å; R176-L179 WeakPolarHBondContact O-CB 3.42Å; R176-L179 WeakPolarHBondContact O-CG 3.22Å; R176-L179 PolarHBondContact O-N 3.38Å; R176-L179 VanDerWaalsContact O-N 3.1Å
177A92.3Very high94.5Very high86 Ų8673.9 Ų73.971%0.71138%0.383SS*.Hα-helixtrans-61.3-24.5-178.200000113.7A173 E174 L179A173-A177 WeakPolarHBondContact O-CB 3.47Å; A173-A177 PolarHBondContact O-N 3.18Å; E174-A177 PolarHBondContact O-N 2.99Å; A177-L179 VanDerWaalsContact C-N 3.3Å
178I94.5Very high94.6Very high35 Ų3576.8 Ų76.818%0.17940%0.402CS..THydrogen-bonded Turntrans-78.4-11.1179.5-160.5157.9000114.4E174 A175 R176 R223 R225 L226E174-I178 PolarHBondContact O-N 3.16Å; E174-I178 VanDerWaalsContact O-N 3.16Å; A175-I178 WeakPolarHBondContact O-CG2 3.21Å; R176-I178 PolarHBondContact O-N 3.31Å; R176-I178 VanDerWaalsContact O-N 3.14Å; I178-R223 HydrophobicContact CG2-CG 4.28Å; I178-R225 HydrophobicContact CD1-CG 3.92Å; I178-R225 VanDerWaalsContact CG1-NE 3.32Å; I178-R225 PolarHBondContact O-NH2 2.98Å; I178-L226 HydrophobicContact CD1-CD1 3.81Å; I178-L226 HydrophobicContact CD1-CD2 3.67Å; I178-L226 HydrophobicContact CD1-CG 3.7Å; I178-L226 HydrophobicContact CG2-CD1 4.22Å
179L95.6Very high94.7Very high32 Ų3278.1 Ų78.117%0.16841%0.409CS..SBendtrans-78.3140.9-179.4-58-176.9000110.7F5 R176 A177 A219 Y222 R223F5-L179 HydrophobicContact CE1-CD1 4.26Å; F5-L179 HydrophobicContact CE2-CD1 3.9Å; F5-L179 HydrophobicContact CZ-CD1 3.49Å; F5-L179 VanDerWaalsContact CZ-CD1 3.49Å; R176-L179 WeakPolarHBondContact O-CB 3.42Å; R176-L179 WeakPolarHBondContact O-CG 3.22Å; R176-L179 PolarHBondContact O-N 3.38Å; R176-L179 VanDerWaalsContact O-N 3.1Å; A177-L179 VanDerWaalsContact C-N 3.3Å; L179-A219 HydrophobicContact CD1-CB 4.45Å; L179-A219 HydrophobicContact CD2-CB 3.97Å; L179-Y222 HydrophobicContact CD2-CD2 4.47Å; L179-R223 HydrophobicContact CD2-CG 4.34Å
180P97Very high94.9Very high40 Ų4071 Ų7126%0.2638%0.38SS..  trans-69.2146.8178.431.1-37.4000111.3Q182 Y183 Y222P180-Q182 PolarHBondContact O-N 2.74Å; P180-Y183 WeakPolarHBondContact CD-OH 3.28Å; P180-Y183 HydrophobicContact CG-CD1 4.25Å; P180-Y183 HydrophobicContact CG-CD2 4.49Å; P180-Y183 HydrophobicContact CG-CE1 3.69Å; P180-Y183 HydrophobicContact CG-CE2 3.95Å; P180-Y183 WeakPolarHBondContact O-CE2 3.36Å; P180-Y222 HydrophobicContact CG-CD1 4.27Å; P180-Y222 HydrophobicContact CG-CD2 4.42Å; P180-Y222 HydrophobicContact CG-CE1 3.75Å; P180-Y222 HydrophobicContact CG-CE2 3.95Å
181A97Very high95.1Very high108 Ų10872.6 Ų72.689%0.89339%0.387SS*.SBendtrans-71.8-16.8174.600000113.2
182Q98.1Very high95.6Very high172 Ų17271.7 Ų71.780%0.80439%0.387SS*.  trans-139140.1-178.2-65.6-178.3-5.200110.7P180P180-Q182 PolarHBondContact O-N 2.74Å
183Y98.2Very high96.1Very high61 Ų6176.6 Ų76.624%0.23940%0.401CS..  trans-117.8155.3175.6-66.2-98.9000109.7P180 I218 Y222P180-Y183 WeakPolarHBondContact CD-OH 3.28Å; P180-Y183 HydrophobicContact CG-CD1 4.25Å; P180-Y183 HydrophobicContact CG-CD2 4.49Å; P180-Y183 HydrophobicContact CG-CE1 3.69Å; P180-Y183 HydrophobicContact CG-CE2 3.95Å; P180-Y183 WeakPolarHBondContact O-CE2 3.36Å; Y183-I218 HydrophobicContact CD1-CD1 4.22Å; Y183-I218 HydrophobicContact CE1-CD1 4.17Å; Y183-I218 HydrophobicContact CE1-CG2 4.35Å; Y183-I218 WeakPolarHBondContact CE1-O 3.23Å; Y183-I218 PolarHBondContact OH-O 3.47Å; Y183-Y222 AromaticContact CE1-CE2 3.72Å; Y183-Y222 HydrophobicContact CE1-CE2 3.72Å
184R98.3Very high96.6Very high166 Ų16675.2 Ų75.263%0.62639%0.385SS*.  trans-68.8145.2172.9-55175.9-60.3161.73.8108.4Q186 D187 C188R184-Q186 PolarHBondContact O-N 3.48Å; R184-D187 WeakPolarHBondContact CB-OD2 3.36Å; R184-D187 IonicContact CZ-OD1 3.64Å; R184-D187 IonicContact CZ-OD2 3.74Å; R184-D187 IonicContact NE-OD1 2.68Å; R184-D187 IonicContact NE-OD2 3.8Å; R184-D187 PolarHBondContact NE-OD2 2.77Å; R184-D187 IonicContact NH2-OD1 3.93Å; R184-D187 PolarHBondContact NH2-OD1 3.25Å; R184-D187 IonicContact NH2-OD2 3.75Å; R184-D187 PolarHBondContact NH2-OD2 3.45Å; R184-D187 WeakPolarHBondContact O-CB 3.45Å; R184-D187 PolarHBondContact O-N 3.36Å; R184-C188 PolarHBondContact O-N 2.96Å
185R98.2Very high97.1Very high203 Ų20371.8 Ų71.877%0.76637%0.37SS*.Hα-helixtrans-46.4-38.4173.2-177.3178.965.4-127.8-0112.9C188 I189R185-C188 PolarHBondContact O-N 3.23Å; R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.33Å; R185-I189 PolarHBondContact O-N 2.98Å
186Q98.3Very high97.3Very high98 Ų9875 Ų7546%0.45840%0.396SS..Hα-helixtrans-68.1-33-179.2-169.455.349.800113.4R184 A190R184-Q186 PolarHBondContact O-N 3.48Å; Q186-A190 WeakPolarHBondContact O-CB 3.45Å; Q186-A190 PolarHBondContact O-N 2.79Å
187D98.3Very high97.7Very high26 Ų2673.7 Ų73.714%0.13940%0.397CS..Hα-helixtrans-71.9-39.9177.1-57.5-38.7000109.7R184 I189 A190 H191 V217R184-D187 WeakPolarHBondContact CB-OD2 3.36Å; R184-D187 IonicContact CZ-OD1 3.64Å; R184-D187 IonicContact CZ-OD2 3.74Å; R184-D187 IonicContact NE-OD1 2.68Å; R184-D187 IonicContact NE-OD2 3.8Å; R184-D187 PolarHBondContact NE-OD2 2.77Å; R184-D187 IonicContact NH2-OD1 3.93Å; R184-D187 PolarHBondContact NH2-OD1 3.25Å; R184-D187 IonicContact NH2-OD2 3.75Å; R184-D187 PolarHBondContact NH2-OD2 3.45Å; R184-D187 WeakPolarHBondContact O-CB 3.45Å; R184-D187 PolarHBondContact O-N 3.36Å; D187-I189 PolarHBondContact O-N 2.96Å; D187-A190 PolarHBondContact O-N 3.42Å; D187-H191 WeakPolarHBondContact O-CB 3.42Å; D187-H191 PolarHBondContact O-N 2.92Å; D187-V217 WeakPolarHBondContact O-CG2 3.36Å
188C98.5Very high98Very high66 Ų6669.6 Ų69.645%0.44636%0.363SS..Hα-helixtrans-61.9-43.3173.4-50.90000112.2R184 R185 A190 H191 G192R184-C188 PolarHBondContact O-N 2.96Å; R185-C188 PolarHBondContact O-N 3.23Å; C188-A190 VanDerWaalsContact C-N 3.32Å; C188-A190 PolarHBondContact O-N 2.82Å; C188-H191 PolarHBondContact O-N 3.32Å; C188-G192 PolarHBondContact O-N 3.09Å
189I98.5Very high98.2Very high80 Ų8069.4 Ų69.441%0.4136%0.363SS..Hα-helixtrans-61.6-42174.5-69.7167.2000110.7R185 D187 R193R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.33Å; R185-I189 PolarHBondContact O-N 2.98Å; D187-I189 PolarHBondContact O-N 2.96Å; I189-R193 WeakPolarHBondContact O-CB 3.17Å; I189-R193 PolarHBondContact O-N 2.8Å
190A98.6Very high98.4Very high13 Ų1373 Ų7311%0.10738%0.378CS..Hα-helixtrans-65.3-44.417800000111.7Q186 D187 C188 R193 H194 V217Q186-A190 WeakPolarHBondContact O-CB 3.45Å; Q186-A190 PolarHBondContact O-N 2.79Å; D187-A190 PolarHBondContact O-N 3.42Å; C188-A190 VanDerWaalsContact C-N 3.32Å; C188-A190 PolarHBondContact O-N 2.82Å; A190-R193 PolarHBondContact O-N 2.86Å; A190-H194 PolarHBondContact O-N 2.67Å; A190-H194 PolarHBondContact O-ND1 3.48Å; A190-V217 HydrophobicContact CB-CG2 4.4Å
191H98.6Very high98.5Very high41 Ų4171.1 Ų71.119%0.1937%0.366CS..Hα-helixtrans-56.6-51.6175.2176.456.5000111.5V3 D187 C188 R193 H194 L195 V217 I218V3-H191 PolarHBondContact O-CE1 3.23Å; V3-H191 VanDerWaalsContact O-CE1 3.3Å; V3-H191 PolarHBondContact O-ND1 3.28Å; D187-H191 WeakPolarHBondContact O-CB 3.42Å; D187-H191 PolarHBondContact O-N 2.92Å; C188-H191 PolarHBondContact O-N 3.32Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 2.78Å; H191-H194 PolarHBondContact O-N 3.35Å; H191-L195 WeakPolarHBondContact O-CB 3.39Å; H191-L195 PolarHBondContact O-N 3.36Å; H191-V217 HydrophobicContact CB-CG2 3.75Å; H191-I218 HydrophobicContact CB-CD1 4.05Å; H191-I218 HydrophobicContact CB-CG1 4.17Å
192G98.6Very high98.5Very high38 Ų3866 Ų6639%0.39232%0.324SS..Hα-helixtrans-59.4-40.617700000112.9C188 A196C188-G192 PolarHBondContact O-N 3.09Å; G192-A196 WeakPolarHBondContact O-CB 3.41Å; G192-A196 PolarHBondContact O-N 2.92Å
193R98.7Very high98.6Very high144 Ų14464.5 Ų64.554%0.54331%0.311SS..Hα-helixtrans-63.3-46.4176.2-175-167.5-59.3145-1.1112.3I189 A190 H191 G197I189-R193 WeakPolarHBondContact O-CB 3.17Å; I189-R193 PolarHBondContact O-N 2.8Å; A190-R193 PolarHBondContact O-N 2.86Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 2.78Å; R193-G197 PolarHBondContact O-N 3.23Å
194H98.7Very high98.6Very high22 Ų2263.8 Ų63.810%0.10232%0.316CS..Hα-helixtrans-64.8-48.8-179.1-63.3159.3000110.9V3 A190 H191 F198 K215V3-H194 HydrophobicContact CG2-CB 3.83Å; A190-H194 PolarHBondContact O-N 2.67Å; A190-H194 PolarHBondContact O-ND1 3.48Å; H191-H194 PolarHBondContact O-N 3.35Å; H194-F198 VanDerWaalsContact O-CB 3.23Å; H194-F198 WeakPolarHBondContact O-CB 3.48Å; H194-F198 PolarHBondContact O-N 2.72Å; H194-K215 WeakPolarHBondContact ND1-CB 3.42Å; H194-K215 PolarHBondContact ND1-O 2.98Å; H194-K215 VanDerWaalsContact ND1-O 3.07Å
195L98.7Very high98.6Very high30 Ų3061.6 Ų61.616%0.15731%0.307CS..Hα-helixtrans-63.6-51-179.8-17760.5000112V7 H191 G197 F198 I199V7-L195 HydrophobicContact CG2-CD1 4.49Å; V7-L195 HydrophobicContact CG2-CD2 3.73Å; H191-L195 WeakPolarHBondContact O-CB 3.39Å; H191-L195 PolarHBondContact O-N 3.36Å; L195-G197 VanDerWaalsContact C-N 3.33Å; L195-G197 PolarHBondContact O-N 3.35Å; L195-F198 PolarHBondContact O-N 2.85Å; L195-I199 HydrophobicContact CD1-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 2.93Å
196A98.7Very high98.6Very high67 Ų6755.8 Ų55.855%0.55429%0.289SS*.Hα-helixtrans-61.4-42.7179.900000112G192 H200G192-A196 WeakPolarHBondContact O-CB 3.41Å; G192-A196 PolarHBondContact O-N 2.92Å; A196-H200 WeakPolarHBondContact O-CB 3.26Å; A196-H200 PolarHBondContact O-N 3.45Å
197G98.7Very high98.6Very high19 Ų1952.9 Ų52.920%0.19628%0.278CS..Hα-helixtrans-68-37177.400000112.8R193 L195 H200 A201 L213R193-G197 PolarHBondContact O-N 3.23Å; L195-G197 VanDerWaalsContact C-N 3.33Å; L195-G197 PolarHBondContact O-N 3.35Å; G197-H200 PolarHBondContact O-N 3.11Å; G197-A201 VanDerWaalsContact O-CB 3.28Å; G197-A201 WeakPolarHBondContact O-CB 3.42Å; G197-A201 PolarHBondContact O-N 3.14Å; G197-L213 WeakPolarHBondContact O-CD1 3.46Å
198F98.8Very high98.5Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-62.1-49.1175.9173.5-91.2000110.5M1 V3 L8 M139 W159 H194 L195 H200 A201 C202 A210 L213 M214M1-F198 HydrophobicContact CE-CZ 3.94Å; V3-F198 HydrophobicContact CG1-CB 4.39Å; V3-F198 HydrophobicContact CG1-CD1 4.01Å; V3-F198 HydrophobicContact CG1-CD2 4.2Å; V3-F198 HydrophobicContact CG1-CE1 4.38Å; V3-F198 HydrophobicContact CG1-CG 3.93Å; V3-F198 HydrophobicContact CG2-CB 4.16Å; L8-F198 HydrophobicContact CD2-CD1 3.96Å; L8-F198 HydrophobicContact CD2-CE1 3.52Å; L8-F198 HydrophobicContact CD2-CZ 4.28Å; M139-F198 HydrophobicContact CE-CZ 4.15Å; M139-F198 HydrophobicContact SD-CE1 3.67Å; M139-F198 HydrophobicContact SD-CZ 3.78Å; W159-F198 HydrophobicContact CH2-CE2 4.44Å; H194-F198 VanDerWaalsContact O-CB 3.23Å; H194-F198 WeakPolarHBondContact O-CB 3.48Å; H194-F198 PolarHBondContact O-N 2.72Å; L195-F198 PolarHBondContact O-N 2.85Å; F198-H200 PolarHBondContact O-N 2.87Å; F198-A201 PolarHBondContact O-N 3.31Å; F198-A201 VanDerWaalsContact O-N 3.16Å; F198-C202 PolarHBondContact O-N 3.42Å; F198-A210 HydrophobicContact CD2-CB 4.17Å; F198-A210 HydrophobicContact CE2-CB 4.25Å; F198-L213 HydrophobicContact CB-CB 4.23Å; F198-M214 HydrophobicContact CD2-CG 3.89Å; F198-M214 HydrophobicContact CE2-CG 3.76Å; F198-M214 HydrophobicContact CE2-SD 4.15Å
199I98.7Very high98.5Very high32 Ų3258.1 Ų58.116%0.16430%0.297CS..Hα-helixtrans-59.8-46.2175.9-63.9-61.1000110.8L8 L141 V153 L195 A201 C202 Y203L8-I199 HydrophobicContact CD1-CD1 4.43Å; L141-I199 HydrophobicContact CD1-CD1 4.33Å; L141-I199 HydrophobicContact CD2-CD1 4.27Å; V153-I199 HydrophobicContact CG1-CD1 3.95Å; V153-I199 HydrophobicContact CG2-CD1 3.83Å; L195-I199 HydrophobicContact CD1-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 2.93Å; I199-A201 VanDerWaalsContact C-N 3.32Å; I199-A201 PolarHBondContact O-N 3.19Å; I199-C202 WeakPolarHBondContact O-CB 3.48Å; I199-C202 PolarHBondContact O-N 3.3Å; I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 HydrophobicContact CG2-CE2 4.12Å; I199-Y203 WeakPolarHBondContact O-CD2 3.25Å; I199-Y203 PolarHBondContact O-N 3.49Å; I199-Y203 VanDerWaalsContact O-N 3.14Å
200H98.8Very high98.5Very high108 Ų10854.3 Ų54.350%0.528%0.277SS..Hα-helixtrans-56.2-46.3174.4171.478.8000111.9A196 G197 F198 C202 Y203 S204 Q206A196-H200 WeakPolarHBondContact O-CB 3.26Å; A196-H200 PolarHBondContact O-N 3.45Å; G197-H200 PolarHBondContact O-N 3.11Å; F198-H200 PolarHBondContact O-N 2.87Å; H200-C202 PolarHBondContact O-N 3.08Å; H200-Y203 PolarHBondContact O-N 3.26Å; H200-S204 VanDerWaalsContact O-CB 3.32Å; H200-S204 WeakPolarHBondContact O-CB 3.41Å; H200-S204 PolarHBondContact O-N 3.18Å; H200-S204 PolarHBondContact O-OG 2.79Å; H200-Q206 PolarHBondContact NE2-NE2 2.78Å
201A98.7Very high98.5Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-64.8-37.2-178.700000112.6G197 F198 I199 S204 R205 Q206 L209 A210G197-A201 VanDerWaalsContact O-CB 3.28Å; G197-A201 WeakPolarHBondContact O-CB 3.42Å; G197-A201 PolarHBondContact O-N 3.14Å; F198-A201 PolarHBondContact O-N 3.31Å; F198-A201 VanDerWaalsContact O-N 3.16Å; I199-A201 VanDerWaalsContact C-N 3.32Å; I199-A201 PolarHBondContact O-N 3.19Å; A201-S204 WeakPolarHBondContact CA-OG 3.43Å; A201-R205 PolarHBondContact O-N 3.07Å; A201-Q206 HydrophobicContact CB-CB 4.28Å; A201-Q206 PolarHBondContact O-N 3.19Å; A201-L209 HydrophobicContact CB-CB 4.04Å; A201-L209 HydrophobicContact CB-CD2 4Å; A201-L209 HydrophobicContact CB-CG 3.9Å; A201-A210 HydrophobicContact CB-CB 3.7Å
202C98.6Very high98.4Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-58.1-52.9171.1-78.70000111.7V153 P154 F198 I199 H200 R205V153-C202 HydrophobicContact CG1-CB 3.7Å; P154-C202 HydrophobicContact CG-CB 4.26Å; P154-C202 VanDerWaalsContact O-CB 3.27Å; P154-C202 WeakPolarHBondContact O-CB 3.17Å; P154-C202 PolarHBondContact O-SG 2.9Å; P154-C202 VanDerWaalsContact O-SG 3.37Å; F198-C202 PolarHBondContact O-N 3.42Å; I199-C202 WeakPolarHBondContact O-CB 3.48Å; I199-C202 PolarHBondContact O-N 3.3Å; H200-C202 PolarHBondContact O-N 3.08Å; C202-R205 PolarHBondContact O-N 3.43Å
203Y98.6Very high98.4Very high140 Ų14057.7 Ų57.755%0.54928%0.281SS..Hα-helixtrans-72.6-29.3-177.5-82.1-81.1000113.9Q152 V153 P154 I199 H200 R205Q152-Y203 PolarHBondContact O-OH 3.15Å; Q152-Y203 VanDerWaalsContact O-OH 3.06Å; V153-Y203 HydrophobicContact CG1-CE2 4.4Å; P154-Y203 VanDerWaalsContact CD-CZ 3.43Å; P154-Y203 HydrophobicContact CG-CD1 3.83Å; P154-Y203 HydrophobicContact CG-CD2 4.23Å; P154-Y203 HydrophobicContact CG-CE1 3.94Å; P154-Y203 HydrophobicContact CG-CE2 4.31Å; P154-Y203 HydrophobicContact CG-CG 3.99Å; I199-Y203 HydrophobicContact CG2-CD2 3.98Å; I199-Y203 HydrophobicContact CG2-CE2 4.12Å; I199-Y203 WeakPolarHBondContact O-CD2 3.25Å; I199-Y203 PolarHBondContact O-N 3.49Å; I199-Y203 VanDerWaalsContact O-N 3.14Å; H200-Y203 PolarHBondContact O-N 3.26Å; Y203-R205 VanDerWaalsContact C-N 3.35Å
204S98.6Very high98.4Very high47 Ų4751.1 Ų51.133%0.32926%0.257SS..THydrogen-bonded Turntrans-90.75.517659.70000113.9H200 A201 Q206H200-S204 VanDerWaalsContact O-CB 3.32Å; H200-S204 WeakPolarHBondContact O-CB 3.41Å; H200-S204 PolarHBondContact O-N 3.18Å; H200-S204 PolarHBondContact O-OG 2.79Å; A201-S204 WeakPolarHBondContact CA-OG 3.43Å; S204-Q206 PolarHBondContact O-N 3.1Å; S204-Q206 PolarHBondContact OG-NE2 2.95Å
205R98.2Very high98.4Very high119 Ų11955.1 Ų55.145%0.44927%0.274SS..THydrogen-bonded Turntrans56.145.6178-54.2-60.6-63.5-174.4-1.1113.9G155 A201 C202 Y203 P207G155-R205 PolarHBondContact O-NH1 3.3Å; A201-R205 PolarHBondContact O-N 3.07Å; C202-R205 PolarHBondContact O-N 3.43Å; Y203-R205 VanDerWaalsContact C-N 3.35Å; R205-P207 WeakPolarHBondContact O-CD 3.45Å
206Q98.4Very high98.3Very high81 Ų8154.7 Ų54.738%0.37927%0.271SS..  trans-108.779.7177.7-65.3-179.781.800111.2H200 A201 S204 E208 L209 A210H200-Q206 PolarHBondContact NE2-NE2 2.78Å; A201-Q206 HydrophobicContact CB-CB 4.28Å; A201-Q206 PolarHBondContact O-N 3.19Å; S204-Q206 PolarHBondContact O-N 3.1Å; S204-Q206 PolarHBondContact OG-NE2 2.95Å; Q206-E208 PolarHBondContact O-N 3.21Å; Q206-L209 HydrophobicContact CB-CB 3.88Å; Q206-L209 HydrophobicContact CB-CD2 4.4Å; Q206-L209 PolarHBondContact O-N 3.07Å; Q206-A210 PolarHBondContact O-N 3.07Å
207P97.9Very high98.3Very high37 Ų3753 Ų5324%0.2425%0.254CS..Hα-helixtrans-60.1-43-172.721.7-32.5000113.1F156 W159 R205 L209 A210 A211F156-P207 HydrophobicContact CD1-CB 3.65Å; F156-P207 HydrophobicContact CD1-CG 4.26Å; F156-P207 HydrophobicContact CE1-CB 3.75Å; F156-P207 HydrophobicContact CE1-CG 4.27Å; F156-P207 HydrophobicContact CG-CB 4.08Å; F156-P207 HydrophobicContact CZ-CB 4.27Å; W159-P207 HydrophobicContact CZ2-CB 4.28Å; W159-P207 WeakPolarHBondContact CZ2-O 3.35Å; R205-P207 WeakPolarHBondContact O-CD 3.45Å; P207-L209 VanDerWaalsContact C-N 3.3Å; P207-L209 PolarHBondContact O-N 3.2Å; P207-A210 PolarHBondContact O-N 2.94Å; P207-A211 PolarHBondContact O-N 3.25Å
208E97.5Very high98.3Very high144 Ų14453 Ų5367%0.67325%0.25SC*.Hα-helixtrans-62.3-38.1178.7-66.6-173.4-163.200112.9Q206 K212Q206-E208 PolarHBondContact O-N 3.21Å; E208-K212 WeakPolarHBondContact O-CB 3.4Å; E208-K212 VanDerWaalsContact O-CG 3.26Å; E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3.36Å; E208-K212 VanDerWaalsContact O-N 3.08Å; E208-K212 IonicContact OE2-NZ 3.31Å
209L98.3Very high98.2Very high58 Ų5853.1 Ų53.130%0.30425%0.25SS..Hα-helixtrans-67.9-44.6176.7179.560.9000110.2A201 Q206 P207 A211 K212 L213A201-L209 HydrophobicContact CB-CB 4.04Å; A201-L209 HydrophobicContact CB-CD2 4Å; A201-L209 HydrophobicContact CB-CG 3.9Å; Q206-L209 HydrophobicContact CB-CB 3.88Å; Q206-L209 HydrophobicContact CB-CD2 4.4Å; Q206-L209 PolarHBondContact O-N 3.07Å; P207-L209 VanDerWaalsContact C-N 3.3Å; P207-L209 PolarHBondContact O-N 3.2Å; L209-A211 PolarHBondContact O-N 2.86Å; L209-K212 PolarHBondContact O-N 3.25Å; L209-L213 HydrophobicContact CD1-CD1 3.76Å; L209-L213 HydrophobicContact CD1-CG 4.19Å; L209-L213 HydrophobicContact CG-CD1 3.8Å; L209-L213 WeakPolarHBondContact O-CD1 3.38Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.38Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-L213 VanDerWaalsContact O-N 3.14Å
210A98.5Very high98.1Very high0 Ų051.9 Ų51.90%024%0.244CC..Hα-helixtrans-57.6-49.9177.200000111.1F156 W159 F198 A201 Q206 P207 K212 L213 M214F156-A210 HydrophobicContact CE2-CB 3.56Å; F156-A210 HydrophobicContact CZ-CB 3.81Å; W159-A210 HydrophobicContact CH2-CB 3.65Å; W159-A210 HydrophobicContact CZ2-CB 4.02Å; F198-A210 HydrophobicContact CD2-CB 4.17Å; F198-A210 HydrophobicContact CE2-CB 4.25Å; A201-A210 HydrophobicContact CB-CB 3.7Å; Q206-A210 PolarHBondContact O-N 3.07Å; P207-A210 PolarHBondContact O-N 2.94Å; A210-K212 PolarHBondContact O-N 2.89Å; A210-L213 PolarHBondContact O-N 3.24Å; A210-L213 VanDerWaalsContact O-N 3.11Å; A210-M214 PolarHBondContact O-N 3.41Å
211A97.9Very high98Very high7 Ų750 Ų506%0.05824%0.241CC..Hα-helixtrans-59.9-43.7177.800000112.5W159 P207 L209 L213 M214 V243 A244 L257W159-A211 HydrophobicContact CZ2-CB 4.14Å; P207-A211 PolarHBondContact O-N 3.25Å; L209-A211 PolarHBondContact O-N 2.86Å; A211-L213 PolarHBondContact O-N 2.99Å; A211-M214 WeakPolarHBondContact O-CB 3.34Å; A211-M214 PolarHBondContact O-N 3Å; A211-M214 VanDerWaalsContact O-N 3.15Å; A211-V243 HydrophobicContact CB-CB 4.04Å; A211-V243 HydrophobicContact CB-CG2 3.93Å; A211-A244 HydrophobicContact CB-CB 4.48Å; A211-L257 HydrophobicContact CB-CD2 4.49Å
212K97.7Very high97.9Very high130 Ų13053 Ų5357%0.56525%0.253SS*.Hα-helixtrans-62.9-23177.3-77170.6-176.3161.30113.8E208 L209 A210 K215E208-K212 WeakPolarHBondContact O-CB 3.4Å; E208-K212 VanDerWaalsContact O-CG 3.26Å; E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3.36Å; E208-K212 VanDerWaalsContact O-N 3.08Å; E208-K212 IonicContact OE2-NZ 3.31Å; L209-K212 PolarHBondContact O-N 3.25Å; A210-K212 PolarHBondContact O-N 2.89Å; K212-K215 WeakPolarHBondContact O-CE 3.47Å
213L98.4Very high97.8Very high26 Ų2653.7 Ų53.714%0.13626%0.255CS..Hα-helixtrans-95.5-4.7-179.7-66.7170.1000113.2V3 G197 F198 L209 A210 A211 K215V3-L213 VanDerWaalsContact CG2-O 3.25Å; V3-L213 WeakPolarHBondContact CG2-O 3.35Å; G197-L213 WeakPolarHBondContact O-CD1 3.46Å; F198-L213 HydrophobicContact CB-CB 4.23Å; L209-L213 HydrophobicContact CD1-CD1 3.76Å; L209-L213 HydrophobicContact CD1-CG 4.19Å; L209-L213 HydrophobicContact CG-CD1 3.8Å; L209-L213 WeakPolarHBondContact O-CD1 3.38Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.38Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-L213 VanDerWaalsContact O-N 3.14Å; A210-L213 PolarHBondContact O-N 3.24Å; A210-L213 VanDerWaalsContact O-N 3.11Å; A211-L213 PolarHBondContact O-N 2.99Å; L213-K215 PolarHBondContact O-N 2.83Å
214M98.2Very high97.6Very high7 Ų749.2 Ų49.23%0.03424%0.239CC..  trans-70.973.6169.9-68.3175.276.200111M1 S2 W159 W161 F198 A210 A211 A244 F255 L257M1-M214 HydrophobicContact CE-CE 4.4Å; M1-M214 VanDerWaalsContact O-CE 3.22Å; M1-M214 WeakPolarHBondContact O-CE 3.37Å; S2-M214 CarbonylContact O-C 3.49Å; W159-M214 HydrophobicContact CH2-SD 4.27Å; W159-M214 HydrophobicContact CZ3-SD 4.32Å; W161-M214 HydrophobicContact CH2-CE 3.67Å; W161-M214 HydrophobicContact CH2-SD 4.48Å; W161-M214 HydrophobicContact CZ3-CE 3.76Å; F198-M214 HydrophobicContact CD2-CG 3.89Å; F198-M214 HydrophobicContact CE2-CG 3.76Å; F198-M214 HydrophobicContact CE2-SD 4.15Å; A210-M214 PolarHBondContact O-N 3.41Å; A211-M214 WeakPolarHBondContact O-CB 3.34Å; A211-M214 PolarHBondContact O-N 3Å; A211-M214 VanDerWaalsContact O-N 3.15Å; M214-A244 HydrophobicContact CB-CB 4.11Å; M214-A244 HydrophobicContact SD-CB 3.93Å; M214-F255 HydrophobicContact CE-CE2 3.51Å; M214-F255 HydrophobicContact CE-CZ 3.77Å; M214-L257 HydrophobicContact CE-CD2 4.34Å; M214-L257 HydrophobicContact SD-CD2 3.61Å
215K97.7Very high97.4Very high106 Ų10654.9 Ų54.946%0.46125%0.254SS..  trans-132.5112.8-178.5-69.5176.6179.4168.90110.7S2 H194 K212 L213S2-K215 CarbonylContact O-C 3.52Å; S2-K215 WeakPolarHBondContact O-CA 3.33Å; S2-K215 PolarHBondContact O-N 3.39Å; H194-K215 WeakPolarHBondContact ND1-CB 3.42Å; H194-K215 PolarHBondContact ND1-O 2.98Å; H194-K215 VanDerWaalsContact ND1-O 3.07Å; K212-K215 WeakPolarHBondContact O-CE 3.47Å; L213-K215 PolarHBondContact O-N 2.83Å
216D98Very high97.2Very high20 Ų2051 Ų5111%0.10724%0.242CC..  trans-91.1120.4174.2-175.815.4000111.5S2 I218 A219 E220S2-D216 PolarHBondContact O-N 3.01Å; S2-D216 WeakPolarHBondContact OG-CB 3.44Å; D216-I218 WeakPolarHBondContact OD1-CA 3.31Å; D216-I218 WeakPolarHBondContact OD1-CB 3.45Å; D216-I218 PolarHBondContact OD1-N 3.48Å; D216-A219 PolarHBondContact OD1-N 3.19Å; D216-A219 WeakPolarHBondContact OD2-CA 3.5Å; D216-A219 WeakPolarHBondContact OD2-CB 3.04Å; D216-A219 PolarHBondContact OD2-N 3.03Å; D216-A219 VanDerWaalsContact OD2-N 3.14Å; D216-E220 HydrophobicContact CB-CB 3.84Å; D216-E220 WeakPolarHBondContact OD2-CB 3.44Å; D216-E220 PolarHBondContact OD2-N 3.36Å
217V97.9Very high97.1Very high32 Ų3247.5 Ų47.519%0.19423%0.225CC..SBendtrans-109.6-0.1174-60.90000112.1D187 A190 H191D187-V217 WeakPolarHBondContact O-CG2 3.36Å; A190-V217 HydrophobicContact CB-CG2 4.4Å; H191-V217 HydrophobicContact CB-CG2 3.75Å
218I98Very high96.9Very high20 Ų2049 Ų4910%0.10324%0.236CC..SBendtrans-97.2-57.7-176.8-58.6-58000110.1F5 Y183 H191 D216 Y222F5-I218 HydrophobicContact CB-CB 4.27Å; F5-I218 HydrophobicContact CB-CG2 4.16Å; F5-I218 HydrophobicContact CD1-CG2 3.93Å; F5-I218 HydrophobicContact CE1-CG2 4.5Å; F5-I218 HydrophobicContact CG-CG2 3.94Å; Y183-I218 HydrophobicContact CD1-CD1 4.22Å; Y183-I218 HydrophobicContact CE1-CD1 4.17Å; Y183-I218 HydrophobicContact CE1-CG2 4.35Å; Y183-I218 WeakPolarHBondContact CE1-O 3.23Å; Y183-I218 PolarHBondContact OH-O 3.47Å; H191-I218 HydrophobicContact CB-CD1 4.05Å; H191-I218 HydrophobicContact CB-CG1 4.17Å; D216-I218 WeakPolarHBondContact OD1-CA 3.31Å; D216-I218 WeakPolarHBondContact OD1-CB 3.45Å; D216-I218 PolarHBondContact OD1-N 3.48Å; I218-Y222 WeakPolarHBondContact O-CD2 3.25Å; I218-Y222 WeakPolarHBondContact O-CE2 3.35Å
219A97.2Very high96.8Very high1 Ų143.7 Ų43.71%0.00822%0.219CC..SBendtrans-107.7-48.1-170.600000114.1F5 L179 D216 P221 Y222 R223F5-A219 HydrophobicContact CD2-CB 3.48Å; F5-A219 VanDerWaalsContact CD2-CB 3.48Å; F5-A219 HydrophobicContact CE2-CB 3.59Å; F5-A219 HydrophobicContact CG-CB 4.46Å; L179-A219 HydrophobicContact CD1-CB 4.45Å; L179-A219 HydrophobicContact CD2-CB 3.97Å; D216-A219 PolarHBondContact OD1-N 3.19Å; D216-A219 WeakPolarHBondContact OD2-CA 3.5Å; D216-A219 WeakPolarHBondContact OD2-CB 3.04Å; D216-A219 PolarHBondContact OD2-N 3.03Å; D216-A219 VanDerWaalsContact OD2-N 3.14Å; A219-P221 VanDerWaalsContact C-CD 3.49Å; A219-Y222 PolarHBondContact O-N 3.25Å; A219-R223 HydrophobicContact CB-CG 4.48Å; A219-R223 PolarHBondContact O-N 3.41Å
220E97.3Very high96.8Very high7 Ų741 Ų413%0.03321%0.205CC..Hα-helixtrans-50.2-46.9-172.9-17417795.400114.5S2 D216 Y222 R223 E224 F230 R234 G246 I247S2-E220 PolarHBondContact OG-OE2 3.33Å; D216-E220 HydrophobicContact CB-CB 3.84Å; D216-E220 WeakPolarHBondContact OD2-CB 3.44Å; D216-E220 PolarHBondContact OD2-N 3.36Å; E220-Y222 PolarHBondContact O-N 2.82Å; E220-Y222 VanDerWaalsContact O-N 3.13Å; E220-R223 PolarHBondContact O-N 2.9Å; E220-E224 WeakPolarHBondContact O-CB 3.27Å; E220-E224 PolarHBondContact O-N 3.38Å; E220-F230 HydrophobicContact CG-CE1 4.25Å; E220-F230 HydrophobicContact CG-CZ 4.46Å; E220-R234 IonicContact OE1-CZ 2.84Å; E220-R234 IonicContact OE1-NH1 2.76Å; E220-R234 PolarHBondContact OE1-NH1 3.15Å; E220-R234 IonicContact OE1-NH2 3.65Å; E220-R234 PolarHBondContact OE1-NH2 3.11Å; E220-G246 WeakPolarHBondContact OE2-CA 3.06Å; E220-I247 HydrophobicContact CB-CD1 4.16Å; E220-I247 HydrophobicContact CG-CD1 3.87Å; E220-I247 HydrophobicContact CG-CG1 4.14Å
221P96.4Very high96.6Very high67 Ų6748.7 Ų48.744%0.43523%0.234SC..Hα-helixtrans-61.4-24.8179.2-23.134.8000114.4A219A219-P221 VanDerWaalsContact C-CD 3.49Å
222Y97.1Very high96.6Very high65 Ų6554.4 Ų54.426%0.25526%0.259SS..Hα-helixtrans-100.4-23.7-178.7-52.2-84.4000112.6L179 P180 Y183 I218 A219 E220 R225L179-Y222 HydrophobicContact CD2-CD2 4.47Å; P180-Y222 HydrophobicContact CG-CD1 4.27Å; P180-Y222 HydrophobicContact CG-CD2 4.42Å; P180-Y222 HydrophobicContact CG-CE1 3.75Å; P180-Y222 HydrophobicContact CG-CE2 3.95Å; Y183-Y222 AromaticContact CE1-CE2 3.72Å; Y183-Y222 HydrophobicContact CE1-CE2 3.72Å; I218-Y222 WeakPolarHBondContact O-CD2 3.25Å; I218-Y222 WeakPolarHBondContact O-CE2 3.35Å; A219-Y222 PolarHBondContact O-N 3.25Å; E220-Y222 PolarHBondContact O-N 2.82Å; E220-Y222 VanDerWaalsContact O-N 3.13Å; Y222-R225 VanDerWaalsContact O-CG 3.23Å; Y222-R225 WeakPolarHBondContact O-CG 3.29Å; Y222-R225 PolarHBondContact O-NE 3.41Å
223R96.5Very high96.6Very high13 Ų1348.2 Ų48.25%0.04923%0.233CC..Hα-helixtrans-86.3-29.9177.8-74.9-175.4174.5168.7-3.9112.8A175 I178 L179 A219 E220 R225 L226 I247 G249A175-R223 PolarHBondContact O-NE 3.31Å; A175-R223 PolarHBondContact O-NH2 3.15Å; I178-R223 HydrophobicContact CG2-CG 4.28Å; L179-R223 HydrophobicContact CD2-CG 4.34Å; A219-R223 HydrophobicContact CB-CG 4.48Å; A219-R223 PolarHBondContact O-N 3.41Å; E220-R223 PolarHBondContact O-N 2.9Å; R223-R225 PolarHBondContact O-N 3.35Å; R223-L226 WeakPolarHBondContact O-CB 3.35Å; R223-L226 PolarHBondContact O-N 2.91Å; R223-I247 HydrophobicContact CB-CD1 3.75Å; R223-G249 PolarHBondContact NH1-O 2.76Å; R223-G249 VanDerWaalsContact NH1-O 3.1Å
224E94.7Very high96.5Very high46 Ų4651 Ų5122%0.21524%0.241CC..G310 helixtrans-56-28.2-176.164.2162.5-161.900113.6E220 L226 L227 F230 R231E220-E224 WeakPolarHBondContact O-CB 3.27Å; E220-E224 PolarHBondContact O-N 3.38Å; E224-L226 PolarHBondContact O-N 2.87Å; E224-L227 PolarHBondContact O-N 3.41Å; E224-F230 HydrophobicContact CB-CD1 3.93Å; E224-F230 HydrophobicContact CB-CE1 4.4Å; E224-R231 IonicContact OE1-CZ 3.57Å; E224-R231 IonicContact OE1-NE 2.8Å; E224-R231 IonicContact OE1-NH2 3.66Å; E224-R231 PolarHBondContact OE1-NH2 2.83Å; E224-R231 IonicContact OE2-NE 3.26Å; E224-R231 IonicContact OE2-NH2 2.74Å
225R94Very high96.5Very high166 Ų16656.3 Ų56.363%0.62627%0.266SS*.G310 helixtrans-64.1-20.5175.159.2-179.9156.2172.1-4.3114.4I178 Y222 R223 L227I178-R225 HydrophobicContact CD1-CG 3.92Å; I178-R225 VanDerWaalsContact CG1-NE 3.32Å; I178-R225 PolarHBondContact O-NH2 2.98Å; Y222-R225 VanDerWaalsContact O-CG 3.23Å; Y222-R225 WeakPolarHBondContact O-CG 3.29Å; Y222-R225 PolarHBondContact O-NE 3.41Å; R223-R225 PolarHBondContact O-N 3.35Å; R225-L227 VanDerWaalsContact C-N 3.3Å
226L94.1Very high96.6Very high38 Ų3851.8 Ų51.820%0.19925%0.249CC..G310 helixtrans-85-6.7174.2-58176.7000112.1V170 A175 I178 R223 E224 P228V170-L226 HydrophobicContact CG1-CD1 3.98Å; V170-L226 HydrophobicContact CG2-CB 4.46Å; A175-L226 HydrophobicContact CB-CD1 4.46Å; I178-L226 HydrophobicContact CD1-CD1 3.81Å; I178-L226 HydrophobicContact CD1-CD2 3.67Å; I178-L226 HydrophobicContact CD1-CG 3.7Å; I178-L226 HydrophobicContact CG2-CD1 4.22Å; R223-L226 WeakPolarHBondContact O-CB 3.35Å; R223-L226 PolarHBondContact O-N 2.91Å; E224-L226 PolarHBondContact O-N 2.87Å; L226-P228 VanDerWaalsContact O-CD 3.26Å; L226-P228 WeakPolarHBondContact O-CD 3.49Å
227L95.8Very high96.6Very high7 Ų750.9 Ų50.94%0.03724%0.244CC..SBendtrans-117.688.8-166.4-51.8-170.1000111.4V170 E224 R225 G229 F230 I247 P252V170-L227 HydrophobicContact CG2-CD2 4.01Å; E224-L227 PolarHBondContact O-N 3.41Å; R225-L227 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 2.91Å; L227-F230 HydrophobicContact CB-CB 3.59Å; L227-F230 HydrophobicContact CB-CG 4.19Å; L227-F230 HydrophobicContact CD1-CB 4.39Å; L227-F230 HydrophobicContact CD1-CD2 3.91Å; L227-F230 HydrophobicContact CD1-CE2 4.41Å; L227-F230 HydrophobicContact CD1-CG 4.09Å; L227-F230 VanDerWaalsContact O-CB 3.29Å; L227-F230 WeakPolarHBondContact O-CB 3.37Å; L227-F230 PolarHBondContact O-N 3.23Å; L227-F230 VanDerWaalsContact O-N 3.14Å; L227-I247 HydrophobicContact CD1-CB 4.47Å; L227-I247 HydrophobicContact CD1-CD1 3.58Å; L227-I247 HydrophobicContact CD1-CG1 3.66Å; L227-I247 HydrophobicContact CD1-CG2 4Å; L227-P252 HydrophobicContact CD2-CB 3.61Å
228P94.1Very high96.6Very high70 Ų7052 Ų5246%0.45526%0.257SS..THydrogen-bonded Turntrans-51.1131.5175.1-26.333.7000112.1I168 L226 F230I168-P228 HydrophobicContact CD1-CG 4.14Å; L226-P228 VanDerWaalsContact O-CD 3.26Å; L226-P228 WeakPolarHBondContact O-CD 3.49Å; P228-F230 PolarHBondContact O-N 3.43Å
229G95.6Very high96.6Very high32 Ų3257.9 Ų57.933%0.3328%0.284SS..THydrogen-bonded Turntrans75-4.9177.500000115.9L227 R231 Q232 A233L227-G229 PolarHBondContact O-N 2.91Å; G229-R231 PolarHBondContact O-N 3.02Å; G229-Q232 PolarHBondContact O-N 2.88Å; G229-Q232 PolarHBondContact O-OE1 2.64Å; G229-A233 WeakPolarHBondContact O-CB 3.43Å; G229-A233 PolarHBondContact O-N 3.21Å
230F96.8Very high96.7Very high1 Ų159.2 Ų59.20%0.00429%0.29CS..Hα-helixtrans-60.1-45.3-174179.3-96.5000113E220 E224 L227 P228 Q232 A233 R234 I247 L254E220-F230 HydrophobicContact CG-CE1 4.25Å; E220-F230 HydrophobicContact CG-CZ 4.46Å; E224-F230 HydrophobicContact CB-CD1 3.93Å; E224-F230 HydrophobicContact CB-CE1 4.4Å; L227-F230 HydrophobicContact CB-CB 3.59Å; L227-F230 HydrophobicContact CB-CG 4.19Å; L227-F230 HydrophobicContact CD1-CB 4.39Å; L227-F230 HydrophobicContact CD1-CD2 3.91Å; L227-F230 HydrophobicContact CD1-CE2 4.41Å; L227-F230 HydrophobicContact CD1-CG 4.09Å; L227-F230 VanDerWaalsContact O-CB 3.29Å; L227-F230 WeakPolarHBondContact O-CB 3.37Å; L227-F230 PolarHBondContact O-N 3.23Å; L227-F230 VanDerWaalsContact O-N 3.14Å; P228-F230 PolarHBondContact O-N 3.43Å; F230-Q232 PolarHBondContact O-N 2.81Å; F230-A233 PolarHBondContact O-N 2.78Å; F230-R234 WeakPolarHBondContact O-CB 3.35Å; F230-R234 PolarHBondContact O-N 2.96Å; F230-I247 HydrophobicContact CD2-CG1 4.27Å; F230-I247 HydrophobicContact CE1-CG1 4.03Å; F230-I247 HydrophobicContact CE2-CB 4.42Å; F230-I247 HydrophobicContact CE2-CG1 3.52Å; F230-I247 HydrophobicContact CZ-CB 4.49Å; F230-I247 HydrophobicContact CZ-CD1 4.32Å; F230-I247 HydrophobicContact CZ-CG1 3.39Å; F230-L254 HydrophobicContact CD2-CB 4.46Å; F230-L254 HydrophobicContact CD2-CD1 3.9Å; F230-L254 HydrophobicContact CE2-CB 4.37Å; F230-L254 HydrophobicContact CE2-CD1 3.86Å; F230-L254 HydrophobicContact CE2-CG 4.18Å
231R96.1Very high96.7Very high161 Ų16160.4 Ų60.461%0.60830%0.304SS*.Hα-helixtrans-63.8-43.8-179.7-172.3-178.5-68.3-172.80.3111.8E224 G229 R234 Q235E224-R231 IonicContact OE1-CZ 3.57Å; E224-R231 IonicContact OE1-NE 2.8Å; E224-R231 IonicContact OE1-NH2 3.66Å; E224-R231 PolarHBondContact OE1-NH2 2.83Å; E224-R231 IonicContact OE2-NE 3.26Å; E224-R231 IonicContact OE2-NH2 2.74Å; G229-R231 PolarHBondContact O-N 3.02Å; R231-R234 PolarHBondContact O-N 2.93Å; R231-Q235 PolarHBondContact O-N 3.41Å; R231-Q235 VanDerWaalsContact O-N 3.15Å
232Q97Very high96.8Very high127 Ų12757.8 Ų57.859%0.59329%0.288SS*.Hα-helixtrans-63.8-43.8176.5-65.884.8-5.200111.1G229 F230 Q235 A236G229-Q232 PolarHBondContact O-N 2.88Å; G229-Q232 PolarHBondContact O-OE1 2.64Å; F230-Q232 PolarHBondContact O-N 2.81Å; Q232-Q235 PolarHBondContact O-N 2.86Å; Q232-A236 PolarHBondContact O-N 2.89Å
233A98.1Very high96.9Very high1 Ų157.3 Ų57.31%0.00829%0.292CS..Hα-helixtrans-62.1-45.6177.600000112G229 F230 Q235 A236 V237 L254 W270 L271 Y275G229-A233 WeakPolarHBondContact O-CB 3.43Å; G229-A233 PolarHBondContact O-N 3.21Å; F230-A233 PolarHBondContact O-N 2.78Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 3.02Å; A233-A236 PolarHBondContact O-N 3.42Å; A233-V237 WeakPolarHBondContact O-CG1 3.34Å; A233-V237 WeakPolarHBondContact O-CG2 3.18Å; A233-V237 PolarHBondContact O-N 3Å; A233-L254 HydrophobicContact CB-CD1 3.84Å; A233-W270 HydrophobicContact CB-CH2 4.19Å; A233-W270 HydrophobicContact CB-CZ3 3.78Å; A233-L271 HydrophobicContact CB-CD2 4.21Å; A233-Y275 HydrophobicContact CB-CD2 3.63Å; A233-Y275 HydrophobicContact CB-CE2 4.04Å; A233-Y275 HydrophobicContact CB-CG 4.31Å
234R97Very high97Very high83 Ų8357.3 Ų57.331%0.31330%0.295SS..Hα-helixtrans-56.3-44.1176178.1171.3-170.4174.219.2112.5E220 F230 R231 V237 A238 S245E220-R234 IonicContact OE1-CZ 2.84Å; E220-R234 IonicContact OE1-NH1 2.76Å; E220-R234 PolarHBondContact OE1-NH1 3.15Å; E220-R234 IonicContact OE1-NH2 3.65Å; E220-R234 PolarHBondContact OE1-NH2 3.11Å; F230-R234 WeakPolarHBondContact O-CB 3.35Å; F230-R234 PolarHBondContact O-N 2.96Å; R231-R234 PolarHBondContact O-N 2.93Å; R234-V237 WeakPolarHBondContact O-CG2 3.2Å; R234-A238 WeakPolarHBondContact O-CB 3.03Å; R234-A238 PolarHBondContact O-N 3.24Å; R234-S245 WeakPolarHBondContact CG-OG 3.48Å
235Q97.9Very high97.1Very high120 Ų12055.6 Ų55.656%0.56129%0.288SS*.Hα-helixtrans-64.5-48.4176.9-178.3178.8-1300111.1R231 Q232 A233 V237 A238 E239R231-Q235 PolarHBondContact O-N 3.41Å; R231-Q235 VanDerWaalsContact O-N 3.15Å; Q232-Q235 PolarHBondContact O-N 2.86Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 3.02Å; Q235-V237 PolarHBondContact O-N 2.6Å; Q235-A238 PolarHBondContact O-N 3.3Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.11Å; Q235-E239 PolarHBondContact NE2-OE1 2.9Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.79Å
236A98.5Very high97.3Very high11 Ų1147.7 Ų47.79%0.09126%0.258CS..Hα-helixtrans-64.1-42.6-177.100000113.1Q232 A233 A238 E239 I240 W270Q232-A236 PolarHBondContact O-N 2.89Å; A233-A236 PolarHBondContact O-N 3.42Å; A236-A238 VanDerWaalsContact C-N 3.29Å; A236-A238 PolarHBondContact O-N 2.91Å; A236-E239 PolarHBondContact O-N 2.97Å; A236-I240 VanDerWaalsContact O-CG1 3.28Å; A236-I240 WeakPolarHBondContact O-CG1 3.38Å; A236-I240 PolarHBondContact O-N 3.14Å; A236-W270 HydrophobicContact CB-CD2 3.92Å; A236-W270 VanDerWaalsContact CB-CE2 3.4Å; A236-W270 HydrophobicContact CB-CE3 4.15Å; A236-W270 HydrophobicContact CB-CH2 3.53Å; A236-W270 HydrophobicContact CB-CZ2 3.2Å; A236-W270 HydrophobicContact CB-CZ3 3.98Å
237V98.6Very high97.5Very high0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-66.7-32.9178.6-58.20000112A233 R234 Q235 I240 G241 A242 A256 V267 L271A233-V237 WeakPolarHBondContact O-CG1 3.34Å; A233-V237 WeakPolarHBondContact O-CG2 3.18Å; A233-V237 PolarHBondContact O-N 3Å; R234-V237 WeakPolarHBondContact O-CG2 3.2Å; Q235-V237 PolarHBondContact O-N 2.6Å; V237-I240 PolarHBondContact O-N 2.99Å; V237-G241 PolarHBondContact O-N 2.85Å; V237-G241 VanDerWaalsContact O-N 3.15Å; V237-A242 HydrophobicContact CB-CB 4.16Å; V237-A242 HydrophobicContact CG2-CB 4.29Å; V237-A242 VanDerWaalsContact O-CB 3.27Å; V237-A242 WeakPolarHBondContact O-CB 3.39Å; V237-A242 PolarHBondContact O-N 3Å; V237-A256 HydrophobicContact CB-CB 4.3Å; V237-A256 HydrophobicContact CG1-CB 4.49Å; V237-A256 HydrophobicContact CG2-CB 4.23Å; V237-V267 HydrophobicContact CB-CG1 4.16Å; V237-V267 HydrophobicContact CB-CG2 4.33Å; V237-V267 HydrophobicContact CG1-CG1 3.79Å; V237-L271 HydrophobicContact CG1-CD1 4.18Å; V237-L271 HydrophobicContact CG1-CD2 3.95Å; V237-L271 HydrophobicContact CG1-CG 4.04Å
238A98.2Very high97.6Very high57 Ų5747.1 Ų47.147%0.47126%0.257SS..Hα-helixtrans-66.5-42.3172.500000111.7R234 Q235 A236 I240 G241R234-A238 WeakPolarHBondContact O-CB 3.03Å; R234-A238 PolarHBondContact O-N 3.24Å; Q235-A238 PolarHBondContact O-N 3.3Å; A236-A238 VanDerWaalsContact C-N 3.29Å; A236-A238 PolarHBondContact O-N 2.91Å; A238-I240 VanDerWaalsContact C-N 3.29Å; A238-I240 PolarHBondContact O-N 3.16Å; A238-G241 PolarHBondContact O-N 3.16Å; A238-G241 VanDerWaalsContact O-N 3.14Å
239E98.4Very high97.6Very high142 Ų14245.3 Ų45.366%0.66425%0.251SS*.Hα-helixtrans-63.2-33.5174.9-71.4170.9-173.200112.5Q235 A236 G241Q235-E239 WeakPolarHBondContact CG-OE1 3.11Å; Q235-E239 PolarHBondContact NE2-OE1 2.9Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.79Å; A236-E239 PolarHBondContact O-N 2.97Å; E239-G241 VanDerWaalsContact C-N 3.32Å
240I98.5Very high97.5Very high29 Ų2944.4 Ų44.415%0.14924%0.24CC..Hα-helixtrans-69.6-32174.8-67.5165.6000111.3A236 V237 A238 T263 R266 V267 W270A236-I240 VanDerWaalsContact O-CG1 3.28Å; A236-I240 WeakPolarHBondContact O-CG1 3.38Å; A236-I240 PolarHBondContact O-N 3.14Å; V237-I240 PolarHBondContact O-N 2.99Å; A238-I240 VanDerWaalsContact C-N 3.29Å; A238-I240 PolarHBondContact O-N 3.16Å; I240-T263 HydrophobicContact CG2-CG2 4.45Å; I240-R266 HydrophobicContact CG2-CB 3.69Å; I240-R266 PolarHBondContact O-NH1 2.93Å; I240-R266 PolarHBondContact O-NH2 3.41Å; I240-V267 HydrophobicContact CB-CG2 4.04Å; I240-V267 HydrophobicContact CG2-CG2 3.58Å; I240-W270 HydrophobicContact CD1-CB 3.54Å; I240-W270 HydrophobicContact CD1-CD2 4.44Å; I240-W270 HydrophobicContact CD1-CG 3.68Å
241G98.3Very high97.4Very high32 Ų3244.3 Ų44.333%0.3324%0.239SC..THydrogen-bonded Turntrans125.715175.600000115.4V237 A238 E239 V243V237-G241 PolarHBondContact O-N 2.85Å; V237-G241 VanDerWaalsContact O-N 3.15Å; A238-G241 PolarHBondContact O-N 3.16Å; A238-G241 VanDerWaalsContact O-N 3.14Å; E239-G241 VanDerWaalsContact C-N 3.32Å; G241-V243 PolarHBondContact O-N 3.22Å
242A98.4Very high97.5Very high12 Ų1236.7 Ų36.710%0.09921%0.211CC..  trans-59.9132.4170.400000110.2V237 A244 A256 L257 V267V237-A242 HydrophobicContact CB-CB 4.16Å; V237-A242 HydrophobicContact CG2-CB 4.29Å; V237-A242 VanDerWaalsContact O-CB 3.27Å; V237-A242 WeakPolarHBondContact O-CB 3.39Å; V237-A242 PolarHBondContact O-N 3Å; A242-A244 VanDerWaalsContact C-N 3.34Å; A242-A256 HydrophobicContact CB-CB 4.19Å; A242-L257 CarbonylContact C-O 3.57Å; A242-L257 WeakPolarHBondContact CA-O 3.43Å; A242-V267 HydrophobicContact CB-CG2 4.35Å
243V97.8Very high97.5Very high55 Ų5530.6 Ų30.633%0.33318%0.182SC..SBendtrans-77.3-23.3-177.1-63.10000112.6A211 G241 L257 D259A211-V243 HydrophobicContact CB-CB 4.04Å; A211-V243 HydrophobicContact CB-CG2 3.93Å; G241-V243 PolarHBondContact O-N 3.22Å; V243-L257 HydrophobicContact CG2-CB 4.04Å; V243-L257 HydrophobicContact CG2-CD2 3.85Å; V243-L257 HydrophobicContact CG2-CG 3.74Å; V243-L257 WeakPolarHBondContact CG2-O 3.41Å; V243-L257 PolarHBondContact N-O 3.47Å; V243-D259 HydrophobicContact CG1-CB 4.41Å
244A98Very high97.6Very high13 Ų1330.6 Ų30.611%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-156162.9170.600000110A211 M214 A242 L257A211-A244 HydrophobicContact CB-CB 4.48Å; M214-A244 HydrophobicContact CB-CB 4.11Å; M214-A244 HydrophobicContact SD-CB 3.93Å; A242-A244 VanDerWaalsContact C-N 3.34Å; A244-L257 HydrophobicContact CB-CB 4.11Å; A244-L257 HydrophobicContact CB-CD2 4.2Å; A244-L257 PolarHBondContact O-N 3.12Å
245S98.4Very high97.6Very high10 Ų1026.8 Ų26.87%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-158154.1171.662.40000109.7R234 F255R234-S245 WeakPolarHBondContact CG-OG 3.48Å; S245-F255 CarbonylContact C-O 3.51Å; S245-F255 WeakPolarHBondContact CA-O 3.41Å; S245-F255 WeakPolarHBondContact CB-O 3.41Å
246G98.1Very high97.7Very high0 Ų021.1 Ų21.10%014%0.141CC..EExtended strand (participates in β ladder)trans-170.9-171.217700000112.9E220 F255E220-G246 WeakPolarHBondContact OE2-CA 3.06Å; G246-F255 VanDerWaalsContact C-CE1 3.43Å; G246-F255 PolarHBondContact N-O 3.11Å; G246-F255 VanDerWaalsContact O-CD1 3.28Å; G246-F255 WeakPolarHBondContact O-CD1 3.35Å; G246-F255 PolarHBondContact O-N 2.88Å
247I98Very high97.7Very high11 Ų1120.6 Ų20.66%0.05614%0.137CC..EExtended strand (participates in β ladder)trans-77.9131.2175.3-53.6173.9000109.3E220 R223 L227 F230 F255E220-I247 HydrophobicContact CB-CD1 4.16Å; E220-I247 HydrophobicContact CG-CD1 3.87Å; E220-I247 HydrophobicContact CG-CG1 4.14Å; R223-I247 HydrophobicContact CB-CD1 3.75Å; L227-I247 HydrophobicContact CD1-CB 4.47Å; L227-I247 HydrophobicContact CD1-CD1 3.58Å; L227-I247 HydrophobicContact CD1-CG1 3.66Å; L227-I247 HydrophobicContact CD1-CG2 4Å; F230-I247 HydrophobicContact CD2-CG1 4.27Å; F230-I247 HydrophobicContact CE1-CG1 4.03Å; F230-I247 HydrophobicContact CE2-CB 4.42Å; F230-I247 HydrophobicContact CE2-CG1 3.52Å; F230-I247 HydrophobicContact CZ-CB 4.49Å; F230-I247 HydrophobicContact CZ-CD1 4.32Å; F230-I247 HydrophobicContact CZ-CG1 3.39Å; I247-F255 WeakPolarHBondContact O-CE1 3.14Å
248S97.7Very high97.7Very high23 Ų2320.6 Ų20.616%0.16114%0.137CC..  trans-79.3117.2166.2-172.90000109.3G83 S250 G251 T253G83-S248 WeakPolarHBondContact CA-O 3.47Å; G83-S248 CarbonylContact O-C 3.55Å; G83-S248 VanDerWaalsContact O-C 3.26Å; G83-S248 WeakPolarHBondContact O-CB 3.16Å; G83-S248 VanDerWaalsContact O-O 3.09Å; G83-S248 PolarHBondContact O-OG 2.84Å; S248-S250 PolarHBondContact O-N 3.14Å; S248-G251 WeakPolarHBondContact O-CA 3.36Å; S248-G251 PolarHBondContact O-N 3.31Å; S248-T253 WeakPolarHBondContact CB-O 3.48Å; S248-T253 PolarHBondContact N-O 3.1Å
249G94.6Very high97.6Very high32 Ų3221.1 Ų21.133%0.3313%0.132SC..THydrogen-bonded Turntrans55.6-124-177.500000113.2R223 G251R223-G249 PolarHBondContact NH1-O 2.76Å; R223-G249 VanDerWaalsContact NH1-O 3.1Å; G249-G251 VanDerWaalsContact C-N 3.3Å
250S93.6Very high97.6Very high12 Ų1220.2 Ų20.28%0.08413%0.126CC..THydrogen-bonded Turntrans-80.4-5.5173.653.60000114.7S248S248-S250 PolarHBondContact O-N 3.14Å
251G94.9Very high97.5Very high0 Ų023.3 Ų23.30%015%0.147CC..SBendtrans77.9178.6-165.300000111.9S82 G83 S248 G249S82-G251 CarbonylContact C-O 3.5Å; S82-G251 CarbonylContact O-C 3.58Å; G83-G251 WeakPolarHBondContact CA-O 3.21Å; G83-G251 PolarHBondContact N-O 3.21Å; S248-G251 WeakPolarHBondContact O-CA 3.36Å; S248-G251 PolarHBondContact O-N 3.31Å; G249-G251 VanDerWaalsContact C-N 3.3Å
252P97Very high97.5Very high0 Ų028 Ų280%017%0.165CC..SBendcis-8957.634.8-35.1000115G81 S82 P166 I168 V170 L227 L254 Y275G81-P252 WeakPolarHBondContact O-CD 3.36Å; S82-P252 WeakPolarHBondContact O-CD 3.18Å; P166-P252 WeakPolarHBondContact CD-O 3.41Å; P166-P252 HydrophobicContact CG-CB 3.72Å; P166-P252 HydrophobicContact CG-CG 3.88Å; P166-P252 WeakPolarHBondContact CG-O 3.48Å; I168-P252 HydrophobicContact CD1-CB 4.35Å; I168-P252 HydrophobicContact CG1-CB 4.1Å; I168-P252 HydrophobicContact CG1-CG 3.86Å; I168-P252 WeakPolarHBondContact O-CG 3.46Å; V170-P252 HydrophobicContact CG2-CB 4.13Å; V170-P252 HydrophobicContact CG2-CG 4.25Å; L227-P252 HydrophobicContact CD2-CB 3.61Å; P252-L254 PolarHBondContact O-N 2.99Å; P252-Y275 PolarHBondContact O-OH 2.87Å
253T98.5Very high97.6Very high0 Ų028 Ų280%016%0.164CC..  trans-61.5132.9173.5-64.80000111.4S82 L84 L163 A164 S248S82-T253 WeakPolarHBondContact O-CB 3.33Å; S82-T253 PolarHBondContact O-N 2.92Å; S82-T253 PolarHBondContact O-OG1 3.37Å; L84-T253 HydrophobicContact CD2-CG2 3.83Å; L84-T253 HydrophobicContact CG-CG2 4.04Å; L163-T253 HydrophobicContact CB-CG2 4.47Å; A164-T253 WeakPolarHBondContact O-CA 3.43Å; S248-T253 WeakPolarHBondContact CB-O 3.48Å; S248-T253 PolarHBondContact N-O 3.1Å
254L98.4Very high97.6Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-95.5140.3169.6177.4151000109.2L163 A164 F230 A233 P252 A256 L271 Y275L163-L254 WeakPolarHBondContact CA-O 3.49Å; A164-L254 PolarHBondContact N-O 3.28Å; A164-L254 PolarHBondContact O-N 3.23Å; F230-L254 HydrophobicContact CD2-CB 4.46Å; F230-L254 HydrophobicContact CD2-CD1 3.9Å; F230-L254 HydrophobicContact CE2-CB 4.37Å; F230-L254 HydrophobicContact CE2-CD1 3.86Å; F230-L254 HydrophobicContact CE2-CG 4.18Å; A233-L254 HydrophobicContact CB-CD1 3.84Å; P252-L254 PolarHBondContact O-N 2.99Å; L254-A256 HydrophobicContact CD2-CB 4.17Å; L254-L271 HydrophobicContact CD2-CD1 3.95Å; L254-L271 HydrophobicContact CD2-CD2 4.03Å; L254-Y275 HydrophobicContact CB-CD1 4.38Å; L254-Y275 HydrophobicContact CB-CE1 3.62Å
255F98.6Very high97.6Very high4 Ų429.3 Ų29.32%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-109.4143162.376.9-93.5000110.1W161 V162 L163 M214 S245 G246 I247W161-F255 AromaticContact CE3-CD2 3.87Å; W161-F255 HydrophobicContact CE3-CD2 3.87Å; W161-F255 HydrophobicContact CE3-CE2 4.46Å; W161-F255 HydrophobicContact CE3-CG 4.43Å; W161-F255 AromaticContact CZ3-CD2 3.72Å; W161-F255 HydrophobicContact CZ3-CD2 3.72Å; W161-F255 AromaticContact CZ3-CE2 3.85Å; W161-F255 HydrophobicContact CZ3-CE2 3.85Å; W161-F255 HydrophobicContact CZ3-CG 4.49Å; V162-F255 CarbonylContact O-C 3.52Å; V162-F255 VanDerWaalsContact O-CA 3.29Å; V162-F255 WeakPolarHBondContact O-CA 3.28Å; L163-F255 HydrophobicContact CD2-CB 3.67Å; M214-F255 HydrophobicContact CE-CE2 3.51Å; M214-F255 HydrophobicContact CE-CZ 3.77Å; S245-F255 CarbonylContact C-O 3.51Å; S245-F255 WeakPolarHBondContact CA-O 3.41Å; S245-F255 WeakPolarHBondContact CB-O 3.41Å; G246-F255 VanDerWaalsContact C-CE1 3.43Å; G246-F255 PolarHBondContact N-O 3.11Å; G246-F255 VanDerWaalsContact O-CD1 3.28Å; G246-F255 WeakPolarHBondContact O-CD1 3.35Å; G246-F255 PolarHBondContact O-N 2.88Å; I247-F255 WeakPolarHBondContact O-CE1 3.14Å
256A98.7Very high97.7Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-125.5131.4167.200000109.1V162 V237 A242 L254 V267V162-A256 HydrophobicContact CB-CB 4.36Å; V162-A256 PolarHBondContact N-O 3.17Å; V162-A256 PolarHBondContact O-N 3.31Å; V237-A256 HydrophobicContact CB-CB 4.3Å; V237-A256 HydrophobicContact CG1-CB 4.49Å; V237-A256 HydrophobicContact CG2-CB 4.23Å; A242-A256 HydrophobicContact CB-CB 4.19Å; L254-A256 HydrophobicContact CD2-CB 4.17Å; A256-V267 HydrophobicContact CB-CG1 3.7Å
257L98.5Very high97.7Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-97.4125.8-178.8-172.365.3000109.2W159 L160 W161 A211 M214 A242 V243 A244W159-L257 HydrophobicContact CB-CD1 3.72Å; W159-L257 HydrophobicContact CD2-CD1 3.74Å; W159-L257 HydrophobicContact CD2-CD2 3.63Å; W159-L257 HydrophobicContact CD2-CG 4Å; W159-L257 HydrophobicContact CE3-CD1 3.7Å; W159-L257 HydrophobicContact CE3-CD2 3.56Å; W159-L257 HydrophobicContact CE3-CG 4.17Å; W159-L257 HydrophobicContact CG-CD1 3.78Å; W159-L257 HydrophobicContact CG-CD2 4.33Å; W159-L257 HydrophobicContact CG-CG 4.2Å; W159-L257 HydrophobicContact CH2-CD2 3.7Å; W159-L257 HydrophobicContact CZ2-CD2 3.79Å; W159-L257 HydrophobicContact CZ3-CD1 4.47Å; W159-L257 HydrophobicContact CZ3-CD2 3.6Å; L160-L257 WeakPolarHBondContact O-CA 3.42Å; W161-L257 HydrophobicContact CD2-CD1 3.71Å; W161-L257 HydrophobicContact CE3-CD1 3.89Å; W161-L257 HydrophobicContact CG-CD1 4.33Å; W161-L257 HydrophobicContact CH2-CD1 3.73Å; W161-L257 HydrophobicContact CH2-CD2 4.32Å; W161-L257 HydrophobicContact CZ2-CD1 3.61Å; W161-L257 HydrophobicContact CZ3-CD1 3.9Å; A211-L257 HydrophobicContact CB-CD2 4.49Å; M214-L257 HydrophobicContact CE-CD2 4.34Å; M214-L257 HydrophobicContact SD-CD2 3.61Å; A242-L257 CarbonylContact C-O 3.57Å; A242-L257 WeakPolarHBondContact CA-O 3.43Å; V243-L257 HydrophobicContact CG2-CB 4.04Å; V243-L257 HydrophobicContact CG2-CD2 3.85Å; V243-L257 HydrophobicContact CG2-CG 3.74Å; V243-L257 WeakPolarHBondContact CG2-O 3.41Å; V243-L257 PolarHBondContact N-O 3.47Å; A244-L257 HydrophobicContact CB-CB 4.11Å; A244-L257 HydrophobicContact CB-CD2 4.2Å; A244-L257 PolarHBondContact O-N 3.12Å
258C98.6Very high97.7Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-126.5142.7179.5-60.70000109.6L160 T263 A264L160-C258 PolarHBondContact N-O 3.22Å; L160-C258 PolarHBondContact O-N 2.77Å; C258-T263 HydrophobicContact CB-CG2 4.34Å; C258-A264 HydrophobicContact CB-CB 3.84Å
259D97.1Very high97.8Very high68 Ų6838.1 Ų38.136%0.36420%0.201SC..SBendtrans-100.92.1176.863.7-12.5000112.8V243V243-D259 HydrophobicContact CG1-CB 4.41Å
260K97.6Very high98Very high123 Ų12340 Ų4054%0.53520%0.198SC..SBendtrans-137.5132-178.6-66.4174.3-169175.10110.7D262 T263 A264K260-D262 PolarHBondContact O-N 2.93Å; K260-T263 PolarHBondContact O-N 3.43Å; K260-T263 VanDerWaalsContact O-N 3.15Å; K260-A264 PolarHBondContact O-N 3.33Å
261P97.8Very high98.2Very high94 Ų9439.4 Ų39.461%0.6119%0.194SC*.Hα-helixtrans-53.9-45.4176.3-2835.2000114L160 T263 A264 Q265L160-P261 HydrophobicContact CD1-CB 4.24Å; L160-P261 HydrophobicContact CD1-CG 4.15Å; P261-T263 VanDerWaalsContact C-N 3.29Å; P261-T263 PolarHBondContact O-N 3.09Å; P261-A264 WeakPolarHBondContact O-CB 3.36Å; P261-A264 PolarHBondContact O-N 3.44Å; P261-A264 VanDerWaalsContact O-N 3.11Å; P261-Q265 PolarHBondContact O-N 2.86Å
262D98.2Very high98.4Very high130 Ų13041 Ų4170%0.69521%0.21SC*.Hα-helixtrans-63.1-35.3179.8-66.2-12.8000112.7K260 R266K260-D262 PolarHBondContact O-N 2.93Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 2.86Å; D262-R266 VanDerWaalsContact O-N 3.15Å
263T98.6Very high98.4Very high12 Ų1249.3 Ų49.37%0.07425%0.247CC..Hα-helixtrans-69.7-43.8173.9-61.50000110.5I240 C258 K260 P261 Q265 R266 V267I240-T263 HydrophobicContact CG2-CG2 4.45Å; C258-T263 HydrophobicContact CB-CG2 4.34Å; K260-T263 PolarHBondContact O-N 3.43Å; K260-T263 VanDerWaalsContact O-N 3.15Å; P261-T263 VanDerWaalsContact C-N 3.29Å; P261-T263 PolarHBondContact O-N 3.09Å; T263-Q265 VanDerWaalsContact C-N 3.3Å; T263-Q265 PolarHBondContact O-N 3.31Å; T263-R266 PolarHBondContact O-N 3.42Å; T263-R266 PolarHBondContact OG1-NH2 2.89Å; T263-V267 HydrophobicContact CG2-CG2 4.32Å; T263-V267 WeakPolarHBondContact O-CB 3.48Å; T263-V267 VanDerWaalsContact O-CG2 3.31Å; T263-V267 WeakPolarHBondContact O-CG2 3.49Å; T263-V267 PolarHBondContact O-N 3.33Å
264A98.8Very high98.4Very high0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-58.2-42.5176.900000111.7L160 V162 C258 K260 P261 V267 A268 I285L160-A264 HydrophobicContact CB-CB 4.04Å; L160-A264 HydrophobicContact CD1-CB 3.72Å; V162-A264 HydrophobicContact CG2-CB 3.92Å; C258-A264 HydrophobicContact CB-CB 3.84Å; K260-A264 PolarHBondContact O-N 3.33Å; P261-A264 WeakPolarHBondContact O-CB 3.36Å; P261-A264 PolarHBondContact O-N 3.44Å; P261-A264 VanDerWaalsContact O-N 3.11Å; A264-V267 PolarHBondContact O-N 3.46Å; A264-A268 WeakPolarHBondContact O-CB 3.29Å; A264-A268 PolarHBondContact O-N 3.34Å; A264-I285 HydrophobicContact CB-CD1 4.24Å; A264-I285 HydrophobicContact CB-CG2 4.08Å
265Q98.7Very high98.4Very high96 Ų9653.4 Ų53.445%0.44927%0.268SS..Hα-helixtrans-63.7-49.3176.4-170.661.553.700112P261 T263 V267 A268 D269P261-Q265 PolarHBondContact O-N 2.86Å; T263-Q265 VanDerWaalsContact C-N 3.3Å; T263-Q265 PolarHBondContact O-N 3.31Å; Q265-V267 VanDerWaalsContact C-N 3.27Å; Q265-V267 PolarHBondContact O-N 3.41Å; Q265-A268 WeakPolarHBondContact O-CB 3.32Å; Q265-A268 PolarHBondContact O-N 3.14Å; Q265-A268 VanDerWaalsContact O-N 3.11Å; Q265-D269 PolarHBondContact NE2-OD1 3.15Å; Q265-D269 PolarHBondContact O-N 3.49Å
266R98.8Very high98.3Very high123 Ų12355.6 Ų55.646%0.46428%0.28SS..Hα-helixtrans-60.2-37.8177.6-71.3-174.8-59.9126.96112.5I240 D262 T263 W270I240-R266 HydrophobicContact CG2-CB 3.69Å; I240-R266 PolarHBondContact O-NH1 2.93Å; I240-R266 PolarHBondContact O-NH2 3.41Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 2.86Å; D262-R266 VanDerWaalsContact O-N 3.15Å; T263-R266 PolarHBondContact O-N 3.42Å; T263-R266 PolarHBondContact OG1-NH2 2.89Å; R266-W270 WeakPolarHBondContact O-CB 3.46Å; R266-W270 PolarHBondContact O-N 2.82Å; R266-W270 VanDerWaalsContact O-N 3.09Å
267V98.8Very high98.2Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-65.3-45.6174.3167.80000110.7V162 V237 I240 A242 A256 T263 A264 Q265 W270 L271V162-V267 HydrophobicContact CB-CG1 4.03Å; V162-V267 HydrophobicContact CG1-CG1 4.06Å; V162-V267 HydrophobicContact CG2-CB 4.37Å; V162-V267 HydrophobicContact CG2-CG1 4.07Å; V237-V267 HydrophobicContact CB-CG1 4.16Å; V237-V267 HydrophobicContact CB-CG2 4.33Å; V237-V267 HydrophobicContact CG1-CG1 3.79Å; I240-V267 HydrophobicContact CB-CG2 4.04Å; I240-V267 HydrophobicContact CG2-CG2 3.58Å; A242-V267 HydrophobicContact CB-CG2 4.35Å; A256-V267 HydrophobicContact CB-CG1 3.7Å; T263-V267 HydrophobicContact CG2-CG2 4.32Å; T263-V267 WeakPolarHBondContact O-CB 3.48Å; T263-V267 VanDerWaalsContact O-CG2 3.31Å; T263-V267 WeakPolarHBondContact O-CG2 3.49Å; T263-V267 PolarHBondContact O-N 3.33Å; A264-V267 PolarHBondContact O-N 3.46Å; Q265-V267 VanDerWaalsContact C-N 3.27Å; Q265-V267 PolarHBondContact O-N 3.41Å; V267-W270 PolarHBondContact O-N 2.78Å; V267-L271 HydrophobicContact CG1-CD1 3.67Å; V267-L271 HydrophobicContact CG1-CG 4.36Å; V267-L271 WeakPolarHBondContact O-CB 3.43Å; V267-L271 VanDerWaalsContact O-CG 3.32Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.92Å
268A98.8Very high98.1Very high10 Ų1063.4 Ų63.48%0.08332%0.318CS..Hα-helixtrans-61.1-46178.700000112V162 A264 Q265 W270 L271 G272 V283 I285V162-A268 HydrophobicContact CG1-CB 3.82Å; A264-A268 WeakPolarHBondContact O-CB 3.29Å; A264-A268 PolarHBondContact O-N 3.34Å; Q265-A268 WeakPolarHBondContact O-CB 3.32Å; Q265-A268 PolarHBondContact O-N 3.14Å; Q265-A268 VanDerWaalsContact O-N 3.11Å; A268-W270 VanDerWaalsContact C-N 3.34Å; A268-W270 PolarHBondContact O-N 3.29Å; A268-L271 PolarHBondContact O-N 3.48Å; A268-G272 PolarHBondContact O-N 3.5Å; A268-V283 HydrophobicContact CB-CG1 3.81Å; A268-I285 HydrophobicContact CB-CD1 4.01Å; A268-I285 HydrophobicContact CB-CG1 3.91Å
269D98.7Very high98Very high96 Ų9672.1 Ų72.151%0.51336%0.359SS..Hα-helixtrans-60.5-44177.2-64-17.5000111.4Q265 G272 K273Q265-D269 PolarHBondContact NE2-OD1 3.15Å; Q265-D269 PolarHBondContact O-N 3.49Å; D269-G272 PolarHBondContact O-N 3.01Å; D269-K273 PolarHBondContact O-N 3.47Å; D269-K273 VanDerWaalsContact O-N 3.12Å
270W98.7Very high97.9Very high71 Ų7172.3 Ų72.327%0.26936%0.358SS..Hα-helixtrans-65-45.4178.6-171.198.7000111.6A233 A236 I240 R266 V267 A268 K273 N274A233-W270 HydrophobicContact CB-CH2 4.19Å; A233-W270 HydrophobicContact CB-CZ3 3.78Å; A236-W270 HydrophobicContact CB-CD2 3.92Å; A236-W270 VanDerWaalsContact CB-CE2 3.4Å; A236-W270 HydrophobicContact CB-CE3 4.15Å; A236-W270 HydrophobicContact CB-CH2 3.53Å; A236-W270 HydrophobicContact CB-CZ2 3.2Å; A236-W270 HydrophobicContact CB-CZ3 3.98Å; I240-W270 HydrophobicContact CD1-CB 3.54Å; I240-W270 HydrophobicContact CD1-CD2 4.44Å; I240-W270 HydrophobicContact CD1-CG 3.68Å; R266-W270 WeakPolarHBondContact O-CB 3.46Å; R266-W270 PolarHBondContact O-N 2.82Å; R266-W270 VanDerWaalsContact O-N 3.09Å; V267-W270 PolarHBondContact O-N 2.78Å; A268-W270 VanDerWaalsContact C-N 3.34Å; A268-W270 PolarHBondContact O-N 3.29Å; W270-K273 PolarHBondContact O-N 2.97Å; W270-N274 HydrophobicContact CD2-CB 4.1Å; W270-N274 HydrophobicContact CE3-CB 4.1Å; W270-N274 HydrophobicContact CH2-CB 3.67Å; W270-N274 HydrophobicContact CZ2-CB 3.69Å; W270-N274 HydrophobicContact CZ3-CB 3.89Å; W270-N274 PolarHBondContact NE1-ND2 3.32Å; W270-N274 WeakPolarHBondContact O-CB 3.36Å; W270-N274 PolarHBondContact O-N 3.24Å; W270-N274 PolarHBondContact O-ND2 2.86Å
271L98.7Very high97.8Very high0 Ų067 Ų670%034%0.338CS..Hα-helixtrans-64.4-40.8178.2-71.8168.2000111.4V162 A164 A233 V237 L254 V267 A268 K273 N274 Y275 L276 V283V162-L271 HydrophobicContact CG1-CD1 3.96Å; A164-L271 HydrophobicContact CB-CB 3.86Å; A164-L271 HydrophobicContact CB-CD1 3.83Å; A164-L271 HydrophobicContact CB-CD2 4.27Å; A164-L271 HydrophobicContact CB-CG 4.2Å; A233-L271 HydrophobicContact CB-CD2 4.21Å; V237-L271 HydrophobicContact CG1-CD1 4.18Å; V237-L271 HydrophobicContact CG1-CD2 3.95Å; V237-L271 HydrophobicContact CG1-CG 4.04Å; L254-L271 HydrophobicContact CD2-CD1 3.95Å; L254-L271 HydrophobicContact CD2-CD2 4.03Å; V267-L271 HydrophobicContact CG1-CD1 3.67Å; V267-L271 HydrophobicContact CG1-CG 4.36Å; V267-L271 WeakPolarHBondContact O-CB 3.43Å; V267-L271 VanDerWaalsContact O-CG 3.32Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.92Å; A268-L271 PolarHBondContact O-N 3.48Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.86Å; L271-N274 PolarHBondContact O-N 3.2Å; L271-Y275 HydrophobicContact CD2-CD1 4.28Å; L271-Y275 HydrophobicContact CD2-CG 4.05Å; L271-Y275 WeakPolarHBondContact O-CA 3.23Å; L271-Y275 VanDerWaalsContact O-CB 3.29Å; L271-Y275 WeakPolarHBondContact O-CB 3.46Å; L271-Y275 PolarHBondContact O-N 3.36Å; L271-L276 PolarHBondContact O-N 3.32Å; L271-V283 HydrophobicContact CB-CG2 4.15Å
272G98.3Very high97.8Very high33 Ų3363.8 Ų63.834%0.3431%0.314SS..Hα-helixtrans-59.9-36.5176.300000112.6A268 D269 L276A268-G272 PolarHBondContact O-N 3.5Å; D269-G272 PolarHBondContact O-N 3.01Å; G272-L276 WeakPolarHBondContact O-CD1 3.46Å
273K97.9Very high97.9Very high176 Ų17659.3 Ų59.377%0.76529%0.292SS*.Hα-helixtrans-84.1-33.7179.6-176.3176.3178.5-179.50114.4D269 W270 L271D269-K273 PolarHBondContact O-N 3.47Å; D269-K273 VanDerWaalsContact O-N 3.12Å; W270-K273 PolarHBondContact O-N 2.97Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.86Å
274N98.2Very high97.9Very high82 Ų8260.8 Ų60.844%0.43930%0.298SS..Hα-helixtrans-120.4-17.1-165-57.8-82.2000115W270 L271W270-N274 HydrophobicContact CD2-CB 4.1Å; W270-N274 HydrophobicContact CE3-CB 4.1Å; W270-N274 HydrophobicContact CH2-CB 3.67Å; W270-N274 HydrophobicContact CZ2-CB 3.69Å; W270-N274 HydrophobicContact CZ3-CB 3.89Å; W270-N274 PolarHBondContact NE1-ND2 3.32Å; W270-N274 WeakPolarHBondContact O-CB 3.36Å; W270-N274 PolarHBondContact O-N 3.24Å; W270-N274 PolarHBondContact O-ND2 2.86Å; L271-N274 PolarHBondContact O-N 3.2Å
275Y98.1Very high97.9Very high3 Ų362 Ų621%0.01230%0.304CS..THydrogen-bonded Turntrans-102.6-34.1-176.9-169-120.6000113.3A164 P166 A233 P252 L254 L271 Q277A164-Y275 HydrophobicContact CB-CD1 3.76Å; A164-Y275 HydrophobicContact CB-CE1 4.31Å; A164-Y275 WeakPolarHBondContact O-CE1 3.23Å; P166-Y275 HydrophobicContact CB-CD1 4.2Å; P166-Y275 HydrophobicContact CB-CE1 3.98Å; P166-Y275 HydrophobicContact CG-CE1 4.02Å; A233-Y275 HydrophobicContact CB-CD2 3.63Å; A233-Y275 HydrophobicContact CB-CE2 4.04Å; A233-Y275 HydrophobicContact CB-CG 4.31Å; P252-Y275 PolarHBondContact O-OH 2.87Å; L254-Y275 HydrophobicContact CB-CD1 4.38Å; L254-Y275 HydrophobicContact CB-CE1 3.62Å; L271-Y275 HydrophobicContact CD2-CD1 4.28Å; L271-Y275 HydrophobicContact CD2-CG 4.05Å; L271-Y275 WeakPolarHBondContact O-CA 3.23Å; L271-Y275 VanDerWaalsContact O-CB 3.29Å; L271-Y275 WeakPolarHBondContact O-CB 3.46Å; L271-Y275 PolarHBondContact O-N 3.36Å; Y275-Q277 PolarHBondContact O-N 3.02Å; Y275-Q277 PolarHBondContact O-NE2 3.13Å
276L98Very high97.9Very high50 Ų5057.5 Ų57.526%0.26228%0.283SS..  trans-61.2134.5178.2-52.9-171000111.1Y165 L271 G272 V283Y165-L276 VanDerWaalsContact O-CD2 3.23Å; Y165-L276 WeakPolarHBondContact O-CD2 3.42Å; L271-L276 PolarHBondContact O-N 3.32Å; G272-L276 WeakPolarHBondContact O-CD1 3.46Å; L276-V283 HydrophobicContact CD2-CG2 4.06Å
277Q96.4Very high97.8Very high98 Ų9858.5 Ų58.546%0.45829%0.287SS..  trans-100.4-21.3-178.4-58.6-63-59.700112.3P166 I168 Y275P166-Q277 HydrophobicContact CB-CG 4.06Å; P166-Q277 WeakPolarHBondContact O-CB 3.19Å; P166-Q277 PolarHBondContact O-N 2.96Å; I168-Q277 HydrophobicContact CG2-CB 4.12Å; I168-Q277 HydrophobicContact CG2-CG 4.42Å; Y275-Q277 PolarHBondContact O-N 3.02Å; Y275-Q277 PolarHBondContact O-NE2 3.13Å
278N96.3Very high97.8Very high66 Ų6659.9 Ų59.935%0.35329%0.294SS..SBendtrans-159.9-179.217863.149.3000111.3G167 E280 G281G167-N278 WeakPolarHBondContact CA-OD1 3.41Å; G167-N278 PolarHBondContact O-ND2 3.25Å; G167-N278 PolarHBondContact O-OD1 2.83Å; N278-E280 PolarHBondContact O-N 3.04Å; N278-E280 WeakPolarHBondContact OD1-CA 3.46Å; N278-E280 VanDerWaalsContact OD1-CB 3.25Å; N278-E280 WeakPolarHBondContact OD1-CB 3.36Å; N278-E280 PolarHBondContact OD1-N 3.5Å; N278-G281 PolarHBondContact O-N 2.85Å
279Q94.9Very high97.7Very high184 Ų18460.2 Ų60.286%0.8630%0.295SS*.THydrogen-bonded Turntrans-72.3-9.4-177.1-58.9-63-25.200114.4R39 G281R39-Q279 PolarHBondContact NH2-O 3.17Å; Q279-G281 VanDerWaalsContact C-N 3.3Å
280E94.9Very high97.6Very high72 Ų7261.2 Ų61.234%0.33630%0.304SS..THydrogen-bonded Turntrans-77-23172.5-59-174.4177.700111.7R39 N278R39-E280 PolarHBondContact NH2-O 3.32Å; N278-E280 PolarHBondContact O-N 3.04Å; N278-E280 WeakPolarHBondContact OD1-CA 3.46Å; N278-E280 VanDerWaalsContact OD1-CB 3.25Å; N278-E280 WeakPolarHBondContact OD1-CB 3.36Å; N278-E280 PolarHBondContact OD1-N 3.5Å
281G97.1Very high97.5Very high12 Ų1260.5 Ų60.512%0.12431%0.314CS..  trans-66.2154.317900000113.7Y165 N278 Q279Y165-G281 CarbonylContact O-C 3.59Å; Y165-G281 WeakPolarHBondContact O-CA 3.47Å; N278-G281 PolarHBondContact O-N 2.85Å; Q279-G281 VanDerWaalsContact C-N 3.3Å
282F98Very high97.5Very high25 Ų2561 Ų6111%0.1132%0.318CS..EExtended strand (participates in β ladder)trans-151.6161.9177.956.7-104.9000111.3L20 P79 L84 A164 Y165 H284L20-F282 HydrophobicContact CD1-CE2 4.06Å; L20-F282 HydrophobicContact CD1-CZ 4.11Å; P79-F282 HydrophobicContact CG-CE1 3.92Å; P79-F282 HydrophobicContact CG-CZ 4.17Å; L84-F282 HydrophobicContact CD1-CE2 3.84Å; L84-F282 HydrophobicContact CD1-CZ 3.59Å; A164-F282 WeakPolarHBondContact CA-O 3.49Å; Y165-F282 AromaticContact CD1-CD1 3.7Å; Y165-F282 HydrophobicContact CD1-CD1 3.7Å; Y165-F282 AromaticContact CD1-CE1 3.47Å; Y165-F282 HydrophobicContact CD1-CE1 3.47Å; Y165-F282 VanDerWaalsContact CD1-CE1 3.47Å; Y165-F282 HydrophobicContact CD1-CG 4.44Å; Y165-F282 HydrophobicContact CD1-CZ 4.04Å; Y165-F282 HydrophobicContact CE1-CE1 4.29Å; Y165-F282 HydrophobicContact CG-CD1 4.47Å; Y165-F282 HydrophobicContact CG-CE1 4.09Å; Y165-F282 HydrophobicContact CG-CZ 4.19Å; Y165-F282 PolarHBondContact N-O 3.28Å; Y165-F282 PolarHBondContact O-N 2.91Å; F282-H284 AromaticContact CD2-CD2 3.36Å; F282-H284 WeakPolarHBondContact CD2-CD2 3.29Å; F282-H284 AromaticContact CD2-NE2 3.73Å; F282-H284 AromaticContact CE2-CD2 3.72Å
283V98.6Very high97.5Very high36 Ų3660.7 Ų60.722%0.21831%0.313CS..EExtended strand (participates in β ladder)trans-129.2130.1173.8-174.70000109.3V162 L163 A164 A268 L271 L276V162-V283 HydrophobicContact CG1-CG1 3.72Å; L163-V283 CarbonylContact O-C 3.54Å; L163-V283 VanDerWaalsContact O-CA 3.23Å; L163-V283 WeakPolarHBondContact O-CA 3.37Å; A164-V283 HydrophobicContact CB-CG1 4.43Å; A164-V283 HydrophobicContact CB-CG2 3.89Å; A268-V283 HydrophobicContact CB-CG1 3.81Å; L271-V283 HydrophobicContact CB-CG2 4.15Å; L276-V283 HydrophobicContact CD2-CG2 4.06Å
284H98.5Very high97.4Very high43 Ų4357.4 Ų57.420%0.19930%0.296CS..EExtended strand (participates in β ladder)trans-125.8140.9173.5-71.4-72.5000110.6V162 L163 F282V162-H284 CarbonylContact C-O 3.59Å; V162-H284 WeakPolarHBondContact CA-O 3.36Å; L163-H284 PolarHBondContact N-O 3.21Å; L163-H284 PolarHBondContact O-N 2.96Å; F282-H284 AromaticContact CD2-CD2 3.36Å; F282-H284 WeakPolarHBondContact CD2-CD2 3.29Å; F282-H284 AromaticContact CD2-NE2 3.73Å; F282-H284 AromaticContact CE2-CD2 3.72Å
285I98.7Very high97.4Very high27 Ų2758.3 Ų58.314%0.13830%0.304CS..EExtended strand (participates in β ladder)trans-92.1120.3165.3-55.5176.7000106.4P14 V15 L160 V162 A264 A268P14-I285 WeakPolarHBondContact CA-O 2.82Å; V15-I285 HydrophobicContact CG1-CG2 4.34Å; V15-I285 HydrophobicContact CG2-CB 4.06Å; V15-I285 HydrophobicContact CG2-CG2 4.05Å; V15-I285 WeakPolarHBondContact CG2-O 3.19Å; V15-I285 PolarHBondContact N-O 3.17Å; L160-I285 HydrophobicContact CB-CG2 4.14Å; L160-I285 HydrophobicContact CD1-CG2 4.33Å; L160-I285 HydrophobicContact CD2-CG2 4.29Å; V162-I285 HydrophobicContact CG2-CG1 4.31Å; A264-I285 HydrophobicContact CB-CD1 4.24Å; A264-I285 HydrophobicContact CB-CG2 4.08Å; A268-I285 HydrophobicContact CB-CD1 4.01Å; A268-I285 HydrophobicContact CB-CG1 3.91Å
286C98.7Very high97.2Very high0 Ų061.9 Ų61.90%032%0.323CS..EExtended strand (participates in β ladder)trans-120.4164-174.9-59.60000111.5V12 T13 L160 W161 L163V12-C286 HydrophobicContact CB-CB 4Å; T13-C286 CarbonylContact O-C 3.11Å; T13-C286 WeakPolarHBondContact O-CA 3.5Å; T13-C286 WeakPolarHBondContact O-CB 3.34Å; L160-C286 CarbonylContact C-O 3.53Å; L160-C286 WeakPolarHBondContact CA-O 3.28Å; W161-C286 HydrophobicContact CB-CB 4.24Å; W161-C286 PolarHBondContact N-O 3.4Å; W161-C286 WeakPolarHBondContact O-CB 3.23Å; W161-C286 PolarHBondContact O-N 3.01Å; L163-C286 HydrophobicContact CD1-CB 4.32Å
287R97.9Very high96.3Very high144 Ų14469 Ų6954%0.54335%0.354SS..EExtended strand (participates in β ladder)trans-119.2174.9160.658.5-178.9166-178.5-3.7108.7V12 T13 V15 D289V12-R287 CarbonylContact C-O 3.54Å; V12-R287 VanDerWaalsContact CA-O 3.23Å; V12-R287 WeakPolarHBondContact CA-O 3.38Å; T13-R287 HydrophobicContact CG2-CG 3.76Å; T13-R287 PolarHBondContact N-O 3.48Å; T13-R287 PolarHBondContact O-N 3.01Å; V15-R287 HydrophobicContact CG1-CB 4.4Å; V15-R287 HydrophobicContact CG1-CG 4.39Å; R287-D289 PolarHBondContact O-N 2.9Å
288L97.9Very high94.7Very high30 Ų3075.4 Ų75.416%0.15739%0.392CS..EExtended strand (participates in β ladder)trans-62.5132.1170.5-64.7-179.9000110A10 A11 M139 T290A10-L288 HydrophobicContact CB-CD2 3.76Å; A11-L288 CarbonylContact O-C 3.36Å; A11-L288 VanDerWaalsContact O-CA 3.3Å; A11-L288 WeakPolarHBondContact O-CA 3.43Å; M139-L288 HydrophobicContact CE-CD1 4.41Å; L288-T290 PolarHBondContact O-N 3.34Å
289D97.8Very high94.6Very high17 Ų1775.9 Ų75.99%0.09139%0.394CS..  trans-83.4106.6167.6-171.6-42.8000107.6A11 T13 G137 G138 R287 A291 G292 R294A11-D289 HydrophobicContact CB-CB 4.06Å; A11-D289 PolarHBondContact O-N 3.15Å; T13-D289 HydrophobicContact CG2-CB 4.03Å; G137-D289 CarbonylContact C-O 3.45Å; G137-D289 WeakPolarHBondContact CA-O 3.41Å; G138-D289 PolarHBondContact N-O 3.12Å; R287-D289 PolarHBondContact O-N 2.9Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 WeakPolarHBondContact OD1-CA 3.35Å; D289-A291 PolarHBondContact OD1-N 3.45Å; D289-G292 PolarHBondContact OD1-N 3.32Å; D289-R294 IonicContact OD1-NH1 2.75Å; D289-R294 PolarHBondContact OD1-NH1 3.39Å; D289-R294 IonicContact OD2-CZ 3.48Å; D289-R294 IonicContact OD2-NH1 3.3Å; D289-R294 PolarHBondContact OD2-NH1 3.33Å; D289-R294 IonicContact OD2-NH2 3.31Å; D289-R294 PolarHBondContact OD2-NH2 2.88Å
290T96.3Very high94.6Very high116 Ų11670.2 Ų70.271%0.71237%0.369SS*.SBendtrans-81.2-10-17856.20000113.8L288L288-T290 PolarHBondContact O-N 3.34Å
291A96.8Very high94.5Very high57 Ų5770.1 Ų70.147%0.47137%0.371SS..SBendtrans-93.5-33.4-178.800000112D289D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 WeakPolarHBondContact OD1-CA 3.35Å; D289-A291 PolarHBondContact OD1-N 3.45Å
292G97.8Very high94.4Very high9 Ų973.5 Ų73.59%0.09339%0.386CS..  trans71-142.3-172.300000111.4C134 D289 R294C134-G292 CarbonylContact O-C 3.54Å; C134-G292 WeakPolarHBondContact O-CA 3.26Å; D289-G292 PolarHBondContact OD1-N 3.32Å; G292-R294 PolarHBondContact O-NH1 2.68Å
293A98.3Very high94.2Very high27 Ų2776.6 Ų76.622%0.22340%0.403CS..SBendtrans-71.2142-179.600000111V92 M96 C134 F135V92-A293 HydrophobicContact CG1-CB 3.5Å; V92-A293 VanDerWaalsContact CG1-CB 3.5Å; M96-A293 HydrophobicContact SD-CB 3.46Å; M96-A293 WeakPolarHBondContact SD-CB 3.35Å; C134-A293 PolarHBondContact O-N 3.14Å; F135-A293 HydrophobicContact CD2-CB 4.36Å; F135-A293 PolarHBondContact O-N 3.18Å
294R97.2Very high93.9Very high108 Ų10879.3 Ų79.341%0.40842%0.415SS..  trans-150.2149.8-172.553.2-175.6167.9-99.35.9111.2D289 G292 L296D289-R294 IonicContact OD1-NH1 2.75Å; D289-R294 PolarHBondContact OD1-NH1 3.39Å; D289-R294 IonicContact OD2-CZ 3.48Å; D289-R294 IonicContact OD2-NH1 3.3Å; D289-R294 PolarHBondContact OD2-NH1 3.33Å; D289-R294 IonicContact OD2-NH2 3.31Å; D289-R294 PolarHBondContact OD2-NH2 2.88Å; G292-R294 PolarHBondContact O-NH1 2.68Å; R294-L296 HydrophobicContact CG-CD2 4.48Å
295V96.6Very high93.5Very high101 Ų10181.9 Ų81.961%0.61243%0.431SS*.PPolyproline II helixtrans-71.1129.3167.9-178.60000107.8M96 E100M96-V295 HydrophobicContact CE-CG2 4.31Å; E100-V295 HydrophobicContact CG-CG2 4.1Å
296L93.9Very high93.1Very high78 Ų7886.1 Ų86.141%0.40845%0.453SS..PPolyproline II helixtrans-83.4135174.8-57.6-179.5000109V23 R294V23-L296 HydrophobicContact CG1-CD1 4.06Å; V23-L296 HydrophobicContact CG2-CD1 4Å; R294-L296 HydrophobicContact CG-CD2 4.48Å
297E79.8Confident92.7Very high198 Ų19893.3 Ų93.393%0.92549%0.491SS*.PPolyproline II helixtrans-75127.3169.2-64.9-178.7171.900108.3
298N61.6Low92.2Very high234 Ų23488.6 Ų88.6100%1.25149%0.486SS*.  trans-75.70172.8-73-24.7000111.6

Retrieved 298 of 298 residues in 257.2 ms (Link to these results)

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