A0A096MMF1_PAPAN Loading...

Phosphatase, orphan 2

AlphaFold DB (A0A0D9SBD6), UniProt , Accession A0A096MMF1, Species PAPAN (Papio anubis, Olive baboon), Gene PHOSPHO2, Length 241 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
1M84.4Confident97Very high178 Ų17826.2 Ų26.288%0.87713%0.128SC*.  0148.50-63.7179.5-71.900107.2T172M1-T172 HydrophobicContact CB-CG2 3.45Å; M1-T172 VanDerWaalsContact CB-CG2 3.45Å; M1-T172 HydrophobicContact CE-CG2 3.82Å; M1-T172 HydrophobicContact CG-CG2 4.38Å; M1-T172 HydrophobicContact SD-CG2 4.17Å
2K95Very high97.2Very high58 Ų5824 Ų2425%0.25212%0.117SC..EExtended strand (participates in β ladder)trans-106.6160.4-172.2-72-175.4168.4-166.80111.4K89 D90 K91 D93 Y171 T172K2-K89 WeakPolarHBondContact CE-O 3.4Å; K2-K89 PolarHBondContact NZ-O 3.2Å; K2-D90 VanDerWaalsContact CE-O 3.26Å; K2-D90 WeakPolarHBondContact CE-O 3.48Å; K2-D90 WeakPolarHBondContact CG-O 3.38Å; K2-K91 CarbonylContact C-O 3.24Å; K2-K91 VanDerWaalsContact CA-O 3.28Å; K2-K91 WeakPolarHBondContact CA-O 3.16Å; K2-K91 WeakPolarHBondContact CB-O 3.39Å; K2-D93 WeakPolarHBondContact CD-OD1 3.33Å; K2-D93 IonicContact NZ-OD1 2.7Å; K2-D93 PolarHBondContact NZ-OD1 2.84Å; K2-Y171 HydrophobicContact CB-CD1 4.23Å; K2-Y171 HydrophobicContact CB-CE1 4.41Å; K2-Y171 CarbonylContact O-C 3.6Å; K2-Y171 VanDerWaalsContact O-CA 3.24Å; K2-Y171 WeakPolarHBondContact O-CA 3.44Å; K2-T172 PolarHBondContact O-N 3.07Å; K2-T172 PolarHBondContact O-OG1 3.47Å
3I98.1Very high97.3Very high9 Ų922.2 Ų22.25%0.04611%0.108CC..EExtended strand (participates in β ladder)trans-93.3134.8166.5-62167.7000107.8L5 K91 F92 D93 Q173 V175 L238 I239I3-L5 HydrophobicContact CG2-CD2 3.93Å; I3-K91 PolarHBondContact N-O 3.24Å; I3-F92 HydrophobicContact CB-CD1 3.88Å; I3-F92 HydrophobicContact CB-CE1 4.04Å; I3-F92 HydrophobicContact CD1-CE1 3.98Å; I3-F92 HydrophobicContact CG2-CD1 4.32Å; I3-F92 HydrophobicContact CG2-CE1 4.37Å; I3-F92 WeakPolarHBondContact O-CA 3.49Å; I3-D93 PolarHBondContact O-N 2.92Å; I3-Q173 WeakPolarHBondContact CA-O 3.26Å; I3-Q173 HydrophobicContact CG1-CB 4.29Å; I3-Q173 HydrophobicContact CG2-CB 4.35Å; I3-V175 HydrophobicContact CG2-CG2 3.82Å; I3-L238 HydrophobicContact CD1-CB 3.75Å; I3-L238 HydrophobicContact CD1-CD1 4.32Å; I3-I239 HydrophobicContact CD1-CG2 4.15Å
4L98.7Very high97.4Very high0 Ų020.6 Ų20.60%010%0.1CC..EExtended strand (participates in β ladder)trans-90.9120.2172.817760.4000109.9V6 D93 I95 L157 F160 V161 Y171 Q173 I174 V175L4-V6 HydrophobicContact CD2-CG2 3.99Å; L4-V6 HydrophobicContact CG-CG2 3.84Å; L4-D93 HydrophobicContact CD1-CB 4.31Å; L4-I95 HydrophobicContact CD1-CD1 4.37Å; L4-I95 HydrophobicContact CD1-CG1 4.17Å; L4-I95 HydrophobicContact CD1-CG2 4.26Å; L4-L157 HydrophobicContact CD2-CD1 4.08Å; L4-F160 HydrophobicContact CD1-CD1 4.49Å; L4-F160 HydrophobicContact CD1-CE1 3.62Å; L4-F160 HydrophobicContact CD1-CZ 4.35Å; L4-F160 HydrophobicContact CD2-CD1 3.89Å; L4-F160 HydrophobicContact CD2-CE1 3.73Å; L4-F160 HydrophobicContact CG-CE1 4.34Å; L4-V161 HydrophobicContact CD2-CG2 3.93Å; L4-Y171 HydrophobicContact CB-CD1 3.76Å; L4-Y171 HydrophobicContact CB-CD2 3.94Å; L4-Y171 HydrophobicContact CB-CE1 3.99Å; L4-Y171 HydrophobicContact CB-CE2 4.13Å; L4-Y171 HydrophobicContact CB-CG 3.74Å; L4-Y171 HydrophobicContact CD1-CE1 4.42Å; L4-Y171 HydrophobicContact CD1-CE2 4.4Å; L4-Y171 HydrophobicContact CD2-CD2 4.07Å; L4-Y171 HydrophobicContact CD2-CE2 3.9Å; L4-Y171 HydrophobicContact CG-CE2 4.36Å; L4-Q173 PolarHBondContact N-O 2.88Å; L4-I174 HydrophobicContact CB-CG1 4.35Å; L4-I174 HydrophobicContact CD2-CG1 4.38Å; L4-I174 WeakPolarHBondContact O-CA 3.48Å; L4-V175 PolarHBondContact O-N 3.15Å
5L98.9Very high97.5Very high0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-97.2125.7171.1-50.1-178.8000109.4I3 F7 I85 F92 D93 C94 I95 V175 I177 L235I3-L5 HydrophobicContact CG2-CD2 3.93Å; L5-F7 HydrophobicContact CB-CD2 4.31Å; L5-F7 HydrophobicContact CB-CE2 3.69Å; L5-F7 HydrophobicContact CD1-CE2 4.32Å; L5-I85 HydrophobicContact CD1-CD1 3.6Å; L5-I85 HydrophobicContact CD1-CG1 3.76Å; L5-I85 HydrophobicContact CD1-CG2 4.41Å; L5-F92 HydrophobicContact CD1-CB 4.18Å; L5-F92 HydrophobicContact CD1-CD1 3.93Å; L5-F92 HydrophobicContact CD1-CG 4.01Å; L5-F92 HydrophobicContact CD2-CD1 4.09Å; L5-F92 HydrophobicContact CD2-CE1 4.37Å; L5-F92 HydrophobicContact CG-CB 4.45Å; L5-F92 HydrophobicContact CG-CD1 4Å; L5-F92 HydrophobicContact CG-CG 4.43Å; L5-D93 PolarHBondContact N-O 3.14Å; L5-C94 HydrophobicContact CB-CB 4.47Å; L5-C94 CarbonylContact O-C 3.6Å; L5-C94 WeakPolarHBondContact O-CA 3.12Å; L5-I95 PolarHBondContact O-N 3.07Å; L5-V175 HydrophobicContact CD2-CB 3.81Å; L5-V175 HydrophobicContact CD2-CG1 4.45Å; L5-V175 HydrophobicContact CD2-CG2 4.07Å; L5-I177 HydrophobicContact CB-CD1 4.42Å; L5-L235 HydrophobicContact CD1-CD1 3.9Å; L5-L235 HydrophobicContact CD2-CD1 4.27Å; L5-L235 HydrophobicContact CD2-CD2 3.65Å
6V98.9Very high97.5Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-119.1117-179.9-172.10000108.6L4 I95 I97 L157 I174 V175 Y176 I177L4-V6 HydrophobicContact CD2-CG2 3.99Å; L4-V6 HydrophobicContact CG-CG2 3.84Å; V6-I95 HydrophobicContact CB-CG1 4.25Å; V6-I95 HydrophobicContact CG1-CD1 4.19Å; V6-I95 HydrophobicContact CG1-CG1 4.07Å; V6-I95 HydrophobicContact CG2-CD1 4.06Å; V6-I95 HydrophobicContact CG2-CG1 3.99Å; V6-I97 HydrophobicContact CG1-CD1 3.73Å; V6-I97 HydrophobicContact CG1-CG1 3.96Å; V6-L157 HydrophobicContact CG2-CD1 3.75Å; V6-I174 HydrophobicContact CG2-CG2 3.94Å; V6-V175 PolarHBondContact N-O 2.7Å; V6-Y176 HydrophobicContact CB-CD2 3.81Å; V6-Y176 HydrophobicContact CB-CE2 4.25Å; V6-Y176 HydrophobicContact CB-CG 4.47Å; V6-Y176 HydrophobicContact CG1-CD2 3.65Å; V6-Y176 HydrophobicContact CG1-CE2 3.57Å; V6-I177 PolarHBondContact O-N 2.7Å
7F98.9Very high97.5Very high0 Ų025.5 Ų25.50%013%0.129CC..EExtended strand (participates in β ladder)trans-108.8136.1-178.7-71.6-94.4000111.8L5 T12 I13 M78 L81 I85 C94 I95 I96 I97 F118 I177L5-F7 HydrophobicContact CB-CD2 4.31Å; L5-F7 HydrophobicContact CB-CE2 3.69Å; L5-F7 HydrophobicContact CD1-CE2 4.32Å; F7-T12 HydrophobicContact CD1-CG2 4.38Å; F7-I13 HydrophobicContact CB-CD1 3.83Å; F7-I13 HydrophobicContact CB-CG1 4.26Å; F7-I13 HydrophobicContact CD1-CD1 4.47Å; F7-I13 HydrophobicContact CD1-CG1 4.19Å; F7-I13 HydrophobicContact CG-CD1 4.3Å; F7-I13 HydrophobicContact CG-CG1 4.5Å; F7-M78 HydrophobicContact CE1-SD 4.32Å; F7-L81 HydrophobicContact CE1-CD2 3.87Å; F7-L81 HydrophobicContact CZ-CD2 3.91Å; F7-I85 HydrophobicContact CE2-CD1 4.14Å; F7-I85 HydrophobicContact CZ-CD1 4Å; F7-C94 WeakPolarHBondContact CE2-SG 3.46Å; F7-I95 PolarHBondContact N-O 2.92Å; F7-I96 HydrophobicContact CB-CG1 4.37Å; F7-I96 CarbonylContact O-C 3.57Å; F7-I96 WeakPolarHBondContact O-CA 3.3Å; F7-I97 PolarHBondContact O-N 3.29Å; F7-F118 HydrophobicContact CD2-CE1 4.02Å; F7-F118 HydrophobicContact CG-CE1 4.43Å; F7-I177 WeakPolarHBondContact CA-O 3.17Å; F7-I177 HydrophobicContact CD1-CB 3.84Å; F7-I177 HydrophobicContact CD1-CD1 4.19Å; F7-I177 HydrophobicContact CD1-CG1 4.31Å; F7-I177 HydrophobicContact CD1-CG2 4.03Å; F7-I177 HydrophobicContact CD2-CD1 4.23Å; F7-I177 HydrophobicContact CE1-CB 3.99Å; F7-I177 HydrophobicContact CE1-CD1 3.89Å; F7-I177 HydrophobicContact CE1-CG1 4Å; F7-I177 HydrophobicContact CE1-CG2 4.06Å; F7-I177 HydrophobicContact CE2-CD1 3.94Å; F7-I177 HydrophobicContact CG-CB 4.45Å; F7-I177 HydrophobicContact CG-CD1 4.35Å; F7-I177 HydrophobicContact CZ-CD1 3.76Å; F7-I177 HydrophobicContact CZ-CG1 4.31Å
8D98.8Very high97.5Very high3 Ų324.1 Ų24.12%0.01612%0.121CC..  trans-71.7166.4148.8-16517.9000110.5T12 I13 S98 K153 I177D8-T12 HydrophobicContact CB-CG2 4.27Å; D8-T12 WeakPolarHBondContact O-CB 3.37Å; D8-T12 WeakPolarHBondContact O-CG2 3.34Å; D8-I13 WeakPolarHBondContact O-CG1 3.34Å; D8-S98 PolarHBondContact OD1-OG 3.3Å; D8-K153 IonicContact OD1-NZ 3.97Å; D8-K153 PolarHBondContact OD1-NZ 3.03Å; D8-K153 IonicContact OD2-NZ 2.64Å; D8-K153 PolarHBondContact OD2-NZ 3.47Å; D8-K153 VanDerWaalsContact OD2-NZ 3.1Å; D8-I177 PolarHBondContact N-O 2.93Å
9F98.8Very high97.4Very high0 Ų023.3 Ų23.30%012%0.117CC..  trans-106.1-67.3-178-174-108.3000112.8T12 I13 I14 I96 S98 I105 V108F9-T12 PolarHBondContact O-N 2.91Å; F9-I13 HydrophobicContact CD2-CB 3.95Å; F9-I13 HydrophobicContact CD2-CD1 4.06Å; F9-I13 HydrophobicContact CD2-CG2 4.12Å; F9-I13 HydrophobicContact CE2-CB 4.38Å; F9-I13 HydrophobicContact CE2-CG2 4.06Å; F9-I13 PolarHBondContact O-N 3.23Å; F9-I14 HydrophobicContact CD1-CD1 3.93Å; F9-I14 HydrophobicContact CD1-CG1 4.12Å; F9-I14 HydrophobicContact CE1-CD1 3.51Å; F9-I14 HydrophobicContact CE1-CG1 3.94Å; F9-I14 HydrophobicContact CE1-CG2 4.48Å; F9-I14 HydrophobicContact CE2-CG2 4.3Å; F9-I14 HydrophobicContact CZ-CD1 4.11Å; F9-I14 HydrophobicContact CZ-CG1 4.23Å; F9-I14 HydrophobicContact CZ-CG2 3.97Å; F9-I14 WeakPolarHBondContact O-CG1 3.33Å; F9-I14 PolarHBondContact O-N 3.25Å; F9-I96 HydrophobicContact CB-CG2 4.28Å; F9-S98 VanDerWaalsContact CB-OG 3.28Å; F9-S98 WeakPolarHBondContact CB-OG 3.1Å; F9-I105 HydrophobicContact CB-CD1 4.22Å; F9-I105 HydrophobicContact CD1-CD1 4.33Å; F9-I105 HydrophobicContact CD1-CG1 3.79Å; F9-I105 HydrophobicContact CD2-CD1 4.46Å; F9-I105 HydrophobicContact CD2-CG1 4.11Å; F9-I105 HydrophobicContact CD2-CG2 4.33Å; F9-I105 HydrophobicContact CE1-CG1 3.91Å; F9-I105 HydrophobicContact CE2-CB 4.49Å; F9-I105 HydrophobicContact CE2-CG1 4.23Å; F9-I105 HydrophobicContact CE2-CG2 4.23Å; F9-I105 HydrophobicContact CG-CD1 4.09Å; F9-I105 HydrophobicContact CG-CG1 3.89Å; F9-I105 HydrophobicContact CZ-CB 4.49Å; F9-I105 HydrophobicContact CZ-CG1 4.12Å; F9-V108 HydrophobicContact CE2-CB 4.38Å; F9-V108 HydrophobicContact CE2-CG1 4.21Å; F9-V108 HydrophobicContact CZ-CB 3.85Å; F9-V108 HydrophobicContact CZ-CG1 3.97Å; F9-V108 HydrophobicContact CZ-CG2 3.94Å
10D98.6Very high97.3Very high10 Ų1025.3 Ų25.35%0.05313%0.131CC..THydrogen-bonded Turntrans-62.8137.4-179.7-66.6-63.3000110.9T12 I14 S18 S100 D179D10-T12 PolarHBondContact O-N 3Å; D10-I14 WeakPolarHBondContact OD1-CD1 3.5Å; D10-S18 WeakPolarHBondContact OD1-CB 3.22Å; D10-S18 PolarHBondContact OD1-N 2.77Å; D10-S18 PolarHBondContact OD1-OG 3.16Å; D10-S18 PolarHBondContact OD2-OG 3.16Å; D10-S100 VanDerWaalsContact OD2-CB 3.31Å; D10-S100 WeakPolarHBondContact OD2-CB 3.24Å; D10-D179 VanDerWaalsContact O-OD1 3.12Å
11N98.5Very high97.3Very high30 Ų3027.3 Ų27.316%0.1614%0.137CC..THydrogen-bonded Turntrans538.9-173.6-61.4-73.2000115.7I14 D16 D179 R199 Y202N11-I14 CarbonylContact C-O 3.59Å; N11-I14 WeakPolarHBondContact CA-O 3.41Å; N11-I14 PolarHBondContact N-O 3.34Å; N11-I14 VanDerWaalsContact N-O 3.1Å; N11-D16 PolarHBondContact N-O 3.32Å; N11-D179 HydrophobicContact CB-CB 4.29Å; N11-D179 VanDerWaalsContact CB-CG 3.46Å; N11-D179 WeakPolarHBondContact CB-OD2 3.44Å; N11-R199 WeakPolarHBondContact O-CD 3.42Å; N11-R199 PolarHBondContact O-NH1 3.23Å; N11-Y202 HydrophobicContact CB-CD1 4.33Å; N11-Y202 HydrophobicContact CB-CE1 3.66Å; N11-Y202 PolarHBondContact OD1-OH 3.36Å
12T98.8Very high97.9Very high0 Ų018.9 Ų18.90%010%0.095CC..THydrogen-bonded Turntrans-120.4-69.2-179.9-69.10000109.9F7 D8 F9 D10 I14 T75 M78 I177 G178 D179 W225F7-T12 HydrophobicContact CD1-CG2 4.38Å; D8-T12 HydrophobicContact CB-CG2 4.27Å; D8-T12 WeakPolarHBondContact O-CB 3.37Å; D8-T12 WeakPolarHBondContact O-CG2 3.34Å; F9-T12 PolarHBondContact O-N 2.91Å; D10-T12 PolarHBondContact O-N 3Å; T12-I14 PolarHBondContact N-O 3.11Å; T12-T75 VanDerWaalsContact O-CB 3.27Å; T12-T75 WeakPolarHBondContact O-CB 3.5Å; T12-T75 PolarHBondContact O-OG1 3.43Å; T12-M78 WeakPolarHBondContact O-CE 3.49Å; T12-I177 HydrophobicContact CG2-CG2 3.99Å; T12-G178 WeakPolarHBondContact OG1-CA 3.32Å; T12-D179 PolarHBondContact OG1-N 2.76Å; T12-D179 PolarHBondContact OG1-OD1 3.39Å; T12-W225 HydrophobicContact CG2-CH2 4.37Å; T12-W225 HydrophobicContact CG2-CZ2 4.02Å
13I98.8Very high98Very high0 Ų017.7 Ų17.70%09%0.093CC..THydrogen-bonded Turntrans-76-50.6174-70.2176.2000110.3F7 D8 F9 F74 T75 M78 F82 I96 F118F7-I13 HydrophobicContact CB-CD1 3.83Å; F7-I13 HydrophobicContact CB-CG1 4.26Å; F7-I13 HydrophobicContact CD1-CD1 4.47Å; F7-I13 HydrophobicContact CD1-CG1 4.19Å; F7-I13 HydrophobicContact CG-CD1 4.3Å; F7-I13 HydrophobicContact CG-CG1 4.5Å; D8-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 HydrophobicContact CD2-CB 3.95Å; F9-I13 HydrophobicContact CD2-CD1 4.06Å; F9-I13 HydrophobicContact CD2-CG2 4.12Å; F9-I13 HydrophobicContact CE2-CB 4.38Å; F9-I13 HydrophobicContact CE2-CG2 4.06Å; F9-I13 PolarHBondContact O-N 3.23Å; I13-F74 HydrophobicContact CG2-CD1 3.79Å; I13-F74 HydrophobicContact CG2-CE1 3.68Å; I13-F74 WeakPolarHBondContact O-CD1 3.29Å; I13-T75 PolarHBondContact O-N 3.28Å; I13-T75 PolarHBondContact O-OG1 3.16Å; I13-M78 HydrophobicContact CG1-SD 4.42Å; I13-M78 HydrophobicContact CG2-CG 4.32Å; I13-F82 HydrophobicContact CB-CZ 4.31Å; I13-F82 HydrophobicContact CD1-CZ 3.94Å; I13-F82 HydrophobicContact CG1-CZ 3.84Å; I13-F82 HydrophobicContact CG2-CE2 3.91Å; I13-F82 HydrophobicContact CG2-CZ 3.66Å; I13-I96 HydrophobicContact CD1-CD1 3.72Å; I13-I96 HydrophobicContact CD1-CG1 3.91Å; I13-F118 HydrophobicContact CD1-CE1 4.07Å; I13-F118 HydrophobicContact CD1-CZ 3.69Å
14I98.6Very high97.9Very high0 Ų020.5 Ų20.50%011%0.106CC..BIsolated β-bridgetrans-94.9148.1173.451.8163.7000110F9 D10 N11 T12 D16 L72 T75 V108F9-I14 HydrophobicContact CD1-CD1 3.93Å; F9-I14 HydrophobicContact CD1-CG1 4.12Å; F9-I14 HydrophobicContact CE1-CD1 3.51Å; F9-I14 HydrophobicContact CE1-CG1 3.94Å; F9-I14 HydrophobicContact CE1-CG2 4.48Å; F9-I14 HydrophobicContact CE2-CG2 4.3Å; F9-I14 HydrophobicContact CZ-CD1 4.11Å; F9-I14 HydrophobicContact CZ-CG1 4.23Å; F9-I14 HydrophobicContact CZ-CG2 3.97Å; F9-I14 WeakPolarHBondContact O-CG1 3.33Å; F9-I14 PolarHBondContact O-N 3.25Å; D10-I14 WeakPolarHBondContact OD1-CD1 3.5Å; N11-I14 CarbonylContact C-O 3.59Å; N11-I14 WeakPolarHBondContact CA-O 3.41Å; N11-I14 PolarHBondContact N-O 3.34Å; N11-I14 VanDerWaalsContact N-O 3.1Å; T12-I14 PolarHBondContact N-O 3.11Å; I14-D16 WeakPolarHBondContact CD1-O 3.33Å; I14-D16 PolarHBondContact O-N 2.94Å; I14-D16 VanDerWaalsContact O-N 3.16Å; I14-L72 HydrophobicContact CD1-CD1 3.8Å; I14-L72 HydrophobicContact CG2-CB 4.4Å; I14-T75 PolarHBondContact O-OG1 3.29Å; I14-V108 HydrophobicContact CG2-CG1 3.93Å
15D98.1Very high97.8Very high54 Ų5421.7 Ų21.729%0.28911%0.114SC..SBendtrans-88.230.4-174.1-155.614.3000113.6P73 R199D15-P73 HydrophobicContact CB-CG 4.17Å; D15-P73 PolarHBondContact N-O 2.95Å; D15-R199 IonicContact OD1-CZ 2.84Å; D15-R199 IonicContact OD1-NH1 3.19Å; D15-R199 PolarHBondContact OD1-NH1 2.81Å; D15-R199 IonicContact OD1-NH2 3.73Å; D15-R199 PolarHBondContact OD1-NH2 2.86Å; D15-R199 IonicContact OD2-NH2 2.77Å
16D97.8Very high97.7Very high56 Ų5622 Ų2230%0.29912%0.116SC..SBendtrans-163.5-176.9174.7-147.3-36.4000109.4N11 I14 W21 L72N11-D16 PolarHBondContact N-O 3.32Å; I14-D16 WeakPolarHBondContact CD1-O 3.33Å; I14-D16 PolarHBondContact O-N 2.94Å; I14-D16 VanDerWaalsContact O-N 3.16Å; D16-W21 HydrophobicContact CB-CE3 4.32Å; D16-W21 WeakPolarHBondContact OD2-CZ3 3.3Å; D16-L72 HydrophobicContact CB-CD2 3.58Å
17N97.9Very high97.4Very high36 Ų3624.6 Ų24.619%0.19313%0.133CC..  trans-99.3113.6173.5178.2-67.7000111.2D19 T20 W21N17-D19 VanDerWaalsContact C-N 3.33Å; N17-D19 PolarHBondContact O-N 3.29Å; N17-D19 WeakPolarHBondContact OD1-CB 3.3Å; N17-D19 PolarHBondContact OD1-N 3.19Å; N17-D19 VanDerWaalsContact OD1-N 3.1Å; N17-T20 WeakPolarHBondContact CB-OG1 3.42Å; N17-T20 PolarHBondContact O-N 2.78Å; N17-T20 PolarHBondContact O-OG1 2.84Å; N17-T20 VanDerWaalsContact O-OG1 3.05Å; N17-T20 PolarHBondContact OD1-N 3.18Å; N17-T20 PolarHBondContact OD1-OG1 2.73Å; N17-W21 VanDerWaalsContact O-CB 3.29Å; N17-W21 WeakPolarHBondContact O-CB 3.43Å; N17-W21 PolarHBondContact O-N 3.07Å
18S97.9Very high97.2Very high0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-56.9-38.4-178.458.40000114.2D10 W21 I22 S100D10-S18 WeakPolarHBondContact OD1-CB 3.22Å; D10-S18 PolarHBondContact OD1-N 2.77Å; D10-S18 PolarHBondContact OD1-OG 3.16Å; D10-S18 PolarHBondContact OD2-OG 3.16Å; S18-W21 PolarHBondContact O-N 2.91Å; S18-I22 PolarHBondContact O-N 3.3Å; S18-S100 PolarHBondContact OG-OG 2.9Å
19D95.6Very high97Very high8 Ų838.6 Ų38.64%0.04320%0.201CC..Hα-helixtrans-67.6-40.3178.1-81-18.5000112.4N17 I22 W44 M48N17-D19 VanDerWaalsContact C-N 3.33Å; N17-D19 PolarHBondContact O-N 3.29Å; N17-D19 WeakPolarHBondContact OD1-CB 3.3Å; N17-D19 PolarHBondContact OD1-N 3.19Å; N17-D19 VanDerWaalsContact OD1-N 3.1Å; D19-I22 WeakPolarHBondContact O-CG2 3.41Å; D19-W44 HydrophobicContact CB-CZ2 4.02Å; D19-W44 PolarHBondContact OD2-NE1 3.07Å; D19-M48 HydrophobicContact CB-CE 3.73Å; D19-M48 HydrophobicContact CB-CG 4.08Å; D19-M48 HydrophobicContact CB-SD 3.89Å; D19-M48 VanDerWaalsContact O-CE 3.26Å; D19-M48 WeakPolarHBondContact O-CE 3.34Å
20T95.1Very high96.9Very high63 Ų6345.5 Ų45.539%0.38723%0.231SC..Hα-helixtrans-78.3-31.6176.464.20000112N17 I22 V23 W44N17-T20 WeakPolarHBondContact CB-OG1 3.42Å; N17-T20 PolarHBondContact O-N 2.78Å; N17-T20 PolarHBondContact O-OG1 2.84Å; N17-T20 VanDerWaalsContact O-OG1 3.05Å; N17-T20 PolarHBondContact OD1-N 3.18Å; N17-T20 PolarHBondContact OD1-OG1 2.73Å; T20-I22 VanDerWaalsContact C-N 3.27Å; T20-I22 PolarHBondContact O-N 2.96Å; T20-V23 VanDerWaalsContact O-CB 3.29Å; T20-V23 WeakPolarHBondContact O-CB 3.38Å; T20-V23 VanDerWaalsContact O-CG2 3.29Å; T20-V23 WeakPolarHBondContact O-CG2 3.48Å; T20-V23 PolarHBondContact O-N 3.36Å; T20-W44 HydrophobicContact CG2-CH2 4.05Å; T20-W44 HydrophobicContact CG2-CZ2 4.08Å
21W97.4Very high96.8Very high69 Ų6945.8 Ų45.826%0.26123%0.233SC..Hα-helixtrans-60.5-35.7177.5-172.7-102.6000112.3D16 N17 S18 V23 Q24 A68 L72D16-W21 HydrophobicContact CB-CE3 4.32Å; D16-W21 WeakPolarHBondContact OD2-CZ3 3.3Å; N17-W21 VanDerWaalsContact O-CB 3.29Å; N17-W21 WeakPolarHBondContact O-CB 3.43Å; N17-W21 PolarHBondContact O-N 3.07Å; S18-W21 PolarHBondContact O-N 2.91Å; W21-V23 PolarHBondContact O-N 3.31Å; W21-Q24 VanDerWaalsContact CE2-NE2 3.27Å; W21-Q24 VanDerWaalsContact O-CG 3.26Å; W21-Q24 WeakPolarHBondContact O-CG 3.28Å; W21-Q24 PolarHBondContact O-N 3.26Å; W21-A68 PolarHBondContact NE1-O 2.88Å; W21-L72 HydrophobicContact CB-CD1 4.22Å; W21-L72 HydrophobicContact CB-CD2 4.07Å; W21-L72 HydrophobicContact CB-CG 4.46Å; W21-L72 HydrophobicContact CD2-CD2 3.28Å; W21-L72 HydrophobicContact CD2-CG 3.87Å; W21-L72 HydrophobicContact CE3-CD2 3.56Å; W21-L72 HydrophobicContact CG-CD1 3.96Å; W21-L72 HydrophobicContact CG-CD2 3.52Å; W21-L72 HydrophobicContact CG-CG 3.77Å; W21-L72 HydrophobicContact CH2-CD2 4.38Å; W21-L72 HydrophobicContact CZ2-CD2 4.14Å; W21-L72 HydrophobicContact CZ2-CG 4.47Å; W21-L72 HydrophobicContact CZ3-CD2 4.1Å
22I97Very high96.7Very high0 Ų046.2 Ų46.20%024%0.237CC..G310 helixtrans-62.1-19.6-179.1-156.667.8000113.3S18 D19 T20 Q24 C25 M48 F52 L55 M65 A68 V69 F104S18-I22 PolarHBondContact O-N 3.3Å; D19-I22 WeakPolarHBondContact O-CG2 3.41Å; T20-I22 VanDerWaalsContact C-N 3.27Å; T20-I22 PolarHBondContact O-N 2.96Å; I22-Q24 PolarHBondContact O-N 2.92Å; I22-Q24 VanDerWaalsContact O-N 3.09Å; I22-C25 VanDerWaalsContact O-CB 3.28Å; I22-C25 WeakPolarHBondContact O-CB 3.47Å; I22-C25 PolarHBondContact O-N 3.26Å; I22-M48 HydrophobicContact CG2-CE 4.03Å; I22-F52 HydrophobicContact CG2-CE1 4.09Å; I22-L55 HydrophobicContact CG1-CD1 3.85Å; I22-L55 HydrophobicContact CG2-CD1 4.13Å; I22-M65 HydrophobicContact CD1-CB 3.79Å; I22-M65 HydrophobicContact CD1-CG 3.95Å; I22-A68 HydrophobicContact CD1-CB 4.49Å; I22-V69 HydrophobicContact CD1-CG2 3.77Å; I22-F104 HydrophobicContact CB-CZ 4.39Å; I22-F104 HydrophobicContact CD1-CE1 4.47Å; I22-F104 HydrophobicContact CD1-CZ 4Å; I22-F104 HydrophobicContact CG1-CZ 4.08Å
23V96Very high96.7Very high33 Ų3351.2 Ų51.220%0.226%0.263CS..G310 helixtrans-59.4-22.8177.8176.50000111.9T20 W21 C25 A26 L31T20-V23 VanDerWaalsContact O-CB 3.29Å; T20-V23 WeakPolarHBondContact O-CB 3.38Å; T20-V23 VanDerWaalsContact O-CG2 3.29Å; T20-V23 WeakPolarHBondContact O-CG2 3.48Å; T20-V23 PolarHBondContact O-N 3.36Å; W21-V23 PolarHBondContact O-N 3.31Å; V23-C25 PolarHBondContact O-N 2.93Å; V23-C25 VanDerWaalsContact O-N 3.17Å; V23-A26 WeakPolarHBondContact O-CB 3.33Å; V23-A26 PolarHBondContact O-N 3.22Å; V23-L31 HydrophobicContact CG1-CD2 4.31Å; V23-L31 HydrophobicContact CG1-CG 3.96Å; V23-L31 HydrophobicContact CG2-CD1 3.92Å; V23-L31 HydrophobicContact CG2-CD2 4.28Å; V23-L31 HydrophobicContact CG2-CG 4Å
24Q95.9Very high96.6Very high68 Ų6858.5 Ų58.532%0.31830%0.297SS..G310 helixtrans-62.7-20.317377.4179.8-4000113.8W21 I22 A26 A68W21-Q24 VanDerWaalsContact CE2-NE2 3.27Å; W21-Q24 VanDerWaalsContact O-CG 3.26Å; W21-Q24 WeakPolarHBondContact O-CG 3.28Å; W21-Q24 PolarHBondContact O-N 3.26Å; I22-Q24 PolarHBondContact O-N 2.92Å; I22-Q24 VanDerWaalsContact O-N 3.09Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A68 HydrophobicContact CG-CB 4.22Å
25C96.7Very high96.5Very high26 Ų2659.6 Ų59.618%0.17630%0.302CS..G310 helixtrans-78.1-16.2174-57.20000112.1I22 V23 L55 V60 A68I22-C25 VanDerWaalsContact O-CB 3.28Å; I22-C25 WeakPolarHBondContact O-CB 3.47Å; I22-C25 PolarHBondContact O-N 3.26Å; V23-C25 PolarHBondContact O-N 2.93Å; V23-C25 VanDerWaalsContact O-N 3.17Å; C25-L55 HydrophobicContact CB-CD2 4.43Å; C25-V60 HydrophobicContact CB-CG1 3.84Å; C25-V60 HydrophobicContact CB-CG2 4.28Å; C25-V60 VanDerWaalsContact O-CG2 3.24Å; C25-V60 WeakPolarHBondContact O-CG2 3.35Å; C25-A68 WeakPolarHBondContact SG-CB 3.46Å
26A96.8Very high96.5Very high6 Ų662.9 Ų62.95%0.0531%0.311CS..SBendtrans-67.3151.9178.700000111.2V23 Q24 N28 K29 K30 L31 Y54 L55V23-A26 WeakPolarHBondContact O-CB 3.33Å; V23-A26 PolarHBondContact O-N 3.22Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; A26-N28 PolarHBondContact O-N 3.39Å; A26-K29 WeakPolarHBondContact O-CA 3.27Å; A26-K29 PolarHBondContact O-N 3.43Å; A26-K30 WeakPolarHBondContact CB-O 3.24Å; A26-L31 HydrophobicContact CB-CD2 4.3Å; A26-Y54 HydrophobicContact CB-CE1 4.11Å; A26-L55 HydrophobicContact CB-CD2 3.74Å
27P93.7Very high96.4Very high54 Ų5466.1 Ų66.135%0.35133%0.328SS..G310 helixtrans-50.5130.9167.5-26.334.9000111.2K29 K30 K58P27-K29 PolarHBondContact O-N 3.27Å; P27-K29 VanDerWaalsContact O-N 3.07Å; P27-K30 PolarHBondContact O-N 3.01Å; P27-K58 HydrophobicContact CG-CB 3.85Å; P27-K58 HydrophobicContact CG-CD 4.14Å; P27-K58 HydrophobicContact CG-CG 3.82Å
28N93.7Very high96.4Very high153 Ų15366 Ų6682%0.81833%0.33SS*.G310 helixtrans57.118-175.5-51.5-49.1000114.8A26 K30A26-N28 PolarHBondContact O-N 3.39Å; N28-K30 PolarHBondContact O-N 3.47Å
29K95.6Very high96.4Very high145 Ų14571 Ų7163%0.6335%0.35SS*.G310 helixtrans55.732.8-178.1-51.9-172.7176.7-174.30113.5A26 P27A26-K29 WeakPolarHBondContact O-CA 3.27Å; A26-K29 PolarHBondContact O-N 3.43Å; P27-K29 PolarHBondContact O-N 3.27Å; P27-K29 VanDerWaalsContact O-N 3.07Å
30K95.8Very high96.4Very high145 Ų14576.6 Ų76.663%0.6338%0.376SS*.  trans-140.5142.8-176.3-70.6179.3-176.7179.40111.2A26 P27 N28A26-K30 WeakPolarHBondContact CB-O 3.24Å; P27-K30 PolarHBondContact O-N 3.01Å; N28-K30 PolarHBondContact O-N 3.47Å
31L97.2Very high96.3Very high15 Ų1582.8 Ų82.88%0.07940%0.397CS..  trans-84.4146.4169.4-59.1-179.1000110.5V23 A26 L35 R36 F47 V51 Y54V23-L31 HydrophobicContact CG1-CD2 4.31Å; V23-L31 HydrophobicContact CG1-CG 3.96Å; V23-L31 HydrophobicContact CG2-CD1 3.92Å; V23-L31 HydrophobicContact CG2-CD2 4.28Å; V23-L31 HydrophobicContact CG2-CG 4Å; A26-L31 HydrophobicContact CB-CD2 4.3Å; L31-L35 HydrophobicContact CB-CD2 4.34Å; L31-L35 HydrophobicContact CD2-CD2 4.12Å; L31-R36 HydrophobicContact CB-CG 3.68Å; L31-R36 HydrophobicContact CD1-CG 4.31Å; L31-R36 PolarHBondContact O-NE 2.89Å; L31-R36 VanDerWaalsContact O-NE 3.09Å; L31-F47 HydrophobicContact CD1-CZ 4.26Å; L31-V51 HydrophobicContact CD1-CG1 4.26Å; L31-V51 HydrophobicContact CD1-CG2 3.78Å; L31-V51 HydrophobicContact CD2-CG1 3.95Å; L31-Y54 HydrophobicContact CD2-CD1 4.05Å; L31-Y54 HydrophobicContact CD2-CE1 4.14Å
32P97.4Very high96.1Very high39 Ų3980.4 Ų80.425%0.25340%0.395SS..  trans-53.1152.2169.6-25.434.6000112.1L35 R36 Y54P32-L35 HydrophobicContact CB-CB 4.24Å; P32-L35 PolarHBondContact O-N 2.96Å; P32-R36 WeakPolarHBondContact O-CG 3.48Å; P32-R36 PolarHBondContact O-N 2.84Å; P32-R36 VanDerWaalsContact O-N 3.08Å; P32-R36 PolarHBondContact O-NE 2.77Å; P32-Y54 VanDerWaalsContact CD-CZ 3.45Å; P32-Y54 HydrophobicContact CG-CD2 4.05Å; P32-Y54 HydrophobicContact CG-CE1 4.5Å; P32-Y54 HydrophobicContact CG-CE2 3.4Å; P32-Y54 VanDerWaalsContact CG-CE2 3.4Å
33I96.9Very high96.1Very high105 Ų10584.1 Ų84.154%0.53841%0.411SS..Hα-helixtrans-61.3-47.6178.9-66.7166.1000109.8L35 R36 D37I33-L35 PolarHBondContact O-N 2.88Å; I33-R36 PolarHBondContact O-N 3.4Å; I33-R36 VanDerWaalsContact O-N 3.09Å; I33-D37 VanDerWaalsContact CG2-OD2 3.25Å; I33-D37 WeakPolarHBondContact CG2-OD2 3.39Å; I33-D37 PolarHBondContact O-N 2.84Å
34E97.1Very high96.1Very high154 Ų15486 Ų8672%0.7241%0.414SS*.Hα-helixtrans-62.3-34.2-177.4-5194.6170.900112.1S38E34-S38 PolarHBondContact O-N 2.75Å
35L97.8Very high96.1Very high22 Ų2283.1 Ų83.112%0.11540%0.401CS..Hα-helixtrans-67.4-47.8175.9179.457.9000110.9L31 P32 I33 D37 S38 F47 R50 V51 Y54L31-L35 HydrophobicContact CB-CD2 4.34Å; L31-L35 HydrophobicContact CD2-CD2 4.12Å; P32-L35 HydrophobicContact CB-CB 4.24Å; P32-L35 PolarHBondContact O-N 2.96Å; I33-L35 PolarHBondContact O-N 2.88Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.31Å; L35-S38 WeakPolarHBondContact O-CB 3.19Å; L35-S38 PolarHBondContact O-N 3.46Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L35-S38 PolarHBondContact O-OG 3.44Å; L35-F47 VanDerWaalsContact O-CE2 3.32Å; L35-F47 WeakPolarHBondContact O-CE2 3.4Å; L35-R50 HydrophobicContact CD1-CB 3.58Å; L35-V51 HydrophobicContact CD1-CG2 4.48Å; L35-V51 HydrophobicContact CD2-CG2 4.21Å; L35-V51 HydrophobicContact CG-CG2 4.38Å; L35-Y54 HydrophobicContact CD2-CD1 4.03Å; L35-Y54 HydrophobicContact CD2-CD2 4.4Å; L35-Y54 HydrophobicContact CD2-CG 3.78Å
36R96.4Very high96.2Very high123 Ų12384.6 Ų84.646%0.46441%0.406SS..Hα-helixtrans-59.8-43.8178.3-71.7-177.7-73.4167.20111.9L31 P32 I33 S38 Y39L31-R36 HydrophobicContact CB-CG 3.68Å; L31-R36 HydrophobicContact CD1-CG 4.31Å; L31-R36 PolarHBondContact O-NE 2.89Å; L31-R36 VanDerWaalsContact O-NE 3.09Å; P32-R36 WeakPolarHBondContact O-CG 3.48Å; P32-R36 PolarHBondContact O-N 2.84Å; P32-R36 VanDerWaalsContact O-N 3.08Å; P32-R36 PolarHBondContact O-NE 2.77Å; I33-R36 PolarHBondContact O-N 3.4Å; I33-R36 VanDerWaalsContact O-N 3.09Å; R36-S38 PolarHBondContact O-N 2.84Å; R36-Y39 PolarHBondContact O-N 3.13Å
37D97.4Very high96.2Very high124 Ų12485 Ų8566%0.66341%0.406SS*.Hα-helixtrans-73.4-9.8-178.4-64.4-9.9000112.6I33 L35 Y39I33-D37 VanDerWaalsContact CG2-OD2 3.25Å; I33-D37 WeakPolarHBondContact CG2-OD2 3.39Å; I33-D37 PolarHBondContact O-N 2.84Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.31Å; D37-Y39 VanDerWaalsContact C-N 3.25Å; D37-Y39 PolarHBondContact O-N 3.42Å
38S97.3Very high96.5Very high34 Ų3482.6 Ų82.624%0.23839%0.39CS..THydrogen-bonded Turntrans-75.8-7.8175.180.70000114.1E34 L35 R36 Q40 R50E34-S38 PolarHBondContact O-N 2.75Å; L35-S38 WeakPolarHBondContact O-CB 3.19Å; L35-S38 PolarHBondContact O-N 3.46Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L35-S38 PolarHBondContact O-OG 3.44Å; R36-S38 PolarHBondContact O-N 2.84Å; S38-Q40 PolarHBondContact O-N 3.03Å; S38-R50 PolarHBondContact O-NH2 2.93Å; S38-R50 PolarHBondContact OG-NE 3.45Å; S38-R50 PolarHBondContact OG-NH2 3.31Å
39Y97.3Very high96.7Very high104 Ų10476.4 Ų76.441%0.40836%0.363SS..  trans-64.5134.4178.6168.6-114.7000111.4R36 D37 W44 F47R36-Y39 PolarHBondContact O-N 3.13Å; D37-Y39 VanDerWaalsContact C-N 3.25Å; D37-Y39 PolarHBondContact O-N 3.42Å; Y39-W44 AromaticContact CD2-CE3 3.97Å; Y39-W44 HydrophobicContact CD2-CE3 3.97Å; Y39-W44 HydrophobicContact CE2-CB 4.29Å; Y39-W44 AromaticContact CE2-CE3 3.76Å; Y39-W44 HydrophobicContact CE2-CE3 3.76Å; Y39-F47 HydrophobicContact CD2-CB 4.06Å; Y39-F47 HydrophobicContact CD2-CD1 4.5Å; Y39-F47 HydrophobicContact CD2-CG 4.2Å
40Q96.3Very high96.8Very high126 Ų12673.8 Ų73.859%0.58935%0.349SS*.  trans-121135.7174.2-64.8-178.5-5.700109.5S38 G42 F43S38-Q40 PolarHBondContact O-N 3.03Å; Q40-G42 PolarHBondContact O-N 3.44Å; Q40-F43 HydrophobicContact CB-CB 4.28Å; Q40-F43 HydrophobicContact CB-CD2 4.01Å; Q40-F43 PolarHBondContact O-N 2.76Å
41K93.4Very high96.9Very high193 Ų19366.9 Ų66.984%0.83932%0.319SS*.THydrogen-bonded Turntrans-54.9124-178.5-176.6179.2177.9-178.90110.7
42G92.5Very high97Very high20 Ų2066.2 Ų66.221%0.20632%0.315CS..THydrogen-bonded Turntrans88.2-2.418000000115.2Q40 K149Q40-G42 PolarHBondContact O-N 3.44Å; G42-K149 PolarHBondContact O-N 3.5Å; G42-K149 VanDerWaalsContact O-N 3.1Å
43F96.1Very high97Very high78 Ų7869.6 Ų69.634%0.34233%0.326SS..  trans-118.746.1179.2-62.9-87.7000111.3Q40 E46 F47 K149Q40-F43 HydrophobicContact CB-CB 4.28Å; Q40-F43 HydrophobicContact CB-CD2 4.01Å; Q40-F43 PolarHBondContact O-N 2.76Å; F43-E46 WeakPolarHBondContact CA-OE2 3.29Å; F43-E46 HydrophobicContact CB-CB 4.46Å; F43-E46 WeakPolarHBondContact CB-OE2 3.4Å; F43-E46 HydrophobicContact CD1-CG 4.46Å; F43-F47 PolarHBondContact O-N 3.14Å; F43-F47 VanDerWaalsContact O-N 3.14Å; F43-K149 HydrophobicContact CD1-CG 4.48Å; F43-K149 HydrophobicContact CE1-CG 4Å; F43-K149 HydrophobicContact CZ-CG 4.14Å
44W96.3Very high97.1Very high73 Ų7366.5 Ų66.528%0.27731%0.308SS..Hα-helixtrans-65.7-40.5-179.3-179.9-99.3000111.8D19 T20 Y39 E46 F47 M48D19-W44 HydrophobicContact CB-CZ2 4.02Å; D19-W44 PolarHBondContact OD2-NE1 3.07Å; T20-W44 HydrophobicContact CG2-CH2 4.05Å; T20-W44 HydrophobicContact CG2-CZ2 4.08Å; Y39-W44 AromaticContact CD2-CE3 3.97Å; Y39-W44 HydrophobicContact CD2-CE3 3.97Å; Y39-W44 HydrophobicContact CE2-CB 4.29Å; Y39-W44 AromaticContact CE2-CE3 3.76Å; Y39-W44 HydrophobicContact CE2-CE3 3.76Å; W44-E46 PolarHBondContact O-N 2.76Å; W44-F47 HydrophobicContact CD2-CD1 4.35Å; W44-F47 AromaticContact CE3-CD1 3.95Å; W44-F47 HydrophobicContact CE3-CD1 3.95Å; W44-F47 HydrophobicContact CE3-CE1 4.41Å; W44-F47 HydrophobicContact CH2-CD1 4.26Å; W44-F47 AromaticContact CH2-CE1 3.97Å; W44-F47 HydrophobicContact CH2-CE1 3.97Å; W44-F47 AromaticContact CZ3-CD1 3.91Å; W44-F47 HydrophobicContact CZ3-CD1 3.91Å; W44-F47 AromaticContact CZ3-CE1 3.89Å; W44-F47 HydrophobicContact CZ3-CE1 3.89Å; W44-F47 WeakPolarHBondContact O-CB 3.34Å; W44-F47 PolarHBondContact O-N 3.2Å; W44-M48 HydrophobicContact CD2-CG 4.44Å; W44-M48 HydrophobicContact CZ2-CG 4.22Å; W44-M48 HydrophobicContact CZ2-SD 3.91Å; W44-M48 WeakPolarHBondContact O-CG 3.39Å; W44-M48 PolarHBondContact O-N 2.75Å
45T97.1Very high97.1Very high6 Ų659.1 Ų59.14%0.03727%0.274CS..Hα-helixtrans-64-41.9-179-61.90000111.2F47 M48 G49 V136 N138 N150T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 2.95Å; T45-M48 PolarHBondContact O-N 2.86Å; T45-G49 PolarHBondContact O-N 2.85Å; T45-V136 HydrophobicContact CG2-CB 4.47Å; T45-V136 HydrophobicContact CG2-CG1 3.9Å; T45-V136 HydrophobicContact CG2-CG2 3.88Å; T45-N138 WeakPolarHBondContact CB-OD1 3.5Å; T45-N138 VanDerWaalsContact CG2-OD1 3.32Å; T45-N138 WeakPolarHBondContact CG2-OD1 3.38Å; T45-N150 HydrophobicContact CG2-CB 4.45Å; T45-N150 WeakPolarHBondContact OG1-CB 3.27Å; T45-N150 VanDerWaalsContact OG1-CG 3.24Å; T45-N150 PolarHBondContact OG1-ND2 2.59Å
46E97.6Very high97.1Very high58 Ų5858.1 Ų58.127%0.27127%0.269SS..Hα-helixtrans-67.2-37.1176.3-6282.217200111.7F43 W44 G49 R50 N138F43-E46 WeakPolarHBondContact CA-OE2 3.29Å; F43-E46 HydrophobicContact CB-CB 4.46Å; F43-E46 WeakPolarHBondContact CB-OE2 3.4Å; F43-E46 HydrophobicContact CD1-CG 4.46Å; W44-E46 PolarHBondContact O-N 2.76Å; E46-G49 PolarHBondContact O-N 2.66Å; E46-R50 VanDerWaalsContact C-NH1 3.3Å; E46-R50 PolarHBondContact O-N 2.74Å; E46-R50 PolarHBondContact O-NH1 3.3Å; E46-N138 PolarHBondContact OE1-ND2 2.88Å
47F98.3Very high97.2Very high13 Ų1356.6 Ų56.66%0.05727%0.27CS..Hα-helixtrans-60.9-48171.1166.2-102.4000111.4L31 L35 Y39 F43 W44 T45 G49 R50 V51L31-F47 HydrophobicContact CD1-CZ 4.26Å; L35-F47 VanDerWaalsContact O-CE2 3.32Å; L35-F47 WeakPolarHBondContact O-CE2 3.4Å; Y39-F47 HydrophobicContact CD2-CB 4.06Å; Y39-F47 HydrophobicContact CD2-CD1 4.5Å; Y39-F47 HydrophobicContact CD2-CG 4.2Å; F43-F47 PolarHBondContact O-N 3.14Å; F43-F47 VanDerWaalsContact O-N 3.14Å; W44-F47 HydrophobicContact CD2-CD1 4.35Å; W44-F47 AromaticContact CE3-CD1 3.95Å; W44-F47 HydrophobicContact CE3-CD1 3.95Å; W44-F47 HydrophobicContact CE3-CE1 4.41Å; W44-F47 HydrophobicContact CH2-CD1 4.26Å; W44-F47 AromaticContact CH2-CE1 3.97Å; W44-F47 HydrophobicContact CH2-CE1 3.97Å; W44-F47 AromaticContact CZ3-CD1 3.91Å; W44-F47 HydrophobicContact CZ3-CD1 3.91Å; W44-F47 AromaticContact CZ3-CE1 3.89Å; W44-F47 HydrophobicContact CZ3-CE1 3.89Å; W44-F47 WeakPolarHBondContact O-CB 3.34Å; W44-F47 PolarHBondContact O-N 3.2Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 2.95Å; F47-G49 VanDerWaalsContact C-N 3.29Å; F47-G49 PolarHBondContact O-N 2.92Å; F47-R50 WeakPolarHBondContact O-CA 3.39Å; F47-R50 WeakPolarHBondContact O-CB 3.49Å; F47-R50 PolarHBondContact O-N 3Å; F47-V51 HydrophobicContact CD1-CG2 4.41Å; F47-V51 HydrophobicContact CE1-CG2 3.92Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.74Å; F47-V51 PolarHBondContact O-N 2.87Å
48M98.2Very high97.2Very high4 Ų456.4 Ų56.42%0.0226%0.263CS..Hα-helixtrans-63.2-34.3176.7-71.6-51.5-57.700112.6D19 I22 W44 T45 R50 V51 F52D19-M48 HydrophobicContact CB-CE 3.73Å; D19-M48 HydrophobicContact CB-CG 4.08Å; D19-M48 HydrophobicContact CB-SD 3.89Å; D19-M48 VanDerWaalsContact O-CE 3.26Å; D19-M48 WeakPolarHBondContact O-CE 3.34Å; I22-M48 HydrophobicContact CG2-CE 4.03Å; W44-M48 HydrophobicContact CD2-CG 4.44Å; W44-M48 HydrophobicContact CZ2-CG 4.22Å; W44-M48 HydrophobicContact CZ2-SD 3.91Å; W44-M48 WeakPolarHBondContact O-CG 3.39Å; W44-M48 PolarHBondContact O-N 2.75Å; T45-M48 PolarHBondContact O-N 2.86Å; M48-R50 VanDerWaalsContact C-N 3.29Å; M48-R50 PolarHBondContact O-N 3.2Å; M48-V51 HydrophobicContact CE-CB 4.11Å; M48-V51 HydrophobicContact CE-CG1 4.07Å; M48-V51 CarbonylContact O-C 3.57Å; M48-V51 WeakPolarHBondContact O-CA 2.94Å; M48-V51 WeakPolarHBondContact O-CB 3.33Å; M48-V51 PolarHBondContact O-N 2.82Å; M48-V51 HydrophobicContact SD-CB 4.33Å; M48-V51 HydrophobicContact SD-CG2 4.19Å; M48-F52 HydrophobicContact CB-CE2 4Å; M48-F52 HydrophobicContact CB-CZ 4.17Å; M48-F52 HydrophobicContact CE-CD1 4.37Å; M48-F52 HydrophobicContact CE-CE1 3.59Å; M48-F52 HydrophobicContact CE-CZ 3.67Å; M48-F52 VanDerWaalsContact O-CD2 3.23Å; M48-F52 WeakPolarHBondContact O-CD2 3.48Å; M48-F52 VanDerWaalsContact O-CG 3.27Å; M48-F52 WeakPolarHBondContact O-CG 3.42Å; M48-F52 PolarHBondContact O-N 3.42Å
49G98Very high97.2Very high24 Ų2456.4 Ų56.425%0.24727%0.268CS..Hα-helixtrans-56.9-39.417000000113.3T45 E46 F47 K53T45-G49 PolarHBondContact O-N 2.85Å; E46-G49 PolarHBondContact O-N 2.66Å; F47-G49 VanDerWaalsContact C-N 3.29Å; F47-G49 PolarHBondContact O-N 2.92Å; G49-K53 WeakPolarHBondContact O-CB 3.21Å; G49-K53 PolarHBondContact O-N 3.08Å; G49-K53 VanDerWaalsContact O-N 3.07Å
50R98.3Very high97.2Very high89 Ų8951.7 Ų51.734%0.33625%0.25SS..Hα-helixtrans-69.1-37.6173.2-65.4-174.6-68.6-7710.1112L35 S38 E46 F47 M48 Y54L35-R50 HydrophobicContact CD1-CB 3.58Å; S38-R50 PolarHBondContact O-NH2 2.93Å; S38-R50 PolarHBondContact OG-NE 3.45Å; S38-R50 PolarHBondContact OG-NH2 3.31Å; E46-R50 VanDerWaalsContact C-NH1 3.3Å; E46-R50 PolarHBondContact O-N 2.74Å; E46-R50 PolarHBondContact O-NH1 3.3Å; F47-R50 WeakPolarHBondContact O-CA 3.39Å; F47-R50 WeakPolarHBondContact O-CB 3.49Å; F47-R50 PolarHBondContact O-N 3Å; M48-R50 VanDerWaalsContact C-N 3.29Å; M48-R50 PolarHBondContact O-N 3.2Å; R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 3.35Å
51V98.4Very high97.2Very high0 Ų050.7 Ų50.70%024%0.241CC..Hα-helixtrans-62.4-48.7174.8175.90000111.2L31 L35 F47 M48 K53 Y54 L55L31-V51 HydrophobicContact CD1-CG1 4.26Å; L31-V51 HydrophobicContact CD1-CG2 3.78Å; L31-V51 HydrophobicContact CD2-CG1 3.95Å; L35-V51 HydrophobicContact CD1-CG2 4.48Å; L35-V51 HydrophobicContact CD2-CG2 4.21Å; L35-V51 HydrophobicContact CG-CG2 4.38Å; F47-V51 HydrophobicContact CD1-CG2 4.41Å; F47-V51 HydrophobicContact CE1-CG2 3.92Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.74Å; F47-V51 PolarHBondContact O-N 2.87Å; M48-V51 HydrophobicContact CE-CB 4.11Å; M48-V51 HydrophobicContact CE-CG1 4.07Å; M48-V51 CarbonylContact O-C 3.57Å; M48-V51 WeakPolarHBondContact O-CA 2.94Å; M48-V51 WeakPolarHBondContact O-CB 3.33Å; M48-V51 PolarHBondContact O-N 2.82Å; M48-V51 HydrophobicContact SD-CB 4.33Å; M48-V51 HydrophobicContact SD-CG2 4.19Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 2.96Å; V51-Y54 WeakPolarHBondContact O-CB 3.4Å; V51-Y54 PolarHBondContact O-N 3.42Å; V51-Y54 VanDerWaalsContact O-N 3.13Å; V51-L55 HydrophobicContact CG1-CD1 4.24Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CG 3.4Å; V51-L55 PolarHBondContact O-N 2.91Å
52F98.5Very high97.4Very high1 Ų145.9 Ų45.90%0.00422%0.222CC..Hα-helixtrans-63.6-39.7179.2-59.9-36.9000112.3I22 M48 L55 G56 F104 L134 V136I22-F52 HydrophobicContact CG2-CE1 4.09Å; M48-F52 HydrophobicContact CB-CE2 4Å; M48-F52 HydrophobicContact CB-CZ 4.17Å; M48-F52 HydrophobicContact CE-CD1 4.37Å; M48-F52 HydrophobicContact CE-CE1 3.59Å; M48-F52 HydrophobicContact CE-CZ 3.67Å; M48-F52 VanDerWaalsContact O-CD2 3.23Å; M48-F52 WeakPolarHBondContact O-CD2 3.48Å; M48-F52 VanDerWaalsContact O-CG 3.27Å; M48-F52 WeakPolarHBondContact O-CG 3.42Å; M48-F52 PolarHBondContact O-N 3.42Å; F52-L55 PolarHBondContact O-N 3.49Å; F52-G56 PolarHBondContact O-N 3.09Å; F52-F104 HydrophobicContact CE1-CE2 4.11Å; F52-F104 AromaticContact CE1-CZ 3.7Å; F52-F104 HydrophobicContact CE1-CZ 3.7Å; F52-F104 HydrophobicContact CZ-CE2 4.03Å; F52-F104 AromaticContact CZ-CZ 3.91Å; F52-F104 HydrophobicContact CZ-CZ 3.91Å; F52-L134 HydrophobicContact CB-CB 4.17Å; F52-L134 WeakPolarHBondContact CB-O 3.33Å; F52-L134 HydrophobicContact CD1-CD2 4.05Å; F52-L134 HydrophobicContact CD2-CD2 4.13Å; F52-L134 HydrophobicContact CD2-CG 4.19Å; F52-L134 HydrophobicContact CE1-CD2 4.08Å; F52-L134 HydrophobicContact CE2-CD2 4.15Å; F52-L134 HydrophobicContact CG-CB 4.29Å; F52-L134 HydrophobicContact CG-CD2 4.1Å; F52-L134 HydrophobicContact CG-CG 4.29Å; F52-L134 HydrophobicContact CZ-CD2 4.13Å; F52-V136 HydrophobicContact CD2-CB 4.36Å; F52-V136 HydrophobicContact CD2-CG1 3.93Å; F52-V136 HydrophobicContact CE2-CB 4.05Å; F52-V136 HydrophobicContact CE2-CG1 3.74Å
53K97.8Very high97.6Very high110 Ų11049.9 Ų49.948%0.47824%0.235SC..Hα-helixtrans-58.6-48.5170.8173.3165.1170.1360111.6G49 V51 L55 G56 D57G49-K53 WeakPolarHBondContact O-CB 3.21Å; G49-K53 PolarHBondContact O-N 3.08Å; G49-K53 VanDerWaalsContact O-N 3.07Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 2.96Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 2.87Å; K53-G56 PolarHBondContact O-N 3.27Å; K53-D57 VanDerWaalsContact NZ-CG 3.26Å; K53-D57 IonicContact NZ-OD1 2.96Å; K53-D57 PolarHBondContact NZ-OD1 3.36Å; K53-D57 IonicContact NZ-OD2 2.73Å; K53-D57 PolarHBondContact NZ-OD2 2.93Å; K53-D57 VanDerWaalsContact O-CG 3.22Å; K53-D57 PolarHBondContact O-N 3.48Å
54Y98.2Very high97.7Very high40 Ų4049.3 Ų49.316%0.15723%0.233CC..Hα-helixtrans-58.4-44.9178166.4-97.4000112A26 L31 P32 L35 R50 V51 G56 D57 K58A26-Y54 HydrophobicContact CB-CE1 4.11Å; L31-Y54 HydrophobicContact CD2-CD1 4.05Å; L31-Y54 HydrophobicContact CD2-CE1 4.14Å; P32-Y54 VanDerWaalsContact CD-CZ 3.45Å; P32-Y54 HydrophobicContact CG-CD2 4.05Å; P32-Y54 HydrophobicContact CG-CE1 4.5Å; P32-Y54 HydrophobicContact CG-CE2 3.4Å; P32-Y54 VanDerWaalsContact CG-CE2 3.4Å; L35-Y54 HydrophobicContact CD2-CD1 4.03Å; L35-Y54 HydrophobicContact CD2-CD2 4.4Å; L35-Y54 HydrophobicContact CD2-CG 3.78Å; R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 3.35Å; V51-Y54 WeakPolarHBondContact O-CB 3.4Å; V51-Y54 PolarHBondContact O-N 3.42Å; V51-Y54 VanDerWaalsContact O-N 3.13Å; Y54-G56 VanDerWaalsContact C-N 3.35Å; Y54-G56 PolarHBondContact O-N 3.1Å; Y54-D57 PolarHBondContact O-N 2.94Å; Y54-K58 HydrophobicContact CD2-CG 4.23Å; Y54-K58 HydrophobicContact CE1-CG 4.15Å; Y54-K58 HydrophobicContact CE2-CD 4.24Å; Y54-K58 VanDerWaalsContact CE2-CE 3.44Å; Y54-K58 HydrophobicContact CE2-CG 3.76Å; Y54-K58 WeakPolarHBondContact O-CG 3.45Å; Y54-K58 PolarHBondContact O-N 3.25Å
55L98.3Very high97.8Very high0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-60.7-45.1177.1-67177.6000111.3I22 C25 A26 V51 F52 K53 K58 G59 V60 M65I22-L55 HydrophobicContact CG1-CD1 3.85Å; I22-L55 HydrophobicContact CG2-CD1 4.13Å; C25-L55 HydrophobicContact CB-CD2 4.43Å; A26-L55 HydrophobicContact CB-CD2 3.74Å; V51-L55 HydrophobicContact CG1-CD1 4.24Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CG 3.4Å; V51-L55 PolarHBondContact O-N 2.91Å; F52-L55 PolarHBondContact O-N 3.49Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 2.87Å; L55-K58 CarbonylContact O-C 3.55Å; L55-K58 PolarHBondContact O-N 3.45Å; L55-K58 VanDerWaalsContact O-N 3.14Å; L55-G59 PolarHBondContact O-N 3.27Å; L55-V60 HydrophobicContact CB-CB 4.07Å; L55-V60 HydrophobicContact CB-CG2 4.18Å; L55-V60 HydrophobicContact CD2-CG2 4.24Å; L55-V60 VanDerWaalsContact O-CB 3.31Å; L55-V60 WeakPolarHBondContact O-CB 3.23Å; L55-V60 WeakPolarHBondContact O-CG2 3.34Å; L55-V60 PolarHBondContact O-N 3.39Å; L55-M65 HydrophobicContact CB-CE 3.72Å; L55-M65 HydrophobicContact CD1-CE 4.02Å
56G97.8Very high97.8Very high1 Ų150 Ų501%0.0124%0.238CC..Hα-helixtrans-58.9-46175.200000113.1F52 K53 Y54 K58 G59 R61F52-G56 PolarHBondContact O-N 3.09Å; K53-G56 PolarHBondContact O-N 3.27Å; Y54-G56 VanDerWaalsContact C-N 3.35Å; Y54-G56 PolarHBondContact O-N 3.1Å; G56-K58 PolarHBondContact O-N 3.13Å; G56-G59 PolarHBondContact O-N 2.9Å; G56-R61 PolarHBondContact O-NH1 2.97Å
57D97.5Very high97.9Very high91 Ų9154 Ų5449%0.48725%0.251SS..Hα-helixtrans-63.1-27.2176.7-66.4-22.1000112.1K53 Y54 G59 H133K53-D57 VanDerWaalsContact NZ-CG 3.26Å; K53-D57 IonicContact NZ-OD1 2.96Å; K53-D57 PolarHBondContact NZ-OD1 3.36Å; K53-D57 IonicContact NZ-OD2 2.73Å; K53-D57 PolarHBondContact NZ-OD2 2.93Å; K53-D57 VanDerWaalsContact O-CG 3.22Å; K53-D57 PolarHBondContact O-N 3.48Å; Y54-D57 PolarHBondContact O-N 2.94Å; D57-G59 VanDerWaalsContact C-N 3.29Å; D57-H133 IonicContact OD1-CE1 2.77Å; D57-H133 PolarHBondContact OD1-CE1 3.3Å
58K97.8Very high97.9Very high120 Ų12054 Ų5452%0.52225%0.252SS..THydrogen-bonded Turntrans-86.66.3174.1-65.5-55.9-179-170.40114.3P27 Y54 L55 G56P27-K58 HydrophobicContact CG-CB 3.85Å; P27-K58 HydrophobicContact CG-CD 4.14Å; P27-K58 HydrophobicContact CG-CG 3.82Å; Y54-K58 HydrophobicContact CD2-CG 4.23Å; Y54-K58 HydrophobicContact CE1-CG 4.15Å; Y54-K58 HydrophobicContact CE2-CD 4.24Å; Y54-K58 VanDerWaalsContact CE2-CE 3.44Å; Y54-K58 HydrophobicContact CE2-CG 3.76Å; Y54-K58 WeakPolarHBondContact O-CG 3.45Å; Y54-K58 PolarHBondContact O-N 3.25Å; L55-K58 CarbonylContact O-C 3.55Å; L55-K58 PolarHBondContact O-N 3.45Å; L55-K58 VanDerWaalsContact O-N 3.14Å; G56-K58 PolarHBondContact O-N 3.13Å
59G96.9Very high97.9Very high34 Ų3453.8 Ų53.835%0.35125%0.251SS..THydrogen-bonded Turntrans88.23174.900000114.5L55 G56 D57 R61L55-G59 PolarHBondContact O-N 3.27Å; G56-G59 PolarHBondContact O-N 2.9Å; D57-G59 VanDerWaalsContact C-N 3.29Å; G59-R61 PolarHBondContact O-N 3.02Å
60V97.8Very high97.9Very high5 Ų555.1 Ų55.13%0.0326%0.255CS..  trans-66.3131.2174.8-176.80000108.8C25 L55 E64 M65C25-V60 HydrophobicContact CB-CG1 3.84Å; C25-V60 HydrophobicContact CB-CG2 4.28Å; C25-V60 VanDerWaalsContact O-CG2 3.24Å; C25-V60 WeakPolarHBondContact O-CG2 3.35Å; L55-V60 HydrophobicContact CB-CB 4.07Å; L55-V60 HydrophobicContact CB-CG2 4.18Å; L55-V60 HydrophobicContact CD2-CG2 4.24Å; L55-V60 VanDerWaalsContact O-CB 3.31Å; L55-V60 WeakPolarHBondContact O-CB 3.23Å; L55-V60 WeakPolarHBondContact O-CG2 3.34Å; L55-V60 PolarHBondContact O-N 3.39Å; V60-E64 HydrophobicContact CG1-CB 4.09Å; V60-M65 HydrophobicContact CB-CE 4.22Å; V60-M65 HydrophobicContact CG1-CE 3.75Å; V60-M65 HydrophobicContact CG1-CG 3.75Å
61R95.7Very high97.8Very high105 Ų10554.2 Ų54.240%0.39626%0.262SS..  trans-115.9166.1-179.3-59.5-61.1170.5-116.17.8112.1G56 G59 H63 E64 M65G56-R61 PolarHBondContact O-NH1 2.97Å; G59-R61 PolarHBondContact O-N 3.02Å; R61-H63 VanDerWaalsContact C-N 3.27Å; R61-H63 PolarHBondContact O-N 3.31Å; R61-H63 VanDerWaalsContact O-N 3.14Å; R61-E64 PolarHBondContact N-OE2 3.18Å; R61-E64 WeakPolarHBondContact O-CB 3.36Å; R61-E64 PolarHBondContact O-N 3.23Å; R61-M65 PolarHBondContact O-N 3.16Å
62E97.9Very high97.8Very high92 Ų9254.6 Ų54.643%0.4326%0.264SS..Hα-helixtrans-44.4-50.4-178.2-178.7177.5170.100113E64 M65 K66 W107 F128E62-E64 VanDerWaalsContact C-N 3.29Å; E62-E64 PolarHBondContact O-N 3.35Å; E62-M65 PolarHBondContact O-N 2.83Å; E62-K66 WeakPolarHBondContact O-CB 3.44Å; E62-K66 PolarHBondContact O-N 3.4Å; E62-W107 HydrophobicContact CG-CH2 3.9Å; E62-W107 HydrophobicContact CG-CZ2 3.5Å; E62-F128 HydrophobicContact CB-CD1 4.35Å; E62-F128 HydrophobicContact CB-CE1 3.79Å; E62-F128 HydrophobicContact CB-CE2 3.99Å; E62-F128 HydrophobicContact CB-CZ 3.61Å; E62-F128 HydrophobicContact CG-CD2 4.19Å; E62-F128 HydrophobicContact CG-CE1 4.28Å; E62-F128 HydrophobicContact CG-CE2 3.54Å; E62-F128 HydrophobicContact CG-CZ 3.61Å
63H97.3Very high97.8Very high104 Ų10457.9 Ų57.948%0.48129%0.285SS..Hα-helixtrans-62.6-31.7-177.276.4-52.6000113.8R61 R67R61-H63 VanDerWaalsContact C-N 3.27Å; R61-H63 PolarHBondContact O-N 3.31Å; R61-H63 VanDerWaalsContact O-N 3.14Å; H63-R67 PolarHBondContact CD2-NH1 3.35Å; H63-R67 PolarHBondContact NE2-NH1 2.89Å; H63-R67 WeakPolarHBondContact O-CG 3.44Å; H63-R67 PolarHBondContact O-N 3.48Å; H63-R67 VanDerWaalsContact O-N 3.09Å
64E97.7Very high97.8Very high66 Ų6654.7 Ų54.731%0.30827%0.272SS..Hα-helixtrans-71.4-46.1174.4-74.3159.9108.600110.8V60 R61 E62 K66 R67 A68V60-E64 HydrophobicContact CG1-CB 4.09Å; R61-E64 PolarHBondContact N-OE2 3.18Å; R61-E64 WeakPolarHBondContact O-CB 3.36Å; R61-E64 PolarHBondContact O-N 3.23Å; E62-E64 VanDerWaalsContact C-N 3.29Å; E62-E64 PolarHBondContact O-N 3.35Å; E64-K66 VanDerWaalsContact C-N 3.32Å; E64-K66 PolarHBondContact O-N 3.46Å; E64-R67 PolarHBondContact O-N 3.12Å; E64-A68 WeakPolarHBondContact O-CB 3.5Å; E64-A68 PolarHBondContact O-N 3.39Å
65M98.4Very high97.8Very high2 Ų252.9 Ų52.91%0.0126%0.264CS..Hα-helixtrans-60-44.9176.1-62.7-172.4177.300111.1I22 L55 V60 R61 E62 R67 A68 V69 W107 F128 L134I22-M65 HydrophobicContact CD1-CB 3.79Å; I22-M65 HydrophobicContact CD1-CG 3.95Å; L55-M65 HydrophobicContact CB-CE 3.72Å; L55-M65 HydrophobicContact CD1-CE 4.02Å; V60-M65 HydrophobicContact CB-CE 4.22Å; V60-M65 HydrophobicContact CG1-CE 3.75Å; V60-M65 HydrophobicContact CG1-CG 3.75Å; R61-M65 PolarHBondContact O-N 3.16Å; E62-M65 PolarHBondContact O-N 2.83Å; M65-R67 PolarHBondContact O-N 2.99Å; M65-A68 WeakPolarHBondContact O-CB 3.42Å; M65-A68 PolarHBondContact O-N 3.32Å; M65-V69 WeakPolarHBondContact O-CG2 3.24Å; M65-V69 PolarHBondContact O-N 3.03Å; M65-W107 HydrophobicContact CB-CH2 4.05Å; M65-W107 HydrophobicContact CB-CZ3 3.89Å; M65-F128 HydrophobicContact SD-CE1 4.34Å; M65-F128 HydrophobicContact SD-CZ 4.23Å; M65-L134 HydrophobicContact SD-CB 4.3Å; M65-L134 HydrophobicContact SD-CD2 4.31Å
66K98.6Very high97.8Very high92 Ų9256.2 Ų56.240%0.429%0.286SS..Hα-helixtrans-61.1-46.3177.8-175171.6-175.2175.20111.6E62 E64 A68 V69 T70 W107E62-K66 WeakPolarHBondContact O-CB 3.44Å; E62-K66 PolarHBondContact O-N 3.4Å; E64-K66 VanDerWaalsContact C-N 3.32Å; E64-K66 PolarHBondContact O-N 3.46Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 2.91Å; K66-V69 PolarHBondContact O-N 2.78Å; K66-T70 HydrophobicContact CG-CG2 4.2Å; K66-T70 WeakPolarHBondContact O-CB 3.28Å; K66-T70 VanDerWaalsContact O-CG2 3.3Å; K66-T70 WeakPolarHBondContact O-CG2 3.47Å; K66-T70 PolarHBondContact O-N 3.14Å; K66-T70 PolarHBondContact O-OG1 2.81Å; K66-W107 VanDerWaalsContact CA-CE3 3.48Å; K66-W107 VanDerWaalsContact CA-CZ3 3.49Å; K66-W107 HydrophobicContact CB-CD2 3.83Å; K66-W107 HydrophobicContact CB-CE3 3.79Å; K66-W107 HydrophobicContact CB-CH2 3.97Å; K66-W107 HydrophobicContact CB-CZ2 4.04Å; K66-W107 HydrophobicContact CB-CZ3 3.86Å; K66-W107 HydrophobicContact CD-CD2 4.08Å; K66-W107 HydrophobicContact CD-CG 4.06Å; K66-W107 HydrophobicContact CG-CB 4.34Å; K66-W107 HydrophobicContact CG-CD2 3.67Å; K66-W107 HydrophobicContact CG-CE3 4.03Å; K66-W107 HydrophobicContact CG-CG 3.84Å
67R98.3Very high97.9Very high142 Ų14256.9 Ų56.954%0.53629%0.293SS..Hα-helixtrans-60-42.9175.6-77.3-166.4-49.5-90.91.7112H63 E64 M65 T70 S71H63-R67 PolarHBondContact CD2-NH1 3.35Å; H63-R67 PolarHBondContact NE2-NH1 2.89Å; H63-R67 WeakPolarHBondContact O-CG 3.44Å; H63-R67 PolarHBondContact O-N 3.48Å; H63-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 PolarHBondContact O-N 3.12Å; M65-R67 PolarHBondContact O-N 2.99Å; R67-T70 PolarHBondContact O-OG1 2.86Å; R67-S71 WeakPolarHBondContact O-CB 3.35Å; R67-S71 PolarHBondContact O-N 2.94Å
68A98.1Very high97.9Very high11 Ų1152.6 Ų52.69%0.09127%0.27CS..Hα-helixtrans-63.4-51.5178.500000111.8W21 I22 Q24 C25 E64 M65 K66 S71W21-A68 PolarHBondContact NE1-O 2.88Å; I22-A68 HydrophobicContact CD1-CB 4.49Å; Q24-A68 HydrophobicContact CG-CB 4.22Å; C25-A68 WeakPolarHBondContact SG-CB 3.46Å; E64-A68 WeakPolarHBondContact O-CB 3.5Å; E64-A68 PolarHBondContact O-N 3.39Å; M65-A68 WeakPolarHBondContact O-CB 3.42Å; M65-A68 PolarHBondContact O-N 3.32Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 2.91Å; A68-S71 PolarHBondContact O-N 2.93Å; A68-S71 PolarHBondContact O-OG 3.22Å
69V98.3Very high97.9Very high0 Ų049.5 Ų49.50%026%0.261CS..Hα-helixtrans-68-39.5-177.3173.40000111.5I22 M65 K66 S71 L72 F104 W107 V108I22-V69 HydrophobicContact CD1-CG2 3.77Å; M65-V69 WeakPolarHBondContact O-CG2 3.24Å; M65-V69 PolarHBondContact O-N 3.03Å; K66-V69 PolarHBondContact O-N 2.78Å; V69-S71 PolarHBondContact O-N 3.08Å; V69-L72 HydrophobicContact CG1-CD1 4.34Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 WeakPolarHBondContact O-CD1 3.15Å; V69-L72 PolarHBondContact O-N 3.45Å; V69-L72 VanDerWaalsContact O-N 3.16Å; V69-F104 HydrophobicContact CG1-CB 4.02Å; V69-F104 HydrophobicContact CG1-CD1 4.45Å; V69-F104 HydrophobicContact CG1-CG 4.13Å; V69-F104 HydrophobicContact CG2-CD1 3.98Å; V69-F104 HydrophobicContact CG2-CD2 4.19Å; V69-F104 HydrophobicContact CG2-CE1 4.01Å; V69-F104 HydrophobicContact CG2-CE2 4.23Å; V69-F104 HydrophobicContact CG2-CG 4.08Å; V69-F104 HydrophobicContact CG2-CZ 4.14Å; V69-W107 HydrophobicContact CB-CE3 4.4Å; V69-V108 HydrophobicContact CG1-CG2 3.68Å
70T98.2Very high98Very high53 Ų5353 Ų5333%0.32527%0.269SS..Hα-helixtrans-73.1-9178.155.80000113.8K66 R67 L72 W107 A111K66-T70 HydrophobicContact CG-CG2 4.2Å; K66-T70 WeakPolarHBondContact O-CB 3.28Å; K66-T70 VanDerWaalsContact O-CG2 3.3Å; K66-T70 WeakPolarHBondContact O-CG2 3.47Å; K66-T70 PolarHBondContact O-N 3.14Å; K66-T70 PolarHBondContact O-OG1 2.81Å; R67-T70 PolarHBondContact O-OG1 2.86Å; T70-L72 VanDerWaalsContact C-N 3.33Å; T70-W107 HydrophobicContact CG2-CB 4Å; T70-A111 HydrophobicContact CG2-CB 3.72Å
71S97.6Very high98.1Very high69 Ų6952.8 Ų52.848%0.48327%0.267SS..THydrogen-bonded Turntrans-86.2-2.4171.183.60000113.6R67 A68 V69R67-S71 WeakPolarHBondContact O-CB 3.35Å; R67-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-N 2.93Å; A68-S71 PolarHBondContact O-OG 3.22Å; V69-S71 PolarHBondContact O-N 3.08Å
72L97.1Very high98.2Very high9 Ų947.8 Ų47.85%0.04725%0.248CC..SBendtrans-63.5130.6174.6-82.1159.8000109.9I14 D16 W21 V69 T70I14-L72 HydrophobicContact CD1-CD1 3.8Å; I14-L72 HydrophobicContact CG2-CB 4.4Å; D16-L72 HydrophobicContact CB-CD2 3.58Å; W21-L72 HydrophobicContact CB-CD1 4.22Å; W21-L72 HydrophobicContact CB-CD2 4.07Å; W21-L72 HydrophobicContact CB-CG 4.46Å; W21-L72 HydrophobicContact CD2-CD2 3.28Å; W21-L72 HydrophobicContact CD2-CG 3.87Å; W21-L72 HydrophobicContact CE3-CD2 3.56Å; W21-L72 HydrophobicContact CG-CD1 3.96Å; W21-L72 HydrophobicContact CG-CD2 3.52Å; W21-L72 HydrophobicContact CG-CG 3.77Å; W21-L72 HydrophobicContact CH2-CD2 4.38Å; W21-L72 HydrophobicContact CZ2-CD2 4.14Å; W21-L72 HydrophobicContact CZ2-CG 4.47Å; W21-L72 HydrophobicContact CZ3-CD2 4.1Å; V69-L72 HydrophobicContact CG1-CD1 4.34Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 WeakPolarHBondContact O-CD1 3.15Å; V69-L72 PolarHBondContact O-N 3.45Å; V69-L72 VanDerWaalsContact O-N 3.16Å; T70-L72 VanDerWaalsContact C-N 3.33Å
73P97.8Very high98.3Very high69 Ų6946.3 Ų46.345%0.44824%0.244SC..PPolyproline II helixtrans-67.6145.5172.428.7-32.5000110.1D15D15-P73 HydrophobicContact CB-CG 4.17Å; D15-P73 PolarHBondContact N-O 2.95Å
74F98.6Very high98.3Very high44 Ų4442.7 Ų42.719%0.19323%0.226CC..BIsolated β-bridgetrans-70.5150.2162.6-76.2-84.7000110I13 M78 V79 F82 V108 A112 F114I13-F74 HydrophobicContact CG2-CD1 3.79Å; I13-F74 HydrophobicContact CG2-CE1 3.68Å; I13-F74 WeakPolarHBondContact O-CD1 3.29Å; F74-M78 HydrophobicContact CB-CB 4.2Å; F74-M78 HydrophobicContact CD1-CB 4.46Å; F74-M78 HydrophobicContact CD1-CG 4.15Å; F74-V79 HydrophobicContact CB-CG2 4.32Å; F74-V79 HydrophobicContact CD2-CG2 4.2Å; F74-V79 HydrophobicContact CG-CG2 4.27Å; F74-F82 HydrophobicContact CD1-CE2 4.31Å; F74-F82 AromaticContact CE1-CE2 3.97Å; F74-F82 HydrophobicContact CE1-CE2 3.97Å; F74-V108 HydrophobicContact CE1-CG1 4.01Å; F74-V108 HydrophobicContact CE2-CG1 4.43Å; F74-V108 HydrophobicContact CZ-CG1 3.65Å; F74-A112 HydrophobicContact CE2-CB 3.53Å; F74-A112 HydrophobicContact CZ-CB 3.53Å; F74-F114 HydrophobicContact CZ-CD2 4.48Å
75T98.6Very high98.4Very high1 Ų139.6 Ų39.61%0.00621%0.212CC..PPolyproline II helixtrans-55.4139169.6-55.90000109.8T12 I13 I14 G77 M78 W225T12-T75 VanDerWaalsContact O-CB 3.27Å; T12-T75 WeakPolarHBondContact O-CB 3.5Å; T12-T75 PolarHBondContact O-OG1 3.43Å; I13-T75 PolarHBondContact O-N 3.28Å; I13-T75 PolarHBondContact O-OG1 3.16Å; I14-T75 PolarHBondContact O-OG1 3.29Å; T75-G77 PolarHBondContact O-N 3.46Å; T75-M78 WeakPolarHBondContact O-CB 3.31Å; T75-M78 PolarHBondContact O-N 2.81Å; T75-W225 HydrophobicContact CG2-CH2 4Å; T75-W225 HydrophobicContact CG2-CZ3 3.61Å
76P98.6Very high98.3Very high71 Ų7142.8 Ų42.846%0.46122%0.224SC..THydrogen-bonded Turntrans-50131.5-177.1-30.436.2000112.5M78 S227 G228P76-M78 VanDerWaalsContact C-N 3.31Å; P76-M78 PolarHBondContact O-N 3.19Å; P76-S227 CarbonylContact O-C 3.36Å; P76-S227 WeakPolarHBondContact O-CA 3.5Å; P76-S227 VanDerWaalsContact O-CB 3.24Å; P76-S227 WeakPolarHBondContact O-CB 3.17Å; P76-G228 PolarHBondContact O-N 2.96Å
77G98.6Very high98.3Very high15 Ų1546.5 Ų46.516%0.15524%0.24CC..THydrogen-bonded Turntrans81.9-4.7-179.700000115.9T75 E80 L81 G228T75-G77 PolarHBondContact O-N 3.46Å; G77-E80 WeakPolarHBondContact CA-OE2 3.32Å; G77-E80 PolarHBondContact O-N 2.98Å; G77-L81 PolarHBondContact O-N 3.28Å; G77-G228 WeakPolarHBondContact O-CA 3.29Å
78M98.6Very high98.3Very high1 Ų141.5 Ų41.51%0.00522%0.224CC..Hα-helixtrans-70.2-33.9-174.6-17062.558.800112.7F7 T12 I13 F74 T75 P76 E80 L81 F82 W225F7-M78 HydrophobicContact CE1-SD 4.32Å; T12-M78 WeakPolarHBondContact O-CE 3.49Å; I13-M78 HydrophobicContact CG1-SD 4.42Å; I13-M78 HydrophobicContact CG2-CG 4.32Å; F74-M78 HydrophobicContact CB-CB 4.2Å; F74-M78 HydrophobicContact CD1-CB 4.46Å; F74-M78 HydrophobicContact CD1-CG 4.15Å; T75-M78 WeakPolarHBondContact O-CB 3.31Å; T75-M78 PolarHBondContact O-N 2.81Å; P76-M78 VanDerWaalsContact C-N 3.31Å; P76-M78 PolarHBondContact O-N 3.19Å; M78-E80 VanDerWaalsContact C-N 3.34Å; M78-L81 HydrophobicContact CE-CD2 4.41Å; M78-L81 WeakPolarHBondContact O-CB 3.45Å; M78-L81 PolarHBondContact O-N 3.4Å; M78-L81 HydrophobicContact SD-CD2 3.77Å; M78-F82 HydrophobicContact CG-CD1 4.47Å; M78-F82 HydrophobicContact CG-CD2 4.34Å; M78-F82 HydrophobicContact CG-CE1 3.89Å; M78-F82 HydrophobicContact CG-CE2 3.76Å; M78-F82 HydrophobicContact CG-CZ 3.49Å; M78-F82 VanDerWaalsContact CG-CZ 3.49Å; M78-F82 WeakPolarHBondContact O-CG 3.4Å; M78-F82 PolarHBondContact O-N 3.45Å; M78-F82 HydrophobicContact SD-CD1 4.17Å; M78-F82 HydrophobicContact SD-CE1 3.42Å; M78-F82 WeakPolarHBondContact SD-CE1 3.43Å; M78-F82 HydrophobicContact SD-CE2 4.39Å; M78-F82 HydrophobicContact SD-CZ 3.56Å; M78-F82 VanDerWaalsContact SD-CZ 3.56Å; M78-W225 HydrophobicContact CE-CH2 4.42Å; M78-W225 HydrophobicContact CE-CZ3 4.45Å
79V98.4Very high98.1Very high55 Ų5543.2 Ų43.233%0.33323%0.229SC..Hα-helixtrans-63.2-43.3175.6173.50000110.3F74 L81 F82 N83 F114F74-V79 HydrophobicContact CB-CG2 4.32Å; F74-V79 HydrophobicContact CD2-CG2 4.2Å; F74-V79 HydrophobicContact CG-CG2 4.27Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-F82 PolarHBondContact O-N 3.02Å; V79-N83 PolarHBondContact O-N 3.3Å; V79-N83 VanDerWaalsContact O-N 3.08Å; V79-N83 PolarHBondContact O-ND2 2.95Å; V79-F114 HydrophobicContact CB-CE2 4.43Å; V79-F114 HydrophobicContact CB-CZ 4.33Å; V79-F114 HydrophobicContact CG1-CE2 4.11Å; V79-F114 HydrophobicContact CG1-CZ 3.76Å; V79-F114 HydrophobicContact CG2-CE2 4.22Å
80E98.7Very high98Very high107 Ų10748.2 Ų48.250%0.526%0.256SS..Hα-helixtrans-63.6-41.8174.9-65.379.6177.900110.9G77 M78 N83 F84 I232G77-E80 WeakPolarHBondContact CA-OE2 3.32Å; G77-E80 PolarHBondContact O-N 2.98Å; M78-E80 VanDerWaalsContact C-N 3.34Å; E80-N83 PolarHBondContact O-N 3.5Å; E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 3.26Å; E80-I232 HydrophobicContact CB-CD1 3.92Å
81L98.8Very high98Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-62.1-46.5177.6173.960.8000111.4F7 G77 M78 V79 N83 F84 I85 I231 I232 L235F7-L81 HydrophobicContact CE1-CD2 3.87Å; F7-L81 HydrophobicContact CZ-CD2 3.91Å; G77-L81 PolarHBondContact O-N 3.28Å; M78-L81 HydrophobicContact CE-CD2 4.41Å; M78-L81 WeakPolarHBondContact O-CB 3.45Å; M78-L81 PolarHBondContact O-N 3.4Å; M78-L81 HydrophobicContact SD-CD2 3.77Å; V79-L81 VanDerWaalsContact C-N 3.35Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 3.4Å; L81-F84 WeakPolarHBondContact O-CB 3.5Å; L81-F84 PolarHBondContact O-N 3.43Å; L81-F84 VanDerWaalsContact O-N 3.13Å; L81-I85 HydrophobicContact CD1-CD1 3.92Å; L81-I85 HydrophobicContact CD1-CG1 4.11Å; L81-I85 HydrophobicContact CG-CD1 3.9Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 3.2Å; L81-I231 HydrophobicContact CD1-CB 4.23Å; L81-I231 HydrophobicContact CD1-CG2 3.83Å; L81-I231 HydrophobicContact CD2-CB 3.87Å; L81-I231 HydrophobicContact CD2-CD1 3.73Å; L81-I231 HydrophobicContact CD2-CG1 4.4Å; L81-I231 HydrophobicContact CD2-CG2 3.74Å; L81-I231 HydrophobicContact CG-CG2 4.47Å; L81-I232 HydrophobicContact CB-CD1 4.23Å; L81-I232 HydrophobicContact CB-CG1 4.01Å; L81-I232 HydrophobicContact CD1-CG1 3.68Å; L81-I232 HydrophobicContact CG-CG1 4.46Å; L81-L235 HydrophobicContact CD1-CD1 3.84Å
82F98.7Very high98Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-65-38.1178.2-67-14000112.5I13 F74 M78 V79 F84 I85 R86 F114 V117 F118I13-F82 HydrophobicContact CB-CZ 4.31Å; I13-F82 HydrophobicContact CD1-CZ 3.94Å; I13-F82 HydrophobicContact CG1-CZ 3.84Å; I13-F82 HydrophobicContact CG2-CE2 3.91Å; I13-F82 HydrophobicContact CG2-CZ 3.66Å; F74-F82 HydrophobicContact CD1-CE2 4.31Å; F74-F82 AromaticContact CE1-CE2 3.97Å; F74-F82 HydrophobicContact CE1-CE2 3.97Å; M78-F82 HydrophobicContact CG-CD1 4.47Å; M78-F82 HydrophobicContact CG-CD2 4.34Å; M78-F82 HydrophobicContact CG-CE1 3.89Å; M78-F82 HydrophobicContact CG-CE2 3.76Å; M78-F82 HydrophobicContact CG-CZ 3.49Å; M78-F82 VanDerWaalsContact CG-CZ 3.49Å; M78-F82 WeakPolarHBondContact O-CG 3.4Å; M78-F82 PolarHBondContact O-N 3.45Å; M78-F82 HydrophobicContact SD-CD1 4.17Å; M78-F82 HydrophobicContact SD-CE1 3.42Å; M78-F82 WeakPolarHBondContact SD-CE1 3.43Å; M78-F82 HydrophobicContact SD-CE2 4.39Å; M78-F82 HydrophobicContact SD-CZ 3.56Å; M78-F82 VanDerWaalsContact SD-CZ 3.56Å; V79-F82 PolarHBondContact O-N 3.02Å; F82-F84 VanDerWaalsContact C-N 3.33Å; F82-I85 HydrophobicContact CD1-CD1 4.34Å; F82-I85 PolarHBondContact O-N 2.64Å; F82-R86 WeakPolarHBondContact O-CB 3.43Å; F82-R86 PolarHBondContact O-N 3.15Å; F82-F114 HydrophobicContact CB-CD1 3.43Å; F82-F114 VanDerWaalsContact CB-CD1 3.43Å; F82-F114 HydrophobicContact CB-CE1 3.48Å; F82-F114 VanDerWaalsContact CB-CE1 3.48Å; F82-F114 HydrophobicContact CB-CG 4.06Å; F82-F114 HydrophobicContact CB-CZ 4.14Å; F82-F114 HydrophobicContact CD2-CB 3.93Å; F82-F114 AromaticContact CD2-CD1 3.91Å; F82-F114 HydrophobicContact CD2-CD1 3.91Å; F82-F114 AromaticContact CD2-CD2 3.75Å; F82-F114 HydrophobicContact CD2-CD2 3.75Å; F82-F114 HydrophobicContact CD2-CE1 4.35Å; F82-F114 HydrophobicContact CD2-CE2 4.22Å; F82-F114 AromaticContact CD2-CG 3.61Å; F82-F114 HydrophobicContact CD2-CG 3.61Å; F82-F114 HydrophobicContact CG-CD1 4.14Å; F82-F114 HydrophobicContact CG-CE1 4.46Å; F82-F114 HydrophobicContact CG-CG 4.29Å; F82-V117 HydrophobicContact CB-CG1 4.5Å; F82-V117 HydrophobicContact CB-CG2 4.3Å; F82-F118 HydrophobicContact CD1-CZ 4.23Å; F82-F118 HydrophobicContact CE1-CE1 4.41Å; F82-F118 HydrophobicContact CE1-CE2 4.24Å; F82-F118 AromaticContact CE1-CZ 3.53Å; F82-F118 HydrophobicContact CE1-CZ 3.53Å; F82-F118 HydrophobicContact CE2-CE2 4.18Å; F82-F118 HydrophobicContact CE2-CZ 4.14Å; F82-F118 AromaticContact CZ-CE2 3.97Å; F82-F118 HydrophobicContact CZ-CE2 3.97Å; F82-F118 AromaticContact CZ-CZ 3.48Å; F82-F118 HydrophobicContact CZ-CZ 3.48Å; F82-F118 VanDerWaalsContact CZ-CZ 3.48Å
83N98.6Very high98.1Very high62 Ų6247.2 Ų47.233%0.33224%0.239SC..Hα-helixtrans-64.8-37.1172.2-76.9-48.4000112.5V79 E80 L81 R86 K87V79-N83 PolarHBondContact O-N 3.3Å; V79-N83 VanDerWaalsContact O-N 3.08Å; V79-N83 PolarHBondContact O-ND2 2.95Å; E80-N83 PolarHBondContact O-N 3.5Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 3.4Å; N83-R86 PolarHBondContact OD1-NH1 3Å; N83-K87 WeakPolarHBondContact O-CG 3.4Å; N83-K87 PolarHBondContact O-N 3.08Å; N83-K87 VanDerWaalsContact O-N 3.16Å
84F98.6Very high98.1Very high28 Ų2843.9 Ų43.912%0.12322%0.217CC..Hα-helixtrans-64.4-47.6173.4172.5-93.9000111.5E80 L81 F82 R86 K87 N88 F92 I232 L235 Q236 I239E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 3.26Å; L81-F84 WeakPolarHBondContact O-CB 3.5Å; L81-F84 PolarHBondContact O-N 3.43Å; L81-F84 VanDerWaalsContact O-N 3.13Å; F82-F84 VanDerWaalsContact C-N 3.33Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.49Å; F84-K87 PolarHBondContact O-N 2.82Å; F84-N88 PolarHBondContact O-N 3.21Å; F84-N88 PolarHBondContact O-ND2 3.18Å; F84-F92 AromaticContact CE1-CE2 3.81Å; F84-F92 HydrophobicContact CE1-CE2 3.81Å; F84-F92 HydrophobicContact CE1-CZ 4.15Å; F84-F92 HydrophobicContact CZ-CE2 4.43Å; F84-I232 HydrophobicContact CB-CD1 4.36Å; F84-I232 HydrophobicContact CB-CG1 4.18Å; F84-I232 HydrophobicContact CD1-CG1 4.44Å; F84-I232 HydrophobicContact CD1-CG2 4.47Å; F84-I232 HydrophobicContact CD2-CG2 4.05Å; F84-I232 HydrophobicContact CE2-CG2 4.33Å; F84-I232 HydrophobicContact CG-CG1 4.3Å; F84-I232 HydrophobicContact CG-CG2 4.12Å; F84-L235 HydrophobicContact CD1-CD1 4.48Å; F84-L235 HydrophobicContact CE1-CB 3.81Å; F84-L235 HydrophobicContact CE1-CD1 4.22Å; F84-L235 HydrophobicContact CZ-CB 4.43Å; F84-Q236 HydrophobicContact CE2-CG 3.61Å; F84-Q236 HydrophobicContact CZ-CG 3.67Å; F84-I239 HydrophobicContact CZ-CD1 3.82Å
85I98.4Very high98.1Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-60-46.6177.1-66.2165.4000110.1L5 F7 L81 F82 K87 N88 K89 F92 C94 V117L5-I85 HydrophobicContact CD1-CD1 3.6Å; L5-I85 HydrophobicContact CD1-CG1 3.76Å; L5-I85 HydrophobicContact CD1-CG2 4.41Å; F7-I85 HydrophobicContact CE2-CD1 4.14Å; F7-I85 HydrophobicContact CZ-CD1 4Å; L81-I85 HydrophobicContact CD1-CD1 3.92Å; L81-I85 HydrophobicContact CD1-CG1 4.11Å; L81-I85 HydrophobicContact CG-CD1 3.9Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 3.2Å; F82-I85 HydrophobicContact CD1-CD1 4.34Å; F82-I85 PolarHBondContact O-N 2.64Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.04Å; I85-N88 CarbonylContact O-C 3.26Å; I85-N88 VanDerWaalsContact O-C 3.24Å; I85-N88 WeakPolarHBondContact O-CA 3.47Å; I85-N88 PolarHBondContact O-N 3.37Å; I85-K89 HydrophobicContact CG2-CD 4.21Å; I85-K89 PolarHBondContact O-N 2.79Å; I85-K89 VanDerWaalsContact O-N 3.11Å; I85-F92 HydrophobicContact CG2-CB 4.31Å; I85-C94 HydrophobicContact CG2-CB 4.38Å; I85-V117 HydrophobicContact CB-CG1 4.1Å; I85-V117 HydrophobicContact CG2-CG1 3.75Å
86R97.9Very high98.1Very high69 Ų6941.8 Ų41.826%0.2621%0.208SC..Hα-helixtrans-53.7-43.7177.2-177.2179.5-70.3119.5-6.4112.5F82 N83 F84 N88 K89 S113 F114 D116 V117F82-R86 WeakPolarHBondContact O-CB 3.43Å; F82-R86 PolarHBondContact O-N 3.15Å; N83-R86 PolarHBondContact OD1-NH1 3Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.49Å; R86-N88 PolarHBondContact O-N 3.32Å; R86-K89 WeakPolarHBondContact O-CG 3.36Å; R86-S113 PolarHBondContact NH2-O 3.01Å; R86-F114 VanDerWaalsContact NH1-CE1 3.27Å; R86-D116 IonicContact CZ-OD1 3.1Å; R86-D116 IonicContact CZ-OD2 2.76Å; R86-D116 IonicContact NE-OD1 2.76Å; R86-D116 IonicContact NE-OD2 2.76Å; R86-D116 PolarHBondContact NE-OD2 3.5Å; R86-D116 IonicContact NH2-OD1 2.75Å; R86-D116 PolarHBondContact NH2-OD1 3.39Å; R86-D116 IonicContact NH2-OD2 2.76Å; R86-D116 PolarHBondContact NH2-OD2 2.97Å; R86-V117 HydrophobicContact CB-CG2 4.29Å
87K97.9Very high98.1Very high170 Ų17038.4 Ų38.474%0.73919%0.186SC*.Hα-helixtrans-68.8-18.9178.7-73174.9-178.4179.90113.5N83 F84 I85N83-K87 WeakPolarHBondContact O-CG 3.4Å; N83-K87 PolarHBondContact O-N 3.08Å; N83-K87 VanDerWaalsContact O-N 3.16Å; F84-K87 PolarHBondContact O-N 2.82Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.04Å
88N97.4Very high98.1Very high38 Ų3837.7 Ų37.720%0.20318%0.179CC..THydrogen-bonded Turntrans-122.632.1-175.4-62.2-84.8000111.6F84 I85 R86 D90 K91 F92F84-N88 PolarHBondContact O-N 3.21Å; F84-N88 PolarHBondContact O-ND2 3.18Å; I85-N88 CarbonylContact O-C 3.26Å; I85-N88 VanDerWaalsContact O-C 3.24Å; I85-N88 WeakPolarHBondContact O-CA 3.47Å; I85-N88 PolarHBondContact O-N 3.37Å; R86-N88 PolarHBondContact O-N 3.32Å; N88-D90 PolarHBondContact O-N 2.92Å; N88-D90 VanDerWaalsContact O-N 3.15Å; N88-K91 HydrophobicContact CB-CB 4.48Å; N88-K91 HydrophobicContact CB-CG 4.49Å; N88-K91 WeakPolarHBondContact O-CA 3.4Å; N88-K91 WeakPolarHBondContact O-CB 3.18Å; N88-K91 PolarHBondContact O-N 2.92Å; N88-F92 HydrophobicContact CB-CD2 3.75Å; N88-F92 HydrophobicContact CB-CE2 3.65Å; N88-F92 VanDerWaalsContact O-CD2 3.3Å; N88-F92 WeakPolarHBondContact O-CD2 3.41Å; N88-F92 PolarHBondContact O-N 2.75Å; N88-F92 VanDerWaalsContact O-N 3.16Å
89K95.7Very high98.1Very high47 Ų4738.6 Ų38.620%0.20418%0.183CC..THydrogen-bonded Turntrans-64.7-13.9-179.2-76.7-70.9-72.8176.70114.1K2 I85 R86 K91 V117 D119K2-K89 WeakPolarHBondContact CE-O 3.4Å; K2-K89 PolarHBondContact NZ-O 3.2Å; I85-K89 HydrophobicContact CG2-CD 4.21Å; I85-K89 PolarHBondContact O-N 2.79Å; I85-K89 VanDerWaalsContact O-N 3.11Å; R86-K89 WeakPolarHBondContact O-CG 3.36Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-V117 PolarHBondContact NZ-O 3.16Å; K89-D119 IonicContact NZ-OD1 3.23Å; K89-D119 PolarHBondContact NZ-OD1 3.39Å; K89-D119 IonicContact NZ-OD2 3.45Å; K89-D119 PolarHBondContact NZ-OD2 3.09Å
90D95.8Very high98.1Very high105 Ų10536 Ų3656%0.56117%0.168SC*.THydrogen-bonded Turntrans-72.9-22.5168.865.9-59.5000112.4K2 N88K2-D90 VanDerWaalsContact CE-O 3.26Å; K2-D90 WeakPolarHBondContact CE-O 3.48Å; K2-D90 WeakPolarHBondContact CG-O 3.38Å; N88-D90 PolarHBondContact O-N 2.92Å; N88-D90 VanDerWaalsContact O-N 3.15Å
91K97.6Very high98.1Very high93 Ų9331 Ų3140%0.40414%0.144SC..THydrogen-bonded Turntrans-98.3-26.2178.7-55.2-59.7-176.3169.80113.7K2 I3 N88 K89 I239K2-K91 CarbonylContact C-O 3.24Å; K2-K91 VanDerWaalsContact CA-O 3.28Å; K2-K91 WeakPolarHBondContact CA-O 3.16Å; K2-K91 WeakPolarHBondContact CB-O 3.39Å; I3-K91 PolarHBondContact N-O 3.24Å; N88-K91 HydrophobicContact CB-CB 4.48Å; N88-K91 HydrophobicContact CB-CG 4.49Å; N88-K91 WeakPolarHBondContact O-CA 3.4Å; N88-K91 WeakPolarHBondContact O-CB 3.18Å; N88-K91 PolarHBondContact O-N 2.92Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K91-I239 HydrophobicContact CB-CG2 4.16Å; K91-I239 HydrophobicContact CG-CG2 4.48Å
92F97.9Very high98.1Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-122.3136.3-172.8-57-64.2000112.8I3 L5 F84 I85 N88 L235 I239I3-F92 HydrophobicContact CB-CD1 3.88Å; I3-F92 HydrophobicContact CB-CE1 4.04Å; I3-F92 HydrophobicContact CD1-CE1 3.98Å; I3-F92 HydrophobicContact CG2-CD1 4.32Å; I3-F92 HydrophobicContact CG2-CE1 4.37Å; I3-F92 WeakPolarHBondContact O-CA 3.49Å; L5-F92 HydrophobicContact CD1-CB 4.18Å; L5-F92 HydrophobicContact CD1-CD1 3.93Å; L5-F92 HydrophobicContact CD1-CG 4.01Å; L5-F92 HydrophobicContact CD2-CD1 4.09Å; L5-F92 HydrophobicContact CD2-CE1 4.37Å; L5-F92 HydrophobicContact CG-CB 4.45Å; L5-F92 HydrophobicContact CG-CD1 4Å; L5-F92 HydrophobicContact CG-CG 4.43Å; F84-F92 AromaticContact CE1-CE2 3.81Å; F84-F92 HydrophobicContact CE1-CE2 3.81Å; F84-F92 HydrophobicContact CE1-CZ 4.15Å; F84-F92 HydrophobicContact CZ-CE2 4.43Å; I85-F92 HydrophobicContact CG2-CB 4.31Å; N88-F92 HydrophobicContact CB-CD2 3.75Å; N88-F92 HydrophobicContact CB-CE2 3.65Å; N88-F92 VanDerWaalsContact O-CD2 3.3Å; N88-F92 WeakPolarHBondContact O-CD2 3.41Å; N88-F92 PolarHBondContact O-N 2.75Å; N88-F92 VanDerWaalsContact O-N 3.16Å; F92-L235 HydrophobicContact CE1-CD2 4.25Å; F92-L235 HydrophobicContact CZ-CB 4.09Å; F92-L235 HydrophobicContact CZ-CD1 4.39Å; F92-I239 HydrophobicContact CE1-CG2 3.8Å; F92-I239 HydrophobicContact CE2-CG2 4.15Å; F92-I239 HydrophobicContact CZ-CD1 4.44Å; F92-I239 HydrophobicContact CZ-CG2 3.34Å
93D98.3Very high98.1Very high16 Ų1634 Ų349%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-104.1144.6151.6-67.3-20.4000108K2 I3 L4 L5 D119 Y171K2-D93 WeakPolarHBondContact CD-OD1 3.33Å; K2-D93 IonicContact NZ-OD1 2.7Å; K2-D93 PolarHBondContact NZ-OD1 2.84Å; I3-D93 PolarHBondContact O-N 2.92Å; L4-D93 HydrophobicContact CD1-CB 4.31Å; L5-D93 PolarHBondContact N-O 3.14Å; D93-D119 VanDerWaalsContact CA-OD2 3.3Å; D93-D119 WeakPolarHBondContact CA-OD2 3.47Å; D93-Y171 HydrophobicContact CB-CE1 3.8Å; D93-Y171 WeakPolarHBondContact OD2-CE1 3.3Å; D93-Y171 PolarHBondContact OD2-OH 3.23Å
94C98.4Very high98.1Very high0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-135.8125.1-169.2-170.10000110.1L5 F7 I85 F118 D119L5-C94 HydrophobicContact CB-CB 4.47Å; L5-C94 CarbonylContact O-C 3.6Å; L5-C94 WeakPolarHBondContact O-CA 3.12Å; F7-C94 WeakPolarHBondContact CE2-SG 3.46Å; I85-C94 HydrophobicContact CG2-CB 4.38Å; C94-F118 HydrophobicContact CB-CD1 4.35Å; C94-F118 CarbonylContact O-C 3.6Å; C94-F118 WeakPolarHBondContact O-CA 3.27Å; C94-F118 WeakPolarHBondContact SG-CD1 3.36Å; C94-F118 WeakPolarHBondContact SG-CE1 3.2Å; C94-D119 PolarHBondContact N-OD2 3.14Å; C94-D119 PolarHBondContact O-N 3.29Å
95I98.9Very high98.1Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-129157178.467172.2000111.7L4 L5 V6 F7 I97 K120 F122 L157 F160L4-I95 HydrophobicContact CD1-CD1 4.37Å; L4-I95 HydrophobicContact CD1-CG1 4.17Å; L4-I95 HydrophobicContact CD1-CG2 4.26Å; L5-I95 PolarHBondContact O-N 3.07Å; V6-I95 HydrophobicContact CB-CG1 4.25Å; V6-I95 HydrophobicContact CG1-CD1 4.19Å; V6-I95 HydrophobicContact CG1-CG1 4.07Å; V6-I95 HydrophobicContact CG2-CD1 4.06Å; V6-I95 HydrophobicContact CG2-CG1 3.99Å; F7-I95 PolarHBondContact N-O 2.92Å; I95-I97 HydrophobicContact CD1-CD1 4.01Å; I95-I97 HydrophobicContact CD1-CG1 4.11Å; I95-K120 CarbonylContact C-O 3.58Å; I95-K120 WeakPolarHBondContact CA-O 3.17Å; I95-K120 WeakPolarHBondContact CB-O 3.33Å; I95-K120 HydrophobicContact CG2-CB 3.88Å; I95-F122 HydrophobicContact CD1-CD2 4.43Å; I95-F122 HydrophobicContact CD1-CE2 4.16Å; I95-L157 HydrophobicContact CD1-CD1 4.46Å; I95-F160 HydrophobicContact CD1-CD1 3.76Å; I95-F160 HydrophobicContact CD1-CE1 4.01Å; I95-F160 HydrophobicContact CD1-CG 4.16Å; I95-F160 HydrophobicContact CG2-CE1 3.97Å; I95-F160 HydrophobicContact CG2-CE2 4.04Å; I95-F160 HydrophobicContact CG2-CZ 3.62Å
96I98.9Very high98.1Very high0 Ų032.6 Ų32.60%016%0.158CC..EExtended strand (participates in β ladder)trans-109.8134.2168-64.2170.4000109.1F7 F9 I13 I105 L109 F118 K120 V121 F122F7-I96 HydrophobicContact CB-CG1 4.37Å; F7-I96 CarbonylContact O-C 3.57Å; F7-I96 WeakPolarHBondContact O-CA 3.3Å; F9-I96 HydrophobicContact CB-CG2 4.28Å; I13-I96 HydrophobicContact CD1-CD1 3.72Å; I13-I96 HydrophobicContact CD1-CG1 3.91Å; I96-I105 HydrophobicContact CD1-CG2 4.05Å; I96-I105 HydrophobicContact CG2-CD1 4.12Å; I96-L109 HydrophobicContact CD1-CD1 3.92Å; I96-F118 HydrophobicContact CD1-CD1 3.77Å; I96-F118 HydrophobicContact CD1-CD2 4.09Å; I96-F118 HydrophobicContact CD1-CE1 3.7Å; I96-F118 HydrophobicContact CD1-CE2 4.05Å; I96-F118 HydrophobicContact CD1-CG 3.94Å; I96-F118 HydrophobicContact CD1-CZ 3.83Å; I96-F118 HydrophobicContact CG1-CD1 3.49Å; I96-F118 VanDerWaalsContact CG1-CD1 3.49Å; I96-F118 HydrophobicContact CG1-CE1 3.47Å; I96-F118 VanDerWaalsContact CG1-CE1 3.47Å; I96-F118 HydrophobicContact CG1-CG 4.12Å; I96-F118 HydrophobicContact CG1-CZ 4.1Å; I96-K120 PolarHBondContact N-O 3.5Å; I96-V121 HydrophobicContact CB-CG1 4.23Å; I96-V121 HydrophobicContact CB-CG2 4.29Å; I96-V121 HydrophobicContact CD1-CG2 4.2Å; I96-V121 HydrophobicContact CG2-CG1 4.36Å; I96-F122 PolarHBondContact O-N 3.31Å
97I98.9Very high98.2Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-126.8108.6166.7-49.5178.1000108.3V6 F7 I95 F122 L151 K153 V156 L157V6-I97 HydrophobicContact CG1-CD1 3.73Å; V6-I97 HydrophobicContact CG1-CG1 3.96Å; F7-I97 PolarHBondContact O-N 3.29Å; I95-I97 HydrophobicContact CD1-CD1 4.01Å; I95-I97 HydrophobicContact CD1-CG1 4.11Å; I97-F122 WeakPolarHBondContact CA-O 3.33Å; I97-F122 HydrophobicContact CG1-CB 4.35Å; I97-F122 HydrophobicContact CG1-CD2 4.06Å; I97-F122 HydrophobicContact CG2-CB 4.4Å; I97-L151 HydrophobicContact CG2-CD2 4.27Å; I97-K153 HydrophobicContact CG2-CB 3.72Å; I97-K153 HydrophobicContact CG2-CD 4.11Å; I97-K153 HydrophobicContact CG2-CG 3.7Å; I97-K153 WeakPolarHBondContact O-CD 3.32Å; I97-K153 WeakPolarHBondContact O-CE 3.44Å; I97-K153 PolarHBondContact O-NZ 2.83Å; I97-K153 VanDerWaalsContact O-NZ 3.14Å; I97-V156 HydrophobicContact CD1-CB 4.3Å; I97-V156 HydrophobicContact CD1-CG1 3.94Å; I97-V156 HydrophobicContact CG1-CG1 4.18Å; I97-V156 HydrophobicContact CG2-CB 4.2Å; I97-V156 HydrophobicContact CG2-CG1 4.11Å; I97-L157 HydrophobicContact CD1-CB 3.95Å; I97-L157 HydrophobicContact CD1-CD1 4.47Å
98S98.6Very high98.2Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-141.7144.5-167.9-178.40000114.5D8 F9 S100 F122 T123 L151D8-S98 PolarHBondContact OD1-OG 3.3Å; F9-S98 VanDerWaalsContact CB-OG 3.28Å; F9-S98 WeakPolarHBondContact CB-OG 3.1Å; S98-S100 VanDerWaalsContact C-N 3.25Å; S98-S100 PolarHBondContact O-N 3.07Å; S98-S100 WeakPolarHBondContact OG-CB 3.46Å; S98-S100 PolarHBondContact OG-N 3.39Å; S98-S100 VanDerWaalsContact OG-N 3.09Å; S98-F122 PolarHBondContact N-O 3.09Å; S98-T123 VanDerWaalsContact O-CA 3.27Å; S98-T123 WeakPolarHBondContact O-CA 3.27Å; S98-T123 WeakPolarHBondContact O-CB 3.34Å; S98-T123 PolarHBondContact O-OG1 3.46Å; S98-L151 VanDerWaalsContact O-CD2 3.23Å; S98-L151 WeakPolarHBondContact O-CD2 3.42Å
99D97.7Very high98.3Very high20 Ų2020.5 Ų20.511%0.10711%0.106CC..EExtended strand (participates in β ladder)trans-78.70.5171.1-71.9-80.5000114.1N124 N150 K153 N182D99-N124 PolarHBondContact O-ND2 3.24Å; D99-N150 PolarHBondContact OD1-ND2 2.76Å; D99-N150 PolarHBondContact OD1-OD1 3.31Å; D99-K153 WeakPolarHBondContact OD2-CE 3.46Å; D99-N182 PolarHBondContact OD2-ND2 3.32Å
100S98.2Very high98.4Very high1 Ų123.7 Ų23.71%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-66.3-153.5167.8-1660000110.7D10 S18 S98 T123 N124D10-S100 VanDerWaalsContact OD2-CB 3.31Å; D10-S100 WeakPolarHBondContact OD2-CB 3.24Å; S18-S100 PolarHBondContact OG-OG 2.9Å; S98-S100 VanDerWaalsContact C-N 3.25Å; S98-S100 PolarHBondContact O-N 3.07Å; S98-S100 WeakPolarHBondContact OG-CB 3.46Å; S98-S100 PolarHBondContact OG-N 3.39Å; S98-S100 VanDerWaalsContact OG-N 3.09Å; S100-T123 PolarHBondContact O-OG1 2.8Å; S100-N124 VanDerWaalsContact O-CB 3.27Å; S100-N124 WeakPolarHBondContact O-CB 3.23Å; S100-N124 PolarHBondContact O-ND2 3.19Å
101N98.7Very high98.5Very high1 Ų121.8 Ų21.81%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-133.9157.7174.771.678.3000113.6V103 F104 I105 N124 A126 V136N101-V103 VanDerWaalsContact C-N 3.26Å; N101-V103 PolarHBondContact O-N 2.96Å; N101-V103 WeakPolarHBondContact OD1-CB 3.19Å; N101-V103 PolarHBondContact OD1-N 2.97Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.4Å; N101-F104 VanDerWaalsContact ND2-CE2 3.29Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.3Å; N101-F104 WeakPolarHBondContact ND2-CG 3.4Å; N101-F104 PolarHBondContact O-N 2.79Å; N101-F104 PolarHBondContact OD1-N 2.96Å; N101-I105 PolarHBondContact O-N 2.88Å; N101-I105 VanDerWaalsContact O-N 3.16Å; N101-N124 CarbonylContact C-O 3.6Å; N101-N124 VanDerWaalsContact CA-O 3.24Å; N101-N124 WeakPolarHBondContact CA-O 3.33Å; N101-A126 HydrophobicContact CB-CB 3.74Å; N101-V136 HydrophobicContact CB-CG2 3.92Å
102S98.8Very high98.5Very high43 Ų4318.8 Ų18.830%0.30111%0.111SC..Hα-helixtrans-60.6-32.4-172.660.70000113.8D106 N124 A126S102-D106 WeakPolarHBondContact O-CB 3.46Å; S102-D106 PolarHBondContact O-N 2.61Å; S102-D106 VanDerWaalsContact O-N 3.12Å; S102-N124 PolarHBondContact N-O 2.87Å; S102-A126 PolarHBondContact OG-N 3.26Å; S102-A126 PolarHBondContact OG-O 3.25Å
103V98.8Very high98.5Very high20 Ų2022.5 Ų22.512%0.12114%0.137CC..Hα-helixtrans-70.4-45.2179.6171.60000110.8N101 D106 W107 A126 F128 L134N101-V103 VanDerWaalsContact C-N 3.26Å; N101-V103 PolarHBondContact O-N 2.96Å; N101-V103 WeakPolarHBondContact OD1-CB 3.19Å; N101-V103 PolarHBondContact OD1-N 2.97Å; V103-D106 PolarHBondContact O-N 2.84Å; V103-W107 HydrophobicContact CG1-CD2 3.79Å; V103-W107 HydrophobicContact CG1-CE3 3.97Å; V103-W107 HydrophobicContact CG1-CH2 3.49Å; V103-W107 VanDerWaalsContact CG1-CH2 3.49Å; V103-W107 HydrophobicContact CG1-CZ2 3.23Å; V103-W107 HydrophobicContact CG1-CZ3 3.83Å; V103-W107 VanDerWaalsContact O-CG 3.25Å; V103-W107 PolarHBondContact O-N 3.05Å; V103-A126 HydrophobicContact CB-CB 4.32Å; V103-A126 HydrophobicContact CG2-CB 3.88Å; V103-A126 VanDerWaalsContact CG2-O 3.3Å; V103-A126 WeakPolarHBondContact CG2-O 3.46Å; V103-F128 HydrophobicContact CG1-CE2 4.11Å; V103-L134 HydrophobicContact CB-CD1 4.18Å; V103-L134 HydrophobicContact CG1-CD1 4.27Å; V103-L134 HydrophobicContact CG2-CD1 3.94Å
104F98.8Very high98.4Very high0 Ų022.3 Ų22.30%014%0.136CC..Hα-helixtrans-66.4-47-178.7-71.42.5000111.8I22 F52 V69 N101 D106 W107 V108 L134I22-F104 HydrophobicContact CB-CZ 4.39Å; I22-F104 HydrophobicContact CD1-CE1 4.47Å; I22-F104 HydrophobicContact CD1-CZ 4Å; I22-F104 HydrophobicContact CG1-CZ 4.08Å; F52-F104 HydrophobicContact CE1-CE2 4.11Å; F52-F104 AromaticContact CE1-CZ 3.7Å; F52-F104 HydrophobicContact CE1-CZ 3.7Å; F52-F104 HydrophobicContact CZ-CE2 4.03Å; F52-F104 AromaticContact CZ-CZ 3.91Å; F52-F104 HydrophobicContact CZ-CZ 3.91Å; V69-F104 HydrophobicContact CG1-CB 4.02Å; V69-F104 HydrophobicContact CG1-CD1 4.45Å; V69-F104 HydrophobicContact CG1-CG 4.13Å; V69-F104 HydrophobicContact CG2-CD1 3.98Å; V69-F104 HydrophobicContact CG2-CD2 4.19Å; V69-F104 HydrophobicContact CG2-CE1 4.01Å; V69-F104 HydrophobicContact CG2-CE2 4.23Å; V69-F104 HydrophobicContact CG2-CG 4.08Å; V69-F104 HydrophobicContact CG2-CZ 4.14Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.4Å; N101-F104 VanDerWaalsContact ND2-CE2 3.29Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.3Å; N101-F104 WeakPolarHBondContact ND2-CG 3.4Å; N101-F104 PolarHBondContact O-N 2.79Å; N101-F104 PolarHBondContact OD1-N 2.96Å; F104-D106 VanDerWaalsContact C-N 3.34Å; F104-D106 PolarHBondContact O-N 3.43Å; F104-W107 HydrophobicContact CD1-CE3 4Å; F104-W107 AromaticContact CD1-CZ3 3.88Å; F104-W107 HydrophobicContact CD1-CZ3 3.88Å; F104-W107 AromaticContact CE1-CZ3 3.95Å; F104-W107 HydrophobicContact CE1-CZ3 3.95Å; F104-W107 PolarHBondContact O-N 3.22Å; F104-V108 WeakPolarHBondContact O-CG2 3.17Å; F104-V108 PolarHBondContact O-N 3.47Å; F104-V108 VanDerWaalsContact O-N 3.08Å; F104-L134 HydrophobicContact CD1-CD2 4.45Å; F104-L134 HydrophobicContact CE1-CD2 3.54Å; F104-L134 HydrophobicContact CZ-CD2 3.86Å
105I98.9Very high98.3Very high2 Ų227.3 Ų27.31%0.0116%0.159CC..Hα-helixtrans-60.9-46178-60.6-177.1000110.3F9 I96 N101 W107 V108 L109 V121 T123F9-I105 HydrophobicContact CB-CD1 4.22Å; F9-I105 HydrophobicContact CD1-CD1 4.33Å; F9-I105 HydrophobicContact CD1-CG1 3.79Å; F9-I105 HydrophobicContact CD2-CD1 4.46Å; F9-I105 HydrophobicContact CD2-CG1 4.11Å; F9-I105 HydrophobicContact CD2-CG2 4.33Å; F9-I105 HydrophobicContact CE1-CG1 3.91Å; F9-I105 HydrophobicContact CE2-CB 4.49Å; F9-I105 HydrophobicContact CE2-CG1 4.23Å; F9-I105 HydrophobicContact CE2-CG2 4.23Å; F9-I105 HydrophobicContact CG-CD1 4.09Å; F9-I105 HydrophobicContact CG-CG1 3.89Å; F9-I105 HydrophobicContact CZ-CB 4.49Å; F9-I105 HydrophobicContact CZ-CG1 4.12Å; I96-I105 HydrophobicContact CD1-CG2 4.05Å; I96-I105 HydrophobicContact CG2-CD1 4.12Å; N101-I105 PolarHBondContact O-N 2.88Å; N101-I105 VanDerWaalsContact O-N 3.16Å; I105-W107 VanDerWaalsContact C-N 3.34Å; I105-W107 PolarHBondContact O-N 3.23Å; I105-V108 PolarHBondContact O-N 3.14Å; I105-L109 HydrophobicContact CG2-CD1 3.71Å; I105-L109 HydrophobicContact CG2-CG 4.11Å; I105-L109 WeakPolarHBondContact O-CB 3.28Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 3.17Å; I105-V121 HydrophobicContact CD1-CG1 4.01Å; I105-V121 HydrophobicContact CG2-CG1 3.98Å; I105-V121 HydrophobicContact CG2-CG2 4.44Å; I105-T123 HydrophobicContact CD1-CG2 3.93Å
106D98.8Very high98.1Very high59 Ų5931 Ų3132%0.31618%0.179SC..Hα-helixtrans-58.6-44.8178.6-176.774.2000112.2S102 V103 F104 K110S102-D106 WeakPolarHBondContact O-CB 3.46Å; S102-D106 PolarHBondContact O-N 2.61Å; S102-D106 VanDerWaalsContact O-N 3.12Å; V103-D106 PolarHBondContact O-N 2.84Å; F104-D106 VanDerWaalsContact C-N 3.34Å; F104-D106 PolarHBondContact O-N 3.43Å; D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.22Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 3.38Å; D106-K110 WeakPolarHBondContact OD1-CE 3.5Å; D106-K110 IonicContact OD1-NZ 2.78Å; D106-K110 PolarHBondContact OD1-NZ 3.21Å; D106-K110 WeakPolarHBondContact OD2-CD 3.46Å; D106-K110 WeakPolarHBondContact OD2-CE 3.23Å; D106-K110 IonicContact OD2-NZ 3.82Å; D106-K110 PolarHBondContact OD2-NZ 2.64Å
107W98.8Very high98.1Very high13 Ų1331 Ų315%0.04918%0.179CC..Hα-helixtrans-62.1-47.6178.1-72.1-11.2000113.1E62 M65 K66 V69 T70 V103 F104 I105 A111 F128E62-W107 HydrophobicContact CG-CH2 3.9Å; E62-W107 HydrophobicContact CG-CZ2 3.5Å; M65-W107 HydrophobicContact CB-CH2 4.05Å; M65-W107 HydrophobicContact CB-CZ3 3.89Å; K66-W107 VanDerWaalsContact CA-CE3 3.48Å; K66-W107 VanDerWaalsContact CA-CZ3 3.49Å; K66-W107 HydrophobicContact CB-CD2 3.83Å; K66-W107 HydrophobicContact CB-CE3 3.79Å; K66-W107 HydrophobicContact CB-CH2 3.97Å; K66-W107 HydrophobicContact CB-CZ2 4.04Å; K66-W107 HydrophobicContact CB-CZ3 3.86Å; K66-W107 HydrophobicContact CD-CD2 4.08Å; K66-W107 HydrophobicContact CD-CG 4.06Å; K66-W107 HydrophobicContact CG-CB 4.34Å; K66-W107 HydrophobicContact CG-CD2 3.67Å; K66-W107 HydrophobicContact CG-CE3 4.03Å; K66-W107 HydrophobicContact CG-CG 3.84Å; V69-W107 HydrophobicContact CB-CE3 4.4Å; T70-W107 HydrophobicContact CG2-CB 4Å; V103-W107 HydrophobicContact CG1-CD2 3.79Å; V103-W107 HydrophobicContact CG1-CE3 3.97Å; V103-W107 HydrophobicContact CG1-CH2 3.49Å; V103-W107 VanDerWaalsContact CG1-CH2 3.49Å; V103-W107 HydrophobicContact CG1-CZ2 3.23Å; V103-W107 HydrophobicContact CG1-CZ3 3.83Å; V103-W107 VanDerWaalsContact O-CG 3.25Å; V103-W107 PolarHBondContact O-N 3.05Å; F104-W107 HydrophobicContact CD1-CE3 4Å; F104-W107 AromaticContact CD1-CZ3 3.88Å; F104-W107 HydrophobicContact CD1-CZ3 3.88Å; F104-W107 AromaticContact CE1-CZ3 3.95Å; F104-W107 HydrophobicContact CE1-CZ3 3.95Å; F104-W107 PolarHBondContact O-N 3.22Å; I105-W107 VanDerWaalsContact C-N 3.34Å; I105-W107 PolarHBondContact O-N 3.23Å; W107-A111 WeakPolarHBondContact O-CB 3.15Å; W107-A111 PolarHBondContact O-N 3.14Å; W107-F128 AromaticContact CH2-CE2 3.85Å; W107-F128 HydrophobicContact CH2-CE2 3.85Å; W107-F128 AromaticContact CH2-CZ 3.86Å; W107-F128 HydrophobicContact CH2-CZ 3.86Å; W107-F128 AromaticContact CZ2-CE2 3.78Å; W107-F128 HydrophobicContact CZ2-CE2 3.78Å; W107-F128 HydrophobicContact CZ2-CZ 4.23Å
108V98.8Very high98.1Very high5 Ų531.8 Ų31.83%0.0318%0.182CC..Hα-helixtrans-63.3-48.4-179.5171.80000110.6F9 I14 V69 F74 F104 I105 K110 A111 A112F9-V108 HydrophobicContact CE2-CB 4.38Å; F9-V108 HydrophobicContact CE2-CG1 4.21Å; F9-V108 HydrophobicContact CZ-CB 3.85Å; F9-V108 HydrophobicContact CZ-CG1 3.97Å; F9-V108 HydrophobicContact CZ-CG2 3.94Å; I14-V108 HydrophobicContact CG2-CG1 3.93Å; V69-V108 HydrophobicContact CG1-CG2 3.68Å; F74-V108 HydrophobicContact CE1-CG1 4.01Å; F74-V108 HydrophobicContact CE2-CG1 4.43Å; F74-V108 HydrophobicContact CZ-CG1 3.65Å; F104-V108 WeakPolarHBondContact O-CG2 3.17Å; F104-V108 PolarHBondContact O-N 3.47Å; F104-V108 VanDerWaalsContact O-N 3.08Å; I105-V108 PolarHBondContact O-N 3.14Å; V108-K110 PolarHBondContact O-N 3.43Å; V108-A111 PolarHBondContact O-N 3.16Å; V108-A112 WeakPolarHBondContact O-CB 3.33Å; V108-A112 PolarHBondContact O-N 3.42Å; V108-A112 VanDerWaalsContact O-N 3.13Å
109L98.6Very high98Very high6 Ų635.5 Ų35.53%0.03120%0.202CC..Hα-helixtrans-66.3-39.3-178.3-66.5-176.6000112.6I96 I105 S113 F114 H115 F118 V121I96-L109 HydrophobicContact CD1-CD1 3.92Å; I105-L109 HydrophobicContact CG2-CD1 3.71Å; I105-L109 HydrophobicContact CG2-CG 4.11Å; I105-L109 WeakPolarHBondContact O-CB 3.28Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 3.17Å; L109-S113 PolarHBondContact O-N 3.05Å; L109-S113 VanDerWaalsContact O-N 3.1Å; L109-F114 HydrophobicContact CD2-CB 4.36Å; L109-F114 PolarHBondContact O-N 3.23Å; L109-H115 HydrophobicContact CB-CB 4.13Å; L109-H115 PolarHBondContact O-N 3.47Å; L109-F118 HydrophobicContact CD1-CD2 3.81Å; L109-F118 HydrophobicContact CD1-CE2 4.19Å; L109-F118 HydrophobicContact CD2-CD2 3.99Å; L109-F118 HydrophobicContact CD2-CE2 3.55Å; L109-F118 HydrophobicContact CD2-CZ 4.49Å; L109-V121 HydrophobicContact CD1-CG2 4.49Å
110K98.4Very high98.1Very high113 Ų11339.8 Ų39.849%0.49122%0.22SC..Hα-helixtrans-70.7-43.6176.4-75.1179.2179.91570112.1D106 V108 A112 S113 H115D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.22Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 3.38Å; D106-K110 WeakPolarHBondContact OD1-CE 3.5Å; D106-K110 IonicContact OD1-NZ 2.78Å; D106-K110 PolarHBondContact OD1-NZ 3.21Å; D106-K110 WeakPolarHBondContact OD2-CD 3.46Å; D106-K110 WeakPolarHBondContact OD2-CE 3.23Å; D106-K110 IonicContact OD2-NZ 3.82Å; D106-K110 PolarHBondContact OD2-NZ 2.64Å; V108-K110 PolarHBondContact O-N 3.43Å; K110-A112 PolarHBondContact O-N 3.39Å; K110-S113 PolarHBondContact O-N 2.95Å; K110-S113 VanDerWaalsContact O-N 3.09Å; K110-H115 HydrophobicContact CG-CB 4.29Å
111A98Very high98.1Very high66 Ų6642.2 Ų42.255%0.54524%0.235SC..Hα-helixtrans-59.3-34.9178.900000112T70 W107 V108T70-A111 HydrophobicContact CG2-CB 3.72Å; W107-A111 WeakPolarHBondContact O-CB 3.15Å; W107-A111 PolarHBondContact O-N 3.14Å; V108-A111 PolarHBondContact O-N 3.16Å
112A97.2Very high98.1Very high29 Ų2943.2 Ų43.224%0.2424%0.239CC..THydrogen-bonded Turntrans-93.92.3178.500000114.5F74 V108 K110 F114F74-A112 HydrophobicContact CE2-CB 3.53Å; F74-A112 HydrophobicContact CZ-CB 3.53Å; V108-A112 WeakPolarHBondContact O-CB 3.33Å; V108-A112 PolarHBondContact O-N 3.42Å; V108-A112 VanDerWaalsContact O-N 3.13Å; K110-A112 PolarHBondContact O-N 3.39Å; A112-F114 VanDerWaalsContact C-N 3.35Å; A112-F114 HydrophobicContact CB-CD2 3.58Å; A112-F114 HydrophobicContact CB-CE2 4.06Å; A112-F114 VanDerWaalsContact O-CD2 3.24Å; A112-F114 WeakPolarHBondContact O-CD2 3.1Å; A112-F114 WeakPolarHBondContact O-CE2 3.21Å; A112-F114 PolarHBondContact O-N 3.32Å
113S97.7Very high98.1Very high78 Ų7841.6 Ų41.655%0.54523%0.227SC..THydrogen-bonded Turntrans54.644.8-176.6-55.80000113.8R86 L109 K110R86-S113 PolarHBondContact NH2-O 3.01Å; L109-S113 PolarHBondContact O-N 3.05Å; L109-S113 VanDerWaalsContact O-N 3.1Å; K110-S113 PolarHBondContact O-N 2.95Å; K110-S113 VanDerWaalsContact O-N 3.09Å
114F97.6Very high98.1Very high12 Ų1240.7 Ų40.75%0.05322%0.221CC..  trans-119.84.9176.6-69.2-62000114.2F74 V79 F82 R86 L109 A112 D116 V117 F118F74-F114 HydrophobicContact CZ-CD2 4.48Å; V79-F114 HydrophobicContact CB-CE2 4.43Å; V79-F114 HydrophobicContact CB-CZ 4.33Å; V79-F114 HydrophobicContact CG1-CE2 4.11Å; V79-F114 HydrophobicContact CG1-CZ 3.76Å; V79-F114 HydrophobicContact CG2-CE2 4.22Å; F82-F114 HydrophobicContact CB-CD1 3.43Å; F82-F114 VanDerWaalsContact CB-CD1 3.43Å; F82-F114 HydrophobicContact CB-CE1 3.48Å; F82-F114 VanDerWaalsContact CB-CE1 3.48Å; F82-F114 HydrophobicContact CB-CG 4.06Å; F82-F114 HydrophobicContact CB-CZ 4.14Å; F82-F114 HydrophobicContact CD2-CB 3.93Å; F82-F114 AromaticContact CD2-CD1 3.91Å; F82-F114 HydrophobicContact CD2-CD1 3.91Å; F82-F114 AromaticContact CD2-CD2 3.75Å; F82-F114 HydrophobicContact CD2-CD2 3.75Å; F82-F114 HydrophobicContact CD2-CE1 4.35Å; F82-F114 HydrophobicContact CD2-CE2 4.22Å; F82-F114 AromaticContact CD2-CG 3.61Å; F82-F114 HydrophobicContact CD2-CG 3.61Å; F82-F114 HydrophobicContact CG-CD1 4.14Å; F82-F114 HydrophobicContact CG-CE1 4.46Å; F82-F114 HydrophobicContact CG-CG 4.29Å; R86-F114 VanDerWaalsContact NH1-CE1 3.27Å; L109-F114 HydrophobicContact CD2-CB 4.36Å; L109-F114 PolarHBondContact O-N 3.23Å; A112-F114 VanDerWaalsContact C-N 3.35Å; A112-F114 HydrophobicContact CB-CD2 3.58Å; A112-F114 HydrophobicContact CB-CE2 4.06Å; A112-F114 VanDerWaalsContact O-CD2 3.24Å; A112-F114 WeakPolarHBondContact O-CD2 3.1Å; A112-F114 WeakPolarHBondContact O-CE2 3.21Å; A112-F114 PolarHBondContact O-N 3.32Å; F114-D116 PolarHBondContact O-N 2.96Å; F114-V117 HydrophobicContact CB-CG2 4.38Å; F114-V117 HydrophobicContact CD1-CG2 3.94Å; F114-V117 WeakPolarHBondContact O-CB 3.24Å; F114-V117 PolarHBondContact O-N 2.96Å; F114-V117 VanDerWaalsContact O-N 3.07Å; F114-F118 WeakPolarHBondContact O-CD2 3.36Å
115H95.5Very high98.1Very high106 Ų10643.3 Ų43.349%0.49124%0.239SC..THydrogen-bonded Turntrans-58.8-27.817768.9-79.3000113.5L109 K110 V117L109-H115 HydrophobicContact CB-CB 4.13Å; L109-H115 PolarHBondContact O-N 3.47Å; K110-H115 HydrophobicContact CG-CB 4.29Å; H115-V117 VanDerWaalsContact C-N 3.31Å
116D95.3Very high98.1Very high77 Ų7744 Ų4441%0.41225%0.245SC..THydrogen-bonded Turntrans-75.8-15.7177.963.9-58.6000113.8R86 F114R86-D116 IonicContact CZ-OD1 3.1Å; R86-D116 IonicContact CZ-OD2 2.76Å; R86-D116 IonicContact NE-OD1 2.76Å; R86-D116 IonicContact NE-OD2 2.76Å; R86-D116 PolarHBondContact NE-OD2 3.5Å; R86-D116 IonicContact NH2-OD1 2.75Å; R86-D116 PolarHBondContact NH2-OD1 3.39Å; R86-D116 IonicContact NH2-OD2 2.76Å; R86-D116 PolarHBondContact NH2-OD2 2.97Å; F114-D116 PolarHBondContact O-N 2.96Å
117V98.1Very high98.1Very high0 Ų043.7 Ų43.70%025%0.25CS..THydrogen-bonded Turntrans-73.4-33.9179.6177.30000111.2F82 I85 R86 K89 F114 H115F82-V117 HydrophobicContact CB-CG1 4.5Å; F82-V117 HydrophobicContact CB-CG2 4.3Å; I85-V117 HydrophobicContact CB-CG1 4.1Å; I85-V117 HydrophobicContact CG2-CG1 3.75Å; R86-V117 HydrophobicContact CB-CG2 4.29Å; K89-V117 PolarHBondContact NZ-O 3.16Å; F114-V117 HydrophobicContact CB-CG2 4.38Å; F114-V117 HydrophobicContact CD1-CG2 3.94Å; F114-V117 WeakPolarHBondContact O-CB 3.24Å; F114-V117 PolarHBondContact O-N 2.96Å; F114-V117 VanDerWaalsContact O-N 3.07Å; H115-V117 VanDerWaalsContact C-N 3.31Å
118F98.4Very high98.1Very high16 Ų1645.6 Ų45.67%0.0726%0.259CS..  trans-96.8124-173.5-61.3-82.4000111.2F7 I13 F82 C94 I96 L109 F114F7-F118 HydrophobicContact CD2-CE1 4.02Å; F7-F118 HydrophobicContact CG-CE1 4.43Å; I13-F118 HydrophobicContact CD1-CE1 4.07Å; I13-F118 HydrophobicContact CD1-CZ 3.69Å; F82-F118 HydrophobicContact CD1-CZ 4.23Å; F82-F118 HydrophobicContact CE1-CE1 4.41Å; F82-F118 HydrophobicContact CE1-CE2 4.24Å; F82-F118 AromaticContact CE1-CZ 3.53Å; F82-F118 HydrophobicContact CE1-CZ 3.53Å; F82-F118 HydrophobicContact CE2-CE2 4.18Å; F82-F118 HydrophobicContact CE2-CZ 4.14Å; F82-F118 AromaticContact CZ-CE2 3.97Å; F82-F118 HydrophobicContact CZ-CE2 3.97Å; F82-F118 AromaticContact CZ-CZ 3.48Å; F82-F118 HydrophobicContact CZ-CZ 3.48Å; F82-F118 VanDerWaalsContact CZ-CZ 3.48Å; C94-F118 HydrophobicContact CB-CD1 4.35Å; C94-F118 CarbonylContact O-C 3.6Å; C94-F118 WeakPolarHBondContact O-CA 3.27Å; C94-F118 WeakPolarHBondContact SG-CD1 3.36Å; C94-F118 WeakPolarHBondContact SG-CE1 3.2Å; I96-F118 HydrophobicContact CD1-CD1 3.77Å; I96-F118 HydrophobicContact CD1-CD2 4.09Å; I96-F118 HydrophobicContact CD1-CE1 3.7Å; I96-F118 HydrophobicContact CD1-CE2 4.05Å; I96-F118 HydrophobicContact CD1-CG 3.94Å; I96-F118 HydrophobicContact CD1-CZ 3.83Å; I96-F118 HydrophobicContact CG1-CD1 3.49Å; I96-F118 VanDerWaalsContact CG1-CD1 3.49Å; I96-F118 HydrophobicContact CG1-CE1 3.47Å; I96-F118 VanDerWaalsContact CG1-CE1 3.47Å; I96-F118 HydrophobicContact CG1-CG 4.12Å; I96-F118 HydrophobicContact CG1-CZ 4.1Å; L109-F118 HydrophobicContact CD1-CD2 3.81Å; L109-F118 HydrophobicContact CD1-CE2 4.19Å; L109-F118 HydrophobicContact CD2-CD2 3.99Å; L109-F118 HydrophobicContact CD2-CE2 3.55Å; L109-F118 HydrophobicContact CD2-CZ 4.49Å; F114-F118 WeakPolarHBondContact O-CD2 3.36Å
119D98.1Very high97.9Very high78 Ų7848.3 Ų48.342%0.41727%0.273SS..SBendtrans-75.5-29.6178.5-54.7-66.2000111.3K89 D93 C94K89-D119 IonicContact NZ-OD1 3.23Å; K89-D119 PolarHBondContact NZ-OD1 3.39Å; K89-D119 IonicContact NZ-OD2 3.45Å; K89-D119 PolarHBondContact NZ-OD2 3.09Å; D93-D119 VanDerWaalsContact CA-OD2 3.3Å; D93-D119 WeakPolarHBondContact CA-OD2 3.47Å; C94-D119 PolarHBondContact N-OD2 3.14Å; C94-D119 PolarHBondContact O-N 3.29Å
120K98.4Very high97.8Very high110 Ų11054.2 Ų54.248%0.47832%0.315SS..EExtended strand (participates in β ladder)trans-153.5146.5176.4-158.762.6177.6179.50113.1I95 I96 F122I95-K120 CarbonylContact C-O 3.58Å; I95-K120 WeakPolarHBondContact CA-O 3.17Å; I95-K120 WeakPolarHBondContact CB-O 3.33Å; I95-K120 HydrophobicContact CG2-CB 3.88Å; I96-K120 PolarHBondContact N-O 3.5Å; K120-F122 HydrophobicContact CB-CD2 4.47Å; K120-F122 HydrophobicContact CB-CE2 3.83Å; K120-F122 HydrophobicContact CB-CZ 4.12Å; K120-F122 HydrophobicContact CD-CZ 4.48Å; K120-F122 HydrophobicContact CG-CD1 4.3Å; K120-F122 HydrophobicContact CG-CD2 4.08Å; K120-F122 HydrophobicContact CG-CE1 3.76Å; K120-F122 HydrophobicContact CG-CE2 3.47Å; K120-F122 VanDerWaalsContact CG-CE2 3.47Å; K120-F122 HydrophobicContact CG-CG 4.49Å; K120-F122 HydrophobicContact CG-CZ 3.32Å
121V98.8Very high97.5Very high53 Ų5352.7 Ų52.732%0.32132%0.319SS..EExtended strand (participates in β ladder)trans-120.5128.4170.8-1800000108.6I96 I105 L109 T123I96-V121 HydrophobicContact CB-CG1 4.23Å; I96-V121 HydrophobicContact CB-CG2 4.29Å; I96-V121 HydrophobicContact CD1-CG2 4.2Å; I96-V121 HydrophobicContact CG2-CG1 4.36Å; I105-V121 HydrophobicContact CD1-CG1 4.01Å; I105-V121 HydrophobicContact CG2-CG1 3.98Å; I105-V121 HydrophobicContact CG2-CG2 4.44Å; L109-V121 HydrophobicContact CD1-CG2 4.49Å; V121-T123 HydrophobicContact CG1-CG2 3.98Å
122F98.9Very high97.3Very high22 Ų2250.8 Ų50.810%0.09631%0.305CS..EExtended strand (participates in β ladder)trans-120.3111.7176.1-58.4-77.3000109I95 I96 I97 S98 K120 Y139 V156 F160I95-F122 HydrophobicContact CD1-CD2 4.43Å; I95-F122 HydrophobicContact CD1-CE2 4.16Å; I96-F122 PolarHBondContact O-N 3.31Å; I97-F122 WeakPolarHBondContact CA-O 3.33Å; I97-F122 HydrophobicContact CG1-CB 4.35Å; I97-F122 HydrophobicContact CG1-CD2 4.06Å; I97-F122 HydrophobicContact CG2-CB 4.4Å; S98-F122 PolarHBondContact N-O 3.09Å; K120-F122 HydrophobicContact CB-CD2 4.47Å; K120-F122 HydrophobicContact CB-CE2 3.83Å; K120-F122 HydrophobicContact CB-CZ 4.12Å; K120-F122 HydrophobicContact CD-CZ 4.48Å; K120-F122 HydrophobicContact CG-CD1 4.3Å; K120-F122 HydrophobicContact CG-CD2 4.08Å; K120-F122 HydrophobicContact CG-CE1 3.76Å; K120-F122 HydrophobicContact CG-CE2 3.47Å; K120-F122 VanDerWaalsContact CG-CE2 3.47Å; K120-F122 HydrophobicContact CG-CG 4.49Å; K120-F122 HydrophobicContact CG-CZ 3.32Å; F122-Y139 HydrophobicContact CB-CE2 4.28Å; F122-Y139 HydrophobicContact CD1-CE2 4.24Å; F122-Y139 AromaticContact CD1-CZ 3.91Å; F122-Y139 WeakPolarHBondContact CD1-OH 3.33Å; F122-V156 HydrophobicContact CB-CG1 3.6Å; F122-V156 HydrophobicContact CD1-CG1 3.84Å; F122-V156 HydrophobicContact CD2-CG1 3.79Å; F122-V156 HydrophobicContact CE1-CG1 4.35Å; F122-V156 HydrophobicContact CE2-CG1 4.33Å; F122-V156 HydrophobicContact CG-CG1 3.48Å; F122-V156 VanDerWaalsContact CG-CG1 3.48Å; F122-F160 HydrophobicContact CE2-CB 4.27Å; F122-F160 AromaticContact CE2-CD2 3.83Å; F122-F160 HydrophobicContact CE2-CD2 3.83Å; F122-F160 HydrophobicContact CE2-CE2 4.45Å; F122-F160 HydrophobicContact CE2-CG 4.15Å; F122-F160 HydrophobicContact CZ-CB 4.2Å; F122-F160 AromaticContact CZ-CD2 3.67Å; F122-F160 HydrophobicContact CZ-CD2 3.67Å; F122-F160 HydrophobicContact CZ-CE2 4.45Å; F122-F160 HydrophobicContact CZ-CG 4.24Å
123T98.8Very high97.3Very high8 Ų850.7 Ų50.75%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-162.7168.3-173.4-167.70000110.6S98 S100 I105 V121 P125 Y139S98-T123 VanDerWaalsContact O-CA 3.27Å; S98-T123 WeakPolarHBondContact O-CA 3.27Å; S98-T123 WeakPolarHBondContact O-CB 3.34Å; S98-T123 PolarHBondContact O-OG1 3.46Å; S100-T123 PolarHBondContact O-OG1 2.8Å; I105-T123 HydrophobicContact CD1-CG2 3.93Å; V121-T123 HydrophobicContact CG1-CG2 3.98Å; T123-P125 WeakPolarHBondContact O-CD 3.23Å; T123-Y139 WeakPolarHBondContact O-CD2 3.34Å
124N98.8Very high97.4Very high1 Ų147.1 Ų47.11%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-57.3120.6179-60.7-55.1000110.7D99 S100 N101 S102 A126 V136 E137 Y139 N150D99-N124 PolarHBondContact O-ND2 3.24Å; S100-N124 VanDerWaalsContact O-CB 3.27Å; S100-N124 WeakPolarHBondContact O-CB 3.23Å; S100-N124 PolarHBondContact O-ND2 3.19Å; N101-N124 CarbonylContact C-O 3.6Å; N101-N124 VanDerWaalsContact CA-O 3.24Å; N101-N124 WeakPolarHBondContact CA-O 3.33Å; S102-N124 PolarHBondContact N-O 2.87Å; N124-A126 PolarHBondContact O-N 3.24Å; N124-V136 HydrophobicContact CB-CG2 3.68Å; N124-E137 WeakPolarHBondContact CA-O 3.49Å; N124-E137 WeakPolarHBondContact CB-O 3.28Å; N124-Y139 PolarHBondContact OD1-N 2.77Å; N124-N150 PolarHBondContact ND2-ND2 3.19Å; N124-N150 VanDerWaalsContact ND2-ND2 3.11Å; N124-N150 WeakPolarHBondContact OD1-CB 3.48Å; N124-N150 PolarHBondContact OD1-ND2 2.98Å
125P98.6Very high97.4Very high56 Ų5649.1 Ų49.136%0.36429%0.288SS..  trans-59.4134.1176.9-24.233.6000110.6T123 V136 E137T123-P125 WeakPolarHBondContact O-CD 3.23Å; P125-V136 CarbonylContact O-C 3.52Å; P125-V136 WeakPolarHBondContact O-CA 3.47Å; P125-E137 WeakPolarHBondContact CD-O 3.5Å; P125-E137 PolarHBondContact O-N 2.98Å
126A98.6Very high97.5Very high16 Ų1645.2 Ų45.213%0.13227%0.271CS..EExtended strand (participates in β ladder)trans-136.9150.1173.200000111.7N101 S102 V103 N124 L134 T135 V136N101-A126 HydrophobicContact CB-CB 3.74Å; S102-A126 PolarHBondContact OG-N 3.26Å; S102-A126 PolarHBondContact OG-O 3.25Å; V103-A126 HydrophobicContact CB-CB 4.32Å; V103-A126 HydrophobicContact CG2-CB 3.88Å; V103-A126 VanDerWaalsContact CG2-O 3.3Å; V103-A126 WeakPolarHBondContact CG2-O 3.46Å; N124-A126 PolarHBondContact O-N 3.24Å; A126-L134 HydrophobicContact CB-CD1 4.02Å; A126-T135 CarbonylContact C-O 3.52Å; A126-T135 WeakPolarHBondContact CA-O 3.39Å; A126-T135 WeakPolarHBondContact CB-O 3.26Å; A126-V136 HydrophobicContact CB-CB 4.33Å; A126-V136 HydrophobicContact CB-CG2 4.37Å
127A98.4Very high97.7Very high52 Ų5247.7 Ų47.743%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-156.1158.617900000110.5T135A127-T135 PolarHBondContact N-O 2.9Å; A127-T135 VanDerWaalsContact N-O 3.07Å; A127-T135 PolarHBondContact O-N 3.47Å; A127-T135 PolarHBondContact O-OG1 3.19Å; A127-T135 VanDerWaalsContact O-OG1 3.07Å
128F98.2Very high97.7Very high53 Ų5350.3 Ų50.323%0.23229%0.294CS..EExtended strand (participates in β ladder)trans-84.8127.8168.3-74.3-91.1000109.7E62 M65 V103 W107 G132 H133 L134E62-F128 HydrophobicContact CB-CD1 4.35Å; E62-F128 HydrophobicContact CB-CE1 3.79Å; E62-F128 HydrophobicContact CB-CE2 3.99Å; E62-F128 HydrophobicContact CB-CZ 3.61Å; E62-F128 HydrophobicContact CG-CD2 4.19Å; E62-F128 HydrophobicContact CG-CE1 4.28Å; E62-F128 HydrophobicContact CG-CE2 3.54Å; E62-F128 HydrophobicContact CG-CZ 3.61Å; M65-F128 HydrophobicContact SD-CE1 4.34Å; M65-F128 HydrophobicContact SD-CZ 4.23Å; V103-F128 HydrophobicContact CG1-CE2 4.11Å; W107-F128 AromaticContact CH2-CE2 3.85Å; W107-F128 HydrophobicContact CH2-CE2 3.85Å; W107-F128 AromaticContact CH2-CZ 3.86Å; W107-F128 HydrophobicContact CH2-CZ 3.86Å; W107-F128 AromaticContact CZ2-CE2 3.78Å; W107-F128 HydrophobicContact CZ2-CE2 3.78Å; W107-F128 HydrophobicContact CZ2-CZ 4.23Å; F128-G132 WeakPolarHBondContact CD1-O 3.28Å; F128-H133 WeakPolarHBondContact CA-O 3.27Å; F128-L134 HydrophobicContact CD1-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.16Å; F128-L134 HydrophobicContact CE1-CB 3.85Å; F128-L134 HydrophobicContact CE2-CD1 3.84Å; F128-L134 HydrophobicContact CZ-CB 3.99Å; F128-L134 HydrophobicContact CZ-CD1 4.04Å; F128-L134 HydrophobicContact CZ-CG 4.47Å
129N96.1Very high97.7Very high62 Ų6252.8 Ų52.833%0.33230%0.304SS..  trans-79.3177.9175.770.518.7000112S131 G132 H133 T135N129-S131 PolarHBondContact O-N 3.45Å; N129-S131 VanDerWaalsContact O-N 3.14Å; N129-S131 WeakPolarHBondContact OD1-CA 3.28Å; N129-S131 WeakPolarHBondContact OD1-CB 3.49Å; N129-S131 PolarHBondContact OD1-N 2.86Å; N129-G132 WeakPolarHBondContact O-CA 3.37Å; N129-G132 PolarHBondContact O-N 2.93Å; N129-G132 PolarHBondContact OD1-N 2.79Å; N129-H133 PolarHBondContact N-O 2.76Å; N129-H133 PolarHBondContact OD1-N 3.1Å; N129-H133 PolarHBondContact OD1-O 3.16Å; N129-T135 HydrophobicContact CB-CG2 4.23Å
130S95.1Very high97.6Very high131 Ų13150.6 Ų50.692%0.91629%0.291SS*.THydrogen-bonded Turntrans-60.4-22.1179.752.50000114.5G132S130-G132 VanDerWaalsContact C-N 3.29Å
131S93.5Very high97.5Very high80 Ų8052.1 Ų52.156%0.55931%0.31SS*.THydrogen-bonded Turntrans-86.42174.2-55.50000113N129 H133N129-S131 PolarHBondContact O-N 3.45Å; N129-S131 VanDerWaalsContact O-N 3.14Å; N129-S131 WeakPolarHBondContact OD1-CA 3.28Å; N129-S131 WeakPolarHBondContact OD1-CB 3.49Å; N129-S131 PolarHBondContact OD1-N 2.86Å; S131-H133 VanDerWaalsContact C-N 3.31Å; S131-H133 PolarHBondContact O-CD2 3.41Å; S131-H133 PolarHBondContact O-N 2.69Å
132G94.3Very high97.4Very high26 Ų2650.7 Ų50.727%0.26830%0.3SS..SBendtrans73.220.3-177.600000113.8F128 N129 S130F128-G132 WeakPolarHBondContact CD1-O 3.28Å; N129-G132 WeakPolarHBondContact O-CA 3.37Å; N129-G132 PolarHBondContact O-N 2.93Å; N129-G132 PolarHBondContact OD1-N 2.79Å; S130-G132 VanDerWaalsContact C-N 3.29Å
133H96.8Very high97.2Very high28 Ų2855.1 Ų55.113%0.1333%0.333CS..  trans-95.7136.4175.6-60.2179.9000109.8D57 F128 N129 S131 T135D57-H133 IonicContact OD1-CE1 2.77Å; D57-H133 PolarHBondContact OD1-CE1 3.3Å; F128-H133 WeakPolarHBondContact CA-O 3.27Å; N129-H133 PolarHBondContact N-O 2.76Å; N129-H133 PolarHBondContact OD1-N 3.1Å; N129-H133 PolarHBondContact OD1-O 3.16Å; S131-H133 VanDerWaalsContact C-N 3.31Å; S131-H133 PolarHBondContact O-CD2 3.41Å; S131-H133 PolarHBondContact O-N 2.69Å; H133-T135 PolarHBondContact O-N 3.16Å
134L98.5Very high97Very high2 Ų256.2 Ų56.21%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-68.1127.4170.4-175.764.1000109F52 M65 V103 F104 A126 F128F52-L134 HydrophobicContact CB-CB 4.17Å; F52-L134 WeakPolarHBondContact CB-O 3.33Å; F52-L134 HydrophobicContact CD1-CD2 4.05Å; F52-L134 HydrophobicContact CD2-CD2 4.13Å; F52-L134 HydrophobicContact CD2-CG 4.19Å; F52-L134 HydrophobicContact CE1-CD2 4.08Å; F52-L134 HydrophobicContact CE2-CD2 4.15Å; F52-L134 HydrophobicContact CG-CB 4.29Å; F52-L134 HydrophobicContact CG-CD2 4.1Å; F52-L134 HydrophobicContact CG-CG 4.29Å; F52-L134 HydrophobicContact CZ-CD2 4.13Å; M65-L134 HydrophobicContact SD-CB 4.3Å; M65-L134 HydrophobicContact SD-CD2 4.31Å; V103-L134 HydrophobicContact CB-CD1 4.18Å; V103-L134 HydrophobicContact CG1-CD1 4.27Å; V103-L134 HydrophobicContact CG2-CD1 3.94Å; F104-L134 HydrophobicContact CD1-CD2 4.45Å; F104-L134 HydrophobicContact CE1-CD2 3.54Å; F104-L134 HydrophobicContact CZ-CD2 3.86Å; A126-L134 HydrophobicContact CB-CD1 4.02Å; F128-L134 HydrophobicContact CD1-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.16Å; F128-L134 HydrophobicContact CE1-CB 3.85Å; F128-L134 HydrophobicContact CE2-CD1 3.84Å; F128-L134 HydrophobicContact CZ-CB 3.99Å; F128-L134 HydrophobicContact CZ-CD1 4.04Å; F128-L134 HydrophobicContact CZ-CG 4.47Å
135T98.3Very high96.7Very high54 Ų5463.8 Ų63.833%0.33138%0.382SS..EExtended strand (participates in β ladder)trans-114.5146.9171.756.20000109A126 A127 N129 H133A126-T135 CarbonylContact C-O 3.52Å; A126-T135 WeakPolarHBondContact CA-O 3.39Å; A126-T135 WeakPolarHBondContact CB-O 3.26Å; A127-T135 PolarHBondContact N-O 2.9Å; A127-T135 VanDerWaalsContact N-O 3.07Å; A127-T135 PolarHBondContact O-N 3.47Å; A127-T135 PolarHBondContact O-OG1 3.19Å; A127-T135 VanDerWaalsContact O-OG1 3.07Å; N129-T135 HydrophobicContact CB-CG2 4.23Å; H133-T135 PolarHBondContact O-N 3.16Å
136V98.6Very high96.3Very high24 Ų2470.9 Ų70.915%0.14540%0.401CS..EExtended strand (participates in β ladder)trans-131.8141.917764.70000109.2T45 F52 N101 N124 P125 A126T45-V136 HydrophobicContact CG2-CB 4.47Å; T45-V136 HydrophobicContact CG2-CG1 3.9Å; T45-V136 HydrophobicContact CG2-CG2 3.88Å; F52-V136 HydrophobicContact CD2-CB 4.36Å; F52-V136 HydrophobicContact CD2-CG1 3.93Å; F52-V136 HydrophobicContact CE2-CB 4.05Å; F52-V136 HydrophobicContact CE2-CG1 3.74Å; N101-V136 HydrophobicContact CB-CG2 3.92Å; N124-V136 HydrophobicContact CB-CG2 3.68Å; P125-V136 CarbonylContact O-C 3.52Å; P125-V136 WeakPolarHBondContact O-CA 3.47Å; A126-V136 HydrophobicContact CB-CB 4.33Å; A126-V136 HydrophobicContact CB-CG2 4.37Å
137E98.2Very high96.1Very high130 Ų13071 Ų7161%0.60740%0.401SS*.  trans-123.5155.1179.8-64.6179.8-173.300110.7N124 P125 Y139N124-E137 WeakPolarHBondContact CA-O 3.49Å; N124-E137 WeakPolarHBondContact CB-O 3.28Å; P125-E137 WeakPolarHBondContact CD-O 3.5Å; P125-E137 PolarHBondContact O-N 2.98Å; E137-Y139 PolarHBondContact O-N 2.91Å
138N98.1Very high96Very high54 Ų5470.1 Ų70.129%0.28939%0.391SS..  trans-63.3131.5173.4-70.6-10.1000109.8T45 E46 H140 N150T45-N138 WeakPolarHBondContact CB-OD1 3.5Å; T45-N138 VanDerWaalsContact CG2-OD1 3.32Å; T45-N138 WeakPolarHBondContact CG2-OD1 3.38Å; E46-N138 PolarHBondContact OE1-ND2 2.88Å; N138-H140 VanDerWaalsContact C-N 3.3Å; N138-H140 PolarHBondContact O-N 3.17Å; N138-N150 HydrophobicContact CB-CB 4.03Å; N138-N150 WeakPolarHBondContact OD1-CB 3.47Å
139Y98.3Very high95.8Very high69 Ų6972.8 Ų72.827%0.27140%0.402SS..SBendtrans-55.4-44.4180175.4-98000112.9F122 T123 N124 E137 N150 L151 V156F122-Y139 HydrophobicContact CB-CE2 4.28Å; F122-Y139 HydrophobicContact CD1-CE2 4.24Å; F122-Y139 AromaticContact CD1-CZ 3.91Å; F122-Y139 WeakPolarHBondContact CD1-OH 3.33Å; T123-Y139 WeakPolarHBondContact O-CD2 3.34Å; N124-Y139 PolarHBondContact OD1-N 2.77Å; E137-Y139 PolarHBondContact O-N 2.91Å; Y139-N150 PolarHBondContact N-O 2.89Å; Y139-L151 HydrophobicContact CD1-CD1 3.42Å; Y139-L151 VanDerWaalsContact CD1-CD1 3.42Å; Y139-L151 HydrophobicContact CE1-CD1 4.2Å; Y139-L151 HydrophobicContact CG-CD1 3.83Å; Y139-V156 HydrophobicContact CD1-CG2 3.93Å; Y139-V156 HydrophobicContact CE1-CG2 3.45Å; Y139-V156 VanDerWaalsContact CE1-CG2 3.45Å
140H97.3Very high95.9Very high31 Ų3169.9 Ų69.914%0.14439%0.387CS..  trans-154.6173.917667.7-179.9000111.9N138 H142 N150 C152N138-H140 VanDerWaalsContact C-N 3.3Å; N138-H140 PolarHBondContact O-N 3.17Å; H140-H142 AromaticContact CD2-CD2 3.52Å; H140-H142 AromaticContact NE2-CD2 3.23Å; H140-H142 PolarHBondContact NE2-CD2 2.8Å; H140-H142 AromaticContact NE2-CG 3.84Å; H140-N150 PolarHBondContact N-O 3.49Å; H140-C152 PolarHBondContact NE2-N 3.44Å
141T96.1Very high96.1Very high143 Ų14363.7 Ų63.788%0.87734%0.343SS*.  trans-101.2138.2166.1-59.90000109.3
142H95.9Very high96.3Very high22 Ų2259.9 Ų59.910%0.10232%0.317CS..  trans-147160.6179.86477.2000113.2H140 C144 P148 C152H140-H142 AromaticContact CD2-CD2 3.52Å; H140-H142 AromaticContact NE2-CD2 3.23Å; H140-H142 PolarHBondContact NE2-CD2 2.8Å; H140-H142 AromaticContact NE2-CG 3.84Å; H142-C144 WeakPolarHBondContact ND1-CB 3.49Å; H142-C144 PolarHBondContact ND1-N 2.78Å; H142-P148 PolarHBondContact CE1-O 2.87Å; H142-P148 PolarHBondContact NE2-O 3.37Å; H142-C152 HydrophobicContact CB-CB 4.27Å
143S94.7Very high96.5Very high115 Ų11558.7 Ų58.780%0.80430%0.304SS*.  trans-95.86.7179.2-52.60000114.3N145S143-N145 PolarHBondContact O-N 3.24Å; S143-N145 PolarHBondContact O-OD1 3.19Å
144C94.4Very high96.6Very high32 Ų3260.1 Ų60.122%0.21631%0.31CS..  trans-63.8124.3175.5-174.30000111.4H142 R146 C147 C152H142-C144 WeakPolarHBondContact ND1-CB 3.49Å; H142-C144 PolarHBondContact ND1-N 2.78Å; C144-R146 VanDerWaalsContact C-N 3.33Å; C144-C147 HydrophobicContact CB-CB 4.34Å; C144-C147 VanDerWaalsContact SG-SG 3.66Å; C144-C152 HydrophobicContact CB-CB 4.25Å
145N92.3Very high96.6Very high160 Ų16062.1 Ų62.186%0.85632%0.322SS*.SBendtrans-84.7-4.4-179.5-64-32000114S143S143-N145 PolarHBondContact O-N 3.24Å; S143-N145 PolarHBondContact O-OD1 3.19Å
146R90.7Very high96.6Very high205 Ų20559.6 Ų59.677%0.77431%0.307SS*.SBendtrans-102.8-29.4-177.8-63.2-177.7-178.4177-0.2113.2C144C144-R146 VanDerWaalsContact C-N 3.33Å
147C95.4Very high96.6Very high18 Ų1858.5 Ų58.512%0.12230%0.3CS..SBendtrans-87.4155.4-175.4-65.50000111.6C144 C152 C185C144-C147 HydrophobicContact CB-CB 4.34Å; C144-C147 VanDerWaalsContact SG-SG 3.66Å; C147-C152 HydrophobicContact CB-CB 4.09Å; C147-C185 VanDerWaalsContact SG-CB 3.54Å
148P94.7Very high96.6Very high34 Ų3454.6 Ų54.622%0.22128%0.283CS..  trans-59.5163.1167.231-37.5000110.5H142 N150H142-P148 PolarHBondContact CE1-O 2.87Å; H142-P148 PolarHBondContact NE2-O 3.37Å; P148-N150 VanDerWaalsContact CB-OD1 3.3Å; P148-N150 WeakPolarHBondContact CB-OD1 3.15Å; P148-N150 WeakPolarHBondContact CG-OD1 3.43Å; P148-N150 PolarHBondContact O-N 2.98Å
149K95.7Very high96.6Very high108 Ų10857.1 Ų57.147%0.4729%0.293SS..SBendtrans-70.1-20.2-170.6-70.1-63-176.2-1770114.6G42 F43G42-K149 PolarHBondContact O-N 3.5Å; G42-K149 VanDerWaalsContact O-N 3.1Å; F43-K149 HydrophobicContact CD1-CG 4.48Å; F43-K149 HydrophobicContact CE1-CG 4Å; F43-K149 HydrophobicContact CZ-CG 4.14Å
150N97.6Very high96.6Very high1 Ų154.7 Ų54.71%0.00528%0.284CS..SBendtrans-80.2-37-171.566.7-68.7000113.6T45 D99 N124 N138 Y139 H140 P148T45-N150 HydrophobicContact CG2-CB 4.45Å; T45-N150 WeakPolarHBondContact OG1-CB 3.27Å; T45-N150 VanDerWaalsContact OG1-CG 3.24Å; T45-N150 PolarHBondContact OG1-ND2 2.59Å; D99-N150 PolarHBondContact OD1-ND2 2.76Å; D99-N150 PolarHBondContact OD1-OD1 3.31Å; N124-N150 PolarHBondContact ND2-ND2 3.19Å; N124-N150 VanDerWaalsContact ND2-ND2 3.11Å; N124-N150 WeakPolarHBondContact OD1-CB 3.48Å; N124-N150 PolarHBondContact OD1-ND2 2.98Å; N138-N150 HydrophobicContact CB-CB 4.03Å; N138-N150 WeakPolarHBondContact OD1-CB 3.47Å; Y139-N150 PolarHBondContact N-O 2.89Å; H140-N150 PolarHBondContact N-O 3.49Å; P148-N150 VanDerWaalsContact CB-OD1 3.3Å; P148-N150 WeakPolarHBondContact CB-OD1 3.15Å; P148-N150 WeakPolarHBondContact CG-OD1 3.43Å; P148-N150 PolarHBondContact O-N 2.98Å
151L98.1Very high96.6Very high1 Ų154.5 Ų54.51%0.00529%0.285CS..  trans-154.8135.7-170.2178.462.3000110.8I97 S98 Y139 K153 V156I97-L151 HydrophobicContact CG2-CD2 4.27Å; S98-L151 VanDerWaalsContact O-CD2 3.23Å; S98-L151 WeakPolarHBondContact O-CD2 3.42Å; Y139-L151 HydrophobicContact CD1-CD1 3.42Å; Y139-L151 VanDerWaalsContact CD1-CD1 3.42Å; Y139-L151 HydrophobicContact CE1-CD1 4.2Å; Y139-L151 HydrophobicContact CG-CD1 3.83Å; L151-K153 HydrophobicContact CD2-CG 4.15Å; L151-K153 HydrophobicContact CG-CG 4.25Å; L151-V156 HydrophobicContact CD1-CG2 3.57Å
152C98.3Very high96.7Very high1 Ų151.4 Ų51.41%0.00726%0.263CS..  trans-118.899.1169.2178.40000107.2H140 H142 C144 C147 K154 V155 V156H140-C152 PolarHBondContact NE2-N 3.44Å; H142-C152 HydrophobicContact CB-CB 4.27Å; C144-C152 HydrophobicContact CB-CB 4.25Å; C147-C152 HydrophobicContact CB-CB 4.09Å; C152-K154 PolarHBondContact O-N 3.04Å; C152-K154 VanDerWaalsContact O-N 3.17Å; C152-V155 HydrophobicContact CB-CB 4.23Å; C152-V155 HydrophobicContact CB-CG2 4.11Å; C152-V155 PolarHBondContact O-N 3.1Å; C152-V156 PolarHBondContact O-N 3.42Å
153K98.6Very high96.9Very high1 Ų156.1 Ų56.10%0.00428%0.283CS..Hα-helixtrans-58.6-31.7-174.6-56.5-166-178.4-1740113D8 I97 D99 L151 V156 L157 Y176 N182 D183 P186D8-K153 IonicContact OD1-NZ 3.97Å; D8-K153 PolarHBondContact OD1-NZ 3.03Å; D8-K153 IonicContact OD2-NZ 2.64Å; D8-K153 PolarHBondContact OD2-NZ 3.47Å; D8-K153 VanDerWaalsContact OD2-NZ 3.1Å; I97-K153 HydrophobicContact CG2-CB 3.72Å; I97-K153 HydrophobicContact CG2-CD 4.11Å; I97-K153 HydrophobicContact CG2-CG 3.7Å; I97-K153 WeakPolarHBondContact O-CD 3.32Å; I97-K153 WeakPolarHBondContact O-CE 3.44Å; I97-K153 PolarHBondContact O-NZ 2.83Å; I97-K153 VanDerWaalsContact O-NZ 3.14Å; D99-K153 WeakPolarHBondContact OD2-CE 3.46Å; L151-K153 HydrophobicContact CD2-CG 4.15Å; L151-K153 HydrophobicContact CG-CG 4.25Å; K153-V156 PolarHBondContact O-N 2.84Å; K153-L157 WeakPolarHBondContact O-CB 3.45Å; K153-L157 PolarHBondContact O-N 2.87Å; K153-Y176 VanDerWaalsContact CD-OH 3.23Å; K153-Y176 WeakPolarHBondContact CD-OH 3.33Å; K153-N182 VanDerWaalsContact CE-ND2 3.33Å; K153-N182 WeakPolarHBondContact CE-ND2 3.34Å; K153-N182 PolarHBondContact NZ-ND2 2.89Å; K153-D183 IonicContact NZ-OD1 3.19Å; K153-D183 PolarHBondContact NZ-OD1 2.97Å; K153-P186 HydrophobicContact CB-CB 4.13Å; K153-P186 HydrophobicContact CB-CG 3.71Å
154K98.2Very high97Very high57 Ų5752.1 Ų52.125%0.24825%0.252CS..Hα-helixtrans-60.3-48.1174.3-178.2174.7-176.9157.20112.3C152 V156 L157 I158 C185 P186 T188 F189C152-K154 PolarHBondContact O-N 3.04Å; C152-K154 VanDerWaalsContact O-N 3.17Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 3.42Å; K154-L157 PolarHBondContact O-N 3.11Å; K154-I158 HydrophobicContact CD-CD1 4.43Å; K154-I158 HydrophobicContact CG-CD1 3.83Å; K154-I158 HydrophobicContact CG-CG1 4.47Å; K154-I158 VanDerWaalsContact O-CG1 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.18Å; K154-I158 PolarHBondContact O-N 3.23Å; K154-C185 HydrophobicContact CB-CB 4.34Å; K154-C185 VanDerWaalsContact CB-SG 3.53Å; K154-P186 HydrophobicContact CB-CB 4.41Å; K154-T188 PolarHBondContact NZ-O 2.99Å; K154-T188 PolarHBondContact NZ-OG1 3.3Å; K154-F189 HydrophobicContact CG-CB 4.19Å
155V98.3Very high97.1Very high45 Ų4555.2 Ų55.227%0.27327%0.265SS..Hα-helixtrans-62.8-44.8-178.3168.30000109.6C152 L157 I158 E159C152-V155 HydrophobicContact CB-CB 4.23Å; C152-V155 HydrophobicContact CB-CG2 4.11Å; C152-V155 PolarHBondContact O-N 3.1Å; V155-L157 PolarHBondContact O-N 2.77Å; V155-I158 PolarHBondContact O-N 2.75Å; V155-E159 HydrophobicContact CG1-CG 4.44Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.17Å; V155-E159 WeakPolarHBondContact O-CG 3.43Å; V155-E159 PolarHBondContact O-N 3.3Å
156V98.7Very high97.4Very high1 Ų155.5 Ų55.51%0.00626%0.262CS..Hα-helixtrans-60.2-44.1176.2178.10000112.1I97 F122 Y139 L151 C152 K153 K154 E159 F160I97-V156 HydrophobicContact CD1-CB 4.3Å; I97-V156 HydrophobicContact CD1-CG1 3.94Å; I97-V156 HydrophobicContact CG1-CG1 4.18Å; I97-V156 HydrophobicContact CG2-CB 4.2Å; I97-V156 HydrophobicContact CG2-CG1 4.11Å; F122-V156 HydrophobicContact CB-CG1 3.6Å; F122-V156 HydrophobicContact CD1-CG1 3.84Å; F122-V156 HydrophobicContact CD2-CG1 3.79Å; F122-V156 HydrophobicContact CE1-CG1 4.35Å; F122-V156 HydrophobicContact CE2-CG1 4.33Å; F122-V156 HydrophobicContact CG-CG1 3.48Å; F122-V156 VanDerWaalsContact CG-CG1 3.48Å; Y139-V156 HydrophobicContact CD1-CG2 3.93Å; Y139-V156 HydrophobicContact CE1-CG2 3.45Å; Y139-V156 VanDerWaalsContact CE1-CG2 3.45Å; L151-V156 HydrophobicContact CD1-CG2 3.57Å; C152-V156 PolarHBondContact O-N 3.42Å; K153-V156 PolarHBondContact O-N 2.84Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 3.42Å; V156-E159 PolarHBondContact O-N 2.9Å; V156-F160 WeakPolarHBondContact O-CB 3.01Å; V156-F160 PolarHBondContact O-N 3.33Å
157L98.7Very high97.7Very high0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-63-43.8178.5-179.355.8000112L4 V6 I95 I97 K153 K154 V155 F160 V161 Y176 P186 F189L4-L157 HydrophobicContact CD2-CD1 4.08Å; V6-L157 HydrophobicContact CG2-CD1 3.75Å; I95-L157 HydrophobicContact CD1-CD1 4.46Å; I97-L157 HydrophobicContact CD1-CB 3.95Å; I97-L157 HydrophobicContact CD1-CD1 4.47Å; K153-L157 WeakPolarHBondContact O-CB 3.45Å; K153-L157 PolarHBondContact O-N 2.87Å; K154-L157 PolarHBondContact O-N 3.11Å; V155-L157 PolarHBondContact O-N 2.77Å; L157-F160 PolarHBondContact O-N 3.47Å; L157-V161 HydrophobicContact CD1-CG2 4.1Å; L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.44Å; L157-Y176 HydrophobicContact CD2-CD2 4.22Å; L157-P186 HydrophobicContact CD2-CB 4.24Å; L157-F189 HydrophobicContact CD2-CD1 3.82Å; L157-F189 HydrophobicContact CG-CD1 3.86Å; L157-F189 HydrophobicContact CG-CE1 4.13Å
158I98.3Very high97.7Very high48 Ų4854 Ų5425%0.24628%0.28CS..Hα-helixtrans-59.9-53.2176.1-69.4166.9000110.2K154 V155 F160 V161 D162 F189K154-I158 HydrophobicContact CD-CD1 4.43Å; K154-I158 HydrophobicContact CG-CD1 3.83Å; K154-I158 HydrophobicContact CG-CG1 4.47Å; K154-I158 VanDerWaalsContact O-CG1 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.18Å; K154-I158 PolarHBondContact O-N 3.23Å; V155-I158 PolarHBondContact O-N 2.75Å; I158-F160 VanDerWaalsContact C-N 3.28Å; I158-F160 PolarHBondContact O-N 3.02Å; I158-V161 PolarHBondContact O-N 3.23Å; I158-D162 WeakPolarHBondContact CG2-OD2 3.45Å; I158-D162 WeakPolarHBondContact O-CB 3.39Å; I158-D162 PolarHBondContact O-N 2.93Å; I158-F189 HydrophobicContact CD1-CD2 3.99Å; I158-F189 HydrophobicContact CD1-CE2 4.29Å; I158-F189 HydrophobicContact CD1-CG 4.45Å; I158-F189 HydrophobicContact CG1-CD1 4.15Å; I158-F189 HydrophobicContact CG1-CD2 3.56Å; I158-F189 HydrophobicContact CG1-CE1 4.13Å; I158-F189 HydrophobicContact CG1-CE2 3.56Å; I158-F189 HydrophobicContact CG1-CG 3.87Å; I158-F189 HydrophobicContact CG1-CZ 3.83Å
159E98.3Very high97.7Very high108 Ų10854.7 Ų54.751%0.50528%0.284SS..Hα-helixtrans-59.7-39.3-178.6-73174.9-179.600112.2V155 V156 K163V155-E159 HydrophobicContact CG1-CG 4.44Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.17Å; V155-E159 WeakPolarHBondContact O-CG 3.43Å; V155-E159 PolarHBondContact O-N 3.3Å; V156-E159 PolarHBondContact O-N 2.9Å; E159-K163 WeakPolarHBondContact O-CB 3.49Å; E159-K163 PolarHBondContact O-N 3.28Å
160F98.6Very high97.7Very high18 Ų1854.2 Ų54.28%0.07929%0.286CS..Hα-helixtrans-63.8-51.5175.4176.8-102000111.5L4 I95 F122 V156 L157 I158 D162 K163 Q164 Y171L4-F160 HydrophobicContact CD1-CD1 4.49Å; L4-F160 HydrophobicContact CD1-CE1 3.62Å; L4-F160 HydrophobicContact CD1-CZ 4.35Å; L4-F160 HydrophobicContact CD2-CD1 3.89Å; L4-F160 HydrophobicContact CD2-CE1 3.73Å; L4-F160 HydrophobicContact CG-CE1 4.34Å; I95-F160 HydrophobicContact CD1-CD1 3.76Å; I95-F160 HydrophobicContact CD1-CE1 4.01Å; I95-F160 HydrophobicContact CD1-CG 4.16Å; I95-F160 HydrophobicContact CG2-CE1 3.97Å; I95-F160 HydrophobicContact CG2-CE2 4.04Å; I95-F160 HydrophobicContact CG2-CZ 3.62Å; F122-F160 HydrophobicContact CE2-CB 4.27Å; F122-F160 AromaticContact CE2-CD2 3.83Å; F122-F160 HydrophobicContact CE2-CD2 3.83Å; F122-F160 HydrophobicContact CE2-CE2 4.45Å; F122-F160 HydrophobicContact CE2-CG 4.15Å; F122-F160 HydrophobicContact CZ-CB 4.2Å; F122-F160 AromaticContact CZ-CD2 3.67Å; F122-F160 HydrophobicContact CZ-CD2 3.67Å; F122-F160 HydrophobicContact CZ-CE2 4.45Å; F122-F160 HydrophobicContact CZ-CG 4.24Å; V156-F160 WeakPolarHBondContact O-CB 3.01Å; V156-F160 PolarHBondContact O-N 3.33Å; L157-F160 PolarHBondContact O-N 3.47Å; I158-F160 VanDerWaalsContact C-N 3.28Å; I158-F160 PolarHBondContact O-N 3.02Å; F160-D162 PolarHBondContact O-N 3.46Å; F160-K163 PolarHBondContact O-N 2.81Å; F160-Q164 HydrophobicContact CD1-CG 4.23Å; F160-Q164 HydrophobicContact CD2-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.83Å; F160-Q164 HydrophobicContact CE2-CG 3.87Å; F160-Q164 HydrophobicContact CG-CG 4.45Å; F160-Q164 HydrophobicContact CZ-CG 3.65Å; F160-Q164 VanDerWaalsContact O-CG 3.27Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.24Å; F160-Y171 HydrophobicContact CE1-CE2 4.01Å; F160-Y171 WeakPolarHBondContact CE1-OH 3.42Å
161V98.2Very high97.6Very high26 Ų2655.1 Ų55.116%0.15829%0.29CS..Hα-helixtrans-61.9-44.3-1791710000111.2L4 L157 I158 K163 Q164 L165 I174 F189L4-V161 HydrophobicContact CD2-CG2 3.93Å; L157-V161 HydrophobicContact CD1-CG2 4.1Å; L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.44Å; I158-V161 PolarHBondContact O-N 3.23Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 3.13Å; V161-Q164 PolarHBondContact O-N 3.32Å; V161-L165 WeakPolarHBondContact O-CB 3.5Å; V161-L165 PolarHBondContact O-N 2.64Å; V161-I174 HydrophobicContact CG2-CD1 3.93Å; V161-F189 HydrophobicContact CG2-CE1 4.36Å
162D98.1Very high97.5Very high79 Ų7958.6 Ų58.642%0.42231%0.311SS..Hα-helixtrans-62-41.6177.8-73.9-14.3000111.5I158 F160 L165 Q166I158-D162 WeakPolarHBondContact CG2-OD2 3.45Å; I158-D162 WeakPolarHBondContact O-CB 3.39Å; I158-D162 PolarHBondContact O-N 2.93Å; F160-D162 PolarHBondContact O-N 3.46Å; D162-L165 PolarHBondContact O-N 2.84Å; D162-Q166 VanDerWaalsContact O-CG 3.32Å; D162-Q166 WeakPolarHBondContact O-CG 3.29Å; D162-Q166 PolarHBondContact O-N 2.88Å
163K98.2Very high97.4Very high121 Ų12159.8 Ų59.853%0.52632%0.316SS..Hα-helixtrans-64.9-42.1176.2-176.3178.2-179.11780112.1E159 F160 V161 L165 Q166 Q167E159-K163 WeakPolarHBondContact O-CB 3.49Å; E159-K163 PolarHBondContact O-N 3.28Å; F160-K163 PolarHBondContact O-N 2.81Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 3.13Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-Q166 PolarHBondContact O-N 2.87Å; K163-Q167 WeakPolarHBondContact O-CG 3.31Å; K163-Q167 PolarHBondContact O-N 3.2Å
164Q97.9Very high97.4Very high31 Ų3160.3 Ų60.315%0.14532%0.319CS..Hα-helixtrans-63.4-41.2176.3-68.8-61.9113.400110.9F160 V161 Q166 Q167 G168 V169 Y171F160-Q164 HydrophobicContact CD1-CG 4.23Å; F160-Q164 HydrophobicContact CD2-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.83Å; F160-Q164 HydrophobicContact CE2-CG 3.87Å; F160-Q164 HydrophobicContact CG-CG 4.45Å; F160-Q164 HydrophobicContact CZ-CG 3.65Å; F160-Q164 VanDerWaalsContact O-CG 3.27Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.24Å; V161-Q164 PolarHBondContact O-N 3.32Å; Q164-Q166 PolarHBondContact O-N 3.45Å; Q164-Q167 CarbonylContact O-C 3.59Å; Q164-Q167 WeakPolarHBondContact O-CA 3.01Å; Q164-Q167 WeakPolarHBondContact O-CB 3.25Å; Q164-Q167 PolarHBondContact O-N 2.87Å; Q164-G168 PolarHBondContact O-N 3.02Å; Q164-V169 CarbonylContact C-O 3.45Å; Q164-V169 VanDerWaalsContact C-O 3.26Å; Q164-V169 HydrophobicContact CB-CB 4.12Å; Q164-V169 HydrophobicContact CB-CG1 4.41Å; Q164-V169 WeakPolarHBondContact O-CB 3.46Å; Q164-V169 PolarHBondContact O-N 2.86Å; Q164-Y171 HydrophobicContact CB-CE2 3.93Å; Q164-Y171 HydrophobicContact CG-CE2 3.97Å; Q164-Y171 PolarHBondContact NE2-OH 3.17Å
165L96.8Very high97.4Very high96 Ų9657.6 Ų57.650%0.50331%0.307SS..Hα-helixtrans-62.7-42.1176.6-176.262.8000112.3V161 D162 K163 Q167 G168 V169 N170V161-L165 WeakPolarHBondContact O-CB 3.5Å; V161-L165 PolarHBondContact O-N 2.64Å; D162-L165 PolarHBondContact O-N 2.84Å; K163-L165 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 3.43Å; L165-G168 PolarHBondContact O-N 3.09Å; L165-V169 WeakPolarHBondContact CA-O 3.35Å; L165-V169 PolarHBondContact N-O 3.32Å; L165-N170 HydrophobicContact CD1-CB 4.42Å
166Q97.6Very high97.4Very high167 Ų16755.4 Ų55.478%0.7829%0.294SS*.Hα-helixtrans-61.2-25.4173.6-71.4170.718.400112.9D162 K163 Q164 G168D162-Q166 VanDerWaalsContact O-CG 3.32Å; D162-Q166 WeakPolarHBondContact O-CG 3.29Å; D162-Q166 PolarHBondContact O-N 2.88Å; K163-Q166 PolarHBondContact O-N 2.87Å; Q164-Q166 PolarHBondContact O-N 3.45Å; Q166-G168 VanDerWaalsContact C-N 3.3Å
167Q96.5Very high97.5Very high123 Ų12355.4 Ų55.458%0.57529%0.294SS*.THydrogen-bonded Turntrans-89.47174.8-65.2177.6-5.500113K163 Q164 L165 V169K163-Q167 WeakPolarHBondContact O-CG 3.31Å; K163-Q167 PolarHBondContact O-N 3.2Å; Q164-Q167 CarbonylContact O-C 3.59Å; Q164-Q167 WeakPolarHBondContact O-CA 3.01Å; Q164-Q167 WeakPolarHBondContact O-CB 3.25Å; Q164-Q167 PolarHBondContact O-N 2.87Å; L165-Q167 PolarHBondContact O-N 3.43Å; Q167-V169 VanDerWaalsContact C-N 3.32Å
168G96.4Very high97.4Very high69 Ų6955.4 Ų55.471%0.71129%0.294SS*.THydrogen-bonded Turntrans79.89.7179.900000114.4Q164 L165 Q166Q164-G168 PolarHBondContact O-N 3.02Å; L165-G168 PolarHBondContact O-N 3.09Å; Q166-G168 VanDerWaalsContact C-N 3.3Å
169V95.6Very high97.5Very high48 Ų4853.7 Ų53.729%0.29129%0.285SS..  trans-93.1114.2175179.80000108.9Q164 L165 Q167 Y171Q164-V169 CarbonylContact C-O 3.45Å; Q164-V169 VanDerWaalsContact C-O 3.26Å; Q164-V169 HydrophobicContact CB-CB 4.12Å; Q164-V169 HydrophobicContact CB-CG1 4.41Å; Q164-V169 WeakPolarHBondContact O-CB 3.46Å; Q164-V169 PolarHBondContact O-N 2.86Å; L165-V169 WeakPolarHBondContact CA-O 3.35Å; L165-V169 PolarHBondContact N-O 3.32Å; Q167-V169 VanDerWaalsContact C-N 3.32Å; V169-Y171 HydrophobicContact CG1-CE1 4Å
170N94.6Very high97.3Very high98 Ų9848.8 Ų48.852%0.52426%0.264SS..  trans-110.6131.2171.8-165.413.2000110.2L165L165-N170 HydrophobicContact CD1-CB 4.42Å
171Y96.5Very high97.2Very high20 Ų2050 Ų508%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-90.7135.5176.5-61.9-64.9000109.8K2 L4 D93 F160 Q164 V169 Q173K2-Y171 HydrophobicContact CB-CD1 4.23Å; K2-Y171 HydrophobicContact CB-CE1 4.41Å; K2-Y171 CarbonylContact O-C 3.6Å; K2-Y171 VanDerWaalsContact O-CA 3.24Å; K2-Y171 WeakPolarHBondContact O-CA 3.44Å; L4-Y171 HydrophobicContact CB-CD1 3.76Å; L4-Y171 HydrophobicContact CB-CD2 3.94Å; L4-Y171 HydrophobicContact CB-CE1 3.99Å; L4-Y171 HydrophobicContact CB-CE2 4.13Å; L4-Y171 HydrophobicContact CB-CG 3.74Å; L4-Y171 HydrophobicContact CD1-CE1 4.42Å; L4-Y171 HydrophobicContact CD1-CE2 4.4Å; L4-Y171 HydrophobicContact CD2-CD2 4.07Å; L4-Y171 HydrophobicContact CD2-CE2 3.9Å; L4-Y171 HydrophobicContact CG-CE2 4.36Å; D93-Y171 HydrophobicContact CB-CE1 3.8Å; D93-Y171 WeakPolarHBondContact OD2-CE1 3.3Å; D93-Y171 PolarHBondContact OD2-OH 3.23Å; F160-Y171 HydrophobicContact CE1-CE2 4.01Å; F160-Y171 WeakPolarHBondContact CE1-OH 3.42Å; Q164-Y171 HydrophobicContact CB-CE2 3.93Å; Q164-Y171 HydrophobicContact CG-CE2 3.97Å; Q164-Y171 PolarHBondContact NE2-OH 3.17Å; V169-Y171 HydrophobicContact CG1-CE1 4Å; Y171-Q173 VanDerWaalsContact C-N 3.26Å
172T95Very high97Very high73 Ų7350.8 Ų50.845%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-70.4-30.3174460000111.8M1 K2M1-T172 HydrophobicContact CB-CG2 3.45Å; M1-T172 VanDerWaalsContact CB-CG2 3.45Å; M1-T172 HydrophobicContact CE-CG2 3.82Å; M1-T172 HydrophobicContact CG-CG2 4.38Å; M1-T172 HydrophobicContact SD-CG2 4.17Å; K2-T172 PolarHBondContact O-N 3.07Å; K2-T172 PolarHBondContact O-OG1 3.47Å
173Q96.4Very high97Very high26 Ų2647 Ų4712%0.12126%0.264CS..EExtended strand (participates in β ladder)trans-161.8146.8-170.2-160.9175.510.200109.6I3 L4 Y171 D193I3-Q173 WeakPolarHBondContact CA-O 3.26Å; I3-Q173 HydrophobicContact CG1-CB 4.29Å; I3-Q173 HydrophobicContact CG2-CB 4.35Å; L4-Q173 PolarHBondContact N-O 2.88Å; Y171-Q173 VanDerWaalsContact C-N 3.26Å; Q173-D193 VanDerWaalsContact CD-O 3.27Å; Q173-D193 VanDerWaalsContact CG-O 3.23Å; Q173-D193 WeakPolarHBondContact CG-O 3.42Å; Q173-D193 PolarHBondContact NE2-O 2.87Å
174I98.4Very high96.9Very high12 Ų1242.6 Ų42.66%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-110.2127.3170.3-56.4177000108.2L4 V6 V161 F189 L190 D194 V195L4-I174 HydrophobicContact CB-CG1 4.35Å; L4-I174 HydrophobicContact CD2-CG1 4.38Å; L4-I174 WeakPolarHBondContact O-CA 3.48Å; V6-I174 HydrophobicContact CG2-CG2 3.94Å; V161-I174 HydrophobicContact CG2-CD1 3.93Å; I174-F189 HydrophobicContact CD1-CE1 4.18Å; I174-L190 HydrophobicContact CB-CD2 3.92Å; I174-L190 HydrophobicContact CG2-CD2 3.66Å; I174-D194 PolarHBondContact N-OD1 3.34Å; I174-D194 WeakPolarHBondContact O-CB 3.4Å; I174-V195 PolarHBondContact O-N 3.24Å
175V98.7Very high96.9Very high0 Ų041.8 Ų41.80%025%0.245CC..EExtended strand (participates in β ladder)trans-110.5113.1170.8-176.50000107.7I3 L4 L5 V6 I177 V195 M197 L235 L238I3-V175 HydrophobicContact CG2-CG2 3.82Å; L4-V175 PolarHBondContact O-N 3.15Å; L5-V175 HydrophobicContact CD2-CB 3.81Å; L5-V175 HydrophobicContact CD2-CG1 4.45Å; L5-V175 HydrophobicContact CD2-CG2 4.07Å; V6-V175 PolarHBondContact N-O 2.7Å; V175-I177 HydrophobicContact CB-CD1 4.39Å; V175-I177 HydrophobicContact CG1-CD1 3.82Å; V175-I177 HydrophobicContact CG1-CG1 4.15Å; V175-I177 WeakPolarHBondContact O-CD1 3.39Å; V175-V195 CarbonylContact C-O 3.59Å; V175-V195 WeakPolarHBondContact CA-O 3.15Å; V175-V195 HydrophobicContact CG1-CB 4.24Å; V175-V195 HydrophobicContact CG2-CB 4.2Å; V175-V195 HydrophobicContact CG2-CG2 4.22Å; V175-M197 HydrophobicContact CG1-CG 3.79Å; V175-M197 HydrophobicContact CG1-SD 3.51Å; V175-M197 VanDerWaalsContact CG1-SD 3.51Å; V175-L235 HydrophobicContact CG2-CD2 4.32Å; V175-L238 HydrophobicContact CG2-CD1 3.92Å
176Y98.8Very high96.9Very high0 Ų037.2 Ų37.20%022%0.221CC..EExtended strand (participates in β ladder)trans-99.5116.3177.8-167.1-75.3000110.5V6 K153 L157 D183 P186 V187 V195 M197V6-Y176 HydrophobicContact CB-CD2 3.81Å; V6-Y176 HydrophobicContact CB-CE2 4.25Å; V6-Y176 HydrophobicContact CB-CG 4.47Å; V6-Y176 HydrophobicContact CG1-CD2 3.65Å; V6-Y176 HydrophobicContact CG1-CE2 3.57Å; K153-Y176 VanDerWaalsContact CD-OH 3.23Å; K153-Y176 WeakPolarHBondContact CD-OH 3.33Å; L157-Y176 HydrophobicContact CD2-CD2 4.22Å; Y176-D183 HydrophobicContact CE1-CB 3.67Å; Y176-D183 PolarHBondContact OH-OD1 3.33Å; Y176-P186 HydrophobicContact CD2-CB 4.03Å; Y176-P186 HydrophobicContact CD2-CG 4.3Å; Y176-P186 HydrophobicContact CE1-CG 4.18Å; Y176-P186 HydrophobicContact CE2-CB 3.46Å; Y176-P186 VanDerWaalsContact CE2-CB 3.46Å; Y176-P186 HydrophobicContact CE2-CG 3.45Å; Y176-P186 VanDerWaalsContact CE2-CG 3.45Å; Y176-P186 VanDerWaalsContact OH-CG 3.28Å; Y176-P186 WeakPolarHBondContact OH-CG 3.19Å; Y176-V187 HydrophobicContact CD1-CG2 3.88Å; Y176-V187 HydrophobicContact CE1-CG2 4.49Å; Y176-V187 HydrophobicContact CG-CG2 4.16Å; Y176-V195 PolarHBondContact N-O 3.05Å; Y176-M197 WeakPolarHBondContact O-CA 3.23Å; Y176-M197 PolarHBondContact O-N 3.21Å
177I98.9Very high96.8Very high0 Ų029.3 Ų29.30%018%0.184CC..EExtended strand (participates in β ladder)trans-109.4116.8-178.8-52.493.7000109.1L5 V6 F7 D8 T12 V175 M197 W225 I231L5-I177 HydrophobicContact CB-CD1 4.42Å; V6-I177 PolarHBondContact O-N 2.7Å; F7-I177 WeakPolarHBondContact CA-O 3.17Å; F7-I177 HydrophobicContact CD1-CB 3.84Å; F7-I177 HydrophobicContact CD1-CD1 4.19Å; F7-I177 HydrophobicContact CD1-CG1 4.31Å; F7-I177 HydrophobicContact CD1-CG2 4.03Å; F7-I177 HydrophobicContact CD2-CD1 4.23Å; F7-I177 HydrophobicContact CE1-CB 3.99Å; F7-I177 HydrophobicContact CE1-CD1 3.89Å; F7-I177 HydrophobicContact CE1-CG1 4Å; F7-I177 HydrophobicContact CE1-CG2 4.06Å; F7-I177 HydrophobicContact CE2-CD1 3.94Å; F7-I177 HydrophobicContact CG-CB 4.45Å; F7-I177 HydrophobicContact CG-CD1 4.35Å; F7-I177 HydrophobicContact CZ-CD1 3.76Å; F7-I177 HydrophobicContact CZ-CG1 4.31Å; D8-I177 PolarHBondContact N-O 2.93Å; T12-I177 HydrophobicContact CG2-CG2 3.99Å; V175-I177 HydrophobicContact CB-CD1 4.39Å; V175-I177 HydrophobicContact CG1-CD1 3.82Å; V175-I177 HydrophobicContact CG1-CG1 4.15Å; V175-I177 WeakPolarHBondContact O-CD1 3.39Å; I177-M197 HydrophobicContact CG1-CB 4.14Å; I177-M197 HydrophobicContact CG1-SD 4.31Å; I177-W225 HydrophobicContact CG2-CZ2 3.85Å; I177-I231 HydrophobicContact CG1-CD1 4.48Å; I177-I231 HydrophobicContact CG2-CD1 3.68Å
178G98.6Very high96.6Very high0 Ų025.9 Ų25.90%017%0.172CC..EExtended strand (participates in β ladder)trans-162.1178.1-179.700000113.2T12 D183 M197 P198 R199T12-G178 WeakPolarHBondContact OG1-CA 3.32Å; G178-D183 WeakPolarHBondContact CA-OD2 3.47Å; G178-M197 PolarHBondContact N-O 2.88Å; G178-P198 CarbonylContact O-C 3.46Å; G178-P198 WeakPolarHBondContact O-CA 3.47Å; G178-R199 PolarHBondContact O-N 3.05Å
179D98.5Very high96.5Very high12 Ų1224.3 Ų24.36%0.06415%0.145CC..  trans-127.7-31.5-176.280.5-71.3000112.8D10 N11 T12 D183 R199 Y202 T203 L204D10-D179 VanDerWaalsContact O-OD1 3.12Å; N11-D179 HydrophobicContact CB-CB 4.29Å; N11-D179 VanDerWaalsContact CB-CG 3.46Å; N11-D179 WeakPolarHBondContact CB-OD2 3.44Å; T12-D179 PolarHBondContact OG1-N 2.76Å; T12-D179 PolarHBondContact OG1-OD1 3.39Å; D179-D183 PolarHBondContact N-OD2 3.35Å; D179-R199 HydrophobicContact CB-CB 3.68Å; D179-Y202 HydrophobicContact CB-CD1 3.9Å; D179-Y202 HydrophobicContact CB-CD2 4.36Å; D179-Y202 HydrophobicContact CB-CG 3.77Å; D179-Y202 WeakPolarHBondContact O-CB 3.27Å; D179-Y202 WeakPolarHBondContact OD2-CD1 3.1Å; D179-T203 PolarHBondContact O-N 2.94Å; D179-T203 VanDerWaalsContact O-N 3.13Å; D179-L204 VanDerWaalsContact O-CB 3.25Å; D179-L204 WeakPolarHBondContact O-CB 3.38Å; D179-L204 PolarHBondContact O-N 3.41Å
180G95.8Very high96.5Very high6 Ų622.3 Ų22.36%0.06213%0.133CC..SBendtrans-98176-15700000115.6N182 D183 L204G180-N182 VanDerWaalsContact C-N 3.32Å; G180-N182 WeakPolarHBondContact CA-OD1 3.16Å; G180-D183 PolarHBondContact N-OD2 3.46Å; G180-D183 PolarHBondContact O-N 3.29Å; G180-L204 WeakPolarHBondContact O-CB 3.48Å
181G95.1Very high96.5Very high42 Ų4223.5 Ų23.543%0.43313%0.134SC..G310 helixtrans-70-29.1173.800000113.3D183 V184G181-D183 PolarHBondContact O-N 3.23Å; G181-V184 WeakPolarHBondContact O-CB 3.32Å; G181-V184 WeakPolarHBondContact O-CG2 3.32Å; G181-V184 PolarHBondContact O-N 3.48Å
182N95.3Very high96Very high43 Ų4327.7 Ų27.723%0.2316%0.158CC..G310 helixtrans-62.6-20.7172.455.9-27000113D99 K153 G180D99-N182 PolarHBondContact OD2-ND2 3.32Å; K153-N182 VanDerWaalsContact CE-ND2 3.33Å; K153-N182 WeakPolarHBondContact CE-ND2 3.34Å; K153-N182 PolarHBondContact NZ-ND2 2.89Å; G180-N182 VanDerWaalsContact C-N 3.32Å; G180-N182 WeakPolarHBondContact CA-OD1 3.16Å
183D98.1Very high95.8Very high0 Ų030.3 Ų30.30%017%0.169CC..G310 helixtrans-86.7-9.4177-63.6-42.2000114.3K153 Y176 G178 D179 G180 G181 C185 P186 V187 L204K153-D183 IonicContact NZ-OD1 3.19Å; K153-D183 PolarHBondContact NZ-OD1 2.97Å; Y176-D183 HydrophobicContact CE1-CB 3.67Å; Y176-D183 PolarHBondContact OH-OD1 3.33Å; G178-D183 WeakPolarHBondContact CA-OD2 3.47Å; D179-D183 PolarHBondContact N-OD2 3.35Å; G180-D183 PolarHBondContact N-OD2 3.46Å; G180-D183 PolarHBondContact O-N 3.29Å; G181-D183 PolarHBondContact O-N 3.23Å; D183-C185 VanDerWaalsContact C-N 3.33Å; D183-C185 PolarHBondContact O-N 3.14Å; D183-P186 VanDerWaalsContact O-CD 3.26Å; D183-P186 WeakPolarHBondContact O-CD 3.45Å; D183-P186 VanDerWaalsContact O-CG 3.27Å; D183-P186 WeakPolarHBondContact O-CG 3.45Å; D183-V187 WeakPolarHBondContact O-CG2 3.24Å; D183-V187 PolarHBondContact O-N 3.13Å; D183-L204 HydrophobicContact CB-CD1 4.02Å; D183-L204 HydrophobicContact CB-CD2 3.72Å; D183-L204 HydrophobicContact CB-CG 4.35Å
184V96.3Very high95.8Very high28 Ų2829.6 Ų29.617%0.1717%0.166CC..Hα-helixtrans-64.9-40.9178.9176.20000110.6G181 V187 T188 L204 T207G181-V184 WeakPolarHBondContact O-CB 3.32Å; G181-V184 WeakPolarHBondContact O-CG2 3.32Å; G181-V184 PolarHBondContact O-N 3.48Å; V184-V187 PolarHBondContact O-N 3.49Å; V184-T188 WeakPolarHBondContact O-CG2 3.3Å; V184-T188 PolarHBondContact O-N 3.46Å; V184-L204 HydrophobicContact CB-CD1 4.34Å; V184-L204 HydrophobicContact CG2-CD1 3.69Å; V184-T207 HydrophobicContact CG1-CG2 4.08Å; V184-T207 HydrophobicContact CG2-CG2 3.8Å
185C96.3Very high95.8Very high14 Ų1429 Ų2910%0.09516%0.163CC..Hα-helixtrans-61.4-52.9-177.7-166.70000113.3C147 K154 D183 V187 T188C147-C185 VanDerWaalsContact SG-CB 3.54Å; K154-C185 HydrophobicContact CB-CB 4.34Å; K154-C185 VanDerWaalsContact CB-SG 3.53Å; D183-C185 VanDerWaalsContact C-N 3.33Å; D183-C185 PolarHBondContact O-N 3.14Å; C185-V187 VanDerWaalsContact C-N 3.29Å; C185-V187 PolarHBondContact O-N 3.32Å; C185-T188 WeakPolarHBondContact O-CB 3.48Å; C185-T188 PolarHBondContact O-N 3.43Å; C185-T188 VanDerWaalsContact O-N 3.14Å; C185-T188 PolarHBondContact O-OG1 3.36Å
186P96.8Very high95.8Very high0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-63.5-32178.724.3-35000113.2K153 K154 L157 Y176 D183 T188 F189K153-P186 HydrophobicContact CB-CB 4.13Å; K153-P186 HydrophobicContact CB-CG 3.71Å; K154-P186 HydrophobicContact CB-CB 4.41Å; L157-P186 HydrophobicContact CD2-CB 4.24Å; Y176-P186 HydrophobicContact CD2-CB 4.03Å; Y176-P186 HydrophobicContact CD2-CG 4.3Å; Y176-P186 HydrophobicContact CE1-CG 4.18Å; Y176-P186 HydrophobicContact CE2-CB 3.46Å; Y176-P186 VanDerWaalsContact CE2-CB 3.46Å; Y176-P186 HydrophobicContact CE2-CG 3.45Å; Y176-P186 VanDerWaalsContact CE2-CG 3.45Å; Y176-P186 VanDerWaalsContact OH-CG 3.28Å; Y176-P186 WeakPolarHBondContact OH-CG 3.19Å; D183-P186 VanDerWaalsContact O-CD 3.26Å; D183-P186 WeakPolarHBondContact O-CD 3.45Å; D183-P186 VanDerWaalsContact O-CG 3.27Å; D183-P186 WeakPolarHBondContact O-CG 3.45Å; P186-T188 PolarHBondContact O-N 2.87Å; P186-F189 VanDerWaalsContact O-CB 3.28Å; P186-F189 WeakPolarHBondContact O-CB 3.16Å; P186-F189 PolarHBondContact O-N 3.1Å
187V95.6Very high95.8Very high1 Ų129 Ų291%0.00616%0.163CC..Hα-helixtrans-61.4-27.9175.5169.40000112.3Y176 D183 V184 C185 F189 L190 A196 L204 L208 Y220Y176-V187 HydrophobicContact CD1-CG2 3.88Å; Y176-V187 HydrophobicContact CE1-CG2 4.49Å; Y176-V187 HydrophobicContact CG-CG2 4.16Å; D183-V187 WeakPolarHBondContact O-CG2 3.24Å; D183-V187 PolarHBondContact O-N 3.13Å; V184-V187 PolarHBondContact O-N 3.49Å; C185-V187 VanDerWaalsContact C-N 3.29Å; C185-V187 PolarHBondContact O-N 3.32Å; V187-F189 PolarHBondContact O-N 2.82Å; V187-F189 VanDerWaalsContact O-N 3.16Å; V187-L190 HydrophobicContact CB-CD1 4.47Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 HydrophobicContact CG2-CD1 4.38Å; V187-L190 WeakPolarHBondContact O-CB 3.44Å; V187-L190 WeakPolarHBondContact O-CG 3.45Å; V187-L190 PolarHBondContact O-N 3.17Å; V187-A196 HydrophobicContact CG1-CB 3.76Å; V187-A196 HydrophobicContact CG2-CB 4.13Å; V187-L204 HydrophobicContact CG2-CD1 4.38Å; V187-L204 HydrophobicContact CG2-CD2 4.47Å; V187-L208 HydrophobicContact CG1-CD1 4.44Å; V187-L208 HydrophobicContact CG1-CD2 3.9Å; V187-Y220 HydrophobicContact CG1-CD2 4.34Å; V187-Y220 HydrophobicContact CG1-CE1 4.01Å; V187-Y220 HydrophobicContact CG1-CE2 3.51Å; V187-Y220 VanDerWaalsContact CG1-OH 3.28Å; V187-Y220 WeakPolarHBondContact CG1-OH 3.4Å; V187-Y220 WeakPolarHBondContact O-CE1 3.09Å
188T93.3Very high95.8Very high51 Ų5129 Ų2931%0.31316%0.163SC..THydrogen-bonded Turntrans-71.1-1.5172.8720000115.1K154 V184 C185 P186K154-T188 PolarHBondContact NZ-O 2.99Å; K154-T188 PolarHBondContact NZ-OG1 3.3Å; V184-T188 WeakPolarHBondContact O-CG2 3.3Å; V184-T188 PolarHBondContact O-N 3.46Å; C185-T188 WeakPolarHBondContact O-CB 3.48Å; C185-T188 PolarHBondContact O-N 3.43Å; C185-T188 VanDerWaalsContact O-N 3.14Å; C185-T188 PolarHBondContact O-OG1 3.36Å; P186-T188 PolarHBondContact O-N 2.87Å
189F94.5Very high95.8Very high36 Ų3630 Ų3016%0.15817%0.167CC..THydrogen-bonded Turntrans-94.2-18.8172.5175.9-118.5000112.6K154 L157 I158 V161 I174 P186 V187K154-F189 HydrophobicContact CG-CB 4.19Å; L157-F189 HydrophobicContact CD2-CD1 3.82Å; L157-F189 HydrophobicContact CG-CD1 3.86Å; L157-F189 HydrophobicContact CG-CE1 4.13Å; I158-F189 HydrophobicContact CD1-CD2 3.99Å; I158-F189 HydrophobicContact CD1-CE2 4.29Å; I158-F189 HydrophobicContact CD1-CG 4.45Å; I158-F189 HydrophobicContact CG1-CD1 4.15Å; I158-F189 HydrophobicContact CG1-CD2 3.56Å; I158-F189 HydrophobicContact CG1-CE1 4.13Å; I158-F189 HydrophobicContact CG1-CE2 3.56Å; I158-F189 HydrophobicContact CG1-CG 3.87Å; I158-F189 HydrophobicContact CG1-CZ 3.83Å; V161-F189 HydrophobicContact CG2-CE1 4.36Å; I174-F189 HydrophobicContact CD1-CE1 4.18Å; P186-F189 VanDerWaalsContact O-CB 3.28Å; P186-F189 WeakPolarHBondContact O-CB 3.16Å; P186-F189 PolarHBondContact O-N 3.1Å; V187-F189 PolarHBondContact O-N 2.82Å; V187-F189 VanDerWaalsContact O-N 3.16Å
190L95.9Very high95.8Very high6 Ų635.6 Ų35.63%0.03119%0.19CC..  trans-64.6144.7-178.9-59.3-176.4000110.8I174 V187 D194 A196 Y220I174-L190 HydrophobicContact CB-CD2 3.92Å; I174-L190 HydrophobicContact CG2-CD2 3.66Å; V187-L190 HydrophobicContact CB-CD1 4.47Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 HydrophobicContact CG2-CD1 4.38Å; V187-L190 WeakPolarHBondContact O-CB 3.44Å; V187-L190 WeakPolarHBondContact O-CG 3.45Å; V187-L190 PolarHBondContact O-N 3.17Å; L190-D194 WeakPolarHBondContact CA-OD2 3.31Å; L190-D194 HydrophobicContact CB-CB 3.73Å; L190-D194 HydrophobicContact CD1-CB 4.48Å; L190-D194 HydrophobicContact CD2-CB 4.06Å; L190-D194 HydrophobicContact CG-CB 4.28Å; L190-A196 HydrophobicContact CD1-CB 3.98Å; L190-Y220 HydrophobicContact CB-CD1 3.66Å; L190-Y220 HydrophobicContact CB-CE1 4.45Å; L190-Y220 HydrophobicContact CB-CG 3.81Å; L190-Y220 HydrophobicContact CD1-CD2 4.43Å; L190-Y220 HydrophobicContact CD1-CG 4.28Å
191K93.1Very high95.9Very high124 Ų12437.3 Ų37.354%0.53921%0.208SC..  trans-111.6-175.8-174.4-59.9177.8-176.9173.60111.1D193 D194 Y220K191-D193 PolarHBondContact O-N 3.19Å; K191-D194 PolarHBondContact N-OD2 3.02Å; K191-D194 WeakPolarHBondContact O-CB 3.44Å; K191-D194 PolarHBondContact O-N 2.96Å; K191-D194 VanDerWaalsContact O-N 3.08Å; K191-Y220 WeakPolarHBondContact O-CA 3.26Å; K191-Y220 WeakPolarHBondContact O-CB 3.39Å
192N87.5Confident96Very high108 Ų10838.5 Ų38.558%0.57820%0.2SC*.THydrogen-bonded Turntrans-48.4137.2163.5-66.4-18.9000110.7D194 E219N192-D194 PolarHBondContact O-N 3.07Å; N192-E219 WeakPolarHBondContact CA-O 3.26Å; N192-E219 PolarHBondContact N-O 2.98Å; N192-E219 WeakPolarHBondContact OD1-CB 3.39Å; N192-E219 PolarHBondContact OD1-O 3.32Å
193D90.4Very high96.1Very high128 Ų12839.9 Ų39.968%0.68421%0.21SC*.THydrogen-bonded Turntrans73.1-17.6-174.9-49.3-47.3000115.9Q173 K191Q173-D193 VanDerWaalsContact CD-O 3.27Å; Q173-D193 VanDerWaalsContact CG-O 3.23Å; Q173-D193 WeakPolarHBondContact CG-O 3.42Å; Q173-D193 PolarHBondContact NE2-O 2.87Å; K191-D193 PolarHBondContact O-N 3.19Å
194D97Very high96.1Very high10 Ų1039.9 Ų39.95%0.05321%0.21CC..  trans-67.4164.6174.8-69.9-26.8000112.6I174 L190 K191 N192 Y220 S221I174-D194 PolarHBondContact N-OD1 3.34Å; I174-D194 WeakPolarHBondContact O-CB 3.4Å; L190-D194 WeakPolarHBondContact CA-OD2 3.31Å; L190-D194 HydrophobicContact CB-CB 3.73Å; L190-D194 HydrophobicContact CD1-CB 4.48Å; L190-D194 HydrophobicContact CD2-CB 4.06Å; L190-D194 HydrophobicContact CG-CB 4.28Å; K191-D194 PolarHBondContact N-OD2 3.02Å; K191-D194 WeakPolarHBondContact O-CB 3.44Å; K191-D194 PolarHBondContact O-N 2.96Å; K191-D194 VanDerWaalsContact O-N 3.08Å; N192-D194 PolarHBondContact O-N 3.07Å; D194-Y220 WeakPolarHBondContact O-CB 3.24Å; D194-S221 PolarHBondContact O-N 2.81Å; D194-S221 PolarHBondContact O-OG 2.94Å
195V97.9Very high96.1Very high1 Ų140.7 Ų40.71%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-128.8121.8-176.3-167.20000110.8I174 V175 Y176 M197 S221 V223I174-V195 PolarHBondContact O-N 3.24Å; V175-V195 CarbonylContact C-O 3.59Å; V175-V195 WeakPolarHBondContact CA-O 3.15Å; V175-V195 HydrophobicContact CG1-CB 4.24Å; V175-V195 HydrophobicContact CG2-CB 4.2Å; V175-V195 HydrophobicContact CG2-CG2 4.22Å; Y176-V195 PolarHBondContact N-O 3.05Å; V195-M197 HydrophobicContact CG1-CG 3.71Å; V195-S221 WeakPolarHBondContact CA-O 3.28Å; V195-S221 WeakPolarHBondContact CG2-OG 3.4Å; V195-V223 HydrophobicContact CG1-CB 4.18Å; V195-V223 HydrophobicContact CG1-CG2 3.82Å
196A98.2Very high96.2Very high0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-90.9122.1162.600000109.4V187 L190 P198 L208 Y220 S221 V222 V223V187-A196 HydrophobicContact CG1-CB 3.76Å; V187-A196 HydrophobicContact CG2-CB 4.13Å; L190-A196 HydrophobicContact CD1-CB 3.98Å; A196-P198 VanDerWaalsContact C-CD 3.49Å; A196-P198 WeakPolarHBondContact O-CD 3.29Å; A196-L208 HydrophobicContact CB-CD1 4.1Å; A196-Y220 HydrophobicContact CB-CD2 3.69Å; A196-Y220 HydrophobicContact CB-CE2 3.71Å; A196-S221 PolarHBondContact N-O 3.37Å; A196-V222 HydrophobicContact CB-CG2 4.44Å; A196-V222 CarbonylContact O-C 3.56Å; A196-V222 WeakPolarHBondContact O-CA 3.33Å; A196-V223 PolarHBondContact O-N 3.4Å
197M98.6Very high96.1Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-111.884.7177.5-60.5-163.374.900110.7V175 Y176 I177 G178 V195 V223 W225 I231 H234V175-M197 HydrophobicContact CG1-CG 3.79Å; V175-M197 HydrophobicContact CG1-SD 3.51Å; V175-M197 VanDerWaalsContact CG1-SD 3.51Å; Y176-M197 WeakPolarHBondContact O-CA 3.23Å; Y176-M197 PolarHBondContact O-N 3.21Å; I177-M197 HydrophobicContact CG1-CB 4.14Å; I177-M197 HydrophobicContact CG1-SD 4.31Å; G178-M197 PolarHBondContact N-O 2.88Å; V195-M197 HydrophobicContact CG1-CG 3.71Å; M197-V223 VanDerWaalsContact CA-O 3.23Å; M197-V223 WeakPolarHBondContact CA-O 3.43Å; M197-V223 HydrophobicContact CE-CB 4.07Å; M197-V223 HydrophobicContact CE-CG1 3.78Å; M197-V223 HydrophobicContact CG-CB 4.31Å; M197-W225 VanDerWaalsContact C-CD1 3.44Å; M197-W225 HydrophobicContact CE-CB 4.33Å; M197-W225 PolarHBondContact O-NE1 3.01Å; M197-I231 HydrophobicContact CE-CB 4.31Å; M197-I231 HydrophobicContact CE-CG1 3.95Å; M197-I231 HydrophobicContact CE-CG2 4.41Å; M197-I231 HydrophobicContact SD-CG1 4.48Å; M197-I231 HydrophobicContact SD-CG2 4.17Å; M197-H234 HydrophobicContact CE-CB 4.17Å
198P98.6Very high96Very high0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-78.5136.917732.6-36.8000112.6G178 A196 K200 L204 Q205 L208 V222 V224 W225G178-P198 CarbonylContact O-C 3.46Å; G178-P198 WeakPolarHBondContact O-CA 3.47Å; A196-P198 VanDerWaalsContact C-CD 3.49Å; A196-P198 WeakPolarHBondContact O-CD 3.29Å; P198-K200 PolarHBondContact O-N 3.26Å; P198-L204 HydrophobicContact CB-CB 4.06Å; P198-L204 HydrophobicContact CB-CD2 3.93Å; P198-L204 HydrophobicContact CB-CG 3.84Å; P198-Q205 HydrophobicContact CB-CB 3.96Å; P198-Q205 HydrophobicContact CG-CB 4.32Å; P198-Q205 HydrophobicContact CG-CG 4.5Å; P198-L208 HydrophobicContact CB-CD1 4.25Å; P198-L208 HydrophobicContact CG-CD1 4.07Å; P198-V222 HydrophobicContact CG-CG1 3.81Å; P198-V224 HydrophobicContact CG-CG2 4.16Å; P198-V224 WeakPolarHBondContact O-CA 3.39Å; P198-W225 VanDerWaalsContact C-CD1 3.42Å; P198-W225 VanDerWaalsContact O-CD1 3.31Å; P198-W225 PolarHBondContact O-N 3.2Å
199R98.6Very high95.9Very high20 Ų2047.2 Ų47.28%0.07524%0.244CC..BIsolated β-bridgetrans-66.1131.9173.7-164.2174.9178.6-168.2-6.2110.9N11 D15 G178 D179 G201 Y202 W225N11-R199 WeakPolarHBondContact O-CD 3.42Å; N11-R199 PolarHBondContact O-NH1 3.23Å; D15-R199 IonicContact OD1-CZ 2.84Å; D15-R199 IonicContact OD1-NH1 3.19Å; D15-R199 PolarHBondContact OD1-NH1 2.81Å; D15-R199 IonicContact OD1-NH2 3.73Å; D15-R199 PolarHBondContact OD1-NH2 2.86Å; D15-R199 IonicContact OD2-NH2 2.77Å; G178-R199 PolarHBondContact O-N 3.05Å; D179-R199 HydrophobicContact CB-CB 3.68Å; R199-G201 PolarHBondContact O-N 3.19Å; R199-Y202 HydrophobicContact CB-CD2 3.97Å; R199-Y202 HydrophobicContact CB-CG 4.47Å; R199-Y202 HydrophobicContact CG-CD2 3.77Å; R199-Y202 HydrophobicContact CG-CE2 4.01Å; R199-Y202 PolarHBondContact NH1-OH 3.36Å; R199-Y202 PolarHBondContact O-N 3.45Å; R199-W225 CarbonylContact C-O 3.59Å; R199-W225 WeakPolarHBondContact CA-O 3.4Å; R199-W225 HydrophobicContact CB-CD2 4.36Å; R199-W225 HydrophobicContact CB-CH2 4.11Å; R199-W225 HydrophobicContact CB-CZ2 3.5Å; R199-W225 VanDerWaalsContact CB-CZ2 3.5Å; R199-W225 HydrophobicContact CG-CD2 4.27Å; R199-W225 HydrophobicContact CG-CE3 4.32Å; R199-W225 HydrophobicContact CG-CH2 3.72Å; R199-W225 HydrophobicContact CG-CZ2 3.65Å; R199-W225 HydrophobicContact CG-CZ3 4.07Å
200K98.4Very high95.7Very high130 Ų13053.1 Ų53.157%0.56527%0.265SS*.THydrogen-bonded Turntrans-59.1129.8179.1-171.5179.2179.5179.10111.2P198 Y202 V224 W225 S226P198-K200 PolarHBondContact O-N 3.26Å; K200-Y202 WeakPolarHBondContact O-CD2 3.39Å; K200-V224 HydrophobicContact CB-CG1 3.73Å; K200-V224 HydrophobicContact CG-CG1 4.16Å; K200-W225 WeakPolarHBondContact CB-O 3.5Å; K200-W225 PolarHBondContact N-O 3.4Å; K200-S226 WeakPolarHBondContact CB-OG 3.18Å; K200-S226 WeakPolarHBondContact CD-OG 3.29Å
201G97.6Very high95.3Very high42 Ų4254.7 Ų54.743%0.43327%0.273SS..THydrogen-bonded Turntrans92.7-14.517700000114.7R199 K206R199-G201 PolarHBondContact O-N 3.19Å; G201-K206 WeakPolarHBondContact O-CE 3.37Å; G201-K206 PolarHBondContact O-NZ 3.36Å
202Y98.1Very high94.8Very high66 Ų6651.5 Ų51.526%0.25927%0.267SS..SBendtrans-94.8176.8-173.9-71.1-100.6000113.3N11 D179 R199 K200 L204 Q205 K206N11-Y202 HydrophobicContact CB-CD1 4.33Å; N11-Y202 HydrophobicContact CB-CE1 3.66Å; N11-Y202 PolarHBondContact OD1-OH 3.36Å; D179-Y202 HydrophobicContact CB-CD1 3.9Å; D179-Y202 HydrophobicContact CB-CD2 4.36Å; D179-Y202 HydrophobicContact CB-CG 3.77Å; D179-Y202 WeakPolarHBondContact O-CB 3.27Å; D179-Y202 WeakPolarHBondContact OD2-CD1 3.1Å; R199-Y202 HydrophobicContact CB-CD2 3.97Å; R199-Y202 HydrophobicContact CB-CG 4.47Å; R199-Y202 HydrophobicContact CG-CD2 3.77Å; R199-Y202 HydrophobicContact CG-CE2 4.01Å; R199-Y202 PolarHBondContact NH1-OH 3.36Å; R199-Y202 PolarHBondContact O-N 3.45Å; K200-Y202 WeakPolarHBondContact O-CD2 3.39Å; Y202-L204 PolarHBondContact O-N 2.82Å; Y202-Q205 PolarHBondContact O-N 2.78Å; Y202-K206 WeakPolarHBondContact O-CG 3.26Å; Y202-K206 PolarHBondContact O-N 2.96Å
203T97.6Very high94.5Very high72 Ų7253.5 Ų53.544%0.44227%0.272SS..Hα-helixtrans-67.4-36.7-168.2-61.80000112.7D179 K206 T207D179-T203 PolarHBondContact O-N 2.94Å; D179-T203 VanDerWaalsContact O-N 3.13Å; T203-K206 PolarHBondContact O-N 3.27Å; T203-T207 WeakPolarHBondContact O-CB 3.04Å; T203-T207 PolarHBondContact O-N 3.14Å; T203-T207 PolarHBondContact O-OG1 3.39Å
204L97.7Very high93.8Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-60.2-49.3178-171.759.7000110.7D179 G180 D183 V184 V187 P198 Y202 K206 T207 L208D179-L204 VanDerWaalsContact O-CB 3.25Å; D179-L204 WeakPolarHBondContact O-CB 3.38Å; D179-L204 PolarHBondContact O-N 3.41Å; G180-L204 WeakPolarHBondContact O-CB 3.48Å; D183-L204 HydrophobicContact CB-CD1 4.02Å; D183-L204 HydrophobicContact CB-CD2 3.72Å; D183-L204 HydrophobicContact CB-CG 4.35Å; V184-L204 HydrophobicContact CB-CD1 4.34Å; V184-L204 HydrophobicContact CG2-CD1 3.69Å; V187-L204 HydrophobicContact CG2-CD1 4.38Å; V187-L204 HydrophobicContact CG2-CD2 4.47Å; P198-L204 HydrophobicContact CB-CB 4.06Å; P198-L204 HydrophobicContact CB-CD2 3.93Å; P198-L204 HydrophobicContact CB-CG 3.84Å; Y202-L204 PolarHBondContact O-N 2.82Å; L204-K206 PolarHBondContact O-N 3.28Å; L204-T207 PolarHBondContact O-N 3.09Å; L204-T207 VanDerWaalsContact O-N 3.14Å; L204-L208 HydrophobicContact CD1-CD1 4.24Å; L204-L208 HydrophobicContact CD1-CG 4.26Å; L204-L208 HydrophobicContact CG-CD1 4.07Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.45Å
205Q97.5Very high92.2Very high45 Ų4560 Ų6021%0.2131%0.306CS..Hα-helixtrans-55.4-51.7177.2-172.2-158.83.900111P198 Y202 T207 L208 S209 V224P198-Q205 HydrophobicContact CB-CB 3.96Å; P198-Q205 HydrophobicContact CG-CB 4.32Å; P198-Q205 HydrophobicContact CG-CG 4.5Å; Y202-Q205 PolarHBondContact O-N 2.78Å; Q205-T207 PolarHBondContact O-N 3.42Å; Q205-L208 PolarHBondContact O-N 3.03Å; Q205-S209 PolarHBondContact O-N 2.95Å; Q205-S209 PolarHBondContact O-OG 3.47Å; Q205-V224 HydrophobicContact CG-CG1 4.34Å; Q205-V224 HydrophobicContact CG-CG2 4.11Å
206K96.4Very high90.6Very high109 Ų10965.2 Ų65.247%0.47433%0.33SS..Hα-helixtrans-60.5-34.5-178.7-67.2170-170.8163.30112.1G201 Y202 T203 L204 R210G201-K206 WeakPolarHBondContact O-CE 3.37Å; G201-K206 PolarHBondContact O-NZ 3.36Å; Y202-K206 WeakPolarHBondContact O-CG 3.26Å; Y202-K206 PolarHBondContact O-N 2.96Å; T203-K206 PolarHBondContact O-N 3.27Å; L204-K206 PolarHBondContact O-N 3.28Å; K206-R210 VanDerWaalsContact O-CG 3.3Å; K206-R210 WeakPolarHBondContact O-CG 3.13Å; K206-R210 PolarHBondContact O-N 3.19Å
207T94.7Very high88.9Confident36 Ų3671.1 Ų71.122%0.22137%0.369CS..Hα-helixtrans-74.2-47.6-179-56.70000110.7V184 T203 L204 Q205 S209 R210 M211V184-T207 HydrophobicContact CG1-CG2 4.08Å; V184-T207 HydrophobicContact CG2-CG2 3.8Å; T203-T207 WeakPolarHBondContact O-CB 3.04Å; T203-T207 PolarHBondContact O-N 3.14Å; T203-T207 PolarHBondContact O-OG1 3.39Å; L204-T207 PolarHBondContact O-N 3.09Å; L204-T207 VanDerWaalsContact O-N 3.14Å; Q205-T207 PolarHBondContact O-N 3.42Å; T207-S209 PolarHBondContact O-N 3.14Å; T207-R210 PolarHBondContact O-N 3.37Å; T207-R210 VanDerWaalsContact O-N 3.09Å; T207-M211 HydrophobicContact CG2-SD 4.18Å; T207-M211 WeakPolarHBondContact O-CG 3.5Å; T207-M211 PolarHBondContact O-N 2.94Å
208L93.6Very high87.8Confident5 Ų574 Ų743%0.02638%0.383CS..Hα-helixtrans-62.6-40.8177.3-64178.7000111.9V187 A196 P198 L204 Q205 R210 M211 S212 Y220 V222V187-L208 HydrophobicContact CG1-CD1 4.44Å; V187-L208 HydrophobicContact CG1-CD2 3.9Å; A196-L208 HydrophobicContact CB-CD1 4.1Å; P198-L208 HydrophobicContact CB-CD1 4.25Å; P198-L208 HydrophobicContact CG-CD1 4.07Å; L204-L208 HydrophobicContact CD1-CD1 4.24Å; L204-L208 HydrophobicContact CD1-CG 4.26Å; L204-L208 HydrophobicContact CG-CD1 4.07Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.45Å; Q205-L208 PolarHBondContact O-N 3.03Å; L208-R210 PolarHBondContact O-N 3.18Å; L208-M211 HydrophobicContact CD2-SD 4.15Å; L208-M211 PolarHBondContact O-N 3.24Å; L208-S212 PolarHBondContact O-N 3.47Å; L208-S212 PolarHBondContact O-OG 3.49Å; L208-Y220 HydrophobicContact CD2-CE2 4.49Å; L208-Y220 WeakPolarHBondContact CD2-OH 3.48Å; L208-V222 HydrophobicContact CD1-CG1 4.23Å; L208-V222 HydrophobicContact CD1-CG2 4.39Å
209S92.2Very high87.1Confident53 Ų5379.8 Ų79.837%0.37141%0.41SS..Hα-helixtrans-59.5-32.7173.3-66.70000113.6Q205 T207 S212 Q213Q205-S209 PolarHBondContact O-N 2.95Å; Q205-S209 PolarHBondContact O-OG 3.47Å; T207-S209 PolarHBondContact O-N 3.14Å; S209-S212 PolarHBondContact O-OG 2.97Å; S209-Q213 VanDerWaalsContact O-CG 3.26Å; S209-Q213 WeakPolarHBondContact O-CG 3.46Å; S209-Q213 PolarHBondContact O-N 3.01Å
210R90.8Very high86.8Confident160 Ų16080 Ų8060%0.60441%0.411SS*.Hα-helixtrans-77.3-39.8177.1-72.4170.8-176.1165.20.6111.6K206 T207 L208 S212 Q213 N214K206-R210 VanDerWaalsContact O-CG 3.3Å; K206-R210 WeakPolarHBondContact O-CG 3.13Å; K206-R210 PolarHBondContact O-N 3.19Å; T207-R210 PolarHBondContact O-N 3.37Å; T207-R210 VanDerWaalsContact O-N 3.09Å; L208-R210 PolarHBondContact O-N 3.18Å; R210-S212 VanDerWaalsContact C-N 3.32Å; R210-S212 PolarHBondContact O-N 3.11Å; R210-Q213 PolarHBondContact O-N 3.23Å; R210-N214 PolarHBondContact O-N 3.43Å
211M86.7Confident86.6Confident39 Ų3976.2 Ų76.219%0.19240%0.401CS..Hα-helixtrans-59.9-44176.4-69.2172.262.100111T207 L208 Q213 N214T207-M211 HydrophobicContact CG2-SD 4.18Å; T207-M211 WeakPolarHBondContact O-CG 3.5Å; T207-M211 PolarHBondContact O-N 2.94Å; L208-M211 HydrophobicContact CD2-SD 4.15Å; L208-M211 PolarHBondContact O-N 3.24Å; M211-Q213 VanDerWaalsContact C-N 3.31Å; M211-Q213 PolarHBondContact O-N 3.24Å; M211-N214 PolarHBondContact O-N 3.1Å
212S82Confident86.5Confident58 Ų5876.9 Ų76.941%0.40640%0.397SS..Hα-helixtrans-64.1-33.9177.267.80000113.4L208 S209 R210 N214 L215L208-S212 PolarHBondContact O-N 3.47Å; L208-S212 PolarHBondContact O-OG 3.49Å; S209-S212 PolarHBondContact O-OG 2.97Å; R210-S212 VanDerWaalsContact C-N 3.32Å; R210-S212 PolarHBondContact O-N 3.11Å; S212-N214 VanDerWaalsContact C-N 3.32Å; S212-L215 PolarHBondContact O-N 2.85Å
213Q81Confident86.5Confident149 Ų14975.8 Ų75.870%0.69640%0.397SS*.Hα-helixtrans-70.6-28.6177.2-75.8172.6-0.300112.8S209 R210 M211 L215S209-Q213 VanDerWaalsContact O-CG 3.26Å; S209-Q213 WeakPolarHBondContact O-CG 3.46Å; S209-Q213 PolarHBondContact O-N 3.01Å; R210-Q213 PolarHBondContact O-N 3.23Å; M211-Q213 VanDerWaalsContact C-N 3.31Å; M211-Q213 PolarHBondContact O-N 3.24Å; Q213-L215 PolarHBondContact O-N 3.28Å
214N76.9Confident86.5Confident117 Ų11775.3 Ų75.363%0.62639%0.394SS*.THydrogen-bonded Turntrans-80.210.6178.2-68.8-17.9000113.3R210 M211 S212 E216R210-N214 PolarHBondContact O-N 3.43Å; M211-N214 PolarHBondContact O-N 3.1Å; S212-N214 VanDerWaalsContact C-N 3.32Å; N214-E216 PolarHBondContact O-N 3.17Å; N214-E216 VanDerWaalsContact O-N 3.11Å
215L62.8Low86.5Confident157 Ų15775.3 Ų75.382%0.82239%0.394SS*.THydrogen-bonded Turntrans55.922.1-178.5-60.2170.1000113.8S212 Q213 P217S212-L215 PolarHBondContact O-N 2.85Å; Q213-L215 PolarHBondContact O-N 3.28Å; L215-P217 VanDerWaalsContact O-CD 3.24Å; L215-P217 WeakPolarHBondContact O-CD 3.39Å
216E64.4Low86.6Confident111 Ų11175.8 Ų75.852%0.51940%0.402SS..  trans-72.1114.7166.8-68.5-170.8171.500107.4N214 M218N214-E216 PolarHBondContact O-N 3.17Å; N214-E216 VanDerWaalsContact O-N 3.11Å; E216-M218 PolarHBondContact O-N 2.9Å; E216-M218 VanDerWaalsContact O-N 3.13Å
217P63.8Low86.7Confident124 Ų12471.7 Ų71.781%0.80539%0.387SS*.  trans-64.1119.7-179.122.7-28000109.2L215L215-P217 VanDerWaalsContact O-CD 3.24Å; L215-P217 WeakPolarHBondContact O-CD 3.39Å
218M75.1Confident86.9Confident60 Ų6070 Ų7030%0.29638%0.376SS..  trans-85.4126.6169.1-64.3-176.5-61.900107.8E216 Y220 V222E216-M218 PolarHBondContact O-N 2.9Å; E216-M218 VanDerWaalsContact O-N 3.13Å; M218-Y220 VanDerWaalsContact C-N 3.27Å; M218-Y220 HydrophobicContact CB-CE1 4.3Å; M218-Y220 HydrophobicContact CB-CE2 4.38Å; M218-Y220 HydrophobicContact SD-CE2 4.03Å; M218-V222 HydrophobicContact CE-CG2 3.93Å; M218-V222 HydrophobicContact SD-CG2 4.13Å
219E83.9Confident87.1Confident123 Ų12373.1 Ų73.158%0.57540%0.396SS*.SBendtrans-74.7-20.7177.1-65.5-173.9-179.800111.7N192N192-E219 WeakPolarHBondContact CA-O 3.26Å; N192-E219 PolarHBondContact N-O 2.98Å; N192-E219 WeakPolarHBondContact OD1-CB 3.39Å; N192-E219 PolarHBondContact OD1-O 3.32Å
220Y91.3Very high87.4Confident23 Ų2373.7 Ų73.79%0.0940%0.395CS..SBendtrans-106.5162.7-176.753.6-90.5000112.8V187 L190 K191 D194 A196 L208 M218 V222V187-Y220 HydrophobicContact CG1-CD2 4.34Å; V187-Y220 HydrophobicContact CG1-CE1 4.01Å; V187-Y220 HydrophobicContact CG1-CE2 3.51Å; V187-Y220 VanDerWaalsContact CG1-OH 3.28Å; V187-Y220 WeakPolarHBondContact CG1-OH 3.4Å; V187-Y220 WeakPolarHBondContact O-CE1 3.09Å; L190-Y220 HydrophobicContact CB-CD1 3.66Å; L190-Y220 HydrophobicContact CB-CE1 4.45Å; L190-Y220 HydrophobicContact CB-CG 3.81Å; L190-Y220 HydrophobicContact CD1-CD2 4.43Å; L190-Y220 HydrophobicContact CD1-CG 4.28Å; K191-Y220 WeakPolarHBondContact O-CA 3.26Å; K191-Y220 WeakPolarHBondContact O-CB 3.39Å; D194-Y220 WeakPolarHBondContact O-CB 3.24Å; A196-Y220 HydrophobicContact CB-CD2 3.69Å; A196-Y220 HydrophobicContact CB-CE2 3.71Å; L208-Y220 HydrophobicContact CD2-CE2 4.49Å; L208-Y220 WeakPolarHBondContact CD2-OH 3.48Å; M218-Y220 VanDerWaalsContact C-N 3.27Å; M218-Y220 HydrophobicContact CB-CE1 4.3Å; M218-Y220 HydrophobicContact CB-CE2 4.38Å; M218-Y220 HydrophobicContact SD-CE2 4.03Å; Y220-V222 HydrophobicContact CD2-CG2 4.14Å; Y220-V222 HydrophobicContact CE2-CG2 3.88Å
221S94.2Very high87.8Confident52 Ų5266.1 Ų66.136%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-83.9150.5173.368.10000112.1D194 V195 A196D194-S221 PolarHBondContact O-N 2.81Å; D194-S221 PolarHBondContact O-OG 2.94Å; V195-S221 WeakPolarHBondContact CA-O 3.28Å; V195-S221 WeakPolarHBondContact CG2-OG 3.4Å; A196-S221 PolarHBondContact N-O 3.37Å
222V95.9Very high88.3Confident56 Ų5665.1 Ų65.134%0.33936%0.362SS..EExtended strand (participates in β ladder)trans-118119.8177.8-1780000110.1A196 P198 L208 M218 Y220A196-V222 HydrophobicContact CB-CG2 4.44Å; A196-V222 CarbonylContact O-C 3.56Å; A196-V222 WeakPolarHBondContact O-CA 3.33Å; P198-V222 HydrophobicContact CG-CG1 3.81Å; L208-V222 HydrophobicContact CD1-CG1 4.23Å; L208-V222 HydrophobicContact CD1-CG2 4.39Å; M218-V222 HydrophobicContact CE-CG2 3.93Å; M218-V222 HydrophobicContact SD-CG2 4.13Å; Y220-V222 HydrophobicContact CD2-CG2 4.14Å; Y220-V222 HydrophobicContact CE2-CG2 3.88Å
223V97.4Very high89.1Confident43 Ų4365.5 Ų65.526%0.26136%0.364SS..  trans-122.9102.5179.3-177.10000110V195 A196 M197V195-V223 HydrophobicContact CG1-CB 4.18Å; V195-V223 HydrophobicContact CG1-CG2 3.82Å; A196-V223 PolarHBondContact O-N 3.4Å; M197-V223 VanDerWaalsContact CA-O 3.23Å; M197-V223 WeakPolarHBondContact CA-O 3.43Å; M197-V223 HydrophobicContact CE-CB 4.07Å; M197-V223 HydrophobicContact CE-CG1 3.78Å; M197-V223 HydrophobicContact CG-CB 4.31Å
224V98.3Very high89.9Confident62 Ų6260.1 Ų60.138%0.37634%0.339SS..  trans-70.5132.4179.8-176.80000110.2P198 K200 Q205P198-V224 HydrophobicContact CG-CG2 4.16Å; P198-V224 WeakPolarHBondContact O-CA 3.39Å; K200-V224 HydrophobicContact CB-CG1 3.73Å; K200-V224 HydrophobicContact CG-CG1 4.16Å; Q205-V224 HydrophobicContact CG-CG1 4.34Å; Q205-V224 HydrophobicContact CG-CG2 4.11Å
225W98.6Very high90.9Very high0 Ų054.6 Ų54.60%031%0.309CS..BIsolated β-bridgetrans-121.5151.5178.566.9-83.1000111.6T12 T75 M78 I177 M197 P198 R199 K200 D230 I231T12-W225 HydrophobicContact CG2-CH2 4.37Å; T12-W225 HydrophobicContact CG2-CZ2 4.02Å; T75-W225 HydrophobicContact CG2-CH2 4Å; T75-W225 HydrophobicContact CG2-CZ3 3.61Å; M78-W225 HydrophobicContact CE-CH2 4.42Å; M78-W225 HydrophobicContact CE-CZ3 4.45Å; I177-W225 HydrophobicContact CG2-CZ2 3.85Å; M197-W225 VanDerWaalsContact C-CD1 3.44Å; M197-W225 HydrophobicContact CE-CB 4.33Å; M197-W225 PolarHBondContact O-NE1 3.01Å; P198-W225 VanDerWaalsContact C-CD1 3.42Å; P198-W225 VanDerWaalsContact O-CD1 3.31Å; P198-W225 PolarHBondContact O-N 3.2Å; R199-W225 CarbonylContact C-O 3.59Å; R199-W225 WeakPolarHBondContact CA-O 3.4Å; R199-W225 HydrophobicContact CB-CD2 4.36Å; R199-W225 HydrophobicContact CB-CH2 4.11Å; R199-W225 HydrophobicContact CB-CZ2 3.5Å; R199-W225 VanDerWaalsContact CB-CZ2 3.5Å; R199-W225 HydrophobicContact CG-CD2 4.27Å; R199-W225 HydrophobicContact CG-CE3 4.32Å; R199-W225 HydrophobicContact CG-CH2 3.72Å; R199-W225 HydrophobicContact CG-CZ2 3.65Å; R199-W225 HydrophobicContact CG-CZ3 4.07Å; K200-W225 WeakPolarHBondContact CB-O 3.5Å; K200-W225 PolarHBondContact N-O 3.4Å; W225-D230 HydrophobicContact CB-CB 4.01Å; W225-I231 HydrophobicContact CB-CG1 3.97Å; W225-I231 HydrophobicContact CD2-CD1 3.83Å; W225-I231 HydrophobicContact CD2-CG1 4.17Å; W225-I231 HydrophobicContact CE3-CD1 3.9Å; W225-I231 HydrophobicContact CE3-CG1 4.37Å; W225-I231 HydrophobicContact CG-CD1 4.15Å; W225-I231 HydrophobicContact CG-CG1 4Å; W225-I231 HydrophobicContact CZ3-CD1 4.36Å
226S98.1Very high92.5Very high54 Ų5450.9 Ų50.938%0.37829%0.288SS..SBendtrans-120.6-21.1173.6-50.60000112.3K200 D230K200-S226 WeakPolarHBondContact CB-OG 3.18Å; K200-S226 WeakPolarHBondContact CD-OG 3.29Å; S226-D230 WeakPolarHBondContact CA-OD2 3.45Å; S226-D230 PolarHBondContact N-OD2 3.35Å
227S98.6Very high93.9Very high23 Ų2351.5 Ų51.516%0.16129%0.289CS..SBendtrans-142.8163.417870.20000111.5P76 V229 D230P76-S227 CarbonylContact O-C 3.36Å; P76-S227 WeakPolarHBondContact O-CA 3.5Å; P76-S227 VanDerWaalsContact O-CB 3.24Å; P76-S227 WeakPolarHBondContact O-CB 3.17Å; S227-V229 PolarHBondContact O-N 3.04Å; S227-V229 PolarHBondContact OG-N 2.93Å; S227-D230 PolarHBondContact N-OD2 2.9Å; S227-D230 WeakPolarHBondContact O-CB 3.48Å; S227-D230 PolarHBondContact O-N 3.13Å; S227-D230 VanDerWaalsContact O-N 3.15Å; S227-D230 PolarHBondContact OG-OD2 3.43Å
228G98.6Very high95.3Very high0 Ų046.8 Ų46.80%026%0.257CS..Hα-helixtrans-60.5-22.4171.400000113.4P76 G77 I231 I232P76-G228 PolarHBondContact O-N 2.96Å; G77-G228 WeakPolarHBondContact O-CA 3.29Å; G228-I231 WeakPolarHBondContact O-CB 3.35Å; G228-I231 PolarHBondContact O-N 2.73Å; G228-I232 VanDerWaalsContact O-CG1 3.29Å; G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.95Å
229V98.3Very high96.1Very high72 Ų7246 Ų4644%0.43625%0.254SS..Hα-helixtrans-67.9-35.5175.61800000111.9S227 I231 I232 S233S227-V229 PolarHBondContact O-N 3.04Å; S227-V229 PolarHBondContact OG-N 2.93Å; V229-I231 VanDerWaalsContact C-N 3.29Å; V229-I231 PolarHBondContact O-N 2.77Å; V229-I232 PolarHBondContact O-N 2.95Å; V229-S233 WeakPolarHBondContact O-CB 3.42Å; V229-S233 PolarHBondContact O-N 3.07Å; V229-S233 PolarHBondContact O-OG 3.37Å
230D98.4Very high96Very high65 Ų6548.2 Ų48.235%0.34826%0.261SS..Hα-helixtrans-64.4-40.7174.8-55.1-39.2000110W225 S226 S227 S233 H234W225-D230 HydrophobicContact CB-CB 4.01Å; S226-D230 WeakPolarHBondContact CA-OD2 3.45Å; S226-D230 PolarHBondContact N-OD2 3.35Å; S227-D230 PolarHBondContact N-OD2 2.9Å; S227-D230 WeakPolarHBondContact O-CB 3.48Å; S227-D230 PolarHBondContact O-N 3.13Å; S227-D230 VanDerWaalsContact O-N 3.15Å; S227-D230 PolarHBondContact OG-OD2 3.43Å; D230-S233 PolarHBondContact O-N 3.26Å; D230-H234 PolarHBondContact O-N 3.47Å
231I98.7Very high94.3Very high0 Ų055 Ų550%030%0.299CS..Hα-helixtrans-64.8-48.3176.4-55.6170.6000110.2L81 I177 M197 W225 G228 V229 S233 H234 L235L81-I231 HydrophobicContact CD1-CB 4.23Å; L81-I231 HydrophobicContact CD1-CG2 3.83Å; L81-I231 HydrophobicContact CD2-CB 3.87Å; L81-I231 HydrophobicContact CD2-CD1 3.73Å; L81-I231 HydrophobicContact CD2-CG1 4.4Å; L81-I231 HydrophobicContact CD2-CG2 3.74Å; L81-I231 HydrophobicContact CG-CG2 4.47Å; I177-I231 HydrophobicContact CG1-CD1 4.48Å; I177-I231 HydrophobicContact CG2-CD1 3.68Å; M197-I231 HydrophobicContact CE-CB 4.31Å; M197-I231 HydrophobicContact CE-CG1 3.95Å; M197-I231 HydrophobicContact CE-CG2 4.41Å; M197-I231 HydrophobicContact SD-CG1 4.48Å; M197-I231 HydrophobicContact SD-CG2 4.17Å; W225-I231 HydrophobicContact CB-CG1 3.97Å; W225-I231 HydrophobicContact CD2-CD1 3.83Å; W225-I231 HydrophobicContact CD2-CG1 4.17Å; W225-I231 HydrophobicContact CE3-CD1 3.9Å; W225-I231 HydrophobicContact CE3-CG1 4.37Å; W225-I231 HydrophobicContact CG-CD1 4.15Å; W225-I231 HydrophobicContact CG-CG1 4Å; W225-I231 HydrophobicContact CZ3-CD1 4.36Å; G228-I231 WeakPolarHBondContact O-CB 3.35Å; G228-I231 PolarHBondContact O-N 2.73Å; V229-I231 VanDerWaalsContact C-N 3.29Å; V229-I231 PolarHBondContact O-N 2.77Å; I231-S233 VanDerWaalsContact C-N 3.27Å; I231-S233 PolarHBondContact O-N 3.37Å; I231-H234 PolarHBondContact O-N 3.08Å; I231-H234 VanDerWaalsContact O-N 3.16Å; I231-L235 HydrophobicContact CG2-CD1 4Å; I231-L235 HydrophobicContact CG2-CG 4.1Å; I231-L235 WeakPolarHBondContact O-CG 3.15Å; I231-L235 PolarHBondContact O-N 3.09Å
232I98.6Very high94.3Very high19 Ų1955.1 Ų55.110%0.09730%0.296CS..Hα-helixtrans-54.5-46.3176.3-67.3166.3000110.7E80 L81 F84 G228 V229 H234 L235 Q236E80-I232 HydrophobicContact CB-CD1 3.92Å; L81-I232 HydrophobicContact CB-CD1 4.23Å; L81-I232 HydrophobicContact CB-CG1 4.01Å; L81-I232 HydrophobicContact CD1-CG1 3.68Å; L81-I232 HydrophobicContact CG-CG1 4.46Å; F84-I232 HydrophobicContact CB-CD1 4.36Å; F84-I232 HydrophobicContact CB-CG1 4.18Å; F84-I232 HydrophobicContact CD1-CG1 4.44Å; F84-I232 HydrophobicContact CD1-CG2 4.47Å; F84-I232 HydrophobicContact CD2-CG2 4.05Å; F84-I232 HydrophobicContact CE2-CG2 4.33Å; F84-I232 HydrophobicContact CG-CG1 4.3Å; F84-I232 HydrophobicContact CG-CG2 4.12Å; G228-I232 VanDerWaalsContact O-CG1 3.29Å; G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.95Å; V229-I232 PolarHBondContact O-N 2.95Å; I232-H234 VanDerWaalsContact C-N 3.28Å; I232-H234 PolarHBondContact O-N 3.19Å; I232-L235 PolarHBondContact O-N 3.49Å; I232-Q236 HydrophobicContact CG2-CG 4.09Å; I232-Q236 WeakPolarHBondContact O-CB 3.4Å; I232-Q236 VanDerWaalsContact O-CG 3.29Å; I232-Q236 WeakPolarHBondContact O-CG 3.49Å; I232-Q236 PolarHBondContact O-N 3.44Å
233S97.9Very high94.2Very high66 Ų6655.1 Ų55.146%0.46229%0.293SS..Hα-helixtrans-59.7-41.1-177.9-58.70000111.5V229 D230 I231 F237V229-S233 WeakPolarHBondContact O-CB 3.42Å; V229-S233 PolarHBondContact O-N 3.07Å; V229-S233 PolarHBondContact O-OG 3.37Å; D230-S233 PolarHBondContact O-N 3.26Å; I231-S233 VanDerWaalsContact C-N 3.27Å; I231-S233 PolarHBondContact O-N 3.37Å; S233-F237 PolarHBondContact O-N 3.36Å
234H97.4Very high94Very high36 Ų3655.7 Ų55.717%0.16730%0.295CS..Hα-helixtrans-69.5-46.2175.3-171.267.4000112.1M197 D230 I231 I232 Q236 F237 L238M197-H234 HydrophobicContact CE-CB 4.17Å; D230-H234 PolarHBondContact O-N 3.47Å; I231-H234 PolarHBondContact O-N 3.08Å; I231-H234 VanDerWaalsContact O-N 3.16Å; I232-H234 VanDerWaalsContact C-N 3.28Å; I232-H234 PolarHBondContact O-N 3.19Å; H234-Q236 VanDerWaalsContact C-N 3.27Å; H234-Q236 PolarHBondContact O-N 2.92Å; H234-F237 WeakPolarHBondContact O-CB 3.32Å; H234-F237 PolarHBondContact O-N 3.23Å; H234-L238 PolarHBondContact O-N 2.62Å; H234-L238 VanDerWaalsContact O-N 3.14Å
235L97.8Very high93.8Very high0 Ų055.4 Ų55.40%029%0.29CS..Hα-helixtrans-62.2-34.6178.5-65.2-175.7000112.6L5 L81 F84 F92 V175 I231 I232 F237 L238 I239L5-L235 HydrophobicContact CD1-CD1 3.9Å; L5-L235 HydrophobicContact CD2-CD1 4.27Å; L5-L235 HydrophobicContact CD2-CD2 3.65Å; L81-L235 HydrophobicContact CD1-CD1 3.84Å; F84-L235 HydrophobicContact CD1-CD1 4.48Å; F84-L235 HydrophobicContact CE1-CB 3.81Å; F84-L235 HydrophobicContact CE1-CD1 4.22Å; F84-L235 HydrophobicContact CZ-CB 4.43Å; F92-L235 HydrophobicContact CE1-CD2 4.25Å; F92-L235 HydrophobicContact CZ-CB 4.09Å; F92-L235 HydrophobicContact CZ-CD1 4.39Å; V175-L235 HydrophobicContact CG2-CD2 4.32Å; I231-L235 HydrophobicContact CG2-CD1 4Å; I231-L235 HydrophobicContact CG2-CG 4.1Å; I231-L235 WeakPolarHBondContact O-CG 3.15Å; I231-L235 PolarHBondContact O-N 3.09Å; I232-L235 PolarHBondContact O-N 3.49Å; L235-F237 VanDerWaalsContact C-N 3.27Å; L235-F237 PolarHBondContact O-N 3.09Å; L235-L238 HydrophobicContact CD2-CD1 4.23Å; L235-L238 PolarHBondContact O-N 3.2Å; L235-I239 WeakPolarHBondContact O-CG1 3.3Å; L235-I239 PolarHBondContact O-N 3.16Å
236Q97Very high93.5Very high79 Ų7958.8 Ų58.837%0.36931%0.308SS..Hα-helixtrans-64.7-30.5174.3-78.3179.4-8.400113.1F84 I232 H234 K240F84-Q236 HydrophobicContact CE2-CG 3.61Å; F84-Q236 HydrophobicContact CZ-CG 3.67Å; I232-Q236 HydrophobicContact CG2-CG 4.09Å; I232-Q236 WeakPolarHBondContact O-CB 3.4Å; I232-Q236 VanDerWaalsContact O-CG 3.29Å; I232-Q236 WeakPolarHBondContact O-CG 3.49Å; I232-Q236 PolarHBondContact O-N 3.44Å; H234-Q236 VanDerWaalsContact C-N 3.27Å; H234-Q236 PolarHBondContact O-N 2.92Å; Q236-K240 WeakPolarHBondContact O-CD 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.44Å
237F93.8Very high93.2Very high124 Ų12459.1 Ų59.154%0.54430%0.304SS..Hα-helixtrans-69.6-49.4172.5177.9-96.4000109.7S233 H234 L235 I239 K240 D241S233-F237 PolarHBondContact O-N 3.36Å; H234-F237 WeakPolarHBondContact O-CB 3.32Å; H234-F237 PolarHBondContact O-N 3.23Å; L235-F237 VanDerWaalsContact C-N 3.27Å; L235-F237 PolarHBondContact O-N 3.09Å; F237-I239 VanDerWaalsContact C-N 3.29Å; F237-I239 PolarHBondContact O-N 3.2Å; F237-K240 PolarHBondContact O-N 3.39Å; F237-K240 VanDerWaalsContact O-N 3.16Å; F237-D241 WeakPolarHBondContact CZ-OD2 3.25Å
238L93Very high92.8Very high25 Ų2561.7 Ų61.713%0.13131%0.314CS..Hα-helixtrans-61.7-27.3-177.3-62.7-179.4000115.3I3 V175 H234 L235I3-L238 HydrophobicContact CD1-CB 3.75Å; I3-L238 HydrophobicContact CD1-CD1 4.32Å; V175-L238 HydrophobicContact CG2-CD1 3.92Å; H234-L238 PolarHBondContact O-N 2.62Å; H234-L238 VanDerWaalsContact O-N 3.14Å; L235-L238 HydrophobicContact CD2-CD1 4.23Å; L235-L238 PolarHBondContact O-N 3.2Å
239I91.9Very high92.4Very high45 Ų4566.5 Ų66.523%0.23134%0.338CS..THydrogen-bonded Turntrans-96.4-3.8-179.867.5177.5000114.4I3 F84 K91 F92 L235 F237I3-I239 HydrophobicContact CD1-CG2 4.15Å; F84-I239 HydrophobicContact CZ-CD1 3.82Å; K91-I239 HydrophobicContact CB-CG2 4.16Å; K91-I239 HydrophobicContact CG-CG2 4.48Å; F92-I239 HydrophobicContact CE1-CG2 3.8Å; F92-I239 HydrophobicContact CE2-CG2 4.15Å; F92-I239 HydrophobicContact CZ-CD1 4.44Å; F92-I239 HydrophobicContact CZ-CG2 3.34Å; L235-I239 WeakPolarHBondContact O-CG1 3.3Å; L235-I239 PolarHBondContact O-N 3.16Å; F237-I239 VanDerWaalsContact C-N 3.29Å; F237-I239 PolarHBondContact O-N 3.2Å
240K81.4Confident91.9Very high168 Ų16866 Ų6673%0.7333%0.33SS*.THydrogen-bonded Turntrans-89.3-27.8174.4-79.1175.2-175.1176.40112.2Q236 F237Q236-K240 WeakPolarHBondContact O-CD 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.44Å; F237-K240 PolarHBondContact O-N 3.39Å; F237-K240 VanDerWaalsContact O-N 3.16Å
241D56.5Low91.3Very high165 Ų16566.1 Ų66.188%0.88233%0.328SS*.  trans-81.20171.9-63.1-24.8000111.1F237F237-D241 WeakPolarHBondContact CZ-OD2 3.25Å

Retrieved 241 of 241 residues in 78.1 ms (Link to these results)

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