A0A5K4EZM2_SCHMA Loading...

Checkpoint protein

AlphaFold DB , UniProt , Accession A0A5K4EZM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 356 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
1M88.9Confident92.4Very high105 Ų10555 Ų5552%0.51729%0.291SS..  0118.70-67.9-171.6-59.100111.2E70 G71 I72 I79 V181M1-E70 CarbonylContact C-O 3.48Å; M1-E70 WeakPolarHBondContact CA-O 3.02Å; M1-G71 WeakPolarHBondContact CA-O 3.45Å; M1-G71 WeakPolarHBondContact CG-O 3.3Å; M1-G71 PolarHBondContact N-O 3.08Å; M1-I72 HydrophobicContact CG-CG1 3.62Å; M1-I72 HydrophobicContact SD-CD1 4.27Å; M1-I72 HydrophobicContact SD-CG1 3.71Å; M1-I79 HydrophobicContact CB-CD1 4.25Å; M1-I79 HydrophobicContact CG-CD1 4.38Å; M1-I79 HydrophobicContact CG-CG1 4.43Å; M1-I79 HydrophobicContact SD-CG1 4.37Å; M1-I79 HydrophobicContact SD-CG2 4.21Å; M1-V181 HydrophobicContact CE-CG1 4.02Å; M1-V181 HydrophobicContact CE-CG2 4.42Å; M1-V181 HydrophobicContact SD-CG1 4.29Å
2K91.1Very high92.3Very high100 Ų10051.7 Ų51.744%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-141.5128.7175.9-178.6-176.6172.4-164.30107.6I68 C69 E70K2-I68 HydrophobicContact CD-CG2 4.18Å; K2-I68 HydrophobicContact CG-CG2 4.36Å; K2-C69 WeakPolarHBondContact O-CA 3.36Å; K2-E70 HydrophobicContact CB-CB 4.2Å; K2-E70 PolarHBondContact N-O 3.37Å; K2-E70 IonicContact NZ-OE1 2.78Å; K2-E70 PolarHBondContact NZ-OE1 2.98Å; K2-E70 PolarHBondContact O-N 3.18Å
3F94Very high92.3Very high6 Ų647.9 Ų47.93%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-134.9132177.1171-106.8000109.7I5 L34 I68 C69 I79 I147 K148 L149 L157F3-I5 HydrophobicContact CE1-CD1 4.45Å; F3-I5 HydrophobicContact CE1-CG1 4.19Å; F3-I5 HydrophobicContact CE2-CG2 3.58Å; F3-I5 HydrophobicContact CZ-CB 4.29Å; F3-I5 HydrophobicContact CZ-CD1 3.79Å; F3-I5 HydrophobicContact CZ-CG1 3.74Å; F3-I5 HydrophobicContact CZ-CG2 3.68Å; F3-L34 HydrophobicContact CB-CD1 4.45Å; F3-L34 HydrophobicContact CD1-CD1 3.81Å; F3-L34 HydrophobicContact CD2-CB 4.38Å; F3-L34 HydrophobicContact CD2-CD1 3.74Å; F3-L34 HydrophobicContact CD2-CD2 4.38Å; F3-L34 HydrophobicContact CD2-CG 4.39Å; F3-L34 HydrophobicContact CE1-CD1 3.86Å; F3-L34 HydrophobicContact CE1-CD2 4.36Å; F3-L34 HydrophobicContact CE2-CB 4.34Å; F3-L34 HydrophobicContact CE2-CD1 3.78Å; F3-L34 HydrophobicContact CE2-CD2 3.64Å; F3-L34 HydrophobicContact CE2-CG 4.12Å; F3-L34 HydrophobicContact CG-CD1 3.73Å; F3-L34 HydrophobicContact CZ-CD1 3.83Å; F3-L34 HydrophobicContact CZ-CD2 3.61Å; F3-L34 HydrophobicContact CZ-CG 4.31Å; F3-I68 CarbonylContact C-O 3.59Å; F3-I68 VanDerWaalsContact CA-O 3.31Å; F3-I68 WeakPolarHBondContact CA-O 3.24Å; F3-C69 HydrophobicContact CD2-CB 4.46Å; F3-I79 HydrophobicContact CB-CD1 4.25Å; F3-I147 HydrophobicContact CE1-CG2 4.11Å; F3-K148 VanDerWaalsContact O-CA 3.28Å; F3-K148 WeakPolarHBondContact O-CA 3.35Å; F3-L149 HydrophobicContact CB-CB 3.8Å; F3-L149 HydrophobicContact CD1-CB 4.32Å; F3-L149 PolarHBondContact O-N 2.74Å; F3-L157 HydrophobicContact CD1-CD2 4.27Å; F3-L157 HydrophobicContact CE1-CD2 4.23Å
4R95.1Very high92Very high78 Ų7853.8 Ų53.829%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-152.2127174.3175.8-179.4174.4175.6-12.8109.5E66 R67 I68 I147 K148R4-E66 IonicContact NH2-OE2 3.4Å; R4-R67 CarbonylContact O-C 3.5Å; R4-R67 WeakPolarHBondContact O-CA 3.46Å; R4-I68 HydrophobicContact CB-CB 4.28Å; R4-I68 PolarHBondContact N-O 3.01Å; R4-I68 PolarHBondContact O-N 3.21Å; R4-I147 CarbonylContact C-O 3.52Å; R4-I147 VanDerWaalsContact CA-O 3.29Å; R4-I147 WeakPolarHBondContact CA-O 3.34Å; R4-K148 HydrophobicContact CB-CG 3.93Å; R4-K148 VanDerWaalsContact CD-CE 3.48Å; R4-K148 HydrophobicContact CG-CD 4.41Å; R4-K148 HydrophobicContact CG-CG 3.74Å
5I95.6Very high91.9Very high2 Ų252.1 Ų52.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-125.6147.5167.557.1172.7000109.5F3 L39 L60 F64 E66 R67 K146 I147F3-I5 HydrophobicContact CE1-CD1 4.45Å; F3-I5 HydrophobicContact CE1-CG1 4.19Å; F3-I5 HydrophobicContact CE2-CG2 3.58Å; F3-I5 HydrophobicContact CZ-CB 4.29Å; F3-I5 HydrophobicContact CZ-CD1 3.79Å; F3-I5 HydrophobicContact CZ-CG1 3.74Å; F3-I5 HydrophobicContact CZ-CG2 3.68Å; I5-L39 HydrophobicContact CD1-CD1 3.81Å; I5-L60 HydrophobicContact CG2-CD1 4.12Å; I5-F64 HydrophobicContact CB-CB 4.07Å; I5-F64 HydrophobicContact CB-CD1 3.93Å; I5-F64 HydrophobicContact CB-CG 4.01Å; I5-F64 HydrophobicContact CD1-CD1 3.93Å; I5-F64 HydrophobicContact CD1-CD2 4.05Å; I5-F64 HydrophobicContact CD1-CE1 3.84Å; I5-F64 HydrophobicContact CD1-CE2 3.95Å; I5-F64 HydrophobicContact CD1-CG 4.03Å; I5-F64 HydrophobicContact CD1-CZ 3.85Å; I5-F64 HydrophobicContact CG1-CD1 4.08Å; I5-F64 HydrophobicContact CG1-CE1 4.25Å; I5-F64 HydrophobicContact CG1-CG 4.41Å; I5-F64 HydrophobicContact CG2-CB 4.48Å; I5-E66 CarbonylContact C-O 3.59Å; I5-E66 VanDerWaalsContact CA-O 3.32Å; I5-E66 WeakPolarHBondContact CA-O 3.45Å; I5-R67 HydrophobicContact CG2-CB 4.06Å; I5-K146 CarbonylContact O-C 3.57Å; I5-K146 WeakPolarHBondContact O-CA 3.48Å; I5-I147 HydrophobicContact CD1-CB 4.18Å; I5-I147 HydrophobicContact CD1-CD1 4.22Å; I5-I147 HydrophobicContact CG1-CB 3.75Å; I5-I147 HydrophobicContact CG1-CG1 4.39Å; I5-I147 PolarHBondContact N-O 3.32Å; I5-I147 PolarHBondContact O-N 2.92Å
6K95.3Very high91.9Very high38 Ų3849.1 Ų49.117%0.16526%0.256CS..EExtended strand (participates in β ladder)trans-146.9140.4176.6180-170.3162.8-147.20111.2N8 E66 L145 K146K6-N8 WeakPolarHBondContact CE-OD1 3.3Å; K6-E66 HydrophobicContact CB-CB 3.95Å; K6-E66 WeakPolarHBondContact CD-OE1 3.47Å; K6-E66 WeakPolarHBondContact CD-OE2 3.3Å; K6-E66 PolarHBondContact N-O 3.19Å; K6-E66 IonicContact NZ-OE1 3.59Å; K6-E66 PolarHBondContact NZ-OE1 2.88Å; K6-E66 IonicContact NZ-OE2 3.51Å; K6-E66 PolarHBondContact O-N 3.36Å; K6-L145 CarbonylContact C-O 3.5Å; K6-L145 VanDerWaalsContact CA-O 3.26Å; K6-L145 WeakPolarHBondContact CA-O 3.27Å; K6-K146 HydrophobicContact CB-CB 4.23Å; K6-K146 HydrophobicContact CB-CG 4.1Å; K6-K146 HydrophobicContact CG-CB 4.12Å; K6-K146 HydrophobicContact CG-CG 4.36Å
7T95.1Very high91.9Very high4 Ų446.4 Ų46.43%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-136.4143.1168.1-1720000109.9D9 C12 I13 L63 F64 G144 L145T7-D9 PolarHBondContact OG1-N 3.09Å; T7-C12 HydrophobicContact CG2-CB 4.35Å; T7-I13 HydrophobicContact CG2-CD1 4.45Å; T7-I13 HydrophobicContact CG2-CG1 3.66Å; T7-L63 WeakPolarHBondContact CB-O 3.32Å; T7-L63 PolarHBondContact OG1-O 2.94Å; T7-L63 VanDerWaalsContact OG1-O 3.12Å; T7-F64 HydrophobicContact CG2-CD1 3.85Å; T7-F64 HydrophobicContact CG2-CE1 3.68Å; T7-G144 WeakPolarHBondContact O-CA 3.2Å; T7-L145 HydrophobicContact CG2-CB 4.07Å; T7-L145 PolarHBondContact N-O 3.35Å; T7-L145 PolarHBondContact O-N 3.42Å
8N92.5Very high91.8Very high87 Ų8745.1 Ų45.147%0.46524%0.236SC..  trans-115.210.6175.4-73.5-1.9000111.3K6 P10 L143K6-N8 WeakPolarHBondContact CE-OD1 3.3Å; N8-P10 WeakPolarHBondContact O-CD 3.38Å; N8-L143 CarbonylContact C-O 3.56Å; N8-L143 WeakPolarHBondContact CA-O 3.45Å; N8-L143 VanDerWaalsContact O-O 3.12Å
9D91.9Very high91.8Very high77 Ų7742.7 Ų42.741%0.41222%0.223SC..  trans-94.7114.4175.417323.8000109.6T7 G11 C12 I13T7-D9 PolarHBondContact OG1-N 3.09Å; D9-G11 PolarHBondContact O-N 3.38Å; D9-G11 PolarHBondContact OD1-N 2.96Å; D9-C12 HydrophobicContact CB-CB 4.06Å; D9-C12 PolarHBondContact O-N 2.87Å; D9-C12 PolarHBondContact OD2-N 3.42Å; D9-C12 VanDerWaalsContact OD2-N 3.13Å; D9-C12 PolarHBondContact OD2-SG 3.01Å; D9-I13 WeakPolarHBondContact O-CG1 3.3Å; D9-I13 PolarHBondContact O-N 2.82Å; D9-I13 VanDerWaalsContact O-N 3.09Å
10P88.5Confident91.9Very high68 Ų6840.6 Ų40.644%0.44221%0.212SC..Hα-helixtrans-55.1-33.1175.6-24.934.9000113.5N8 I13 E14N8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-I13 PolarHBondContact O-N 2.81Å; P10-E14 PolarHBondContact O-N 2.81Å
11G88.9Confident91.9Very high40 Ų4040.9 Ų40.941%0.41221%0.212SC..Hα-helixtrans-65.2-46.3177.900000112.1D9 I13 E14 N15D9-G11 PolarHBondContact O-N 3.38Å; D9-G11 PolarHBondContact OD1-N 2.96Å; G11-I13 VanDerWaalsContact C-N 3.32Å; G11-I13 PolarHBondContact O-N 3.24Å; G11-E14 PolarHBondContact O-N 3.17Å; G11-N15 WeakPolarHBondContact O-CB 3.38Å; G11-N15 PolarHBondContact O-N 3.27Å
12C91.3Very high92.1Very high15 Ų1536.2 Ų36.210%0.10119%0.189CC..Hα-helixtrans-60.2-39.1172.1-72.60000112.8T7 D9 N15 F16 L63T7-C12 HydrophobicContact CG2-CB 4.35Å; D9-C12 HydrophobicContact CB-CB 4.06Å; D9-C12 PolarHBondContact O-N 2.87Å; D9-C12 PolarHBondContact OD2-N 3.42Å; D9-C12 VanDerWaalsContact OD2-N 3.13Å; D9-C12 PolarHBondContact OD2-SG 3.01Å; C12-N15 PolarHBondContact O-N 3.36Å; C12-F16 WeakPolarHBondContact O-CB 3.32Å; C12-F16 PolarHBondContact O-N 3Å; C12-L63 HydrophobicContact CB-CD2 4.12Å
13I91.4Very high92.2Very high3 Ų331.5 Ų31.52%0.01517%0.169CC..Hα-helixtrans-65.2-46177.8-62.1170.3000110.9T7 D9 P10 G11 F16 S17 L142 L145T7-I13 HydrophobicContact CG2-CD1 4.45Å; T7-I13 HydrophobicContact CG2-CG1 3.66Å; D9-I13 WeakPolarHBondContact O-CG1 3.3Å; D9-I13 PolarHBondContact O-N 2.82Å; D9-I13 VanDerWaalsContact O-N 3.09Å; P10-I13 PolarHBondContact O-N 2.81Å; G11-I13 VanDerWaalsContact C-N 3.32Å; G11-I13 PolarHBondContact O-N 3.24Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-S17 WeakPolarHBondContact O-CB 3.16Å; I13-S17 PolarHBondContact O-N 2.75Å; I13-L142 HydrophobicContact CD1-CB 4.2Å; I13-L142 HydrophobicContact CG2-CB 4.06Å; I13-L142 HydrophobicContact CG2-CD1 3.75Å; I13-L145 HydrophobicContact CD1-CB 3.94Å; I13-L145 HydrophobicContact CG1-CB 3.79Å; I13-L145 HydrophobicContact CG2-CB 4.48Å
14E89.2Confident92.1Very high130 Ų13032 Ų3261%0.60717%0.174SC*.Hα-helixtrans-62.6-44.9177.2-177.9173.1-172.500111.2P10 G11 F16 S17 N18P10-E14 PolarHBondContact O-N 2.81Å; G11-E14 PolarHBondContact O-N 3.17Å; E14-F16 PolarHBondContact O-N 3.13Å; E14-S17 PolarHBondContact O-N 2.79Å; E14-N18 PolarHBondContact O-N 3.4Å; E14-N18 PolarHBondContact O-ND2 3.18Å
15N89.7Confident91.9Very high29 Ų2930 Ų3016%0.15518%0.178CC..Hα-helixtrans-58.4-49.8175.5-172.422.8000111G11 C12 S17 N18 I19 L63 N344G11-N15 WeakPolarHBondContact O-CB 3.38Å; G11-N15 PolarHBondContact O-N 3.27Å; C12-N15 PolarHBondContact O-N 3.36Å; N15-S17 VanDerWaalsContact C-N 3.33Å; N15-S17 PolarHBondContact O-N 2.59Å; N15-N18 PolarHBondContact O-N 3.44Å; N15-N18 VanDerWaalsContact O-N 3.13Å; N15-I19 VanDerWaalsContact O-CG1 3.29Å; N15-I19 WeakPolarHBondContact O-CG1 3.33Å; N15-I19 PolarHBondContact O-N 3.02Å; N15-L63 HydrophobicContact CB-CD2 4.18Å; N15-L63 WeakPolarHBondContact ND2-CD2 3.47Å; N15-N344 PolarHBondContact ND2-ND2 2.83Å
16F92.5Very high91.8Very high3 Ų330 Ų301%0.01318%0.178CC..Hα-helixtrans-59.3-42.2176.3-176.3-108.5000112.4C12 I13 E14 N18 I19 V20 F41 L58 F64 L88 I92 L145 I147C12-F16 WeakPolarHBondContact O-CB 3.32Å; C12-F16 PolarHBondContact O-N 3Å; I13-F16 PolarHBondContact O-N 2.92Å; E14-F16 PolarHBondContact O-N 3.13Å; F16-N18 VanDerWaalsContact C-N 3.33Å; F16-N18 PolarHBondContact O-N 2.82Å; F16-I19 PolarHBondContact O-N 3.23Å; F16-V20 HydrophobicContact CD1-CG2 4.25Å; F16-V20 HydrophobicContact CD2-CG2 4.49Å; F16-V20 HydrophobicContact CE1-CG2 3.85Å; F16-V20 HydrophobicContact CE2-CG2 4.11Å; F16-V20 HydrophobicContact CZ-CG2 3.78Å; F16-V20 WeakPolarHBondContact O-CG2 3.12Å; F16-V20 PolarHBondContact O-N 3.42Å; F16-F41 HydrophobicContact CE2-CE2 4.3Å; F16-F41 HydrophobicContact CE2-CZ 4.17Å; F16-F41 HydrophobicContact CZ-CZ 4.26Å; F16-L58 HydrophobicContact CD2-CD2 3.78Å; F16-L58 HydrophobicContact CE2-CD2 3.96Å; F16-F64 HydrophobicContact CB-CZ 4.37Å; F16-F64 HydrophobicContact CD1-CZ 4.11Å; F16-F64 AromaticContact CD2-CE2 3.83Å; F16-F64 HydrophobicContact CD2-CE2 3.83Å; F16-F64 AromaticContact CD2-CZ 3.89Å; F16-F64 HydrophobicContact CD2-CZ 3.89Å; F16-F64 HydrophobicContact CE1-CZ 4.38Å; F16-F64 HydrophobicContact CE2-CE2 4.12Å; F16-F64 HydrophobicContact CE2-CZ 4.18Å; F16-F64 HydrophobicContact CG-CE2 4.21Å; F16-F64 AromaticContact CG-CZ 3.85Å; F16-F64 HydrophobicContact CG-CZ 3.85Å; F16-F64 HydrophobicContact CZ-CZ 4.41Å; F16-L88 HydrophobicContact CZ-CD2 4.36Å; F16-I92 HydrophobicContact CD1-CD1 3.83Å; F16-I92 HydrophobicContact CE1-CD1 3.87Å; F16-L145 HydrophobicContact CD1-CD2 3.71Å; F16-L145 HydrophobicContact CE1-CD2 4.14Å; F16-I147 HydrophobicContact CE1-CD1 3.87Å; F16-I147 HydrophobicContact CZ-CD1 4.15Å
17S91.5Very high91.6Very high4 Ų428.5 Ų28.53%0.02817%0.173CC..Hα-helixtrans-61.7-39.8175.4-177.50000112.4I13 E14 N15 Q21I13-S17 WeakPolarHBondContact O-CB 3.16Å; I13-S17 PolarHBondContact O-N 2.75Å; E14-S17 PolarHBondContact O-N 2.79Å; N15-S17 VanDerWaalsContact C-N 3.33Å; N15-S17 PolarHBondContact O-N 2.59Å; S17-Q21 WeakPolarHBondContact O-CB 3.22Å; S17-Q21 PolarHBondContact O-N 2.83Å
18N90.6Very high91.5Very high22 Ų2235.7 Ų35.712%0.11820%0.204CC..Hα-helixtrans-68.4-38.3177.7-71.7-35.3000111.4E14 N15 F16 Q21 M22 R320 I321E14-N18 PolarHBondContact O-N 3.4Å; E14-N18 PolarHBondContact O-ND2 3.18Å; N15-N18 PolarHBondContact O-N 3.44Å; N15-N18 VanDerWaalsContact O-N 3.13Å; F16-N18 VanDerWaalsContact C-N 3.33Å; F16-N18 PolarHBondContact O-N 2.82Å; N18-Q21 PolarHBondContact O-N 2.92Å; N18-M22 PolarHBondContact O-N 2.81Å; N18-R320 HydrophobicContact CB-CB 4.47Å; N18-R320 VanDerWaalsContact OD1-CD 3.29Å; N18-R320 WeakPolarHBondContact OD1-CD 3.33Å; N18-I321 HydrophobicContact CB-CD1 3.65Å; N18-I321 HydrophobicContact CB-CG1 3.64Å
19I91.8Very high91.6Very high0 Ų035.8 Ų35.80%020%0.204CC..Hα-helixtrans-62.8-51.8175.2-64164.4000109.8N15 F16 Q21 M22 I23 F41 L58 L63 I321 H345N15-I19 VanDerWaalsContact O-CG1 3.29Å; N15-I19 WeakPolarHBondContact O-CG1 3.33Å; N15-I19 PolarHBondContact O-N 3.02Å; F16-I19 PolarHBondContact O-N 3.23Å; I19-Q21 PolarHBondContact O-N 2.87Å; I19-M22 WeakPolarHBondContact O-CA 3.4Å; I19-M22 WeakPolarHBondContact O-CB 3.46Å; I19-M22 PolarHBondContact O-N 2.75Å; I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 2.81Å; I19-F41 HydrophobicContact CG2-CE2 4.44Å; I19-L58 HydrophobicContact CB-CD2 4.46Å; I19-L58 HydrophobicContact CD1-CD2 3.7Å; I19-L58 HydrophobicContact CD1-CG 4.08Å; I19-L58 HydrophobicContact CG2-CD1 4.15Å; I19-L58 HydrophobicContact CG2-CD2 3.95Å; I19-L58 HydrophobicContact CG2-CG 4.21Å; I19-L63 HydrophobicContact CD1-CD1 4.24Å; I19-I321 HydrophobicContact CG1-CD1 4.03Å; I19-H345 HydrophobicContact CD1-CB 4.15Å; I19-H345 WeakPolarHBondContact CD1-ND1 3.37Å; I19-H345 VanDerWaalsContact CG1-CE1 3.5Å; I19-H345 WeakPolarHBondContact CG1-CE1 3.45Å
20V93.5Very high91.8Very high0 Ų032.2 Ų32.20%019%0.185CC..Hα-helixtrans-57.3-38.6177168.10000111.1F16 I23 A24 F41 I85 L88 L89 I92F16-V20 HydrophobicContact CD1-CG2 4.25Å; F16-V20 HydrophobicContact CD2-CG2 4.49Å; F16-V20 HydrophobicContact CE1-CG2 3.85Å; F16-V20 HydrophobicContact CE2-CG2 4.11Å; F16-V20 HydrophobicContact CZ-CG2 3.78Å; F16-V20 WeakPolarHBondContact O-CG2 3.12Å; F16-V20 PolarHBondContact O-N 3.42Å; V20-I23 PolarHBondContact O-N 3.17Å; V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 2.88Å; V20-F41 HydrophobicContact CG2-CE2 4.41Å; V20-F41 HydrophobicContact CG2-CZ 4.01Å; V20-I85 HydrophobicContact CG1-CD1 3.83Å; V20-I85 HydrophobicContact CG1-CG1 4.06Å; V20-L88 HydrophobicContact CG1-CB 4.45Å; V20-L88 HydrophobicContact CG1-CD2 4.3Å; V20-L88 HydrophobicContact CG1-CG 4.1Å; V20-L88 HydrophobicContact CG2-CD2 3.96Å; V20-L88 HydrophobicContact CG2-CG 4.39Å; V20-L89 HydrophobicContact CG1-CB 3.81Å; V20-L89 HydrophobicContact CG1-CD1 4.17Å; V20-I92 HydrophobicContact CB-CD1 3.79Å; V20-I92 HydrophobicContact CG1-CD1 3.88Å; V20-I92 HydrophobicContact CG2-CD1 3.76Å
21Q92.2Very high92.2Very high47 Ų4729.5 Ų29.522%0.2217%0.167CC..Hα-helixtrans-66.1-40.1175.3-175.2165.810.500113S17 N18 I19 A24 G25 L89 R320S17-Q21 WeakPolarHBondContact O-CB 3.22Å; S17-Q21 PolarHBondContact O-N 2.83Å; N18-Q21 PolarHBondContact O-N 2.92Å; I19-Q21 PolarHBondContact O-N 2.87Å; Q21-A24 PolarHBondContact O-N 2.9Å; Q21-G25 PolarHBondContact O-N 2.91Å; Q21-L89 HydrophobicContact CB-CD1 3.71Å; Q21-L89 HydrophobicContact CB-CD2 4.28Å; Q21-L89 HydrophobicContact CG-CD1 4.32Å; Q21-L89 HydrophobicContact CG-CD2 4.19Å; Q21-R320 VanDerWaalsContact OE1-CZ 3.28Å
22M91.6Very high92.6Very high7 Ų728 Ų283%0.03415%0.149CC..Hα-helixtrans-59.7-49.1173.8173.81797100110.3N18 I19 A24 G25 F342 L347N18-M22 PolarHBondContact O-N 2.81Å; I19-M22 WeakPolarHBondContact O-CA 3.4Å; I19-M22 WeakPolarHBondContact O-CB 3.46Å; I19-M22 PolarHBondContact O-N 2.75Å; M22-A24 PolarHBondContact O-N 3.21Å; M22-G25 PolarHBondContact O-N 2.88Å; M22-G25 VanDerWaalsContact O-N 3.12Å; M22-F342 HydrophobicContact CE-CE2 3.96Å; M22-F342 HydrophobicContact CE-CZ 4.33Å; M22-F342 HydrophobicContact SD-CE2 3.8Å; M22-F342 HydrophobicContact SD-CZ 3.6Å; M22-F342 VanDerWaalsContact SD-CZ 3.6Å; M22-L347 HydrophobicContact CE-CB 4.17Å; M22-L347 HydrophobicContact CE-CD2 4.08Å; M22-L347 HydrophobicContact CG-CD2 4.46Å; M22-L347 HydrophobicContact SD-CD2 3.87Å
23I93.6Very high92.8Very high1 Ų128.1 Ų28.11%0.00515%0.148CC..Hα-helixtrans-63.2-40.8179.8-61.5-53.6000111.9I19 V20 G25 L26 A27 V30 F41 I43 C56 I85 L347I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 2.81Å; V20-I23 PolarHBondContact O-N 3.17Å; I23-G25 PolarHBondContact O-N 3.27Å; I23-L26 HydrophobicContact CD1-CD1 4.25Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.16Å; I23-A27 PolarHBondContact O-N 3.24Å; I23-V30 HydrophobicContact CG2-CG1 3.73Å; I23-F41 HydrophobicContact CG1-CB 4.33Å; I23-F41 HydrophobicContact CG1-CD2 4.19Å; I23-F41 HydrophobicContact CG1-CG 4.36Å; I23-F41 HydrophobicContact CG2-CB 4.17Å; I23-F41 HydrophobicContact CG2-CG 4.35Å; I23-I43 HydrophobicContact CG2-CD1 4.24Å; I23-C56 HydrophobicContact CD1-CB 3.51Å; I23-C56 HydrophobicContact CG1-CB 4.34Å; I23-I85 HydrophobicContact CB-CG1 4.48Å; I23-I85 HydrophobicContact CG2-CG1 4.11Å; I23-L347 HydrophobicContact CD1-CD1 4.1Å
24A93Very high92.8Very high17 Ų1728 Ų2814%0.1415%0.148CC..Hα-helixtrans-61.6-26.8174.800000113.7V20 Q21 M22 L26 I85 L89V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 2.88Å; Q21-A24 PolarHBondContact O-N 2.9Å; M22-A24 PolarHBondContact O-N 3.21Å; A24-L26 VanDerWaalsContact C-N 3.28Å; A24-L26 PolarHBondContact O-N 3.48Å; A24-I85 HydrophobicContact CB-CG1 4.32Å; A24-I85 HydrophobicContact CB-CG2 3.77Å; A24-L89 HydrophobicContact CB-CD2 3.87Å
25G91Very high92.8Very high35 Ų3523.7 Ų23.736%0.36113%0.129SC..Hα-helixtrans-70.9-22.8172.100000114Q21 M22 I23Q21-G25 PolarHBondContact O-N 2.91Å; M22-G25 PolarHBondContact O-N 2.88Å; M22-G25 VanDerWaalsContact O-N 3.12Å; I23-G25 PolarHBondContact O-N 3.27Å
26L92.2Very high92.6Very high2 Ų227 Ų271%0.0114%0.142CC..Hα-helixtrans-91.4-42.4-175.8-58.4178.1000112.4I23 A24 I43 Q314 L315 L347 Y349I23-L26 HydrophobicContact CD1-CD1 4.25Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.16Å; A24-L26 VanDerWaalsContact C-N 3.28Å; A24-L26 PolarHBondContact O-N 3.48Å; L26-I43 HydrophobicContact CB-CD1 3.5Å; L26-I43 HydrophobicContact CD1-CD1 4.02Å; L26-I43 HydrophobicContact CG-CD1 4.41Å; L26-Q314 HydrophobicContact CD2-CB 4.35Å; L26-Q314 PolarHBondContact O-NE2 3.4Å; L26-L315 HydrophobicContact CD2-CB 4.47Å; L26-L347 HydrophobicContact CD1-CD1 4.03Å; L26-L347 HydrophobicContact CD1-CD2 3.95Å; L26-Y349 HydrophobicContact CB-CE2 4.31Å; L26-Y349 HydrophobicContact CD1-CD2 4.03Å; L26-Y349 HydrophobicContact CD1-CE2 4.19Å; L26-Y349 HydrophobicContact CD2-CD2 4.35Å; L26-Y349 HydrophobicContact CD2-CE2 4.01Å; L26-Y349 HydrophobicContact CG-CE2 4.39Å
27A92.5Very high92.3Very high8 Ų832.4 Ų32.47%0.06617%0.171CC..  trans-153159-178.800000112.7I23 I43 I85I23-A27 PolarHBondContact O-N 3.24Å; A27-I43 HydrophobicContact CB-CB 4.42Å; A27-I43 HydrophobicContact CB-CD1 3.88Å; A27-I43 HydrophobicContact CB-CG1 4.16Å; A27-I43 HydrophobicContact CB-CG2 3.46Å; A27-I43 VanDerWaalsContact CB-CG2 3.46Å; A27-I85 WeakPolarHBondContact O-CG2 3.44Å
28K92.3Very high92.1Very high155 Ų15537.4 Ų37.467%0.67419%0.194SC*.SBendtrans-84.8-45.1176.9-65.7-176.5177.5-1770112.9I84 I85K28-I84 CarbonylContact O-C 3.41Å; K28-I84 WeakPolarHBondContact O-CA 3.45Å; K28-I85 PolarHBondContact O-N 2.87Å
29N94.2Very high92.2Very high88 Ų8836.6 Ų36.647%0.47119%0.189SC..EExtended strand (participates in β ladder)trans-103.3134.1178.2-60.9-43.7000108.6L83 I84N29-L83 WeakPolarHBondContact CA-O 3.3Å; N29-I84 WeakPolarHBondContact OD1-CG1 3.41Å
30V96.7Very high92.4Very high2 Ų236.8 Ų36.81%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-136.4150.6178-54.50000109.7I23 F41 I43 L83 I85I23-V30 HydrophobicContact CG2-CG1 3.73Å; V30-F41 HydrophobicContact CG2-CD1 3.96Å; V30-I43 HydrophobicContact CG1-CG1 4.05Å; V30-L83 HydrophobicContact CG2-CD2 4.08Å; V30-L83 HydrophobicContact CG2-CG 4.13Å; V30-L83 PolarHBondContact N-O 3.34Å; V30-L83 PolarHBondContact O-N 3.04Å; V30-I85 HydrophobicContact CG1-CB 4.09Å; V30-I85 HydrophobicContact CG1-CG2 4.2Å; V30-I85 HydrophobicContact CG2-CB 3.9Å; V30-I85 HydrophobicContact CG2-CD1 3.99Å; V30-I85 HydrophobicContact CG2-CG1 4.28Å
31I96.8Very high92.5Very high11 Ų1136.9 Ų36.96%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-94.8118.5169.2-54.7-55.7000107.7I42 F80 L81 E82 V182 F190I31-I42 HydrophobicContact CB-CB 4.21Å; I31-I42 PolarHBondContact N-O 3.27Å; I31-I42 PolarHBondContact O-N 3.03Å; I31-F80 HydrophobicContact CG2-CB 4.23Å; I31-F80 HydrophobicContact CG2-CD1 3.75Å; I31-F80 HydrophobicContact CG2-CG 4.49Å; I31-L81 CarbonylContact C-O 3.59Å; I31-L81 WeakPolarHBondContact CA-O 3.31Å; I31-E82 HydrophobicContact CD1-CB 3.5Å; I31-E82 VanDerWaalsContact CD1-CB 3.5Å; I31-E82 HydrophobicContact CD1-CG 3.72Å; I31-V182 HydrophobicContact CD1-CG2 4.2Å; I31-F190 HydrophobicContact CB-CD1 4.35Å; I31-F190 HydrophobicContact CB-CE1 4.41Å; I31-F190 HydrophobicContact CD1-CE1 4.26Å; I31-F190 HydrophobicContact CD1-CZ 4.22Å; I31-F190 HydrophobicContact CG1-CD1 3.89Å; I31-F190 HydrophobicContact CG1-CE1 3.48Å; I31-F190 VanDerWaalsContact CG1-CE1 3.48Å; I31-F190 HydrophobicContact CG1-CZ 3.91Å; I31-F190 HydrophobicContact CG2-CD1 4.39Å; I31-F190 HydrophobicContact CG2-CG 4.45Å
32L96.6Very high92.7Very high8 Ų834.9 Ų34.94%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-87.1109.3168.917864.1000107.7L34 L39 F41 L81 L83 L157L32-L34 HydrophobicContact CD1-CD2 3.8Å; L32-L34 HydrophobicContact CD2-CD1 4.15Å; L32-L34 HydrophobicContact CD2-CD2 3.91Å; L32-L34 HydrophobicContact CD2-CG 4.23Å; L32-L34 HydrophobicContact CG-CD1 4.29Å; L32-L34 HydrophobicContact CG-CD2 3.6Å; L32-L34 HydrophobicContact CG-CG 3.87Å; L32-L39 HydrophobicContact CD1-CD1 4.42Å; L32-L39 HydrophobicContact CD1-CD2 3.79Å; L32-L39 HydrophobicContact CD1-CG 3.87Å; L32-F41 HydrophobicContact CD1-CD1 4.05Å; L32-F41 HydrophobicContact CD1-CE1 3.75Å; L32-F41 HydrophobicContact CD1-CZ 4.18Å; L32-L81 HydrophobicContact CB-CB 4.39Å; L32-L81 PolarHBondContact N-O 3.12Å; L32-L81 PolarHBondContact O-N 3.32Å; L32-L83 HydrophobicContact CB-CD2 3.54Å; L32-L83 HydrophobicContact CD2-CD2 4.34Å; L32-L157 HydrophobicContact CD2-CD1 4.03Å
33H95.2Very high92.9Very high19 Ų1934.7 Ų34.79%0.08818%0.181CC..EExtended strand (participates in β ladder)trans-91.8124.2172.8175.4-140.9000109.1S40 I42 E78 F80H33-S40 PolarHBondContact N-O 2.95Å; H33-S40 PolarHBondContact O-N 2.74Å; H33-I42 HydrophobicContact CB-CD1 3.82Å; H33-I42 HydrophobicContact CB-CG1 4.48Å; H33-E78 IonicContact CE1-OE1 3.85Å; H33-E78 IonicContact NE2-OE1 3.72Å; H33-E78 IonicContact NE2-OE2 2.68Å; H33-F80 HydrophobicContact CB-CD1 4.01Å; H33-F80 HydrophobicContact CB-CE1 3.78Å; H33-F80 HydrophobicContact CB-CZ 4.38Å; H33-F80 AromaticContact CD2-CD1 3.97Å; H33-F80 AromaticContact CD2-CD2 3.92Å; H33-F80 AromaticContact CD2-CE1 3.47Å; H33-F80 VanDerWaalsContact CD2-CE1 3.47Å; H33-F80 WeakPolarHBondContact CD2-CE1 3.33Å; H33-F80 AromaticContact CD2-CE2 3.41Å; H33-F80 VanDerWaalsContact CD2-CE2 3.41Å; H33-F80 WeakPolarHBondContact CD2-CE2 3.27Å; H33-F80 AromaticContact CD2-CZ 3.16Å; H33-F80 WeakPolarHBondContact CD2-CZ 3.5Å; H33-F80 AromaticContact CE1-CZ 4Å; H33-F80 AromaticContact CG-CE1 3.57Å; H33-F80 AromaticContact CG-CZ 3.67Å; H33-F80 AromaticContact NE2-CE2 3.67Å; H33-F80 AromaticContact NE2-CZ 3.45Å; H33-F80 WeakPolarHBondContact NE2-CZ 3.19Å
34L92.9Very high92.8Very high1 Ų138.2 Ų38.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-122.6125.2-175.6-56.4171.9000109.6F3 L32 L39 E78 I79 L81F3-L34 HydrophobicContact CB-CD1 4.45Å; F3-L34 HydrophobicContact CD1-CD1 3.81Å; F3-L34 HydrophobicContact CD2-CB 4.38Å; F3-L34 HydrophobicContact CD2-CD1 3.74Å; F3-L34 HydrophobicContact CD2-CD2 4.38Å; F3-L34 HydrophobicContact CD2-CG 4.39Å; F3-L34 HydrophobicContact CE1-CD1 3.86Å; F3-L34 HydrophobicContact CE1-CD2 4.36Å; F3-L34 HydrophobicContact CE2-CB 4.34Å; F3-L34 HydrophobicContact CE2-CD1 3.78Å; F3-L34 HydrophobicContact CE2-CD2 3.64Å; F3-L34 HydrophobicContact CE2-CG 4.12Å; F3-L34 HydrophobicContact CG-CD1 3.73Å; F3-L34 HydrophobicContact CZ-CD1 3.83Å; F3-L34 HydrophobicContact CZ-CD2 3.61Å; F3-L34 HydrophobicContact CZ-CG 4.31Å; L32-L34 HydrophobicContact CD1-CD2 3.8Å; L32-L34 HydrophobicContact CD2-CD1 4.15Å; L32-L34 HydrophobicContact CD2-CD2 3.91Å; L32-L34 HydrophobicContact CD2-CG 4.23Å; L32-L34 HydrophobicContact CG-CD1 4.29Å; L32-L34 HydrophobicContact CG-CD2 3.6Å; L32-L34 HydrophobicContact CG-CG 3.87Å; L34-L39 HydrophobicContact CD2-CD1 3.98Å; L34-L39 HydrophobicContact CD2-CG 3.88Å; L34-E78 WeakPolarHBondContact O-CA 3.46Å; L34-I79 HydrophobicContact CB-CB 4.22Å; L34-I79 PolarHBondContact N-O 2.92Å; L34-I79 PolarHBondContact O-N 3.43Å; L34-L81 HydrophobicContact CD1-CD1 3.77Å; L34-L81 HydrophobicContact CD1-CG 4.41Å
35N87.4Confident92.5Very high38 Ų3840.7 Ų40.720%0.20321%0.205CC..  trans-132.1167.7170.1-169.4-38.5000107.9N37 Q38 E78N35-N37 PolarHBondContact O-N 3.03Å; N35-N37 VanDerWaalsContact O-N 3.13Å; N35-Q38 HydrophobicContact CB-CB 4.4Å; N35-Q38 PolarHBondContact N-O 3.05Å; N35-Q38 VanDerWaalsContact O-O 3.14Å; N35-E78 HydrophobicContact CB-CG 4.38Å; N35-E78 PolarHBondContact ND2-OE1 2.97Å
36K86.5Confident92.1Very high100 Ų10049.5 Ų49.544%0.43523%0.227SC..SBendtrans-52.4-32.5176.5-76.2178.3174.2144.70113.8R67 C69 D77K36-R67 WeakPolarHBondContact O-CD 3.44Å; K36-R67 PolarHBondContact O-NE 3.44Å; K36-C69 WeakPolarHBondContact CE-O 3.27Å; K36-C69 HydrophobicContact CG-CB 4.24Å; K36-C69 WeakPolarHBondContact CG-O 3.39Å; K36-D77 WeakPolarHBondContact CD-OD2 3.42Å; K36-D77 WeakPolarHBondContact CE-OD2 3.33Å; K36-D77 WeakPolarHBondContact CG-OD2 3.27Å; K36-D77 IonicContact NZ-OD1 3.84Å; K36-D77 IonicContact NZ-OD2 3.78Å; K36-D77 PolarHBondContact NZ-OD2 2.97Å
37N85.9Confident91.3Very high116 Ų11651.3 Ų51.362%0.6224%0.24SC*.SBendtrans-117-10.5-173.6-66.1-12.5000114.1N35N35-N37 PolarHBondContact O-N 3.03Å; N35-N37 VanDerWaalsContact O-N 3.13Å
38Q87.4Confident90.1Very high109 Ų10957.3 Ų57.351%0.50928%0.276SS..  trans-134.6138-172.1-66.7-179.7-18.100110.6N35N35-Q38 HydrophobicContact CB-CB 4.4Å; N35-Q38 PolarHBondContact N-O 3.05Å; N35-Q38 VanDerWaalsContact O-O 3.14Å
39L93.3Very high88.9Confident5 Ų554.2 Ų54.23%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-126.9119167.7-177.9158.8000106.7I5 L32 L34 F41 L58 L60I5-L39 HydrophobicContact CD1-CD1 3.81Å; L32-L39 HydrophobicContact CD1-CD1 4.42Å; L32-L39 HydrophobicContact CD1-CD2 3.79Å; L32-L39 HydrophobicContact CD1-CG 3.87Å; L34-L39 HydrophobicContact CD2-CD1 3.98Å; L34-L39 HydrophobicContact CD2-CG 3.88Å; L39-F41 HydrophobicContact CD2-CD2 4.5Å; L39-F41 HydrophobicContact CD2-CE2 3.99Å; L39-F41 HydrophobicContact CD2-CZ 4.27Å; L39-L58 HydrophobicContact CD2-CB 4.38Å; L39-L58 HydrophobicContact CD2-CD1 3.97Å; L39-L58 HydrophobicContact CD2-CD2 4.06Å; L39-L58 HydrophobicContact CD2-CG 4.36Å; L39-L58 WeakPolarHBondContact O-CB 3.37Å; L39-L58 PolarHBondContact O-N 3.36Å; L39-L60 HydrophobicContact CB-CB 4.43Å; L39-L60 HydrophobicContact CB-CD1 3.93Å; L39-L60 HydrophobicContact CB-CD2 4.45Å; L39-L60 HydrophobicContact CD1-CD1 4.06Å
40S95.1Very high87.6Confident4 Ų452.9 Ų52.93%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-133.6145.8178.861.50000113.1H33 C56 D57H33-S40 PolarHBondContact N-O 2.95Å; H33-S40 PolarHBondContact O-N 2.74Å; S40-C56 CarbonylContact C-O 3.6Å; S40-C56 WeakPolarHBondContact CA-O 3.14Å; S40-C56 VanDerWaalsContact CB-O 3.29Å; S40-C56 WeakPolarHBondContact CB-O 3.39Å; S40-D57 WeakPolarHBondContact CB-OD1 3.13Å
41F96.7Very high86.9Confident2 Ų253 Ų531%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-99.1125.8170.1-62.6-79.7000109F16 I19 V20 I23 V30 L32 L39 C56 L58 I85 L88F16-F41 HydrophobicContact CE2-CE2 4.3Å; F16-F41 HydrophobicContact CE2-CZ 4.17Å; F16-F41 HydrophobicContact CZ-CZ 4.26Å; I19-F41 HydrophobicContact CG2-CE2 4.44Å; V20-F41 HydrophobicContact CG2-CE2 4.41Å; V20-F41 HydrophobicContact CG2-CZ 4.01Å; I23-F41 HydrophobicContact CG1-CB 4.33Å; I23-F41 HydrophobicContact CG1-CD2 4.19Å; I23-F41 HydrophobicContact CG1-CG 4.36Å; I23-F41 HydrophobicContact CG2-CB 4.17Å; I23-F41 HydrophobicContact CG2-CG 4.35Å; V30-F41 HydrophobicContact CG2-CD1 3.96Å; L32-F41 HydrophobicContact CD1-CD1 4.05Å; L32-F41 HydrophobicContact CD1-CE1 3.75Å; L32-F41 HydrophobicContact CD1-CZ 4.18Å; L39-F41 HydrophobicContact CD2-CD2 4.5Å; L39-F41 HydrophobicContact CD2-CE2 3.99Å; L39-F41 HydrophobicContact CD2-CZ 4.27Å; F41-C56 HydrophobicContact CB-CB 4.26Å; F41-C56 PolarHBondContact N-O 2.75Å; F41-C56 PolarHBondContact O-N 3.27Å; F41-L58 HydrophobicContact CD2-CD1 3.65Å; F41-L58 HydrophobicContact CE2-CD1 3.82Å; F41-L58 HydrophobicContact CE2-CD2 4.19Å; F41-I85 HydrophobicContact CD1-CD1 4.25Å; F41-I85 HydrophobicContact CE1-CD1 3.79Å; F41-I85 HydrophobicContact CZ-CD1 4.41Å; F41-L88 HydrophobicContact CE1-CD2 4.4Å; F41-L88 HydrophobicContact CZ-CD2 4.42Å
42I96.7Very high86.7Confident4 Ų452.7 Ų52.72%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-114.8124.4179.3-52.3172.2000107.8I31 H33 K44 A54 F80 F190I31-I42 HydrophobicContact CB-CB 4.21Å; I31-I42 PolarHBondContact N-O 3.27Å; I31-I42 PolarHBondContact O-N 3.03Å; H33-I42 HydrophobicContact CB-CD1 3.82Å; H33-I42 HydrophobicContact CB-CG1 4.48Å; I42-K44 HydrophobicContact CG2-CG 4.08Å; I42-A54 CarbonylContact C-O 3.51Å; I42-A54 WeakPolarHBondContact CA-O 3.39Å; I42-F80 HydrophobicContact CD1-CE1 4.16Å; I42-F190 HydrophobicContact CD1-CB 4.03Å; I42-F190 HydrophobicContact CG2-CD1 4.27Å
43I95.1Very high86.6Confident3 Ų354.3 Ų54.32%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-106.8122.9172.5-54.9178.5000106.4I23 L26 A27 V30 E45 T53 A54I23-I43 HydrophobicContact CG2-CD1 4.24Å; L26-I43 HydrophobicContact CB-CD1 3.5Å; L26-I43 HydrophobicContact CD1-CD1 4.02Å; L26-I43 HydrophobicContact CG-CD1 4.41Å; A27-I43 HydrophobicContact CB-CB 4.42Å; A27-I43 HydrophobicContact CB-CD1 3.88Å; A27-I43 HydrophobicContact CB-CG1 4.16Å; A27-I43 HydrophobicContact CB-CG2 3.46Å; A27-I43 VanDerWaalsContact CB-CG2 3.46Å; V30-I43 HydrophobicContact CG1-CG1 4.05Å; I43-E45 HydrophobicContact CG2-CB 4.44Å; I43-T53 CarbonylContact O-C 3.51Å; I43-T53 WeakPolarHBondContact O-CA 3.27Å; I43-A54 HydrophobicContact CB-CB 3.8Å; I43-A54 HydrophobicContact CD1-CB 3.93Å; I43-A54 HydrophobicContact CG1-CB 4.05Å; I43-A54 PolarHBondContact N-O 3.24Å; I43-A54 PolarHBondContact O-N 2.94Å
44K90.7Very high86.5Confident76 Ų7653.4 Ų53.433%0.3328%0.276SS..EExtended strand (participates in β ladder)trans-131.187.1167-66.2-161.5177.6-164.90108.2I42 T53 E189 F190 V191I42-K44 HydrophobicContact CG2-CG 4.08Å; K44-T53 HydrophobicContact CG-CG2 4.09Å; K44-E189 WeakPolarHBondContact CD-O 3.02Å; K44-E189 WeakPolarHBondContact CE-O 3.23Å; K44-E189 PolarHBondContact NZ-O 3.4Å; K44-F190 HydrophobicContact CD-CD1 4.15Å; K44-F190 HydrophobicContact CD-CE1 4.46Å; K44-V191 PolarHBondContact NZ-O 3.44Å
45E87.7Confident86.6Confident68 Ų6853.8 Ų53.832%0.31828%0.277SS..EExtended strand (participates in β ladder)trans-96.6126.9-179.8-167.8-175.115700109.3I43 G51 V52 R311I43-E45 HydrophobicContact CG2-CB 4.44Å; E45-G51 CarbonylContact O-C 3.57Å; E45-G51 WeakPolarHBondContact O-CA 3.26Å; E45-V52 HydrophobicContact CB-CG2 3.89Å; E45-V52 PolarHBondContact N-O 2.77Å; E45-V52 PolarHBondContact O-N 3.04Å; E45-R311 VanDerWaalsContact CD-NH1 3.35Å; E45-R311 IonicContact OE1-CZ 3.48Å; E45-R311 IonicContact OE1-NH1 3.32Å; E45-R311 PolarHBondContact OE1-NH1 3.23Å; E45-R311 IonicContact OE1-NH2 2.75Å; E45-R311 PolarHBondContact OE1-NH2 3.44Å; E45-R311 IonicContact OE2-CZ 3.39Å; E45-R311 IonicContact OE2-NH1 2.74Å; E45-R311 PolarHBondContact OE2-NH1 3.12Å; E45-R311 IonicContact OE2-NH2 3.32Å; E45-R311 PolarHBondContact OE2-NH2 2.98Å
46R81.6Confident87Confident221 Ų22152 Ų5283%0.83427%0.268SS*.  trans-87.9132.4172.2-62.7-176.2-174.81733.6109.3
47S76.2Confident87.4Confident39 Ų3948.9 Ų48.927%0.27326%0.256SS..  trans-136.5165.8171.266.80000110.5F49 G50 G51S47-F49 PolarHBondContact O-N 3.31Å; S47-F49 VanDerWaalsContact O-N 3.11Å; S47-G50 PolarHBondContact O-N 2.76Å; S47-G50 VanDerWaalsContact O-N 3.17Å; S47-G51 VanDerWaalsContact OG-CA 3.27Å; S47-G51 WeakPolarHBondContact OG-CA 3.26Å; S47-G51 PolarHBondContact OG-N 3.4Å; S47-G51 VanDerWaalsContact OG-N 3.08Å
48V68Low87.8Confident135 Ų13543.9 Ų43.982%0.81823%0.229SC*.THydrogen-bonded Turntrans-50.8-39.3-178.8-175.40000112.2
49F66.4Low87.9Confident90 Ų9041.9 Ų41.940%0.39522%0.222SC..THydrogen-bonded Turntrans-100.944.7-178.4-52.7-71.4000113.8S47 F223 T354S47-F49 PolarHBondContact O-N 3.31Å; S47-F49 VanDerWaalsContact O-N 3.11Å; F49-F223 HydrophobicContact CD2-CE1 4.21Å; F49-F223 HydrophobicContact CD2-CZ 4.37Å; F49-F223 HydrophobicContact CE1-CZ 4.35Å; F49-F223 HydrophobicContact CE2-CE1 4.24Å; F49-F223 AromaticContact CE2-CZ 3.95Å; F49-F223 HydrophobicContact CE2-CZ 3.95Å; F49-F223 AromaticContact CZ-CZ 3.94Å; F49-F223 HydrophobicContact CZ-CZ 3.94Å; F49-T354 HydrophobicContact CB-CG2 3.73Å; F49-T354 HydrophobicContact CD1-CG2 3.45Å; F49-T354 VanDerWaalsContact CD1-CG2 3.45Å; F49-T354 HydrophobicContact CD2-CG2 4.34Å; F49-T354 HydrophobicContact CE1-CG2 4.11Å; F49-T354 HydrophobicContact CG-CG2 3.58Å
50G66.6Low87.7Confident59 Ų5941.9 Ų41.961%0.60822%0.222SC*.  trans95.1-4.2169.600000117S47 P352S47-G50 PolarHBondContact O-N 2.76Å; S47-G50 VanDerWaalsContact O-N 3.17Å; G50-P352 VanDerWaalsContact C-CG 3.48Å; G50-P352 WeakPolarHBondContact O-CG 3.48Å
51G83Confident87.3Confident6 Ų644.2 Ų44.26%0.06224%0.241CC..  trans72.8-175.8177.600000114.2E45 S47 P352E45-G51 CarbonylContact O-C 3.57Å; E45-G51 WeakPolarHBondContact O-CA 3.26Å; S47-G51 VanDerWaalsContact OG-CA 3.27Å; S47-G51 WeakPolarHBondContact OG-CA 3.26Å; S47-G51 PolarHBondContact OG-N 3.4Å; S47-G51 VanDerWaalsContact OG-N 3.08Å; G51-P352 WeakPolarHBondContact O-CD 3.4Å; G51-P352 VanDerWaalsContact O-CG 3.29Å; G51-P352 WeakPolarHBondContact O-CG 3.4Å
52V91.4Very high86.8Confident3 Ų347.8 Ų47.82%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-133.7143.4171.2-67.20000109.5E45 R311 Y349 I351E45-V52 HydrophobicContact CB-CG2 3.89Å; E45-V52 PolarHBondContact N-O 2.77Å; E45-V52 PolarHBondContact O-N 3.04Å; V52-R311 HydrophobicContact CG1-CB 4.33Å; V52-R311 HydrophobicContact CG1-CG 3.85Å; V52-Y349 HydrophobicContact CB-CE2 4.42Å; V52-Y349 HydrophobicContact CG2-CE2 4.46Å; V52-I351 HydrophobicContact CG1-CG1 4.31Å; V52-I351 HydrophobicContact CG1-CG2 4.2Å
53T93.9Very high86.4Confident42 Ų4247.7 Ų47.726%0.25826%0.259SS..EExtended strand (participates in β ladder)trans-120.6136.4172.4580000109.9I43 K44 W55 T350I43-T53 CarbonylContact O-C 3.51Å; I43-T53 WeakPolarHBondContact O-CA 3.27Å; K44-T53 HydrophobicContact CG-CG2 4.09Å; T53-W55 VanDerWaalsContact CB-CZ3 3.5Å; T53-W55 HydrophobicContact CG2-CH2 4.27Å; T53-W55 WeakPolarHBondContact OG1-CH2 3.48Å; T53-W55 VanDerWaalsContact OG1-CZ3 3.26Å; T53-W55 WeakPolarHBondContact OG1-CZ3 3.19Å; T53-T350 PolarHBondContact N-O 2.96Å; T53-T350 VanDerWaalsContact N-O 3.08Å; T53-T350 PolarHBondContact O-N 3.4Å; T53-T350 WeakPolarHBondContact OG1-CB 2.85Å
54A94.7Very high86.3Confident1 Ų147.6 Ų47.61%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-139.8142.2176.200000111I42 I43 L347 K348 Y349I42-A54 CarbonylContact C-O 3.51Å; I42-A54 WeakPolarHBondContact CA-O 3.39Å; I43-A54 HydrophobicContact CB-CB 3.8Å; I43-A54 HydrophobicContact CD1-CB 3.93Å; I43-A54 HydrophobicContact CG1-CB 4.05Å; I43-A54 PolarHBondContact N-O 3.24Å; I43-A54 PolarHBondContact O-N 2.94Å; A54-L347 HydrophobicContact CB-CD1 4.33Å; A54-K348 CarbonylContact C-O 3.57Å; A54-K348 WeakPolarHBondContact CA-O 3.46Å; A54-Y349 HydrophobicContact CB-CD2 3.52Å; A54-Y349 HydrophobicContact CB-CE2 4.13Å; A54-Y349 HydrophobicContact CB-CG 4.49Å
55W95.4Very high86.2Confident8 Ų848.1 Ų48.13%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-125123.3171.9-66.2-100.5000107.9T53 E192 L347 K348T53-W55 VanDerWaalsContact CB-CZ3 3.5Å; T53-W55 HydrophobicContact CG2-CH2 4.27Å; T53-W55 WeakPolarHBondContact OG1-CH2 3.48Å; T53-W55 VanDerWaalsContact OG1-CZ3 3.26Å; T53-W55 WeakPolarHBondContact OG1-CZ3 3.19Å; W55-E192 HydrophobicContact CD2-CB 4.43Å; W55-E192 HydrophobicContact CD2-CG 3.96Å; W55-E192 HydrophobicContact CE3-CG 4.47Å; W55-E192 HydrophobicContact CG-CB 4.37Å; W55-E192 HydrophobicContact CG-CG 4.07Å; W55-E192 HydrophobicContact CZ2-CG 4.42Å; W55-L347 WeakPolarHBondContact O-CA 3.27Å; W55-K348 HydrophobicContact CE3-CD 4.42Å; W55-K348 PolarHBondContact N-O 3Å; W55-K348 PolarHBondContact O-N 3.44Å
56C95.3Very high86.4Confident1 Ų149 Ų491%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-118.6107.2173.4-175.50000108.9I23 S40 F41 L58 K346 L347I23-C56 HydrophobicContact CD1-CB 3.51Å; I23-C56 HydrophobicContact CG1-CB 4.34Å; S40-C56 CarbonylContact C-O 3.6Å; S40-C56 WeakPolarHBondContact CA-O 3.14Å; S40-C56 VanDerWaalsContact CB-O 3.29Å; S40-C56 WeakPolarHBondContact CB-O 3.39Å; F41-C56 HydrophobicContact CB-CB 4.26Å; F41-C56 PolarHBondContact N-O 2.75Å; F41-C56 PolarHBondContact O-N 3.27Å; C56-L58 WeakPolarHBondContact O-CD1 3.32Å; C56-K346 CarbonylContact C-O 3.54Å; C56-K346 VanDerWaalsContact CA-O 3.24Å; C56-K346 WeakPolarHBondContact CA-O 3.13Å; C56-L347 HydrophobicContact CB-CD1 3.96Å
57D94.4Very high86.9Confident34 Ų3443.3 Ų43.318%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-97.7129179.9-62.1-27.3000109S40 H345 K346S40-D57 WeakPolarHBondContact CB-OD1 3.13Å; D57-H345 WeakPolarHBondContact O-CA 3.32Å; D57-H345 VanDerWaalsContact O-CB 3.27Å; D57-H345 WeakPolarHBondContact O-CB 3.39Å; D57-K346 HydrophobicContact CB-CG 4Å; D57-K346 PolarHBondContact N-O 2.83Å; D57-K346 PolarHBondContact O-N 2.95Å; D57-K346 WeakPolarHBondContact OD2-CE 3.11Å; D57-K346 IonicContact OD2-NZ 2.89Å; D57-K346 PolarHBondContact OD2-NZ 2.84Å
58L93.7Very high87.6Confident12 Ų1244.3 Ų44.36%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-107.4141.4179.2-69.677.5000109.5F16 I19 L39 F41 C56 L60 L63 H345F16-L58 HydrophobicContact CD2-CD2 3.78Å; F16-L58 HydrophobicContact CE2-CD2 3.96Å; I19-L58 HydrophobicContact CB-CD2 4.46Å; I19-L58 HydrophobicContact CD1-CD2 3.7Å; I19-L58 HydrophobicContact CD1-CG 4.08Å; I19-L58 HydrophobicContact CG2-CD1 4.15Å; I19-L58 HydrophobicContact CG2-CD2 3.95Å; I19-L58 HydrophobicContact CG2-CG 4.21Å; L39-L58 HydrophobicContact CD2-CB 4.38Å; L39-L58 HydrophobicContact CD2-CD1 3.97Å; L39-L58 HydrophobicContact CD2-CD2 4.06Å; L39-L58 HydrophobicContact CD2-CG 4.36Å; L39-L58 WeakPolarHBondContact O-CB 3.37Å; L39-L58 PolarHBondContact O-N 3.36Å; F41-L58 HydrophobicContact CD2-CD1 3.65Å; F41-L58 HydrophobicContact CE2-CD1 3.82Å; F41-L58 HydrophobicContact CE2-CD2 4.19Å; C56-L58 WeakPolarHBondContact O-CD1 3.32Å; L58-L60 PolarHBondContact O-N 2.93Å; L58-L63 HydrophobicContact CB-CD1 4.05Å; L58-L63 HydrophobicContact CD2-CD1 3.69Å; L58-L63 HydrophobicContact CG-CD1 4.32Å; L58-H345 HydrophobicContact CG-CB 4.28Å
59D89.8Confident88.8Confident67 Ų6738.3 Ų38.336%0.35822%0.218SC..  trans-73.194.8167.7-166-33.5000109.7A61 I62 L63 N344D59-A61 PolarHBondContact O-N 2.96Å; D59-A61 WeakPolarHBondContact OD1-CB 3.28Å; D59-A61 PolarHBondContact OD1-N 2.76Å; D59-I62 HydrophobicContact CB-CB 4.25Å; D59-I62 HydrophobicContact CB-CD1 3.96Å; D59-I62 HydrophobicContact CB-CG1 4.19Å; D59-I62 PolarHBondContact O-N 2.68Å; D59-I62 PolarHBondContact OD1-N 3Å; D59-I62 WeakPolarHBondContact OD2-CD1 3.33Å; D59-L63 PolarHBondContact O-N 2.87Å; D59-L63 VanDerWaalsContact O-N 3.12Å; D59-N344 PolarHBondContact N-O 2.77Å
60L88.8Confident89.9Confident5 Ų538.3 Ų38.33%0.02622%0.219CC..Hα-helixtrans-63.8-31.3-178.4-175.463.2000111.8I5 L39 L58 F64I5-L60 HydrophobicContact CG2-CD1 4.12Å; L39-L60 HydrophobicContact CB-CB 4.43Å; L39-L60 HydrophobicContact CB-CD1 3.93Å; L39-L60 HydrophobicContact CB-CD2 4.45Å; L39-L60 HydrophobicContact CD1-CD1 4.06Å; L58-L60 PolarHBondContact O-N 2.93Å; L60-F64 HydrophobicContact CD1-CB 3.92Å; L60-F64 HydrophobicContact CD1-CD2 3.76Å; L60-F64 HydrophobicContact CD1-CG 4.2Å; L60-F64 CarbonylContact O-C 3.43Å; L60-F64 WeakPolarHBondContact O-CA 3.44Å; L60-F64 PolarHBondContact O-N 2.89Å
61A86.9Confident91Very high52 Ų5235.9 Ų35.943%0.4319%0.194SC..Hα-helixtrans-70.1-38.2-177.800000111.6D59D59-A61 PolarHBondContact O-N 2.96Å; D59-A61 WeakPolarHBondContact OD1-CB 3.28Å; D59-A61 PolarHBondContact OD1-N 2.76Å
62I87.4Confident91.2Very high78 Ų7839.9 Ų39.940%0.421%0.213SC..Hα-helixtrans-71.4-49.2176-63175.5000110.5D59D59-I62 HydrophobicContact CB-CB 4.25Å; D59-I62 HydrophobicContact CB-CD1 3.96Å; D59-I62 HydrophobicContact CB-CG1 4.19Å; D59-I62 PolarHBondContact O-N 2.68Å; D59-I62 PolarHBondContact OD1-N 3Å; D59-I62 WeakPolarHBondContact OD2-CD1 3.33Å
63L88Confident91Very high1 Ų141.6 Ų41.61%0.00523%0.226CC..Hα-helixtrans-75.2-35.8-172.1-71.9175000113.9T7 C12 N15 I19 L58 D59T7-L63 WeakPolarHBondContact CB-O 3.32Å; T7-L63 PolarHBondContact OG1-O 2.94Å; T7-L63 VanDerWaalsContact OG1-O 3.12Å; C12-L63 HydrophobicContact CB-CD2 4.12Å; N15-L63 HydrophobicContact CB-CD2 4.18Å; N15-L63 WeakPolarHBondContact ND2-CD2 3.47Å; I19-L63 HydrophobicContact CD1-CD1 4.24Å; L58-L63 HydrophobicContact CB-CD1 4.05Å; L58-L63 HydrophobicContact CD2-CD1 3.69Å; L58-L63 HydrophobicContact CG-CD1 4.32Å; D59-L63 PolarHBondContact O-N 2.87Å; D59-L63 VanDerWaalsContact O-N 3.12Å
64F92.2Very high90.4Very high1 Ų145.3 Ų45.30%0.00425%0.25CS..  trans-136.287.7-171-62.1-83.4000111.2I5 T7 F16 L60 E66 L145I5-F64 HydrophobicContact CB-CB 4.07Å; I5-F64 HydrophobicContact CB-CD1 3.93Å; I5-F64 HydrophobicContact CB-CG 4.01Å; I5-F64 HydrophobicContact CD1-CD1 3.93Å; I5-F64 HydrophobicContact CD1-CD2 4.05Å; I5-F64 HydrophobicContact CD1-CE1 3.84Å; I5-F64 HydrophobicContact CD1-CE2 3.95Å; I5-F64 HydrophobicContact CD1-CG 4.03Å; I5-F64 HydrophobicContact CD1-CZ 3.85Å; I5-F64 HydrophobicContact CG1-CD1 4.08Å; I5-F64 HydrophobicContact CG1-CE1 4.25Å; I5-F64 HydrophobicContact CG1-CG 4.41Å; I5-F64 HydrophobicContact CG2-CB 4.48Å; T7-F64 HydrophobicContact CG2-CD1 3.85Å; T7-F64 HydrophobicContact CG2-CE1 3.68Å; F16-F64 HydrophobicContact CB-CZ 4.37Å; F16-F64 HydrophobicContact CD1-CZ 4.11Å; F16-F64 AromaticContact CD2-CE2 3.83Å; F16-F64 HydrophobicContact CD2-CE2 3.83Å; F16-F64 AromaticContact CD2-CZ 3.89Å; F16-F64 HydrophobicContact CD2-CZ 3.89Å; F16-F64 HydrophobicContact CE1-CZ 4.38Å; F16-F64 HydrophobicContact CE2-CE2 4.12Å; F16-F64 HydrophobicContact CE2-CZ 4.18Å; F16-F64 HydrophobicContact CG-CE2 4.21Å; F16-F64 AromaticContact CG-CZ 3.85Å; F16-F64 HydrophobicContact CG-CZ 3.85Å; F16-F64 HydrophobicContact CZ-CZ 4.41Å; L60-F64 HydrophobicContact CD1-CB 3.92Å; L60-F64 HydrophobicContact CD1-CD2 3.76Å; L60-F64 HydrophobicContact CD1-CG 4.2Å; L60-F64 CarbonylContact O-C 3.43Å; L60-F64 WeakPolarHBondContact O-CA 3.44Å; L60-F64 PolarHBondContact O-N 2.89Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 2.63Å; F64-L145 HydrophobicContact CE1-CD2 3.94Å; F64-L145 HydrophobicContact CE1-CG 4.35Å; F64-L145 HydrophobicContact CZ-CD2 4.08Å
65P88.1Confident89.9Confident87 Ų8752.5 Ų52.557%0.56529%0.288SS*.SBendtrans-59.7-42.5179.9-24.834000112.9
66E92Very high89.4Confident88 Ų8855.5 Ų55.541%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-86.9110.5174.6-78.7-176.1-127.800109.6R4 I5 K6 F64R4-E66 IonicContact NH2-OE2 3.4Å; I5-E66 CarbonylContact C-O 3.59Å; I5-E66 VanDerWaalsContact CA-O 3.32Å; I5-E66 WeakPolarHBondContact CA-O 3.45Å; K6-E66 HydrophobicContact CB-CB 3.95Å; K6-E66 WeakPolarHBondContact CD-OE1 3.47Å; K6-E66 WeakPolarHBondContact CD-OE2 3.3Å; K6-E66 PolarHBondContact N-O 3.19Å; K6-E66 IonicContact NZ-OE1 3.59Å; K6-E66 PolarHBondContact NZ-OE1 2.88Å; K6-E66 IonicContact NZ-OE2 3.51Å; K6-E66 PolarHBondContact O-N 3.36Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 2.63Å
67R92.2Very high89.1Confident100 Ų10056.8 Ų56.838%0.37731%0.31SS..EExtended strand (participates in β ladder)trans-139.1139.9178.162.3-173.7179.8-85.2-0.1112.6R4 I5 K36R4-R67 CarbonylContact O-C 3.5Å; R4-R67 WeakPolarHBondContact O-CA 3.46Å; I5-R67 HydrophobicContact CG2-CB 4.06Å; K36-R67 WeakPolarHBondContact O-CD 3.44Å; K36-R67 PolarHBondContact O-NE 3.44Å
68I92Very high89Confident61 Ų6158 Ų5831%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-137.1120.3173-56.9175.6000106K2 F3 R4 E70K2-I68 HydrophobicContact CD-CG2 4.18Å; K2-I68 HydrophobicContact CG-CG2 4.36Å; F3-I68 CarbonylContact C-O 3.59Å; F3-I68 VanDerWaalsContact CA-O 3.31Å; F3-I68 WeakPolarHBondContact CA-O 3.24Å; R4-I68 HydrophobicContact CB-CB 4.28Å; R4-I68 PolarHBondContact N-O 3.01Å; R4-I68 PolarHBondContact O-N 3.21Å; I68-E70 HydrophobicContact CG2-CG 4.38Å
69C91.9Very high89Confident9 Ų957.5 Ų57.56%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-134.1120.1170-1650000107.4K2 F3 K36K2-C69 WeakPolarHBondContact O-CA 3.36Å; F3-C69 HydrophobicContact CD2-CB 4.46Å; K36-C69 WeakPolarHBondContact CE-O 3.27Å; K36-C69 HydrophobicContact CG-CB 4.24Å; K36-C69 WeakPolarHBondContact CG-O 3.39Å
70E91Very high89.3Confident89 Ų8954.6 Ų54.642%0.41630%0.296SS..EExtended strand (participates in β ladder)trans-131.1118.4174.6-62.2164.5-158.200106.2M1 K2 I68 D77M1-E70 CarbonylContact C-O 3.48Å; M1-E70 WeakPolarHBondContact CA-O 3.02Å; K2-E70 HydrophobicContact CB-CB 4.2Å; K2-E70 PolarHBondContact N-O 3.37Å; K2-E70 IonicContact NZ-OE1 2.78Å; K2-E70 PolarHBondContact NZ-OE1 2.98Å; K2-E70 PolarHBondContact O-N 3.18Å; I68-E70 HydrophobicContact CG2-CG 4.38Å; E70-D77 WeakPolarHBondContact CA-OD1 3.23Å
71G89.2Confident89.6Confident8 Ų854.4 Ų54.48%0.08230%0.295CS..  trans-74.9-146.6-179.800000114.3M1 Q76 D77M1-G71 WeakPolarHBondContact CA-O 3.45Å; M1-G71 WeakPolarHBondContact CG-O 3.3Å; M1-G71 PolarHBondContact N-O 3.08Å; G71-Q76 CarbonylContact C-O 3.51Å; G71-Q76 VanDerWaalsContact CA-O 3.27Å; G71-Q76 WeakPolarHBondContact CA-O 3.16Å; G71-D77 PolarHBondContact N-OD1 2.84Å
72I87Confident90.1Very high91 Ų9155.2 Ų55.247%0.46729%0.289SS..SBendtrans-82.2-41.5178.6-60.2171.7000110M1 Q76 P184M1-I72 HydrophobicContact CG-CG1 3.62Å; M1-I72 HydrophobicContact SD-CD1 4.27Å; M1-I72 HydrophobicContact SD-CG1 3.71Å; I72-Q76 HydrophobicContact CB-CB 4.47Å; I72-Q76 PolarHBondContact N-O 3.16Å; I72-P184 HydrophobicContact CD1-CG 3.88Å
73S86.8Confident90.5Very high39 Ų3951.7 Ų51.727%0.27327%0.272SS..BIsolated β-bridgetrans-142.8166.8179.671.20000109D75 Q76 D77S73-D75 PolarHBondContact O-N 2.93Å; S73-D75 PolarHBondContact OG-N 3.01Å; S73-Q76 CarbonylContact O-C 3.1Å; S73-Q76 PolarHBondContact O-N 3.34Å; S73-Q76 VanDerWaalsContact O-N 3.07Å; S73-Q76 WeakPolarHBondContact OG-CB 3.43Å; S73-Q76 PolarHBondContact OG-N 3.4Å; S73-Q76 VanDerWaalsContact OG-N 3.07Å; S73-D77 PolarHBondContact O-N 2.86Å
74P81.5Confident90.9Very high119 Ų11954.8 Ų54.877%0.77329%0.287SS*.THydrogen-bonded Turntrans-57.7-28.8171.922.3-34000113.5
75D84.9Confident91Very high152 Ų15254.7 Ų54.781%0.81329%0.287SS*.THydrogen-bonded Turntrans-80.4-23176.2-50.3-46.8000112.7S73S73-D75 PolarHBondContact O-N 2.93Å; S73-D75 PolarHBondContact OG-N 3.01Å
76Q84.9Confident91.3Very high72 Ų7253.9 Ų53.934%0.33628%0.278SS..BIsolated β-bridgetrans-121.663.9-179.9-65.9-174-26.600109.7G71 I72 S73 E78 W187G71-Q76 CarbonylContact C-O 3.51Å; G71-Q76 VanDerWaalsContact CA-O 3.27Å; G71-Q76 WeakPolarHBondContact CA-O 3.16Å; I72-Q76 HydrophobicContact CB-CB 4.47Å; I72-Q76 PolarHBondContact N-O 3.16Å; S73-Q76 CarbonylContact O-C 3.1Å; S73-Q76 PolarHBondContact O-N 3.34Å; S73-Q76 VanDerWaalsContact O-N 3.07Å; S73-Q76 WeakPolarHBondContact OG-CB 3.43Å; S73-Q76 PolarHBondContact OG-N 3.4Å; S73-Q76 VanDerWaalsContact OG-N 3.07Å; Q76-E78 PolarHBondContact O-N 3.18Å; Q76-W187 HydrophobicContact CB-CH2 4.13Å; Q76-W187 HydrophobicContact CB-CZ3 4.2Å; Q76-W187 HydrophobicContact CG-CZ3 4.45Å
77D89Confident91.5Very high27 Ų2754.1 Ų54.114%0.14428%0.279CS..  trans-85.43.7-174.9-161.433.4000114K36 E70 G71 S73K36-D77 WeakPolarHBondContact CD-OD2 3.42Å; K36-D77 WeakPolarHBondContact CE-OD2 3.33Å; K36-D77 WeakPolarHBondContact CG-OD2 3.27Å; K36-D77 IonicContact NZ-OD1 3.84Å; K36-D77 IonicContact NZ-OD2 3.78Å; K36-D77 PolarHBondContact NZ-OD2 2.97Å; E70-D77 WeakPolarHBondContact CA-OD1 3.23Å; G71-D77 PolarHBondContact N-OD1 2.84Å; S73-D77 PolarHBondContact O-N 2.86Å
78E91.9Very high91.6Very high61 Ų6149.5 Ų49.529%0.28526%0.262SS..  trans-95.3153178.4-60.1-172.7150.900111.5H33 L34 N35 Q76 F80 W187H33-E78 IonicContact CE1-OE1 3.85Å; H33-E78 IonicContact NE2-OE1 3.72Å; H33-E78 IonicContact NE2-OE2 2.68Å; L34-E78 WeakPolarHBondContact O-CA 3.46Å; N35-E78 HydrophobicContact CB-CG 4.38Å; N35-E78 PolarHBondContact ND2-OE1 2.97Å; Q76-E78 PolarHBondContact O-N 3.18Å; E78-F80 HydrophobicContact CB-CE2 4.05Å; E78-W187 HydrophobicContact CB-CH2 4.25Å; E78-W187 HydrophobicContact CB-CZ3 4.02Å; E78-W187 WeakPolarHBondContact O-CH2 3.07Å
79I93.7Very high91.7Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-134.3120.3176.4-49.8174.6000108.7M1 F3 L34 L81 L149M1-I79 HydrophobicContact CB-CD1 4.25Å; M1-I79 HydrophobicContact CG-CD1 4.38Å; M1-I79 HydrophobicContact CG-CG1 4.43Å; M1-I79 HydrophobicContact SD-CG1 4.37Å; M1-I79 HydrophobicContact SD-CG2 4.21Å; F3-I79 HydrophobicContact CB-CD1 4.25Å; L34-I79 HydrophobicContact CB-CB 4.22Å; L34-I79 PolarHBondContact N-O 2.92Å; L34-I79 PolarHBondContact O-N 3.43Å; I79-L81 HydrophobicContact CG2-CD1 4.47Å; I79-L81 HydrophobicContact CG2-CD2 3.76Å; I79-L81 HydrophobicContact CG2-CG 3.91Å; I79-L149 HydrophobicContact CG2-CD2 4.38Å
80F95.7Very high91.6Very high7 Ų753.5 Ų53.53%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-105.1120.6173.9-71.5-99.3000109.4I31 H33 I42 E78 V182 W187 F190I31-F80 HydrophobicContact CG2-CB 4.23Å; I31-F80 HydrophobicContact CG2-CD1 3.75Å; I31-F80 HydrophobicContact CG2-CG 4.49Å; H33-F80 HydrophobicContact CB-CD1 4.01Å; H33-F80 HydrophobicContact CB-CE1 3.78Å; H33-F80 HydrophobicContact CB-CZ 4.38Å; H33-F80 AromaticContact CD2-CD1 3.97Å; H33-F80 AromaticContact CD2-CD2 3.92Å; H33-F80 AromaticContact CD2-CE1 3.47Å; H33-F80 VanDerWaalsContact CD2-CE1 3.47Å; H33-F80 WeakPolarHBondContact CD2-CE1 3.33Å; H33-F80 AromaticContact CD2-CE2 3.41Å; H33-F80 VanDerWaalsContact CD2-CE2 3.41Å; H33-F80 WeakPolarHBondContact CD2-CE2 3.27Å; H33-F80 AromaticContact CD2-CZ 3.16Å; H33-F80 WeakPolarHBondContact CD2-CZ 3.5Å; H33-F80 AromaticContact CE1-CZ 4Å; H33-F80 AromaticContact CG-CE1 3.57Å; H33-F80 AromaticContact CG-CZ 3.67Å; H33-F80 AromaticContact NE2-CE2 3.67Å; H33-F80 AromaticContact NE2-CZ 3.45Å; H33-F80 WeakPolarHBondContact NE2-CZ 3.19Å; I42-F80 HydrophobicContact CD1-CE1 4.16Å; E78-F80 HydrophobicContact CB-CE2 4.05Å; F80-V182 HydrophobicContact CB-CB 3.68Å; F80-V182 HydrophobicContact CB-CG1 4.33Å; F80-V182 HydrophobicContact CB-CG2 4.02Å; F80-V182 PolarHBondContact O-N 3.49Å; F80-W187 HydrophobicContact CD2-CB 4.41Å; F80-W187 AromaticContact CD2-CD1 3.59Å; F80-W187 AromaticContact CD2-CD2 3.6Å; F80-W187 HydrophobicContact CD2-CD2 3.6Å; F80-W187 AromaticContact CD2-CE2 3.55Å; F80-W187 HydrophobicContact CD2-CE3 4.28Å; F80-W187 AromaticContact CD2-CG 3.65Å; F80-W187 HydrophobicContact CD2-CG 3.65Å; F80-W187 HydrophobicContact CD2-CZ2 4.21Å; F80-W187 AromaticContact CD2-NE1 3.54Å; F80-W187 HydrophobicContact CE2-CB 4.13Å; F80-W187 AromaticContact CE2-CD2 3.72Å; F80-W187 HydrophobicContact CE2-CD2 3.72Å; F80-W187 HydrophobicContact CE2-CE3 4.06Å; F80-W187 AromaticContact CE2-CG 3.77Å; F80-W187 HydrophobicContact CE2-CG 3.77Å; F80-W187 AromaticContact CG-CD1 3.97Å; F80-W187 HydrophobicContact CG-CG 4.36Å; F80-F190 HydrophobicContact CD1-CB 4.06Å; F80-F190 HydrophobicContact CD1-CD2 4.22Å; F80-F190 HydrophobicContact CD1-CG 4.28Å; F80-F190 HydrophobicContact CE1-CB 3.64Å; F80-F190 HydrophobicContact CE1-CG 4.35Å
81L96Very high91.6Very high0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-121.3123.6-179.3-58177.5000110.2I31 L32 L34 I79 L149 L157 V179 Q180 V181I31-L81 CarbonylContact C-O 3.59Å; I31-L81 WeakPolarHBondContact CA-O 3.31Å; L32-L81 HydrophobicContact CB-CB 4.39Å; L32-L81 PolarHBondContact N-O 3.12Å; L32-L81 PolarHBondContact O-N 3.32Å; L34-L81 HydrophobicContact CD1-CD1 3.77Å; L34-L81 HydrophobicContact CD1-CG 4.41Å; I79-L81 HydrophobicContact CG2-CD1 4.47Å; I79-L81 HydrophobicContact CG2-CD2 3.76Å; I79-L81 HydrophobicContact CG2-CG 3.91Å; L81-L149 HydrophobicContact CD1-CD1 4.03Å; L81-L149 HydrophobicContact CD2-CD1 4.25Å; L81-L149 HydrophobicContact CD2-CD2 4.34Å; L81-L157 HydrophobicContact CD1-CD2 4.07Å; L81-L157 HydrophobicContact CD1-CG 4.34Å; L81-V179 HydrophobicContact CD1-CG2 4.45Å; L81-V179 HydrophobicContact CD2-CG2 4.18Å; L81-Q180 CarbonylContact C-O 3.51Å; L81-Q180 WeakPolarHBondContact CA-O 3.47Å; L81-V181 HydrophobicContact CD2-CB 4.45Å; L81-V181 HydrophobicContact CD2-CG2 3.86Å
82E96.6Very high91.6Very high69 Ų6949.5 Ų49.532%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-86.1129.4168.9-175.6172.9-170.900110.1I31 V179 Q180 V182I31-E82 HydrophobicContact CD1-CB 3.5Å; I31-E82 VanDerWaalsContact CD1-CB 3.5Å; I31-E82 HydrophobicContact CD1-CG 3.72Å; E82-V179 WeakPolarHBondContact O-CA 3.44Å; E82-Q180 HydrophobicContact CB-CB 4.23Å; E82-Q180 PolarHBondContact N-O 3.37Å; E82-Q180 PolarHBondContact O-N 2.91Å; E82-V182 HydrophobicContact CB-CG2 4.46Å
83L95.6Very high91.3Very high5 Ų550.7 Ų50.73%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-146159.1177.171145.4000113N29 V30 L32 L88 L157 V179N29-L83 WeakPolarHBondContact CA-O 3.3Å; V30-L83 HydrophobicContact CG2-CD2 4.08Å; V30-L83 HydrophobicContact CG2-CG 4.13Å; V30-L83 PolarHBondContact N-O 3.34Å; V30-L83 PolarHBondContact O-N 3.04Å; L32-L83 HydrophobicContact CB-CD2 3.54Å; L32-L83 HydrophobicContact CD2-CD2 4.34Å; L83-L88 HydrophobicContact CD1-CB 4.17Å; L83-L88 HydrophobicContact CD1-CD2 4.28Å; L83-L157 HydrophobicContact CD1-CD1 4.15Å; L83-L157 HydrophobicContact CD2-CD1 4.47Å; L83-V179 HydrophobicContact CB-CG1 3.82Å
84I96.1Very high90.2Very high65 Ų6551.6 Ų51.633%0.33326%0.263SS..EExtended strand (participates in β ladder)trans-82.4112.1167.6-62.1166.8000108.2K28 N29 D86 H87K28-I84 CarbonylContact O-C 3.41Å; K28-I84 WeakPolarHBondContact O-CA 3.45Å; N29-I84 WeakPolarHBondContact OD1-CG1 3.41Å; I84-D86 VanDerWaalsContact C-N 3.3Å; I84-D86 HydrophobicContact CG2-CB 4.24Å; I84-D86 PolarHBondContact O-N 3.44Å; I84-H87 PolarHBondContact O-N 3.38Å
85I95.6Very high88.9Confident0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-67.9-28.6-172.3-168.461.7000113V20 I23 A24 A27 K28 V30 F41 H87 L88 L89V20-I85 HydrophobicContact CG1-CD1 3.83Å; V20-I85 HydrophobicContact CG1-CG1 4.06Å; I23-I85 HydrophobicContact CB-CG1 4.48Å; I23-I85 HydrophobicContact CG2-CG1 4.11Å; A24-I85 HydrophobicContact CB-CG1 4.32Å; A24-I85 HydrophobicContact CB-CG2 3.77Å; A27-I85 WeakPolarHBondContact O-CG2 3.44Å; K28-I85 PolarHBondContact O-N 2.87Å; V30-I85 HydrophobicContact CG1-CB 4.09Å; V30-I85 HydrophobicContact CG1-CG2 4.2Å; V30-I85 HydrophobicContact CG2-CB 3.9Å; V30-I85 HydrophobicContact CG2-CD1 3.99Å; V30-I85 HydrophobicContact CG2-CG1 4.28Å; F41-I85 HydrophobicContact CD1-CD1 4.25Å; F41-I85 HydrophobicContact CE1-CD1 3.79Å; F41-I85 HydrophobicContact CZ-CD1 4.41Å; I85-H87 PolarHBondContact O-N 3.08Å; I85-L88 HydrophobicContact CD1-CB 4.26Å; I85-L88 HydrophobicContact CD1-CD2 3.85Å; I85-L88 WeakPolarHBondContact O-CB 3.35Å; I85-L88 PolarHBondContact O-N 3.19Å; I85-L89 PolarHBondContact O-N 2.98Å
86D94.5Very high87.1Confident70 Ų7046 Ų4637%0.37423%0.229SC..Hα-helixtrans-61.2-33.6176.5-77.3-50.3000112.5I84 L88 L89 H90I84-D86 VanDerWaalsContact C-N 3.3Å; I84-D86 HydrophobicContact CG2-CB 4.24Å; I84-D86 PolarHBondContact O-N 3.44Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L89 PolarHBondContact O-N 3.45Å; D86-H90 WeakPolarHBondContact O-CB 2.95Å; D86-H90 PolarHBondContact O-N 3.16Å
87H94.9Very high84.8Confident92 Ų9249.2 Ų49.243%0.42624%0.244SC..Hα-helixtrans-66.3-39.4175.4-63171.6000110.8I84 I85 C91 I177I84-H87 PolarHBondContact O-N 3.38Å; I85-H87 PolarHBondContact O-N 3.08Å; H87-C91 PolarHBondContact O-N 2.74Å; H87-C91 PolarHBondContact O-SG 3.14Å; H87-I177 HydrophobicContact CB-CD1 4.05Å; H87-I177 HydrophobicContact CB-CG1 4.32Å; H87-I177 HydrophobicContact CB-CG2 3.98Å
88L95.4Very high82.2Confident4 Ų450.3 Ų50.32%0.02125%0.254CS..Hα-helixtrans-66.2-46.8176177.659.9000110.5F16 V20 F41 L83 I85 D86 H90 C91 I92 I147 I159 I177F16-L88 HydrophobicContact CZ-CD2 4.36Å; V20-L88 HydrophobicContact CG1-CB 4.45Å; V20-L88 HydrophobicContact CG1-CD2 4.3Å; V20-L88 HydrophobicContact CG1-CG 4.1Å; V20-L88 HydrophobicContact CG2-CD2 3.96Å; V20-L88 HydrophobicContact CG2-CG 4.39Å; F41-L88 HydrophobicContact CE1-CD2 4.4Å; F41-L88 HydrophobicContact CZ-CD2 4.42Å; L83-L88 HydrophobicContact CD1-CB 4.17Å; L83-L88 HydrophobicContact CD1-CD2 4.28Å; I85-L88 HydrophobicContact CD1-CB 4.26Å; I85-L88 HydrophobicContact CD1-CD2 3.85Å; I85-L88 WeakPolarHBondContact O-CB 3.35Å; I85-L88 PolarHBondContact O-N 3.19Å; D86-L88 VanDerWaalsContact C-N 3.33Å; L88-H90 VanDerWaalsContact C-N 3.33Å; L88-H90 PolarHBondContact O-N 2.95Å; L88-C91 PolarHBondContact O-N 2.72Å; L88-I92 HydrophobicContact CD1-CG2 4.14Å; L88-I92 HydrophobicContact CG-CD1 4.4Å; L88-I92 WeakPolarHBondContact O-CG1 2.93Å; L88-I92 PolarHBondContact O-N 2.82Å; L88-I92 VanDerWaalsContact O-N 3.12Å; L88-I147 HydrophobicContact CD1-CD1 4.49Å; L88-I159 HydrophobicContact CD1-CD1 3.38Å; L88-I159 HydrophobicContact CD1-CG1 4.38Å; L88-I177 VanDerWaalsContact CA-CD1 3.41Å; L88-I177 HydrophobicContact CB-CD1 3.94Å; L88-I177 HydrophobicContact CD1-CD1 4.29Å
89L93.3Very high79.2Confident18 Ų1852.9 Ų52.99%0.09427%0.274CS..Hα-helixtrans-56.3-46.3176.3-17957.4000111.7V20 Q21 A24 I85 D86 C91 I92 R93V20-L89 HydrophobicContact CG1-CB 3.81Å; V20-L89 HydrophobicContact CG1-CD1 4.17Å; Q21-L89 HydrophobicContact CB-CD1 3.71Å; Q21-L89 HydrophobicContact CB-CD2 4.28Å; Q21-L89 HydrophobicContact CG-CD1 4.32Å; Q21-L89 HydrophobicContact CG-CD2 4.19Å; A24-L89 HydrophobicContact CB-CD2 3.87Å; I85-L89 PolarHBondContact O-N 2.98Å; D86-L89 PolarHBondContact O-N 3.45Å; L89-C91 VanDerWaalsContact C-N 3.28Å; L89-C91 PolarHBondContact O-N 3.17Å; L89-I92 PolarHBondContact O-N 3.11Å; L89-R93 VanDerWaalsContact O-CB 3.24Å; L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 PolarHBondContact O-N 3.49Å
90H90.8Very high76.3Confident135 Ų13559 Ų5963%0.62532%0.317SS*.Hα-helixtrans-62.4-36179.9-175.871.1000112.5D86 L88D86-H90 WeakPolarHBondContact O-CB 2.95Å; D86-H90 PolarHBondContact O-N 3.16Å; L88-H90 VanDerWaalsContact C-N 3.33Å; L88-H90 PolarHBondContact O-N 2.95Å
91C90Very high73.1Confident14 Ų1462 Ų6210%0.09535%0.349CS..Hα-helixtrans-68.5-48.2177.9-63.80000111.5H87 L88 L89 I159 L161 H175H87-C91 PolarHBondContact O-N 2.74Å; H87-C91 PolarHBondContact O-SG 3.14Å; L88-C91 PolarHBondContact O-N 2.72Å; L89-C91 VanDerWaalsContact C-N 3.28Å; L89-C91 PolarHBondContact O-N 3.17Å; C91-I159 HydrophobicContact CB-CD1 3.83Å; C91-L161 WeakPolarHBondContact O-CD1 3.29Å; C91-H175 HydrophobicContact CB-CB 4.15Å; C91-H175 WeakPolarHBondContact SG-CB 3.37Å; C91-H175 VanDerWaalsContact SG-CG 3.53Å
92I88.6Confident69.8Low0 Ų073.5 Ų73.50%039%0.393CS..Hα-helixtrans-87-11.5-171.568.5-174.4000114.1F16 V20 L88 L89 L142 L145 I159 L161F16-I92 HydrophobicContact CD1-CD1 3.83Å; F16-I92 HydrophobicContact CE1-CD1 3.87Å; V20-I92 HydrophobicContact CB-CD1 3.79Å; V20-I92 HydrophobicContact CG1-CD1 3.88Å; V20-I92 HydrophobicContact CG2-CD1 3.76Å; L88-I92 HydrophobicContact CD1-CG2 4.14Å; L88-I92 HydrophobicContact CG-CD1 4.4Å; L88-I92 WeakPolarHBondContact O-CG1 2.93Å; L88-I92 PolarHBondContact O-N 2.82Å; L88-I92 VanDerWaalsContact O-N 3.12Å; L89-I92 PolarHBondContact O-N 3.11Å; I92-L142 VanDerWaalsContact O-CD1 3.28Å; I92-L142 WeakPolarHBondContact O-CD1 3.46Å; I92-L145 HydrophobicContact CG2-CD1 4.05Å; I92-I159 HydrophobicContact CG2-CG2 4.35Å; I92-L161 HydrophobicContact CG2-CD2 4.41Å
93R81.8Confident66.4Low116 Ų11678 Ų7844%0.43842%0.419SS..SBendtrans-64.5128.9180-174.4170.9-179.1153.6-4.2109.5L89 N95L89-R93 VanDerWaalsContact O-CB 3.24Å; L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 PolarHBondContact O-N 3.49Å; R93-N95 PolarHBondContact O-N 3.31Å
94P64.3Low63.5Low58 Ų5883.4 Ų83.438%0.37745%0.454SS..  trans-59.2114.2174.520-28.9000109T96P94-T96 PolarHBondContact O-N 3.45Å; P94-T96 VanDerWaalsContact O-N 3.09Å
95N52.7Low60.3Low77 Ų7787.8 Ų87.841%0.41248%0.477SS..  trans-68.9106.5178.6-108.3-9.3000108.3R93 Q97R93-N95 PolarHBondContact O-N 3.31Å; N95-Q97 PolarHBondContact O-N 3.32Å
96T47.5Very low57.1Low76 Ų7698.6 Ų98.647%0.46652%0.52SS..SBendtrans-73.9-7.9165.151.90000111.9P94 Q137P94-T96 PolarHBondContact O-N 3.45Å; P94-T96 VanDerWaalsContact O-N 3.09Å; T96-Q137 PolarHBondContact O-NE2 3.5Å
97Q36Very low53.9Low139 Ų13998.7 Ų98.765%0.6554%0.537SS*.  trans-14643.2-170.3-60.2-176.62800114.2N95 T99N95-Q97 PolarHBondContact O-N 3.32Å; Q97-T99 PolarHBondContact O-N 2.76Å
98S35Very low50.7Low51 Ų5199.4 Ų99.436%0.35755%0.553SS.*  trans-7761.5158.459.30000109.8
99T29.6Very low47.5Very low115 Ų115107.9 Ų107.971%0.70660%0.598SS**  trans-79.7111.4155.649.30000106.1Q97 G101Q97-T99 PolarHBondContact O-N 2.76Å; T99-G101 PolarHBondContact O-N 3.49Å
100S32.2Very low44.4Very low129 Ų129111.7 Ų111.790%0.90263%0.627SS**SBendtrans-47.5115.3169.3-47.60000109.8
101G27.7Very low41.5Very low69 Ų69111.9 Ų111.971%0.71164%0.637SS**  trans92.985.5163.200000117.5T99T99-G101 PolarHBondContact O-N 3.49Å
102R27.1Very low38.8Very low242 Ų242115.6 Ų115.691%0.91366%0.663SS**  -175.1122124.5-116.8175.7171.8178.2-3.2110.9P104R102-P104 WeakPolarHBondContact O-CD 3.47Å
103N26.7Very low36.1Very low163 Ų163119.9 Ų119.987%0.87269%0.69SS**PPolyproline II helixtrans-52.5126.5171.8-80.7-22.2000112.5
104P33.7Very low33.6Very low119 Ų119118.1 Ų118.177%0.77370%0.695SS**PPolyproline II helixtrans-93.3132.3146.49.511.3000108.7R102 Y106R102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-Y106 PolarHBondContact O-N 2.96Å
105L28.2Very low32.1Very low156 Ų156123.3 Ų123.382%0.81771%0.709SS**SBendtrans-46.8124.6-177.1-67.174.3000112.5
106Y29.7Very low31.3Very low227 Ų227124.5 Ų124.589%0.8972%0.718SS**  174.4121122.1-105.5-84.8000108P104 S108P104-Y106 PolarHBondContact O-N 2.96Å; Y106-S108 PolarHBondContact O-N 3.41Å
107G26.6Very low30.7Very low72 Ų72126.2 Ų126.274%0.74273%0.734SS**  trans-65.3131.3-178.200000111.8
108S28.2Very low30.7Very low108 Ų108125.1 Ų125.176%0.75574%0.736SS**  trans-148.4112.4154.9-75.50000107.1Y106 S110Y106-S108 PolarHBondContact O-N 3.41Å; S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.06Å
109N27.3Very low30.5Very low182 Ų182130.4 Ų130.497%0.97376%0.76SS**  trans-61.292.2179.8-77.3-11.3000110.1
110S28.5Very low30.4Very low98 Ų98134.6 Ų134.669%0.68577%0.769SS**  trans-136.7102.5158.151.30000107.4S108 S112S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.06Å; S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.28Å
111T29.4Very low30.2Very low138 Ų138134.1 Ų134.185%0.84777%0.766SS**  trans-70.680.6178.937.80000109.7T113T111-T113 PolarHBondContact O-N 3.43Å
112S33.2Very low30.2Very low92 Ų92141.7 Ų141.764%0.64377%0.773SS**  trans-78.2101.3162.3-84.70000108.8S110 S114S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.28Å; S112-S114 PolarHBondContact O-N 3.04Å; S112-S114 VanDerWaalsContact O-N 3.17Å
113T32Very low30.4Very low90 Ų90138.4 Ų138.455%0.55277%0.771SS**  trans-75.797.2171.6-36.80000108.9T111 Y115T111-T113 PolarHBondContact O-N 3.43Å; T113-Y115 HydrophobicContact CG2-CD2 4.5Å; T113-Y115 HydrophobicContact CG2-CE1 4.14Å; T113-Y115 HydrophobicContact CG2-CE2 3.76Å
114S29.2Very low30.5Very low80 Ų80133.7 Ų133.756%0.55976%0.762SS**  trans-79.4123.4171-60.90000109.8S112S112-S114 PolarHBondContact O-N 3.04Å; S112-S114 VanDerWaalsContact O-N 3.17Å
115Y34.1Very low30.3Very low167 Ų167133.9 Ų133.966%0.65577%0.766SS**  trans-103.6114170.1-60.5-86.7000108.1T113T113-Y115 HydrophobicContact CG2-CD2 4.5Å; T113-Y115 HydrophobicContact CG2-CE1 4.14Å; T113-Y115 HydrophobicContact CG2-CE2 3.76Å
116T35.8Very low30.4Very low101 Ų101134 Ų13462%0.6277%0.767SS**  trans-100.9114.2163.754.80000107.9V118T116-V118 PolarHBondContact O-N 2.87Å
117S34.8Very low30.4Very low112 Ų112128.6 Ų128.678%0.78376%0.763SS**  trans-74109.5169.454.90000108.8
118V35.4Very low30.7Very low116 Ų116131.2 Ų131.270%0.70376%0.764SS**  trans-106.9110.8172.9-156.60000107.5T116 K120T116-V118 PolarHBondContact O-N 2.87Å; V118-K120 PolarHBondContact O-N 3.14Å
119N30.8Very low30.8Very low162 Ų162132.7 Ų132.787%0.86677%0.769SS**  trans-70.6117.2169.8-96.5-0.5000108.6S121N119-S121 PolarHBondContact O-N 3.06Å
120K26.8Very low30.8Very low204 Ų204127.2 Ų127.289%0.88776%0.755SS**  trans-78.2108.3175.2-78.1177.1176.3170.20109.6V118V118-K120 PolarHBondContact O-N 3.14Å
121S29.5Very low30.9Very low119 Ų119131 Ų13183%0.83276%0.764SS**  trans-103.7121.2150.649.60000108.8N119N119-S121 PolarHBondContact O-N 3.06Å
122R27.4Very low31.1Very low227 Ų227132.9 Ų132.986%0.85777%0.767SS**  trans-81.4158.2167.7-77.8-179.7-179.6-174.9-0.3109
123I31.6Very low31.3Very low173 Ų173132.8 Ų132.889%0.88777%0.766SS**  trans122.5103172.4-64.6152.2000105.4
124G27.3Very low31.3Very low65 Ų65135.9 Ų135.967%0.6778%0.78SS**  cis108.290.235.300000108
125S30.6Very low31.7Very low123 Ų123138.9 Ų138.986%0.8679%0.789SS**  trans173.6138.9147.830.30000112
126N30.9Very low32Very low158 Ų158138 Ų13885%0.84580%0.796SS**  trans-84.8148.9-176.1-55.7-37.3000110.8
127S28.3Very low32.3Very low113 Ų113138.5 Ų138.579%0.7979%0.791SS**  159.6135.9124.452.80000114.2
128V33.6Very low32.8Very low128 Ų128136 Ų13678%0.77677%0.774SS**  trans73.595.9141.9-178.80000119.4
129T29.8Very low33.8Very low139 Ų139133.9 Ų133.985%0.85376%0.76SS**  23.3121.5120.3-31.60000119.5
130G28.1Very low35.4Very low67 Ų67126.8 Ų126.869%0.69172%0.723SS**  trans110.1104.5151.500000113.1
131M30.1Very low37.8Very low177 Ų177125.9 Ų125.987%0.87271%0.714SS**  trans170.8103.3136.9-82.3-96.2-9400107.1S133M131-S133 PolarHBondContact O-N 2.93Å
132I33.3Very low40.4Very low177 Ų177121 Ų12191%0.90868%0.679SS**  trans-77.268.8171.7-48.4164.8000105.9
133S36.9Very low43.4Very low90 Ų90113.4 Ų113.463%0.62966%0.655SS**  trans-84.4113.8165.457.90000106M131 L135M131-S133 PolarHBondContact O-N 2.93Å; S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.2Å
134N33.5Very low46.3Very low156 Ų156105.3 Ų105.383%0.83461%0.614SS**  trans-20.194.5165.5-66.4-28.1000109.9D136N134-D136 PolarHBondContact O-N 3.25Å
135L37.4Very low49.5Very low143 Ų143102.2 Ų102.275%0.74958%0.582SS**  trans-67.893.6178.3177.368.3000102.9S133 Q137S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.2Å; L135-Q137 VanDerWaalsContact C-N 3.26Å; L135-Q137 VanDerWaalsContact O-CA 3.23Å; L135-Q137 WeakPolarHBondContact O-CA 3.31Å; L135-Q137 PolarHBondContact O-N 3.12Å
136D41.1Very low52.6Low149 Ų14998.1 Ų98.180%0.79755%0.549SS*.  trans-45.1103.8174-162.56.8000104.5N134 S138N134-D136 PolarHBondContact O-N 3.25Å; D136-S138 VanDerWaalsContact C-N 3.33Å; D136-S138 VanDerWaalsContact O-CA 3.23Å; D136-S138 WeakPolarHBondContact O-CA 3.23Å; D136-S138 PolarHBondContact O-N 2.95Å
137Q41.9Very low55.7Low111 Ų11190.9 Ų90.952%0.51951%0.51SS..  trans-48.4102.8-156.2178.2163.511.900106T96 L135 V139T96-Q137 PolarHBondContact O-NE2 3.5Å; L135-Q137 VanDerWaalsContact C-N 3.26Å; L135-Q137 VanDerWaalsContact O-CA 3.23Å; L135-Q137 WeakPolarHBondContact O-CA 3.31Å; L135-Q137 PolarHBondContact O-N 3.12Å; Q137-V139 WeakPolarHBondContact O-CG2 3.13Å; Q137-V139 PolarHBondContact O-N 2.82Å
138S44.7Very low58.9Low60 Ų6087.8 Ų87.842%0.4248%0.483SS..  trans-68.385.1-159.760.70000107.5D136 C140D136-S138 VanDerWaalsContact C-N 3.33Å; D136-S138 VanDerWaalsContact O-CA 3.23Å; D136-S138 WeakPolarHBondContact O-CA 3.23Å; D136-S138 PolarHBondContact O-N 2.95Å; S138-C140 PolarHBondContact O-N 2.82Å
139V55.8Low61.9Low70 Ų7083.1 Ų83.142%0.42445%0.453SS..  trans-65.1108.3-174.3-176.60000102.8Q137 R141Q137-V139 WeakPolarHBondContact O-CG2 3.13Å; Q137-V139 PolarHBondContact O-N 2.82Å; V139-R141 VanDerWaalsContact C-N 3.27Å; V139-R141 WeakPolarHBondContact O-CG 3.29Å; V139-R141 PolarHBondContact O-N 3.36Å
140C64.5Low65Low14 Ų1478.7 Ų78.710%0.09543%0.426CS..  trans-59.1100.7173.7-73.20000106.1S138 R171S138-C140 PolarHBondContact O-N 2.82Å; C140-R171 PolarHBondContact SG-NH2 3.06Å
141R76.9Confident68.1Low185 Ų18586.7 Ų86.770%0.69844%0.435SS*.  trans-73132.7179.4-63.1-173.7-177.9-179.10.3107.9V139 Q163 S164V139-R141 VanDerWaalsContact C-N 3.27Å; V139-R141 WeakPolarHBondContact O-CG 3.29Å; V139-R141 PolarHBondContact O-N 3.36Å; R141-Q163 WeakPolarHBondContact O-CA 3.43Å; R141-S164 PolarHBondContact N-OG 2.88Å; R141-S164 PolarHBondContact O-N 2.88Å; R141-S164 PolarHBondContact O-OG 2.86Å; R141-S164 VanDerWaalsContact O-OG 3.08Å
142L85.5Confident70.9Confident17 Ų1785.3 Ų85.39%0.08942%0.42CS..EExtended strand (participates in β ladder)trans-74.2122.9170.6-68.8168000108.2I13 I92 L161 Q163I13-L142 HydrophobicContact CD1-CB 4.2Å; I13-L142 HydrophobicContact CG2-CB 4.06Å; I13-L142 HydrophobicContact CG2-CD1 3.75Å; I92-L142 VanDerWaalsContact O-CD1 3.28Å; I92-L142 WeakPolarHBondContact O-CD1 3.46Å; L142-L161 HydrophobicContact CD2-CB 3.81Å; L142-L161 HydrophobicContact CD2-CD1 4.38Å; L142-L161 HydrophobicContact CD2-CD2 3.96Å; L142-L161 HydrophobicContact CD2-CG 4.25Å; L142-Q163 HydrophobicContact CD2-CG 3.58Å
143L89.3Confident73.6Confident66 Ų6687.2 Ų87.235%0.34642%0.422SS..EExtended strand (participates in β ladder)trans-98.3-26.7177.7-57.7177.8000111.2N8 E162 P170N8-L143 CarbonylContact C-O 3.56Å; N8-L143 WeakPolarHBondContact CA-O 3.45Å; N8-L143 VanDerWaalsContact O-O 3.12Å; L143-E162 HydrophobicContact CB-CB 4.47Å; L143-E162 HydrophobicContact CB-CG 4.28Å; L143-E162 PolarHBondContact N-O 2.98Å; L143-P170 HydrophobicContact CD1-CB 4.27Å
144G92.4Very high76.2Confident3 Ų386.6 Ų86.63%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-156145.7-177.800000112.2T7 L161 E162T7-G144 WeakPolarHBondContact O-CA 3.2Å; G144-L161 WeakPolarHBondContact O-CA 3.38Å; G144-E162 PolarHBondContact N-O 2.77Å; G144-E162 PolarHBondContact O-N 2.89Å
145L95.1Very high79.1Confident1 Ų181.1 Ų81.11%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-128.1126.7174.6170.263.9000108.3K6 T7 I13 F16 F64 I92 I147 I159 L161K6-L145 CarbonylContact C-O 3.5Å; K6-L145 VanDerWaalsContact CA-O 3.26Å; K6-L145 WeakPolarHBondContact CA-O 3.27Å; T7-L145 HydrophobicContact CG2-CB 4.07Å; T7-L145 PolarHBondContact N-O 3.35Å; T7-L145 PolarHBondContact O-N 3.42Å; I13-L145 HydrophobicContact CD1-CB 3.94Å; I13-L145 HydrophobicContact CG1-CB 3.79Å; I13-L145 HydrophobicContact CG2-CB 4.48Å; F16-L145 HydrophobicContact CD1-CD2 3.71Å; F16-L145 HydrophobicContact CE1-CD2 4.14Å; F64-L145 HydrophobicContact CE1-CD2 3.94Å; F64-L145 HydrophobicContact CE1-CG 4.35Å; F64-L145 HydrophobicContact CZ-CD2 4.08Å; I92-L145 HydrophobicContact CG2-CD1 4.05Å; L145-I147 HydrophobicContact CD1-CD1 4.19Å; L145-I147 HydrophobicContact CD1-CG1 3.86Å; L145-I147 HydrophobicContact CD2-CD1 4.28Å; L145-I147 HydrophobicContact CG-CD1 4.38Å; L145-I147 HydrophobicContact CG-CG1 4.17Å; L145-I159 HydrophobicContact CD1-CG2 3.72Å; L145-L161 HydrophobicContact CD1-CD2 3.49Å; L145-L161 VanDerWaalsContact CD1-CD2 3.49Å
146K95.6Very high81.9Confident37 Ų3774.8 Ų74.816%0.16136%0.355CS..EExtended strand (participates in β ladder)trans-130.8124.9173.3-176.6-174.1-52.6146.60109.6I5 K6 K148 I159 E160I5-K146 CarbonylContact O-C 3.57Å; I5-K146 WeakPolarHBondContact O-CA 3.48Å; K6-K146 HydrophobicContact CB-CB 4.23Å; K6-K146 HydrophobicContact CB-CG 4.1Å; K6-K146 HydrophobicContact CG-CB 4.12Å; K6-K146 HydrophobicContact CG-CG 4.36Å; K146-K148 HydrophobicContact CD-CD 4.33Å; K146-K148 VanDerWaalsContact CD-CE 3.44Å; K146-K148 HydrophobicContact CG-CG 4.44Å; K146-I159 CarbonylContact O-C 3.55Å; K146-I159 WeakPolarHBondContact O-CA 3.38Å; K146-E160 HydrophobicContact CB-CB 4.19Å; K146-E160 VanDerWaalsContact CD-OE2 3.28Å; K146-E160 WeakPolarHBondContact CD-OE2 3.34Å; K146-E160 WeakPolarHBondContact CE-OE2 3.44Å; K146-E160 PolarHBondContact N-O 2.72Å; K146-E160 IonicContact NZ-OE1 3.76Å; K146-E160 IonicContact NZ-OE2 2.64Å; K146-E160 PolarHBondContact NZ-OE2 2.58Å; K146-E160 PolarHBondContact O-N 3.26Å
147I96.5Very high84.6Confident6 Ų667.8 Ų67.83%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-117.4132.6179.6-53.6-179.2000108.1F3 R4 I5 F16 L88 L145 L157 A158 I159F3-I147 HydrophobicContact CE1-CG2 4.11Å; R4-I147 CarbonylContact C-O 3.52Å; R4-I147 VanDerWaalsContact CA-O 3.29Å; R4-I147 WeakPolarHBondContact CA-O 3.34Å; I5-I147 HydrophobicContact CD1-CB 4.18Å; I5-I147 HydrophobicContact CD1-CD1 4.22Å; I5-I147 HydrophobicContact CG1-CB 3.75Å; I5-I147 HydrophobicContact CG1-CG1 4.39Å; I5-I147 PolarHBondContact N-O 3.32Å; I5-I147 PolarHBondContact O-N 2.92Å; F16-I147 HydrophobicContact CE1-CD1 3.87Å; F16-I147 HydrophobicContact CZ-CD1 4.15Å; L88-I147 HydrophobicContact CD1-CD1 4.49Å; L145-I147 HydrophobicContact CD1-CD1 4.19Å; L145-I147 HydrophobicContact CD1-CG1 3.86Å; L145-I147 HydrophobicContact CD2-CD1 4.28Å; L145-I147 HydrophobicContact CG-CD1 4.38Å; L145-I147 HydrophobicContact CG-CG1 4.17Å; I147-L157 HydrophobicContact CG2-CD2 3.81Å; I147-A158 CarbonylContact C-O 3.53Å; I147-A158 WeakPolarHBondContact CA-O 3.43Å; I147-I159 HydrophobicContact CG1-CG1 4.39Å; I147-I159 HydrophobicContact CG1-CG2 4.5Å; I147-I159 HydrophobicContact CG2-CG1 4.46Å
148K95.7Very high87.2Confident48 Ų4862.5 Ų62.521%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-138.2142.8-178.3-71.3170.1173.2164.80111.4F3 R4 K146 V150 L157 A158F3-K148 VanDerWaalsContact O-CA 3.28Å; F3-K148 WeakPolarHBondContact O-CA 3.35Å; R4-K148 HydrophobicContact CB-CG 3.93Å; R4-K148 VanDerWaalsContact CD-CE 3.48Å; R4-K148 HydrophobicContact CG-CD 4.41Å; R4-K148 HydrophobicContact CG-CG 3.74Å; K146-K148 HydrophobicContact CD-CD 4.33Å; K146-K148 VanDerWaalsContact CD-CE 3.44Å; K146-K148 HydrophobicContact CG-CG 4.44Å; K148-V150 HydrophobicContact CB-CG1 4.31Å; K148-L157 CarbonylContact O-C 3.5Å; K148-L157 WeakPolarHBondContact O-CA 3.48Å; K148-A158 HydrophobicContact CB-CB 4.47Å; K148-A158 PolarHBondContact N-O 2.75Å; K148-A158 PolarHBondContact O-N 2.97Å
149L95.8Very high89.6Confident29 Ų2959.6 Ų59.615%0.15227%0.272CS..EExtended strand (participates in β ladder)trans-83.5122.3165.3-175.462.8000109.1F3 I79 L81 P155 V179F3-L149 HydrophobicContact CB-CB 3.8Å; F3-L149 HydrophobicContact CD1-CB 4.32Å; F3-L149 PolarHBondContact O-N 2.74Å; I79-L149 HydrophobicContact CG2-CD2 4.38Å; L81-L149 HydrophobicContact CD1-CD1 4.03Å; L81-L149 HydrophobicContact CD2-CD1 4.25Å; L81-L149 HydrophobicContact CD2-CD2 4.34Å; L149-P155 HydrophobicContact CD1-CB 4.47Å; L149-V179 HydrophobicContact CD1-CG2 3.99Å
150V95.4Very high91.5Very high46 Ų4657.7 Ų57.728%0.27926%0.259SS..EExtended strand (participates in β ladder)trans-126.5148.9177.8-60.60000110.4K148 C156 A158 F176K148-V150 HydrophobicContact CB-CG1 4.31Å; V150-C156 HydrophobicContact CG2-CB 4Å; V150-C156 WeakPolarHBondContact CG2-O 3.5Å; V150-C156 PolarHBondContact N-O 2.79Å; V150-C156 PolarHBondContact O-N 2.87Å; V150-A158 HydrophobicContact CG1-CB 3.98Å; V150-A158 HydrophobicContact CG2-CB 3.82Å; V150-F176 HydrophobicContact CG2-CD1 4.26Å; V150-F176 HydrophobicContact CG2-CE1 4.34Å
151R91.8Very high92.9Very high235 Ų23557 Ų5789%0.88725%0.254SS*.EExtended strand (participates in β ladder)trans-104.9114.3174.6-170.6176.1-177.1-176.31.5109.5
152R89.5Confident93.6Very high149 Ų14951.6 Ų51.656%0.56224%0.237SC*.SBendtrans-108.9-128.2169.3-61.3-176.173.7177.70.9108.2T154R152-T154 VanDerWaalsContact C-N 3.3Å; R152-T154 PolarHBondContact N-O 3.32Å
153K89.9Confident93.7Very high217 Ų21751.7 Ų51.794%0.94324%0.237SC*.SBendtrans-66.5-37.1167.5-65.9-172.8178.9-175.80111.3
154T92Very high93.5Very high76 Ų7650.3 Ų50.347%0.46623%0.233SC..SBendtrans-125.3159.6171.7530000108.9R152R152-T154 VanDerWaalsContact C-N 3.3Å; R152-T154 PolarHBondContact N-O 3.32Å
155P95Very high92.8Very high42 Ų4251.3 Ų51.327%0.27324%0.239SC..EExtended strand (participates in β ladder)trans-64.9136.117020.8-22.1000110L149 V179 V181L149-P155 HydrophobicContact CD1-CB 4.47Å; P155-V179 HydrophobicContact CB-CG2 4.17Å; P155-V179 WeakPolarHBondContact CG-O 3.38Å; P155-V179 PolarHBondContact O-N 2.98Å; P155-V181 HydrophobicContact CB-CG2 4.16Å; P155-V181 HydrophobicContact CG-CG2 4Å
156C96.2Very high91.8Very high9 Ų957.2 Ų57.26%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-133.3143.2-178.7-63.20000110.8V150 A158 F176 I177V150-C156 HydrophobicContact CG2-CB 4Å; V150-C156 WeakPolarHBondContact CG2-O 3.5Å; V150-C156 PolarHBondContact N-O 2.79Å; V150-C156 PolarHBondContact O-N 2.87Å; C156-A158 PolarHBondContact O-N 2.87Å; C156-F176 HydrophobicContact CB-CB 4.48Å; C156-I177 CarbonylContact C-O 3.58Å; C156-I177 WeakPolarHBondContact CA-O 3.5Å
157L96.7Very high91Very high2 Ų260.7 Ų60.71%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-80108.3158.2-77169.3000108.5F3 L32 L81 L83 I147 K148 I177 V179F3-L157 HydrophobicContact CD1-CD2 4.27Å; F3-L157 HydrophobicContact CE1-CD2 4.23Å; L32-L157 HydrophobicContact CD2-CD1 4.03Å; L81-L157 HydrophobicContact CD1-CD2 4.07Å; L81-L157 HydrophobicContact CD1-CG 4.34Å; L83-L157 HydrophobicContact CD1-CD1 4.15Å; L83-L157 HydrophobicContact CD2-CD1 4.47Å; I147-L157 HydrophobicContact CG2-CD2 3.81Å; K148-L157 CarbonylContact O-C 3.5Å; K148-L157 WeakPolarHBondContact O-CA 3.48Å; L157-I177 HydrophobicContact CB-CB 4.42Å; L157-I177 PolarHBondContact N-O 2.85Å; L157-I177 PolarHBondContact O-N 3.08Å; L157-V179 HydrophobicContact CB-CG1 4.16Å; L157-V179 HydrophobicContact CD1-CG1 3.65Å; L157-V179 HydrophobicContact CG-CG1 3.7Å
158A96.3Very high90.1Very high0 Ų063.6 Ų63.60%033%0.331CS..EExtended strand (participates in β ladder)trans-83.8123.117100000109.4I147 K148 V150 C156 W174 H175 F176I147-A158 CarbonylContact C-O 3.53Å; I147-A158 WeakPolarHBondContact CA-O 3.43Å; K148-A158 HydrophobicContact CB-CB 4.47Å; K148-A158 PolarHBondContact N-O 2.75Å; K148-A158 PolarHBondContact O-N 2.97Å; V150-A158 HydrophobicContact CG1-CB 3.98Å; V150-A158 HydrophobicContact CG2-CB 3.82Å; C156-A158 PolarHBondContact O-N 2.87Å; A158-W174 HydrophobicContact CB-CE3 4.3Å; A158-W174 HydrophobicContact CB-CZ3 4.04Å; A158-H175 CarbonylContact C-O 3.49Å; A158-H175 WeakPolarHBondContact CA-O 3.34Å; A158-F176 HydrophobicContact CB-CD1 3.83Å; A158-F176 HydrophobicContact CB-CE1 3.74Å
159I96.2Very high89.4Confident0 Ų068 Ų680%035%0.352CS..EExtended strand (participates in β ladder)trans-115.1117-179.3-55.9167.5000107.4L88 C91 I92 L145 K146 I147 L161 W174 H175 I177L88-I159 HydrophobicContact CD1-CD1 3.38Å; L88-I159 HydrophobicContact CD1-CG1 4.38Å; C91-I159 HydrophobicContact CB-CD1 3.83Å; I92-I159 HydrophobicContact CG2-CG2 4.35Å; L145-I159 HydrophobicContact CD1-CG2 3.72Å; K146-I159 CarbonylContact O-C 3.55Å; K146-I159 WeakPolarHBondContact O-CA 3.38Å; I147-I159 HydrophobicContact CG1-CG1 4.39Å; I147-I159 HydrophobicContact CG1-CG2 4.5Å; I147-I159 HydrophobicContact CG2-CG1 4.46Å; I159-L161 HydrophobicContact CG2-CD2 3.95Å; I159-L161 HydrophobicContact CG2-CG 4.05Å; I159-W174 CarbonylContact O-C 3.56Å; I159-W174 WeakPolarHBondContact O-CA 3.24Å; I159-H175 HydrophobicContact CB-CB 4.35Å; I159-H175 PolarHBondContact N-O 2.81Å; I159-H175 PolarHBondContact O-N 2.83Å; I159-I177 HydrophobicContact CD1-CD1 3.41Å; I159-I177 VanDerWaalsContact CD1-CD1 3.41Å; I159-I177 HydrophobicContact CD1-CG1 4.05Å
160E95.1Very high88.8Confident29 Ų2970.3 Ų70.314%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-104.8123.1172.2178.8-178.2-163.100108.8K146 V173 W174K146-E160 HydrophobicContact CB-CB 4.19Å; K146-E160 VanDerWaalsContact CD-OE2 3.28Å; K146-E160 WeakPolarHBondContact CD-OE2 3.34Å; K146-E160 WeakPolarHBondContact CE-OE2 3.44Å; K146-E160 PolarHBondContact N-O 2.72Å; K146-E160 IonicContact NZ-OE1 3.76Å; K146-E160 IonicContact NZ-OE2 2.64Å; K146-E160 PolarHBondContact NZ-OE2 2.58Å; K146-E160 PolarHBondContact O-N 3.26Å; E160-V173 WeakPolarHBondContact CA-O 3.48Å; E160-W174 HydrophobicContact CB-CD2 3.86Å; E160-W174 HydrophobicContact CB-CE3 3.78Å; E160-W174 HydrophobicContact CB-CH2 3.6Å; E160-W174 HydrophobicContact CB-CZ2 3.67Å; E160-W174 HydrophobicContact CB-CZ3 3.65Å; E160-W174 HydrophobicContact CG-CD2 4.17Å; E160-W174 HydrophobicContact CG-CH2 4.07Å; E160-W174 HydrophobicContact CG-CZ2 3.62Å; E160-W174 WeakPolarHBondContact OE2-CH2 3.49Å; E160-W174 WeakPolarHBondContact OE2-CZ2 3.39Å
161L93.2Very high88.5Confident1 Ų172.4 Ų72.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-113117.7178.4-59.7167.9000108.2C91 I92 L142 G144 L145 I159 Q163 S172 V173C91-L161 WeakPolarHBondContact O-CD1 3.29Å; I92-L161 HydrophobicContact CG2-CD2 4.41Å; L142-L161 HydrophobicContact CD2-CB 3.81Å; L142-L161 HydrophobicContact CD2-CD1 4.38Å; L142-L161 HydrophobicContact CD2-CD2 3.96Å; L142-L161 HydrophobicContact CD2-CG 4.25Å; G144-L161 WeakPolarHBondContact O-CA 3.38Å; L145-L161 HydrophobicContact CD1-CD2 3.49Å; L145-L161 VanDerWaalsContact CD1-CD2 3.49Å; I159-L161 HydrophobicContact CG2-CD2 3.95Å; I159-L161 HydrophobicContact CG2-CG 4.05Å; L161-Q163 HydrophobicContact CB-CG 4.46Å; L161-S172 CarbonylContact O-C 3.36Å; L161-S172 WeakPolarHBondContact O-CA 3.2Å; L161-V173 PolarHBondContact N-O 2.78Å; L161-V173 PolarHBondContact O-N 2.86Å
162E91.8Very high88.3Confident71 Ų7163.4 Ų63.433%0.33235%0.345SS..EExtended strand (participates in β ladder)trans-87.1120.3169.3-169.8172.4-179.900108.1L143 G144 P170L143-E162 HydrophobicContact CB-CB 4.47Å; L143-E162 HydrophobicContact CB-CG 4.28Å; L143-E162 PolarHBondContact N-O 2.98Å; G144-E162 PolarHBondContact N-O 2.77Å; G144-E162 PolarHBondContact O-N 2.89Å; E162-P170 HydrophobicContact CG-CB 4.12Å
163Q88.4Confident88.4Confident18 Ų1857.4 Ų57.48%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-121.3139.6-174.3-70.9172.416.700110.1R141 L142 L161 P170 R171R141-Q163 WeakPolarHBondContact O-CA 3.43Å; L142-Q163 HydrophobicContact CD2-CG 3.58Å; L161-Q163 HydrophobicContact CB-CG 4.46Å; Q163-P170 CarbonylContact O-C 3.57Å; Q163-P170 WeakPolarHBondContact O-CA 3.21Å; Q163-R171 HydrophobicContact CB-CG 3.88Å; Q163-R171 PolarHBondContact N-O 2.83Å; Q163-R171 PolarHBondContact O-N 2.93Å
164S84.6Confident88.5Confident37 Ų3751 Ų5126%0.25929%0.294SS..  trans-61.2146.2162.153.60000110.2R141R141-S164 PolarHBondContact N-OG 2.88Å; R141-S164 PolarHBondContact O-N 2.88Å; R141-S164 PolarHBondContact O-OG 2.86Å; R141-S164 VanDerWaalsContact O-OG 3.08Å
165S78.2Confident88.6Confident24 Ų2449.6 Ų49.617%0.16828%0.282CS..  trans-127.8159.9176.283.10000110.9T167 G168 H169S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 PolarHBondContact OG-N 3.42Å; S165-T167 PolarHBondContact OG-OG1 2.91Å; S165-G168 PolarHBondContact O-N 3.03Å; S165-H169 VanDerWaalsContact CB-O 3.28Å; S165-H169 WeakPolarHBondContact CB-O 3.26Å; S165-H169 PolarHBondContact OG-O 3.33Å
166V74.1Confident88.6Confident126 Ų12650.7 Ų50.776%0.76428%0.283SS*.THydrogen-bonded Turntrans-62.6-27.4178.1-175.20000111.7G168V166-G168 PolarHBondContact O-N 3.33Å
167T78.7Confident88.6Confident110 Ų11050.5 Ų50.568%0.67528%0.281SS*.THydrogen-bonded Turntrans-783.3177.4660000112.9S165 H169S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 PolarHBondContact OG-N 3.42Å; S165-T167 PolarHBondContact OG-OG1 2.91Å; T167-H169 PolarHBondContact O-N 3.09Å; T167-H169 PolarHBondContact O-ND1 2.98Å
168G77.4Confident88.6Confident66 Ų6654.3 Ų54.368%0.6831%0.306SS*.SBendtrans76.6-9.6-178.600000114.6S165 V166S165-G168 PolarHBondContact O-N 3.03Å; V166-G168 PolarHBondContact O-N 3.33Å
169H81.3Confident88.6Confident140 Ų14055 Ų5565%0.64831%0.31SS*.SBendtrans-94.4129.6-179.8-65.757.6000109.8S165 T167S165-H169 VanDerWaalsContact CB-O 3.28Å; S165-H169 WeakPolarHBondContact CB-O 3.26Å; S165-H169 PolarHBondContact OG-O 3.33Å; T167-H169 PolarHBondContact O-N 3.09Å; T167-H169 PolarHBondContact O-ND1 2.98Å
170P82.9Confident88.5Confident79 Ų7960.7 Ų60.751%0.51334%0.337SS..  trans-62.9141.1176.626.8-33.1000110.3L143 E162 Q163L143-P170 HydrophobicContact CD1-CB 4.27Å; E162-P170 HydrophobicContact CG-CB 4.12Å; Q163-P170 CarbonylContact O-C 3.57Å; Q163-P170 WeakPolarHBondContact O-CA 3.21Å
171R88.7Confident88.5Confident90 Ų9061.4 Ų61.434%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-115.5138.2176.169.9-176.8-172.1-159.11.2110C140 Q163 V173C140-R171 PolarHBondContact SG-NH2 3.06Å; Q163-R171 HydrophobicContact CB-CG 3.88Å; Q163-R171 PolarHBondContact N-O 2.83Å; Q163-R171 PolarHBondContact O-N 2.93Å; R171-V173 HydrophobicContact CG-CG2 4.49Å
172S88.8Confident88.6Confident46 Ų4661.8 Ų61.832%0.32235%0.345SS..EExtended strand (participates in β ladder)trans-96.5125.9170.6-62.80000110.4L161L161-S172 CarbonylContact O-C 3.36Å; L161-S172 WeakPolarHBondContact O-CA 3.2Å
173V90.4Very high88.6Confident22 Ų2260.6 Ų60.613%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-111.5131173.8-176.30000108.9E160 L161 R171 H175E160-V173 WeakPolarHBondContact CA-O 3.48Å; L161-V173 PolarHBondContact N-O 2.78Å; L161-V173 PolarHBondContact O-N 2.86Å; R171-V173 HydrophobicContact CG-CG2 4.49Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.46Å
174W92.6Very high88.8Confident83 Ų8361.8 Ų61.831%0.31435%0.353SS..EExtended strand (participates in β ladder)trans-108.4132179.6-73.888.7000111.6A158 I159 E160 F176A158-W174 HydrophobicContact CB-CE3 4.3Å; A158-W174 HydrophobicContact CB-CZ3 4.04Å; I159-W174 CarbonylContact O-C 3.56Å; I159-W174 WeakPolarHBondContact O-CA 3.24Å; E160-W174 HydrophobicContact CB-CD2 3.86Å; E160-W174 HydrophobicContact CB-CE3 3.78Å; E160-W174 HydrophobicContact CB-CH2 3.6Å; E160-W174 HydrophobicContact CB-CZ2 3.67Å; E160-W174 HydrophobicContact CB-CZ3 3.65Å; E160-W174 HydrophobicContact CG-CD2 4.17Å; E160-W174 HydrophobicContact CG-CH2 4.07Å; E160-W174 HydrophobicContact CG-CZ2 3.62Å; E160-W174 WeakPolarHBondContact OE2-CH2 3.49Å; E160-W174 WeakPolarHBondContact OE2-CZ2 3.39Å; W174-F176 HydrophobicContact CB-CE2 4.16Å; W174-F176 HydrophobicContact CE3-CZ 4.44Å
175H94.1Very high89.1Confident46 Ų4669 Ų6921%0.21338%0.375CS..EExtended strand (participates in β ladder)trans-121147.7169.3-58.3-90.9000110C91 A158 I159 V173C91-H175 HydrophobicContact CB-CB 4.15Å; C91-H175 WeakPolarHBondContact SG-CB 3.37Å; C91-H175 VanDerWaalsContact SG-CG 3.53Å; A158-H175 CarbonylContact C-O 3.49Å; A158-H175 WeakPolarHBondContact CA-O 3.34Å; I159-H175 HydrophobicContact CB-CB 4.35Å; I159-H175 PolarHBondContact N-O 2.81Å; I159-H175 PolarHBondContact O-N 2.83Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.46Å
176F96Very high89.8Confident66 Ų6670.1 Ų70.129%0.28938%0.379SS..EExtended strand (participates in β ladder)trans-127112.6177.4-63.4-87.3000108.9V150 C156 A158 W174V150-F176 HydrophobicContact CG2-CD1 4.26Å; V150-F176 HydrophobicContact CG2-CE1 4.34Å; C156-F176 HydrophobicContact CB-CB 4.48Å; A158-F176 HydrophobicContact CB-CD1 3.83Å; A158-F176 HydrophobicContact CB-CE1 3.74Å; W174-F176 HydrophobicContact CB-CE2 4.16Å; W174-F176 HydrophobicContact CE3-CZ 4.44Å
177I95.5Very high90.7Very high5 Ų565.5 Ų65.53%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-101.3116.7178.8-56.5-179.1000108.1H87 L88 C156 L157 I159 V179H87-I177 HydrophobicContact CB-CD1 4.05Å; H87-I177 HydrophobicContact CB-CG1 4.32Å; H87-I177 HydrophobicContact CB-CG2 3.98Å; L88-I177 VanDerWaalsContact CA-CD1 3.41Å; L88-I177 HydrophobicContact CB-CD1 3.94Å; L88-I177 HydrophobicContact CD1-CD1 4.29Å; C156-I177 CarbonylContact C-O 3.58Å; C156-I177 WeakPolarHBondContact CA-O 3.5Å; L157-I177 HydrophobicContact CB-CB 4.42Å; L157-I177 PolarHBondContact N-O 2.85Å; L157-I177 PolarHBondContact O-N 3.08Å; I159-I177 HydrophobicContact CD1-CD1 3.41Å; I159-I177 VanDerWaalsContact CD1-CD1 3.41Å; I159-I177 HydrophobicContact CD1-CG1 4.05Å; I177-V179 PolarHBondContact O-N 3.4Å
178P95.7Very high91.3Very high82 Ų8266.9 Ų66.953%0.53235%0.351SS..EExtended strand (participates in β ladder)trans-58.4134.2171.2-20.832.6000110.7
179V96.5Very high91.8Very high13 Ų1368.4 Ų68.48%0.07934%0.34CS..  trans-129.2158.1176.1-60.30000109.9L81 E82 L83 L149 P155 L157 I177L81-V179 HydrophobicContact CD1-CG2 4.45Å; L81-V179 HydrophobicContact CD2-CG2 4.18Å; E82-V179 WeakPolarHBondContact O-CA 3.44Å; L83-V179 HydrophobicContact CB-CG1 3.82Å; L149-V179 HydrophobicContact CD1-CG2 3.99Å; P155-V179 HydrophobicContact CB-CG2 4.17Å; P155-V179 WeakPolarHBondContact CG-O 3.38Å; P155-V179 PolarHBondContact O-N 2.98Å; L157-V179 HydrophobicContact CB-CG1 4.16Å; L157-V179 HydrophobicContact CD1-CG1 3.65Å; L157-V179 HydrophobicContact CG-CG1 3.7Å; I177-V179 PolarHBondContact O-N 3.4Å
180Q95.7Very high92.2Very high120 Ų12062.9 Ų62.956%0.56131%0.314SS*.EExtended strand (participates in β ladder)trans-108.1127171.5173.9171.7-16.700109.2L81 E82 V182L81-Q180 CarbonylContact C-O 3.51Å; L81-Q180 WeakPolarHBondContact CA-O 3.47Å; E82-Q180 HydrophobicContact CB-CB 4.23Å; E82-Q180 PolarHBondContact N-O 3.37Å; E82-Q180 PolarHBondContact O-N 2.91Å; Q180-V182 PolarHBondContact O-N 2.89Å
181V94.5Very high92.5Very high44 Ų4463.6 Ų63.627%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-78.2123.7174.5-178.70000108.2M1 L81 P155 P183M1-V181 HydrophobicContact CE-CG1 4.02Å; M1-V181 HydrophobicContact CE-CG2 4.42Å; M1-V181 HydrophobicContact SD-CG1 4.29Å; L81-V181 HydrophobicContact CD2-CB 4.45Å; L81-V181 HydrophobicContact CD2-CG2 3.86Å; P155-V181 HydrophobicContact CB-CG2 4.16Å; P155-V181 HydrophobicContact CG-CG2 4Å; V181-P183 WeakPolarHBondContact O-CD 3.31Å
182V94.8Very high92.5Very high9 Ų962.4 Ų62.46%0.05532%0.315CS..PPolyproline II helixtrans-77.6122.2176.8179.60000109I31 F80 E82 Q180 L186 W187 F190I31-V182 HydrophobicContact CD1-CG2 4.2Å; F80-V182 HydrophobicContact CB-CB 3.68Å; F80-V182 HydrophobicContact CB-CG1 4.33Å; F80-V182 HydrophobicContact CB-CG2 4.02Å; F80-V182 PolarHBondContact O-N 3.49Å; E82-V182 HydrophobicContact CB-CG2 4.46Å; Q180-V182 PolarHBondContact O-N 2.89Å; V182-L186 HydrophobicContact CG1-CB 3.9Å; V182-W187 PolarHBondContact O-NE1 3.08Å; V182-F190 HydrophobicContact CG1-CD2 4.35Å; V182-F190 HydrophobicContact CG1-CE2 3.74Å
183P92.7Very high92.2Very high47 Ų4764.2 Ų64.231%0.30533%0.325SS..PPolyproline II helixtrans-61.5144.2177.6-23.834.2000112.8V181 R185 L186V181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-R185 HydrophobicContact CB-CG 4.1Å; P183-R185 PolarHBondContact O-N 3.47Å; P183-R185 VanDerWaalsContact O-N 3.09Å; P183-L186 PolarHBondContact O-N 3.4Å
184P91.6Very high92.1Very high43 Ų4368.7 Ų68.728%0.27935%0.354SS..G310 helixtrans-51.7-35.7-178.5-30.535.7000116I72 L186 W187I72-P184 HydrophobicContact CD1-CG 3.88Å; P184-L186 PolarHBondContact O-N 3.25Å; P184-W187 HydrophobicContact CB-CD2 4.18Å; P184-W187 HydrophobicContact CB-CE3 4.43Å; P184-W187 HydrophobicContact CB-CH2 4.47Å; P184-W187 HydrophobicContact CB-CZ2 4.22Å; P184-W187 HydrophobicContact CG-CH2 4.22Å; P184-W187 HydrophobicContact CG-CZ2 3.82Å; P184-W187 WeakPolarHBondContact O-CB 3.5Å; P184-W187 PolarHBondContact O-N 3.18Å
185R92Very high91.8Very high188 Ų18868.2 Ų68.271%0.70936%0.358SS*.G310 helixtrans-60.7-12.7176.564.2173.2176.1781115.3P183P183-R185 HydrophobicContact CB-CG 4.1Å; P183-R185 PolarHBondContact O-N 3.47Å; P183-R185 VanDerWaalsContact O-N 3.09Å
186L92.8Very high91.5Very high47 Ų4768.2 Ų68.225%0.24636%0.362CS..G310 helixtrans-107.1-0.2177.8-62.8-179.2000112.4V182 P183 P184 D188 E189 F190V182-L186 HydrophobicContact CG1-CB 3.9Å; P183-L186 PolarHBondContact O-N 3.4Å; P184-L186 PolarHBondContact O-N 3.25Å; L186-D188 VanDerWaalsContact C-N 3.28Å; L186-D188 PolarHBondContact O-N 2.78Å; L186-E189 WeakPolarHBondContact O-CB 3.43Å; L186-E189 PolarHBondContact O-N 2.89Å; L186-E189 VanDerWaalsContact O-N 3.15Å; L186-F190 WeakPolarHBondContact O-CD2 3.26Å; L186-F190 WeakPolarHBondContact O-CE2 3.33Å
187W92Very high91Very high29 Ų2972.6 Ų72.611%0.1139%0.388CS..G310 helixtrans-66-32-175.4-68.20.6000112.6Q76 E78 F80 V182 P184 E189 F190Q76-W187 HydrophobicContact CB-CH2 4.13Å; Q76-W187 HydrophobicContact CB-CZ3 4.2Å; Q76-W187 HydrophobicContact CG-CZ3 4.45Å; E78-W187 HydrophobicContact CB-CH2 4.25Å; E78-W187 HydrophobicContact CB-CZ3 4.02Å; E78-W187 WeakPolarHBondContact O-CH2 3.07Å; F80-W187 HydrophobicContact CD2-CB 4.41Å; F80-W187 AromaticContact CD2-CD1 3.59Å; F80-W187 AromaticContact CD2-CD2 3.6Å; F80-W187 HydrophobicContact CD2-CD2 3.6Å; F80-W187 AromaticContact CD2-CE2 3.55Å; F80-W187 HydrophobicContact CD2-CE3 4.28Å; F80-W187 AromaticContact CD2-CG 3.65Å; F80-W187 HydrophobicContact CD2-CG 3.65Å; F80-W187 HydrophobicContact CD2-CZ2 4.21Å; F80-W187 AromaticContact CD2-NE1 3.54Å; F80-W187 HydrophobicContact CE2-CB 4.13Å; F80-W187 AromaticContact CE2-CD2 3.72Å; F80-W187 HydrophobicContact CE2-CD2 3.72Å; F80-W187 HydrophobicContact CE2-CE3 4.06Å; F80-W187 AromaticContact CE2-CG 3.77Å; F80-W187 HydrophobicContact CE2-CG 3.77Å; F80-W187 AromaticContact CG-CD1 3.97Å; F80-W187 HydrophobicContact CG-CG 4.36Å; V182-W187 PolarHBondContact O-NE1 3.08Å; P184-W187 HydrophobicContact CB-CD2 4.18Å; P184-W187 HydrophobicContact CB-CE3 4.43Å; P184-W187 HydrophobicContact CB-CH2 4.47Å; P184-W187 HydrophobicContact CB-CZ2 4.22Å; P184-W187 HydrophobicContact CG-CH2 4.22Å; P184-W187 HydrophobicContact CG-CZ2 3.82Å; P184-W187 WeakPolarHBondContact O-CB 3.5Å; P184-W187 PolarHBondContact O-N 3.18Å; W187-E189 PolarHBondContact O-N 2.95Å; W187-E189 VanDerWaalsContact O-N 3.12Å; W187-F190 PolarHBondContact O-N 3.24Å
188D90.6Very high90.8Very high139 Ų13973.7 Ų73.774%0.74339%0.393SS*.G310 helixtrans-57.9-27.6175.2-61.6-24.9000112.4L186 F190L186-D188 VanDerWaalsContact C-N 3.28Å; L186-D188 PolarHBondContact O-N 2.78Å; D188-F190 PolarHBondContact O-N 3.31Å
189E88.8Confident90.4Very high99 Ų9975.3 Ų75.346%0.46339%0.393SS..G310 helixtrans-69.7-11.3175.2-62.8-170.8-163.300113.2K44 L186 W187K44-E189 WeakPolarHBondContact CD-O 3.02Å; K44-E189 WeakPolarHBondContact CE-O 3.23Å; K44-E189 PolarHBondContact NZ-O 3.4Å; L186-E189 WeakPolarHBondContact O-CB 3.43Å; L186-E189 PolarHBondContact O-N 2.89Å; L186-E189 VanDerWaalsContact O-N 3.15Å; W187-E189 PolarHBondContact O-N 2.95Å; W187-E189 VanDerWaalsContact O-N 3.12Å
190F90.6Very high90.2Very high24 Ų2475.2 Ų75.211%0.10539%0.393CS..G310 helixtrans-112.9-4.8-176.8-59.5-66.6000114.1I31 I42 K44 F80 V182 L186 W187 D188 E192I31-F190 HydrophobicContact CB-CD1 4.35Å; I31-F190 HydrophobicContact CB-CE1 4.41Å; I31-F190 HydrophobicContact CD1-CE1 4.26Å; I31-F190 HydrophobicContact CD1-CZ 4.22Å; I31-F190 HydrophobicContact CG1-CD1 3.89Å; I31-F190 HydrophobicContact CG1-CE1 3.48Å; I31-F190 VanDerWaalsContact CG1-CE1 3.48Å; I31-F190 HydrophobicContact CG1-CZ 3.91Å; I31-F190 HydrophobicContact CG2-CD1 4.39Å; I31-F190 HydrophobicContact CG2-CG 4.45Å; I42-F190 HydrophobicContact CD1-CB 4.03Å; I42-F190 HydrophobicContact CG2-CD1 4.27Å; K44-F190 HydrophobicContact CD-CD1 4.15Å; K44-F190 HydrophobicContact CD-CE1 4.46Å; F80-F190 HydrophobicContact CD1-CB 4.06Å; F80-F190 HydrophobicContact CD1-CD2 4.22Å; F80-F190 HydrophobicContact CD1-CG 4.28Å; F80-F190 HydrophobicContact CE1-CB 3.64Å; F80-F190 HydrophobicContact CE1-CG 4.35Å; V182-F190 HydrophobicContact CG1-CD2 4.35Å; V182-F190 HydrophobicContact CG1-CE2 3.74Å; L186-F190 WeakPolarHBondContact O-CD2 3.26Å; L186-F190 WeakPolarHBondContact O-CE2 3.33Å; W187-F190 PolarHBondContact O-N 3.24Å; D188-F190 PolarHBondContact O-N 3.31Å; F190-E192 PolarHBondContact O-N 3.35Å
191V88.1Confident90Very high93 Ų9369.7 Ų69.756%0.56437%0.367SS*.SBendtrans-58.1133.7174.1-1790000109.7K44 T193K44-V191 PolarHBondContact NZ-O 3.44Å; V191-T193 PolarHBondContact O-N 2.9Å
192E88.3Confident89.9Confident65 Ų6567.6 Ų67.630%0.30436%0.355SS..PPolyproline II helixtrans-69.1127.4175.2-172.4179.8172.800109.2W55 F190 K348W55-E192 HydrophobicContact CD2-CB 4.43Å; W55-E192 HydrophobicContact CD2-CG 3.96Å; W55-E192 HydrophobicContact CE3-CG 4.47Å; W55-E192 HydrophobicContact CG-CB 4.37Å; W55-E192 HydrophobicContact CG-CG 4.07Å; W55-E192 HydrophobicContact CZ2-CG 4.42Å; F190-E192 PolarHBondContact O-N 3.35Å; E192-K348 WeakPolarHBondContact OE1-CD 3.49Å; E192-K348 WeakPolarHBondContact OE1-CE 3.41Å; E192-K348 IonicContact OE1-NZ 2.73Å; E192-K348 PolarHBondContact OE1-NZ 2.86Å
193T84Confident89.7Confident85 Ų8570 Ų7052%0.52137%0.365SS..PPolyproline II helixtrans-75.8140.117754.60000110V191 K348V191-T193 PolarHBondContact O-N 2.9Å; T193-K348 PolarHBondContact O-NZ 2.91Å
194P87Confident89.6Confident116 Ų11668.8 Ų68.875%0.75335%0.354SS*.PPolyproline II helixtrans-51.7148.5171.6-25.334000111.7
195D87.2Confident89.3Confident72 Ų7267 Ų6739%0.38534%0.342SS..PPolyproline II helixtrans-66.2127.6177-77.2-36.6000110.4F198 Q337 K348D195-F198 HydrophobicContact CB-CE2 4Å; D195-F198 HydrophobicContact CB-CZ 4.32Å; D195-Q337 PolarHBondContact OD1-NE2 2.97Å; D195-Q337 PolarHBondContact OD1-OE1 3.02Å; D195-K348 WeakPolarHBondContact OD1-CE 3.38Å; D195-K348 IonicContact OD1-NZ 2.68Å; D195-K348 PolarHBondContact OD1-NZ 2.64Å; D195-K348 IonicContact OD2-NZ 3.61Å
196P86.2Confident88.9Confident47 Ų4762.4 Ų62.431%0.30534%0.337SS..PPolyproline II helixtrans-74165.4175.332.4-37.5000111.2F198 I331P196-F198 HydrophobicContact CG-CD1 4.33Å; P196-F198 HydrophobicContact CG-CE1 3.71Å; P196-F198 HydrophobicContact CG-CZ 3.9Å; P196-F198 VanDerWaalsContact O-CD2 3.28Å; P196-F198 WeakPolarHBondContact O-CD2 3.42Å; P196-F198 WeakPolarHBondContact O-CE2 3.28Å; P196-F198 PolarHBondContact O-N 3.06Å; P196-I331 HydrophobicContact CB-CD1 3.66Å; P196-I331 HydrophobicContact CG-CD1 3.42Å; P196-I331 VanDerWaalsContact CG-CD1 3.42Å
197D86.5Confident88.5Confident157 Ų15761.8 Ų61.884%0.8434%0.335SS*.  trans-68.7107172.9-62.4-34.7000110.4
198F90.3Very high88.1Confident28 Ų2869.1 Ų69.112%0.12337%0.368CS..  trans-79.6136.8179.1-58-71000111.2D195 P196 W258 N329 I331 L335 Q337D195-F198 HydrophobicContact CB-CE2 4Å; D195-F198 HydrophobicContact CB-CZ 4.32Å; P196-F198 HydrophobicContact CG-CD1 4.33Å; P196-F198 HydrophobicContact CG-CE1 3.71Å; P196-F198 HydrophobicContact CG-CZ 3.9Å; P196-F198 VanDerWaalsContact O-CD2 3.28Å; P196-F198 WeakPolarHBondContact O-CD2 3.42Å; P196-F198 WeakPolarHBondContact O-CE2 3.28Å; P196-F198 PolarHBondContact O-N 3.06Å; F198-W258 HydrophobicContact CD2-CZ2 4.23Å; F198-W258 HydrophobicContact CE2-CZ2 4.19Å; F198-N329 HydrophobicContact CB-CB 4.22Å; F198-N329 HydrophobicContact CD1-CB 3.42Å; F198-N329 VanDerWaalsContact CD1-CB 3.42Å; F198-N329 HydrophobicContact CD2-CB 3.83Å; F198-N329 HydrophobicContact CE1-CB 3.58Å; F198-N329 HydrophobicContact CE2-CB 3.98Å; F198-N329 HydrophobicContact CG-CB 3.55Å; F198-N329 HydrophobicContact CZ-CB 3.87Å; F198-I331 HydrophobicContact CD1-CD1 4.23Å; F198-I331 HydrophobicContact CD1-CG1 3.73Å; F198-I331 HydrophobicContact CE1-CD1 4.44Å; F198-I331 HydrophobicContact CE1-CG1 4.3Å; F198-L335 HydrophobicContact CE1-CD1 4.15Å; F198-Q337 HydrophobicContact CE1-CB 3.96Å; F198-Q337 HydrophobicContact CZ-CB 4.17Å; F198-Q337 HydrophobicContact CZ-CG 4.5Å; F198-Q337 VanDerWaalsContact CZ-OE1 3.29Å
199H88.8Confident87.9Confident116 Ų11666.4 Ų66.454%0.53736%0.357SS..SBendtrans-73.4-36.7175.8-63.8103.1000111.7V303 I330 I331 H332H199-V303 HydrophobicContact CB-CG1 4.27Å; H199-V303 HydrophobicContact CB-CG2 3.93Å; H199-I330 PolarHBondContact N-O 3.4Å; H199-I330 VanDerWaalsContact N-O 3.08Å; H199-I331 VanDerWaalsContact CE1-CG2 3.45Å; H199-I331 WeakPolarHBondContact CE1-CG2 3.29Å; H199-I331 WeakPolarHBondContact ND1-CA 3.16Å; H199-I331 WeakPolarHBondContact ND1-CG2 3.43Å; H199-H332 PolarHBondContact ND1-N 2.81Å; H199-H332 VanDerWaalsContact ND1-N 3.14Å
200V90.8Very high87.8Confident12 Ų1261.7 Ų61.77%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-141.7139.7177.9175.20000109I202 A228 V303 N329 I330V200-I202 HydrophobicContact CG1-CB 4.48Å; V200-A228 HydrophobicContact CG1-CB 3.78Å; V200-V303 HydrophobicContact CG2-CB 4.02Å; V200-V303 HydrophobicContact CG2-CG2 3.76Å; V200-N329 WeakPolarHBondContact O-CA 3.35Å; V200-I330 PolarHBondContact N-O 2.84Å; V200-I330 PolarHBondContact O-N 2.95Å
201S92.4Very high87.8Confident4 Ų463.6 Ų63.63%0.02834%0.341CS..EExtended strand (participates in β ladder)trans-130.9116.8170.4-63.80000109S255 R256 W258 C328 N329S201-S255 PolarHBondContact O-OG 2.94Å; S201-R256 PolarHBondContact O-N 3.17Å; S201-W258 PolarHBondContact OG-NE1 2.97Å; S201-C328 WeakPolarHBondContact CA-O 3.37Å; S201-N329 VanDerWaalsContact CB-OD1 3.27Å; S201-N329 WeakPolarHBondContact CB-OD1 3.38Å; S201-N329 PolarHBondContact OG-OD1 2.88Å
202I92Very high87.9Confident0 Ų061.8 Ų61.80%033%0.331CS..EExtended strand (participates in β ladder)trans-127.4140.4-172.5-168.2159.9000110.5V200 A228 L234 L253 C328V200-I202 HydrophobicContact CG1-CB 4.48Å; I202-A228 HydrophobicContact CD1-CB 4.37Å; I202-A228 HydrophobicContact CG2-CB 3.97Å; I202-L234 HydrophobicContact CD1-CB 4.05Å; I202-L234 HydrophobicContact CG2-CD1 4.17Å; I202-L253 HydrophobicContact CD1-CB 3.97Å; I202-L253 HydrophobicContact CD1-CD1 3.95Å; I202-L253 HydrophobicContact CG1-CB 3.91Å; I202-L253 HydrophobicContact CG1-CD1 4.13Å; I202-C328 HydrophobicContact CG2-CB 4.26Å; I202-C328 PolarHBondContact N-O 2.87Å; I202-C328 PolarHBondContact O-N 2.87Å
203F91.6Very high88Confident60 Ų6059.3 Ų59.326%0.26332%0.32SS..EExtended strand (participates in β ladder)trans-71.1132.9174.7-74-90.1000109.9K254 R256 C325 V327F203-K254 HydrophobicContact CB-CB 4.49Å; F203-K254 HydrophobicContact CD2-CB 3.61Å; F203-K254 VanDerWaalsContact CD2-O 3.31Å; F203-K254 WeakPolarHBondContact CD2-O 2.98Å; F203-K254 HydrophobicContact CE2-CB 4.17Å; F203-K254 HydrophobicContact CG-CB 4.33Å; F203-K254 PolarHBondContact N-O 2.96Å; F203-R256 HydrophobicContact CE2-CB 4.13Å; F203-C325 VanDerWaalsContact CE1-SG 3.55Å; F203-V327 HydrophobicContact CD1-CG2 4.04Å; F203-V327 HydrophobicContact CE1-CG2 4.01Å
204F88.8Confident88.4Confident21 Ų2155.3 Ų55.39%0.09230%0.295CS..PPolyproline II helixtrans-77.2139.1-172.3-144.4-112.2000111L210 L234 F236 L316 F326 C328 F338F204-L210 HydrophobicContact CD1-CD2 4.48Å; F204-L210 HydrophobicContact CE1-CD2 3.32Å; F204-L210 HydrophobicContact CZ-CD2 3.4Å; F204-L234 HydrophobicContact CD2-CD2 4.04Å; F204-L234 HydrophobicContact CE2-CD2 4.06Å; F204-F236 HydrophobicContact CE1-CZ 4.49Å; F204-F236 HydrophobicContact CE2-CE1 4.35Å; F204-F236 AromaticContact CE2-CZ 3.75Å; F204-F236 HydrophobicContact CE2-CZ 3.75Å; F204-F236 HydrophobicContact CZ-CE1 4.04Å; F204-F236 AromaticContact CZ-CZ 3.59Å; F204-F236 HydrophobicContact CZ-CZ 3.59Å; F204-L316 HydrophobicContact CE1-CD2 3.75Å; F204-L316 HydrophobicContact CZ-CD2 4.42Å; F204-F326 HydrophobicContact CB-CB 3.91Å; F204-F326 HydrophobicContact CB-CD1 4.04Å; F204-F326 HydrophobicContact CB-CD2 3.79Å; F204-F326 HydrophobicContact CB-CE2 4.29Å; F204-F326 HydrophobicContact CB-CG 3.63Å; F204-F326 WeakPolarHBondContact CB-O 3.18Å; F204-F326 AromaticContact CD1-CD1 3.81Å; F204-F326 HydrophobicContact CD1-CD1 3.81Å; F204-F326 HydrophobicContact CD1-CD2 4.42Å; F204-F326 AromaticContact CD1-CE1 3.6Å; F204-F326 HydrophobicContact CD1-CE1 3.6Å; F204-F326 HydrophobicContact CD1-CE2 4.22Å; F204-F326 HydrophobicContact CD1-CG 4.22Å; F204-F326 AromaticContact CD1-CZ 3.81Å; F204-F326 HydrophobicContact CD1-CZ 3.81Å; F204-F326 HydrophobicContact CD2-CE2 4.48Å; F204-F326 HydrophobicContact CE1-CE1 4.01Å; F204-F326 HydrophobicContact CE1-CZ 4.01Å; F204-F326 HydrophobicContact CG-CD1 4.21Å; F204-F326 HydrophobicContact CG-CD2 4.1Å; F204-F326 HydrophobicContact CG-CE1 4.23Å; F204-F326 HydrophobicContact CG-CE2 4.09Å; F204-F326 HydrophobicContact CG-CG 4.14Å; F204-F326 HydrophobicContact CG-CZ 4.16Å; F204-F326 PolarHBondContact N-O 3.18Å; F204-C328 HydrophobicContact CD2-CB 3.62Å; F204-C328 HydrophobicContact CE2-CB 3.94Å; F204-F338 HydrophobicContact CE2-CD1 4.27Å; F204-F338 AromaticContact CE2-CE1 3.78Å; F204-F338 HydrophobicContact CE2-CE1 3.78Å; F204-F338 HydrophobicContact CZ-CE1 4.12Å
205P86.6Confident88.6Confident4 Ų452.8 Ų52.83%0.02628%0.275CS..PPolyproline II helixtrans-64.8163.7173.528.1-34.9000110.9V207 L234 F250 L253P205-V207 PolarHBondContact O-N 2.71Å; P205-V207 VanDerWaalsContact O-N 3.14Å; P205-L234 HydrophobicContact CG-CD2 4.23Å; P205-F250 HydrophobicContact CB-CD1 3.62Å; P205-F250 HydrophobicContact CB-CD2 4.4Å; P205-F250 HydrophobicContact CB-CE1 3.65Å; P205-F250 HydrophobicContact CB-CE2 4.42Å; P205-F250 HydrophobicContact CB-CG 4.01Å; P205-F250 HydrophobicContact CB-CZ 4.06Å; P205-F250 HydrophobicContact CG-CD1 3.98Å; P205-F250 HydrophobicContact CG-CD2 3.83Å; P205-F250 HydrophobicContact CG-CE1 3.96Å; P205-F250 HydrophobicContact CG-CE2 3.81Å; P205-F250 HydrophobicContact CG-CG 3.91Å; P205-F250 HydrophobicContact CG-CZ 3.87Å; P205-L253 HydrophobicContact CB-CD2 4.32Å
206P83.4Confident88.8Confident93 Ų9356.3 Ų56.360%0.60428%0.283SS*.PPolyproline II helixtrans-53122.7178.3-26.534.6000112.3K208 T209P206-K208 PolarHBondContact O-N 2.87Å; P206-T209 PolarHBondContact O-N 3.48Å
207V84.8Confident89.1Confident34 Ų3454.9 Ų54.921%0.20627%0.272CS..Hα-helixtrans-55.1-29.5-177.6176.20000112.4P205 T209 L210 R211 L316 F326P205-V207 PolarHBondContact O-N 2.71Å; P205-V207 VanDerWaalsContact O-N 3.14Å; V207-T209 VanDerWaalsContact C-N 3.25Å; V207-T209 PolarHBondContact O-N 3.37Å; V207-L210 PolarHBondContact O-N 2.73Å; V207-R211 WeakPolarHBondContact O-CB 3.24Å; V207-R211 PolarHBondContact O-N 3.17Å; V207-L316 HydrophobicContact CG1-CB 4.05Å; V207-L316 HydrophobicContact CG1-CD2 3.9Å; V207-L316 HydrophobicContact CG2-CD2 4.21Å; V207-F326 HydrophobicContact CG2-CD1 3.7Å; V207-F326 HydrophobicContact CG2-CE1 3.61Å
208K83.8Confident89.2Confident183 Ų18350.9 Ų50.980%0.79625%0.248SC*.Hα-helixtrans-58.9-33.5176.7-64.3-178.2-179.6177.20113P206 P212P206-K208 PolarHBondContact O-N 2.87Å; K208-P212 WeakPolarHBondContact O-CD 3.46Å
209T85.6Confident89.1Confident82 Ų8258 Ų5850%0.50328%0.279SS..Hα-helixtrans-81.7-36.5179.3-51.30000111.5P206 V207 F250P206-T209 PolarHBondContact O-N 3.48Å; V207-T209 VanDerWaalsContact C-N 3.25Å; V207-T209 PolarHBondContact O-N 3.37Å; T209-F250 HydrophobicContact CG2-CE1 4.13Å; T209-F250 HydrophobicContact CG2-CZ 4.27Å
210L88Confident89.1Confident0 Ų057.9 Ų57.90%028%0.277CS..Hα-helixtrans-79.6-34.2-176.4-173.663.9000113.1F204 V207 F213 V214 F236 L248 F250 L316F204-L210 HydrophobicContact CD1-CD2 4.48Å; F204-L210 HydrophobicContact CE1-CD2 3.32Å; F204-L210 HydrophobicContact CZ-CD2 3.4Å; V207-L210 PolarHBondContact O-N 2.73Å; L210-F213 HydrophobicContact CD1-CD1 4.17Å; L210-F213 WeakPolarHBondContact O-CB 2.99Å; L210-F213 PolarHBondContact O-N 3.29Å; L210-V214 HydrophobicContact CD1-CG2 4.24Å; L210-V214 HydrophobicContact CG-CG2 4.05Å; L210-V214 PolarHBondContact O-N 2.95Å; L210-F236 HydrophobicContact CD1-CD1 4.03Å; L210-F236 HydrophobicContact CD1-CD2 3.72Å; L210-F236 HydrophobicContact CD1-CE1 4.02Å; L210-F236 HydrophobicContact CD1-CE2 3.71Å; L210-F236 HydrophobicContact CD1-CG 3.88Å; L210-F236 HydrophobicContact CD1-CZ 3.86Å; L210-F236 HydrophobicContact CD2-CD1 4.47Å; L210-F236 HydrophobicContact CD2-CE1 3.69Å; L210-F236 HydrophobicContact CD2-CE2 4.05Å; L210-F236 HydrophobicContact CD2-CZ 3.45Å; L210-F236 VanDerWaalsContact CD2-CZ 3.45Å; L210-F236 HydrophobicContact CG-CE1 4.5Å; L210-F236 HydrophobicContact CG-CZ 4.33Å; L210-L248 HydrophobicContact CD1-CD2 3.88Å; L210-F250 HydrophobicContact CD1-CE2 4.31Å; L210-L316 HydrophobicContact CB-CD1 4.37Å; L210-L316 HydrophobicContact CD2-CD1 3.54Å; L210-L316 HydrophobicContact CD2-CD2 4.12Å; L210-L316 HydrophobicContact CD2-CG 4.48Å; L210-L316 HydrophobicContact CG-CD1 3.73Å
211R89.3Confident89Confident63 Ų6358.2 Ų58.224%0.23828%0.28CS..Hα-helixtrans-56-51.5-176.8172.1-173.9-70.2-132.623.3113.2V207 F213 V214 D215 L316 S317V207-R211 WeakPolarHBondContact O-CB 3.24Å; V207-R211 PolarHBondContact O-N 3.17Å; R211-F213 PolarHBondContact O-N 2.94Å; R211-V214 PolarHBondContact O-N 3.24Å; R211-D215 WeakPolarHBondContact CG-OD2 3.28Å; R211-D215 WeakPolarHBondContact O-CB 3.38Å; R211-D215 PolarHBondContact O-N 2.78Å; R211-L316 PolarHBondContact NE-O 3.25Å; R211-L316 PolarHBondContact NH2-O 2.82Å; R211-S317 VanDerWaalsContact CZ-CA 3.43Å; R211-S317 PolarHBondContact NH1-O 2.9Å; R211-S317 PolarHBondContact NH2-O 2.8Å
212P89.9Confident88.9Confident55 Ų5565.8 Ų65.836%0.35731%0.313SS..Hα-helixtrans-59.7-33.4179.4-24.434.3000113.4K208 R216K208-P212 WeakPolarHBondContact O-CD 3.46Å; P212-R216 VanDerWaalsContact O-CG 3.3Å; P212-R216 WeakPolarHBondContact O-CG 2.96Å; P212-R216 PolarHBondContact O-N 2.8Å
213F91.6Very high88.9Confident14 Ų1468 Ų686%0.06132%0.323CS..Hα-helixtrans-64.8-54.2174.8173.6-98000110.7L210 R211 D215 R216 M217 I224 F236 V238 V246 L248L210-F213 HydrophobicContact CD1-CD1 4.17Å; L210-F213 WeakPolarHBondContact O-CB 2.99Å; L210-F213 PolarHBondContact O-N 3.29Å; R211-F213 PolarHBondContact O-N 2.94Å; F213-D215 VanDerWaalsContact C-N 3.33Å; F213-D215 PolarHBondContact O-N 2.9Å; F213-R216 PolarHBondContact O-N 3.44Å; F213-M217 HydrophobicContact CD1-CG 4.35Å; F213-M217 HydrophobicContact CD2-CG 4.18Å; F213-M217 HydrophobicContact CE1-CG 4Å; F213-M217 HydrophobicContact CE2-CG 3.83Å; F213-M217 HydrophobicContact CE2-SD 4.29Å; F213-M217 HydrophobicContact CG-CG 4.43Å; F213-M217 HydrophobicContact CZ-CG 3.74Å; F213-M217 HydrophobicContact CZ-SD 4.46Å; F213-M217 VanDerWaalsContact O-CG 3.3Å; F213-M217 WeakPolarHBondContact O-CG 3.41Å; F213-M217 PolarHBondContact O-N 3.13Å; F213-I224 HydrophobicContact CE1-CD1 4.25Å; F213-F236 HydrophobicContact CE1-CB 3.82Å; F213-F236 HydrophobicContact CZ-CB 4.46Å; F213-V238 HydrophobicContact CZ-CG2 4.41Å; F213-V246 HydrophobicContact CE2-CG1 3.84Å; F213-V246 HydrophobicContact CZ-CG1 4.45Å; F213-L248 HydrophobicContact CB-CD2 3.93Å; F213-L248 HydrophobicContact CD1-CB 4.45Å; F213-L248 HydrophobicContact CD1-CD2 3.93Å; F213-L248 HydrophobicContact CD2-CB 4.12Å; F213-L248 HydrophobicContact CD2-CD2 4.09Å; F213-L248 HydrophobicContact CE1-CB 4.23Å; F213-L248 HydrophobicContact CE1-CD2 4.49Å; F213-L248 HydrophobicContact CE2-CB 3.87Å; F213-L248 HydrophobicContact CG-CB 4.4Å; F213-L248 HydrophobicContact CG-CD2 3.7Å; F213-L248 HydrophobicContact CZ-CB 3.93Å
214V92.6Very high88.9Confident0 Ų065.1 Ų65.10%031%0.31CS..Hα-helixtrans-58.9-43.8179.6165.60000111.4L210 R211 R216 M217 K218 L309 I312 L316L210-V214 HydrophobicContact CD1-CG2 4.24Å; L210-V214 HydrophobicContact CG-CG2 4.05Å; L210-V214 PolarHBondContact O-N 2.95Å; R211-V214 PolarHBondContact O-N 3.24Å; V214-R216 PolarHBondContact O-N 2.86Å; V214-M217 PolarHBondContact O-N 3.49Å; V214-K218 VanDerWaalsContact O-CG 3.3Å; V214-K218 WeakPolarHBondContact O-CG 3.38Å; V214-K218 PolarHBondContact O-N 3.02Å; V214-L309 HydrophobicContact CB-CD1 4.46Å; V214-L309 HydrophobicContact CG1-CD1 3.88Å; V214-L309 HydrophobicContact CG2-CD1 4.37Å; V214-I312 HydrophobicContact CG1-CG2 4.43Å; V214-I312 HydrophobicContact CG2-CG2 4.13Å; V214-L316 HydrophobicContact CB-CD1 4.23Å; V214-L316 HydrophobicContact CG1-CD1 4.41Å; V214-L316 HydrophobicContact CG2-CD1 3.77Å
215D91.4Very high89.2Confident64 Ų6467.5 Ų67.534%0.34232%0.323SS..Hα-helixtrans-65.4-35-179.8-71.6-24.3000113.5R211 F213 K218R211-D215 WeakPolarHBondContact CG-OD2 3.28Å; R211-D215 WeakPolarHBondContact O-CB 3.38Å; R211-D215 PolarHBondContact O-N 2.78Å; F213-D215 VanDerWaalsContact C-N 3.33Å; F213-D215 PolarHBondContact O-N 2.9Å; D215-K218 IonicContact OD1-NZ 2.75Å; D215-K218 PolarHBondContact OD1-NZ 3.09Å
216R90.5Very high89.6Confident145 Ų14567.3 Ų67.355%0.54732%0.322SS..Hα-helixtrans-71.3-43.4172.8-72.5-172.3-59.8-107.64.1111.6P212 F213 V214 K218 K219 F220P212-R216 VanDerWaalsContact O-CG 3.3Å; P212-R216 WeakPolarHBondContact O-CG 2.96Å; P212-R216 PolarHBondContact O-N 2.8Å; F213-R216 PolarHBondContact O-N 3.44Å; V214-R216 PolarHBondContact O-N 2.86Å; R216-K218 VanDerWaalsContact C-N 3.32Å; R216-K218 PolarHBondContact O-N 2.82Å; R216-K219 PolarHBondContact O-N 3.38Å; R216-F220 VanDerWaalsContact O-CD2 3.3Å; R216-F220 WeakPolarHBondContact O-CD2 3.16Å; R216-F220 WeakPolarHBondContact O-CE2 2.93Å
217M91.9Very high90Very high17 Ų1763.5 Ų63.58%0.08430%0.297CS..Hα-helixtrans-69.4-27.1-176.1-67.9-57.399.400113.4F213 V214 K219 F220 A221 V238 V246 L309F213-M217 HydrophobicContact CD1-CG 4.35Å; F213-M217 HydrophobicContact CD2-CG 4.18Å; F213-M217 HydrophobicContact CE1-CG 4Å; F213-M217 HydrophobicContact CE2-CG 3.83Å; F213-M217 HydrophobicContact CE2-SD 4.29Å; F213-M217 HydrophobicContact CG-CG 4.43Å; F213-M217 HydrophobicContact CZ-CG 3.74Å; F213-M217 HydrophobicContact CZ-SD 4.46Å; F213-M217 VanDerWaalsContact O-CG 3.3Å; F213-M217 WeakPolarHBondContact O-CG 3.41Å; F213-M217 PolarHBondContact O-N 3.13Å; V214-M217 PolarHBondContact O-N 3.49Å; M217-K219 PolarHBondContact O-N 3.28Å; M217-F220 HydrophobicContact CE-CD2 3.99Å; M217-F220 HydrophobicContact CE-CE2 4.23Å; M217-F220 PolarHBondContact O-N 2.96Å; M217-A221 PolarHBondContact O-N 2.93Å; M217-A221 VanDerWaalsContact O-N 3.13Å; M217-V238 HydrophobicContact CB-CG1 4.4Å; M217-V238 HydrophobicContact CB-CG2 4.01Å; M217-V238 HydrophobicContact CG-CB 4.38Å; M217-V238 HydrophobicContact CG-CG2 4.03Å; M217-V238 HydrophobicContact SD-CB 4.25Å; M217-V238 HydrophobicContact SD-CG1 4.37Å; M217-V246 HydrophobicContact SD-CB 4.02Å; M217-V246 HydrophobicContact SD-CG1 4.1Å; M217-V246 HydrophobicContact SD-CG2 4.2Å; M217-L309 VanDerWaalsContact C-CD2 3.49Å; M217-L309 HydrophobicContact CB-CD2 3.95Å
218K89.3Confident90.4Very high74 Ų7461.9 Ų61.932%0.32229%0.288SS..THydrogen-bonded Turntrans-53.8-23.4174.3-80.4171-170.8162.30114.2V214 D215 R216 L309V214-K218 VanDerWaalsContact O-CG 3.3Å; V214-K218 WeakPolarHBondContact O-CG 3.38Å; V214-K218 PolarHBondContact O-N 3.02Å; D215-K218 IonicContact OD1-NZ 2.75Å; D215-K218 PolarHBondContact OD1-NZ 3.09Å; R216-K218 VanDerWaalsContact C-N 3.32Å; R216-K218 PolarHBondContact O-N 2.82Å; K218-L309 HydrophobicContact CB-CD2 4.44Å; K218-L309 HydrophobicContact CG-CD2 4.1Å; K218-L309 HydrophobicContact CG-CG 3.86Å
219K87.5Confident90.6Very high178 Ų17853.4 Ų53.477%0.77425%0.251SS*.THydrogen-bonded Turntrans-78.6-23.2178-61.7-176.4-179.7-176.90113.2R216 M217R216-K219 PolarHBondContact O-N 3.38Å; M217-K219 PolarHBondContact O-N 3.28Å
220F89.5Confident90.5Very high113 Ų11351.1 Ų51.150%0.49624%0.243SC..THydrogen-bonded Turntrans-109.9-25.2-168.9-59.5-71.3000113.4R216 M217 V240R216-F220 VanDerWaalsContact O-CD2 3.3Å; R216-F220 WeakPolarHBondContact O-CD2 3.16Å; R216-F220 WeakPolarHBondContact O-CE2 2.93Å; M217-F220 HydrophobicContact CE-CD2 3.99Å; M217-F220 HydrophobicContact CE-CE2 4.23Å; M217-F220 PolarHBondContact O-N 2.96Å; F220-V240 HydrophobicContact CB-CG1 4.05Å; F220-V240 HydrophobicContact CB-CG2 4.05Å; F220-V240 HydrophobicContact CD1-CG1 4.48Å
221A89.3Confident90.3Very high18 Ų1854.6 Ų54.615%0.14927%0.268CS..  trans-144.8155.7-179.600000111.9M217 V238 L309M217-A221 PolarHBondContact O-N 2.93Å; M217-A221 VanDerWaalsContact O-N 3.13Å; A221-V238 HydrophobicContact CB-CG1 3.26Å; A221-L309 WeakPolarHBondContact O-CD2 3.38Å
222K89.3Confident90.2Very high164 Ų16451.7 Ų51.771%0.71326%0.257SS*.SBendtrans-89.3-24.4172.9-65.4177.9-177.5170.80112.6L309K222-L309 WeakPolarHBondContact O-CB 3.44Å; K222-L309 PolarHBondContact O-N 2.84Å
223F91.4Very high90.3Very high46 Ų4650.9 Ų50.920%0.20225%0.249CC..EExtended strand (participates in β ladder)trans-122.5152.5-172.4-53.2-67.5000111.6F49 L307 T354 L356F49-F223 HydrophobicContact CD2-CE1 4.21Å; F49-F223 HydrophobicContact CD2-CZ 4.37Å; F49-F223 HydrophobicContact CE1-CZ 4.35Å; F49-F223 HydrophobicContact CE2-CE1 4.24Å; F49-F223 AromaticContact CE2-CZ 3.95Å; F49-F223 HydrophobicContact CE2-CZ 3.95Å; F49-F223 AromaticContact CZ-CZ 3.94Å; F49-F223 HydrophobicContact CZ-CZ 3.94Å; F223-L307 CarbonylContact C-O 3.55Å; F223-L307 VanDerWaalsContact CA-O 3.27Å; F223-L307 WeakPolarHBondContact CA-O 3.16Å; F223-T354 HydrophobicContact CD1-CG2 3.71Å; F223-T354 HydrophobicContact CE1-CG2 3.22Å; F223-T354 HydrophobicContact CZ-CG2 3.77Å; F223-L356 HydrophobicContact CD2-CD2 3.66Å; F223-L356 HydrophobicContact CE2-CD2 3.67Å; F223-L356 HydrophobicContact CG-CD2 4.44Å; F223-L356 HydrophobicContact CZ-CD2 4.47Å
224I93.4Very high90.4Very high0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-131.2135.4175.4-173.7165.6000109.5F213 F236 V238 S306 L307 L309 I312F213-I224 HydrophobicContact CE1-CD1 4.25Å; I224-F236 HydrophobicContact CD1-CB 4.11Å; I224-F236 HydrophobicContact CD1-CD1 3.86Å; I224-F236 HydrophobicContact CD1-CG 4.46Å; I224-V238 HydrophobicContact CB-CG2 4.21Å; I224-V238 HydrophobicContact CD1-CG2 4.12Å; I224-V238 HydrophobicContact CG1-CG2 3.85Å; I224-S306 WeakPolarHBondContact O-CA 3.44Å; I224-L307 HydrophobicContact CG2-CB 4.32Å; I224-L307 PolarHBondContact N-O 2.9Å; I224-L307 PolarHBondContact O-N 3.43Å; I224-L309 HydrophobicContact CB-CB 4.35Å; I224-L309 HydrophobicContact CB-CD1 3.86Å; I224-L309 HydrophobicContact CD1-CD1 3.77Å; I224-L309 HydrophobicContact CG1-CD1 4.41Å; I224-L309 HydrophobicContact CG2-CB 4.24Å; I224-L309 HydrophobicContact CG2-CD1 3.94Å; I224-I312 HydrophobicContact CG2-CG1 3.99Å
225I93.9Very high90.4Very high71 Ų7150.2 Ų50.236%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-94.5114174.4-58.3171.1000107F236 A237 I305I225-F236 WeakPolarHBondContact O-CA 3.5Å; I225-A237 HydrophobicContact CB-CB 4.26Å; I225-A237 PolarHBondContact N-O 2.62Å; I225-A237 PolarHBondContact O-N 3.03Å; I225-I305 CarbonylContact C-O 3.59Å; I225-I305 VanDerWaalsContact CA-O 3.31Å; I225-I305 WeakPolarHBondContact CA-O 3.42Å
226I94.7Very high90.6Very high0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-97.2126.5170.4-55.8-174.3000106.9L234 N235 F236 S304 I305 L307 I312 I330 F338I226-L234 HydrophobicContact CG2-CD1 3.74Å; I226-N235 CarbonylContact C-O 3.58Å; I226-N235 WeakPolarHBondContact CA-O 3.49Å; I226-F236 HydrophobicContact CD1-CD1 4.19Å; I226-F236 HydrophobicContact CD1-CE1 3.8Å; I226-F236 HydrophobicContact CG1-CD1 3.89Å; I226-F236 HydrophobicContact CG1-CE1 3.98Å; I226-F236 HydrophobicContact CG2-CE1 4.32Å; I226-S304 CarbonylContact O-C 3.56Å; I226-S304 WeakPolarHBondContact O-CA 3.42Å; I226-I305 HydrophobicContact CB-CG2 4.13Å; I226-I305 PolarHBondContact N-O 3.05Å; I226-I305 PolarHBondContact O-N 3.49Å; I226-L307 HydrophobicContact CD1-CD1 3.67Å; I226-L307 HydrophobicContact CG1-CD1 4.24Å; I226-I312 HydrophobicContact CD1-CD1 3.93Å; I226-I312 HydrophobicContact CD1-CG1 4.41Å; I226-I330 HydrophobicContact CG2-CD1 3.85Å; I226-F338 HydrophobicContact CD1-CZ 3.93Å
227S93.1Very high90.7Very high13 Ų1341 Ų419%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-132.2134.2172.668.20000111.8N235 V303S227-N235 PolarHBondContact N-O 2.79Å; S227-N235 PolarHBondContact O-N 2.86Å; S227-N235 VanDerWaalsContact OG-CB 3.31Å; S227-N235 WeakPolarHBondContact OG-CB 3.38Å; S227-V303 CarbonylContact C-O 3.48Å; S227-V303 WeakPolarHBondContact CA-O 3.43Å
228A93.3Very high90.8Very high0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-130.9152.2-179.900000110.9V200 I202 E233 L234 V303 I330V200-A228 HydrophobicContact CG1-CB 3.78Å; I202-A228 HydrophobicContact CD1-CB 4.37Å; I202-A228 HydrophobicContact CG2-CB 3.97Å; A228-E233 VanDerWaalsContact CA-O 3.27Å; A228-E233 WeakPolarHBondContact CA-O 3.36Å; A228-L234 HydrophobicContact CB-CD1 3.81Å; A228-V303 PolarHBondContact N-O 2.85Å; A228-V303 PolarHBondContact O-N 3.12Å; A228-I330 HydrophobicContact CB-CD1 3.9Å
229N87.9Confident90.7Very high4 Ų442 Ų422%0.02122%0.219CC..  trans-116.6168168.265.516.9000110.9S231 G232 E233 L302N229-S231 PolarHBondContact ND2-OG 3.39Å; N229-S231 PolarHBondContact O-N 2.83Å; N229-S231 PolarHBondContact OD1-N 2.87Å; N229-S231 PolarHBondContact OD1-OG 2.73Å; N229-S231 VanDerWaalsContact OD1-OG 3.05Å; N229-G232 PolarHBondContact OD1-N 2.84Å; N229-G232 VanDerWaalsContact OD1-N 3.16Å; N229-E233 PolarHBondContact N-O 3.22Å; N229-E233 VanDerWaalsContact ND2-CB 3.26Å; N229-E233 WeakPolarHBondContact ND2-CB 3.2Å; N229-E233 WeakPolarHBondContact OD1-CA 3.17Å; N229-E233 VanDerWaalsContact OD1-CB 3.26Å; N229-E233 WeakPolarHBondContact OD1-CB 3.39Å; N229-E233 PolarHBondContact OD1-N 3.18Å; N229-E233 PolarHBondContact OD1-O 2.82Å; N229-L302 HydrophobicContact CB-CD2 3.91Å
230G82.9Confident90.6Very high34 Ų3434.3 Ų34.335%0.35119%0.187SC..THydrogen-bonded Turntrans-71.5-9.9177.300000114.2S255 N299G230-S255 WeakPolarHBondContact O-CB 3.35Å; G230-S255 PolarHBondContact O-OG 2.68Å; G230-N299 PolarHBondContact N-O 2.89Å
231S84.4Confident90Very high74 Ų7438 Ų3852%0.51721%0.206SC..THydrogen-bonded Turntrans-96.94.2-17665.10000114.8N229N229-S231 PolarHBondContact ND2-OG 3.39Å; N229-S231 PolarHBondContact O-N 2.83Å; N229-S231 PolarHBondContact OD1-N 2.87Å; N229-S231 PolarHBondContact OD1-OG 2.73Å; N229-S231 VanDerWaalsContact OD1-OG 3.05Å
232G87.5Confident89.4Confident1 Ų142.3 Ų42.31%0.0123%0.23CC..SBendtrans97.919174.200000115.5N229 R251 G252 L253N229-G232 PolarHBondContact OD1-N 2.84Å; N229-G232 VanDerWaalsContact OD1-N 3.16Å; G232-R251 CarbonylContact O-C 3.6Å; G232-R251 WeakPolarHBondContact O-CA 3.45Å; G232-G252 PolarHBondContact O-N 3.23Å; G232-G252 VanDerWaalsContact O-N 3.16Å; G232-L253 WeakPolarHBondContact CA-O 3.12Å; G232-L253 WeakPolarHBondContact O-CB 3.41Å; G232-L253 PolarHBondContact O-N 3.1Å
233E91Very high88.7Confident38 Ų3842.6 Ų42.618%0.17824%0.239CC..  trans-95.9127.2169.1-163.6179.2149.900110.5A228 N229 N235 T249 F250 R251A228-E233 VanDerWaalsContact CA-O 3.27Å; A228-E233 WeakPolarHBondContact CA-O 3.36Å; N229-E233 PolarHBondContact N-O 3.22Å; N229-E233 VanDerWaalsContact ND2-CB 3.26Å; N229-E233 WeakPolarHBondContact ND2-CB 3.2Å; N229-E233 WeakPolarHBondContact OD1-CA 3.17Å; N229-E233 VanDerWaalsContact OD1-CB 3.26Å; N229-E233 WeakPolarHBondContact OD1-CB 3.39Å; N229-E233 PolarHBondContact OD1-N 3.18Å; N229-E233 PolarHBondContact OD1-O 2.82Å; E233-N235 PolarHBondContact OE1-ND2 3.17Å; E233-N235 PolarHBondContact OE1-OD1 2.98Å; E233-T249 HydrophobicContact CG-CG2 4.06Å; E233-F250 CarbonylContact C-O 3.55Å; E233-F250 VanDerWaalsContact CA-O 3.27Å; E233-F250 WeakPolarHBondContact CA-O 3.47Å; E233-R251 HydrophobicContact CG-CG 4.21Å
234L93.8Very high88.3Confident0 Ų042.4 Ų42.40%025%0.246CC..EExtended strand (participates in β ladder)trans-126.1127.6172.2-179.964.5000109.5I202 F204 P205 I226 A228 F236 F250 L253I202-L234 HydrophobicContact CD1-CB 4.05Å; I202-L234 HydrophobicContact CG2-CD1 4.17Å; F204-L234 HydrophobicContact CD2-CD2 4.04Å; F204-L234 HydrophobicContact CE2-CD2 4.06Å; P205-L234 HydrophobicContact CG-CD2 4.23Å; I226-L234 HydrophobicContact CG2-CD1 3.74Å; A228-L234 HydrophobicContact CB-CD1 3.81Å; L234-F236 HydrophobicContact CD2-CE2 3.59Å; L234-F236 HydrophobicContact CD2-CZ 3.7Å; L234-F236 HydrophobicContact CG-CD2 4.43Å; L234-F236 HydrophobicContact CG-CE2 3.7Å; L234-F236 HydrophobicContact CG-CZ 4.07Å; L234-F250 HydrophobicContact CB-CB 4.4Å; L234-F250 PolarHBondContact N-O 3.43Å; L234-F250 PolarHBondContact O-N 3.37Å; L234-L253 HydrophobicContact CB-CD1 3.46Å; L234-L253 VanDerWaalsContact CB-CD1 3.46Å; L234-L253 HydrophobicContact CD2-CD1 4.09Å; L234-L253 HydrophobicContact CG-CD1 4.44Å
235N93.6Very high88Confident0 Ų046.5 Ų46.50%027%0.274CS..EExtended strand (participates in β ladder)trans-122.7136.8-175.3-68.5-48.9000110.5I226 S227 E233 K247 L248 T249I226-N235 CarbonylContact C-O 3.58Å; I226-N235 WeakPolarHBondContact CA-O 3.49Å; S227-N235 PolarHBondContact N-O 2.79Å; S227-N235 PolarHBondContact O-N 2.86Å; S227-N235 VanDerWaalsContact OG-CB 3.31Å; S227-N235 WeakPolarHBondContact OG-CB 3.38Å; E233-N235 PolarHBondContact OE1-ND2 3.17Å; E233-N235 PolarHBondContact OE1-OD1 2.98Å; N235-K247 PolarHBondContact ND2-NZ 2.92Å; N235-K247 WeakPolarHBondContact OD1-CE 3.27Å; N235-L248 CarbonylContact C-O 3.59Å; N235-L248 WeakPolarHBondContact CA-O 3.21Å; N235-T249 WeakPolarHBondContact OD1-CA 3.47Å; N235-T249 WeakPolarHBondContact OD1-CB 2.73Å; N235-T249 WeakPolarHBondContact OD1-CG2 3.37Å; N235-T249 PolarHBondContact OD1-OG1 3.19Å
236F94.4Very high87.9Confident0 Ų045.6 Ų45.60%027%0.272CS..EExtended strand (participates in β ladder)trans-118111.2171.9-64.9-90.1000107.9F204 L210 F213 I224 I225 I226 L234 K247 L248 F250F204-F236 HydrophobicContact CE1-CZ 4.49Å; F204-F236 HydrophobicContact CE2-CE1 4.35Å; F204-F236 AromaticContact CE2-CZ 3.75Å; F204-F236 HydrophobicContact CE2-CZ 3.75Å; F204-F236 HydrophobicContact CZ-CE1 4.04Å; F204-F236 AromaticContact CZ-CZ 3.59Å; F204-F236 HydrophobicContact CZ-CZ 3.59Å; L210-F236 HydrophobicContact CD1-CD1 4.03Å; L210-F236 HydrophobicContact CD1-CD2 3.72Å; L210-F236 HydrophobicContact CD1-CE1 4.02Å; L210-F236 HydrophobicContact CD1-CE2 3.71Å; L210-F236 HydrophobicContact CD1-CG 3.88Å; L210-F236 HydrophobicContact CD1-CZ 3.86Å; L210-F236 HydrophobicContact CD2-CD1 4.47Å; L210-F236 HydrophobicContact CD2-CE1 3.69Å; L210-F236 HydrophobicContact CD2-CE2 4.05Å; L210-F236 HydrophobicContact CD2-CZ 3.45Å; L210-F236 VanDerWaalsContact CD2-CZ 3.45Å; L210-F236 HydrophobicContact CG-CE1 4.5Å; L210-F236 HydrophobicContact CG-CZ 4.33Å; F213-F236 HydrophobicContact CE1-CB 3.82Å; F213-F236 HydrophobicContact CZ-CB 4.46Å; I224-F236 HydrophobicContact CD1-CB 4.11Å; I224-F236 HydrophobicContact CD1-CD1 3.86Å; I224-F236 HydrophobicContact CD1-CG 4.46Å; I225-F236 WeakPolarHBondContact O-CA 3.5Å; I226-F236 HydrophobicContact CD1-CD1 4.19Å; I226-F236 HydrophobicContact CD1-CE1 3.8Å; I226-F236 HydrophobicContact CG1-CD1 3.89Å; I226-F236 HydrophobicContact CG1-CE1 3.98Å; I226-F236 HydrophobicContact CG2-CE1 4.32Å; L234-F236 HydrophobicContact CD2-CE2 3.59Å; L234-F236 HydrophobicContact CD2-CZ 3.7Å; L234-F236 HydrophobicContact CG-CD2 4.43Å; L234-F236 HydrophobicContact CG-CE2 3.7Å; L234-F236 HydrophobicContact CG-CZ 4.07Å; F236-K247 CarbonylContact O-C 3.58Å; F236-K247 WeakPolarHBondContact O-CA 3.34Å; F236-L248 HydrophobicContact CB-CB 4.31Å; F236-L248 PolarHBondContact N-O 3.13Å; F236-L248 PolarHBondContact O-N 3.48Å; F236-F250 HydrophobicContact CD2-CD2 4.04Å; F236-F250 AromaticContact CD2-CE2 3.81Å; F236-F250 HydrophobicContact CD2-CE2 3.81Å; F236-F250 AromaticContact CE2-CD2 3.88Å; F236-F250 HydrophobicContact CE2-CD2 3.88Å; F236-F250 AromaticContact CE2-CE2 3.73Å; F236-F250 HydrophobicContact CE2-CE2 3.73Å
237A93.2Very high87.8Confident17 Ų1751 Ų5114%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-115.7137.9-179.600000110.9I225 V246 K247I225-A237 HydrophobicContact CB-CB 4.26Å; I225-A237 PolarHBondContact N-O 2.62Å; I225-A237 PolarHBondContact O-N 3.03Å; A237-V246 CarbonylContact C-O 3.56Å; A237-V246 WeakPolarHBondContact CA-O 3.48Å; A237-K247 HydrophobicContact CB-CG 4.37Å
238V93Very high87.8Confident1 Ų152.5 Ų52.51%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-129.6120.7177176.90000107.8F213 M217 A221 I224 V246F213-V238 HydrophobicContact CZ-CG2 4.41Å; M217-V238 HydrophobicContact CB-CG1 4.4Å; M217-V238 HydrophobicContact CB-CG2 4.01Å; M217-V238 HydrophobicContact CG-CB 4.38Å; M217-V238 HydrophobicContact CG-CG2 4.03Å; M217-V238 HydrophobicContact SD-CB 4.25Å; M217-V238 HydrophobicContact SD-CG1 4.37Å; A221-V238 HydrophobicContact CB-CG1 3.26Å; I224-V238 HydrophobicContact CB-CG2 4.21Å; I224-V238 HydrophobicContact CD1-CG2 4.12Å; I224-V238 HydrophobicContact CG1-CG2 3.85Å; V238-V246 PolarHBondContact N-O 3.3Å; V238-V246 PolarHBondContact O-N 2.93Å
239N88.2Confident87.7Confident110 Ų11055.1 Ų55.159%0.58832%0.319SS*.EExtended strand (participates in β ladder)trans-89.6117.7175-1656.1000109
240V84.1Confident88Confident17 Ų1756.4 Ų56.410%0.10332%0.324CS..  trans-92.4143.9178.3-172.20000108.7F220 T242 L243 A244 V246F220-V240 HydrophobicContact CB-CG1 4.05Å; F220-V240 HydrophobicContact CB-CG2 4.05Å; F220-V240 HydrophobicContact CD1-CG1 4.48Å; V240-T242 HydrophobicContact CG1-CG2 4.38Å; V240-T242 PolarHBondContact O-N 3.28Å; V240-L243 PolarHBondContact O-N 2.93Å; V240-A244 VanDerWaalsContact CB-O 3.3Å; V240-A244 WeakPolarHBondContact CB-O 3.28Å; V240-A244 WeakPolarHBondContact CG2-O 3.36Å; V240-A244 PolarHBondContact N-O 3.21Å; V240-V246 HydrophobicContact CG2-CG2 4.37Å
241E77.4Confident88.4Confident189 Ų18964 Ų6488%0.88334%0.342SS*.THydrogen-bonded Turntrans-54.5-26.2179.7-64.8176.317800113.2L243E241-L243 PolarHBondContact O-N 3.41Å
242T76.4Confident88.5Confident109 Ų10964.1 Ų64.167%0.66936%0.355SS*.THydrogen-bonded Turntrans-75.524.9177.865.10000114V240 A244V240-T242 HydrophobicContact CG1-CG2 4.38Å; V240-T242 PolarHBondContact O-N 3.28Å; T242-A244 PolarHBondContact O-N 2.97Å; T242-A244 VanDerWaalsContact O-N 3.08Å
243L74.5Confident88.6Confident170 Ų17065.7 Ų65.789%0.8936%0.363SS*.SBendtrans58.614.8-175.8-57172.4000115V240 E241V240-L243 PolarHBondContact O-N 2.93Å; E241-L243 PolarHBondContact O-N 3.41Å
244A84.8Confident88.4Confident43 Ų4371.7 Ų71.736%0.35539%0.389SS..PPolyproline II helixtrans-99.1124.3178.700000109.9V240 T242V240-A244 VanDerWaalsContact CB-O 3.3Å; V240-A244 WeakPolarHBondContact CB-O 3.28Å; V240-A244 WeakPolarHBondContact CG2-O 3.36Å; V240-A244 PolarHBondContact N-O 3.21Å; T242-A244 PolarHBondContact O-N 2.97Å; T242-A244 VanDerWaalsContact O-N 3.08Å
245S85.8Confident87.8Confident85 Ų8574 Ų7459%0.59441%0.405SS*.EExtended strand (participates in β ladder)trans-101.2117.8172-175.80000109.7
246V92.3Very high86.6Confident53 Ų5379.4 Ų79.432%0.32143%0.425SS..EExtended strand (participates in β ladder)trans-98.2119.8176.7-172.80000108.3F213 M217 A237 V238 V240F213-V246 HydrophobicContact CE2-CG1 3.84Å; F213-V246 HydrophobicContact CZ-CG1 4.45Å; M217-V246 HydrophobicContact SD-CB 4.02Å; M217-V246 HydrophobicContact SD-CG1 4.1Å; M217-V246 HydrophobicContact SD-CG2 4.2Å; A237-V246 CarbonylContact C-O 3.56Å; A237-V246 WeakPolarHBondContact CA-O 3.48Å; V238-V246 PolarHBondContact N-O 3.3Å; V238-V246 PolarHBondContact O-N 2.93Å; V240-V246 HydrophobicContact CG2-CG2 4.37Å
247K91.8Very high85Confident112 Ų11283.4 Ų83.449%0.48745%0.453SS..EExtended strand (participates in β ladder)trans-119.4130179.9-172.4179.5179.1-174.10110.8N235 F236 A237N235-K247 PolarHBondContact ND2-NZ 2.92Å; N235-K247 WeakPolarHBondContact OD1-CE 3.27Å; F236-K247 CarbonylContact O-C 3.58Å; F236-K247 WeakPolarHBondContact O-CA 3.34Å; A237-K247 HydrophobicContact CB-CG 4.37Å
248L93.2Very high83Confident45 Ų4589 Ų8924%0.23647%0.47CS..EExtended strand (participates in β ladder)trans-110.1122.6170.1176.966.2000108.8L210 F213 N235 F236 F250L210-L248 HydrophobicContact CD1-CD2 3.88Å; F213-L248 HydrophobicContact CB-CD2 3.93Å; F213-L248 HydrophobicContact CD1-CB 4.45Å; F213-L248 HydrophobicContact CD1-CD2 3.93Å; F213-L248 HydrophobicContact CD2-CB 4.12Å; F213-L248 HydrophobicContact CD2-CD2 4.09Å; F213-L248 HydrophobicContact CE1-CB 4.23Å; F213-L248 HydrophobicContact CE1-CD2 4.49Å; F213-L248 HydrophobicContact CE2-CB 3.87Å; F213-L248 HydrophobicContact CG-CB 4.4Å; F213-L248 HydrophobicContact CG-CD2 3.7Å; F213-L248 HydrophobicContact CZ-CB 3.93Å; N235-L248 CarbonylContact C-O 3.59Å; N235-L248 WeakPolarHBondContact CA-O 3.21Å; F236-L248 HydrophobicContact CB-CB 4.31Å; F236-L248 PolarHBondContact N-O 3.13Å; F236-L248 PolarHBondContact O-N 3.48Å; L248-F250 HydrophobicContact CD1-CE2 4.5Å; L248-F250 HydrophobicContact CD1-CZ 4.48Å; L248-F250 HydrophobicContact CD2-CE2 3.57Å; L248-F250 HydrophobicContact CD2-CZ 3.74Å; L248-F250 HydrophobicContact CG-CD2 4.42Å; L248-F250 HydrophobicContact CG-CE2 3.7Å; L248-F250 HydrophobicContact CG-CZ 4.08Å
249T92.6Very high80.1Confident56 Ų5696.5 Ų96.534%0.34451%0.507SS..EExtended strand (participates in β ladder)trans-116.4128.8-175.7-64.60000110.7E233 N235 R251E233-T249 HydrophobicContact CG-CG2 4.06Å; N235-T249 WeakPolarHBondContact OD1-CA 3.47Å; N235-T249 WeakPolarHBondContact OD1-CB 2.73Å; N235-T249 WeakPolarHBondContact OD1-CG2 3.37Å; N235-T249 PolarHBondContact OD1-OG1 3.19Å; T249-R251 HydrophobicContact CG2-CG 3.99Å
250F93.2Very high77.4Confident31 Ų3197.6 Ų97.614%0.13651%0.513CS..EExtended strand (participates in β ladder)trans-109.9137.9168.7-63.1-87.3000108.8P205 T209 L210 E233 L234 F236 L248 L253P205-F250 HydrophobicContact CB-CD1 3.62Å; P205-F250 HydrophobicContact CB-CD2 4.4Å; P205-F250 HydrophobicContact CB-CE1 3.65Å; P205-F250 HydrophobicContact CB-CE2 4.42Å; P205-F250 HydrophobicContact CB-CG 4.01Å; P205-F250 HydrophobicContact CB-CZ 4.06Å; P205-F250 HydrophobicContact CG-CD1 3.98Å; P205-F250 HydrophobicContact CG-CD2 3.83Å; P205-F250 HydrophobicContact CG-CE1 3.96Å; P205-F250 HydrophobicContact CG-CE2 3.81Å; P205-F250 HydrophobicContact CG-CG 3.91Å; P205-F250 HydrophobicContact CG-CZ 3.87Å; T209-F250 HydrophobicContact CG2-CE1 4.13Å; T209-F250 HydrophobicContact CG2-CZ 4.27Å; L210-F250 HydrophobicContact CD1-CE2 4.31Å; E233-F250 CarbonylContact C-O 3.55Å; E233-F250 VanDerWaalsContact CA-O 3.27Å; E233-F250 WeakPolarHBondContact CA-O 3.47Å; L234-F250 HydrophobicContact CB-CB 4.4Å; L234-F250 PolarHBondContact N-O 3.43Å; L234-F250 PolarHBondContact O-N 3.37Å; F236-F250 HydrophobicContact CD2-CD2 4.04Å; F236-F250 AromaticContact CD2-CE2 3.81Å; F236-F250 HydrophobicContact CD2-CE2 3.81Å; F236-F250 AromaticContact CE2-CD2 3.88Å; F236-F250 HydrophobicContact CE2-CD2 3.88Å; F236-F250 AromaticContact CE2-CE2 3.73Å; F236-F250 HydrophobicContact CE2-CE2 3.73Å; L248-F250 HydrophobicContact CD1-CE2 4.5Å; L248-F250 HydrophobicContact CD1-CZ 4.48Å; L248-F250 HydrophobicContact CD2-CE2 3.57Å; L248-F250 HydrophobicContact CD2-CZ 3.74Å; L248-F250 HydrophobicContact CG-CD2 4.42Å; L248-F250 HydrophobicContact CG-CE2 3.7Å; L248-F250 HydrophobicContact CG-CZ 4.08Å; F250-L253 HydrophobicContact CB-CD1 3.8Å; F250-L253 HydrophobicContact CB-CG 4.23Å
251R91.3Very high74.9Confident193 Ų193102.9 Ų102.973%0.72855%0.545SS*.  trans-129.2158.1178.6-67.7179.6176.3178.1-1.1109.8G232 E233 T249 L253G232-R251 CarbonylContact O-C 3.6Å; G232-R251 WeakPolarHBondContact O-CA 3.45Å; E233-R251 HydrophobicContact CG-CG 4.21Å; T249-R251 HydrophobicContact CG2-CG 3.99Å; R251-L253 VanDerWaalsContact C-N 3.27Å; R251-L253 PolarHBondContact O-N 3.3Å
252G87.5Confident72.6Confident76 Ų76101.8 Ų101.878%0.78454%0.541SS*.SBendtrans72.321.3179.800000113.5G232G232-G252 PolarHBondContact O-N 3.23Å; G232-G252 VanDerWaalsContact O-N 3.16Å
253L88.6Confident70.4Confident34 Ų34101 Ų10118%0.17854%0.539CS..  trans-74.3147.6171.9-60.6175.1000109.7I202 P205 G232 L234 F250 R251I202-L253 HydrophobicContact CD1-CB 3.97Å; I202-L253 HydrophobicContact CD1-CD1 3.95Å; I202-L253 HydrophobicContact CG1-CB 3.91Å; I202-L253 HydrophobicContact CG1-CD1 4.13Å; P205-L253 HydrophobicContact CB-CD2 4.32Å; G232-L253 WeakPolarHBondContact CA-O 3.12Å; G232-L253 WeakPolarHBondContact O-CB 3.41Å; G232-L253 PolarHBondContact O-N 3.1Å; L234-L253 HydrophobicContact CB-CD1 3.46Å; L234-L253 VanDerWaalsContact CB-CD1 3.46Å; L234-L253 HydrophobicContact CD2-CD1 4.09Å; L234-L253 HydrophobicContact CG-CD1 4.44Å; F250-L253 HydrophobicContact CB-CD1 3.8Å; F250-L253 HydrophobicContact CB-CG 4.23Å; R251-L253 VanDerWaalsContact C-N 3.27Å; R251-L253 PolarHBondContact O-N 3.3Å
254K86.1Confident68.3Low165 Ų165101.9 Ų101.972%0.71754%0.536SS*.  trans-71.8139.2171.7-64.9-177.8-179.5-178.10108.7F203F203-K254 HydrophobicContact CB-CB 4.49Å; F203-K254 HydrophobicContact CD2-CB 3.61Å; F203-K254 VanDerWaalsContact CD2-O 3.31Å; F203-K254 WeakPolarHBondContact CD2-O 2.98Å; F203-K254 HydrophobicContact CE2-CB 4.17Å; F203-K254 HydrophobicContact CG-CB 4.33Å; F203-K254 PolarHBondContact N-O 2.96Å
255S81.6Confident65.6Low48 Ų48105.3 Ų105.334%0.33656%0.557SS.*BIsolated β-bridgetrans-104139.8170.5-175.70000108.8S201 G230S201-S255 PolarHBondContact O-OG 2.94Å; G230-S255 WeakPolarHBondContact O-CB 3.35Å; G230-S255 PolarHBondContact O-OG 2.68Å
256R69.6Low63.1Low114 Ų114106.5 Ų106.543%0.4356%0.562SS.*  trans-94.3110.2173.7179.8175.9-74.8-109.81.3107.6S201 F203 W258S201-R256 PolarHBondContact O-N 3.17Å; F203-R256 HydrophobicContact CE2-CB 4.13Å; R256-W258 PolarHBondContact O-N 3.42Å
257S59.8Low60.2Low83 Ų83112.1 Ų112.158%0.5858%0.584SS**  trans-72.7116.4164.8-176.70000108.1M259S257-M259 PolarHBondContact O-N 3.27Å; S257-M259 PolarHBondContact OG-N 3.23Å; S257-M259 VanDerWaalsContact OG-N 3.17Å; S257-M259 PolarHBondContact OG-O 2.58Å
258W50.8Low57.4Low135 Ų135113.9 Ų113.951%0.51160%0.598SS.*SBendtrans-73.6-10.2166.6-78.581.2000112F198 S201 R256 N260F198-W258 HydrophobicContact CD2-CZ2 4.23Å; F198-W258 HydrophobicContact CE2-CZ2 4.19Å; S201-W258 PolarHBondContact OG-NE1 2.97Å; R256-W258 PolarHBondContact O-N 3.42Å; W258-N260 PolarHBondContact O-N 3.04Å
259M33.6Very low54.6Low158 Ų158118.9 Ų118.978%0.77862%0.624SS**  trans-93.589.9170.6-64.1-175175.700108.4S257S257-M259 PolarHBondContact O-N 3.27Å; S257-M259 PolarHBondContact OG-N 3.23Å; S257-M259 VanDerWaalsContact OG-N 3.17Å; S257-M259 PolarHBondContact OG-O 2.58Å
260N30.8Very low51.6Low134 Ų134122.9 Ų122.972%0.71764%0.644SS**  trans176.960.8147.4-86-6.5000107.7W258W258-N260 PolarHBondContact O-N 3.04Å
261T30.9Very low48.8Very low127 Ų127127.1 Ų127.178%0.77968%0.677SS**SBendtrans-87.4129.1146.1-450000104.3
262E29.9Very low45.9Very low167 Ų167125.5 Ų125.578%0.7868%0.68SS**SBendtrans94.5120.3178.6-51.5179.2-174.900115.6
263S29.9Very low43.4Very low92 Ų92129.6 Ų129.664%0.64368%0.684SS**  trans89.663157-36.20000118.2
264F29.9Very low40.7Very low189 Ų189135.6 Ų135.683%0.82971%0.711SS**  trans-131.654.7141.6-86.9-78.9000110T266F264-T266 PolarHBondContact O-N 3.08Å
265S28.8Very low38Very low114 Ų114132.1 Ų132.180%0.79771%0.713SS**  trans-84.680.2142.255.10000106.4
266T32.7Very low35.6Very low111 Ų111141.6 Ų141.668%0.68174%0.741SS**  trans-117.2103.2160.7-40.20000105.5F264 I268F264-T266 PolarHBondContact O-N 3.08Å; T266-I268 PolarHBondContact O-N 2.94Å
267E32.7Very low33.5Very low170 Ų170141.2 Ų141.279%0.79476%0.756SS**  trans-47.7129.7176.9-67165.5168.100109.9N269E267-N269 PolarHBondContact O-N 2.87Å
268I31.9Very low32.1Very low150 Ų150143 Ų14377%0.76976%0.763SS**  trans-47.6117.5164.3-64159.2000107.8T266T266-I268 PolarHBondContact O-N 2.94Å
269N35.2Very low30.9Very low149 Ų149143.6 Ų143.680%0.79778%0.775SS**  trans-142.395.4155.8-89.1-31.2000108.7E267E267-N269 PolarHBondContact O-N 2.87Å
270D29.3Very low30.5Very low140 Ų140147.8 Ų147.875%0.74978%0.782SS**  trans6.9122.6147.1-70.9-30.7000117.9
271S34.2Very low30.4Very low121 Ų121149.2 Ų149.285%0.84679%0.79SS**  -179.1133.496.838.50000111
272M30.8Very low30.3Very low159 Ų159148.2 Ų148.278%0.78379%0.788SS**  trans-60.9131.7175.1-155161.590.500110
273D35.3Very low30.3Very low161 Ų161148 Ų14886%0.86179%0.793SS**  trans-158.5137.5136.5-112.2-16.8000113.2
274E30.7Very low30.3Very low160 Ų160151 Ų15175%0.74880%0.801SS**  trans-86.8150.8-154.1-72.6178.112500115.2
275A29.9Very low30.5Very low92 Ų92148.1 Ų148.176%0.7680%0.799SS**  trans41.5106.5134.500000119.3
276R30.6Very low30.6Very low248 Ų248150.1 Ų150.194%0.93680%0.801SS**  trans-132.494.3137.2-84.8-169.1162.4132.7-4.1111.4
277S26.3Very low30.7Very low106 Ų106151.9 Ų151.974%0.74181%0.805SS**  trans-68.2125.3157146.30000109.8
278T29.9Very low30.5Very low119 Ų119151.2 Ų151.273%0.7381%0.807SS**  trans-159.391.9157.41.80000106.8
279I26.1Very low30.4Very low148 Ų148148.3 Ų148.376%0.75980%0.8SS**  66.9114.9100.8-62.9170.6000112.4
280W25.2Very low29.9Very low246 Ų246146.5 Ų146.593%0.93280%0.799SS**  trans-46.1137.6169.7-71.9-44.3000113.1
281D28.9Very low29.9Very low165 Ų165148.2 Ų148.288%0.88280%0.8SS**  trans-136.6132.9144.6-99.1-31.8000110.9
282S27.2Very low29.6Very low105 Ų105151.6 Ų151.673%0.73480%0.802SS**  trans-68.6138-178.5-62.20000110.1
283N31.4Very low29.6Very low163 Ų163149.8 Ų149.887%0.87280%0.795SS**  trans-148.8109.8146.2-87.9-37000109.6V285N283-V285 PolarHBondContact O-N 2.77Å
284N28.3Very low29.8Very low154 Ų154148.8 Ų148.882%0.82479%0.789SS**  trans-51.8125.2160.2-84.4-31.1000109.4
285V34.6Very low30.1Very low130 Ų130147.5 Ų147.579%0.78879%0.788SS**  trans-132.8106.5151.8-178.30000106.3N283 L287N283-V285 PolarHBondContact O-N 2.77Å; V285-L287 PolarHBondContact O-N 3.29Å
286D30.4Very low31.1Very low155 Ų155150.3 Ų150.383%0.82979%0.785SS**  trans-55.1115.1165.4-68.7-53.6000108.7
287L35.3Very low32Very low148 Ų148142.2 Ų142.278%0.77576%0.76SS**  trans-131.993.1162.6-163.168.6000109V285 S289V285-L287 PolarHBondContact O-N 3.29Å; L287-S289 PolarHBondContact O-N 3.39Å; L287-S289 VanDerWaalsContact O-N 3.09Å
288D28.2Very low33.3Very low156 Ų156142.6 Ų142.683%0.83476%0.76SS**  trans-55.4106.8164.8-1554.1000108.5
289S30.8Very low34.7Very low89 Ų89142.6 Ų142.662%0.62276%0.756SS**  trans-149.780172.9-79.10000108L287 K291L287-S289 PolarHBondContact O-N 3.39Å; L287-S289 VanDerWaalsContact O-N 3.09Å; S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 2.89Å
290S25.4Very low36.5Very low111 Ų111141.4 Ų141.478%0.77675%0.745SS**  trans-46.488.1156.356.30000111.1
291K28Very low39Very low177 Ų177136.7 Ų136.777%0.7773%0.731SS**  trans-138.4106.9155.8-75.2-169.5179173.80107.4S289 I293S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 2.89Å; K291-I293 VanDerWaalsContact C-N 3.28Å; K291-I293 PolarHBondContact O-N 3.01Å
292Q28.4Very low41.6Very low191 Ų191132.2 Ų132.289%0.89371%0.707SS**  trans-45.394.3162.7-71.7168.7-31.600109.2
293I31.7Very low44.7Very low122 Ų122127.9 Ų127.963%0.62668%0.676SS**  trans-104.990.3161.4-60.1174.6000103.3K291 N295K291-I293 VanDerWaalsContact C-N 3.28Å; K291-I293 PolarHBondContact O-N 3.01Å; I293-N295 HydrophobicContact CG2-CB 4.08Å; I293-N295 WeakPolarHBondContact CG2-OD1 3.29Å; I293-N295 PolarHBondContact O-N 3.04Å
294N38Very low47.6Very low140 Ų140121.9 Ų121.975%0.74965%0.647SS**  trans-64.269161-74.4-14.1000107.6E296N294-E296 PolarHBondContact O-N 3Å
295N38.5Very low50.7Low133 Ų133114.7 Ų114.771%0.71161%0.608SS**  trans-73.965157.6-84.9-8.9000106I293 D297I293-N295 HydrophobicContact CG2-CB 4.08Å; I293-N295 WeakPolarHBondContact CG2-OD1 3.29Å; I293-N295 PolarHBondContact O-N 3.04Å; N295-D297 PolarHBondContact O-N 2.89Å
296E49.7Very low53.5Low151 Ų151109.5 Ų109.571%0.70658%0.578SS**  trans-65.398159.4-73.9-169.2162.900105N294 P298N294-E296 PolarHBondContact O-N 3Å; E296-P298 VanDerWaalsContact O-N 3.09Å
297D49.5Very low56.5Low78 Ų78102.1 Ų102.142%0.41754%0.539SS..  trans-44.5124.6170.1-67.7-51.6000107.1N295 N299 K300N295-D297 PolarHBondContact O-N 2.89Å; D297-N299 PolarHBondContact O-N 2.83Å; D297-K300 HydrophobicContact CB-CB 4.39Å; D297-K300 HydrophobicContact CB-CD 4.08Å; D297-K300 HydrophobicContact CB-CG 4.09Å; D297-K300 WeakPolarHBondContact O-CA 3.37Å; D297-K300 WeakPolarHBondContact O-CB 3.43Å; D297-K300 PolarHBondContact O-N 2.87Å; D297-K300 WeakPolarHBondContact OD2-CE 3.4Å; D297-K300 IonicContact OD2-NZ 2.74Å; D297-K300 PolarHBondContact OD2-NZ 3.32Å
298P54.6Low59.2Low114 Ų11496 Ų9674%0.7451%0.507SS*.G310 helixtrans-55.4-25.7-179.217.5-29.7000111.8E296 K300 K301E296-P298 VanDerWaalsContact O-N 3.09Å; P298-K300 VanDerWaalsContact C-N 3.27Å; P298-K300 PolarHBondContact O-N 3Å; P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å
299N58.9Low62.2Low119 Ų11988.7 Ų88.764%0.63647%0.467SS*.G310 helixtrans-69.4-15.2173.6-73.8-9.4000115.1G230 D297G230-N299 PolarHBondContact N-O 2.89Å; D297-N299 PolarHBondContact O-N 2.83Å
300K63Low65Low122 Ų12290.9 Ų90.953%0.5346%0.462SS..G310 helixtrans-91.9-8174.6-73.9175.5179.9149.30113.1D297 P298 L302D297-K300 HydrophobicContact CB-CB 4.39Å; D297-K300 HydrophobicContact CB-CD 4.08Å; D297-K300 HydrophobicContact CB-CG 4.09Å; D297-K300 WeakPolarHBondContact O-CA 3.37Å; D297-K300 WeakPolarHBondContact O-CB 3.43Å; D297-K300 PolarHBondContact O-N 2.87Å; D297-K300 WeakPolarHBondContact OD2-CE 3.4Å; D297-K300 IonicContact OD2-NZ 2.74Å; D297-K300 PolarHBondContact OD2-NZ 3.32Å; P298-K300 VanDerWaalsContact C-N 3.27Å; P298-K300 PolarHBondContact O-N 3Å; K300-L302 PolarHBondContact O-N 2.85Å
301K78.5Confident68.2Low148 Ų14885.9 Ų85.964%0.64343%0.426SS*.  trans-59.6112.3177.8-172.2175.1-178.9177.40109.5P298 V303P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å; K301-V303 PolarHBondContact O-N 2.89Å
302L83.5Confident71.2Confident70 Ų7077.5 Ų77.537%0.36639%0.39SS..  trans-75.7117.4178.3-77.4166.4000109.1N229 K300N229-L302 HydrophobicContact CB-CD2 3.91Å; K300-L302 PolarHBondContact O-N 2.85Å
303V91.3Very high74.2Confident14 Ų1468.5 Ų68.59%0.08535%0.348CS..EExtended strand (participates in β ladder)trans-87.2116.9170.3173.40000107.7H199 V200 S227 A228 K301 I330 H332H199-V303 HydrophobicContact CB-CG1 4.27Å; H199-V303 HydrophobicContact CB-CG2 3.93Å; V200-V303 HydrophobicContact CG2-CB 4.02Å; V200-V303 HydrophobicContact CG2-CG2 3.76Å; S227-V303 CarbonylContact C-O 3.48Å; S227-V303 WeakPolarHBondContact CA-O 3.43Å; A228-V303 PolarHBondContact N-O 2.85Å; A228-V303 PolarHBondContact O-N 3.12Å; K301-V303 PolarHBondContact O-N 2.89Å; V303-I330 HydrophobicContact CG1-CB 4.31Å; V303-I330 HydrophobicContact CG1-CG2 3.69Å; V303-H332 HydrophobicContact CG1-CB 3.64Å
304S92.5Very high77Confident38 Ų3864.9 Ų64.927%0.26633%0.329SS..EExtended strand (participates in β ladder)trans-107.6155.1178.959.20000112.9I226 H332 E333I226-S304 CarbonylContact O-C 3.56Å; I226-S304 WeakPolarHBondContact O-CA 3.42Å; S304-H332 PolarHBondContact N-ND1 2.84Å; S304-H332 PolarHBondContact O-ND1 2.86Å; S304-H332 PolarHBondContact OG-CE1 2.87Å; S304-E333 PolarHBondContact O-N 3.39Å
305I94.4Very high79.4Confident2 Ų258.4 Ų58.41%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-149138.9171.8-174.7165.4000110.7I225 I226 L307 I330 L335 A336 A353I225-I305 CarbonylContact C-O 3.59Å; I225-I305 VanDerWaalsContact CA-O 3.31Å; I225-I305 WeakPolarHBondContact CA-O 3.42Å; I226-I305 HydrophobicContact CB-CG2 4.13Å; I226-I305 PolarHBondContact N-O 3.05Å; I226-I305 PolarHBondContact O-N 3.49Å; I305-L307 HydrophobicContact CD1-CD2 3.67Å; I305-L307 HydrophobicContact CD1-CG 4.45Å; I305-L307 HydrophobicContact CG1-CD2 3.77Å; I305-L307 HydrophobicContact CG1-CG 4.14Å; I305-L307 HydrophobicContact CG2-CD1 4.24Å; I305-L307 HydrophobicContact CG2-CG 4.23Å; I305-I330 HydrophobicContact CB-CG2 4.09Å; I305-I330 HydrophobicContact CG2-CD1 4.49Å; I305-I330 HydrophobicContact CG2-CG2 3.72Å; I305-L335 WeakPolarHBondContact CD1-O 3.47Å; I305-A336 HydrophobicContact CD1-CB 4.15Å; I305-A336 HydrophobicContact CG2-CB 4.28Å; I305-A353 HydrophobicContact CD1-CB 3.86Å; I305-A353 HydrophobicContact CG1-CB 3.84Å
306S93.8Very high81.8Confident22 Ų2252.2 Ų52.215%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-93.8128.5171.8-174.80000110.5I224 A353 T354I224-S306 WeakPolarHBondContact O-CA 3.44Å; S306-A353 WeakPolarHBondContact O-CA 3.36Å; S306-T354 PolarHBondContact O-N 3.49Å
307L93.2Very high83.4Confident0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-132.3154.5-176.4-58.6175000111.5F223 I224 I226 I305 L309 I312 A336 F338 I351 P352F223-L307 CarbonylContact C-O 3.55Å; F223-L307 VanDerWaalsContact CA-O 3.27Å; F223-L307 WeakPolarHBondContact CA-O 3.16Å; I224-L307 HydrophobicContact CG2-CB 4.32Å; I224-L307 PolarHBondContact N-O 2.9Å; I224-L307 PolarHBondContact O-N 3.43Å; I226-L307 HydrophobicContact CD1-CD1 3.67Å; I226-L307 HydrophobicContact CG1-CD1 4.24Å; I305-L307 HydrophobicContact CD1-CD2 3.67Å; I305-L307 HydrophobicContact CD1-CG 4.45Å; I305-L307 HydrophobicContact CG1-CD2 3.77Å; I305-L307 HydrophobicContact CG1-CG 4.14Å; I305-L307 HydrophobicContact CG2-CD1 4.24Å; I305-L307 HydrophobicContact CG2-CG 4.23Å; L307-L309 PolarHBondContact O-N 2.77Å; L307-I312 HydrophobicContact CB-CG1 4.42Å; L307-I312 HydrophobicContact CD1-CD1 3.87Å; L307-I312 HydrophobicContact CD1-CG1 4.4Å; L307-A336 HydrophobicContact CD1-CB 3.65Å; L307-A336 HydrophobicContact CD2-CB 4.19Å; L307-F338 HydrophobicContact CD1-CE2 4.36Å; L307-F338 HydrophobicContact CD1-CZ 4.34Å; L307-I351 HydrophobicContact CD2-CB 4.05Å; L307-I351 HydrophobicContact CD2-CG2 3.83Å; L307-P352 WeakPolarHBondContact CD2-O 3.42Å
308D91.2Very high84.2Confident20 Ų2045.4 Ų45.411%0.10724%0.236CC..EExtended strand (participates in β ladder)trans-63.6115.6169.5179.5-6.3000109.9R310 R311 I312D308-R310 PolarHBondContact O-N 3.45Å; D308-R310 WeakPolarHBondContact OD1-CB 3.41Å; D308-R310 PolarHBondContact OD1-N 2.81Å; D308-R310 IonicContact OD2-CZ 3.66Å; D308-R310 IonicContact OD2-NE 3.44Å; D308-R310 PolarHBondContact OD2-NE 2.77Å; D308-R310 IonicContact OD2-NH2 2.98Å; D308-R310 PolarHBondContact OD2-NH2 2.92Å; D308-R311 HydrophobicContact CB-CB 4.43Å; D308-R311 HydrophobicContact CB-CG 3.83Å; D308-R311 WeakPolarHBondContact O-CB 3.44Å; D308-R311 PolarHBondContact O-N 2.87Å; D308-I312 PolarHBondContact O-N 2.86Å
309L91.6Very high84.5Confident1 Ų144.6 Ų44.61%0.00523%0.231CC..Hα-helixtrans-63.1-27.5-177.6-18059.7000112.2V214 M217 K218 A221 K222 I224 L307 R311 G313V214-L309 HydrophobicContact CB-CD1 4.46Å; V214-L309 HydrophobicContact CG1-CD1 3.88Å; V214-L309 HydrophobicContact CG2-CD1 4.37Å; M217-L309 VanDerWaalsContact C-CD2 3.49Å; M217-L309 HydrophobicContact CB-CD2 3.95Å; K218-L309 HydrophobicContact CB-CD2 4.44Å; K218-L309 HydrophobicContact CG-CD2 4.1Å; K218-L309 HydrophobicContact CG-CG 3.86Å; A221-L309 WeakPolarHBondContact O-CD2 3.38Å; K222-L309 WeakPolarHBondContact O-CB 3.44Å; K222-L309 PolarHBondContact O-N 2.84Å; I224-L309 HydrophobicContact CB-CB 4.35Å; I224-L309 HydrophobicContact CB-CD1 3.86Å; I224-L309 HydrophobicContact CD1-CD1 3.77Å; I224-L309 HydrophobicContact CG1-CD1 4.41Å; I224-L309 HydrophobicContact CG2-CB 4.24Å; I224-L309 HydrophobicContact CG2-CD1 3.94Å; L307-L309 PolarHBondContact O-N 2.77Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-G313 PolarHBondContact O-N 3.15Å
310R90.1Very high85Confident135 Ų13545.1 Ų45.151%0.50922%0.224SC..Hα-helixtrans-63.9-41173.8179-17653169.4-2.9111.1D308 G313 Q314D308-R310 PolarHBondContact O-N 3.45Å; D308-R310 WeakPolarHBondContact OD1-CB 3.41Å; D308-R310 PolarHBondContact OD1-N 2.81Å; D308-R310 IonicContact OD2-CZ 3.66Å; D308-R310 IonicContact OD2-NE 3.44Å; D308-R310 PolarHBondContact OD2-NE 2.77Å; D308-R310 IonicContact OD2-NH2 2.98Å; D308-R310 PolarHBondContact OD2-NH2 2.92Å; R310-G313 CarbonylContact O-C 3.55Å; R310-G313 WeakPolarHBondContact O-CA 3.37Å; R310-G313 PolarHBondContact O-N 3.38Å; R310-G313 VanDerWaalsContact O-N 3.16Å; R310-Q314 WeakPolarHBondContact O-CG 3.21Å; R310-Q314 PolarHBondContact O-N 2.94Å
311R91.1Very high85.5Confident6 Ų640.8 Ų40.82%0.02321%0.206CC..Hα-helixtrans-67.3-44.7-178.9-60-57-172.6179.43.3111.7E45 V52 D308 L309 G313 Q314 L315 I351E45-R311 VanDerWaalsContact CD-NH1 3.35Å; E45-R311 IonicContact OE1-CZ 3.48Å; E45-R311 IonicContact OE1-NH1 3.32Å; E45-R311 PolarHBondContact OE1-NH1 3.23Å; E45-R311 IonicContact OE1-NH2 2.75Å; E45-R311 PolarHBondContact OE1-NH2 3.44Å; E45-R311 IonicContact OE2-CZ 3.39Å; E45-R311 IonicContact OE2-NH1 2.74Å; E45-R311 PolarHBondContact OE2-NH1 3.12Å; E45-R311 IonicContact OE2-NH2 3.32Å; E45-R311 PolarHBondContact OE2-NH2 2.98Å; V52-R311 HydrophobicContact CG1-CB 4.33Å; V52-R311 HydrophobicContact CG1-CG 3.85Å; D308-R311 HydrophobicContact CB-CB 4.43Å; D308-R311 HydrophobicContact CB-CG 3.83Å; D308-R311 WeakPolarHBondContact O-CB 3.44Å; D308-R311 PolarHBondContact O-N 2.87Å; L309-R311 VanDerWaalsContact C-N 3.35Å; R311-G313 PolarHBondContact O-N 3.02Å; R311-Q314 VanDerWaalsContact CD-OE1 3.23Å; R311-Q314 VanDerWaalsContact NH1-OE1 3.14Å; R311-Q314 PolarHBondContact O-N 3.49Å; R311-Q314 VanDerWaalsContact O-N 3.12Å; R311-L315 PolarHBondContact O-N 3.08Å; R311-I351 HydrophobicContact CB-CD1 4.01Å
312I91.7Very high85.6Confident1 Ų139.5 Ų39.51%0.00521%0.21CC..Hα-helixtrans-58.1-42.5170.5-62.2-60.9000110.2V214 I224 I226 L307 D308 Q314 L315 L316 F338 I351V214-I312 HydrophobicContact CG1-CG2 4.43Å; V214-I312 HydrophobicContact CG2-CG2 4.13Å; I224-I312 HydrophobicContact CG2-CG1 3.99Å; I226-I312 HydrophobicContact CD1-CD1 3.93Å; I226-I312 HydrophobicContact CD1-CG1 4.41Å; L307-I312 HydrophobicContact CB-CG1 4.42Å; L307-I312 HydrophobicContact CD1-CD1 3.87Å; L307-I312 HydrophobicContact CD1-CG1 4.4Å; D308-I312 PolarHBondContact O-N 2.86Å; I312-Q314 PolarHBondContact O-N 3.49Å; I312-L315 PolarHBondContact O-N 2.91Å; I312-L316 HydrophobicContact CG2-CD1 3.81Å; I312-L316 HydrophobicContact CG2-CG 4.29Å; I312-L316 VanDerWaalsContact O-CG 3.28Å; I312-L316 WeakPolarHBondContact O-CG 3.41Å; I312-L316 PolarHBondContact O-N 2.81Å; I312-F338 HydrophobicContact CD1-CE1 4.39Å; I312-F338 HydrophobicContact CD1-CE2 3.63Å; I312-F338 HydrophobicContact CD1-CZ 3.43Å; I312-F338 VanDerWaalsContact CD1-CZ 3.43Å; I312-I351 HydrophobicContact CD1-CD1 3.59Å; I312-I351 HydrophobicContact CG1-CD1 4.37Å
313G91Very high85.7Confident2 Ų238.1 Ų38.12%0.02121%0.206CC..Hα-helixtrans-53.7-45.9172.300000115L309 R310 R311 S317L309-G313 PolarHBondContact O-N 3.15Å; R310-G313 CarbonylContact O-C 3.55Å; R310-G313 WeakPolarHBondContact O-CA 3.37Å; R310-G313 PolarHBondContact O-N 3.38Å; R310-G313 VanDerWaalsContact O-N 3.16Å; R311-G313 PolarHBondContact O-N 3.02Å; G313-S317 WeakPolarHBondContact O-CB 3.37Å; G313-S317 PolarHBondContact O-N 3.07Å; G313-S317 PolarHBondContact O-OG 3.12Å
314Q90.4Very high85.4Confident46 Ų4640.9 Ų40.922%0.21523%0.225CC..Hα-helixtrans-65.7-45.4179.1-71175.9-63.600111.3L26 R310 R311 I312 L316 S317L26-Q314 HydrophobicContact CD2-CB 4.35Å; L26-Q314 PolarHBondContact O-NE2 3.4Å; R310-Q314 WeakPolarHBondContact O-CG 3.21Å; R310-Q314 PolarHBondContact O-N 2.94Å; R311-Q314 VanDerWaalsContact CD-OE1 3.23Å; R311-Q314 VanDerWaalsContact NH1-OE1 3.14Å; R311-Q314 PolarHBondContact O-N 3.49Å; R311-Q314 VanDerWaalsContact O-N 3.12Å; I312-Q314 PolarHBondContact O-N 3.49Å; Q314-L316 PolarHBondContact O-N 3.09Å; Q314-S317 WeakPolarHBondContact O-CB 3.13Å; Q314-S317 PolarHBondContact O-N 3.12Å
315L90Very high85.3Confident5 Ų540.2 Ų40.23%0.02622%0.221CC..Hα-helixtrans-58.9-45.4177.2178.764.8000112.2L26 R311 I312 S317 S318 F326 F338 L347 Y349L26-L315 HydrophobicContact CD2-CB 4.47Å; R311-L315 PolarHBondContact O-N 3.08Å; I312-L315 PolarHBondContact O-N 2.91Å; L315-S317 PolarHBondContact O-N 2.94Å; L315-S318 PolarHBondContact O-OG 2.97Å; L315-F326 HydrophobicContact CD2-CZ 4.01Å; L315-F326 HydrophobicContact CG-CZ 4.36Å; L315-F338 HydrophobicContact CD2-CB 3.53Å; L315-F338 HydrophobicContact CD2-CD1 3.75Å; L315-F338 HydrophobicContact CD2-CD2 3.67Å; L315-F338 HydrophobicContact CD2-CE1 4.36Å; L315-F338 HydrophobicContact CD2-CE2 4.3Å; L315-F338 HydrophobicContact CD2-CG 3.34Å; L315-L347 HydrophobicContact CD1-CD2 4.14Å; L315-Y349 HydrophobicContact CB-CD1 4.33Å; L315-Y349 HydrophobicContact CB-CE1 4.3Å; L315-Y349 HydrophobicContact CD1-CD1 4.18Å; L315-Y349 HydrophobicContact CD1-CG 4.11Å; L315-Y349 HydrophobicContact CD2-CD1 4.04Å; L315-Y349 HydrophobicContact CG-CD1 4.42Å
316L88.7Confident85.1Confident3 Ų341 Ų412%0.01622%0.224CC..THydrogen-bonded Turntrans-75.8-7179.7-58.3176.5000112.8F204 V207 L210 R211 V214 I312 Q314 S318 F326F204-L316 HydrophobicContact CE1-CD2 3.75Å; F204-L316 HydrophobicContact CZ-CD2 4.42Å; V207-L316 HydrophobicContact CG1-CB 4.05Å; V207-L316 HydrophobicContact CG1-CD2 3.9Å; V207-L316 HydrophobicContact CG2-CD2 4.21Å; L210-L316 HydrophobicContact CB-CD1 4.37Å; L210-L316 HydrophobicContact CD2-CD1 3.54Å; L210-L316 HydrophobicContact CD2-CD2 4.12Å; L210-L316 HydrophobicContact CD2-CG 4.48Å; L210-L316 HydrophobicContact CG-CD1 3.73Å; R211-L316 PolarHBondContact NE-O 3.25Å; R211-L316 PolarHBondContact NH2-O 2.82Å; V214-L316 HydrophobicContact CB-CD1 4.23Å; V214-L316 HydrophobicContact CG1-CD1 4.41Å; V214-L316 HydrophobicContact CG2-CD1 3.77Å; I312-L316 HydrophobicContact CG2-CD1 3.81Å; I312-L316 HydrophobicContact CG2-CG 4.29Å; I312-L316 VanDerWaalsContact O-CG 3.28Å; I312-L316 WeakPolarHBondContact O-CG 3.41Å; I312-L316 PolarHBondContact O-N 2.81Å; Q314-L316 PolarHBondContact O-N 3.09Å; L316-S318 PolarHBondContact O-N 2.86Å; L316-F326 HydrophobicContact CD2-CE1 4.27Å
317S81.7Confident85.1Confident47 Ų4740.1 Ų40.133%0.32922%0.217SC..THydrogen-bonded Turntrans-78-9.1-175-73.10000115R211 G313 Q314 L315 P319R211-S317 VanDerWaalsContact CZ-CA 3.43Å; R211-S317 PolarHBondContact NH1-O 2.9Å; R211-S317 PolarHBondContact NH2-O 2.8Å; G313-S317 WeakPolarHBondContact O-CB 3.37Å; G313-S317 PolarHBondContact O-N 3.07Å; G313-S317 PolarHBondContact O-OG 3.12Å; Q314-S317 WeakPolarHBondContact O-CB 3.13Å; Q314-S317 PolarHBondContact O-N 3.12Å; L315-S317 PolarHBondContact O-N 2.94Å; S317-P319 WeakPolarHBondContact O-CD 3.44Å
318S67.3Low85.1Confident39 Ų3940.1 Ų40.127%0.27322%0.217SC..  trans-8699.4179.4550000113.2L315 L316L315-S318 PolarHBondContact O-OG 2.97Å; L316-S318 PolarHBondContact O-N 2.86Å
319P60.3Low85.2Confident96 Ų9639.2 Ų39.262%0.62321%0.213SC*.  trans-96.4-10.6-173.814.36.9000113.8S317S317-P319 WeakPolarHBondContact O-CD 3.44Å
320R70Confident85.4Confident131 Ų13139.1 Ų39.149%0.49421%0.212SC..SBendtrans-84.4-21.5-164.5-67.2-164.3-179.5-147.6-3.4114.6N18 Q21N18-R320 HydrophobicContact CB-CB 4.47Å; N18-R320 VanDerWaalsContact OD1-CD 3.29Å; N18-R320 WeakPolarHBondContact OD1-CD 3.33Å; Q21-R320 VanDerWaalsContact OE1-CZ 3.28Å
321I73.9Confident85.5Confident31 Ų3133.3 Ų33.316%0.15919%0.191CC..SBendtrans-118.5118.1179.5-41.4-179.3000106.7N18 I19 P323 F342N18-I321 HydrophobicContact CB-CD1 3.65Å; N18-I321 HydrophobicContact CB-CG1 3.64Å; I19-I321 HydrophobicContact CG1-CD1 4.03Å; I321-P323 WeakPolarHBondContact O-CD 3.26Å; I321-F342 HydrophobicContact CB-CD1 3.89Å; I321-F342 HydrophobicContact CB-CE1 3.66Å; I321-F342 HydrophobicContact CG2-CB 4.49Å; I321-F342 HydrophobicContact CG2-CD1 3.24Å; I321-F342 HydrophobicContact CG2-CE1 3.59Å; I321-F342 HydrophobicContact CG2-CG 4.11Å
322V80.1Confident85.4Confident120 Ų12036 Ų3673%0.72720%0.204SC*.  trans-74.5121.1172.2179.20000106.7
323P85Confident85.3Confident42 Ų4242.3 Ų42.327%0.27323%0.233SC..  trans-71.8136.6177.330.3-34.4000110.4I321 C325 F326 V340 L341 F342I321-P323 WeakPolarHBondContact O-CD 3.26Å; P323-C325 VanDerWaalsContact C-N 3.26Å; P323-F326 HydrophobicContact CG-CB 4.48Å; P323-V340 HydrophobicContact CB-CG1 3.42Å; P323-V340 VanDerWaalsContact CB-CG1 3.42Å; P323-V340 HydrophobicContact CG-CG1 4.22Å; P323-L341 CarbonylContact C-O 3.58Å; P323-F342 HydrophobicContact CB-CD1 4.12Å; P323-F342 HydrophobicContact CB-CE1 3.8Å; P323-F342 HydrophobicContact CB-CZ 4.36Å
324S86.6Confident85.3Confident71 Ų7149.3 Ų49.350%0.49726%0.263SS..SBendtrans-69.2-31.8173.1-36.50000110L341 D343S324-L341 PolarHBondContact N-O 3.02Å; S324-D343 PolarHBondContact OG-OD1 3.2Å
325C88.4Confident85.5Confident25 Ų2549 Ų4917%0.16926%0.263CS..EExtended strand (participates in β ladder)trans-149.7140.8174.9177.50000110.6F203 P323 L341F203-C325 VanDerWaalsContact CE1-SG 3.55Å; P323-C325 VanDerWaalsContact C-N 3.26Å; C325-L341 HydrophobicContact CB-CB 4.05Å; C325-L341 HydrophobicContact CB-CD1 4.07Å; C325-L341 HydrophobicContact CB-CG 4.3Å; C325-L341 PolarHBondContact N-O 3.36Å; C325-L341 PolarHBondContact O-N 2.86Å
326F92Very high85.7Confident19 Ų1948.7 Ų48.78%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-134.6116.4173.5-166.6165.9000108.5F204 V207 L315 L316 P323 F338 L339 V340F204-F326 HydrophobicContact CB-CB 3.91Å; F204-F326 HydrophobicContact CB-CD1 4.04Å; F204-F326 HydrophobicContact CB-CD2 3.79Å; F204-F326 HydrophobicContact CB-CE2 4.29Å; F204-F326 HydrophobicContact CB-CG 3.63Å; F204-F326 WeakPolarHBondContact CB-O 3.18Å; F204-F326 AromaticContact CD1-CD1 3.81Å; F204-F326 HydrophobicContact CD1-CD1 3.81Å; F204-F326 HydrophobicContact CD1-CD2 4.42Å; F204-F326 AromaticContact CD1-CE1 3.6Å; F204-F326 HydrophobicContact CD1-CE1 3.6Å; F204-F326 HydrophobicContact CD1-CE2 4.22Å; F204-F326 HydrophobicContact CD1-CG 4.22Å; F204-F326 AromaticContact CD1-CZ 3.81Å; F204-F326 HydrophobicContact CD1-CZ 3.81Å; F204-F326 HydrophobicContact CD2-CE2 4.48Å; F204-F326 HydrophobicContact CE1-CE1 4.01Å; F204-F326 HydrophobicContact CE1-CZ 4.01Å; F204-F326 HydrophobicContact CG-CD1 4.21Å; F204-F326 HydrophobicContact CG-CD2 4.1Å; F204-F326 HydrophobicContact CG-CE1 4.23Å; F204-F326 HydrophobicContact CG-CE2 4.09Å; F204-F326 HydrophobicContact CG-CG 4.14Å; F204-F326 HydrophobicContact CG-CZ 4.16Å; F204-F326 PolarHBondContact N-O 3.18Å; V207-F326 HydrophobicContact CG2-CD1 3.7Å; V207-F326 HydrophobicContact CG2-CE1 3.61Å; L315-F326 HydrophobicContact CD2-CZ 4.01Å; L315-F326 HydrophobicContact CG-CZ 4.36Å; L316-F326 HydrophobicContact CD2-CE1 4.27Å; P323-F326 HydrophobicContact CG-CB 4.48Å; F326-F338 HydrophobicContact CE2-CB 3.91Å; F326-F338 AromaticContact CE2-CD1 3.76Å; F326-F338 HydrophobicContact CE2-CD1 3.76Å; F326-F338 HydrophobicContact CE2-CG 4.28Å; F326-F338 HydrophobicContact CZ-CD1 4.12Å; F326-L339 WeakPolarHBondContact CA-O 3.43Å; F326-V340 HydrophobicContact CD1-CG2 4.4Å; F326-V340 HydrophobicContact CD2-CG2 3.81Å; F326-V340 HydrophobicContact CE1-CG2 4.31Å; F326-V340 HydrophobicContact CE2-CG2 3.73Å; F326-V340 HydrophobicContact CG-CG2 4.18Å; F326-V340 HydrophobicContact CZ-CG2 4Å
327V92.6Very high86Confident2 Ų248.8 Ų48.81%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-116.1139.6177.2-168.10000110.3F203 N329 F338 L339F203-V327 HydrophobicContact CD1-CG2 4.04Å; F203-V327 HydrophobicContact CE1-CG2 4.01Å; V327-N329 WeakPolarHBondContact CG1-OD1 3.45Å; V327-F338 WeakPolarHBondContact O-CA 3.33Å; V327-L339 HydrophobicContact CB-CB 4.48Å; V327-L339 PolarHBondContact N-O 3.49Å; V327-L339 PolarHBondContact O-N 3.41Å
328C93.7Very high86.6Confident0 Ų046.6 Ų46.60%025%0.246CC..EExtended strand (participates in β ladder)trans-110.9116.4168179.30000108.9S201 I202 F204 F338S201-C328 WeakPolarHBondContact CA-O 3.37Å; I202-C328 HydrophobicContact CG2-CB 4.26Å; I202-C328 PolarHBondContact N-O 2.87Å; I202-C328 PolarHBondContact O-N 2.87Å; F204-C328 HydrophobicContact CD2-CB 3.62Å; F204-C328 HydrophobicContact CE2-CB 3.94Å; C328-F338 HydrophobicContact CB-CD1 4.02Å; C328-F338 HydrophobicContact CB-CE1 4Å; C328-F338 WeakPolarHBondContact SG-CE1 3.28Å
329N94.2Very high87.9Confident1 Ų146.6 Ų46.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-102.3131.2175.6-52.2-32.1000108.3F198 V200 S201 V327 A336 Q337F198-N329 HydrophobicContact CB-CB 4.22Å; F198-N329 HydrophobicContact CD1-CB 3.42Å; F198-N329 VanDerWaalsContact CD1-CB 3.42Å; F198-N329 HydrophobicContact CD2-CB 3.83Å; F198-N329 HydrophobicContact CE1-CB 3.58Å; F198-N329 HydrophobicContact CE2-CB 3.98Å; F198-N329 HydrophobicContact CG-CB 3.55Å; F198-N329 HydrophobicContact CZ-CB 3.87Å; V200-N329 WeakPolarHBondContact O-CA 3.35Å; S201-N329 VanDerWaalsContact CB-OD1 3.27Å; S201-N329 WeakPolarHBondContact CB-OD1 3.38Å; S201-N329 PolarHBondContact OG-OD1 2.88Å; V327-N329 WeakPolarHBondContact CG1-OD1 3.45Å; N329-A336 CarbonylContact O-C 3.59Å; N329-A336 WeakPolarHBondContact O-CA 3.29Å; N329-Q337 HydrophobicContact CB-CB 4.29Å; N329-Q337 PolarHBondContact N-O 2.91Å; N329-Q337 PolarHBondContact ND2-OE1 3.09Å; N329-Q337 VanDerWaalsContact ND2-OE1 3.09Å; N329-Q337 PolarHBondContact O-N 2.89Å
330I94.1Very high89.4Confident0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-125.3131.6-175.6-53.6179.2000109.7H199 V200 I226 A228 V303 I305H199-I330 PolarHBondContact N-O 3.4Å; H199-I330 VanDerWaalsContact N-O 3.08Å; V200-I330 PolarHBondContact N-O 2.84Å; V200-I330 PolarHBondContact O-N 2.95Å; I226-I330 HydrophobicContact CG2-CD1 3.85Å; A228-I330 HydrophobicContact CB-CD1 3.9Å; V303-I330 HydrophobicContact CG1-CB 4.31Å; V303-I330 HydrophobicContact CG1-CG2 3.69Å; I305-I330 HydrophobicContact CB-CG2 4.09Å; I305-I330 HydrophobicContact CG2-CD1 4.49Å; I305-I330 HydrophobicContact CG2-CG2 3.72Å
331I92.9Very high90.4Very high12 Ų1239 Ų396%0.06221%0.206CC..EExtended strand (participates in β ladder)trans-106.8120162.7-48.6-177.2000107.6P196 F198 H199 E333 K334 L335P196-I331 HydrophobicContact CB-CD1 3.66Å; P196-I331 HydrophobicContact CG-CD1 3.42Å; P196-I331 VanDerWaalsContact CG-CD1 3.42Å; F198-I331 HydrophobicContact CD1-CD1 4.23Å; F198-I331 HydrophobicContact CD1-CG1 3.73Å; F198-I331 HydrophobicContact CE1-CD1 4.44Å; F198-I331 HydrophobicContact CE1-CG1 4.3Å; H199-I331 VanDerWaalsContact CE1-CG2 3.45Å; H199-I331 WeakPolarHBondContact CE1-CG2 3.29Å; H199-I331 WeakPolarHBondContact ND1-CA 3.16Å; H199-I331 WeakPolarHBondContact ND1-CG2 3.43Å; I331-E333 PolarHBondContact O-N 2.92Å; I331-K334 HydrophobicContact CB-CB 4.02Å; I331-K334 HydrophobicContact CG2-CB 3.77Å; I331-K334 HydrophobicContact CG2-CD 3.79Å; I331-K334 HydrophobicContact CG2-CG 4.22Å; I331-K334 PolarHBondContact O-N 2.87Å; I331-L335 HydrophobicContact CB-CG 4.35Å; I331-L335 HydrophobicContact CD1-CD1 3.81Å; I331-L335 HydrophobicContact CD1-CD2 4.04Å; I331-L335 HydrophobicContact CD1-CG 3.75Å; I331-L335 HydrophobicContact CG1-CD1 3.98Å; I331-L335 HydrophobicContact CG1-CG 4.11Å; I331-L335 PolarHBondContact N-O 2.68Å; I331-L335 PolarHBondContact O-N 2.88Å
332H89.6Confident91.2Very high64 Ų6438.3 Ų38.330%0.29620%0.202SC..THydrogen-bonded Turntrans-46.9123.9-177.5-166.241.4000111.6H199 V303 S304 K334H199-H332 PolarHBondContact ND1-N 2.81Å; H199-H332 VanDerWaalsContact ND1-N 3.14Å; V303-H332 HydrophobicContact CG1-CB 3.64Å; S304-H332 PolarHBondContact N-ND1 2.84Å; S304-H332 PolarHBondContact O-ND1 2.86Å; S304-H332 PolarHBondContact OG-CE1 2.87Å; H332-K334 PolarHBondContact O-N 2.97Å
333E89.9Confident91.5Very high133 Ų13339.2 Ų39.262%0.62120%0.203SC*.THydrogen-bonded Turntrans53.414.4177-58.3-173.9159.800116.1S304 I331 A353S304-E333 PolarHBondContact O-N 3.39Å; I331-E333 PolarHBondContact O-N 2.92Å; E333-A353 VanDerWaalsContact C-CB 3.49Å; E333-A353 VanDerWaalsContact O-CB 3.24Å; E333-A353 WeakPolarHBondContact O-CB 3.41Å
334K91Very high91.5Very high148 Ų14839.7 Ų39.764%0.64320%0.203SC*.THydrogen-bonded Turntrans-118.3-59.4-176.2-74.6-176.6178-179.40113.4I331 H332 A353I331-K334 HydrophobicContact CB-CB 4.02Å; I331-K334 HydrophobicContact CG2-CB 3.77Å; I331-K334 HydrophobicContact CG2-CD 3.79Å; I331-K334 HydrophobicContact CG2-CG 4.22Å; I331-K334 PolarHBondContact O-N 2.87Å; H332-K334 PolarHBondContact O-N 2.97Å; K334-A353 WeakPolarHBondContact O-CB 3.48Å; K334-A353 PolarHBondContact O-N 3.07Å
335L93.2Very high91.7Very high39 Ų3936.8 Ų36.820%0.20418%0.182CC..EExtended strand (participates in β ladder)trans-160.6156179.564.586.4000111.9F198 I305 I331 Q337 T350 I351F198-L335 HydrophobicContact CE1-CD1 4.15Å; I305-L335 WeakPolarHBondContact CD1-O 3.47Å; I331-L335 HydrophobicContact CB-CG 4.35Å; I331-L335 HydrophobicContact CD1-CD1 3.81Å; I331-L335 HydrophobicContact CD1-CD2 4.04Å; I331-L335 HydrophobicContact CD1-CG 3.75Å; I331-L335 HydrophobicContact CG1-CD1 3.98Å; I331-L335 HydrophobicContact CG1-CG 4.11Å; I331-L335 PolarHBondContact N-O 2.68Å; I331-L335 PolarHBondContact O-N 2.88Å; L335-Q337 HydrophobicContact CD1-CB 4.35Å; L335-T350 HydrophobicContact CB-CG2 4.46Å; L335-T350 HydrophobicContact CD1-CG2 4.19Å; L335-T350 HydrophobicContact CD2-CG2 4.44Å; L335-I351 CarbonylContact C-O 3.58Å; L335-I351 WeakPolarHBondContact CA-O 3.09Å
336A94.6Very high91.9Very high0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-116.4133.5166.900000108.5I305 L307 N329 F338 I351I305-A336 HydrophobicContact CD1-CB 4.15Å; I305-A336 HydrophobicContact CG2-CB 4.28Å; L307-A336 HydrophobicContact CD1-CB 3.65Å; L307-A336 HydrophobicContact CD2-CB 4.19Å; N329-A336 CarbonylContact O-C 3.59Å; N329-A336 WeakPolarHBondContact O-CA 3.29Å; A336-F338 HydrophobicContact CB-CE2 3.88Å; A336-F338 HydrophobicContact CB-CZ 4.22Å; A336-I351 PolarHBondContact N-O 3.07Å; A336-I351 PolarHBondContact O-N 3.37Å
337Q95Very high92Very high5 Ų538.9 Ų38.92%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-117.1129.4174.3-177.3-167.692.100109.1D195 F198 N329 L335 K348 Y349D195-Q337 PolarHBondContact OD1-NE2 2.97Å; D195-Q337 PolarHBondContact OD1-OE1 3.02Å; F198-Q337 HydrophobicContact CE1-CB 3.96Å; F198-Q337 HydrophobicContact CZ-CB 4.17Å; F198-Q337 HydrophobicContact CZ-CG 4.5Å; F198-Q337 VanDerWaalsContact CZ-OE1 3.29Å; N329-Q337 HydrophobicContact CB-CB 4.29Å; N329-Q337 PolarHBondContact N-O 2.91Å; N329-Q337 PolarHBondContact ND2-OE1 3.09Å; N329-Q337 VanDerWaalsContact ND2-OE1 3.09Å; N329-Q337 PolarHBondContact O-N 2.89Å; L335-Q337 HydrophobicContact CD1-CB 4.35Å; Q337-K348 HydrophobicContact CG-CG 4.04Å; Q337-Y349 CarbonylContact C-O 3.45Å; Q337-Y349 WeakPolarHBondContact CA-O 3.28Å
338F94.3Very high92.1Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-109113.5178.2-63.7-85.4000108.2F204 I226 L307 I312 L315 F326 V327 C328 A336 Y349 I351F204-F338 HydrophobicContact CE2-CD1 4.27Å; F204-F338 AromaticContact CE2-CE1 3.78Å; F204-F338 HydrophobicContact CE2-CE1 3.78Å; F204-F338 HydrophobicContact CZ-CE1 4.12Å; I226-F338 HydrophobicContact CD1-CZ 3.93Å; L307-F338 HydrophobicContact CD1-CE2 4.36Å; L307-F338 HydrophobicContact CD1-CZ 4.34Å; I312-F338 HydrophobicContact CD1-CE1 4.39Å; I312-F338 HydrophobicContact CD1-CE2 3.63Å; I312-F338 HydrophobicContact CD1-CZ 3.43Å; I312-F338 VanDerWaalsContact CD1-CZ 3.43Å; L315-F338 HydrophobicContact CD2-CB 3.53Å; L315-F338 HydrophobicContact CD2-CD1 3.75Å; L315-F338 HydrophobicContact CD2-CD2 3.67Å; L315-F338 HydrophobicContact CD2-CE1 4.36Å; L315-F338 HydrophobicContact CD2-CE2 4.3Å; L315-F338 HydrophobicContact CD2-CG 3.34Å; F326-F338 HydrophobicContact CE2-CB 3.91Å; F326-F338 AromaticContact CE2-CD1 3.76Å; F326-F338 HydrophobicContact CE2-CD1 3.76Å; F326-F338 HydrophobicContact CE2-CG 4.28Å; F326-F338 HydrophobicContact CZ-CD1 4.12Å; V327-F338 WeakPolarHBondContact O-CA 3.33Å; C328-F338 HydrophobicContact CB-CD1 4.02Å; C328-F338 HydrophobicContact CB-CE1 4Å; C328-F338 WeakPolarHBondContact SG-CE1 3.28Å; A336-F338 HydrophobicContact CB-CE2 3.88Å; A336-F338 HydrophobicContact CB-CZ 4.22Å; F338-Y349 HydrophobicContact CD2-CD1 4.31Å; F338-Y349 PolarHBondContact N-O 3.24Å; F338-Y349 PolarHBondContact O-N 3.42Å; F338-I351 HydrophobicContact CD2-CD1 4.17Å; F338-I351 HydrophobicContact CD2-CG1 4.42Å; F338-I351 HydrophobicContact CE2-CD1 3.69Å; F338-I351 HydrophobicContact CE2-CG1 4.23Å
339L93.8Very high92.2Very high40 Ų4039.3 Ų39.321%0.20919%0.19CC..EExtended strand (participates in β ladder)trans-102.4113.3175.9-178.565.6000108.7F326 V327 L341 K348F326-L339 WeakPolarHBondContact CA-O 3.43Å; V327-L339 HydrophobicContact CB-CB 4.48Å; V327-L339 PolarHBondContact N-O 3.49Å; V327-L339 PolarHBondContact O-N 3.41Å; L339-L341 HydrophobicContact CD1-CD2 3.9Å; L339-L341 HydrophobicContact CD2-CD2 4.23Å; L339-L341 HydrophobicContact CG-CD2 3.92Å; L339-L341 HydrophobicContact CG-CG 4.28Å; L339-K348 HydrophobicContact CD1-CB 4.34Å
340V92.5Very high92.2Very high7 Ų740 Ų404%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-112.2114178.1-165.50000107.9P323 F326 F342 L347P323-V340 HydrophobicContact CB-CG1 3.42Å; P323-V340 VanDerWaalsContact CB-CG1 3.42Å; P323-V340 HydrophobicContact CG-CG1 4.22Å; F326-V340 HydrophobicContact CD1-CG2 4.4Å; F326-V340 HydrophobicContact CD2-CG2 3.81Å; F326-V340 HydrophobicContact CE1-CG2 4.31Å; F326-V340 HydrophobicContact CE2-CG2 3.73Å; F326-V340 HydrophobicContact CG-CG2 4.18Å; F326-V340 HydrophobicContact CZ-CG2 4Å; V340-F342 HydrophobicContact CB-CE2 3.96Å; V340-F342 HydrophobicContact CB-CZ 4.23Å; V340-F342 HydrophobicContact CG1-CD2 4.3Å; V340-F342 HydrophobicContact CG1-CE1 4.01Å; V340-F342 HydrophobicContact CG1-CE2 3.49Å; V340-F342 VanDerWaalsContact CG1-CE2 3.49Å; V340-F342 HydrophobicContact CG1-CZ 3.34Å; V340-L347 HydrophobicContact CB-CB 4.27Å; V340-L347 HydrophobicContact CG2-CD2 4.49Å; V340-L347 PolarHBondContact N-O 3.39Å; V340-L347 PolarHBondContact O-N 2.78Å
341L91.9Very high92.2Very high59 Ų5940.2 Ų40.231%0.30920%0.196SC..EExtended strand (participates in β ladder)trans-101.8135.3177.6-52177.3000109.3P323 S324 C325 L339 K346P323-L341 CarbonylContact C-O 3.58Å; S324-L341 PolarHBondContact N-O 3.02Å; C325-L341 HydrophobicContact CB-CB 4.05Å; C325-L341 HydrophobicContact CB-CD1 4.07Å; C325-L341 HydrophobicContact CB-CG 4.3Å; C325-L341 PolarHBondContact N-O 3.36Å; C325-L341 PolarHBondContact O-N 2.86Å; L339-L341 HydrophobicContact CD1-CD2 3.9Å; L339-L341 HydrophobicContact CD2-CD2 4.23Å; L339-L341 HydrophobicContact CG-CD2 3.92Å; L339-L341 HydrophobicContact CG-CG 4.28Å; L341-K346 HydrophobicContact CD2-CB 3.64Å
342F89.8Confident92.1Very high17 Ų1741.3 Ų41.38%0.07520%0.203CC..  trans-124169.7172.1-51.7-89.8000108.1M22 I321 P323 V340 N344 H345 L347M22-F342 HydrophobicContact CE-CE2 3.96Å; M22-F342 HydrophobicContact CE-CZ 4.33Å; M22-F342 HydrophobicContact SD-CE2 3.8Å; M22-F342 HydrophobicContact SD-CZ 3.6Å; M22-F342 VanDerWaalsContact SD-CZ 3.6Å; I321-F342 HydrophobicContact CB-CD1 3.89Å; I321-F342 HydrophobicContact CB-CE1 3.66Å; I321-F342 HydrophobicContact CG2-CB 4.49Å; I321-F342 HydrophobicContact CG2-CD1 3.24Å; I321-F342 HydrophobicContact CG2-CE1 3.59Å; I321-F342 HydrophobicContact CG2-CG 4.11Å; P323-F342 HydrophobicContact CB-CD1 4.12Å; P323-F342 HydrophobicContact CB-CE1 3.8Å; P323-F342 HydrophobicContact CB-CZ 4.36Å; V340-F342 HydrophobicContact CB-CE2 3.96Å; V340-F342 HydrophobicContact CB-CZ 4.23Å; V340-F342 HydrophobicContact CG1-CD2 4.3Å; V340-F342 HydrophobicContact CG1-CE1 4.01Å; V340-F342 HydrophobicContact CG1-CE2 3.49Å; V340-F342 VanDerWaalsContact CG1-CE2 3.49Å; V340-F342 HydrophobicContact CG1-CZ 3.34Å; F342-N344 VanDerWaalsContact C-N 3.26Å; F342-N344 PolarHBondContact O-N 3.13Å; F342-H345 CarbonylContact C-O 3.55Å; F342-H345 WeakPolarHBondContact CA-O 3.47Å; F342-H345 WeakPolarHBondContact CB-CE1 3.31Å; F342-H345 WeakPolarHBondContact CB-O 3.38Å; F342-H345 AromaticContact CD1-CE1 4Å; F342-H345 AromaticContact CD1-NE2 3.9Å; F342-H345 AromaticContact CD2-CD2 3.23Å; F342-H345 WeakPolarHBondContact CD2-CD2 3.5Å; F342-H345 AromaticContact CD2-CE1 3.63Å; F342-H345 AromaticContact CD2-CG 3.93Å; F342-H345 AromaticContact CD2-NE2 3.02Å; F342-H345 WeakPolarHBondContact CD2-NE2 3.39Å; F342-H345 AromaticContact CE2-CD2 3.75Å; F342-H345 AromaticContact CE2-NE2 3.43Å; F342-H345 WeakPolarHBondContact CE2-NE2 3.45Å; F342-H345 AromaticContact CG-CD2 3.83Å; F342-H345 AromaticContact CG-CE1 3.38Å; F342-H345 WeakPolarHBondContact CG-CE1 3.07Å; F342-H345 AromaticContact CG-ND1 3.99Å; F342-H345 AromaticContact CG-NE2 3.26Å; F342-H345 VanDerWaalsContact CG-NE2 3.26Å; F342-H345 WeakPolarHBondContact CG-NE2 3.02Å; F342-H345 AromaticContact CZ-NE2 4Å; F342-H345 PolarHBondContact N-O 3.28Å; F342-H345 VanDerWaalsContact O-O 3.08Å; F342-L347 HydrophobicContact CE2-CB 4.33Å
343D86.5Confident92.3Very high139 Ų13939 Ų3974%0.74320%0.195SC*.SBendtrans-60.4-36.4-173.9-58.3-24.3000113S324S324-D343 PolarHBondContact OG-OD1 3.2Å
344N85.5Confident92.1Very high52 Ų5233 Ų3328%0.27817%0.168SC..SBendtrans-121.44.2-173.2-58.7-36000114.2N15 D59 F342N15-N344 PolarHBondContact ND2-ND2 2.83Å; D59-N344 PolarHBondContact N-O 2.77Å; F342-N344 VanDerWaalsContact C-N 3.26Å; F342-N344 PolarHBondContact O-N 3.13Å
345H90.1Very high91.1Very high10 Ų1032.3 Ų32.35%0.04617%0.171CC..EExtended strand (participates in β ladder)trans-157.8156.9179.261.5-73.4000110.9I19 D57 L58 F342I19-H345 HydrophobicContact CD1-CB 4.15Å; I19-H345 WeakPolarHBondContact CD1-ND1 3.37Å; I19-H345 VanDerWaalsContact CG1-CE1 3.5Å; I19-H345 WeakPolarHBondContact CG1-CE1 3.45Å; D57-H345 WeakPolarHBondContact O-CA 3.32Å; D57-H345 VanDerWaalsContact O-CB 3.27Å; D57-H345 WeakPolarHBondContact O-CB 3.39Å; L58-H345 HydrophobicContact CG-CB 4.28Å; F342-H345 CarbonylContact C-O 3.55Å; F342-H345 WeakPolarHBondContact CA-O 3.47Å; F342-H345 WeakPolarHBondContact CB-CE1 3.31Å; F342-H345 WeakPolarHBondContact CB-O 3.38Å; F342-H345 AromaticContact CD1-CE1 4Å; F342-H345 AromaticContact CD1-NE2 3.9Å; F342-H345 AromaticContact CD2-CD2 3.23Å; F342-H345 WeakPolarHBondContact CD2-CD2 3.5Å; F342-H345 AromaticContact CD2-CE1 3.63Å; F342-H345 AromaticContact CD2-CG 3.93Å; F342-H345 AromaticContact CD2-NE2 3.02Å; F342-H345 WeakPolarHBondContact CD2-NE2 3.39Å; F342-H345 AromaticContact CE2-CD2 3.75Å; F342-H345 AromaticContact CE2-NE2 3.43Å; F342-H345 WeakPolarHBondContact CE2-NE2 3.45Å; F342-H345 AromaticContact CG-CD2 3.83Å; F342-H345 AromaticContact CG-CE1 3.38Å; F342-H345 WeakPolarHBondContact CG-CE1 3.07Å; F342-H345 AromaticContact CG-ND1 3.99Å; F342-H345 AromaticContact CG-NE2 3.26Å; F342-H345 VanDerWaalsContact CG-NE2 3.26Å; F342-H345 WeakPolarHBondContact CG-NE2 3.02Å; F342-H345 AromaticContact CZ-NE2 4Å; F342-H345 PolarHBondContact N-O 3.28Å; F342-H345 VanDerWaalsContact O-O 3.08Å
346K92.9Very high89.4Confident87 Ų8739.2 Ų39.238%0.37821%0.207SC..EExtended strand (participates in β ladder)trans-123.4144.5172.159.5175-177.1161.90109.3C56 D57 L341C56-K346 CarbonylContact C-O 3.54Å; C56-K346 VanDerWaalsContact CA-O 3.24Å; C56-K346 WeakPolarHBondContact CA-O 3.13Å; D57-K346 HydrophobicContact CB-CG 4Å; D57-K346 PolarHBondContact N-O 2.83Å; D57-K346 PolarHBondContact O-N 2.95Å; D57-K346 WeakPolarHBondContact OD2-CE 3.11Å; D57-K346 IonicContact OD2-NZ 2.89Å; D57-K346 PolarHBondContact OD2-NZ 2.84Å; L341-K346 HydrophobicContact CD2-CB 3.64Å
347L94.2Very high89.1Confident2 Ų241.2 Ų41.21%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-120.8119.9172.1172.470.1000108.5M22 I23 L26 A54 W55 C56 L315 V340 F342M22-L347 HydrophobicContact CE-CB 4.17Å; M22-L347 HydrophobicContact CE-CD2 4.08Å; M22-L347 HydrophobicContact CG-CD2 4.46Å; M22-L347 HydrophobicContact SD-CD2 3.87Å; I23-L347 HydrophobicContact CD1-CD1 4.1Å; L26-L347 HydrophobicContact CD1-CD1 4.03Å; L26-L347 HydrophobicContact CD1-CD2 3.95Å; A54-L347 HydrophobicContact CB-CD1 4.33Å; W55-L347 WeakPolarHBondContact O-CA 3.27Å; C56-L347 HydrophobicContact CB-CD1 3.96Å; L315-L347 HydrophobicContact CD1-CD2 4.14Å; V340-L347 HydrophobicContact CB-CB 4.27Å; V340-L347 HydrophobicContact CG2-CD2 4.49Å; V340-L347 PolarHBondContact N-O 3.39Å; V340-L347 PolarHBondContact O-N 2.78Å; F342-L347 HydrophobicContact CE2-CB 4.33Å
348K94.9Very high88.8Confident10 Ų1043.1 Ų43.14%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-107.1113.8170.8-178.8-175.8-176.7171.20107.8A54 W55 E192 T193 D195 Q337 L339A54-K348 CarbonylContact C-O 3.57Å; A54-K348 WeakPolarHBondContact CA-O 3.46Å; W55-K348 HydrophobicContact CE3-CD 4.42Å; W55-K348 PolarHBondContact N-O 3Å; W55-K348 PolarHBondContact O-N 3.44Å; E192-K348 WeakPolarHBondContact OE1-CD 3.49Å; E192-K348 WeakPolarHBondContact OE1-CE 3.41Å; E192-K348 IonicContact OE1-NZ 2.73Å; E192-K348 PolarHBondContact OE1-NZ 2.86Å; T193-K348 PolarHBondContact O-NZ 2.91Å; D195-K348 WeakPolarHBondContact OD1-CE 3.38Å; D195-K348 IonicContact OD1-NZ 2.68Å; D195-K348 PolarHBondContact OD1-NZ 2.64Å; D195-K348 IonicContact OD2-NZ 3.61Å; Q337-K348 HydrophobicContact CG-CG 4.04Å; L339-K348 HydrophobicContact CD1-CB 4.34Å
349Y94.7Very high88.5Confident0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-119.7110.7-176.4-170.4-100000110.2L26 V52 A54 L315 Q337 F338 I351L26-Y349 HydrophobicContact CB-CE2 4.31Å; L26-Y349 HydrophobicContact CD1-CD2 4.03Å; L26-Y349 HydrophobicContact CD1-CE2 4.19Å; L26-Y349 HydrophobicContact CD2-CD2 4.35Å; L26-Y349 HydrophobicContact CD2-CE2 4.01Å; L26-Y349 HydrophobicContact CG-CE2 4.39Å; V52-Y349 HydrophobicContact CB-CE2 4.42Å; V52-Y349 HydrophobicContact CG2-CE2 4.46Å; A54-Y349 HydrophobicContact CB-CD2 3.52Å; A54-Y349 HydrophobicContact CB-CE2 4.13Å; A54-Y349 HydrophobicContact CB-CG 4.49Å; L315-Y349 HydrophobicContact CB-CD1 4.33Å; L315-Y349 HydrophobicContact CB-CE1 4.3Å; L315-Y349 HydrophobicContact CD1-CD1 4.18Å; L315-Y349 HydrophobicContact CD1-CG 4.11Å; L315-Y349 HydrophobicContact CD2-CD1 4.04Å; L315-Y349 HydrophobicContact CG-CD1 4.42Å; Q337-Y349 CarbonylContact C-O 3.45Å; Q337-Y349 WeakPolarHBondContact CA-O 3.28Å; F338-Y349 HydrophobicContact CD2-CD1 4.31Å; F338-Y349 PolarHBondContact N-O 3.24Å; F338-Y349 PolarHBondContact O-N 3.42Å; Y349-I351 HydrophobicContact CD1-CD1 3.92Å; Y349-I351 HydrophobicContact CD1-CG1 3.7Å; Y349-I351 HydrophobicContact CE1-CD1 3.51Å; Y349-I351 HydrophobicContact CE1-CG1 3.44Å; Y349-I351 VanDerWaalsContact CE1-CG1 3.44Å
350T94.4Very high88.2Confident17 Ų1745.8 Ų45.810%0.10424%0.243CC..EExtended strand (participates in β ladder)trans-107.2127.4-175.9-56.50000110.4T53 L335T53-T350 PolarHBondContact N-O 2.96Å; T53-T350 VanDerWaalsContact N-O 3.08Å; T53-T350 PolarHBondContact O-N 3.4Å; T53-T350 WeakPolarHBondContact OG1-CB 2.85Å; L335-T350 HydrophobicContact CB-CG2 4.46Å; L335-T350 HydrophobicContact CD1-CG2 4.19Å; L335-T350 HydrophobicContact CD2-CG2 4.44Å
351I94Very high87.9Confident4 Ų448.3 Ų48.32%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-121.5118.4177.4-44.3177.3000107.7V52 L307 R311 I312 L335 A336 F338 Y349V52-I351 HydrophobicContact CG1-CG1 4.31Å; V52-I351 HydrophobicContact CG1-CG2 4.2Å; L307-I351 HydrophobicContact CD2-CB 4.05Å; L307-I351 HydrophobicContact CD2-CG2 3.83Å; R311-I351 HydrophobicContact CB-CD1 4.01Å; I312-I351 HydrophobicContact CD1-CD1 3.59Å; I312-I351 HydrophobicContact CG1-CD1 4.37Å; L335-I351 CarbonylContact C-O 3.58Å; L335-I351 WeakPolarHBondContact CA-O 3.09Å; A336-I351 PolarHBondContact N-O 3.07Å; A336-I351 PolarHBondContact O-N 3.37Å; F338-I351 HydrophobicContact CD2-CD1 4.17Å; F338-I351 HydrophobicContact CD2-CG1 4.42Å; F338-I351 HydrophobicContact CE2-CD1 3.69Å; F338-I351 HydrophobicContact CE2-CG1 4.23Å; Y349-I351 HydrophobicContact CD1-CD1 3.92Å; Y349-I351 HydrophobicContact CD1-CG1 3.7Å; Y349-I351 HydrophobicContact CE1-CD1 3.51Å; Y349-I351 HydrophobicContact CE1-CG1 3.44Å; Y349-I351 VanDerWaalsContact CE1-CG1 3.44Å
352P92.4Very high87.7Confident34 Ų3447.5 Ų47.522%0.22125%0.252CS..EExtended strand (participates in β ladder)trans-68.6156.9172.529-30.2000111.2G50 G51 L307G50-P352 VanDerWaalsContact C-CG 3.48Å; G50-P352 WeakPolarHBondContact O-CG 3.48Å; G51-P352 WeakPolarHBondContact O-CD 3.4Å; G51-P352 VanDerWaalsContact O-CG 3.29Å; G51-P352 WeakPolarHBondContact O-CG 3.4Å; L307-P352 WeakPolarHBondContact CD2-O 3.42Å
353A92Very high87.5Confident15 Ų1549.7 Ų49.712%0.12426%0.264CS..  trans-61.9138.2173.300000110I305 S306 E333 K334 N355I305-A353 HydrophobicContact CD1-CB 3.86Å; I305-A353 HydrophobicContact CG1-CB 3.84Å; S306-A353 WeakPolarHBondContact O-CA 3.36Å; E333-A353 VanDerWaalsContact C-CB 3.49Å; E333-A353 VanDerWaalsContact O-CB 3.24Å; E333-A353 WeakPolarHBondContact O-CB 3.41Å; K334-A353 WeakPolarHBondContact O-CB 3.48Å; K334-A353 PolarHBondContact O-N 3.07Å; A353-N355 PolarHBondContact O-N 3.4Å
354T86.6Confident87.6Confident8 Ų842.8 Ų42.85%0.04923%0.227CC..  trans-83.1111.3168.2-54.10000108F49 F223 S306 L356F49-T354 HydrophobicContact CB-CG2 3.73Å; F49-T354 HydrophobicContact CD1-CG2 3.45Å; F49-T354 VanDerWaalsContact CD1-CG2 3.45Å; F49-T354 HydrophobicContact CD2-CG2 4.34Å; F49-T354 HydrophobicContact CE1-CG2 4.11Å; F49-T354 HydrophobicContact CG-CG2 3.58Å; F223-T354 HydrophobicContact CD1-CG2 3.71Å; F223-T354 HydrophobicContact CE1-CG2 3.22Å; F223-T354 HydrophobicContact CZ-CG2 3.77Å; S306-T354 PolarHBondContact O-N 3.49Å; T354-L356 PolarHBondContact O-N 3.26Å
355N69.4Low87.8Confident134 Ų13442.1 Ų42.172%0.71722%0.223SC*.  trans-70.1113.8165.3-66.2-17.5000107.2A353A353-N355 PolarHBondContact O-N 3.4Å
356L57.4Low87.5Confident184 Ų18445 Ų4596%0.96324%0.239SC*.  trans-720172.5-81.4164.4000111.2F223 T354F223-L356 HydrophobicContact CD2-CD2 3.66Å; F223-L356 HydrophobicContact CE2-CD2 3.67Å; F223-L356 HydrophobicContact CG-CD2 4.44Å; F223-L356 HydrophobicContact CZ-CD2 4.47Å; T354-L356 PolarHBondContact O-N 3.26Å

Retrieved 356 of 356 residues in 70.8 ms (Link to these results)

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