A0A077Z522_TRITR Loading...

FAD binding 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z522, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.9Confident96.9Very high144 Ų14434.4 Ų34.471%0.70917%0.172SC*.  0121.80-179.5174.66600107.4H145 T147M1-H145 PolarHBondContact SD-CE1 2.52Å; M1-T147 HydrophobicContact CE-CG2 3.35Å; M1-T147 HydrophobicContact CG-CG2 4.44Å; M1-T147 HydrophobicContact SD-CG2 3.63Å
2E96.2Very high96.7Very high95 Ų9532.5 Ų32.544%0.44417%0.168SC..EExtended strand (participates in β ladder)trans-78.8153.6-177.2-166.2166.4-162.300111.8F4 I146 T147E2-F4 HydrophobicContact CB-CE2 3.98Å; E2-F4 HydrophobicContact CB-CZ 4.48Å; E2-F4 VanDerWaalsContact CD-CZ 3.41Å; E2-F4 HydrophobicContact CG-CD2 4.42Å; E2-F4 HydrophobicContact CG-CE2 3.62Å; E2-F4 HydrophobicContact CG-CZ 3.74Å; E2-I146 HydrophobicContact CB-CG2 4.37Å; E2-T147 PolarHBondContact O-N 3.37Å; E2-T147 PolarHBondContact O-OG1 2.79Å
3H98.2Very high96.5Very high67 Ų6731.3 Ų31.331%0.3116%0.163SC..EExtended strand (participates in β ladder)trans-124.6136.5-179.6-173.268.2000111.1T147H3-T147 CarbonylContact C-O 3.57Å; H3-T147 WeakPolarHBondContact CA-O 3.41Å; H3-T147 PolarHBondContact ND1-OG1 2.98Å
4F98.6Very high96.3Very high5 Ų530.6 Ų30.62%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-124.5157.6178.8-63.4-90.9000111E2 Q27 I29 E116 I146 T147 A148 R149E2-F4 HydrophobicContact CB-CE2 3.98Å; E2-F4 HydrophobicContact CB-CZ 4.48Å; E2-F4 VanDerWaalsContact CD-CZ 3.41Å; E2-F4 HydrophobicContact CG-CD2 4.42Å; E2-F4 HydrophobicContact CG-CE2 3.62Å; E2-F4 HydrophobicContact CG-CZ 3.74Å; F4-Q27 HydrophobicContact CD1-CB 4.29Å; F4-I29 HydrophobicContact CB-CG2 4.04Å; F4-I29 HydrophobicContact CD1-CB 3.75Å; F4-I29 HydrophobicContact CD1-CG2 4.04Å; F4-I29 HydrophobicContact CD2-CB 4.03Å; F4-I29 HydrophobicContact CD2-CD1 4.5Å; F4-I29 HydrophobicContact CD2-CG2 3.67Å; F4-I29 HydrophobicContact CE1-CB 3.79Å; F4-I29 HydrophobicContact CE1-CG2 4.45Å; F4-I29 HydrophobicContact CE2-CB 4.06Å; F4-I29 HydrophobicContact CE2-CD1 3.91Å; F4-I29 HydrophobicContact CE2-CG2 4.11Å; F4-I29 HydrophobicContact CG-CB 3.88Å; F4-I29 HydrophobicContact CG-CG2 3.63Å; F4-I29 HydrophobicContact CZ-CB 3.94Å; F4-I29 HydrophobicContact CZ-CD1 4.01Å; F4-I29 HydrophobicContact CZ-CG1 4.4Å; F4-I29 HydrophobicContact CZ-CG2 4.48Å; F4-E116 HydrophobicContact CE1-CB 4.28Å; F4-E116 WeakPolarHBondContact CE1-OE2 3.44Å; F4-E116 VanDerWaalsContact CZ-OE2 3.3Å; F4-E116 WeakPolarHBondContact CZ-OE2 3.44Å; F4-I146 HydrophobicContact CD2-CB 4.25Å; F4-I146 HydrophobicContact CD2-CD1 4.29Å; F4-I146 HydrophobicContact CE2-CB 4.09Å; F4-I146 HydrophobicContact CE2-CG2 3.96Å; F4-T147 PolarHBondContact N-O 2.92Å; F4-A148 HydrophobicContact CB-CB 4.25Å; F4-A148 CarbonylContact O-C 3.49Å; F4-A148 WeakPolarHBondContact O-CA 3.3Å; F4-R149 PolarHBondContact O-N 3.34Å
5D98.1Very high96.4Very high44 Ų4428.6 Ų28.624%0.23515%0.154CC..EExtended strand (participates in β ladder)trans-69.7-42.8167.7-67.7-55.4000110.3M26 Q27 R149 Y150D5-M26 HydrophobicContact CB-CB 3.84Å; D5-M26 HydrophobicContact CB-CG 4Å; D5-M26 HydrophobicContact CB-SD 4.09Å; D5-M26 WeakPolarHBondContact OD2-CA 3.47Å; D5-Q27 WeakPolarHBondContact CB-O 3.41Å; D5-Q27 PolarHBondContact N-O 3.21Å; D5-Q27 PolarHBondContact OD2-N 3.01Å; D5-R149 WeakPolarHBondContact O-CB 3.29Å; D5-R149 PolarHBondContact O-N 3.07Å; D5-Y150 WeakPolarHBondContact O-CD2 3.35Å; D5-Y150 PolarHBondContact O-N 3.48Å
6V98.5Very high96.5Very high5 Ų526.8 Ų26.83%0.0314%0.144CC..EExtended strand (participates in β ladder)trans-138127.7-174.1-1700000111.7I8 L22 M26 Q27 V28 I29 Y150 V152V6-I8 HydrophobicContact CG1-CG1 3.94Å; V6-L22 HydrophobicContact CB-CD1 4.33Å; V6-L22 HydrophobicContact CG1-CD1 4.16Å; V6-L22 HydrophobicContact CG2-CD1 4.01Å; V6-M26 HydrophobicContact CG2-CE 4.2Å; V6-M26 HydrophobicContact CG2-SD 3.81Å; V6-Q27 PolarHBondContact N-O 2.85Å; V6-V28 HydrophobicContact CB-CG1 4.4Å; V6-V28 HydrophobicContact CB-CG2 4.29Å; V6-V28 WeakPolarHBondContact O-CA 3.48Å; V6-I29 PolarHBondContact O-N 3.37Å; V6-Y150 WeakPolarHBondContact CA-O 3.43Å; V6-Y150 HydrophobicContact CG2-CD2 4.18Å; V6-V152 HydrophobicContact CG1-CG2 3.92Å
7A98.5Very high96.5Very high2 Ų226.1 Ų26.12%0.01714%0.143CC..EExtended strand (participates in β ladder)trans-103.8122.9165.900000110.7I29 V135 I146 A148 Y150 L151 V152A7-I29 CarbonylContact C-O 3.55Å; A7-I29 WeakPolarHBondContact CA-O 3.4Å; A7-I29 HydrophobicContact CB-CG2 3.79Å; A7-V135 HydrophobicContact CB-CG2 4.19Å; A7-I146 HydrophobicContact CB-CD1 4.25Å; A7-A148 HydrophobicContact CB-CB 3.66Å; A7-Y150 PolarHBondContact N-O 3.1Å; A7-L151 HydrophobicContact CB-CD1 4.04Å; A7-L151 WeakPolarHBondContact O-CA 3.32Å; A7-V152 PolarHBondContact O-N 3.16Å
8I98.5Very high96.5Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-109.1119.3178.9-54.9175.2000109.5V6 L18 A19 V28 I29 A30 L31 V152 A154V6-I8 HydrophobicContact CG1-CG1 3.94Å; I8-L18 HydrophobicContact CD1-CB 4.37Å; I8-L18 HydrophobicContact CD1-CD2 4.02Å; I8-L18 HydrophobicContact CD1-CG 4.05Å; I8-L18 HydrophobicContact CG1-CD2 4.4Å; I8-A19 HydrophobicContact CD1-CB 3.91Å; I8-V28 HydrophobicContact CD1-CG1 3.76Å; I8-V28 HydrophobicContact CG1-CG1 4.17Å; I8-I29 PolarHBondContact N-O 3.18Å; I8-A30 HydrophobicContact CB-CB 4.08Å; I8-A30 CarbonylContact O-C 3.54Å; I8-A30 WeakPolarHBondContact O-CA 3.26Å; I8-L31 PolarHBondContact O-N 2.88Å; I8-V152 HydrophobicContact CG1-CB 4.24Å; I8-V152 HydrophobicContact CG1-CG2 4.47Å; I8-V152 HydrophobicContact CG2-CB 4.46Å; I8-A154 HydrophobicContact CG2-CB 4.38Å
9I97.9Very high96.6Very high8 Ų824.2 Ų24.24%0.04113%0.132CC..EExtended strand (participates in β ladder)trans-100.6107178.1-44.4-58000108.8L31 C123 V135 L151 V152 A154 D155 V161I9-L31 HydrophobicContact CD1-CD1 3.8Å; I9-L31 HydrophobicContact CD1-CG 4.26Å; I9-C123 HydrophobicContact CD1-CB 4.1Å; I9-C123 HydrophobicContact CG2-CB 3.66Å; I9-V135 HydrophobicContact CD1-CG1 4.1Å; I9-L151 HydrophobicContact CD1-CD1 4.15Å; I9-L151 HydrophobicContact CG1-CD1 3.81Å; I9-V152 PolarHBondContact N-O 3.27Å; I9-A154 CarbonylContact O-C 3.56Å; I9-A154 VanDerWaalsContact O-CA 3.26Å; I9-A154 WeakPolarHBondContact O-CA 3.43Å; I9-A154 PolarHBondContact O-N 3.43Å; I9-D155 HydrophobicContact CG2-CB 4.1Å; I9-D155 WeakPolarHBondContact O-CB 3.45Å; I9-D155 PolarHBondContact O-N 3.27Å; I9-V161 HydrophobicContact CB-CG2 3.84Å; I9-V161 HydrophobicContact CG1-CG2 3.73Å; I9-V161 HydrophobicContact CG2-CG2 4.25Å
10G97.6Very high96.6Very high8 Ų825 Ų258%0.08213%0.133CC..  trans99.2126.4-177.200000113G15 L31 A154G10-G15 WeakPolarHBondContact O-CA 3.24Å; G10-L31 WeakPolarHBondContact CA-O 3.44Å; G10-L31 PolarHBondContact N-O 3.08Å; G10-A154 WeakPolarHBondContact O-CB 3.3Å
11L96.9Very high96.6Very high0 Ų027.8 Ų27.80%014%0.144CC..  trans-114.852.5175.3-65.6174.1000110.3S16 A19 A30 D32 K34 K108 I111 V117L11-S16 PolarHBondContact O-OG 2.89Å; L11-A19 HydrophobicContact CD2-CB 4.2Å; L11-A30 HydrophobicContact CD1-CB 3.97Å; L11-A30 HydrophobicContact CD2-CB 3.75Å; L11-A30 HydrophobicContact CG-CB 4.08Å; L11-D32 WeakPolarHBondContact CA-OD2 3.3Å; L11-D32 HydrophobicContact CB-CB 3.63Å; L11-D32 HydrophobicContact CD1-CB 3.91Å; L11-D32 HydrophobicContact CG-CB 3.87Å; L11-D32 PolarHBondContact N-OD2 3.16Å; L11-K34 WeakPolarHBondContact O-CE 3.48Å; L11-K34 PolarHBondContact O-NZ 2.89Å; L11-K108 HydrophobicContact CB-CD 4.22Å; L11-K108 HydrophobicContact CB-CG 3.9Å; L11-K108 HydrophobicContact CD1-CG 4.35Å; L11-I111 HydrophobicContact CD1-CD1 3.93Å; L11-I111 HydrophobicContact CD2-CD1 3.73Å; L11-I111 HydrophobicContact CG-CD1 4.38Å; L11-V117 HydrophobicContact CD1-CG1 3.44Å; L11-V117 VanDerWaalsContact CD1-CG1 3.44Å
12G94.2Very high97.1Very high12 Ų1221.6 Ų21.612%0.12411%0.114CC..SBendtrans-73.4-169.715600000110.6A14 G15 S16G12-A14 VanDerWaalsContact C-N 3.28Å; G12-A14 PolarHBondContact O-N 2.85Å; G12-A14 VanDerWaalsContact O-N 3.16Å; G12-G15 PolarHBondContact O-N 2.81Å; G12-G15 VanDerWaalsContact O-N 3.1Å; G12-S16 PolarHBondContact O-N 3.21Å; G12-S16 PolarHBondContact O-OG 2.8Å
13P94.4Very high97.2Very high17 Ų1717.9 Ų17.911%0.1110%0.099CC..Hα-helixtrans-57.1-40.2-174.4-26.836.1000113.6A17 F103P13-A17 WeakPolarHBondContact O-CB 3.13Å; P13-A17 PolarHBondContact O-N 3.02Å; P13-F103 HydrophobicContact CB-CE1 4.28Å; P13-F103 HydrophobicContact CG-CE1 3.73Å
14A94Very high97.1Very high22 Ų2217.8 Ų17.818%0.18212%0.116CC..Hα-helixtrans-66.7-46.417700000112.8G12 L18 W275G12-A14 VanDerWaalsContact C-N 3.28Å; G12-A14 PolarHBondContact O-N 2.85Å; G12-A14 VanDerWaalsContact O-N 3.16Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.63Å; A14-W275 WeakPolarHBondContact CB-O 3.37Å
15G97.2Very high97Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-67.4-46.4-17900000112.6G10 G12 A17 L18 A19G10-G15 WeakPolarHBondContact O-CA 3.24Å; G12-G15 PolarHBondContact O-N 2.81Å; G12-G15 VanDerWaalsContact O-N 3.1Å; G15-A17 PolarHBondContact O-N 3.03Å; G15-L18 PolarHBondContact O-N 2.79Å; G15-A19 WeakPolarHBondContact O-CB 3.13Å; G15-A19 PolarHBondContact O-N 2.93Å
16S97.9Very high96.9Very high0 Ų025.5 Ų25.50%015%0.149CC..Hα-helixtrans-64.8-39.5177.3-53.90000112.1L11 G12 R20 M107L11-S16 PolarHBondContact O-OG 2.89Å; G12-S16 PolarHBondContact O-N 3.21Å; G12-S16 PolarHBondContact O-OG 2.8Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.27Å; S16-M107 WeakPolarHBondContact CB-O 3.39Å
17A96.8Very high96.9Very high14 Ų1430.9 Ų30.912%0.11617%0.174CC..Hα-helixtrans-63.3-42.6174.800000112P13 G15 K21 M107P13-A17 WeakPolarHBondContact O-CB 3.13Å; P13-A17 PolarHBondContact O-N 3.02Å; G15-A17 PolarHBondContact O-N 3.03Å; A17-K21 VanDerWaalsContact O-CG 3.3Å; A17-K21 WeakPolarHBondContact O-CG 3.5Å; A17-K21 PolarHBondContact O-N 2.87Å; A17-M107 HydrophobicContact CB-CE 4.32Å
18L96.8Very high96.9Very high16 Ų1630.9 Ų30.98%0.08417%0.174CC..Hα-helixtrans-64.7-50.9176.9-177.863.6000111.5I8 A14 G15 R20 K21 L22 V152I8-L18 HydrophobicContact CD1-CB 4.37Å; I8-L18 HydrophobicContact CD1-CD2 4.02Å; I8-L18 HydrophobicContact CD1-CG 4.05Å; I8-L18 HydrophobicContact CG1-CD2 4.4Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.63Å; G15-L18 PolarHBondContact O-N 2.79Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 2.94Å; L18-K21 PolarHBondContact O-N 3.48Å; L18-L22 HydrophobicContact CD1-CD1 3.97Å; L18-L22 HydrophobicContact CD1-CD2 4.22Å; L18-L22 HydrophobicContact CD1-CG 3.95Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 HydrophobicContact CG-CG 4.22Å; L18-L22 WeakPolarHBondContact O-CG 3.22Å; L18-L22 PolarHBondContact O-N 2.8Å; L18-V152 HydrophobicContact CD2-CB 4.22Å; L18-V152 HydrophobicContact CD2-CG1 3.74Å; L18-V152 HydrophobicContact CD2-CG2 3.84Å
19A98.3Very high96.9Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-51.8-48.3178.700000111.2I8 L11 G15 K21 L22 A23 I111 V115I8-A19 HydrophobicContact CD1-CB 3.91Å; L11-A19 HydrophobicContact CD2-CB 4.2Å; G15-A19 WeakPolarHBondContact O-CB 3.13Å; G15-A19 PolarHBondContact O-N 2.93Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.06Å; A19-L22 PolarHBondContact O-N 2.9Å; A19-A23 PolarHBondContact O-N 3.4Å; A19-I111 HydrophobicContact CB-CD1 3.96Å; A19-I111 HydrophobicContact CB-CG1 4.13Å; A19-I111 HydrophobicContact CB-CG2 4.03Å; A19-V115 HydrophobicContact CB-CG1 4.39Å
20R96.8Very high97Very high40 Ų4030.5 Ų30.515%0.15117%0.172CC..Hα-helixtrans-58-39.1176.3-169.9179.690-98-2.5113.2S16 L18 D61 L110S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.27Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 2.94Å; R20-D61 IonicContact CZ-OD2 2.62Å; R20-D61 VanDerWaalsContact NH2-CB 3.28Å; R20-D61 IonicContact NH2-OD1 3.9Å; R20-D61 IonicContact NH2-OD2 2.73Å; R20-D61 PolarHBondContact NH2-OD2 3.29Å; R20-L110 WeakPolarHBondContact CD-O 3.42Å; R20-L110 WeakPolarHBondContact CG-O 3.39Å
21K96.3Very high97Very high84 Ų8430.4 Ų30.437%0.36517%0.17SC..Hα-helixtrans-75.4-26-178.2-71.1-69.2-175.5-179.40113.6A17 L18 A19 K25 D61A17-K21 VanDerWaalsContact O-CG 3.3Å; A17-K21 WeakPolarHBondContact O-CG 3.5Å; A17-K21 PolarHBondContact O-N 2.87Å; L18-K21 PolarHBondContact O-N 3.48Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.06Å; K21-K25 PolarHBondContact O-NZ 3.22Å; K21-D61 WeakPolarHBondContact CE-OD1 3.49Å; K21-D61 IonicContact NZ-OD1 3.77Å; K21-D61 PolarHBondContact NZ-OD1 2.87Å
22L97.5Very high97Very high14 Ų1430.9 Ų30.97%0.07317%0.172CC..Hα-helixtrans-91.2-19.4179.1-59.3-171000113.3V6 L18 A19 G24 K25 M26 V28 L271V6-L22 HydrophobicContact CB-CD1 4.33Å; V6-L22 HydrophobicContact CG1-CD1 4.16Å; V6-L22 HydrophobicContact CG2-CD1 4.01Å; L18-L22 HydrophobicContact CD1-CD1 3.97Å; L18-L22 HydrophobicContact CD1-CD2 4.22Å; L18-L22 HydrophobicContact CD1-CG 3.95Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 HydrophobicContact CG-CG 4.22Å; L18-L22 WeakPolarHBondContact O-CG 3.22Å; L18-L22 PolarHBondContact O-N 2.8Å; A19-L22 PolarHBondContact O-N 2.9Å; L22-G24 PolarHBondContact O-N 2.89Å; L22-K25 WeakPolarHBondContact O-CB 3.48Å; L22-K25 PolarHBondContact O-N 2.86Å; L22-M26 HydrophobicContact CB-CE 4.12Å; L22-M26 HydrophobicContact CD1-CE 3.83Å; L22-M26 HydrophobicContact CD2-CE 3.32Å; L22-M26 HydrophobicContact CG-CE 3.92Å; L22-M26 PolarHBondContact O-N 3.4Å; L22-V28 HydrophobicContact CB-CG2 3.77Å; L22-V28 HydrophobicContact CD1-CG2 4.34Å; L22-L271 HydrophobicContact CD2-CD2 4.28Å
23A97.3Very high97.1Very high17 Ų1734.1 Ų34.114%0.1418%0.183CC..THydrogen-bonded Turntrans-49.6133178.700000112.5A19 K25 P112 V115A19-A23 PolarHBondContact O-N 3.4Å; A23-K25 PolarHBondContact O-N 3.01Å; A23-P112 HydrophobicContact CB-CB 3.93Å; A23-P112 HydrophobicContact CB-CG 3.59Å; A23-V115 HydrophobicContact CB-CG2 3.68Å
24G95.9Very high97.2Very high65 Ų6533.5 Ų33.567%0.6718%0.178SC*.THydrogen-bonded Turntrans72.3-4.6-178.900000115.7L22 S114L22-G24 PolarHBondContact O-N 2.89Å; G24-S114 PolarHBondContact N-OG 3.03Å; G24-S114 VanDerWaalsContact N-OG 3.1Å
25K97.2Very high97.2Very high158 Ų15835 Ų3569%0.68718%0.182SC*.THydrogen-bonded Turntrans-105.8-23.4177.2-59.6173.2-173.2160.10113.1K21 L22 A23K21-K25 PolarHBondContact O-NZ 3.22Å; L22-K25 WeakPolarHBondContact O-CB 3.48Å; L22-K25 PolarHBondContact O-N 2.86Å; A23-K25 PolarHBondContact O-N 3.01Å
26M96.8Very high97.1Very high54 Ų5441.5 Ų41.527%0.26621%0.212SC..SBendtrans-148.3155.3-175.8-80.7-174-76.100108.9D5 V6 L22 V28D5-M26 HydrophobicContact CB-CB 3.84Å; D5-M26 HydrophobicContact CB-CG 4Å; D5-M26 HydrophobicContact CB-SD 4.09Å; D5-M26 WeakPolarHBondContact OD2-CA 3.47Å; V6-M26 HydrophobicContact CG2-CE 4.2Å; V6-M26 HydrophobicContact CG2-SD 3.81Å; L22-M26 HydrophobicContact CB-CE 4.12Å; L22-M26 HydrophobicContact CD1-CE 3.83Å; L22-M26 HydrophobicContact CD2-CE 3.32Å; L22-M26 HydrophobicContact CG-CE 3.92Å; L22-M26 PolarHBondContact O-N 3.4Å; M26-V28 HydrophobicContact CB-CG2 4.05Å; M26-V28 PolarHBondContact O-N 2.87Å
27Q98.2Very high97Very high117 Ų11746 Ų4655%0.54724%0.242SC..  trans-76.3109.2167.9-65.3-169.8-72.900108.7F4 D5 V6F4-Q27 HydrophobicContact CD1-CB 4.29Å; D5-Q27 WeakPolarHBondContact CB-O 3.41Å; D5-Q27 PolarHBondContact N-O 3.21Å; D5-Q27 PolarHBondContact OD2-N 3.01Å; V6-Q27 PolarHBondContact N-O 2.85Å
28V98.8Very high96.8Very high2 Ų247.4 Ų47.41%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-118.1129.6-174.4-175.70000109.7V6 I8 L22 M26 V115 E116V6-V28 HydrophobicContact CB-CG1 4.4Å; V6-V28 HydrophobicContact CB-CG2 4.29Å; V6-V28 WeakPolarHBondContact O-CA 3.48Å; I8-V28 HydrophobicContact CD1-CG1 3.76Å; I8-V28 HydrophobicContact CG1-CG1 4.17Å; L22-V28 HydrophobicContact CB-CG2 3.77Å; L22-V28 HydrophobicContact CD1-CG2 4.34Å; M26-V28 HydrophobicContact CB-CG2 4.05Å; M26-V28 PolarHBondContact O-N 2.87Å; V28-V115 HydrophobicContact CB-CG1 4Å; V28-V115 HydrophobicContact CB-CG2 4.19Å; V28-V115 HydrophobicContact CG1-CG1 3.85Å; V28-V115 WeakPolarHBondContact O-CG1 3.22Å; V28-E116 PolarHBondContact O-N 2.86Å
29I98.7Very high96.5Very high1 Ų152.6 Ų52.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-108.2137.9165.3-173.1173000109.5F4 V6 A7 I8 L31 E116 Y118 F137 I146F4-I29 HydrophobicContact CB-CG2 4.04Å; F4-I29 HydrophobicContact CD1-CB 3.75Å; F4-I29 HydrophobicContact CD1-CG2 4.04Å; F4-I29 HydrophobicContact CD2-CB 4.03Å; F4-I29 HydrophobicContact CD2-CD1 4.5Å; F4-I29 HydrophobicContact CD2-CG2 3.67Å; F4-I29 HydrophobicContact CE1-CB 3.79Å; F4-I29 HydrophobicContact CE1-CG2 4.45Å; F4-I29 HydrophobicContact CE2-CB 4.06Å; F4-I29 HydrophobicContact CE2-CD1 3.91Å; F4-I29 HydrophobicContact CE2-CG2 4.11Å; F4-I29 HydrophobicContact CG-CB 3.88Å; F4-I29 HydrophobicContact CG-CG2 3.63Å; F4-I29 HydrophobicContact CZ-CB 3.94Å; F4-I29 HydrophobicContact CZ-CD1 4.01Å; F4-I29 HydrophobicContact CZ-CG1 4.4Å; F4-I29 HydrophobicContact CZ-CG2 4.48Å; V6-I29 PolarHBondContact O-N 3.37Å; A7-I29 CarbonylContact C-O 3.55Å; A7-I29 WeakPolarHBondContact CA-O 3.4Å; A7-I29 HydrophobicContact CB-CG2 3.79Å; I8-I29 PolarHBondContact N-O 3.18Å; I29-L31 HydrophobicContact CD1-CD2 4.16Å; I29-L31 HydrophobicContact CG1-CD2 4.13Å; I29-E116 CarbonylContact C-O 3.53Å; I29-E116 VanDerWaalsContact CA-O 3.3Å; I29-E116 WeakPolarHBondContact CA-O 3.48Å; I29-E116 HydrophobicContact CG1-CB 4.48Å; I29-Y118 HydrophobicContact CD1-CD2 3.91Å; I29-Y118 HydrophobicContact CD1-CE2 3.69Å; I29-Y118 HydrophobicContact CG1-CD2 4.06Å; I29-Y118 HydrophobicContact CG1-CE2 4.18Å; I29-F137 HydrophobicContact CD1-CE1 4.15Å; I29-F137 HydrophobicContact CD1-CZ 4.09Å; I29-I146 HydrophobicContact CD1-CG1 4.25Å; I29-I146 HydrophobicContact CD1-CG2 4.37Å; I29-I146 HydrophobicContact CG2-CD1 4.1Å
30A98.7Very high96Very high0 Ų059.5 Ų59.50%032%0.323CS..EExtended strand (participates in β ladder)trans-133.8132.817700000112.2I8 L11 V115 E116 V117 Y118I8-A30 HydrophobicContact CB-CB 4.08Å; I8-A30 CarbonylContact O-C 3.54Å; I8-A30 WeakPolarHBondContact O-CA 3.26Å; L11-A30 HydrophobicContact CD1-CB 3.97Å; L11-A30 HydrophobicContact CD2-CB 3.75Å; L11-A30 HydrophobicContact CG-CB 4.08Å; A30-V115 HydrophobicContact CB-CG1 4.26Å; A30-E116 PolarHBondContact N-O 3.46Å; A30-V117 WeakPolarHBondContact O-CA 3.31Å; A30-Y118 PolarHBondContact O-N 3.29Å
31L98.4Very high95.6Very high6 Ų659.9 Ų59.93%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-114.5132.5-177-48.5-178.2000109.9I8 I9 G10 I29 Y118 C123 V135 F137I8-L31 PolarHBondContact O-N 2.88Å; I9-L31 HydrophobicContact CD1-CD1 3.8Å; I9-L31 HydrophobicContact CD1-CG 4.26Å; G10-L31 WeakPolarHBondContact CA-O 3.44Å; G10-L31 PolarHBondContact N-O 3.08Å; I29-L31 HydrophobicContact CD1-CD2 4.16Å; I29-L31 HydrophobicContact CG1-CD2 4.13Å; L31-Y118 HydrophobicContact CD2-CD2 3.79Å; L31-Y118 HydrophobicContact CD2-CG 4Å; L31-C123 HydrophobicContact CD1-CB 4.22Å; L31-V135 HydrophobicContact CD1-CG1 4.17Å; L31-F137 HydrophobicContact CD1-CB 3.47Å; L31-F137 VanDerWaalsContact CD1-CB 3.47Å; L31-F137 HydrophobicContact CD1-CD1 3.75Å; L31-F137 HydrophobicContact CD1-CD2 4.03Å; L31-F137 HydrophobicContact CD1-CE1 4.46Å; L31-F137 HydrophobicContact CD1-CG 3.5Å; L31-F137 VanDerWaalsContact CD1-CG 3.5Å; L31-F137 HydrophobicContact CD2-CD1 4.23Å; L31-F137 HydrophobicContact CD2-CD2 3.79Å; L31-F137 HydrophobicContact CD2-CE1 4.2Å; L31-F137 HydrophobicContact CD2-CE2 3.76Å; L31-F137 HydrophobicContact CD2-CG 4.03Å; L31-F137 HydrophobicContact CD2-CZ 3.97Å; L31-F137 HydrophobicContact CG-CG 4.43Å
32D97.4Very high95.3Very high10 Ų1059.8 Ų59.85%0.05334%0.34CS..  trans-144.9143174.3-170-97.8000113.1L11 K34 Y118 H119 D120 S121L11-D32 WeakPolarHBondContact CA-OD2 3.3Å; L11-D32 HydrophobicContact CB-CB 3.63Å; L11-D32 HydrophobicContact CD1-CB 3.91Å; L11-D32 HydrophobicContact CG-CB 3.87Å; L11-D32 PolarHBondContact N-OD2 3.16Å; D32-K34 VanDerWaalsContact C-N 3.3Å; D32-K34 PolarHBondContact O-N 3.4Å; D32-K34 WeakPolarHBondContact OD1-CA 2.84Å; D32-K34 WeakPolarHBondContact OD1-CB 3.3Å; D32-K34 WeakPolarHBondContact OD1-CE 3.03Å; D32-K34 WeakPolarHBondContact OD1-CG 3.29Å; D32-K34 PolarHBondContact OD1-N 2.97Å; D32-K34 IonicContact OD1-NZ 3.67Å; D32-K34 PolarHBondContact OD1-NZ 2.76Å; D32-K34 IonicContact OD2-NZ 2.7Å; D32-K34 PolarHBondContact OD2-NZ 3.04Å; D32-Y118 PolarHBondContact N-O 2.78Å; D32-H119 CarbonylContact O-C 3.43Å; D32-D120 PolarHBondContact O-N 3.41Å; D32-S121 CarbonylContact C-O 3.42Å; D32-S121 PolarHBondContact O-N 2.79Å
33K95.7Very high94.9Very high80 Ų8061.6 Ų61.635%0.34835%0.353SS..SBendtrans-74.2-16.8-178.5-59.8-176.6-63.6173.50113.9F42 L122K33-F42 HydrophobicContact CB-CB 3.93Å; K33-F42 HydrophobicContact CB-CD1 3.98Å; K33-F42 HydrophobicContact CB-CG 3.95Å; K33-F42 WeakPolarHBondContact O-CB 3.44Å; K33-L122 HydrophobicContact CD-CD1 3.94Å; K33-L122 HydrophobicContact CG-CD1 4.26Å
34K95.5Very high94.4Very high4 Ų463.1 Ų63.12%0.01736%0.357CS..BIsolated β-bridgetrans-76.5144.6176.7-56.4176.5-69.6-720108.5L11 D32 F42 D104 L105 K108 D120L11-K34 WeakPolarHBondContact O-CE 3.48Å; L11-K34 PolarHBondContact O-NZ 2.89Å; D32-K34 VanDerWaalsContact C-N 3.3Å; D32-K34 PolarHBondContact O-N 3.4Å; D32-K34 WeakPolarHBondContact OD1-CA 2.84Å; D32-K34 WeakPolarHBondContact OD1-CB 3.3Å; D32-K34 WeakPolarHBondContact OD1-CE 3.03Å; D32-K34 WeakPolarHBondContact OD1-CG 3.29Å; D32-K34 PolarHBondContact OD1-N 2.97Å; D32-K34 IonicContact OD1-NZ 3.67Å; D32-K34 PolarHBondContact OD1-NZ 2.76Å; D32-K34 IonicContact OD2-NZ 2.7Å; D32-K34 PolarHBondContact OD2-NZ 3.04Å; K34-F42 HydrophobicContact CG-CD1 3.89Å; K34-F42 WeakPolarHBondContact CG-O 3.42Å; K34-D104 HydrophobicContact CD-CB 3.97Å; K34-L105 HydrophobicContact CB-CD2 4.31Å; K34-K108 PolarHBondContact O-NZ 2.89Å; K34-D120 PolarHBondContact O-N 2.72Å; K34-D120 VanDerWaalsContact O-N 3.13Å
35H95.6Very high93.9Very high54 Ų5461.3 Ų61.325%0.2533%0.333CS..  trans-58.5164.3166.8-63.5-174.5000111C37 L105 K108 D120H35-C37 WeakPolarHBondContact CB-O 3.38Å; H35-L105 VanDerWaalsContact O-CD2 3.22Å; H35-L105 WeakPolarHBondContact O-CD2 3.24Å; H35-K108 PolarHBondContact O-NZ 3.31Å; H35-D120 IonicContact CD2-OD1 3.79Å; H35-D120 IonicContact NE2-OD1 3.84Å; H35-D120 IonicContact NE2-OD2 3.84Å
36Q95.2Very high93.3Very high136 Ų13656.2 Ų56.264%0.63632%0.317SS*.SBendtrans-63.2-44.2176.7-171.5169.93.600111.9H119Q36-H119 HydrophobicContact CB-CB 4.34Å; Q36-H119 WeakPolarHBondContact CB-CD2 3.4Å; Q36-H119 WeakPolarHBondContact CG-NE2 3.48Å
37C94.6Very high92.8Very high93 Ų9354.2 Ų54.263%0.62831%0.31SS*.SBendtrans-141.6177-179.3620000110.3H35H35-C37 WeakPolarHBondContact CB-O 3.38Å
38G93.2Very high92.4Very high45 Ų4548.8 Ų48.846%0.46429%0.285SS..SBendtrans81.9177177.700000114.3H101 L105G38-H101 PolarHBondContact O-CD2 2.81Å; G38-H101 PolarHBondContact O-NE2 3.42Å; G38-L105 VanDerWaalsContact O-CD1 3.24Å; G38-L105 WeakPolarHBondContact O-CD1 3.38Å
39T89.9Confident92.3Very high124 Ų12451 Ų5176%0.76130%0.297SS*.SBendtrans-103.5-3.2-175.651.90000113.5
40E88.8Confident92.1Very high145 Ų14551.7 Ų51.768%0.67830%0.3SS*.  trans-82168.1-179.6-59.9-172.2-178.400112.6
41G88.2Confident91.8Very high49 Ų4953.1 Ų53.151%0.50531%0.312SS..BIsolated β-bridgetrans77.6-153.117700000113.7S43G41-S43 PolarHBondContact O-N 3.41Å
42F89.9Confident91.6Very high82 Ų8253.8 Ų53.836%0.3632%0.317SS..  trans-67.7129-177178.6-99000111.5K33 K34K33-F42 HydrophobicContact CB-CB 3.93Å; K33-F42 HydrophobicContact CB-CD1 3.98Å; K33-F42 HydrophobicContact CB-CG 3.95Å; K33-F42 WeakPolarHBondContact O-CB 3.44Å; K34-F42 HydrophobicContact CG-CD1 3.89Å; K34-F42 WeakPolarHBondContact CG-O 3.42Å
43S88.7Confident91.3Very high52 Ų5257.6 Ų57.636%0.36434%0.338SS..  trans-134.4148.3168.261.80000110.5G41G41-S43 PolarHBondContact O-N 3.41Å
44K87.2Confident91Very high48 Ų4854.7 Ų54.721%0.20933%0.329CS..  trans-99.6123.8179.7-173.4176.4-179.6179.30110R100 T279K44-R100 WeakPolarHBondContact O-CG 3.46Å; K44-T279 PolarHBondContact NZ-OG1 2.69Å
45P84.5Confident90.9Very high28 Ų2856.6 Ų56.618%0.18234%0.337CS..  trans-71.5138.6175.629.5-33.5000110.8E248 C250P45-E248 HydrophobicContact CB-CB 3.66Å; P45-E248 HydrophobicContact CB-CG 4.3Å; P45-E248 HydrophobicContact CG-CB 4.19Å; P45-C250 HydrophobicContact CG-CB 3.61Å
46C86Confident90.8Very high51 Ų5160.2 Ų60.235%0.34535%0.349SS..  trans-161.5156.9-179.2-175.60000108.7G48 R100 Q178C46-G48 PolarHBondContact O-N 3.33Å; C46-G48 PolarHBondContact SG-N 3.48Å; C46-G48 VanDerWaalsContact SG-N 3.38Å; C46-R100 HydrophobicContact CB-CB 4.17Å; C46-R100 HydrophobicContact CB-CG 3.8Å; C46-Q178 PolarHBondContact O-NE2 2.82Å
47G84.9Confident90.6Very high12 Ų1255.9 Ų55.912%0.12433%0.334CS..  trans-64.8-22.3169.200000113.5I206 K208G47-I206 VanDerWaalsContact C-CD1 3.46Å; G47-I206 WeakPolarHBondContact O-CD1 3.38Å; G47-K208 WeakPolarHBondContact O-CE 3.31Å; G47-K208 PolarHBondContact O-NZ 2.97Å
48G91.4Very high90.4Very high2 Ų252.5 Ų52.52%0.02131%0.308CS..  trans63.141.6177.800000112.8C46 N97 I98 K208C46-G48 PolarHBondContact O-N 3.33Å; C46-G48 PolarHBondContact SG-N 3.48Å; C46-G48 VanDerWaalsContact SG-N 3.38Å; G48-N97 PolarHBondContact O-OD1 3.46Å; G48-I98 VanDerWaalsContact O-CG1 3.23Å; G48-I98 WeakPolarHBondContact O-CG1 3.16Å; G48-I98 PolarHBondContact O-N 3.38Å; G48-K208 PolarHBondContact O-NZ 3.03Å
49L95.5Very high90.3Very high49 Ų4956.8 Ų56.826%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-109.2114.8171-66.2-179.2000108.7A51 Y95 N97 Y190 I206L49-A51 PolarHBondContact O-N 2.9Å; L49-Y95 HydrophobicContact CB-CD1 3.91Å; L49-Y95 HydrophobicContact CB-CG 3.97Å; L49-Y95 HydrophobicContact CD1-CD2 4.27Å; L49-Y95 HydrophobicContact CD1-CG 4.3Å; L49-N97 HydrophobicContact CD2-CB 3.91Å; L49-Y190 HydrophobicContact CD1-CD2 4.05Å; L49-Y190 HydrophobicContact CD1-CE2 4.49Å; L49-Y190 HydrophobicContact CD1-CG 4.19Å; L49-Y190 HydrophobicContact CD2-CD2 4.06Å; L49-Y190 HydrophobicContact CD2-CE1 4.26Å; L49-Y190 HydrophobicContact CD2-CE2 3.66Å; L49-I206 HydrophobicContact CD1-CD1 3.89Å; L49-I206 HydrophobicContact CD1-CG1 4.12Å; L49-I206 HydrophobicContact CD2-CG2 4.29Å; L49-I206 HydrophobicContact CG-CD1 3.93Å
50L94.6Very high90.5Very high15 Ų1560.6 Ų60.68%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-84.1112.6178.3-169.872.7000109.9A54 Q55 F58 L65 Y95 I96L50-A54 HydrophobicContact CD1-CB 3.46Å; L50-A54 VanDerWaalsContact CD1-CB 3.46Å; L50-A54 HydrophobicContact CG-CB 3.98Å; L50-Q55 HydrophobicContact CD2-CG 3.74Å; L50-Q55 HydrophobicContact CG-CG 4.03Å; L50-Q55 PolarHBondContact O-NE2 3.41Å; L50-F58 HydrophobicContact CD1-CE2 4.24Å; L50-F58 HydrophobicContact CD1-CZ 4.13Å; L50-F58 HydrophobicContact CD2-CD2 4.02Å; L50-F58 HydrophobicContact CD2-CE2 3.4Å; L50-F58 HydrophobicContact CD2-CZ 4.12Å; L50-F58 HydrophobicContact CG-CE2 4.46Å; L50-L65 HydrophobicContact CD2-CD1 3.79Å; L50-Y95 WeakPolarHBondContact O-CA 3.39Å; L50-I96 HydrophobicContact CB-CB 4.22Å; L50-I96 PolarHBondContact N-O 3.16Å; L50-I96 PolarHBondContact O-N 2.87Å; L50-I96 VanDerWaalsContact O-N 3.13Å
51A93.4Very high90.6Very high30 Ų3055.7 Ų55.725%0.24830%0.298CS..  trans-68.1154.4179.800000112.5L49 D53 A54 Q55 Y95L49-A51 PolarHBondContact O-N 2.9Å; A51-D53 PolarHBondContact O-N 2.83Å; A51-D53 VanDerWaalsContact O-N 3.15Å; A51-A54 WeakPolarHBondContact O-CB 3.3Å; A51-A54 PolarHBondContact O-N 3.32Å; A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 3.28Å; A51-Y95 HydrophobicContact CB-CD1 4.25Å; A51-Y95 HydrophobicContact CB-CE1 3.84Å
52P93.4Very high90.9Very high21 Ų2156.5 Ų56.514%0.13631%0.307CS..Hα-helixtrans-52.4-36.6176.4-29.936.1000114.2A54 Q55 R56P52-A54 VanDerWaalsContact C-N 3.32Å; P52-A54 PolarHBondContact O-N 2.81Å; P52-Q55 WeakPolarHBondContact O-CB 3.34Å; P52-Q55 PolarHBondContact O-N 3.44Å; P52-R56 WeakPolarHBondContact O-CG 3.42Å; P52-R56 PolarHBondContact O-N 2.87Å
53D90.6Very high91.1Very high90 Ų9054 Ų5448%0.48130%0.297SS..Hα-helixtrans-64.6-38.2178.6-55.2-48.8000112.1A51 R56 S57A51-D53 PolarHBondContact O-N 2.83Å; A51-D53 VanDerWaalsContact O-N 3.15Å; D53-R56 PolarHBondContact O-N 3.18Å; D53-R56 IonicContact OD1-CZ 2.76Å; D53-R56 IonicContact OD1-NH1 2.85Å; D53-R56 PolarHBondContact OD1-NH1 2.92Å; D53-S57 PolarHBondContact O-N 3.37Å
54A91.1Very high91.4Very high19 Ų1957.4 Ų57.416%0.15732%0.316CS..Hα-helixtrans-71.5-35.6174.900000111.6L50 A51 P52 R56 S57 F58L50-A54 HydrophobicContact CD1-CB 3.46Å; L50-A54 VanDerWaalsContact CD1-CB 3.46Å; L50-A54 HydrophobicContact CG-CB 3.98Å; A51-A54 WeakPolarHBondContact O-CB 3.3Å; A51-A54 PolarHBondContact O-N 3.32Å; P52-A54 VanDerWaalsContact C-N 3.32Å; P52-A54 PolarHBondContact O-N 2.81Å; A54-R56 VanDerWaalsContact C-N 3.32Å; A54-R56 PolarHBondContact O-N 3.41Å; A54-S57 WeakPolarHBondContact O-CB 3.47Å; A54-S57 PolarHBondContact O-N 3.22Å; A54-S57 VanDerWaalsContact O-N 3.16Å; A54-F58 PolarHBondContact O-N 3.11Å
55Q92.9Very high91.7Very high44 Ų4456.4 Ų56.421%0.20631%0.312CS..Hα-helixtrans-60.6-41.7172.4-62.6166.231.200111.2L50 A51 P52 S57 F58 I59 S94 I96L50-Q55 HydrophobicContact CD2-CG 3.74Å; L50-Q55 HydrophobicContact CG-CG 4.03Å; L50-Q55 PolarHBondContact O-NE2 3.41Å; A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 3.28Å; P52-Q55 WeakPolarHBondContact O-CB 3.34Å; P52-Q55 PolarHBondContact O-N 3.44Å; Q55-S57 VanDerWaalsContact C-N 3.26Å; Q55-S57 PolarHBondContact O-N 3.22Å; Q55-F58 WeakPolarHBondContact O-CB 3.42Å; Q55-F58 PolarHBondContact O-N 3.37Å; Q55-I59 PolarHBondContact O-N 3.28Å; Q55-I59 VanDerWaalsContact O-N 3.13Å; Q55-S94 PolarHBondContact NE2-O 2.98Å; Q55-I96 HydrophobicContact CG-CD1 3.93Å; Q55-I96 HydrophobicContact CG-CG1 4.46Å
56R92.7Very high92.3Very high130 Ų13056.9 Ų56.949%0.49132%0.315SS..Hα-helixtrans-61.8-32.9175.4-67.7-170.9-153.4110.13.2112.8P52 D53 A54 F58 I59 R60P52-R56 WeakPolarHBondContact O-CG 3.42Å; P52-R56 PolarHBondContact O-N 2.87Å; D53-R56 PolarHBondContact O-N 3.18Å; D53-R56 IonicContact OD1-CZ 2.76Å; D53-R56 IonicContact OD1-NH1 2.85Å; D53-R56 PolarHBondContact OD1-NH1 2.92Å; A54-R56 VanDerWaalsContact C-N 3.32Å; A54-R56 PolarHBondContact O-N 3.41Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.83Å; R56-I59 PolarHBondContact O-N 2.89Å; R56-R60 WeakPolarHBondContact O-CG 3.43Å; R56-R60 PolarHBondContact O-N 2.98Å; R56-R60 VanDerWaalsContact O-N 3.09Å
57S91.3Very high92.8Very high45 Ų4560.5 Ų60.532%0.31534%0.335SS..Hα-helixtrans-62.9-36.7173.2-64.20000112.2D53 A54 Q55 D61D53-S57 PolarHBondContact O-N 3.37Å; A54-S57 WeakPolarHBondContact O-CB 3.47Å; A54-S57 PolarHBondContact O-N 3.22Å; A54-S57 VanDerWaalsContact O-N 3.16Å; Q55-S57 VanDerWaalsContact C-N 3.26Å; Q55-S57 PolarHBondContact O-N 3.22Å; S57-D61 WeakPolarHBondContact O-CB 3.33Å; S57-D61 PolarHBondContact O-N 2.69Å
58F91.4Very high93.2Very high22 Ų2265.9 Ų65.910%0.09636%0.362CS..Hα-helixtrans-70.7-40.3176.9-63.2-9.1000112.2L50 A54 Q55 R56 R60 D61 G62 L63 L65 F103 W106 M107L50-F58 HydrophobicContact CD1-CE2 4.24Å; L50-F58 HydrophobicContact CD1-CZ 4.13Å; L50-F58 HydrophobicContact CD2-CD2 4.02Å; L50-F58 HydrophobicContact CD2-CE2 3.4Å; L50-F58 HydrophobicContact CD2-CZ 4.12Å; L50-F58 HydrophobicContact CG-CE2 4.46Å; A54-F58 PolarHBondContact O-N 3.11Å; Q55-F58 WeakPolarHBondContact O-CB 3.42Å; Q55-F58 PolarHBondContact O-N 3.37Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.83Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 3.14Å; F58-D61 CarbonylContact O-C 3.46Å; F58-D61 WeakPolarHBondContact O-CA 3.32Å; F58-D61 PolarHBondContact O-N 3.47Å; F58-G62 PolarHBondContact O-N 2.75Å; F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CG-CB 4.48Å; F58-L63 PolarHBondContact O-N 2.92Å; F58-L65 HydrophobicContact CD2-CD1 4.49Å; F58-L65 HydrophobicContact CD2-CD2 4.45Å; F58-L65 HydrophobicContact CD2-CG 4.22Å; F58-L65 HydrophobicContact CE2-CD1 4.35Å; F58-L65 HydrophobicContact CE2-CD2 4Å; F58-L65 HydrophobicContact CE2-CG 4.19Å; F58-F103 HydrophobicContact CE1-CZ 4.41Å; F58-F103 AromaticContact CE2-CE2 3.74Å; F58-F103 HydrophobicContact CE2-CE2 3.74Å; F58-F103 HydrophobicContact CE2-CZ 4.25Å; F58-F103 AromaticContact CZ-CE2 3.45Å; F58-F103 HydrophobicContact CZ-CE2 3.45Å; F58-F103 VanDerWaalsContact CZ-CE2 3.45Å; F58-F103 AromaticContact CZ-CZ 3.52Å; F58-F103 HydrophobicContact CZ-CZ 3.52Å; F58-W106 HydrophobicContact CE2-CZ3 4.3Å; F58-M107 HydrophobicContact CE1-SD 4.43Å
59I91.1Very high93.5Very high134 Ų13465.9 Ų65.969%0.68736%0.361SS*.Hα-helixtrans-57.3-47174.5-62.7170.1000110.5Q55 R56 D61 G62Q55-I59 PolarHBondContact O-N 3.28Å; Q55-I59 VanDerWaalsContact O-N 3.13Å; R56-I59 PolarHBondContact O-N 2.89Å; I59-D61 PolarHBondContact O-N 2.75Å; I59-D61 VanDerWaalsContact O-N 3.17Å; I59-G62 PolarHBondContact O-N 2.89Å; I59-G62 VanDerWaalsContact O-N 3.08Å
60R92.5Very high93.6Very high205 Ų20566.6 Ų66.677%0.77436%0.364SS*.Hα-helixtrans-60.8-25176.9-71.2172.1-179-175.70.3113.4R56 F58R56-R60 WeakPolarHBondContact O-CG 3.43Å; R56-R60 PolarHBondContact O-N 2.98Å; R56-R60 VanDerWaalsContact O-N 3.09Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 3.14Å
61D91.3Very high93.7Very high41 Ų4166.1 Ų66.122%0.21936%0.363CS..THydrogen-bonded Turntrans-99.52.3-179.2-79.5-15.2000113.3R20 K21 S57 F58 I59 L63R20-D61 IonicContact CZ-OD2 2.62Å; R20-D61 VanDerWaalsContact NH2-CB 3.28Å; R20-D61 IonicContact NH2-OD1 3.9Å; R20-D61 IonicContact NH2-OD2 2.73Å; R20-D61 PolarHBondContact NH2-OD2 3.29Å; K21-D61 WeakPolarHBondContact CE-OD1 3.49Å; K21-D61 IonicContact NZ-OD1 3.77Å; K21-D61 PolarHBondContact NZ-OD1 2.87Å; S57-D61 WeakPolarHBondContact O-CB 3.33Å; S57-D61 PolarHBondContact O-N 2.69Å; F58-D61 CarbonylContact O-C 3.46Å; F58-D61 WeakPolarHBondContact O-CA 3.32Å; F58-D61 PolarHBondContact O-N 3.47Å; I59-D61 PolarHBondContact O-N 2.75Å; I59-D61 VanDerWaalsContact O-N 3.17Å; D61-L63 HydrophobicContact CB-CD1 4.08Å; D61-L63 HydrophobicContact CB-CG 3.95Å; D61-L63 PolarHBondContact O-N 3.02Å
62G94.4Very high93.8Very high67 Ų6770 Ų7069%0.69138%0.38SS*.THydrogen-bonded Turntrans63.428.2-17700000113.6F58 I59F58-G62 PolarHBondContact O-N 2.75Å; I59-G62 PolarHBondContact O-N 2.89Å; I59-G62 VanDerWaalsContact O-N 3.08Å
63L94.9Very high94Very high30 Ų3070.4 Ų70.416%0.15738%0.382CS..  trans-100.1132-177.2-62180000111.4F58 D61 W106 L110F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CG-CB 4.48Å; F58-L63 PolarHBondContact O-N 2.92Å; D61-L63 HydrophobicContact CB-CD1 4.08Å; D61-L63 HydrophobicContact CB-CG 3.95Å; D61-L63 PolarHBondContact O-N 3.02Å; L63-W106 HydrophobicContact CB-CH2 4.25Å; L63-L110 HydrophobicContact CD1-CD1 3.9Å; L63-L110 HydrophobicContact CD2-CD1 3.8Å; L63-L110 HydrophobicContact CD2-CD2 4.45Å; L63-L110 HydrophobicContact CG-CD1 4.44Å
64T94Very high94.3Very high123 Ų12369.1 Ų69.176%0.75537%0.373SS*.  trans-113.6131.3174.9-58.10000109.5W106T64-W106 WeakPolarHBondContact O-CZ2 3.46Å
65L94.5Very high94.6Very high27 Ų2769.4 Ų69.414%0.14137%0.372CS..  trans-69.5128.6178-77.2167.6000110.6L50 F58 V69 I96 F103 W106L50-L65 HydrophobicContact CD2-CD1 3.79Å; F58-L65 HydrophobicContact CD2-CD1 4.49Å; F58-L65 HydrophobicContact CD2-CD2 4.45Å; F58-L65 HydrophobicContact CD2-CG 4.22Å; F58-L65 HydrophobicContact CE2-CD1 4.35Å; F58-L65 HydrophobicContact CE2-CD2 4Å; F58-L65 HydrophobicContact CE2-CG 4.19Å; L65-V69 HydrophobicContact CD2-CG1 4.07Å; L65-I96 HydrophobicContact CD1-CD1 3.9Å; L65-I96 HydrophobicContact CD1-CG2 4.18Å; L65-F103 HydrophobicContact CD2-CD2 3.96Å; L65-F103 HydrophobicContact CD2-CE2 4.09Å; L65-W106 HydrophobicContact CD2-CE3 3.94Å; L65-W106 HydrophobicContact CD2-CH2 3.81Å; L65-W106 HydrophobicContact CD2-CZ3 3.44Å; L65-W106 VanDerWaalsContact CD2-CZ3 3.44Å; L65-W106 HydrophobicContact CG-CH2 4.4Å; L65-W106 HydrophobicContact CG-CZ3 4.46Å
66P96.5Very high94.7Very high38 Ų3872.8 Ų72.825%0.24739%0.386CS..  trans-77156.3173.735.9-38.6000110.8D68 V69 W106P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 WeakPolarHBondContact CB-OD1 3.2Å; P66-D68 WeakPolarHBondContact CG-OD1 3.4Å; P66-D68 PolarHBondContact O-N 2.83Å; P66-V69 HydrophobicContact CG-CB 4.15Å; P66-V69 HydrophobicContact CG-CG2 3.66Å; P66-V69 PolarHBondContact O-N 2.89Å; P66-W106 VanDerWaalsContact CD-CE2 3.42Å; P66-W106 HydrophobicContact CG-CD2 4.23Å; P66-W106 HydrophobicContact CG-CG 3.95Å
67V95.9Very high94.8Very high126 Ų12668.8 Ų68.876%0.76438%0.378SS*.G310 helixtrans-65.1-33.2-174.4176.60000112.3V69 I70V67-V69 PolarHBondContact O-N 3.03Å; V67-I70 WeakPolarHBondContact O-CB 3.32Å; V67-I70 PolarHBondContact O-N 3.42Å
68D94.9Very high95.1Very high126 Ų12666.9 Ų66.967%0.67436%0.364SS*.G310 helixtrans-66.6-17.2178.664.8-24.1000113.9P66P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 WeakPolarHBondContact CB-OD1 3.2Å; P66-D68 WeakPolarHBondContact CG-OD1 3.4Å; P66-D68 PolarHBondContact O-N 2.83Å
69V96.3Very high95.4Very high1 Ų167.9 Ų67.91%0.00637%0.368CS..G310 helixtrans-86.7-24.5171.51720000111.9L65 P66 V67 I98 N99 A102 F103 W106L65-V69 HydrophobicContact CD2-CG1 4.07Å; P66-V69 HydrophobicContact CG-CB 4.15Å; P66-V69 HydrophobicContact CG-CG2 3.66Å; P66-V69 PolarHBondContact O-N 2.89Å; V67-V69 PolarHBondContact O-N 3.03Å; V69-I98 HydrophobicContact CG1-CB 4.12Å; V69-I98 HydrophobicContact CG1-CG2 4.05Å; V69-I98 CarbonylContact O-C 3.07Å; V69-I98 VanDerWaalsContact O-CA 3.23Å; V69-I98 WeakPolarHBondContact O-CA 3.05Å; V69-I98 WeakPolarHBondContact O-CB 3.44Å; V69-N99 PolarHBondContact O-N 2.97Å; V69-A102 HydrophobicContact CG2-CB 4.31Å; V69-F103 HydrophobicContact CG1-CB 3.61Å; V69-F103 HydrophobicContact CG1-CD2 3.99Å; V69-F103 HydrophobicContact CG1-CG 4.3Å; V69-W106 HydrophobicContact CG2-CB 3.68Å; V69-W106 HydrophobicContact CG2-CG 4.06Å
70I97.5Very high95.7Very high64 Ų6463.2 Ų63.233%0.32835%0.346SS..BIsolated β-bridgetrans-80.1131.1-176-61.6176.1000109.3V67 Q74V67-I70 WeakPolarHBondContact O-CB 3.32Å; V67-I70 PolarHBondContact O-N 3.42Å; I70-Q74 HydrophobicContact CG2-CG 4.49Å; I70-Q74 VanDerWaalsContact CG2-NE2 3.25Å
71A96.9Very high96Very high5 Ų553.4 Ų53.44%0.04131%0.309CS..  trans-95.9162.8175.900000111.3Q74 N97 K208 D209A71-Q74 PolarHBondContact O-NE2 3.47Å; A71-N97 PolarHBondContact N-O 3.1Å; A71-K208 HydrophobicContact CB-CD 4.04Å; A71-K208 HydrophobicContact CB-CG 3.63Å; A71-D209 WeakPolarHBondContact CB-OD2 3.41Å
72N96.2Very high96.4Very high113 Ų11354.5 Ų54.560%0.60432%0.315SS*.SBendtrans-108140.8175.5-179.962.8000110.8K208 D209N72-K208 CarbonylContact O-C 3.46Å; N72-K208 WeakPolarHBondContact O-CA 3.44Å; N72-D209 PolarHBondContact N-OD1 2.94Å; N72-D209 PolarHBondContact O-N 2.99Å
73P96.9Very high96.5Very high28 Ų2852.4 Ų52.418%0.18229%0.289CS..  cis-83.6174.3-7.835.6-36.3000113.1I75 N97 P188 Y190P73-I75 HydrophobicContact CB-CG1 4.25Å; P73-I75 HydrophobicContact CG-CD1 3.8Å; P73-I75 HydrophobicContact CG-CG1 3.79Å; P73-N97 PolarHBondContact O-ND2 3.03Å; P73-P188 HydrophobicContact CG-CB 3.7Å; P73-P188 HydrophobicContact CG-CG 4.26Å; P73-Y190 PolarHBondContact O-OH 3.04Å
74Q97.2Very high96.6Very high63 Ų6355.5 Ų55.529%0.29432%0.318SS..  trans-100.7120.5163.4-60.6-59.5-4800108.8I70 A71 F76 N97I70-Q74 HydrophobicContact CG2-CG 4.49Å; I70-Q74 VanDerWaalsContact CG2-NE2 3.25Å; A71-Q74 PolarHBondContact O-NE2 3.47Å; Q74-F76 HydrophobicContact CB-CE1 4.49Å; Q74-F76 HydrophobicContact CB-CZ 4.21Å; Q74-N97 PolarHBondContact NE2-O 2.87Å
75I96.4Very high96.8Very high26 Ų2652.1 Ų52.113%0.13330%0.303CS..  trans-123.1126.5-175.5-47.4179.6000108.3P73 S77 P188 F189 Y190P73-I75 HydrophobicContact CB-CG1 4.25Å; P73-I75 HydrophobicContact CG-CD1 3.8Å; P73-I75 HydrophobicContact CG-CG1 3.79Å; I75-S77 WeakPolarHBondContact CG2-O 3.26Å; I75-P188 VanDerWaalsContact CD1-C 3.49Å; I75-P188 HydrophobicContact CD1-CB 3.91Å; I75-P188 WeakPolarHBondContact CD1-O 3.47Å; I75-F189 VanDerWaalsContact CD1-CA 3.45Å; I75-Y190 HydrophobicContact CB-CD2 3.96Å; I75-Y190 HydrophobicContact CB-CE1 4.15Å; I75-Y190 HydrophobicContact CB-CE2 3.57Å; I75-Y190 HydrophobicContact CB-CG 4.41Å; I75-Y190 HydrophobicContact CD1-CD1 3.94Å; I75-Y190 HydrophobicContact CD1-CE1 3.62Å; I75-Y190 HydrophobicContact CG1-CE1 3.91Å; I75-Y190 HydrophobicContact CG1-CE2 4.19Å; I75-Y190 PolarHBondContact N-OH 3.09Å; I75-Y190 WeakPolarHBondContact O-CE2 3.38Å
76F95.2Very high96.9Very high115 Ų11555 Ų5550%0.50433%0.326SS..  trans-101.115.3-176.9-51.8-57.7000113.4Q74 Q92 R93Q74-F76 HydrophobicContact CB-CE1 4.49Å; Q74-F76 HydrophobicContact CB-CZ 4.21Å; F76-Q92 WeakPolarHBondContact O-CA 3.43Å; F76-Q92 VanDerWaalsContact O-CG 3.31Å; F76-Q92 WeakPolarHBondContact O-CG 3.17Å; F76-R93 CarbonylContact C-O 3.59Å; F76-R93 WeakPolarHBondContact CA-O 3.33Å; F76-R93 PolarHBondContact O-N 2.85Å
77S95.8Very high97Very high45 Ų4557.6 Ų57.632%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-130.3137.8179.2-179.10000109.2I75 Y91I75-S77 WeakPolarHBondContact CG2-O 3.26Å; S77-Y91 WeakPolarHBondContact CA-O 3.4Å
78V97.4Very high97.1Very high5 Ų554.5 Ų54.53%0.0332%0.318CS..EExtended strand (participates in β ladder)trans-117.8123.9176179.50000108.5T80 N90 Y91 R93 Y95 C192V78-T80 PolarHBondContact O-N 2.74Å; V78-N90 WeakPolarHBondContact O-CA 3.46Å; V78-Y91 HydrophobicContact CB-CD1 3.99Å; V78-Y91 HydrophobicContact CB-CE1 3.45Å; V78-Y91 VanDerWaalsContact CB-CE1 3.45Å; V78-Y91 HydrophobicContact CB-CE2 4.37Å; V78-Y91 HydrophobicContact CG1-CD1 4.38Å; V78-Y91 HydrophobicContact CG1-CE1 3.52Å; V78-Y91 HydrophobicContact CG2-CE1 4.32Å; V78-Y91 HydrophobicContact CG2-CE2 4.49Å; V78-Y91 PolarHBondContact N-O 3.19Å; V78-Y91 PolarHBondContact O-N 3.16Å; V78-R93 HydrophobicContact CG2-CB 4.16Å; V78-Y95 HydrophobicContact CG2-CD2 4.02Å; V78-Y95 HydrophobicContact CG2-CE2 3.88Å; V78-C192 HydrophobicContact CG1-CB 4.11Å
79K97.8Very high97.2Very high44 Ų4457.4 Ų57.419%0.19132%0.32CS..EExtended strand (participates in β ladder)trans-75109.7172-177.1-173.1-66.9-147.70109.8V81 T88 N90 F189 Y190 S191 C192 F239K79-V81 HydrophobicContact CD-CG2 4.15Å; K79-V81 HydrophobicContact CG-CG2 4.15Å; K79-T88 HydrophobicContact CD-CG2 3.89Å; K79-T88 HydrophobicContact CG-CG2 3.56Å; K79-N90 VanDerWaalsContact CA-OD1 3.25Å; K79-N90 WeakPolarHBondContact CA-OD1 3.4Å; K79-F189 HydrophobicContact CB-CD2 4.24Å; K79-F189 HydrophobicContact CD-CD2 4.26Å; K79-F189 HydrophobicContact CD-CE2 4.22Å; K79-Y190 WeakPolarHBondContact CB-O 3.29Å; K79-Y190 PolarHBondContact N-O 2.75Å; K79-S191 CarbonylContact O-C 3.46Å; K79-S191 WeakPolarHBondContact O-CA 3.17Å; K79-S191 WeakPolarHBondContact O-CB 3.49Å; K79-C192 PolarHBondContact O-N 3Å; K79-F239 HydrophobicContact CD-CE2 4.43Å
80T98.2Very high97.3Very high35 Ų3562.5 Ų62.522%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-90.9123.8171.6-60.10000110V78 T88 R89 Y91 C192 F194V78-T80 PolarHBondContact O-N 2.74Å; T80-T88 VanDerWaalsContact O-CA 3.31Å; T80-T88 WeakPolarHBondContact O-CA 3.41Å; T80-R89 WeakPolarHBondContact CA-O 3.34Å; T80-R89 WeakPolarHBondContact CB-O 3.29Å; T80-R89 PolarHBondContact N-O 3.33Å; T80-R89 PolarHBondContact O-N 2.95Å; T80-Y91 VanDerWaalsContact OG1-CD1 3.29Å; T80-Y91 WeakPolarHBondContact OG1-CD1 3.47Å; T80-Y91 VanDerWaalsContact OG1-CE1 3.29Å; T80-Y91 WeakPolarHBondContact OG1-CE1 3.46Å; T80-C192 CarbonylContact C-O 3.58Å; T80-C192 VanDerWaalsContact CA-O 3.29Å; T80-C192 WeakPolarHBondContact CA-O 3.16Å; T80-F194 HydrophobicContact CG2-CD2 3.87Å; T80-F194 HydrophobicContact CG2-CE2 3.7Å
81V98.5Very high97.2Very high0 Ų063.5 Ų63.50%035%0.347CS..EExtended strand (participates in β ladder)trans-113121.7176.5178.20000108.8K79 V83 C192 I193 F194 F237 F239K79-V81 HydrophobicContact CD-CG2 4.15Å; K79-V81 HydrophobicContact CG-CG2 4.15Å; V81-V83 HydrophobicContact CG1-CG2 4.09Å; V81-C192 PolarHBondContact N-O 3.5Å; V81-I193 HydrophobicContact CB-CG1 4.2Å; V81-I193 HydrophobicContact CB-CG2 4.38Å; V81-I193 HydrophobicContact CG1-CG2 4.46Å; V81-I193 HydrophobicContact CG2-CG1 4.47Å; V81-F194 PolarHBondContact O-N 3.4Å; V81-F237 HydrophobicContact CG1-CB 4.47Å; V81-F237 HydrophobicContact CG1-CD1 3.47Å; V81-F237 VanDerWaalsContact CG1-CD1 3.47Å; V81-F237 HydrophobicContact CG1-CD2 4.09Å; V81-F237 HydrophobicContact CG1-CE1 3.59Å; V81-F237 HydrophobicContact CG1-CE2 4.21Å; V81-F237 HydrophobicContact CG1-CG 3.73Å; V81-F237 HydrophobicContact CG1-CZ 3.98Å; V81-F239 HydrophobicContact CG2-CE2 4.21Å; V81-F239 HydrophobicContact CG2-CZ 4.37Å
82D98.2Very high97.2Very high63 Ų6370.8 Ų70.834%0.33738%0.381SS..EExtended strand (participates in β ladder)trans-101111164.3-173.8-38.7000108.1A84 A85 S86 L87D82-A84 PolarHBondContact OD1-N 2.54Å; D82-A85 HydrophobicContact CB-CB 4.21Å; D82-A85 PolarHBondContact OD1-N 2.97Å; D82-S86 WeakPolarHBondContact O-CA 3.39Å; D82-S86 PolarHBondContact O-N 2.8Å; D82-L87 HydrophobicContact CB-CB 4.41Å; D82-L87 PolarHBondContact N-O 3.49Å; D82-L87 PolarHBondContact O-N 3.4Å
83V98.4Very high97.1Very high24 Ų2469.9 Ų69.915%0.14537%0.369CS..THydrogen-bonded Turntrans-71.9-36.8-175.1179.50000111.8V81 S86 I193 F194 D195 K233 M234 F237V81-V83 HydrophobicContact CG1-CG2 4.09Å; V83-S86 PolarHBondContact O-N 3.4Å; V83-I193 HydrophobicContact CG2-CG2 3.92Å; V83-F194 WeakPolarHBondContact CG2-O 3.26Å; V83-F194 PolarHBondContact N-O 2.95Å; V83-D195 HydrophobicContact CB-CB 3.83Å; V83-D195 HydrophobicContact CG1-CB 4.35Å; V83-D195 WeakPolarHBondContact CG1-OD2 3.18Å; V83-D195 HydrophobicContact CG2-CB 3.81Å; V83-K233 HydrophobicContact CG1-CD 4.14Å; V83-M234 HydrophobicContact CG2-CE 3.49Å; V83-M234 VanDerWaalsContact CG2-CE 3.49Å; V83-F237 HydrophobicContact CB-CE2 4.42Å; V83-F237 HydrophobicContact CB-CZ 4.44Å; V83-F237 HydrophobicContact CG1-CE2 4.14Å; V83-F237 HydrophobicContact CG1-CZ 4.42Å; V83-F237 HydrophobicContact CG2-CE2 4.13Å; V83-F237 HydrophobicContact CG2-CZ 4.39Å
84A96.8Very high97Very high94 Ų9471.3 Ų71.378%0.77738%0.379SS*.THydrogen-bonded Turntrans-72.7-39.2-176.800000111.4D82 S86D82-A84 PolarHBondContact OD1-N 2.54Å; A84-S86 VanDerWaalsContact C-N 3.33Å
85A97.3Very high96.9Very high52 Ų5270.2 Ų70.243%0.4337%0.373SS..THydrogen-bonded Turntrans-83.9-7.7176.800000113.4D82 L87D82-A85 HydrophobicContact CB-CB 4.21Å; D82-A85 PolarHBondContact OD1-N 2.97Å; A85-L87 HydrophobicContact CB-CB 4.32Å; A85-L87 HydrophobicContact CB-CD1 3.8Å; A85-L87 HydrophobicContact CB-CG 3.81Å; A85-L87 PolarHBondContact O-N 2.85Å
86S96.9Very high96.9Very high89 Ų8971 Ų7162%0.62238%0.377SS*.THydrogen-bonded Turntrans53.237.5-171.5-168.10000112.9D82 V83 A84D82-S86 WeakPolarHBondContact O-CA 3.39Å; D82-S86 PolarHBondContact O-N 2.8Å; V83-S86 PolarHBondContact O-N 3.4Å; A84-S86 VanDerWaalsContact C-N 3.33Å
87L97.8Very high97Very high92 Ų9265.5 Ų65.548%0.48235%0.353SS..EExtended strand (participates in β ladder)trans-106143.1-177.7-67.8176.5000111.2D82 A85D82-L87 HydrophobicContact CB-CB 4.41Å; D82-L87 PolarHBondContact N-O 3.49Å; D82-L87 PolarHBondContact O-N 3.4Å; A85-L87 HydrophobicContact CB-CB 4.32Å; A85-L87 HydrophobicContact CB-CD1 3.8Å; A85-L87 HydrophobicContact CB-CG 3.81Å; A85-L87 PolarHBondContact O-N 2.85Å
88T98.1Very high97Very high61 Ų6163.6 Ų63.637%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-128.6127.7168.9-63.40000109.6K79 T80K79-T88 HydrophobicContact CD-CG2 3.89Å; K79-T88 HydrophobicContact CG-CG2 3.56Å; T80-T88 VanDerWaalsContact O-CA 3.31Å; T80-T88 WeakPolarHBondContact O-CA 3.41Å
89R98Very high96.9Very high187 Ų18766.5 Ų66.571%0.70635%0.354SS*.EExtended strand (participates in β ladder)trans-135.5150.1175.5-66.7-64-178.6-172.1-1.3109.5T80T80-R89 WeakPolarHBondContact CA-O 3.34Å; T80-R89 WeakPolarHBondContact CB-O 3.29Å; T80-R89 PolarHBondContact N-O 3.33Å; T80-R89 PolarHBondContact O-N 2.95Å
90N97.3Very high96.8Very high108 Ų10866.2 Ų66.258%0.57835%0.352SS*.EExtended strand (participates in β ladder)trans-105.1141.9173-67-29.2000109.3V78 K79V78-N90 WeakPolarHBondContact O-CA 3.46Å; K79-N90 VanDerWaalsContact CA-OD1 3.25Å; K79-N90 WeakPolarHBondContact CA-OD1 3.4Å
91Y96.1Very high96.7Very high84 Ų8465.5 Ų65.533%0.32935%0.346SS..EExtended strand (participates in β ladder)trans-126.6149.5166.774-82000110.3S77 V78 T80 R93S77-Y91 WeakPolarHBondContact CA-O 3.4Å; V78-Y91 HydrophobicContact CB-CD1 3.99Å; V78-Y91 HydrophobicContact CB-CE1 3.45Å; V78-Y91 VanDerWaalsContact CB-CE1 3.45Å; V78-Y91 HydrophobicContact CB-CE2 4.37Å; V78-Y91 HydrophobicContact CG1-CD1 4.38Å; V78-Y91 HydrophobicContact CG1-CE1 3.52Å; V78-Y91 HydrophobicContact CG2-CE1 4.32Å; V78-Y91 HydrophobicContact CG2-CE2 4.49Å; V78-Y91 PolarHBondContact N-O 3.19Å; V78-Y91 PolarHBondContact O-N 3.16Å; T80-Y91 VanDerWaalsContact OG1-CD1 3.29Å; T80-Y91 WeakPolarHBondContact OG1-CD1 3.47Å; T80-Y91 VanDerWaalsContact OG1-CE1 3.29Å; T80-Y91 WeakPolarHBondContact OG1-CE1 3.46Å; Y91-R93 HydrophobicContact CD2-CB 4.14Å; Y91-R93 HydrophobicContact CE2-CB 3.66Å; Y91-R93 HydrophobicContact CE2-CG 4.1Å
92Q96.6Very high96.6Very high159 Ų15966.8 Ų66.874%0.74336%0.356SS*.EExtended strand (participates in β ladder)trans-77.4131.2178.5-167.7-179.617.700110.3F76F76-Q92 WeakPolarHBondContact O-CA 3.43Å; F76-Q92 VanDerWaalsContact O-CG 3.31Å; F76-Q92 WeakPolarHBondContact O-CG 3.17Å
93R94.7Very high96.5Very high94 Ų9464.2 Ų64.236%0.35534%0.342SS..  trans-153.8126.1171.7-16166.2176.1-174.82.3111.1F76 V78 Y91 Y95F76-R93 CarbonylContact C-O 3.59Å; F76-R93 WeakPolarHBondContact CA-O 3.33Å; F76-R93 PolarHBondContact O-N 2.85Å; V78-R93 HydrophobicContact CG2-CB 4.16Å; Y91-R93 HydrophobicContact CD2-CB 4.14Å; Y91-R93 HydrophobicContact CE2-CB 3.66Å; Y91-R93 HydrophobicContact CE2-CG 4.1Å; R93-Y95 VanDerWaalsContact C-N 3.31Å; R93-Y95 HydrophobicContact CB-CD2 4.01Å; R93-Y95 HydrophobicContact CB-CE2 3.8Å; R93-Y95 HydrophobicContact CG-CD2 3.79Å; R93-Y95 HydrophobicContact CG-CE1 4.34Å; R93-Y95 HydrophobicContact CG-CE2 3.34Å; R93-Y95 HydrophobicContact CG-CG 4.45Å; R93-Y95 PolarHBondContact O-N 3.42Å
94S93.2Very high96.4Very high57 Ų5763.2 Ų63.240%0.39934%0.336SS..  trans-8566.2-176.8-47.60000112.6Q55Q55-S94 PolarHBondContact NE2-O 2.98Å
95Y95.5Very high96.4Very high41 Ų4159.8 Ų59.816%0.16131%0.305CS..PPolyproline II helixtrans-74.9139.3169.2-68.3-67.7000110.6L49 L50 A51 V78 R93L49-Y95 HydrophobicContact CB-CD1 3.91Å; L49-Y95 HydrophobicContact CB-CG 3.97Å; L49-Y95 HydrophobicContact CD1-CD2 4.27Å; L49-Y95 HydrophobicContact CD1-CG 4.3Å; L50-Y95 WeakPolarHBondContact O-CA 3.39Å; A51-Y95 HydrophobicContact CB-CD1 4.25Å; A51-Y95 HydrophobicContact CB-CE1 3.84Å; V78-Y95 HydrophobicContact CG2-CD2 4.02Å; V78-Y95 HydrophobicContact CG2-CE2 3.88Å; R93-Y95 VanDerWaalsContact C-N 3.31Å; R93-Y95 HydrophobicContact CB-CD2 4.01Å; R93-Y95 HydrophobicContact CB-CE2 3.8Å; R93-Y95 HydrophobicContact CG-CD2 3.79Å; R93-Y95 HydrophobicContact CG-CE1 4.34Å; R93-Y95 HydrophobicContact CG-CE2 3.34Å; R93-Y95 HydrophobicContact CG-CG 4.45Å; R93-Y95 PolarHBondContact O-N 3.42Å
96I96.3Very high96.4Very high42 Ų4258.9 Ų58.922%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-91.8120.5164.8-57.7173.3000107.8L50 Q55 L65 I98L50-I96 HydrophobicContact CB-CB 4.22Å; L50-I96 PolarHBondContact N-O 3.16Å; L50-I96 PolarHBondContact O-N 2.87Å; L50-I96 VanDerWaalsContact O-N 3.13Å; Q55-I96 HydrophobicContact CG-CD1 3.93Å; Q55-I96 HydrophobicContact CG-CG1 4.46Å; L65-I96 HydrophobicContact CD1-CD1 3.9Å; L65-I96 HydrophobicContact CD1-CG2 4.18Å; I96-I98 HydrophobicContact CG2-CG2 3.92Å
97N97.2Very high96.4Very high0 Ų054.9 Ų54.90%026%0.262CS..EExtended strand (participates in β ladder)trans-80.9122.1175.9-171.69.1000109.9G48 L49 A71 P73 Q74 Y190 S207 K208G48-N97 PolarHBondContact O-OD1 3.46Å; L49-N97 HydrophobicContact CD2-CB 3.91Å; A71-N97 PolarHBondContact N-O 3.1Å; P73-N97 PolarHBondContact O-ND2 3.03Å; Q74-N97 PolarHBondContact NE2-O 2.87Å; N97-Y190 WeakPolarHBondContact CB-OH 3.07Å; N97-Y190 PolarHBondContact ND2-OH 3.39Å; N97-Y190 VanDerWaalsContact ND2-OH 3.15Å; N97-S207 PolarHBondContact ND2-O 3.17Å; N97-S207 VanDerWaalsContact ND2-O 3.09Å; N97-K208 WeakPolarHBondContact OD1-CE 3.43Å; N97-K208 PolarHBondContact OD1-NZ 3.43Å
98I97.1Very high96.4Very high5 Ų551.1 Ų51.13%0.02624%0.241CC..BIsolated β-bridgetrans-129.1153-173.556.7156.6000111G48 V69 I96 R100 F103 K208G48-I98 VanDerWaalsContact O-CG1 3.23Å; G48-I98 WeakPolarHBondContact O-CG1 3.16Å; G48-I98 PolarHBondContact O-N 3.38Å; V69-I98 HydrophobicContact CG1-CB 4.12Å; V69-I98 HydrophobicContact CG1-CG2 4.05Å; V69-I98 CarbonylContact O-C 3.07Å; V69-I98 VanDerWaalsContact O-CA 3.23Å; V69-I98 WeakPolarHBondContact O-CA 3.05Å; V69-I98 WeakPolarHBondContact O-CB 3.44Å; I96-I98 HydrophobicContact CG2-CG2 3.92Å; I98-R100 PolarHBondContact O-N 3.3Å; I98-F103 HydrophobicContact CD1-CB 3.55Å; I98-F103 HydrophobicContact CD1-CD1 3.79Å; I98-F103 HydrophobicContact CD1-CD2 3.86Å; I98-F103 HydrophobicContact CD1-CE1 4.48Å; I98-F103 HydrophobicContact CD1-CG 3.43Å; I98-F103 VanDerWaalsContact CD1-CG 3.43Å; I98-K208 PolarHBondContact O-NZ 3.03Å
99N95.7Very high96.3Very high65 Ų6552.5 Ų52.535%0.34825%0.254SS..  trans-75116.4160.4-178.1-41.9000108.6V69 H101 A102 F103V69-N99 PolarHBondContact O-N 2.97Å; N99-H101 VanDerWaalsContact C-N 3.31Å; N99-H101 PolarHBondContact O-N 3.48Å; N99-H101 PolarHBondContact OD1-N 2.99Å; N99-A102 HydrophobicContact CB-CB 3.87Å; N99-A102 PolarHBondContact O-N 3.13Å; N99-A102 PolarHBondContact OD1-N 3.15Å; N99-A102 VanDerWaalsContact OD1-N 3.1Å; N99-F103 VanDerWaalsContact O-CB 3.23Å; N99-F103 WeakPolarHBondContact O-CB 3.32Å; N99-F103 PolarHBondContact O-N 2.99Å
100R95Very high96.3Very high38 Ų3846 Ų4614%0.14323%0.232CC..Hα-helixtrans-61.6-38.3-175.2172.558.1-161.5-98.91.1112.9K44 C46 I98 D104K44-R100 WeakPolarHBondContact O-CG 3.46Å; C46-R100 HydrophobicContact CB-CB 4.17Å; C46-R100 HydrophobicContact CB-CG 3.8Å; I98-R100 PolarHBondContact O-N 3.3Å; R100-D104 IonicContact CZ-OD1 3.84Å; R100-D104 IonicContact CZ-OD2 3.38Å; R100-D104 IonicContact NE-OD1 3.77Å; R100-D104 PolarHBondContact NE-OD1 3.31Å; R100-D104 IonicContact NE-OD2 2.79Å; R100-D104 PolarHBondContact NE-OD2 3.31Å; R100-D104 VanDerWaalsContact NE-OD2 3.16Å; R100-D104 IonicContact NH2-OD1 3.03Å; R100-D104 PolarHBondContact NH2-OD1 3.16Å; R100-D104 VanDerWaalsContact NH2-OD1 3.15Å; R100-D104 IonicContact NH2-OD2 2.66Å; R100-D104 PolarHBondContact NH2-OD2 3.14Å; R100-D104 PolarHBondContact O-N 3Å
101H95.3Very high96.3Very high21 Ų2141.6 Ų41.610%0.09721%0.209CC..Hα-helixtrans-73.3-47.3-178.2-172.367000110.5G38 N99 F103 D104 L105G38-H101 PolarHBondContact O-CD2 2.81Å; G38-H101 PolarHBondContact O-NE2 3.42Å; N99-H101 VanDerWaalsContact C-N 3.31Å; N99-H101 PolarHBondContact O-N 3.48Å; N99-H101 PolarHBondContact OD1-N 2.99Å; H101-F103 VanDerWaalsContact C-N 3.28Å; H101-F103 PolarHBondContact O-N 3.23Å; H101-D104 PolarHBondContact O-N 2.8Å; H101-D104 VanDerWaalsContact O-N 3.15Å; H101-L105 WeakPolarHBondContact O-CG 3.42Å; H101-L105 PolarHBondContact O-N 3.2Å
102A96.1Very high96.4Very high26 Ų2640.3 Ų40.322%0.21521%0.211CC..Hα-helixtrans-57.4-43.2174.500000111.6V69 N99 D104 L105 W106V69-A102 HydrophobicContact CG2-CB 4.31Å; N99-A102 HydrophobicContact CB-CB 3.87Å; N99-A102 PolarHBondContact O-N 3.13Å; N99-A102 PolarHBondContact OD1-N 3.15Å; N99-A102 VanDerWaalsContact OD1-N 3.1Å; A102-D104 PolarHBondContact O-N 2.76Å; A102-L105 PolarHBondContact O-N 3.47Å; A102-W106 WeakPolarHBondContact O-CB 3.43Å; A102-W106 PolarHBondContact O-N 3.02Å
103F96.6Very high96.5Very high9 Ų937.9 Ų37.94%0.03922%0.218CC..Hα-helixtrans-59.3-46175.2172.6-104.7000113P13 F58 L65 V69 I98 N99 H101 L105 W106 M107P13-F103 HydrophobicContact CB-CE1 4.28Å; P13-F103 HydrophobicContact CG-CE1 3.73Å; F58-F103 HydrophobicContact CE1-CZ 4.41Å; F58-F103 AromaticContact CE2-CE2 3.74Å; F58-F103 HydrophobicContact CE2-CE2 3.74Å; F58-F103 HydrophobicContact CE2-CZ 4.25Å; F58-F103 AromaticContact CZ-CE2 3.45Å; F58-F103 HydrophobicContact CZ-CE2 3.45Å; F58-F103 VanDerWaalsContact CZ-CE2 3.45Å; F58-F103 AromaticContact CZ-CZ 3.52Å; F58-F103 HydrophobicContact CZ-CZ 3.52Å; L65-F103 HydrophobicContact CD2-CD2 3.96Å; L65-F103 HydrophobicContact CD2-CE2 4.09Å; V69-F103 HydrophobicContact CG1-CB 3.61Å; V69-F103 HydrophobicContact CG1-CD2 3.99Å; V69-F103 HydrophobicContact CG1-CG 4.3Å; I98-F103 HydrophobicContact CD1-CB 3.55Å; I98-F103 HydrophobicContact CD1-CD1 3.79Å; I98-F103 HydrophobicContact CD1-CD2 3.86Å; I98-F103 HydrophobicContact CD1-CE1 4.48Å; I98-F103 HydrophobicContact CD1-CG 3.43Å; I98-F103 VanDerWaalsContact CD1-CG 3.43Å; N99-F103 VanDerWaalsContact O-CB 3.23Å; N99-F103 WeakPolarHBondContact O-CB 3.32Å; N99-F103 PolarHBondContact O-N 2.99Å; H101-F103 VanDerWaalsContact C-N 3.28Å; H101-F103 PolarHBondContact O-N 3.23Å; F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 2.89Å; F103-W106 AromaticContact CD2-CE3 3.89Å; F103-W106 HydrophobicContact CD2-CE3 3.89Å; F103-W106 HydrophobicContact CD2-CZ3 4.1Å; F103-W106 AromaticContact CE2-CE3 3.97Å; F103-W106 HydrophobicContact CE2-CE3 3.97Å; F103-W106 AromaticContact CE2-CZ3 3.77Å; F103-W106 HydrophobicContact CE2-CZ3 3.77Å; F103-W106 PolarHBondContact O-N 3.1Å; F103-M107 HydrophobicContact CD2-CG 4.4Å; F103-M107 HydrophobicContact CE1-CG 4.18Å; F103-M107 HydrophobicContact CE2-CG 3.89Å; F103-M107 HydrophobicContact CE2-SD 4.3Å; F103-M107 HydrophobicContact CZ-CG 3.73Å; F103-M107 HydrophobicContact CZ-SD 4.26Å; F103-M107 WeakPolarHBondContact O-CB 3.4Å; F103-M107 WeakPolarHBondContact O-CG 3.37Å; F103-M107 PolarHBondContact O-N 2.71Å
104D95.9Very high96.6Very high3 Ų336.6 Ų36.62%0.01622%0.223CC..Hα-helixtrans-64.8-37.4178.4-85.214000111.3K34 R100 H101 A102 K108K34-D104 HydrophobicContact CD-CB 3.97Å; R100-D104 IonicContact CZ-OD1 3.84Å; R100-D104 IonicContact CZ-OD2 3.38Å; R100-D104 IonicContact NE-OD1 3.77Å; R100-D104 PolarHBondContact NE-OD1 3.31Å; R100-D104 IonicContact NE-OD2 2.79Å; R100-D104 PolarHBondContact NE-OD2 3.31Å; R100-D104 VanDerWaalsContact NE-OD2 3.16Å; R100-D104 IonicContact NH2-OD1 3.03Å; R100-D104 PolarHBondContact NH2-OD1 3.16Å; R100-D104 VanDerWaalsContact NH2-OD1 3.15Å; R100-D104 IonicContact NH2-OD2 2.66Å; R100-D104 PolarHBondContact NH2-OD2 3.14Å; R100-D104 PolarHBondContact O-N 3Å; H101-D104 PolarHBondContact O-N 2.8Å; H101-D104 VanDerWaalsContact O-N 3.15Å; A102-D104 PolarHBondContact O-N 2.76Å; D104-K108 WeakPolarHBondContact O-CG 3.43Å; D104-K108 PolarHBondContact O-N 2.99Å; D104-K108 VanDerWaalsContact O-N 3.1Å
105L97Very high96.9Very high23 Ų2334.2 Ų34.212%0.1221%0.206CC..Hα-helixtrans-70.4-41.5176.3-66-176000112.6K34 H35 G38 H101 A102 F103 M107 K108 S109K34-L105 HydrophobicContact CB-CD2 4.31Å; H35-L105 VanDerWaalsContact O-CD2 3.22Å; H35-L105 WeakPolarHBondContact O-CD2 3.24Å; G38-L105 VanDerWaalsContact O-CD1 3.24Å; G38-L105 WeakPolarHBondContact O-CD1 3.38Å; H101-L105 WeakPolarHBondContact O-CG 3.42Å; H101-L105 PolarHBondContact O-N 3.2Å; A102-L105 PolarHBondContact O-N 3.47Å; F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 2.89Å; L105-M107 VanDerWaalsContact C-N 3.34Å; L105-M107 PolarHBondContact O-N 3.49Å; L105-K108 HydrophobicContact CD2-CD 4.29Å; L105-K108 WeakPolarHBondContact O-CA 3.3Å; L105-K108 WeakPolarHBondContact O-CB 3.24Å; L105-K108 PolarHBondContact O-N 3.27Å; L105-K108 VanDerWaalsContact O-N 3.11Å; L105-S109 PolarHBondContact O-N 3.18Å
106W97.3Very high97Very high33 Ų3335.1 Ų35.113%0.12521%0.212CC..Hα-helixtrans-59.2-46.1171.9169.467.7000111.2F58 L63 T64 L65 P66 V69 A102 F103 K108 S109 L110F58-W106 HydrophobicContact CE2-CZ3 4.3Å; L63-W106 HydrophobicContact CB-CH2 4.25Å; T64-W106 WeakPolarHBondContact O-CZ2 3.46Å; L65-W106 HydrophobicContact CD2-CE3 3.94Å; L65-W106 HydrophobicContact CD2-CH2 3.81Å; L65-W106 HydrophobicContact CD2-CZ3 3.44Å; L65-W106 VanDerWaalsContact CD2-CZ3 3.44Å; L65-W106 HydrophobicContact CG-CH2 4.4Å; L65-W106 HydrophobicContact CG-CZ3 4.46Å; P66-W106 VanDerWaalsContact CD-CE2 3.42Å; P66-W106 HydrophobicContact CG-CD2 4.23Å; P66-W106 HydrophobicContact CG-CG 3.95Å; V69-W106 HydrophobicContact CG2-CB 3.68Å; V69-W106 HydrophobicContact CG2-CG 4.06Å; A102-W106 WeakPolarHBondContact O-CB 3.43Å; A102-W106 PolarHBondContact O-N 3.02Å; F103-W106 AromaticContact CD2-CE3 3.89Å; F103-W106 HydrophobicContact CD2-CE3 3.89Å; F103-W106 HydrophobicContact CD2-CZ3 4.1Å; F103-W106 AromaticContact CE2-CE3 3.97Å; F103-W106 HydrophobicContact CE2-CE3 3.97Å; F103-W106 AromaticContact CE2-CZ3 3.77Å; F103-W106 HydrophobicContact CE2-CZ3 3.77Å; F103-W106 PolarHBondContact O-N 3.1Å; W106-K108 PolarHBondContact O-N 3.28Å; W106-S109 PolarHBondContact O-N 3.02Å; W106-S109 PolarHBondContact O-OG 2.9Å; W106-L110 HydrophobicContact CD2-CD1 4.27Å; W106-L110 HydrophobicContact CH2-CD1 4.1Å; W106-L110 HydrophobicContact CZ2-CD1 3.75Å; W106-L110 HydrophobicContact CZ3-CD1 4.47Å; W106-L110 WeakPolarHBondContact O-CG 3.41Å; W106-L110 PolarHBondContact O-N 3.19Å
107M97.3Very high97.1Very high5 Ų535 Ų353%0.02521%0.213CC..Hα-helixtrans-59.7-34.2175.3-75.2-66.1-6700112.5S16 A17 F58 F103 L105 L110S16-M107 WeakPolarHBondContact CB-O 3.39Å; A17-M107 HydrophobicContact CB-CE 4.32Å; F58-M107 HydrophobicContact CE1-SD 4.43Å; F103-M107 HydrophobicContact CD2-CG 4.4Å; F103-M107 HydrophobicContact CE1-CG 4.18Å; F103-M107 HydrophobicContact CE2-CG 3.89Å; F103-M107 HydrophobicContact CE2-SD 4.3Å; F103-M107 HydrophobicContact CZ-CG 3.73Å; F103-M107 HydrophobicContact CZ-SD 4.26Å; F103-M107 WeakPolarHBondContact O-CB 3.4Å; F103-M107 WeakPolarHBondContact O-CG 3.37Å; F103-M107 PolarHBondContact O-N 2.71Å; L105-M107 VanDerWaalsContact C-N 3.34Å; L105-M107 PolarHBondContact O-N 3.49Å; M107-L110 HydrophobicContact SD-CD1 4.19Å
108K97.4Very high97.2Very high12 Ų1237.7 Ų37.75%0.05222%0.224CC..Hα-helixtrans-68.5-41.1172.6-76.2173.957.8-1770112.2L11 K34 H35 D104 L105 W106 L110 I111 H119L11-K108 HydrophobicContact CB-CD 4.22Å; L11-K108 HydrophobicContact CB-CG 3.9Å; L11-K108 HydrophobicContact CD1-CG 4.35Å; K34-K108 PolarHBondContact O-NZ 2.89Å; H35-K108 PolarHBondContact O-NZ 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.43Å; D104-K108 PolarHBondContact O-N 2.99Å; D104-K108 VanDerWaalsContact O-N 3.1Å; L105-K108 HydrophobicContact CD2-CD 4.29Å; L105-K108 WeakPolarHBondContact O-CA 3.3Å; L105-K108 WeakPolarHBondContact O-CB 3.24Å; L105-K108 PolarHBondContact O-N 3.27Å; L105-K108 VanDerWaalsContact O-N 3.11Å; W106-K108 PolarHBondContact O-N 3.28Å; K108-L110 PolarHBondContact O-N 3.06Å; K108-I111 WeakPolarHBondContact O-CB 3.08Å; K108-I111 VanDerWaalsContact O-CG1 3.31Å; K108-I111 WeakPolarHBondContact O-CG1 3.45Å; K108-I111 PolarHBondContact O-N 3.23Å; K108-H119 VanDerWaalsContact CE-ND1 3.33Å; K108-H119 WeakPolarHBondContact CE-ND1 3.49Å; K108-H119 PolarHBondContact NZ-ND1 3.45Å; K108-H119 VanDerWaalsContact NZ-ND1 3.1Å
109S97Very high97.1Very high91 Ų9139.9 Ų39.964%0.63623%0.234SC*.Hα-helixtrans-67.1-17.9-179.674.50000113.2L105 W106 I111L105-S109 PolarHBondContact O-N 3.18Å; W106-S109 PolarHBondContact O-N 3.02Å; W106-S109 PolarHBondContact O-OG 2.9Å; S109-I111 VanDerWaalsContact C-N 3.27Å
110L97.6Very high97.1Very high49 Ų4941.5 Ų41.526%0.25724%0.242SC..THydrogen-bonded Turntrans-78-6.6172.5-62.8175.9000113.9R20 L63 W106 M107 K108 P112R20-L110 WeakPolarHBondContact CD-O 3.42Å; R20-L110 WeakPolarHBondContact CG-O 3.39Å; L63-L110 HydrophobicContact CD1-CD1 3.9Å; L63-L110 HydrophobicContact CD2-CD1 3.8Å; L63-L110 HydrophobicContact CD2-CD2 4.45Å; L63-L110 HydrophobicContact CG-CD1 4.44Å; W106-L110 HydrophobicContact CD2-CD1 4.27Å; W106-L110 HydrophobicContact CH2-CD1 4.1Å; W106-L110 HydrophobicContact CZ2-CD1 3.75Å; W106-L110 HydrophobicContact CZ3-CD1 4.47Å; W106-L110 WeakPolarHBondContact O-CG 3.41Å; W106-L110 PolarHBondContact O-N 3.19Å; M107-L110 HydrophobicContact SD-CD1 4.19Å; K108-L110 PolarHBondContact O-N 3.06Å; L110-P112 WeakPolarHBondContact O-CD 3.44Å
111I98.4Very high97.1Very high17 Ų1739.9 Ų39.99%0.08724%0.237CC..SBendtrans-76.6121.3177.6-58.7170000108.3L11 A19 K108 S109 V115 V117L11-I111 HydrophobicContact CD1-CD1 3.93Å; L11-I111 HydrophobicContact CD2-CD1 3.73Å; L11-I111 HydrophobicContact CG-CD1 4.38Å; A19-I111 HydrophobicContact CB-CD1 3.96Å; A19-I111 HydrophobicContact CB-CG1 4.13Å; A19-I111 HydrophobicContact CB-CG2 4.03Å; K108-I111 WeakPolarHBondContact O-CB 3.08Å; K108-I111 VanDerWaalsContact O-CG1 3.31Å; K108-I111 WeakPolarHBondContact O-CG1 3.45Å; K108-I111 PolarHBondContact O-N 3.23Å; S109-I111 VanDerWaalsContact C-N 3.27Å; I111-V115 HydrophobicContact CG2-CB 3.63Å; I111-V115 HydrophobicContact CG2-CG1 3.99Å; I111-V115 HydrophobicContact CG2-CG2 3.79Å; I111-V117 HydrophobicContact CD1-CG2 4.49Å; I111-V117 HydrophobicContact CG2-CG2 4.02Å
112P98.1Very high97.1Very high57 Ų5742.4 Ų42.437%0.3725%0.251SS..  trans-64.4151.8179.1-22.534.7000112.6A23 L110 S114 V115A23-P112 HydrophobicContact CB-CB 3.93Å; A23-P112 HydrophobicContact CB-CG 3.59Å; L110-P112 WeakPolarHBondContact O-CD 3.44Å; P112-S114 PolarHBondContact O-N 3.06Å; P112-V115 PolarHBondContact O-N 2.97Å
113A97.2Very high97.2Very high108 Ų10841.4 Ų41.489%0.89324%0.242SC*.THydrogen-bonded Turntrans-62.4-9.7-178.200000115.2V115A113-V115 PolarHBondContact O-N 3.43Å
114S98Very high97.2Very high66 Ų6648.5 Ų48.546%0.46227%0.269SS..THydrogen-bonded Turntrans-74.2-8.9171.956.30000113.7G24 P112G24-S114 PolarHBondContact N-OG 3.03Å; G24-S114 VanDerWaalsContact N-OG 3.1Å; P112-S114 PolarHBondContact O-N 3.06Å
115V98.7Very high97.3Very high7 Ų754.2 Ų54.24%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-96.3128.2168.31800000108.2A19 A23 V28 A30 I111 P112 A113 V117A19-V115 HydrophobicContact CB-CG1 4.39Å; A23-V115 HydrophobicContact CB-CG2 3.68Å; V28-V115 HydrophobicContact CB-CG1 4Å; V28-V115 HydrophobicContact CB-CG2 4.19Å; V28-V115 HydrophobicContact CG1-CG1 3.85Å; V28-V115 WeakPolarHBondContact O-CG1 3.22Å; A30-V115 HydrophobicContact CB-CG1 4.26Å; I111-V115 HydrophobicContact CG2-CB 3.63Å; I111-V115 HydrophobicContact CG2-CG1 3.99Å; I111-V115 HydrophobicContact CG2-CG2 3.79Å; P112-V115 PolarHBondContact O-N 2.97Å; A113-V115 PolarHBondContact O-N 3.43Å; V115-V117 HydrophobicContact CB-CG2 4.29Å; V115-V117 HydrophobicContact CG1-CG2 3.82Å; V115-V117 PolarHBondContact O-N 3.01Å
116E98.4Very high97.3Very high61 Ų6153.2 Ų53.229%0.28529%0.288SS..EExtended strand (participates in β ladder)trans-78.3109.9173.4-170.6172.2155.800109.5F4 V28 I29 A30 Y118F4-E116 HydrophobicContact CE1-CB 4.28Å; F4-E116 WeakPolarHBondContact CE1-OE2 3.44Å; F4-E116 VanDerWaalsContact CZ-OE2 3.3Å; F4-E116 WeakPolarHBondContact CZ-OE2 3.44Å; V28-E116 PolarHBondContact O-N 2.86Å; I29-E116 CarbonylContact C-O 3.53Å; I29-E116 VanDerWaalsContact CA-O 3.3Å; I29-E116 WeakPolarHBondContact CA-O 3.48Å; I29-E116 HydrophobicContact CG1-CB 4.48Å; A30-E116 PolarHBondContact N-O 3.46Å; E116-Y118 HydrophobicContact CG-CD2 4.36Å; E116-Y118 HydrophobicContact CG-CE2 3.76Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.35Å; E116-Y118 VanDerWaalsContact OE1-CZ 3.24Å; E116-Y118 PolarHBondContact OE1-OH 3.24Å
117V98.4Very high97.3Very high39 Ų3954.5 Ų54.524%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-110.9120.2-175.6-175.40000110.6L11 A30 I111 V115 H119L11-V117 HydrophobicContact CD1-CG1 3.44Å; L11-V117 VanDerWaalsContact CD1-CG1 3.44Å; A30-V117 WeakPolarHBondContact O-CA 3.31Å; I111-V117 HydrophobicContact CD1-CG2 4.49Å; I111-V117 HydrophobicContact CG2-CG2 4.02Å; V115-V117 HydrophobicContact CB-CG2 4.29Å; V115-V117 HydrophobicContact CG1-CG2 3.82Å; V115-V117 PolarHBondContact O-N 3.01Å; V117-H119 WeakPolarHBondContact CG1-CE1 3.06Å
118Y97.9Very high97.2Very high57 Ų5759 Ų5922%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-97120.8169.1-72.4-95.4000110.5I29 A30 L31 D32 E116 S121 F137 A139I29-Y118 HydrophobicContact CD1-CD2 3.91Å; I29-Y118 HydrophobicContact CD1-CE2 3.69Å; I29-Y118 HydrophobicContact CG1-CD2 4.06Å; I29-Y118 HydrophobicContact CG1-CE2 4.18Å; A30-Y118 PolarHBondContact O-N 3.29Å; L31-Y118 HydrophobicContact CD2-CD2 3.79Å; L31-Y118 HydrophobicContact CD2-CG 4Å; D32-Y118 PolarHBondContact N-O 2.78Å; E116-Y118 HydrophobicContact CG-CD2 4.36Å; E116-Y118 HydrophobicContact CG-CE2 3.76Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.35Å; E116-Y118 VanDerWaalsContact OE1-CZ 3.24Å; E116-Y118 PolarHBondContact OE1-OH 3.24Å; Y118-S121 WeakPolarHBondContact CB-OG 3.4Å; Y118-F137 AromaticContact CD1-CE2 3.74Å; Y118-F137 HydrophobicContact CD1-CE2 3.74Å; Y118-F137 HydrophobicContact CD1-CZ 4.35Å; Y118-F137 AromaticContact CD2-CE2 3.98Å; Y118-F137 HydrophobicContact CD2-CE2 3.98Å; Y118-F137 HydrophobicContact CD2-CZ 4.01Å; Y118-F137 AromaticContact CE1-CE2 3.98Å; Y118-F137 HydrophobicContact CE1-CE2 3.98Å; Y118-F137 HydrophobicContact CE1-CZ 4.24Å; Y118-F137 HydrophobicContact CE2-CE2 4.21Å; Y118-F137 AromaticContact CE2-CZ 3.89Å; Y118-F137 HydrophobicContact CE2-CZ 3.89Å; Y118-F137 AromaticContact CG-CE2 3.74Å; Y118-F137 HydrophobicContact CG-CE2 3.74Å; Y118-F137 HydrophobicContact CG-CZ 4.24Å; Y118-A139 HydrophobicContact CD1-CB 3.56Å; Y118-A139 HydrophobicContact CE1-CB 4.03Å
119H95.9Very high97.2Very high50 Ų5063.2 Ų63.223%0.23133%0.33CS..SBendtrans-92.5161.9174.5-54.9-49.5000110.9D32 Q36 K108 V117 S121D32-H119 CarbonylContact O-C 3.43Å; Q36-H119 HydrophobicContact CB-CB 4.34Å; Q36-H119 WeakPolarHBondContact CB-CD2 3.4Å; Q36-H119 WeakPolarHBondContact CG-NE2 3.48Å; K108-H119 VanDerWaalsContact CE-ND1 3.33Å; K108-H119 WeakPolarHBondContact CE-ND1 3.49Å; K108-H119 PolarHBondContact NZ-ND1 3.45Å; K108-H119 VanDerWaalsContact NZ-ND1 3.1Å; V117-H119 WeakPolarHBondContact CG1-CE1 3.06Å; H119-S121 WeakPolarHBondContact O-CB 3.45Å; H119-S121 PolarHBondContact O-N 3.1Å; H119-S121 PolarHBondContact O-OG 3.18Å
120D95.4Very high96.9Very high100 Ų10065.4 Ų65.454%0.53533%0.334SS..SBendtrans4437.7-175.7-165.231.8000113.7D32 K34 H35D32-D120 PolarHBondContact O-N 3.41Å; K34-D120 PolarHBondContact O-N 2.72Å; K34-D120 VanDerWaalsContact O-N 3.13Å; H35-D120 IonicContact CD2-OD1 3.79Å; H35-D120 IonicContact NE2-OD1 3.84Å; H35-D120 IonicContact NE2-OD2 3.84Å
121S96.3Very high96.7Very high4 Ų468.6 Ų68.63%0.02835%0.351CS..  trans-118.1136.1-168-72.90000111.4D32 Y118 H119 R138 A139D32-S121 CarbonylContact C-O 3.42Å; D32-S121 PolarHBondContact O-N 2.79Å; Y118-S121 WeakPolarHBondContact CB-OG 3.4Å; H119-S121 WeakPolarHBondContact O-CB 3.45Å; H119-S121 PolarHBondContact O-N 3.1Å; H119-S121 PolarHBondContact O-OG 3.18Å; S121-R138 VanDerWaalsContact CA-O 3.3Å; S121-R138 WeakPolarHBondContact CA-O 3.41Å; S121-R138 WeakPolarHBondContact CB-O 3.18Å; S121-R138 PolarHBondContact OG-O 3.1Å; S121-A139 WeakPolarHBondContact OG-CB 3.46Å
122L95Very high96.6Very high74 Ų7472.2 Ų72.239%0.38737%0.366SS..EExtended strand (participates in β ladder)trans-117.9111.8-175-179.263000109.8K33 R124 F137 R138K33-L122 HydrophobicContact CD-CD1 3.94Å; K33-L122 HydrophobicContact CG-CD1 4.26Å; L122-R124 PolarHBondContact O-N 3.05Å; L122-F137 CarbonylContact O-C 3.51Å; L122-F137 VanDerWaalsContact O-CA 3.29Å; L122-F137 WeakPolarHBondContact O-CA 3.24Å; L122-R138 PolarHBondContact N-O 3.22Å; L122-R138 VanDerWaalsContact N-O 3.14Å; L122-R138 PolarHBondContact O-N 3.16Å
123C97.2Very high96.6Very high5 Ų570.3 Ų70.33%0.03435%0.352CS..EExtended strand (participates in β ladder)trans-58.1132.5162.7-174.10000109I9 L31 M160I9-C123 HydrophobicContact CD1-CB 4.1Å; I9-C123 HydrophobicContact CG2-CB 3.66Å; L31-C123 HydrophobicContact CD1-CB 4.22Å; C123-M160 VanDerWaalsContact C-SD 3.57Å; C123-M160 HydrophobicContact CB-SD 3.85Å; C123-M160 WeakPolarHBondContact O-CE 3.36Å; C123-M160 VanDerWaalsContact O-SD 3.33Å; C123-M160 PolarHBondContact SG-SD 2.93Å
124R96.6Very high96.6Very high158 Ų15866 Ų6660%0.59631%0.313SS*.EExtended strand (participates in β ladder)trans-112.2-41.7-175.7-65.3-67.3-73.6177-5.4111.7L122 I136L122-R124 PolarHBondContact O-N 3.05Å; R124-I136 HydrophobicContact CB-CG2 4.42Å; R124-I136 PolarHBondContact N-O 3.19Å
125K97.8Very high96.7Very high122 Ų12262.9 Ų62.953%0.5329%0.291SS..EExtended strand (participates in β ladder)trans-147.2142.1-175.7-166.5-178.9179.6-175.10110.2W127 I136K125-W127 HydrophobicContact CD-CE3 4.13Å; K125-W127 HydrophobicContact CD-CZ3 4.08Å; K125-W127 HydrophobicContact CG-CE3 4.05Å; K125-W127 HydrophobicContact CG-CZ3 4.23Å; K125-I136 HydrophobicContact CB-CB 4.17Å; K125-I136 HydrophobicContact CD-CD1 4.47Å; K125-I136 PolarHBondContact N-O 2.89Å; K125-I136 PolarHBondContact O-N 3.15Å
126I97.3Very high96.6Very high3 Ų363.6 Ų63.62%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-132150.9168.959168.6000108.9H134 V135 L151 V161 H164I126-H134 VanDerWaalsContact CA-O 3.24Å; I126-H134 WeakPolarHBondContact CA-O 3.12Å; I126-V135 HydrophobicContact CG2-CB 4.48Å; I126-V135 HydrophobicContact CG2-CG1 4.25Å; I126-V135 HydrophobicContact CG2-CG2 4.13Å; I126-L151 HydrophobicContact CB-CD2 4.24Å; I126-L151 HydrophobicContact CD1-CD2 3.48Å; I126-L151 VanDerWaalsContact CD1-CD2 3.48Å; I126-L151 HydrophobicContact CG1-CD2 4.46Å; I126-L151 HydrophobicContact CG2-CD2 4.16Å; I126-V161 HydrophobicContact CD1-CB 4.31Å; I126-V161 HydrophobicContact CD1-CG1 4.13Å; I126-V161 HydrophobicContact CD1-CG2 4.31Å; I126-H164 HydrophobicContact CD1-CB 3.89Å; I126-H164 HydrophobicContact CG1-CB 3.95Å; I126-H164 PolarHBondContact O-CE1 2.78Å; I126-H164 PolarHBondContact O-ND1 3.4Å; I126-H164 PolarHBondContact O-NE2 3.09Å
127W97.5Very high96.6Very high59 Ų5960.7 Ų60.722%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-158.3169.6167.468.4101.2000109.2K125 E129 W133 H134 I136 H145K125-W127 HydrophobicContact CD-CE3 4.13Å; K125-W127 HydrophobicContact CD-CZ3 4.08Å; K125-W127 HydrophobicContact CG-CE3 4.05Å; K125-W127 HydrophobicContact CG-CZ3 4.23Å; W127-E129 PolarHBondContact NE1-OE2 3.19Å; W127-W133 WeakPolarHBondContact O-CA 3.45Å; W127-H134 HydrophobicContact CD2-CB 3.54Å; W127-H134 AromaticContact CE2-CG 3.53Å; W127-H134 HydrophobicContact CE3-CB 3.8Å; W127-H134 HydrophobicContact CG-CB 4.22Å; W127-H134 HydrophobicContact CH2-CB 3.6Å; W127-H134 HydrophobicContact CZ2-CB 3.32Å; W127-H134 AromaticContact CZ2-CG 3.55Å; W127-H134 AromaticContact CZ2-ND1 3.69Å; W127-H134 HydrophobicContact CZ3-CB 3.82Å; W127-H134 PolarHBondContact N-O 3.16Å; W127-H134 AromaticContact NE1-CD2 3.71Å; W127-H134 AromaticContact NE1-CG 3.64Å; W127-H134 PolarHBondContact O-N 3.02Å; W127-I136 HydrophobicContact CH2-CD1 3.68Å; W127-I136 HydrophobicContact CH2-CG1 3.91Å; W127-I136 HydrophobicContact CZ3-CD1 3.61Å; W127-I136 HydrophobicContact CZ3-CG1 3.74Å; W127-H145 AromaticContact CH2-CE1 3.87Å; W127-H145 AromaticContact CH2-NE2 3.41Å; W127-H145 WeakPolarHBondContact CH2-NE2 3.46Å; W127-H145 AromaticContact CZ2-CE1 4Å; W127-H145 AromaticContact CZ2-NE2 3.71Å
128R95.4Very high96.6Very high101 Ų10165.8 Ų65.838%0.38130%0.296SS..EExtended strand (participates in β ladder)trans-117.1131.4176.3-167.4174.7-175.7169.74.7110.2D131 K132 W133R128-D131 IonicContact CZ-OD1 3.84Å; R128-D131 IonicContact NE-OD1 3.97Å; R128-D131 IonicContact NH2-OD1 3.55Å; R128-D131 PolarHBondContact NH2-OD1 3.21Å; R128-K132 VanDerWaalsContact CA-O 3.32Å; R128-K132 WeakPolarHBondContact CA-O 3.27Å; R128-K132 WeakPolarHBondContact CG-O 3.34Å; R128-W133 HydrophobicContact CB-CD2 4.38Å; R128-W133 HydrophobicContact CB-CE3 4.05Å; R128-W133 HydrophobicContact CB-CH2 4.05Å; R128-W133 HydrophobicContact CB-CZ2 4.44Å; R128-W133 HydrophobicContact CB-CZ3 3.88Å
129E96.2Very high96.3Very high100 Ų10063.1 Ų63.147%0.46729%0.286SS..EExtended strand (participates in β ladder)trans-151.7142.8-179.8-178.8169.8-148.500107.9W127 D131 K132 H134W127-E129 PolarHBondContact NE1-OE2 3.19Å; E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 3.23Å; E129-D131 VanDerWaalsContact O-N 3.1Å; E129-K132 PolarHBondContact N-O 2.98Å; E129-K132 PolarHBondContact O-N 3.11Å; E129-H134 IonicContact OE2-NE2 3.15Å
130D92.7Very high95.9Very high137 Ų13767.9 Ų67.973%0.73331%0.313SS*.THydrogen-bonded Turntrans46.244.6180-59.7-27.9000115.2K132D130-K132 PolarHBondContact O-N 2.81Å; D130-K132 VanDerWaalsContact O-N 3.16Å
131D91.8Very high95.5Very high116 Ų11665.2 Ų65.262%0.6231%0.309SS*.THydrogen-bonded Turntrans60.816.7-177.7-15734.7000115.4R128 E129R128-D131 IonicContact CZ-OD1 3.84Å; R128-D131 IonicContact NE-OD1 3.97Å; R128-D131 IonicContact NH2-OD1 3.55Å; R128-D131 PolarHBondContact NH2-OD1 3.21Å; E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 3.23Å; E129-D131 VanDerWaalsContact O-N 3.1Å
132K96.3Very high95.4Very high92 Ų9274 Ų7440%0.434%0.342SS..EExtended strand (participates in β ladder)trans-122.4148179.4-64.3171.3-173.1173.10111.3R128 E129 D130R128-K132 VanDerWaalsContact CA-O 3.32Å; R128-K132 WeakPolarHBondContact CA-O 3.27Å; R128-K132 WeakPolarHBondContact CG-O 3.34Å; E129-K132 PolarHBondContact N-O 2.98Å; E129-K132 PolarHBondContact O-N 3.11Å; D130-K132 PolarHBondContact O-N 2.81Å; D130-K132 VanDerWaalsContact O-N 3.16Å
133W98Very high95.5Very high18 Ų1877.1 Ų77.17%0.06835%0.354CS..EExtended strand (participates in β ladder)trans-82.8128.6166.7-71.698.9000109.4W127 R128 T147 A148 L151 L165 W268W127-W133 WeakPolarHBondContact O-CA 3.45Å; R128-W133 HydrophobicContact CB-CD2 4.38Å; R128-W133 HydrophobicContact CB-CE3 4.05Å; R128-W133 HydrophobicContact CB-CH2 4.05Å; R128-W133 HydrophobicContact CB-CZ2 4.44Å; R128-W133 HydrophobicContact CB-CZ3 3.88Å; W133-T147 CarbonylContact O-C 3.58Å; W133-T147 WeakPolarHBondContact O-CA 3.44Å; W133-A148 WeakPolarHBondContact CB-O 3.28Å; W133-A148 PolarHBondContact N-O 2.95Å; W133-A148 PolarHBondContact O-N 2.85Å; W133-L151 HydrophobicContact CB-CB 4.12Å; W133-L151 HydrophobicContact CD2-CB 3.81Å; W133-L151 HydrophobicContact CD2-CD2 3.87Å; W133-L151 HydrophobicContact CD2-CG 4.5Å; W133-L151 HydrophobicContact CE3-CD2 3.74Å; W133-L151 HydrophobicContact CG-CB 3.56Å; W133-L151 HydrophobicContact CG-CD2 4.31Å; W133-L151 HydrophobicContact CZ3-CD2 4.25Å; W133-L165 HydrophobicContact CH2-CD2 3.27Å; W133-L165 HydrophobicContact CZ2-CD2 4.02Å; W133-L165 HydrophobicContact CZ3-CD2 3.93Å; W133-W268 HydrophobicContact CH2-CH2 4.49Å; W133-W268 AromaticContact CZ2-CH2 3.79Å; W133-W268 HydrophobicContact CZ2-CH2 3.79Å; W133-W268 AromaticContact CZ2-CZ3 3.74Å; W133-W268 HydrophobicContact CZ2-CZ3 3.74Å
134H98.5Very high95.5Very high18 Ų1880.4 Ų80.48%0.08337%0.369CS..EExtended strand (participates in β ladder)trans-96.2137.2166.6-68.9-107.4000108.7I126 W127 E129 H145 T147I126-H134 VanDerWaalsContact CA-O 3.24Å; I126-H134 WeakPolarHBondContact CA-O 3.12Å; W127-H134 HydrophobicContact CD2-CB 3.54Å; W127-H134 AromaticContact CE2-CG 3.53Å; W127-H134 HydrophobicContact CE3-CB 3.8Å; W127-H134 HydrophobicContact CG-CB 4.22Å; W127-H134 HydrophobicContact CH2-CB 3.6Å; W127-H134 HydrophobicContact CZ2-CB 3.32Å; W127-H134 AromaticContact CZ2-CG 3.55Å; W127-H134 AromaticContact CZ2-ND1 3.69Å; W127-H134 HydrophobicContact CZ3-CB 3.82Å; W127-H134 PolarHBondContact N-O 3.16Å; W127-H134 AromaticContact NE1-CD2 3.71Å; W127-H134 AromaticContact NE1-CG 3.64Å; W127-H134 PolarHBondContact O-N 3.02Å; E129-H134 IonicContact OE2-NE2 3.15Å; H134-H145 AromaticContact CG-NE2 3.82Å; H134-H145 AromaticContact ND1-CE1 3.66Å; H134-H145 AromaticContact ND1-NE2 3.18Å; H134-H145 PolarHBondContact ND1-NE2 2.78Å; H134-H145 VanDerWaalsContact ND1-NE2 3.18Å; H134-T147 VanDerWaalsContact CE1-CG2 3.47Å; H134-T147 WeakPolarHBondContact CE1-CG2 3.11Å; H134-T147 WeakPolarHBondContact ND1-CG2 3.46Å
135V98.6Very high95.6Very high0 Ų076.4 Ų76.40%036%0.357CS..EExtended strand (participates in β ladder)trans-129.8121179.1-175.50000108.4A7 I9 L31 I126 F137 I146 L151A7-V135 HydrophobicContact CB-CG2 4.19Å; I9-V135 HydrophobicContact CD1-CG1 4.1Å; L31-V135 HydrophobicContact CD1-CG1 4.17Å; I126-V135 HydrophobicContact CG2-CB 4.48Å; I126-V135 HydrophobicContact CG2-CG1 4.25Å; I126-V135 HydrophobicContact CG2-CG2 4.13Å; V135-F137 HydrophobicContact CG1-CD1 4.4Å; V135-I146 HydrophobicContact CB-CD1 3.68Å; V135-I146 HydrophobicContact CB-CG1 4.01Å; V135-I146 HydrophobicContact CG2-CD1 3.86Å; V135-I146 PolarHBondContact N-O 2.86Å; V135-I146 PolarHBondContact O-N 2.66Å; V135-L151 HydrophobicContact CG2-CD1 4.01Å
136I98.4Very high95.6Very high22 Ų2271 Ų7111%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-102.8127.1167.7-67.6176.1000108.1R124 K125 W127 E143 Q144 H145R124-I136 HydrophobicContact CB-CG2 4.42Å; R124-I136 PolarHBondContact N-O 3.19Å; K125-I136 HydrophobicContact CB-CB 4.17Å; K125-I136 HydrophobicContact CD-CD1 4.47Å; K125-I136 PolarHBondContact N-O 2.89Å; K125-I136 PolarHBondContact O-N 3.15Å; W127-I136 HydrophobicContact CH2-CD1 3.68Å; W127-I136 HydrophobicContact CH2-CG1 3.91Å; W127-I136 HydrophobicContact CZ3-CD1 3.61Å; W127-I136 HydrophobicContact CZ3-CG1 3.74Å; I136-E143 HydrophobicContact CG2-CG 3.33Å; I136-E143 WeakPolarHBondContact CG2-OE2 3.4Å; I136-Q144 VanDerWaalsContact CA-O 3.3Å; I136-Q144 WeakPolarHBondContact CA-O 3.41Å; I136-H145 HydrophobicContact CG1-CB 4.46Å
137F98.1Very high95.7Very high0 Ų071 Ų710%034%0.335CS..EExtended strand (participates in β ladder)trans-138.7159.1177.767.3-84000111.6I29 L31 Y118 L122 V135 A139 Q144 I146I29-F137 HydrophobicContact CD1-CE1 4.15Å; I29-F137 HydrophobicContact CD1-CZ 4.09Å; L31-F137 HydrophobicContact CD1-CB 3.47Å; L31-F137 VanDerWaalsContact CD1-CB 3.47Å; L31-F137 HydrophobicContact CD1-CD1 3.75Å; L31-F137 HydrophobicContact CD1-CD2 4.03Å; L31-F137 HydrophobicContact CD1-CE1 4.46Å; L31-F137 HydrophobicContact CD1-CG 3.5Å; L31-F137 VanDerWaalsContact CD1-CG 3.5Å; L31-F137 HydrophobicContact CD2-CD1 4.23Å; L31-F137 HydrophobicContact CD2-CD2 3.79Å; L31-F137 HydrophobicContact CD2-CE1 4.2Å; L31-F137 HydrophobicContact CD2-CE2 3.76Å; L31-F137 HydrophobicContact CD2-CG 4.03Å; L31-F137 HydrophobicContact CD2-CZ 3.97Å; L31-F137 HydrophobicContact CG-CG 4.43Å; Y118-F137 AromaticContact CD1-CE2 3.74Å; Y118-F137 HydrophobicContact CD1-CE2 3.74Å; Y118-F137 HydrophobicContact CD1-CZ 4.35Å; Y118-F137 AromaticContact CD2-CE2 3.98Å; Y118-F137 HydrophobicContact CD2-CE2 3.98Å; Y118-F137 HydrophobicContact CD2-CZ 4.01Å; Y118-F137 AromaticContact CE1-CE2 3.98Å; Y118-F137 HydrophobicContact CE1-CE2 3.98Å; Y118-F137 HydrophobicContact CE1-CZ 4.24Å; Y118-F137 HydrophobicContact CE2-CE2 4.21Å; Y118-F137 AromaticContact CE2-CZ 3.89Å; Y118-F137 HydrophobicContact CE2-CZ 3.89Å; Y118-F137 AromaticContact CG-CE2 3.74Å; Y118-F137 HydrophobicContact CG-CE2 3.74Å; Y118-F137 HydrophobicContact CG-CZ 4.24Å; L122-F137 CarbonylContact O-C 3.51Å; L122-F137 VanDerWaalsContact O-CA 3.29Å; L122-F137 WeakPolarHBondContact O-CA 3.24Å; V135-F137 HydrophobicContact CG1-CD1 4.4Å; F137-A139 HydrophobicContact CD2-CB 4.07Å; F137-A139 HydrophobicContact CE2-CB 3.8Å; F137-Q144 HydrophobicContact CD1-CB 3.93Å; F137-Q144 HydrophobicContact CD2-CB 4.09Å; F137-Q144 HydrophobicContact CD2-CG 4.4Å; F137-Q144 HydrophobicContact CE1-CB 3.53Å; F137-Q144 HydrophobicContact CE1-CG 4.5Å; F137-Q144 HydrophobicContact CE2-CB 3.69Å; F137-Q144 HydrophobicContact CE2-CG 3.83Å; F137-Q144 HydrophobicContact CG-CB 4.21Å; F137-Q144 HydrophobicContact CZ-CB 3.4Å; F137-Q144 HydrophobicContact CZ-CG 3.89Å; F137-Q144 PolarHBondContact N-O 3.04Å; F137-Q144 PolarHBondContact O-N 3.24Å; F137-I146 HydrophobicContact CE1-CG1 4.01Å; F137-I146 HydrophobicContact CE1-CG2 4.04Å
138R97Very high95.7Very high145 Ų14568.2 Ų68.255%0.54732%0.324SS..EExtended strand (participates in β ladder)trans-101.7128.3173.3-167.9-178.8-174.8-158.2-0.9109.7S121 L122 G141 W142S121-R138 VanDerWaalsContact CA-O 3.3Å; S121-R138 WeakPolarHBondContact CA-O 3.41Å; S121-R138 WeakPolarHBondContact CB-O 3.18Å; S121-R138 PolarHBondContact OG-O 3.1Å; L122-R138 PolarHBondContact N-O 3.22Å; L122-R138 VanDerWaalsContact N-O 3.14Å; L122-R138 PolarHBondContact O-N 3.16Å; R138-G141 PolarHBondContact NE-O 2.89Å; R138-G141 VanDerWaalsContact NE-O 3.16Å; R138-W142 VanDerWaalsContact CA-O 3.26Å; R138-W142 WeakPolarHBondContact CA-O 3.34Å; R138-W142 WeakPolarHBondContact CG-O 3.48Å
139A93.3Very high95.8Very high2 Ų270 Ų702%0.01733%0.33CS..EExtended strand (participates in β ladder)trans-138.5135.9172.900000109.2Y118 S121 F137 G141 W142 Q144Y118-A139 HydrophobicContact CD1-CB 3.56Å; Y118-A139 HydrophobicContact CE1-CB 4.03Å; S121-A139 WeakPolarHBondContact OG-CB 3.46Å; F137-A139 HydrophobicContact CD2-CB 4.07Å; F137-A139 HydrophobicContact CE2-CB 3.8Å; A139-G141 PolarHBondContact O-N 2.87Å; A139-W142 PolarHBondContact N-O 2.7Å; A139-W142 PolarHBondContact O-N 3.05Å; A139-Q144 HydrophobicContact CB-CG 4.33Å
140D87.2Confident95.8Very high149 Ų14970.3 Ų70.380%0.79733%0.328SS*.THydrogen-bonded Turntrans49.934.5179.6-55.7-43.8000114.5W142D140-W142 VanDerWaalsContact C-N 3.29Å; D140-W142 PolarHBondContact O-N 2.87Å
141G87Confident96.1Very high44 Ų4465 Ų6545%0.45430%0.3SS..THydrogen-bonded Turntrans87.7-18-178.700000115.1R138 A139R138-G141 PolarHBondContact NE-O 2.89Å; R138-G141 VanDerWaalsContact NE-O 3.16Å; A139-G141 PolarHBondContact O-N 2.87Å
142W94.1Very high96.3Very high190 Ų19060 Ų6072%0.7227%0.273SS*.EExtended strand (participates in β ladder)trans-97.8150.6-175.1-57.394.7000112.8R138 A139 D140R138-W142 VanDerWaalsContact CA-O 3.26Å; R138-W142 WeakPolarHBondContact CA-O 3.34Å; R138-W142 WeakPolarHBondContact CG-O 3.48Å; A139-W142 PolarHBondContact N-O 2.7Å; A139-W142 PolarHBondContact O-N 3.05Å; D140-W142 VanDerWaalsContact C-N 3.29Å; D140-W142 PolarHBondContact O-N 2.87Å
143E97.1Very high96.3Very high138 Ų13856.3 Ų56.365%0.64526%0.262SS*.EExtended strand (participates in β ladder)trans-84.4129.4170.5-171.8166.9101.400109.9I136I136-E143 HydrophobicContact CG2-CG 3.33Å; I136-E143 WeakPolarHBondContact CG2-OE2 3.4Å
144Q97.5Very high96.2Very high74 Ų7456.5 Ų56.535%0.34627%0.267SS..EExtended strand (participates in β ladder)trans-115.1145.3179-60.5-60.5-24.500109.4I136 F137 A139I136-Q144 VanDerWaalsContact CA-O 3.3Å; I136-Q144 WeakPolarHBondContact CA-O 3.41Å; F137-Q144 HydrophobicContact CD1-CB 3.93Å; F137-Q144 HydrophobicContact CD2-CB 4.09Å; F137-Q144 HydrophobicContact CD2-CG 4.4Å; F137-Q144 HydrophobicContact CE1-CB 3.53Å; F137-Q144 HydrophobicContact CE1-CG 4.5Å; F137-Q144 HydrophobicContact CE2-CB 3.69Å; F137-Q144 HydrophobicContact CE2-CG 3.83Å; F137-Q144 HydrophobicContact CG-CB 4.21Å; F137-Q144 HydrophobicContact CZ-CB 3.4Å; F137-Q144 HydrophobicContact CZ-CG 3.89Å; F137-Q144 PolarHBondContact N-O 3.04Å; F137-Q144 PolarHBondContact O-N 3.24Å; A139-Q144 HydrophobicContact CB-CG 4.33Å
145H97.9Very high96Very high74 Ų7457.6 Ų57.634%0.34327%0.273SS..EExtended strand (participates in β ladder)trans-130120.1178.5-175.2-165.2000110.8M1 W127 H134 I136M1-H145 PolarHBondContact SD-CE1 2.52Å; W127-H145 AromaticContact CH2-CE1 3.87Å; W127-H145 AromaticContact CH2-NE2 3.41Å; W127-H145 WeakPolarHBondContact CH2-NE2 3.46Å; W127-H145 AromaticContact CZ2-CE1 4Å; W127-H145 AromaticContact CZ2-NE2 3.71Å; H134-H145 AromaticContact CG-NE2 3.82Å; H134-H145 AromaticContact ND1-CE1 3.66Å; H134-H145 AromaticContact ND1-NE2 3.18Å; H134-H145 PolarHBondContact ND1-NE2 2.78Å; H134-H145 VanDerWaalsContact ND1-NE2 3.18Å; I136-H145 HydrophobicContact CG1-CB 4.46Å
146I98.5Very high95.7Very high9 Ų958.9 Ų58.95%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-128.9165.8177.364.886.8000110.9E2 F4 A7 I29 V135 F137E2-I146 HydrophobicContact CB-CG2 4.37Å; F4-I146 HydrophobicContact CD2-CB 4.25Å; F4-I146 HydrophobicContact CD2-CD1 4.29Å; F4-I146 HydrophobicContact CE2-CB 4.09Å; F4-I146 HydrophobicContact CE2-CG2 3.96Å; A7-I146 HydrophobicContact CB-CD1 4.25Å; I29-I146 HydrophobicContact CD1-CG1 4.25Å; I29-I146 HydrophobicContact CD1-CG2 4.37Å; I29-I146 HydrophobicContact CG2-CD1 4.1Å; V135-I146 HydrophobicContact CB-CD1 3.68Å; V135-I146 HydrophobicContact CB-CG1 4.01Å; V135-I146 HydrophobicContact CG2-CD1 3.86Å; V135-I146 PolarHBondContact N-O 2.86Å; V135-I146 PolarHBondContact O-N 2.66Å; F137-I146 HydrophobicContact CE1-CG1 4.01Å; F137-I146 HydrophobicContact CE1-CG2 4.04Å
147T98.7Very high95.3Very high4 Ų458.2 Ų58.23%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-118.8153.8165.853.50000112M1 E2 H3 F4 W133 H134M1-T147 HydrophobicContact CE-CG2 3.35Å; M1-T147 HydrophobicContact CG-CG2 4.44Å; M1-T147 HydrophobicContact SD-CG2 3.63Å; E2-T147 PolarHBondContact O-N 3.37Å; E2-T147 PolarHBondContact O-OG1 2.79Å; H3-T147 CarbonylContact C-O 3.57Å; H3-T147 WeakPolarHBondContact CA-O 3.41Å; H3-T147 PolarHBondContact ND1-OG1 2.98Å; F4-T147 PolarHBondContact N-O 2.92Å; W133-T147 CarbonylContact O-C 3.58Å; W133-T147 WeakPolarHBondContact O-CA 3.44Å; H134-T147 VanDerWaalsContact CE1-CG2 3.47Å; H134-T147 WeakPolarHBondContact CE1-CG2 3.11Å; H134-T147 WeakPolarHBondContact ND1-CG2 3.46Å
148A98.4Very high95Very high0 Ų062.7 Ų62.70%031%0.308CS..EExtended strand (participates in β ladder)trans-142.4149.4170.600000112.6F4 A7 W133 Y150F4-A148 HydrophobicContact CB-CB 4.25Å; F4-A148 CarbonylContact O-C 3.49Å; F4-A148 WeakPolarHBondContact O-CA 3.3Å; A7-A148 HydrophobicContact CB-CB 3.66Å; W133-A148 WeakPolarHBondContact CB-O 3.28Å; W133-A148 PolarHBondContact N-O 2.95Å; W133-A148 PolarHBondContact O-N 2.85Å; A148-Y150 WeakPolarHBondContact CB-O 3.26Å
149R96.9Very high94.8Very high137 Ų13756.1 Ų56.152%0.51728%0.284SS..EExtended strand (participates in β ladder)trans-66.8-41.5172.2179178.3-77.6-174.8-4.6111.5F4 D5F4-R149 PolarHBondContact O-N 3.34Å; D5-R149 WeakPolarHBondContact O-CB 3.29Å; D5-R149 PolarHBondContact O-N 3.07Å
150Y96.8Very high94.8Very high107 Ų10757.8 Ų57.842%0.4229%0.293SS..EExtended strand (participates in β ladder)trans-120.8143.8178.8-56.3-72.5000111.8D5 V6 A7 A148D5-Y150 WeakPolarHBondContact O-CD2 3.35Å; D5-Y150 PolarHBondContact O-N 3.48Å; V6-Y150 WeakPolarHBondContact CA-O 3.43Å; V6-Y150 HydrophobicContact CG2-CD2 4.18Å; A7-Y150 PolarHBondContact N-O 3.1Å; A148-Y150 WeakPolarHBondContact CB-O 3.26Å
151L97.1Very high95.1Very high26 Ų2651 Ų5114%0.13626%0.256CS..EExtended strand (participates in β ladder)trans-120.1132.3175.2-179.269.5000110.1A7 I9 I126 W133 V135 V161A7-L151 HydrophobicContact CB-CD1 4.04Å; A7-L151 WeakPolarHBondContact O-CA 3.32Å; I9-L151 HydrophobicContact CD1-CD1 4.15Å; I9-L151 HydrophobicContact CG1-CD1 3.81Å; I126-L151 HydrophobicContact CB-CD2 4.24Å; I126-L151 HydrophobicContact CD1-CD2 3.48Å; I126-L151 VanDerWaalsContact CD1-CD2 3.48Å; I126-L151 HydrophobicContact CG1-CD2 4.46Å; I126-L151 HydrophobicContact CG2-CD2 4.16Å; W133-L151 HydrophobicContact CB-CB 4.12Å; W133-L151 HydrophobicContact CD2-CB 3.81Å; W133-L151 HydrophobicContact CD2-CD2 3.87Å; W133-L151 HydrophobicContact CD2-CG 4.5Å; W133-L151 HydrophobicContact CE3-CD2 3.74Å; W133-L151 HydrophobicContact CG-CB 3.56Å; W133-L151 HydrophobicContact CG-CD2 4.31Å; W133-L151 HydrophobicContact CZ3-CD2 4.25Å; V135-L151 HydrophobicContact CG2-CD1 4.01Å; L151-V161 HydrophobicContact CD2-CG1 3.97Å; L151-V161 HydrophobicContact CG-CG1 4.31Å
152V97.4Very high95.4Very high11 Ų1151 Ų517%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-120.5119.3178.7-177.50000110.2V6 A7 I8 I9 L18 A154 A272V6-V152 HydrophobicContact CG1-CG2 3.92Å; A7-V152 PolarHBondContact O-N 3.16Å; I8-V152 HydrophobicContact CG1-CB 4.24Å; I8-V152 HydrophobicContact CG1-CG2 4.47Å; I8-V152 HydrophobicContact CG2-CB 4.46Å; I9-V152 PolarHBondContact N-O 3.27Å; L18-V152 HydrophobicContact CD2-CB 4.22Å; L18-V152 HydrophobicContact CD2-CG1 3.74Å; L18-V152 HydrophobicContact CD2-CG2 3.84Å; V152-A154 PolarHBondContact O-N 2.98Å; V152-A272 HydrophobicContact CG2-CB 4.27Å
153G95.5Very high95.3Very high15 Ų1548.5 Ų48.516%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-88.3100.4171.100000111.8
154A96.4Very high95.1Very high21 Ų2146.1 Ų46.117%0.17422%0.222CC..  trans-118.125.6174.300000111.9I8 I9 G10 V152 G156I8-A154 HydrophobicContact CG2-CB 4.38Å; I9-A154 CarbonylContact O-C 3.56Å; I9-A154 VanDerWaalsContact O-CA 3.26Å; I9-A154 WeakPolarHBondContact O-CA 3.43Å; I9-A154 PolarHBondContact O-N 3.43Å; G10-A154 WeakPolarHBondContact O-CB 3.3Å; V152-A154 PolarHBondContact O-N 2.98Å; A154-G156 PolarHBondContact O-N 2.94Å
155D93.9Very high94.8Very high41 Ų4145.6 Ų45.622%0.21922%0.221CC..SBendtrans-93.514.4-172.155.9-23.3000113.9I9 S159 M160I9-D155 HydrophobicContact CG2-CB 4.1Å; I9-D155 WeakPolarHBondContact O-CB 3.45Å; I9-D155 PolarHBondContact O-N 3.27Å; D155-S159 VanDerWaalsContact CG-CA 3.44Å; D155-S159 VanDerWaalsContact CG-OG 3.32Å; D155-S159 WeakPolarHBondContact OD1-CA 3.32Å; D155-S159 WeakPolarHBondContact OD1-CB 3.41Å; D155-S159 PolarHBondContact OD1-OG 3.48Å; D155-S159 WeakPolarHBondContact OD2-CA 3.12Å; D155-S159 PolarHBondContact OD2-OG 3.15Å; D155-M160 PolarHBondContact OD2-N 2.87Å
156G92.1Very high94.4Very high27 Ų2745.4 Ų45.428%0.27822%0.218SC..  trans80.5-160165.100000115.8A154 N158 S159A154-G156 PolarHBondContact O-N 2.94Å; G156-N158 VanDerWaalsContact C-N 3.25Å; G156-N158 PolarHBondContact O-N 3.45Å; G156-S159 WeakPolarHBondContact O-CB 3.48Å; G156-S159 PolarHBondContact O-N 2.84Å
157A91.7Very high94Very high8 Ų848.7 Ų48.77%0.06624%0.239CC..THydrogen-bonded Turntrans-58.8-35.2-172.100000113.5S159 R162 T251 L253 T279A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 3.35Å; A157-R162 PolarHBondContact O-NH1 2.85Å; A157-R162 PolarHBondContact O-NH2 2.64Å; A157-T251 HydrophobicContact CB-CG2 4.41Å; A157-T251 WeakPolarHBondContact CB-O 3.31Å; A157-L253 HydrophobicContact CB-CG 4.05Å; A157-T279 HydrophobicContact CB-CG2 4.38Å
158N90.5Very high93.7Very high94 Ų9455.7 Ų55.750%0.50328%0.277SS..THydrogen-bonded Turntrans-92.223.1177.1-70.5-29.6000113.5G156 M160 R163 T251G156-N158 VanDerWaalsContact C-N 3.25Å; G156-N158 PolarHBondContact O-N 3.45Å; N158-M160 PolarHBondContact O-N 3.32Å; N158-M160 VanDerWaalsContact O-N 3.16Å; N158-R163 PolarHBondContact O-NH2 3.39Å; N158-T251 PolarHBondContact ND2-OG1 2.68Å; N158-T251 VanDerWaalsContact ND2-OG1 3.14Å; N158-T251 WeakPolarHBondContact OD1-CB 3.42Å; N158-T251 PolarHBondContact OD1-OG1 3.19Å
159S92.6Very high93.3Very high7 Ų757.7 Ų57.75%0.04929%0.286CS..  trans-41.7120.2-178.8175.50000112.4D155 G156 A157 V161 R162 R163D155-S159 VanDerWaalsContact CG-CA 3.44Å; D155-S159 VanDerWaalsContact CG-OG 3.32Å; D155-S159 WeakPolarHBondContact OD1-CA 3.32Å; D155-S159 WeakPolarHBondContact OD1-CB 3.41Å; D155-S159 PolarHBondContact OD1-OG 3.48Å; D155-S159 WeakPolarHBondContact OD2-CA 3.12Å; D155-S159 PolarHBondContact OD2-OG 3.15Å; G156-S159 WeakPolarHBondContact O-CB 3.48Å; G156-S159 PolarHBondContact O-N 2.84Å; A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 3.35Å; S159-V161 PolarHBondContact OG-N 3.38Å; S159-R162 WeakPolarHBondContact OG-CB 3.35Å; S159-R162 PolarHBondContact OG-N 2.79Å; S159-R163 VanDerWaalsContact O-CG 3.32Å; S159-R163 WeakPolarHBondContact O-CG 3.43Å; S159-R163 PolarHBondContact O-N 3.49Å; S159-R163 PolarHBondContact O-NE 3.08Å
160M93.7Very high92.9Very high38 Ų3856.7 Ų56.719%0.18729%0.287CS..Hα-helixtrans-65.8-46.1168.1158.3-178.8-62.400109.8C123 D155 N158 R162 R163 H164C123-M160 VanDerWaalsContact C-SD 3.57Å; C123-M160 HydrophobicContact CB-SD 3.85Å; C123-M160 WeakPolarHBondContact O-CE 3.36Å; C123-M160 VanDerWaalsContact O-SD 3.33Å; C123-M160 PolarHBondContact SG-SD 2.93Å; D155-M160 PolarHBondContact OD2-N 2.87Å; N158-M160 PolarHBondContact O-N 3.32Å; N158-M160 VanDerWaalsContact O-N 3.16Å; M160-R162 VanDerWaalsContact C-N 3.35Å; M160-R162 PolarHBondContact O-N 3.32Å; M160-R163 PolarHBondContact O-N 2.93Å; M160-R163 VanDerWaalsContact O-N 3.16Å; M160-H164 WeakPolarHBondContact O-CB 3.28Å; M160-H164 PolarHBondContact O-N 3.29Å
161V94.4Very high92.7Very high5 Ų552.5 Ų52.53%0.0327%0.272CS..Hα-helixtrans-57.2-50.7-177.5-179.10000110I9 I126 L151 S159 R163 H164 L165I9-V161 HydrophobicContact CB-CG2 3.84Å; I9-V161 HydrophobicContact CG1-CG2 3.73Å; I9-V161 HydrophobicContact CG2-CG2 4.25Å; I126-V161 HydrophobicContact CD1-CB 4.31Å; I126-V161 HydrophobicContact CD1-CG1 4.13Å; I126-V161 HydrophobicContact CD1-CG2 4.31Å; L151-V161 HydrophobicContact CD2-CG1 3.97Å; L151-V161 HydrophobicContact CG-CG1 4.31Å; S159-V161 PolarHBondContact OG-N 3.38Å; V161-R163 PolarHBondContact O-N 2.97Å; V161-H164 PolarHBondContact O-N 2.91Å; V161-L165 HydrophobicContact CG1-CD1 3.86Å; V161-L165 HydrophobicContact CG1-CG 4.44Å; V161-L165 VanDerWaalsContact O-CG 3.31Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 3.28Å
162R93Very high92.4Very high46 Ų4657 Ų5717%0.17429%0.287CS..Hα-helixtrans-59.5-45.3177.5-172.8-164.266.5-116.41.5112.1A157 S159 M160 H164 L165 Y166A157-R162 PolarHBondContact O-NH1 2.85Å; A157-R162 PolarHBondContact O-NH2 2.64Å; S159-R162 WeakPolarHBondContact OG-CB 3.35Å; S159-R162 PolarHBondContact OG-N 2.79Å; M160-R162 VanDerWaalsContact C-N 3.35Å; M160-R162 PolarHBondContact O-N 3.32Å; R162-H164 VanDerWaalsContact C-N 3.29Å; R162-H164 PolarHBondContact O-N 2.99Å; R162-L165 PolarHBondContact O-N 3.13Å; R162-Y166 HydrophobicContact CG-CD2 4.18Å; R162-Y166 PolarHBondContact O-N 2.97Å
163R91.6Very high92.3Very high137 Ų13760.1 Ų60.152%0.51730%0.3SS..Hα-helixtrans-66.3-31.9-178.4-76.7-175.6-64.3132.1-3.4112.8N158 S159 M160 V161 P167N158-R163 PolarHBondContact O-NH2 3.39Å; S159-R163 VanDerWaalsContact O-CG 3.32Å; S159-R163 WeakPolarHBondContact O-CG 3.43Å; S159-R163 PolarHBondContact O-N 3.49Å; S159-R163 PolarHBondContact O-NE 3.08Å; M160-R163 PolarHBondContact O-N 2.93Å; M160-R163 VanDerWaalsContact O-N 3.16Å; V161-R163 PolarHBondContact O-N 2.97Å; R163-P167 WeakPolarHBondContact O-CA 3.23Å
164H92Very high92.2Very high88 Ų8859.5 Ų59.541%0.40729%0.293SS..Hα-helixtrans-73.5-44.6175.3175.883.9000111.7I126 M160 V161 R162I126-H164 HydrophobicContact CD1-CB 3.89Å; I126-H164 HydrophobicContact CG1-CB 3.95Å; I126-H164 PolarHBondContact O-CE1 2.78Å; I126-H164 PolarHBondContact O-ND1 3.4Å; I126-H164 PolarHBondContact O-NE2 3.09Å; M160-H164 WeakPolarHBondContact O-CB 3.28Å; M160-H164 PolarHBondContact O-N 3.29Å; V161-H164 PolarHBondContact O-N 2.91Å; R162-H164 VanDerWaalsContact C-N 3.29Å; R162-H164 PolarHBondContact O-N 2.99Å
165L91.1Very high92.2Very high62 Ų6259.5 Ų59.533%0.32529%0.291SS..Hα-helixtrans-71.8-32.8-178.9-64.1176.4000113.1W133 V161 R162W133-L165 HydrophobicContact CH2-CD2 3.27Å; W133-L165 HydrophobicContact CZ2-CD2 4.02Å; W133-L165 HydrophobicContact CZ3-CD2 3.93Å; V161-L165 HydrophobicContact CG1-CD1 3.86Å; V161-L165 HydrophobicContact CG1-CG 4.44Å; V161-L165 VanDerWaalsContact O-CG 3.31Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 3.28Å; R162-L165 PolarHBondContact O-N 3.13Å
166Y90.3Very high92.3Very high71 Ų7158 Ų5828%0.27828%0.283SS..  trans-135.466.4-174.3-46.5-68000110.5R162 D168 H169 V262R162-Y166 HydrophobicContact CG-CD2 4.18Å; R162-Y166 PolarHBondContact O-N 2.97Å; Y166-D168 VanDerWaalsContact C-N 3.31Å; Y166-D168 PolarHBondContact O-N 3.49Å; Y166-H169 PolarHBondContact O-N 3.04Å; Y166-V262 HydrophobicContact CD1-CB 4.37Å; Y166-V262 HydrophobicContact CD1-CG1 3.84Å; Y166-V262 HydrophobicContact CE1-CB 4.12Å; Y166-V262 HydrophobicContact CE1-CG1 3.39Å; Y166-V262 HydrophobicContact CE2-CB 4.28Å; Y166-V262 HydrophobicContact CE2-CG1 4.38Å
167P90.6Very high92.5Very high77 Ų7757.3 Ų57.350%0.527%0.273SS..THydrogen-bonded Turntrans-62.5-37.4-173.624.6-33.6000112.9R163 H169 Q170R163-P167 WeakPolarHBondContact O-CA 3.23Å; P167-H169 VanDerWaalsContact C-N 3.34Å; P167-Q170 PolarHBondContact O-NE2 3.32Å
168D91.6Very high92.7Very high151 Ų15157.1 Ų57.181%0.80727%0.271SS*.THydrogen-bonded Turntrans-87.4-5.6-177.9-53.8-48.4000113Y166 Q170Y166-D168 VanDerWaalsContact C-N 3.31Å; Y166-D168 PolarHBondContact O-N 3.49Å; D168-Q170 PolarHBondContact O-N 3.25Å
169H90.1Very high93.1Very high42 Ų4253.7 Ų53.719%0.19425%0.252CS..  trans-87.894.1-179-169.958.7000111.7Y166 P167 Q259 D260 V262Y166-H169 PolarHBondContact O-N 3.04Å; P167-H169 VanDerWaalsContact C-N 3.34Å; H169-Q259 PolarHBondContact CE1-O 3.12Å; H169-Q259 PolarHBondContact NE2-O 2.64Å; H169-D260 WeakPolarHBondContact NE2-CA 3.29Å; H169-D260 PolarHBondContact NE2-O 3.36Å; H169-D260 VanDerWaalsContact NE2-O 3.16Å; H169-V262 VanDerWaalsContact CD2-CG2 3.4Å; H169-V262 WeakPolarHBondContact CD2-CG2 3.11Å; H169-V262 WeakPolarHBondContact NE2-CG2 3.42Å
170Q89.3Confident93.3Very high117 Ų11755.1 Ų55.155%0.54726%0.257SS..PPolyproline II helixtrans-89.3121177.9-60.8-58.6-40.200111.5P167 D168 K173P167-Q170 PolarHBondContact O-NE2 3.32Å; D168-Q170 PolarHBondContact O-N 3.25Å; Q170-K173 VanDerWaalsContact OE1-NZ 3.07Å
171I91.3Very high93.6Very high19 Ų1953.4 Ų53.410%0.09725%0.248CC..PPolyproline II helixtrans-97.2139.7168.4-56173000107.9K173 L253 P255 D260I171-K173 VanDerWaalsContact O-CG 3.24Å; I171-K173 WeakPolarHBondContact O-CG 3.43Å; I171-K173 PolarHBondContact O-N 3.32Å; I171-L253 HydrophobicContact CB-CD2 4.4Å; I171-L253 HydrophobicContact CD1-CD1 4.14Å; I171-L253 HydrophobicContact CG2-CB 4.15Å; I171-P255 HydrophobicContact CG2-CB 4.28Å; I171-D260 HydrophobicContact CG1-CB 4.26Å
172R92.5Very high93.8Very high120 Ų12055.5 Ų55.545%0.45327%0.266SS..PPolyproline II helixtrans-53.6135.3176.7-174-179-177.7177.55.1110.7Y174 F254R172-Y174 HydrophobicContact CG-CD2 4.48Å; R172-Y174 HydrophobicContact CG-CE2 3.94Å; R172-Y174 PolarHBondContact NE-OH 3.38Å; R172-Y174 PolarHBondContact NH2-OH 3.15Å; R172-F254 PolarHBondContact O-N 3.16Å
173K93.4Very high94Very high77 Ų7755.4 Ų55.434%0.33527%0.267SS..EExtended strand (participates in β ladder)trans-119.4143-174.9-53.3-178.3-172.6147.70111.3Q170 I171 M220 T251 V252 L253Q170-K173 VanDerWaalsContact OE1-NZ 3.07Å; I171-K173 VanDerWaalsContact O-CG 3.24Å; I171-K173 WeakPolarHBondContact O-CG 3.43Å; I171-K173 PolarHBondContact O-N 3.32Å; K173-M220 HydrophobicContact CB-CG 4.2Å; K173-M220 HydrophobicContact CB-SD 4.29Å; K173-T251 HydrophobicContact CB-CG2 4.31Å; K173-T251 HydrophobicContact CD-CG2 4.39Å; K173-V252 WeakPolarHBondContact CA-O 3.14Å; K173-L253 HydrophobicContact CD-CD2 4.42Å; K173-L253 HydrophobicContact CG-CD2 3.87Å
174Y95Very high94.3Very high1 Ų154.4 Ų54.40%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-123.3158170.8-77.4-115.3000108.9R172 N200 A217 Y218 P219 T251 V252 F254R172-Y174 HydrophobicContact CG-CD2 4.48Å; R172-Y174 HydrophobicContact CG-CE2 3.94Å; R172-Y174 PolarHBondContact NE-OH 3.38Å; R172-Y174 PolarHBondContact NH2-OH 3.15Å; Y174-N200 WeakPolarHBondContact CE1-OD1 3.44Å; Y174-N200 PolarHBondContact OH-ND2 3.37Å; Y174-N200 PolarHBondContact OH-OD1 2.98Å; Y174-A217 HydrophobicContact CD1-CB 4.28Å; Y174-Y218 CarbonylContact C-O 3.57Å; Y174-Y218 VanDerWaalsContact CA-O 3.28Å; Y174-Y218 WeakPolarHBondContact CA-O 3.47Å; Y174-Y218 WeakPolarHBondContact CB-O 3.29Å; Y174-Y218 VanDerWaalsContact CD1-O 3.27Å; Y174-Y218 WeakPolarHBondContact CD1-O 3.43Å; Y174-P219 HydrophobicContact CE1-CG 4.25Å; Y174-T251 WeakPolarHBondContact O-CA 3.35Å; Y174-V252 PolarHBondContact N-O 3.17Å; Y174-V252 PolarHBondContact O-N 3.09Å; Y174-F254 HydrophobicContact CD2-CB 3.8Å; Y174-F254 HydrophobicContact CD2-CG 4.35Å; Y174-F254 HydrophobicContact CE2-CB 3.87Å; Y174-F254 HydrophobicContact CE2-CD1 4.28Å; Y174-F254 HydrophobicContact CE2-CG 4.05Å
175V95.4Very high94.5Very high22 Ų2251 Ų5113%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-100.3118.1163.5610000107.8I177 Y218 M220 K249V175-I177 HydrophobicContact CG1-CD1 4.26Å; V175-I177 HydrophobicContact CG1-CG1 4.29Å; V175-I177 HydrophobicContact CG2-CG1 3.94Å; V175-Y218 PolarHBondContact N-O 3.24Å; V175-Y218 PolarHBondContact O-N 3Å; V175-M220 HydrophobicContact CB-SD 3.97Å; V175-K249 HydrophobicContact CG2-CB 4.19Å
176A96Very high94.7Very high8 Ų853.8 Ų53.87%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-78.9126.2163.300000108.1W204 G216 K249 C250 V252A176-W204 HydrophobicContact CB-CH2 4.23Å; A176-G216 CarbonylContact C-O 3.56Å; A176-G216 VanDerWaalsContact CA-O 3.26Å; A176-G216 WeakPolarHBondContact CA-O 3.48Å; A176-K249 CarbonylContact O-C 3.52Å; A176-K249 WeakPolarHBondContact O-CA 3.31Å; A176-C250 PolarHBondContact N-O 3.05Å; A176-C250 PolarHBondContact O-N 3.26Å; A176-V252 HydrophobicContact CB-CG2 3.68Å
177I96.6Very high95Very high13 Ų1355.5 Ų55.57%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-117.2133.8174.7-58.2175.1000107V175 G215 G216 Y218 G223 F227V175-I177 HydrophobicContact CG1-CD1 4.26Å; V175-I177 HydrophobicContact CG1-CG1 4.29Å; V175-I177 HydrophobicContact CG2-CG1 3.94Å; I177-G215 CarbonylContact O-C 3.6Å; I177-G215 WeakPolarHBondContact O-CA 3.28Å; I177-G216 PolarHBondContact N-O 2.87Å; I177-G216 PolarHBondContact O-N 2.77Å; I177-Y218 HydrophobicContact CB-CD2 4.24Å; I177-Y218 HydrophobicContact CB-CE2 4.05Å; I177-Y218 HydrophobicContact CD1-CD2 4.11Å; I177-Y218 HydrophobicContact CG1-CD2 4.18Å; I177-Y218 HydrophobicContact CG1-CE2 4.49Å; I177-G223 WeakPolarHBondContact CD1-O 3.39Å; I177-F227 HydrophobicContact CB-CD2 4.13Å; I177-F227 HydrophobicContact CB-CG 4.35Å; I177-F227 HydrophobicContact CD1-CB 4.26Å; I177-F227 HydrophobicContact CG2-CB 4.41Å; I177-F227 HydrophobicContact CG2-CD1 4.27Å; I177-F227 HydrophobicContact CG2-CD2 3.86Å; I177-F227 HydrophobicContact CG2-CE2 4.22Å; I177-F227 HydrophobicContact CG2-CG 3.9Å
178Q96.5Very high95.3Very high5 Ų554.3 Ų54.32%0.02328%0.283CS..EExtended strand (participates in β ladder)trans-140.1132.1-179.4-179.4169.5-86.800109.8C46 I213 F214 S247 E248C46-Q178 PolarHBondContact O-NE2 2.82Å; Q178-I213 HydrophobicContact CG-CG2 3.3Å; Q178-I213 VanDerWaalsContact OE1-CG2 3.29Å; Q178-F214 CarbonylContact C-O 3.43Å; Q178-F214 WeakPolarHBondContact CA-O 3.29Å; Q178-S247 CarbonylContact O-C 3.58Å; Q178-S247 WeakPolarHBondContact O-CA 3.43Å; Q178-E248 PolarHBondContact N-O 3.14Å; Q178-E248 PolarHBondContact NE2-OE2 3.15Å; Q178-E248 PolarHBondContact O-N 3.09Å
179Q97.9Very high95.5Very high22 Ų2248.3 Ų48.310%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-117.7148.4172.6-65.8-165.7-44.200110.6F181 I213 F214 F227 A244 K246 S247Q179-F181 HydrophobicContact CB-CD2 4.5Å; Q179-F181 HydrophobicContact CB-CE2 3.58Å; Q179-F181 HydrophobicContact CB-CZ 3.63Å; Q179-I213 WeakPolarHBondContact O-CA 3.01Å; Q179-F214 PolarHBondContact N-O 2.81Å; Q179-F214 PolarHBondContact O-N 2.96Å; Q179-F227 HydrophobicContact CB-CZ 3.93Å; Q179-F227 HydrophobicContact CG-CE1 3.82Å; Q179-F227 HydrophobicContact CG-CE2 4.45Å; Q179-F227 HydrophobicContact CG-CZ 3.51Å; Q179-A244 HydrophobicContact CB-CB 4.41Å; Q179-K246 CarbonylContact C-O 3.39Å; Q179-K246 WeakPolarHBondContact CA-O 3.25Å; Q179-S247 PolarHBondContact NE2-OG 3.27Å
180W97.9Very high95.9Very high37 Ų3746.4 Ų46.414%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-109.5134.7175.2-64.655.8000108.8K208 Y211 I213 A244 V245 K246 E248W180-K208 HydrophobicContact CH2-CD 4.38Å; W180-Y211 HydrophobicContact CE3-CD1 4.37Å; W180-Y211 AromaticContact CE3-CD2 3.99Å; W180-Y211 HydrophobicContact CE3-CD2 3.99Å; W180-Y211 AromaticContact CE3-CG 3.77Å; W180-Y211 HydrophobicContact CE3-CG 3.77Å; W180-Y211 HydrophobicContact CZ3-CD2 4.06Å; W180-Y211 HydrophobicContact CZ3-CG 4.27Å; W180-I213 HydrophobicContact CD2-CD1 3.99Å; W180-I213 HydrophobicContact CD2-CG1 3.76Å; W180-I213 HydrophobicContact CE3-CD1 4.06Å; W180-I213 HydrophobicContact CE3-CG1 3.94Å; W180-I213 HydrophobicContact CG-CG1 4.24Å; W180-I213 HydrophobicContact CH2-CD1 3.6Å; W180-I213 HydrophobicContact CH2-CG1 4.38Å; W180-I213 HydrophobicContact CZ2-CD1 3.52Å; W180-I213 HydrophobicContact CZ2-CG1 4.24Å; W180-I213 HydrophobicContact CZ3-CD1 3.87Å; W180-I213 HydrophobicContact CZ3-CG1 4.24Å; W180-A244 CarbonylContact O-C 3.54Å; W180-A244 WeakPolarHBondContact O-CA 3.43Å; W180-V245 HydrophobicContact CB-CG2 3.84Å; W180-V245 WeakPolarHBondContact O-CG2 3.38Å; W180-V245 PolarHBondContact O-N 3.19Å; W180-K246 HydrophobicContact CB-CB 4.05Å; W180-K246 VanDerWaalsContact CD1-CE 3.47Å; W180-K246 VanDerWaalsContact CD2-CE 3.49Å; W180-K246 VanDerWaalsContact CE2-NZ 3.29Å; W180-K246 HydrophobicContact CG-CB 4.13Å; W180-K246 VanDerWaalsContact CZ2-NZ 3.31Å; W180-K246 PolarHBondContact N-O 3.36Å; W180-K246 VanDerWaalsContact NE1-CE 3.29Å; W180-E248 PolarHBondContact NE1-OE2 2.86Å
181F98.4Very high96.3Very high1 Ų141.1 Ų41.10%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-125.4153.1176.9-55.4-85.5000108.5Q179 E183 Y211 F212 F214 K231 F241 G242 A244Q179-F181 HydrophobicContact CB-CD2 4.5Å; Q179-F181 HydrophobicContact CB-CE2 3.58Å; Q179-F181 HydrophobicContact CB-CZ 3.63Å; F181-E183 PolarHBondContact O-N 3.1Å; F181-Y211 CarbonylContact O-C 3.55Å; F181-Y211 WeakPolarHBondContact O-CA 3.45Å; F181-Y211 WeakPolarHBondContact O-CB 3.11Å; F181-F212 HydrophobicContact CB-CB 4.46Å; F181-F212 WeakPolarHBondContact CD2-O 3.23Å; F181-F212 PolarHBondContact N-O 3.36Å; F181-F212 PolarHBondContact O-N 2.62Å; F181-F214 HydrophobicContact CE2-CB 4.05Å; F181-K231 HydrophobicContact CZ-CD 3.89Å; F181-F241 HydrophobicContact CD1-CB 4.25Å; F181-F241 AromaticContact CD2-CD1 3.84Å; F181-F241 HydrophobicContact CD2-CD1 3.84Å; F181-F241 HydrophobicContact CE1-CB 4.14Å; F181-F241 HydrophobicContact CE1-CD1 4.34Å; F181-F241 AromaticContact CE2-CD1 3.65Å; F181-F241 HydrophobicContact CE2-CD1 3.65Å; F181-F241 HydrophobicContact CE2-CE1 4.19Å; F181-F241 HydrophobicContact CG-CD1 4.29Å; F181-F241 HydrophobicContact CZ-CB 4.47Å; F181-F241 AromaticContact CZ-CD1 3.9Å; F181-F241 HydrophobicContact CZ-CD1 3.9Å; F181-G242 VanDerWaalsContact CD1-O 3.22Å; F181-G242 WeakPolarHBondContact CD1-O 3.44Å; F181-G242 WeakPolarHBondContact CE1-O 3.2Å; F181-A244 HydrophobicContact CD1-CB 4.29Å; F181-A244 HydrophobicContact CE1-CB 3.8Å; F181-A244 HydrophobicContact CZ-CB 4.32Å
182A98.4Very high96.6Very high49 Ų4940.6 Ų40.641%0.40521%0.214SC..EExtended strand (participates in β ladder)trans-60.2136.416500000109.2K184A182-K184 PolarHBondContact O-N 3.4Å
183E98.1Very high96.9Very high44 Ų4434.9 Ų34.921%0.20619%0.193CC..  trans-64.8129.5178.8-175.957.9-84.900110.1F181 H185 S207 G210F181-E183 PolarHBondContact O-N 3.1Å; E183-H185 WeakPolarHBondContact OE1-CB 3.2Å; E183-H185 IonicContact OE1-CE1 3.83Å; E183-H185 IonicContact OE1-CG 3.43Å; E183-H185 PolarHBondContact OE1-N 3.44Å; E183-H185 IonicContact OE1-ND1 2.71Å; E183-H185 PolarHBondContact OE1-ND1 2.88Å; E183-S207 WeakPolarHBondContact OE2-CB 3.43Å; E183-S207 PolarHBondContact OE2-OG 2.89Å; E183-G210 WeakPolarHBondContact CB-O 3.23Å; E183-G210 PolarHBondContact N-O 3.43Å
184K97.1Very high97.1Very high117 Ų11734.2 Ų34.251%0.50919%0.19SC..  trans-127.6-12.2-180-70.3-171.8174.2-169.80112.5A182 Q240A182-K184 PolarHBondContact O-N 3.4Å; K184-Q240 HydrophobicContact CB-CB 4.21Å; K184-Q240 PolarHBondContact O-OE1 3.42Å
185H97.7Very high97.3Very high16 Ų1634.6 Ų34.67%0.07419%0.192CC..  trans-72.4133.9179.5-55.390.7000109.3E183 V187 F189 F212 Q240E183-H185 WeakPolarHBondContact OE1-CB 3.2Å; E183-H185 IonicContact OE1-CE1 3.83Å; E183-H185 IonicContact OE1-CG 3.43Å; E183-H185 PolarHBondContact OE1-N 3.44Å; E183-H185 IonicContact OE1-ND1 2.71Å; E183-H185 PolarHBondContact OE1-ND1 2.88Å; H185-V187 PolarHBondContact O-N 2.89Å; H185-F189 HydrophobicContact CB-CD1 4.48Å; H185-F189 HydrophobicContact CB-CE1 4.13Å; H185-F189 AromaticContact CD2-CE1 3.52Å; H185-F189 AromaticContact CG-CE1 3.62Å; H185-F189 AromaticContact ND1-CE1 3.96Å; H185-F189 AromaticContact NE2-CE1 3.79Å; H185-F189 AromaticContact NE2-CZ 3.97Å; H185-F212 AromaticContact CE1-CD1 3.71Å; H185-F212 AromaticContact CE1-CD2 3.66Å; H185-F212 AromaticContact CE1-CE1 3.62Å; H185-F212 AromaticContact CE1-CE2 3.58Å; H185-F212 AromaticContact CE1-CG 3.71Å; H185-F212 AromaticContact CE1-CZ 3.54Å; H185-F212 AromaticContact ND1-CD2 3.65Å; H185-F212 AromaticContact ND1-CE2 3.84Å; H185-F212 AromaticContact ND1-CG 3.91Å; H185-Q240 PolarHBondContact CE1-O 2.68Å; H185-Q240 PolarHBondContact NE2-N 2.79Å
186P94.8Very high97.3Very high120 Ų12040.3 Ų40.378%0.77922%0.222SC*.SBendtrans-65.4-27.9-179.326-34.7000112.3
187V95.4Very high97.3Very high108 Ų10843.8 Ų43.866%0.65525%0.246SC*.SBendtrans-121.2112.9174.4-178.30000107.9H185H185-V187 PolarHBondContact O-N 2.89Å
188P97.2Very high97.3Very high52 Ų5243.5 Ų43.534%0.33824%0.244SC..  trans-54.7145.5173.1-28.837.2000112.1P73 I75 S207P73-P188 HydrophobicContact CG-CB 3.7Å; P73-P188 HydrophobicContact CG-CG 4.26Å; I75-P188 VanDerWaalsContact CD1-C 3.49Å; I75-P188 HydrophobicContact CD1-CB 3.91Å; I75-P188 WeakPolarHBondContact CD1-O 3.47Å; P188-S207 WeakPolarHBondContact CA-OG 3.39Å
189F97.5Very high97.3Very high24 Ų2443.3 Ų43.311%0.10524%0.244CC..  trans-151.8159.9178.166.2-85.2000113.2I75 K79 H185 S205 S207 F212 F239I75-F189 VanDerWaalsContact CD1-CA 3.45Å; K79-F189 HydrophobicContact CB-CD2 4.24Å; K79-F189 HydrophobicContact CD-CD2 4.26Å; K79-F189 HydrophobicContact CD-CE2 4.22Å; H185-F189 HydrophobicContact CB-CD1 4.48Å; H185-F189 HydrophobicContact CB-CE1 4.13Å; H185-F189 AromaticContact CD2-CE1 3.52Å; H185-F189 AromaticContact CG-CE1 3.62Å; H185-F189 AromaticContact ND1-CE1 3.96Å; H185-F189 AromaticContact NE2-CE1 3.79Å; H185-F189 AromaticContact NE2-CZ 3.97Å; F189-S205 VanDerWaalsContact CE2-OG 3.23Å; F189-S205 WeakPolarHBondContact CE2-OG 3.48Å; F189-S207 PolarHBondContact N-OG 2.86Å; F189-S207 PolarHBondContact O-N 2.95Å; F189-S207 VanDerWaalsContact O-N 3.14Å; F189-S207 PolarHBondContact O-OG 3.22Å; F189-F212 AromaticContact CE1-CE2 3.86Å; F189-F212 HydrophobicContact CE1-CE2 3.86Å; F189-F212 HydrophobicContact CE1-CZ 4.31Å; F189-F212 AromaticContact CE2-CE2 3.95Å; F189-F212 HydrophobicContact CE2-CE2 3.95Å; F189-F212 HydrophobicContact CE2-CZ 4.07Å; F189-F212 AromaticContact CZ-CE2 3.53Å; F189-F212 HydrophobicContact CZ-CE2 3.53Å; F189-F212 AromaticContact CZ-CZ 3.61Å; F189-F212 HydrophobicContact CZ-CZ 3.61Å; F189-F239 HydrophobicContact CE2-CD1 4.47Å; F189-F239 AromaticContact CE2-CE1 3.8Å; F189-F239 HydrophobicContact CE2-CE1 3.8Å; F189-F239 HydrophobicContact CE2-CE2 4.29Å; F189-F239 AromaticContact CE2-CZ 3.69Å; F189-F239 HydrophobicContact CE2-CZ 3.69Å; F189-F239 HydrophobicContact CZ-CD1 4.18Å; F189-F239 AromaticContact CZ-CE1 3.97Å; F189-F239 HydrophobicContact CZ-CE1 3.97Å; F189-F239 HydrophobicContact CZ-CE2 4.33Å; F189-F239 HydrophobicContact CZ-CG 4.45Å; F189-F239 HydrophobicContact CZ-CZ 4.04Å
190Y97.6Very high97Very high2 Ų244.6 Ų44.61%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-102.4144.8161.6-52.7-25.9000108.8L49 P73 I75 K79 N97 S205 I206L49-Y190 HydrophobicContact CD1-CD2 4.05Å; L49-Y190 HydrophobicContact CD1-CE2 4.49Å; L49-Y190 HydrophobicContact CD1-CG 4.19Å; L49-Y190 HydrophobicContact CD2-CD2 4.06Å; L49-Y190 HydrophobicContact CD2-CE1 4.26Å; L49-Y190 HydrophobicContact CD2-CE2 3.66Å; P73-Y190 PolarHBondContact O-OH 3.04Å; I75-Y190 HydrophobicContact CB-CD2 3.96Å; I75-Y190 HydrophobicContact CB-CE1 4.15Å; I75-Y190 HydrophobicContact CB-CE2 3.57Å; I75-Y190 HydrophobicContact CB-CG 4.41Å; I75-Y190 HydrophobicContact CD1-CD1 3.94Å; I75-Y190 HydrophobicContact CD1-CE1 3.62Å; I75-Y190 HydrophobicContact CG1-CE1 3.91Å; I75-Y190 HydrophobicContact CG1-CE2 4.19Å; I75-Y190 PolarHBondContact N-OH 3.09Å; I75-Y190 WeakPolarHBondContact O-CE2 3.38Å; K79-Y190 WeakPolarHBondContact CB-O 3.29Å; K79-Y190 PolarHBondContact N-O 2.75Å; N97-Y190 WeakPolarHBondContact CB-OH 3.07Å; N97-Y190 PolarHBondContact ND2-OH 3.39Å; N97-Y190 VanDerWaalsContact ND2-OH 3.15Å; Y190-S205 CarbonylContact C-O 3.56Å; Y190-S205 VanDerWaalsContact CA-O 3.28Å; Y190-S205 WeakPolarHBondContact CA-O 3.39Å; Y190-I206 HydrophobicContact CD1-CB 4.29Å; Y190-I206 HydrophobicContact CD1-CG2 3.79Å; Y190-I206 HydrophobicContact CE1-CG2 3.77Å
191S97.7Very high96.8Very high6 Ų643.2 Ų43.24%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-133.3152.3172.174.40000113.9K79 W204 S205 F239K79-S191 CarbonylContact O-C 3.46Å; K79-S191 WeakPolarHBondContact O-CA 3.17Å; K79-S191 WeakPolarHBondContact O-CB 3.49Å; S191-W204 VanDerWaalsContact O-CA 3.26Å; S191-W204 WeakPolarHBondContact O-CA 3.32Å; S191-S205 WeakPolarHBondContact CB-OG 3.23Å; S191-S205 PolarHBondContact N-O 3.44Å; S191-S205 PolarHBondContact O-N 2.94Å; S191-S205 VanDerWaalsContact O-N 3.13Å; S191-S205 VanDerWaalsContact OG-CB 3.29Å; S191-S205 WeakPolarHBondContact OG-CB 3.34Å; S191-S205 PolarHBondContact OG-N 2.95Å; S191-S205 PolarHBondContact OG-OG 2.55Å; S191-F239 WeakPolarHBondContact OG-CZ 3.15Å
192C97.5Very high96.6Very high8 Ų846 Ų465%0.05426%0.258CS..EExtended strand (participates in β ladder)trans-119.5123.7166.5-1750000107.2V78 K79 T80 V81 F194 Y202 S203V78-C192 HydrophobicContact CG1-CB 4.11Å; K79-C192 PolarHBondContact O-N 3Å; T80-C192 CarbonylContact C-O 3.58Å; T80-C192 VanDerWaalsContact CA-O 3.29Å; T80-C192 WeakPolarHBondContact CA-O 3.16Å; V81-C192 PolarHBondContact N-O 3.5Å; C192-F194 HydrophobicContact CB-CE2 4.43Å; C192-F194 WeakPolarHBondContact SG-CE2 3.33Å; C192-F194 VanDerWaalsContact SG-CZ 3.53Å; C192-Y202 WeakPolarHBondContact SG-CD2 3.48Å; C192-Y202 VanDerWaalsContact SG-CG 3.59Å; C192-S203 CarbonylContact C-O 3.56Å
193I98.5Very high96.5Very high1 Ų143.8 Ų43.81%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-120.2124.3-170.7-57.8154.7000108.6V81 V83 Y202 S203 F214 L230 M234 F239V81-I193 HydrophobicContact CB-CG1 4.2Å; V81-I193 HydrophobicContact CB-CG2 4.38Å; V81-I193 HydrophobicContact CG1-CG2 4.46Å; V81-I193 HydrophobicContact CG2-CG1 4.47Å; V83-I193 HydrophobicContact CG2-CG2 3.92Å; I193-Y202 WeakPolarHBondContact O-CA 3.47Å; I193-S203 PolarHBondContact N-O 2.98Å; I193-S203 PolarHBondContact O-N 3.46Å; I193-F214 HydrophobicContact CD1-CD2 4.33Å; I193-F214 HydrophobicContact CD1-CE2 3.51Å; I193-F214 HydrophobicContact CD1-CZ 4.31Å; I193-L230 HydrophobicContact CG2-CD1 4.14Å; I193-M234 HydrophobicContact CD1-CG 4.39Å; I193-M234 HydrophobicContact CD1-SD 3.75Å; I193-M234 HydrophobicContact CG1-SD 4.1Å; I193-M234 HydrophobicContact CG2-CE 3.88Å; I193-M234 HydrophobicContact CG2-SD 3.79Å; I193-F239 HydrophobicContact CD1-CE1 3.86Å; I193-F239 HydrophobicContact CD1-CZ 3.99Å; I193-F239 HydrophobicContact CG1-CZ 4.29Å
194F98.4Very high96.5Very high63 Ų6343.5 Ų43.528%0.27624%0.237SC..EExtended strand (participates in β ladder)trans-108.1114.1177.7-63.6-84000109.7T80 V81 V83 C192T80-F194 HydrophobicContact CG2-CD2 3.87Å; T80-F194 HydrophobicContact CG2-CE2 3.7Å; V81-F194 PolarHBondContact O-N 3.4Å; V83-F194 WeakPolarHBondContact CG2-O 3.26Å; V83-F194 PolarHBondContact N-O 2.95Å; C192-F194 HydrophobicContact CB-CE2 4.43Å; C192-F194 WeakPolarHBondContact SG-CE2 3.33Å; C192-F194 VanDerWaalsContact SG-CZ 3.53Å
195D98Very high96.5Very high9 Ų938 Ų385%0.04821%0.212CC..  trans-142.295.6169.4-173.2-17.5000109V83 S197 I198 T199 L230 K233V83-D195 HydrophobicContact CB-CB 3.83Å; V83-D195 HydrophobicContact CG1-CB 4.35Å; V83-D195 WeakPolarHBondContact CG1-OD2 3.18Å; V83-D195 HydrophobicContact CG2-CB 3.81Å; D195-S197 PolarHBondContact O-N 2.97Å; D195-S197 VanDerWaalsContact O-N 3.17Å; D195-S197 WeakPolarHBondContact OD1-CB 3.44Å; D195-S197 PolarHBondContact OD1-N 3.49Å; D195-S197 PolarHBondContact OD1-OG 3.32Å; D195-S197 PolarHBondContact OD2-OG 2.76Å; D195-I198 HydrophobicContact CB-CB 4.1Å; D195-I198 HydrophobicContact CB-CG1 3.97Å; D195-I198 VanDerWaalsContact CG-CG1 3.44Å; D195-I198 WeakPolarHBondContact O-CB 3.46Å; D195-I198 PolarHBondContact O-N 2.97Å; D195-I198 WeakPolarHBondContact OD2-CG1 3.41Å; D195-T199 PolarHBondContact O-N 2.76Å; D195-L230 HydrophobicContact CB-CD1 3.98Å; D195-K233 IonicContact OD1-NZ 3.16Å; D195-K233 VanDerWaalsContact OD2-CD 3.32Å; D195-K233 WeakPolarHBondContact OD2-CD 3.42Å; D195-K233 IonicContact OD2-NZ 3.45Å; D195-K233 PolarHBondContact OD2-NZ 2.99Å
196N96.2Very high96.5Very high142 Ų14237.4 Ų37.476%0.75921%0.21SC*.THydrogen-bonded Turntrans-62.6-21.5-178.4-74.1-33.4000113.2I198 T199N196-I198 VanDerWaalsContact C-N 3.27Å; N196-T199 WeakPolarHBondContact CA-O 3.26Å
197S95.6Very high96.7Very high80 Ų8031.8 Ų31.856%0.55917%0.173SC*.THydrogen-bonded Turntrans-71.4-26.9173.8750000111.9D195 K233D195-S197 PolarHBondContact O-N 2.97Å; D195-S197 VanDerWaalsContact O-N 3.17Å; D195-S197 WeakPolarHBondContact OD1-CB 3.44Å; D195-S197 PolarHBondContact OD1-N 3.49Å; D195-S197 PolarHBondContact OD1-OG 3.32Å; D195-S197 PolarHBondContact OD2-OG 2.76Å; S197-K233 PolarHBondContact OG-NZ 2.72Å
198I97.1Very high96.8Very high7 Ų727 Ų274%0.03614%0.144CC..THydrogen-bonded Turntrans-91.6-49.9-179.6-63-63.3000110.7D195 N196 Y218 R226 T229 L230D195-I198 HydrophobicContact CB-CB 4.1Å; D195-I198 HydrophobicContact CB-CG1 3.97Å; D195-I198 VanDerWaalsContact CG-CG1 3.44Å; D195-I198 WeakPolarHBondContact O-CB 3.46Å; D195-I198 PolarHBondContact O-N 2.97Å; D195-I198 WeakPolarHBondContact OD2-CG1 3.41Å; N196-I198 VanDerWaalsContact C-N 3.27Å; I198-Y218 HydrophobicContact CG2-CD1 3.99Å; I198-Y218 HydrophobicContact CG2-CE1 3.56Å; I198-R226 HydrophobicContact CG2-CB 4.13Å; I198-R226 VanDerWaalsContact O-CD 3.29Å; I198-R226 WeakPolarHBondContact O-CD 3.4Å; I198-R226 PolarHBondContact O-NH1 3.45Å; I198-T229 HydrophobicContact CD1-CG2 3.72Å; I198-L230 HydrophobicContact CB-CD1 4.38Å; I198-L230 HydrophobicContact CD1-CB 4.42Å; I198-L230 HydrophobicContact CG1-CB 4.22Å; I198-L230 HydrophobicContact CG1-CD1 3.99Å; I198-L230 HydrophobicContact CG2-CB 3.87Å; I198-L230 HydrophobicContact CG2-CD1 4.29Å; I198-L230 HydrophobicContact CG2-CD2 4.32Å; I198-L230 HydrophobicContact CG2-CG 4.37Å
199T95.4Very high96.8Very high2 Ų228 Ų281%0.01215%0.146CC..  trans-158.1148.8179.6-179.40000110.6D195 N196 C201 A217 Y218D195-T199 PolarHBondContact O-N 2.76Å; N196-T199 WeakPolarHBondContact CA-O 3.26Å; T199-C201 HydrophobicContact CG2-CB 4.46Å; T199-C201 WeakPolarHBondContact CG2-O 3.42Å; T199-C201 PolarHBondContact OG1-N 2.82Å; T199-C201 VanDerWaalsContact OG1-N 3.09Å; T199-A217 VanDerWaalsContact CB-O 3.32Å; T199-A217 WeakPolarHBondContact CB-O 3.48Å; T199-A217 PolarHBondContact OG1-O 2.89Å; T199-Y218 HydrophobicContact CG2-CD1 4.25Å; T199-Y218 HydrophobicContact CG2-CE1 4.21Å
200N93.4Very high96.8Very high48 Ų4829.3 Ų29.326%0.25717%0.167SC..SBendtrans-84.23.4170.565.4-49.4000112.6Y174Y174-N200 WeakPolarHBondContact CE1-OD1 3.44Å; Y174-N200 PolarHBondContact OH-ND2 3.37Å; Y174-N200 PolarHBondContact OH-OD1 2.98Å
201C93.1Very high96.8Very high9 Ų933.9 Ų33.96%0.06119%0.185CC..SBendtrans-94168.6161.9-60.30000109.2T199 A217T199-C201 HydrophobicContact CG2-CB 4.46Å; T199-C201 WeakPolarHBondContact CG2-O 3.42Å; T199-C201 PolarHBondContact OG1-N 2.82Å; T199-C201 VanDerWaalsContact OG1-N 3.09Å; C201-A217 HydrophobicContact CB-CB 4.1Å
202Y93.7Very high96.8Very high60 Ų6033.6 Ų33.624%0.23518%0.183CC..  trans-83.8156.9164.971.8-86.9000110.3C192 I193 W204 V282C192-Y202 WeakPolarHBondContact SG-CD2 3.48Å; C192-Y202 VanDerWaalsContact SG-CG 3.59Å; I193-Y202 WeakPolarHBondContact O-CA 3.47Å; Y202-W204 HydrophobicContact CD2-CE3 4.4Å; Y202-W204 HydrophobicContact CE2-CB 4.32Å; Y202-W204 HydrophobicContact CE2-CE3 4.07Å; Y202-V282 VanDerWaalsContact CE1-O 3.26Å; Y202-V282 WeakPolarHBondContact CE1-O 3.43Å
203S97.4Very high96.8Very high2 Ų233.2 Ų33.21%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-106.3161.8166.8-59.60000109.6C192 I193 G215 L230C192-S203 CarbonylContact C-O 3.56Å; I193-S203 PolarHBondContact N-O 2.98Å; I193-S203 PolarHBondContact O-N 3.46Å; S203-G215 CarbonylContact C-O 3.51Å; S203-G215 WeakPolarHBondContact CA-O 3.26Å; S203-G215 VanDerWaalsContact CB-O 3.29Å; S203-G215 WeakPolarHBondContact CB-O 3.45Å; S203-L230 WeakPolarHBondContact OG-CD2 3.42Å
204W97.3Very high96.8Very high38 Ų3833.1 Ų33.114%0.14418%0.18CC..EExtended strand (participates in β ladder)trans-134154.9-17357.587.5000112.3A176 S191 Y202 G215A176-W204 HydrophobicContact CB-CH2 4.23Å; S191-W204 VanDerWaalsContact O-CA 3.26Å; S191-W204 WeakPolarHBondContact O-CA 3.32Å; Y202-W204 HydrophobicContact CD2-CE3 4.4Å; Y202-W204 HydrophobicContact CE2-CB 4.32Å; Y202-W204 HydrophobicContact CE2-CE3 4.07Å; W204-G215 PolarHBondContact N-O 2.89Å; W204-G215 PolarHBondContact O-N 2.88Å
205S97.9Very high96.8Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-132.1149.1159.280.60000112F189 Y190 S191 F212 I213F189-S205 VanDerWaalsContact CE2-OG 3.23Å; F189-S205 WeakPolarHBondContact CE2-OG 3.48Å; Y190-S205 CarbonylContact C-O 3.56Å; Y190-S205 VanDerWaalsContact CA-O 3.28Å; Y190-S205 WeakPolarHBondContact CA-O 3.39Å; S191-S205 WeakPolarHBondContact CB-OG 3.23Å; S191-S205 PolarHBondContact N-O 3.44Å; S191-S205 PolarHBondContact O-N 2.94Å; S191-S205 VanDerWaalsContact O-N 3.13Å; S191-S205 VanDerWaalsContact OG-CB 3.29Å; S191-S205 WeakPolarHBondContact OG-CB 3.34Å; S191-S205 PolarHBondContact OG-N 2.95Å; S191-S205 PolarHBondContact OG-OG 2.55Å; S205-F212 WeakPolarHBondContact OG-CE2 3.4Å; S205-F212 VanDerWaalsContact OG-CZ 3.29Å; S205-F212 WeakPolarHBondContact OG-CZ 3Å; S205-I213 CarbonylContact C-O 3.46Å; S205-I213 WeakPolarHBondContact CA-O 3.32Å; S205-I213 WeakPolarHBondContact CB-O 3.38Å
206I97.8Very high96.7Very high5 Ų529.7 Ų29.73%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-146116.8-174.1-55.3172000109.3G47 L49 Y190 K208 I213G47-I206 VanDerWaalsContact C-CD1 3.46Å; G47-I206 WeakPolarHBondContact O-CD1 3.38Å; L49-I206 HydrophobicContact CD1-CD1 3.89Å; L49-I206 HydrophobicContact CD1-CG1 4.12Å; L49-I206 HydrophobicContact CD2-CG2 4.29Å; L49-I206 HydrophobicContact CG-CD1 3.93Å; Y190-I206 HydrophobicContact CD1-CB 4.29Å; Y190-I206 HydrophobicContact CD1-CG2 3.79Å; Y190-I206 HydrophobicContact CE1-CG2 3.77Å; I206-K208 HydrophobicContact CG2-CB 4.4Å; I206-I213 HydrophobicContact CB-CB 4.3Å; I206-I213 PolarHBondContact N-O 2.84Å; I206-I213 WeakPolarHBondContact O-CB 3.16Å; I206-I213 PolarHBondContact O-N 2.86Å
207S98.3Very high96.7Very high1 Ų123 Ų231%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-72.1126.4164.3-600000110.5N97 E183 P188 F189 Y211N97-S207 PolarHBondContact ND2-O 3.17Å; N97-S207 VanDerWaalsContact ND2-O 3.09Å; E183-S207 WeakPolarHBondContact OE2-CB 3.43Å; E183-S207 PolarHBondContact OE2-OG 2.89Å; P188-S207 WeakPolarHBondContact CA-OG 3.39Å; F189-S207 PolarHBondContact N-OG 2.86Å; F189-S207 PolarHBondContact O-N 2.95Å; F189-S207 VanDerWaalsContact O-N 3.14Å; F189-S207 PolarHBondContact O-OG 3.22Å; S207-Y211 CarbonylContact C-O 3.57Å; S207-Y211 WeakPolarHBondContact CA-O 3.44Å
208K97.5Very high96.7Very high7 Ų719.2 Ų19.23%0.0310%0.103CC..EExtended strand (participates in β ladder)trans-156.6121.5-174.3-169-179.5-53.8-138.10112.1G47 G48 A71 N72 N97 I98 W180 I206 G210 Y211 I213G47-K208 WeakPolarHBondContact O-CE 3.31Å; G47-K208 PolarHBondContact O-NZ 2.97Å; G48-K208 PolarHBondContact O-NZ 3.03Å; A71-K208 HydrophobicContact CB-CD 4.04Å; A71-K208 HydrophobicContact CB-CG 3.63Å; N72-K208 CarbonylContact O-C 3.46Å; N72-K208 WeakPolarHBondContact O-CA 3.44Å; N97-K208 WeakPolarHBondContact OD1-CE 3.43Å; N97-K208 PolarHBondContact OD1-NZ 3.43Å; I98-K208 PolarHBondContact O-NZ 3.03Å; W180-K208 HydrophobicContact CH2-CD 4.38Å; I206-K208 HydrophobicContact CG2-CB 4.4Å; K208-G210 VanDerWaalsContact C-N 3.26Å; K208-G210 PolarHBondContact O-N 3.15Å; K208-Y211 PolarHBondContact N-O 3.13Å; K208-Y211 WeakPolarHBondContact O-CA 3.45Å; K208-Y211 VanDerWaalsContact O-CB 3.32Å; K208-Y211 WeakPolarHBondContact O-CB 3.48Å; K208-Y211 PolarHBondContact O-N 3.46Å; K208-I213 HydrophobicContact CB-CD1 3.98Å; K208-I213 HydrophobicContact CD-CD1 4Å
209D96.4Very high96.6Very high73 Ų7320.4 Ų20.439%0.3911%0.111SC..THydrogen-bonded Turntrans48.144.6173.9-56.4-36.8000113.1A71 N72 Y211A71-D209 WeakPolarHBondContact CB-OD2 3.41Å; N72-D209 PolarHBondContact N-OD1 2.94Å; N72-D209 PolarHBondContact O-N 2.99Å; D209-Y211 VanDerWaalsContact C-N 3.28Å; D209-Y211 VanDerWaalsContact O-CD2 3.23Å; D209-Y211 WeakPolarHBondContact O-CD2 3.4Å; D209-Y211 WeakPolarHBondContact O-CE2 3.08Å; D209-Y211 PolarHBondContact O-N 3.41Å
210G97.2Very high96.4Very high53 Ų5325.3 Ų25.355%0.54614%0.135SC..THydrogen-bonded Turntrans78.66.1-177.500000114.9E183 K208E183-G210 WeakPolarHBondContact CB-O 3.23Å; E183-G210 PolarHBondContact N-O 3.43Å; K208-G210 VanDerWaalsContact C-N 3.26Å; K208-G210 PolarHBondContact O-N 3.15Å
211Y98.1Very high96.3Very high97 Ų9732.5 Ų32.538%0.3816%0.164SC..EExtended strand (participates in β ladder)trans-111.1148.1174.4-59.2-82.2000112W180 F181 S207 K208 D209 V245W180-Y211 HydrophobicContact CE3-CD1 4.37Å; W180-Y211 AromaticContact CE3-CD2 3.99Å; W180-Y211 HydrophobicContact CE3-CD2 3.99Å; W180-Y211 AromaticContact CE3-CG 3.77Å; W180-Y211 HydrophobicContact CE3-CG 3.77Å; W180-Y211 HydrophobicContact CZ3-CD2 4.06Å; W180-Y211 HydrophobicContact CZ3-CG 4.27Å; F181-Y211 CarbonylContact O-C 3.55Å; F181-Y211 WeakPolarHBondContact O-CA 3.45Å; F181-Y211 WeakPolarHBondContact O-CB 3.11Å; S207-Y211 CarbonylContact C-O 3.57Å; S207-Y211 WeakPolarHBondContact CA-O 3.44Å; K208-Y211 PolarHBondContact N-O 3.13Å; K208-Y211 WeakPolarHBondContact O-CA 3.45Å; K208-Y211 VanDerWaalsContact O-CB 3.32Å; K208-Y211 WeakPolarHBondContact O-CB 3.48Å; K208-Y211 PolarHBondContact O-N 3.46Å; D209-Y211 VanDerWaalsContact C-N 3.28Å; D209-Y211 VanDerWaalsContact O-CD2 3.23Å; D209-Y211 WeakPolarHBondContact O-CD2 3.4Å; D209-Y211 WeakPolarHBondContact O-CE2 3.08Å; D209-Y211 PolarHBondContact O-N 3.41Å; Y211-V245 HydrophobicContact CD1-CG2 3.96Å; Y211-V245 HydrophobicContact CE1-CG2 3.82Å
212F98.2Very high96.3Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-101.3113.3164.7-172.5-111.2000109F181 H185 F189 S205 F214 F239 F241F181-F212 HydrophobicContact CB-CB 4.46Å; F181-F212 WeakPolarHBondContact CD2-O 3.23Å; F181-F212 PolarHBondContact N-O 3.36Å; F181-F212 PolarHBondContact O-N 2.62Å; H185-F212 AromaticContact CE1-CD1 3.71Å; H185-F212 AromaticContact CE1-CD2 3.66Å; H185-F212 AromaticContact CE1-CE1 3.62Å; H185-F212 AromaticContact CE1-CE2 3.58Å; H185-F212 AromaticContact CE1-CG 3.71Å; H185-F212 AromaticContact CE1-CZ 3.54Å; H185-F212 AromaticContact ND1-CD2 3.65Å; H185-F212 AromaticContact ND1-CE2 3.84Å; H185-F212 AromaticContact ND1-CG 3.91Å; F189-F212 AromaticContact CE1-CE2 3.86Å; F189-F212 HydrophobicContact CE1-CE2 3.86Å; F189-F212 HydrophobicContact CE1-CZ 4.31Å; F189-F212 AromaticContact CE2-CE2 3.95Å; F189-F212 HydrophobicContact CE2-CE2 3.95Å; F189-F212 HydrophobicContact CE2-CZ 4.07Å; F189-F212 AromaticContact CZ-CE2 3.53Å; F189-F212 HydrophobicContact CZ-CE2 3.53Å; F189-F212 AromaticContact CZ-CZ 3.61Å; F189-F212 HydrophobicContact CZ-CZ 3.61Å; S205-F212 WeakPolarHBondContact OG-CE2 3.4Å; S205-F212 VanDerWaalsContact OG-CZ 3.29Å; S205-F212 WeakPolarHBondContact OG-CZ 3Å; F212-F214 HydrophobicContact CE1-CB 4.36Å; F212-F239 AromaticContact CE1-CD1 3.88Å; F212-F239 HydrophobicContact CE1-CD1 3.88Å; F212-F239 AromaticContact CZ-CD1 3.57Å; F212-F239 HydrophobicContact CZ-CD1 3.57Å; F212-F239 AromaticContact CZ-CE1 3.86Å; F212-F239 HydrophobicContact CZ-CE1 3.86Å; F212-F241 HydrophobicContact CD1-CD1 4.38Å; F212-F241 HydrophobicContact CD1-CE1 4.17Å; F212-F241 HydrophobicContact CE1-CD1 4.34Å; F212-F241 AromaticContact CE1-CE1 3.73Å; F212-F241 HydrophobicContact CE1-CE1 3.73Å; F212-F241 HydrophobicContact CE1-CZ 4.37Å
213I97.8Very high96.4Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-93132.1177.9-56.5177.9000107.8Q178 Q179 W180 S205 I206 K208Q178-I213 HydrophobicContact CG-CG2 3.3Å; Q178-I213 VanDerWaalsContact OE1-CG2 3.29Å; Q179-I213 WeakPolarHBondContact O-CA 3.01Å; W180-I213 HydrophobicContact CD2-CD1 3.99Å; W180-I213 HydrophobicContact CD2-CG1 3.76Å; W180-I213 HydrophobicContact CE3-CD1 4.06Å; W180-I213 HydrophobicContact CE3-CG1 3.94Å; W180-I213 HydrophobicContact CG-CG1 4.24Å; W180-I213 HydrophobicContact CH2-CD1 3.6Å; W180-I213 HydrophobicContact CH2-CG1 4.38Å; W180-I213 HydrophobicContact CZ2-CD1 3.52Å; W180-I213 HydrophobicContact CZ2-CG1 4.24Å; W180-I213 HydrophobicContact CZ3-CD1 3.87Å; W180-I213 HydrophobicContact CZ3-CG1 4.24Å; S205-I213 CarbonylContact C-O 3.46Å; S205-I213 WeakPolarHBondContact CA-O 3.32Å; S205-I213 WeakPolarHBondContact CB-O 3.38Å; I206-I213 HydrophobicContact CB-CB 4.3Å; I206-I213 PolarHBondContact N-O 2.84Å; I206-I213 WeakPolarHBondContact O-CB 3.16Å; I206-I213 PolarHBondContact O-N 2.86Å; K208-I213 HydrophobicContact CB-CD1 3.98Å; K208-I213 HydrophobicContact CD-CD1 4Å
214F98.2Very high96.3Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-133130.1176.1-177.6-100.5000110.2Q178 Q179 F181 I193 F212 F227 L230 K231 M234 F239 F241Q178-F214 CarbonylContact C-O 3.43Å; Q178-F214 WeakPolarHBondContact CA-O 3.29Å; Q179-F214 PolarHBondContact N-O 2.81Å; Q179-F214 PolarHBondContact O-N 2.96Å; F181-F214 HydrophobicContact CE2-CB 4.05Å; I193-F214 HydrophobicContact CD1-CD2 4.33Å; I193-F214 HydrophobicContact CD1-CE2 3.51Å; I193-F214 HydrophobicContact CD1-CZ 4.31Å; F212-F214 HydrophobicContact CE1-CB 4.36Å; F214-F227 AromaticContact CD1-CE2 3.63Å; F214-F227 HydrophobicContact CD1-CE2 3.63Å; F214-F227 AromaticContact CD1-CZ 3.88Å; F214-F227 HydrophobicContact CD1-CZ 3.88Å; F214-F227 HydrophobicContact CE1-CE2 4.01Å; F214-F227 HydrophobicContact CE1-CZ 4.41Å; F214-L230 HydrophobicContact CE1-CD2 4.27Å; F214-L230 HydrophobicContact CZ-CD2 3.75Å; F214-L230 HydrophobicContact CZ-CG 3.92Å; F214-K231 HydrophobicContact CD1-CB 4.49Å; F214-K231 HydrophobicContact CD1-CG 4.48Å; F214-K231 HydrophobicContact CE1-CB 3.94Å; F214-K231 HydrophobicContact CE1-CG 4.33Å; F214-M234 HydrophobicContact CE2-CG 3.73Å; F214-M234 HydrophobicContact CZ-CG 3.67Å; F214-F239 HydrophobicContact CD2-CD1 4.34Å; F214-F239 HydrophobicContact CD2-CE1 4.42Å; F214-F239 HydrophobicContact CE2-CD1 4.28Å; F214-F239 HydrophobicContact CE2-CE1 4.3Å; F214-F241 HydrophobicContact CB-CE1 3.8Å; F214-F241 HydrophobicContact CD1-CE1 4.05Å; F214-F241 HydrophobicContact CD1-CZ 4.3Å; F214-F241 AromaticContact CD2-CE1 3.88Å; F214-F241 HydrophobicContact CD2-CE1 3.88Å; F214-F241 AromaticContact CD2-CZ 3.93Å; F214-F241 HydrophobicContact CD2-CZ 3.93Å; F214-F241 HydrophobicContact CE1-CZ 4.43Å; F214-F241 HydrophobicContact CE2-CE1 4.45Å; F214-F241 HydrophobicContact CE2-CZ 4.05Å; F214-F241 AromaticContact CG-CE1 3.65Å; F214-F241 HydrophobicContact CG-CE1 3.65Å; F214-F241 HydrophobicContact CG-CZ 4.05Å; F214-F241 HydrophobicContact CZ-CZ 4.3Å
215G97.3Very high96.3Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-162.3172.1-176.200000114.1I177 S203 W204I177-G215 CarbonylContact O-C 3.6Å; I177-G215 WeakPolarHBondContact O-CA 3.28Å; S203-G215 CarbonylContact C-O 3.51Å; S203-G215 WeakPolarHBondContact CA-O 3.26Å; S203-G215 VanDerWaalsContact CB-O 3.29Å; S203-G215 WeakPolarHBondContact CB-O 3.45Å; W204-G215 PolarHBondContact N-O 2.89Å; W204-G215 PolarHBondContact O-N 2.88Å
216G96.5Very high96.3Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-165.3166.7177.400000110.9A176 I177 Y218A176-G216 CarbonylContact C-O 3.56Å; A176-G216 VanDerWaalsContact CA-O 3.26Å; A176-G216 WeakPolarHBondContact CA-O 3.48Å; I177-G216 PolarHBondContact N-O 2.87Å; I177-G216 PolarHBondContact O-N 2.77Å; G216-Y218 WeakPolarHBondContact CA-OH 3.22Å; G216-Y218 WeakPolarHBondContact O-CD2 3.22Å; G216-Y218 WeakPolarHBondContact O-CE2 3.47Å
217A96.1Very high96.3Very high2 Ų243.9 Ų43.92%0.01723%0.227CC..EExtended strand (participates in β ladder)trans-101.7124.917200000109.8Y174 T199 C201Y174-A217 HydrophobicContact CD1-CB 4.28Å; T199-A217 VanDerWaalsContact CB-O 3.32Å; T199-A217 WeakPolarHBondContact CB-O 3.48Å; T199-A217 PolarHBondContact OG1-O 2.89Å; C201-A217 HydrophobicContact CB-CB 4.1Å
218Y96.4Very high96.3Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-125.6155-174.6-49.1-79000112.1Y174 V175 I177 I198 T199 G216 R226 F227Y174-Y218 CarbonylContact C-O 3.57Å; Y174-Y218 VanDerWaalsContact CA-O 3.28Å; Y174-Y218 WeakPolarHBondContact CA-O 3.47Å; Y174-Y218 WeakPolarHBondContact CB-O 3.29Å; Y174-Y218 VanDerWaalsContact CD1-O 3.27Å; Y174-Y218 WeakPolarHBondContact CD1-O 3.43Å; V175-Y218 PolarHBondContact N-O 3.24Å; V175-Y218 PolarHBondContact O-N 3Å; I177-Y218 HydrophobicContact CB-CD2 4.24Å; I177-Y218 HydrophobicContact CB-CE2 4.05Å; I177-Y218 HydrophobicContact CD1-CD2 4.11Å; I177-Y218 HydrophobicContact CG1-CD2 4.18Å; I177-Y218 HydrophobicContact CG1-CE2 4.49Å; I198-Y218 HydrophobicContact CG2-CD1 3.99Å; I198-Y218 HydrophobicContact CG2-CE1 3.56Å; T199-Y218 HydrophobicContact CG2-CD1 4.25Å; T199-Y218 HydrophobicContact CG2-CE1 4.21Å; G216-Y218 WeakPolarHBondContact CA-OH 3.22Å; G216-Y218 WeakPolarHBondContact O-CD2 3.22Å; G216-Y218 WeakPolarHBondContact O-CE2 3.47Å; Y218-R226 HydrophobicContact CD1-CB 3.68Å; Y218-R226 HydrophobicContact CE1-CB 4.26Å; Y218-R226 HydrophobicContact CG-CB 4.25Å; Y218-F227 HydrophobicContact CD2-CB 4.25Å; Y218-F227 HydrophobicContact CE1-CB 4.5Å; Y218-F227 HydrophobicContact CE2-CB 3.65Å; Y218-F227 AromaticContact CE2-CD2 3.84Å; Y218-F227 HydrophobicContact CE2-CD2 3.84Å; Y218-F227 HydrophobicContact CE2-CG 4.23Å; Y218-F227 AromaticContact CZ-CD2 3.97Å; Y218-F227 WeakPolarHBondContact OH-CD2 3.32Å
219P94Very high96.3Very high32 Ų3248 Ų4821%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-52.4144.5168.8-26.936.4000112Y174 K221 G223Y174-P219 HydrophobicContact CE1-CG 4.25Å; P219-K221 VanDerWaalsContact C-N 3.32Å; P219-K221 PolarHBondContact O-N 3.23Å; P219-G223 PolarHBondContact O-N 3.38Å
220M92.7Very high96.4Very high105 Ų10544.5 Ų44.552%0.51723%0.234SC..THydrogen-bonded Turntrans-59.1-34.8-171-68.1-66.3-63.900114.7K173 V175K173-M220 HydrophobicContact CB-CG 4.2Å; K173-M220 HydrophobicContact CB-SD 4.29Å; V175-M220 HydrophobicContact CB-SD 3.97Å
221K90.8Very high96.4Very high198 Ų19844.3 Ų44.386%0.86122%0.218SC*.THydrogen-bonded Turntrans-73.3-45-174.5-69.1-173.4177.3-175.80113P219P219-K221 VanDerWaalsContact C-N 3.32Å; P219-K221 PolarHBondContact O-N 3.23Å
222D92.8Very high96.4Very high76 Ų7645.6 Ų45.641%0.40623%0.228SC..THydrogen-bonded Turntrans-114.320.6-168-41.4-43.4000113Q224 T225 R226D222-Q224 PolarHBondContact O-N 3.39Å; D222-T225 PolarHBondContact O-N 3.37Å; D222-R226 HydrophobicContact CB-CG 4.26Å; D222-R226 WeakPolarHBondContact O-CB 3.39Å; D222-R226 WeakPolarHBondContact O-CG 3.39Å; D222-R226 PolarHBondContact O-N 3.41Å; D222-R226 IonicContact OD2-NE 2.77Å; D222-R226 IonicContact OD2-NH2 3.67Å
223G94.8Very high96.4Very high4 Ų448.9 Ų48.94%0.04124%0.242CC..Hα-helixtrans-58.5-43.8-168.900000113.9I177 P219 F227I177-G223 WeakPolarHBondContact CD1-O 3.39Å; P219-G223 PolarHBondContact O-N 3.38Å; G223-F227 VanDerWaalsContact O-CB 3.3Å; G223-F227 WeakPolarHBondContact O-CB 3.16Å; G223-F227 PolarHBondContact O-N 3.03Å
224Q95.8Very high96.4Very high106 Ų10648.9 Ų48.950%0.49524%0.242SC..Hα-helixtrans-67.9-42.3-178.6-172.859.44500112.3D222 T228D222-Q224 PolarHBondContact O-N 3.39Å; Q224-T228 WeakPolarHBondContact O-CB 3.43Å; Q224-T228 PolarHBondContact O-N 3.33Å; Q224-T228 PolarHBondContact O-OG1 3.13Å
225T97.7Very high96.2Very high97 Ų9752.8 Ų52.860%0.59527%0.269SS*.Hα-helixtrans-62.5-50.4176.7-50.90000110D222 F227 T228 T229D222-T225 PolarHBondContact O-N 3.37Å; T225-F227 PolarHBondContact O-N 3.14Å; T225-T228 PolarHBondContact O-N 2.84Å; T225-T228 VanDerWaalsContact O-N 3.09Å; T225-T229 PolarHBondContact O-N 3.22Å; T225-T229 PolarHBondContact O-OG1 2.94Å; T225-T229 VanDerWaalsContact O-OG1 3.04Å
226R98Very high96.2Very high71 Ų7156.9 Ų56.927%0.26830%0.303SS..Hα-helixtrans-59.8-42.7178.5-71.4169.7178.3-114.30.7112.7I198 Y218 D222 T228 L230I198-R226 HydrophobicContact CG2-CB 4.13Å; I198-R226 VanDerWaalsContact O-CD 3.29Å; I198-R226 WeakPolarHBondContact O-CD 3.4Å; I198-R226 PolarHBondContact O-NH1 3.45Å; Y218-R226 HydrophobicContact CD1-CB 3.68Å; Y218-R226 HydrophobicContact CE1-CB 4.26Å; Y218-R226 HydrophobicContact CG-CB 4.25Å; D222-R226 HydrophobicContact CB-CG 4.26Å; D222-R226 WeakPolarHBondContact O-CB 3.39Å; D222-R226 WeakPolarHBondContact O-CG 3.39Å; D222-R226 PolarHBondContact O-N 3.41Å; D222-R226 IonicContact OD2-NE 2.77Å; D222-R226 IonicContact OD2-NH2 3.67Å; R226-T228 VanDerWaalsContact C-N 3.34Å; R226-T228 PolarHBondContact O-N 3.01Å; R226-L230 WeakPolarHBondContact O-CB 3.32Å; R226-L230 PolarHBondContact O-N 2.83Å
227F97.9Very high96.2Very high0 Ų057.9 Ų57.90%031%0.307CS..Hα-helixtrans-59.1-45.4173.9172.2-91.1000111.8I177 Q179 F214 Y218 G223 T225 L230 K231I177-F227 HydrophobicContact CB-CD2 4.13Å; I177-F227 HydrophobicContact CB-CG 4.35Å; I177-F227 HydrophobicContact CD1-CB 4.26Å; I177-F227 HydrophobicContact CG2-CB 4.41Å; I177-F227 HydrophobicContact CG2-CD1 4.27Å; I177-F227 HydrophobicContact CG2-CD2 3.86Å; I177-F227 HydrophobicContact CG2-CE2 4.22Å; I177-F227 HydrophobicContact CG2-CG 3.9Å; Q179-F227 HydrophobicContact CB-CZ 3.93Å; Q179-F227 HydrophobicContact CG-CE1 3.82Å; Q179-F227 HydrophobicContact CG-CE2 4.45Å; Q179-F227 HydrophobicContact CG-CZ 3.51Å; F214-F227 AromaticContact CD1-CE2 3.63Å; F214-F227 HydrophobicContact CD1-CE2 3.63Å; F214-F227 AromaticContact CD1-CZ 3.88Å; F214-F227 HydrophobicContact CD1-CZ 3.88Å; F214-F227 HydrophobicContact CE1-CE2 4.01Å; F214-F227 HydrophobicContact CE1-CZ 4.41Å; Y218-F227 HydrophobicContact CD2-CB 4.25Å; Y218-F227 HydrophobicContact CE1-CB 4.5Å; Y218-F227 HydrophobicContact CE2-CB 3.65Å; Y218-F227 AromaticContact CE2-CD2 3.84Å; Y218-F227 HydrophobicContact CE2-CD2 3.84Å; Y218-F227 HydrophobicContact CE2-CG 4.23Å; Y218-F227 AromaticContact CZ-CD2 3.97Å; Y218-F227 WeakPolarHBondContact OH-CD2 3.32Å; G223-F227 VanDerWaalsContact O-CB 3.3Å; G223-F227 WeakPolarHBondContact O-CB 3.16Å; G223-F227 PolarHBondContact O-N 3.03Å; T225-F227 PolarHBondContact O-N 3.14Å; F227-L230 PolarHBondContact O-N 2.9Å; F227-K231 HydrophobicContact CE1-CD 4.36Å; F227-K231 WeakPolarHBondContact O-CB 3.44Å; F227-K231 PolarHBondContact O-N 3.03Å
228T97.7Very high96.2Very high44 Ų4465.3 Ų65.327%0.2734%0.342SS..Hα-helixtrans-65.8-48-178.4-54.50000110.9Q224 T225 R226 L230 K231 E232Q224-T228 WeakPolarHBondContact O-CB 3.43Å; Q224-T228 PolarHBondContact O-N 3.33Å; Q224-T228 PolarHBondContact O-OG1 3.13Å; T225-T228 PolarHBondContact O-N 2.84Å; T225-T228 VanDerWaalsContact O-N 3.09Å; R226-T228 VanDerWaalsContact C-N 3.34Å; R226-T228 PolarHBondContact O-N 3.01Å; T228-L230 VanDerWaalsContact C-N 3.32Å; T228-L230 PolarHBondContact O-N 3.16Å; T228-K231 WeakPolarHBondContact O-CB 3.29Å; T228-K231 PolarHBondContact O-N 2.85Å; T228-K231 VanDerWaalsContact O-N 3.14Å; T228-E232 WeakPolarHBondContact O-CG 3.42Å; T228-E232 PolarHBondContact O-N 2.82Å
229T98.3Very high96.2Very high50 Ų5065.7 Ų65.731%0.30734%0.343SS..Hα-helixtrans-58.6-42.6175.7-53.90000111.7I198 T225 E232 K233I198-T229 HydrophobicContact CD1-CG2 3.72Å; T225-T229 PolarHBondContact O-N 3.22Å; T225-T229 PolarHBondContact O-OG1 2.94Å; T225-T229 VanDerWaalsContact O-OG1 3.04Å; T229-E232 PolarHBondContact O-N 2.77Å; T229-K233 WeakPolarHBondContact O-CG 3.36Å; T229-K233 PolarHBondContact O-N 3.13Å
230L98.4Very high96.4Very high0 Ų068.3 Ų68.30%035%0.353CS..Hα-helixtrans-62.8-45.7176.3-174.570.5000111.4I193 D195 I198 S203 F214 R226 F227 T228 E232 K233 M234I193-L230 HydrophobicContact CG2-CD1 4.14Å; D195-L230 HydrophobicContact CB-CD1 3.98Å; I198-L230 HydrophobicContact CB-CD1 4.38Å; I198-L230 HydrophobicContact CD1-CB 4.42Å; I198-L230 HydrophobicContact CG1-CB 4.22Å; I198-L230 HydrophobicContact CG1-CD1 3.99Å; I198-L230 HydrophobicContact CG2-CB 3.87Å; I198-L230 HydrophobicContact CG2-CD1 4.29Å; I198-L230 HydrophobicContact CG2-CD2 4.32Å; I198-L230 HydrophobicContact CG2-CG 4.37Å; S203-L230 WeakPolarHBondContact OG-CD2 3.42Å; F214-L230 HydrophobicContact CE1-CD2 4.27Å; F214-L230 HydrophobicContact CZ-CD2 3.75Å; F214-L230 HydrophobicContact CZ-CG 3.92Å; R226-L230 WeakPolarHBondContact O-CB 3.32Å; R226-L230 PolarHBondContact O-N 2.83Å; F227-L230 PolarHBondContact O-N 2.9Å; T228-L230 VanDerWaalsContact C-N 3.32Å; T228-L230 PolarHBondContact O-N 3.16Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.87Å; L230-K233 PolarHBondContact O-N 2.88Å; L230-K233 VanDerWaalsContact O-N 3.16Å; L230-M234 HydrophobicContact CD1-CE 3.97Å; L230-M234 HydrophobicContact CG-CG 4.48Å; L230-M234 VanDerWaalsContact O-CG 3.29Å; L230-M234 WeakPolarHBondContact O-CG 3.42Å; L230-M234 PolarHBondContact O-N 2.73Å
231K97.9Very high96.6Very high49 Ų4965.6 Ų65.621%0.21334%0.338CS..Hα-helixtrans-57.2-41.2178.9-170.8176.863.3175.70111.7F181 F214 F227 T228 M234 F241F181-K231 HydrophobicContact CZ-CD 3.89Å; F214-K231 HydrophobicContact CD1-CB 4.49Å; F214-K231 HydrophobicContact CD1-CG 4.48Å; F214-K231 HydrophobicContact CE1-CB 3.94Å; F214-K231 HydrophobicContact CE1-CG 4.33Å; F227-K231 HydrophobicContact CE1-CD 4.36Å; F227-K231 WeakPolarHBondContact O-CB 3.44Å; F227-K231 PolarHBondContact O-N 3.03Å; T228-K231 WeakPolarHBondContact O-CB 3.29Å; T228-K231 PolarHBondContact O-N 2.85Å; T228-K231 VanDerWaalsContact O-N 3.14Å; K231-M234 PolarHBondContact O-N 2.98Å; K231-F241 HydrophobicContact CD-CD1 4.17Å; K231-F241 HydrophobicContact CD-CD2 4.35Å; K231-F241 HydrophobicContact CD-CE1 4.47Å; K231-F241 HydrophobicContact CD-CG 4.09Å; K231-F241 HydrophobicContact CG-CD1 4.07Å; K231-F241 HydrophobicContact CG-CD2 3.67Å; K231-F241 HydrophobicContact CG-CE1 4.02Å; K231-F241 HydrophobicContact CG-CE2 3.62Å; K231-F241 HydrophobicContact CG-CG 3.89Å; K231-F241 HydrophobicContact CG-CZ 3.8Å; K231-F241 VanDerWaalsContact O-CE2 3.32Å; K231-F241 WeakPolarHBondContact O-CE2 3.04Å
232E97.4Very high96.8Very high124 Ų12457.2 Ų57.258%0.57931%0.308SS*.Hα-helixtrans-64.4-46.6175.1-70164.8-178.800112T228 T229 L230 M234 S235T228-E232 WeakPolarHBondContact O-CG 3.42Å; T228-E232 PolarHBondContact O-N 2.82Å; T229-E232 PolarHBondContact O-N 2.77Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.87Å; E232-M234 PolarHBondContact O-N 2.86Å; E232-S235 WeakPolarHBondContact O-CB 3.39Å; E232-S235 PolarHBondContact O-N 3.02Å; E232-S235 PolarHBondContact O-OG 3.45Å
233K98.2Very high97Very high69 Ų6962.7 Ų62.730%0.333%0.328SS..Hα-helixtrans-58.3-32.2176.2-71.4-176-176.9-1710112.7V83 D195 S197 T229 L230 S235 A236V83-K233 HydrophobicContact CG1-CD 4.14Å; D195-K233 IonicContact OD1-NZ 3.16Å; D195-K233 VanDerWaalsContact OD2-CD 3.32Å; D195-K233 WeakPolarHBondContact OD2-CD 3.42Å; D195-K233 IonicContact OD2-NZ 3.45Å; D195-K233 PolarHBondContact OD2-NZ 2.99Å; S197-K233 PolarHBondContact OG-NZ 2.72Å; T229-K233 WeakPolarHBondContact O-CG 3.36Å; T229-K233 PolarHBondContact O-N 3.13Å; L230-K233 PolarHBondContact O-N 2.88Å; L230-K233 VanDerWaalsContact O-N 3.16Å; K233-S235 PolarHBondContact O-N 2.76Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.84Å; K233-A236 VanDerWaalsContact O-N 3.12Å
234M98.1Very high97.2Very high0 Ų064.1 Ų64.10%034%0.339CS..G310 helixtrans-67-15.4-177.5-70.9-55.394.900113.8V83 I193 F214 L230 K231 E232 A236 F237 Q238 F239 F241V83-M234 HydrophobicContact CG2-CE 3.49Å; V83-M234 VanDerWaalsContact CG2-CE 3.49Å; I193-M234 HydrophobicContact CD1-CG 4.39Å; I193-M234 HydrophobicContact CD1-SD 3.75Å; I193-M234 HydrophobicContact CG1-SD 4.1Å; I193-M234 HydrophobicContact CG2-CE 3.88Å; I193-M234 HydrophobicContact CG2-SD 3.79Å; F214-M234 HydrophobicContact CE2-CG 3.73Å; F214-M234 HydrophobicContact CZ-CG 3.67Å; L230-M234 HydrophobicContact CD1-CE 3.97Å; L230-M234 HydrophobicContact CG-CG 4.48Å; L230-M234 VanDerWaalsContact O-CG 3.29Å; L230-M234 WeakPolarHBondContact O-CG 3.42Å; L230-M234 PolarHBondContact O-N 2.73Å; K231-M234 PolarHBondContact O-N 2.98Å; E232-M234 PolarHBondContact O-N 2.86Å; M234-A236 PolarHBondContact O-N 2.86Å; M234-F237 HydrophobicContact CE-CD2 3.72Å; M234-F237 HydrophobicContact CE-CE2 4.04Å; M234-F237 CarbonylContact O-C 3.36Å; M234-F237 PolarHBondContact O-N 3.44Å; M234-F237 HydrophobicContact SD-CD2 4.3Å; M234-Q238 PolarHBondContact O-N 3.44Å; M234-F239 HydrophobicContact CB-CB 3.77Å; M234-F239 HydrophobicContact CB-CD1 4.2Å; M234-F239 HydrophobicContact CB-CD2 4.19Å; M234-F239 HydrophobicContact CB-CG 3.81Å; M234-F239 HydrophobicContact CG-CD1 4.37Å; M234-F239 HydrophobicContact CG-CG 4.37Å; M234-F239 WeakPolarHBondContact O-CB 3.23Å; M234-F239 PolarHBondContact O-N 2.8Å; M234-F239 VanDerWaalsContact O-N 3.15Å; M234-F239 HydrophobicContact SD-CD2 4.38Å; M234-F239 HydrophobicContact SD-CE2 4.24Å; M234-F239 HydrophobicContact SD-CZ 4.32Å; M234-F241 HydrophobicContact CB-CE2 3.86Å; M234-F241 HydrophobicContact CB-CZ 4Å
235S94.5Very high97.3Very high81 Ų8163.5 Ų63.557%0.56634%0.343SS*.G310 helixtrans-59-33.5169.8-63.30000112.6E232 K233 F237 Q238E232-S235 WeakPolarHBondContact O-CB 3.39Å; E232-S235 PolarHBondContact O-N 3.02Å; E232-S235 PolarHBondContact O-OG 3.45Å; K233-S235 PolarHBondContact O-N 2.76Å; S235-F237 PolarHBondContact O-N 3.41Å; S235-Q238 PolarHBondContact O-N 2.77Å
236A96.1Very high97.1Very high87 Ų8762.9 Ų62.972%0.71933%0.332SS*.G310 helixtrans-66.3-19.9175.800000113.1K233 M234K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.84Å; K233-A236 VanDerWaalsContact O-N 3.12Å; M234-A236 PolarHBondContact O-N 2.86Å
237F97.1Very high97.1Very high20 Ų2063.2 Ų63.29%0.08835%0.345CS..G310 helixtrans-104.919.4179.3-60.3-85.3000112.4V81 V83 M234 S235 F239V81-F237 HydrophobicContact CG1-CB 4.47Å; V81-F237 HydrophobicContact CG1-CD1 3.47Å; V81-F237 VanDerWaalsContact CG1-CD1 3.47Å; V81-F237 HydrophobicContact CG1-CD2 4.09Å; V81-F237 HydrophobicContact CG1-CE1 3.59Å; V81-F237 HydrophobicContact CG1-CE2 4.21Å; V81-F237 HydrophobicContact CG1-CG 3.73Å; V81-F237 HydrophobicContact CG1-CZ 3.98Å; V83-F237 HydrophobicContact CB-CE2 4.42Å; V83-F237 HydrophobicContact CB-CZ 4.44Å; V83-F237 HydrophobicContact CG1-CE2 4.14Å; V83-F237 HydrophobicContact CG1-CZ 4.42Å; V83-F237 HydrophobicContact CG2-CE2 4.13Å; V83-F237 HydrophobicContact CG2-CZ 4.39Å; M234-F237 HydrophobicContact CE-CD2 3.72Å; M234-F237 HydrophobicContact CE-CE2 4.04Å; M234-F237 CarbonylContact O-C 3.36Å; M234-F237 PolarHBondContact O-N 3.44Å; M234-F237 HydrophobicContact SD-CD2 4.3Å; S235-F237 PolarHBondContact O-N 3.41Å; F237-F239 VanDerWaalsContact C-N 3.26Å; F237-F239 HydrophobicContact CB-CD2 3.87Å; F237-F239 HydrophobicContact CB-CE2 3.94Å; F237-F239 WeakPolarHBondContact O-CD2 3.29Å; F237-F239 PolarHBondContact O-N 3.21Å
238Q94.9Very high96.9Very high158 Ų15864.8 Ų64.874%0.73835%0.352SS*.THydrogen-bonded Turntrans63.225.5177.7-51.4175.4-5300114.3M234 S235M234-Q238 PolarHBondContact O-N 3.44Å; S235-Q238 PolarHBondContact O-N 2.77Å
239F98Very high96.7Very high8 Ų870.9 Ų70.94%0.03538%0.375CS..  trans-76.5135.1170.3-73-126.9000109.3K79 V81 F189 S191 I193 F212 F214 M234 F237 F241K79-F239 HydrophobicContact CD-CE2 4.43Å; V81-F239 HydrophobicContact CG2-CE2 4.21Å; V81-F239 HydrophobicContact CG2-CZ 4.37Å; F189-F239 HydrophobicContact CE2-CD1 4.47Å; F189-F239 AromaticContact CE2-CE1 3.8Å; F189-F239 HydrophobicContact CE2-CE1 3.8Å; F189-F239 HydrophobicContact CE2-CE2 4.29Å; F189-F239 AromaticContact CE2-CZ 3.69Å; F189-F239 HydrophobicContact CE2-CZ 3.69Å; F189-F239 HydrophobicContact CZ-CD1 4.18Å; F189-F239 AromaticContact CZ-CE1 3.97Å; F189-F239 HydrophobicContact CZ-CE1 3.97Å; F189-F239 HydrophobicContact CZ-CE2 4.33Å; F189-F239 HydrophobicContact CZ-CG 4.45Å; F189-F239 HydrophobicContact CZ-CZ 4.04Å; S191-F239 WeakPolarHBondContact OG-CZ 3.15Å; I193-F239 HydrophobicContact CD1-CE1 3.86Å; I193-F239 HydrophobicContact CD1-CZ 3.99Å; I193-F239 HydrophobicContact CG1-CZ 4.29Å; F212-F239 AromaticContact CE1-CD1 3.88Å; F212-F239 HydrophobicContact CE1-CD1 3.88Å; F212-F239 AromaticContact CZ-CD1 3.57Å; F212-F239 HydrophobicContact CZ-CD1 3.57Å; F212-F239 AromaticContact CZ-CE1 3.86Å; F212-F239 HydrophobicContact CZ-CE1 3.86Å; F214-F239 HydrophobicContact CD2-CD1 4.34Å; F214-F239 HydrophobicContact CD2-CE1 4.42Å; F214-F239 HydrophobicContact CE2-CD1 4.28Å; F214-F239 HydrophobicContact CE2-CE1 4.3Å; M234-F239 HydrophobicContact CB-CB 3.77Å; M234-F239 HydrophobicContact CB-CD1 4.2Å; M234-F239 HydrophobicContact CB-CD2 4.19Å; M234-F239 HydrophobicContact CB-CG 3.81Å; M234-F239 HydrophobicContact CG-CD1 4.37Å; M234-F239 HydrophobicContact CG-CG 4.37Å; M234-F239 WeakPolarHBondContact O-CB 3.23Å; M234-F239 PolarHBondContact O-N 2.8Å; M234-F239 VanDerWaalsContact O-N 3.15Å; M234-F239 HydrophobicContact SD-CD2 4.38Å; M234-F239 HydrophobicContact SD-CE2 4.24Å; M234-F239 HydrophobicContact SD-CZ 4.32Å; F237-F239 VanDerWaalsContact C-N 3.26Å; F237-F239 HydrophobicContact CB-CD2 3.87Å; F237-F239 HydrophobicContact CB-CE2 3.94Å; F237-F239 WeakPolarHBondContact O-CD2 3.29Å; F237-F239 PolarHBondContact O-N 3.21Å; F239-F241 HydrophobicContact CB-CE2 3.66Å; F239-F241 HydrophobicContact CB-CZ 3.72Å; F239-F241 HydrophobicContact CD1-CZ 4.03Å; F239-F241 HydrophobicContact CG-CZ 4.33Å
240Q96.9Very high96.5Very high87 Ų8770 Ų7041%0.40737%0.37SS..  trans-112.3122.9-178.9-59.2-173.516.300109.9K184 H185K184-Q240 HydrophobicContact CB-CB 4.21Å; K184-Q240 PolarHBondContact O-OE1 3.42Å; H185-Q240 PolarHBondContact CE1-O 2.68Å; H185-Q240 PolarHBondContact NE2-N 2.79Å
241F97.2Very high96.3Very high48 Ų4871.2 Ų71.221%0.21138%0.378CS..  trans-116.3127.1178.2-56.6-74.9000109.8F181 F212 F214 K231 M234 F239F181-F241 HydrophobicContact CD1-CB 4.25Å; F181-F241 AromaticContact CD2-CD1 3.84Å; F181-F241 HydrophobicContact CD2-CD1 3.84Å; F181-F241 HydrophobicContact CE1-CB 4.14Å; F181-F241 HydrophobicContact CE1-CD1 4.34Å; F181-F241 AromaticContact CE2-CD1 3.65Å; F181-F241 HydrophobicContact CE2-CD1 3.65Å; F181-F241 HydrophobicContact CE2-CE1 4.19Å; F181-F241 HydrophobicContact CG-CD1 4.29Å; F181-F241 HydrophobicContact CZ-CB 4.47Å; F181-F241 AromaticContact CZ-CD1 3.9Å; F181-F241 HydrophobicContact CZ-CD1 3.9Å; F212-F241 HydrophobicContact CD1-CD1 4.38Å; F212-F241 HydrophobicContact CD1-CE1 4.17Å; F212-F241 HydrophobicContact CE1-CD1 4.34Å; F212-F241 AromaticContact CE1-CE1 3.73Å; F212-F241 HydrophobicContact CE1-CE1 3.73Å; F212-F241 HydrophobicContact CE1-CZ 4.37Å; F214-F241 HydrophobicContact CB-CE1 3.8Å; F214-F241 HydrophobicContact CD1-CE1 4.05Å; F214-F241 HydrophobicContact CD1-CZ 4.3Å; F214-F241 AromaticContact CD2-CE1 3.88Å; F214-F241 HydrophobicContact CD2-CE1 3.88Å; F214-F241 AromaticContact CD2-CZ 3.93Å; F214-F241 HydrophobicContact CD2-CZ 3.93Å; F214-F241 HydrophobicContact CE1-CZ 4.43Å; F214-F241 HydrophobicContact CE2-CE1 4.45Å; F214-F241 HydrophobicContact CE2-CZ 4.05Å; F214-F241 AromaticContact CG-CE1 3.65Å; F214-F241 HydrophobicContact CG-CE1 3.65Å; F214-F241 HydrophobicContact CG-CZ 4.05Å; F214-F241 HydrophobicContact CZ-CZ 4.3Å; K231-F241 HydrophobicContact CD-CD1 4.17Å; K231-F241 HydrophobicContact CD-CD2 4.35Å; K231-F241 HydrophobicContact CD-CE1 4.47Å; K231-F241 HydrophobicContact CD-CG 4.09Å; K231-F241 HydrophobicContact CG-CD1 4.07Å; K231-F241 HydrophobicContact CG-CD2 3.67Å; K231-F241 HydrophobicContact CG-CE1 4.02Å; K231-F241 HydrophobicContact CG-CE2 3.62Å; K231-F241 HydrophobicContact CG-CG 3.89Å; K231-F241 HydrophobicContact CG-CZ 3.8Å; K231-F241 VanDerWaalsContact O-CE2 3.32Å; K231-F241 WeakPolarHBondContact O-CE2 3.04Å; M234-F241 HydrophobicContact CB-CE2 3.86Å; M234-F241 HydrophobicContact CB-CZ 4Å; F239-F241 HydrophobicContact CB-CE2 3.66Å; F239-F241 HydrophobicContact CB-CZ 3.72Å; F239-F241 HydrophobicContact CD1-CZ 4.03Å; F239-F241 HydrophobicContact CG-CZ 4.33Å
242G95.4Very high96.1Very high22 Ų2269.6 Ų69.623%0.22737%0.372CS..  trans-87.6-159.1166.600000112.2F181F181-G242 VanDerWaalsContact CD1-O 3.22Å; F181-G242 WeakPolarHBondContact CD1-O 3.44Å; F181-G242 WeakPolarHBondContact CE1-O 3.2Å
243K97.1Very high95.8Very high192 Ų19264.2 Ų64.284%0.83535%0.347SS*.  trans-66.7133.2164.2-174.5177.9178.7-1790108.9V245K243-V245 PolarHBondContact O-N 3.2Å
244A97.9Very high95.5Very high33 Ų3362 Ų6227%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-66.2126173.400000109.5Q179 W180 F181Q179-A244 HydrophobicContact CB-CB 4.41Å; W180-A244 CarbonylContact O-C 3.54Å; W180-A244 WeakPolarHBondContact O-CA 3.43Å; F181-A244 HydrophobicContact CD1-CB 4.29Å; F181-A244 HydrophobicContact CE1-CB 3.8Å; F181-A244 HydrophobicContact CZ-CB 4.32Å
245V97.6Very high95.1Very high93 Ų9363.3 Ų63.356%0.56435%0.346SS*.EExtended strand (participates in β ladder)trans-92.3-24.8177.6-62.50000112.1W180 Y211 K243W180-V245 HydrophobicContact CB-CG2 3.84Å; W180-V245 WeakPolarHBondContact O-CG2 3.38Å; W180-V245 PolarHBondContact O-N 3.19Å; Y211-V245 HydrophobicContact CD1-CG2 3.96Å; Y211-V245 HydrophobicContact CE1-CG2 3.82Å; K243-V245 PolarHBondContact O-N 3.2Å
246K95.5Very high94.8Very high85 Ų8563.7 Ų63.737%0.3735%0.349SS..EExtended strand (participates in β ladder)trans-149.5142.4178-175.6173.656.6155.10109.6Q179 W180 E248Q179-K246 CarbonylContact C-O 3.39Å; Q179-K246 WeakPolarHBondContact CA-O 3.25Å; W180-K246 HydrophobicContact CB-CB 4.05Å; W180-K246 VanDerWaalsContact CD1-CE 3.47Å; W180-K246 VanDerWaalsContact CD2-CE 3.49Å; W180-K246 VanDerWaalsContact CE2-NZ 3.29Å; W180-K246 HydrophobicContact CG-CB 4.13Å; W180-K246 VanDerWaalsContact CZ2-NZ 3.31Å; W180-K246 PolarHBondContact N-O 3.36Å; W180-K246 VanDerWaalsContact NE1-CE 3.29Å; K246-E248 HydrophobicContact CD-CG 4.19Å; K246-E248 VanDerWaalsContact CE-OE1 3.28Å; K246-E248 WeakPolarHBondContact CE-OE1 3.34Å; K246-E248 HydrophobicContact CG-CG 4.07Å; K246-E248 IonicContact NZ-OE1 2.8Å; K246-E248 PolarHBondContact NZ-OE1 3.02Å
247S96.1Very high94.5Very high78 Ų7865.8 Ų65.855%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-128.5133.3172.8-63.60000109.2Q178 Q179Q178-S247 CarbonylContact O-C 3.58Å; Q178-S247 WeakPolarHBondContact O-CA 3.43Å; Q179-S247 PolarHBondContact NE2-OG 3.27Å
248E94.8Very high94Very high32 Ų3275.3 Ų75.315%0.1537%0.374CS..EExtended strand (participates in β ladder)trans-130.8145.9-175.2-59169.5143.100109.5P45 Q178 W180 K246P45-E248 HydrophobicContact CB-CB 3.66Å; P45-E248 HydrophobicContact CB-CG 4.3Å; P45-E248 HydrophobicContact CG-CB 4.19Å; Q178-E248 PolarHBondContact N-O 3.14Å; Q178-E248 PolarHBondContact NE2-OE2 3.15Å; Q178-E248 PolarHBondContact O-N 3.09Å; W180-E248 PolarHBondContact NE1-OE2 2.86Å; K246-E248 HydrophobicContact CD-CG 4.19Å; K246-E248 VanDerWaalsContact CE-OE1 3.28Å; K246-E248 WeakPolarHBondContact CE-OE1 3.34Å; K246-E248 HydrophobicContact CG-CG 4.07Å; K246-E248 IonicContact NZ-OE1 2.8Å; K246-E248 PolarHBondContact NZ-OE1 3.02Å
249K94.3Very high93.6Very high172 Ų17273.7 Ų73.775%0.74837%0.366SS*.EExtended strand (participates in β ladder)trans-138142.6174.264.8-174.6178.4-174.60111.6V175 A176V175-K249 HydrophobicContact CG2-CB 4.19Å; A176-K249 CarbonylContact O-C 3.52Å; A176-K249 WeakPolarHBondContact O-CA 3.31Å
250C93.7Very high93.2Very high31 Ų3173.7 Ų73.721%0.20937%0.367CS..EExtended strand (participates in β ladder)trans-146.5157169.872.70000112.1P45 A176P45-C250 HydrophobicContact CG-CB 3.61Å; A176-C250 PolarHBondContact N-O 3.05Å; A176-C250 PolarHBondContact O-N 3.26Å
251T94Very high92.6Very high26 Ų2674.2 Ų74.216%0.1637%0.368CS..EExtended strand (participates in β ladder)trans-75.7136172.4-51.50000109.7A157 N158 K173 Y174A157-T251 HydrophobicContact CB-CG2 4.41Å; A157-T251 WeakPolarHBondContact CB-O 3.31Å; N158-T251 PolarHBondContact ND2-OG1 2.68Å; N158-T251 VanDerWaalsContact ND2-OG1 3.14Å; N158-T251 WeakPolarHBondContact OD1-CB 3.42Å; N158-T251 PolarHBondContact OD1-OG1 3.19Å; K173-T251 HydrophobicContact CB-CG2 4.31Å; K173-T251 HydrophobicContact CD-CG2 4.39Å; Y174-T251 WeakPolarHBondContact O-CA 3.35Å
252V92.4Very high91.9Very high15 Ų1574.8 Ų74.89%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-117.5132.3170.3179.60000108.2K173 Y174 A176 C281K173-V252 WeakPolarHBondContact CA-O 3.14Å; Y174-V252 PolarHBondContact N-O 3.17Å; Y174-V252 PolarHBondContact O-N 3.09Å; A176-V252 HydrophobicContact CB-CG2 3.68Å; V252-C281 HydrophobicContact CG1-CB 4.19Å
253L92.7Very high90.5Very high12 Ų1278 Ų786%0.06339%0.393CS..EExtended strand (participates in β ladder)trans-87.5136.5168.6-62.8-174.8000109.2A157 I171 K173A157-L253 HydrophobicContact CB-CG 4.05Å; I171-L253 HydrophobicContact CB-CD2 4.4Å; I171-L253 HydrophobicContact CD1-CD1 4.14Å; I171-L253 HydrophobicContact CG2-CB 4.15Å; K173-L253 HydrophobicContact CD-CD2 4.42Å; K173-L253 HydrophobicContact CG-CD2 3.87Å
254F90.7Very high88.5Confident21 Ų2169.8 Ų69.89%0.09236%0.361CS..  trans-124.677.6-178.9-165.5-96.3000109.1R172 Y174 S256 C281R172-F254 PolarHBondContact O-N 3.16Å; Y174-F254 HydrophobicContact CD2-CB 3.8Å; Y174-F254 HydrophobicContact CD2-CG 4.35Å; Y174-F254 HydrophobicContact CE2-CB 3.87Å; Y174-F254 HydrophobicContact CE2-CD1 4.28Å; Y174-F254 HydrophobicContact CE2-CG 4.05Å; F254-S256 PolarHBondContact O-N 3.48Å; F254-C281 HydrophobicContact CD2-CB 4.2Å; F254-C281 HydrophobicContact CE2-CB 4.36Å
255P90.5Very high85.9Confident28 Ų2872.7 Ų72.718%0.18238%0.377CS..  trans-63136175.630.8-36.1000109.3I171 D260 F261 F280I171-P255 HydrophobicContact CG2-CB 4.28Å; P255-D260 VanDerWaalsContact CA-OD2 3.24Å; P255-D260 WeakPolarHBondContact CA-OD2 3.2Å; P255-D260 HydrophobicContact CB-CB 3.62Å; P255-F261 HydrophobicContact CB-CE2 3.98Å; P255-F261 HydrophobicContact CB-CZ 3.97Å; P255-F261 HydrophobicContact CG-CE2 4.28Å; P255-F261 HydrophobicContact CG-CZ 3.8Å; P255-F280 VanDerWaalsContact CD-CE1 3.47Å; P255-F280 HydrophobicContact CG-CD1 3.55Å; P255-F280 HydrophobicContact CG-CE1 3.35Å; P255-F280 HydrophobicContact CG-CZ 4.15Å
256S88.1Confident83Confident89 Ų8973.4 Ų73.462%0.62238%0.381SS*.  trans-123.1-6.3-177.950.90000113.3F254 D260F254-S256 PolarHBondContact O-N 3.48Å; S256-D260 PolarHBondContact N-OD2 3.06Å
257R88.7Confident80.1Confident132 Ų13281.2 Ų81.250%0.49841%0.408SS..SBendtrans-144.6157-179.158.9178.8177.7162.4-1.7111.1Q259 D260R257-Q259 HydrophobicContact CG-CB 4.36Å; R257-Q259 PolarHBondContact O-N 3.32Å; R257-D260 HydrophobicContact CG-CB 4.46Å; R257-D260 VanDerWaalsContact CG-CG 3.47Å; R257-D260 WeakPolarHBondContact CG-OD1 3.46Å; R257-D260 WeakPolarHBondContact CG-OD2 3.43Å; R257-D260 IonicContact CZ-OD1 2.63Å; R257-D260 PolarHBondContact N-OD2 2.9Å; R257-D260 IonicContact NE-OD1 3.86Å; R257-D260 PolarHBondContact NE-OD1 3.01Å; R257-D260 IonicContact NH2-OD1 3.88Å; R257-D260 VanDerWaalsContact O-CB 3.29Å; R257-D260 WeakPolarHBondContact O-CB 3.29Å; R257-D260 PolarHBondContact O-N 2.71Å
258W87.5Confident77.5Confident220 Ų22082.8 Ų82.883%0.83340%0.402SS*.G310 helixtrans-57.9-34.4179.5-75.8111.1000113.2D260 F261W258-D260 PolarHBondContact O-N 3.38Å; W258-D260 VanDerWaalsContact O-N 3.15Å; W258-F261 HydrophobicContact CE3-CD2 4.44Å; W258-F261 WeakPolarHBondContact O-CB 3.44Å; W258-F261 PolarHBondContact O-N 2.93Å
259Q87.1Confident74.5Confident123 Ų12391 Ų9158%0.57543%0.432SS*.G310 helixtrans-63.2-19.4177.4-62.381.42.500112.6H169 R257 F261H169-Q259 PolarHBondContact CE1-O 3.12Å; H169-Q259 PolarHBondContact NE2-O 2.64Å; R257-Q259 HydrophobicContact CG-CB 4.36Å; R257-Q259 PolarHBondContact O-N 3.32Å; Q259-F261 PolarHBondContact O-N 2.81Å
260D88.5Confident71.4Confident9 Ų984.2 Ų84.25%0.04841%0.411CS..G310 helixtrans-68-21.7175.3-62.3-21.4000111.6H169 I171 P255 S256 R257 W258 V262H169-D260 WeakPolarHBondContact NE2-CA 3.29Å; H169-D260 PolarHBondContact NE2-O 3.36Å; H169-D260 VanDerWaalsContact NE2-O 3.16Å; I171-D260 HydrophobicContact CG1-CB 4.26Å; P255-D260 VanDerWaalsContact CA-OD2 3.24Å; P255-D260 WeakPolarHBondContact CA-OD2 3.2Å; P255-D260 HydrophobicContact CB-CB 3.62Å; S256-D260 PolarHBondContact N-OD2 3.06Å; R257-D260 HydrophobicContact CG-CB 4.46Å; R257-D260 VanDerWaalsContact CG-CG 3.47Å; R257-D260 WeakPolarHBondContact CG-OD1 3.46Å; R257-D260 WeakPolarHBondContact CG-OD2 3.43Å; R257-D260 IonicContact CZ-OD1 2.63Å; R257-D260 PolarHBondContact N-OD2 2.9Å; R257-D260 IonicContact NE-OD1 3.86Å; R257-D260 PolarHBondContact NE-OD1 3.01Å; R257-D260 IonicContact NH2-OD1 3.88Å; R257-D260 VanDerWaalsContact O-CB 3.29Å; R257-D260 WeakPolarHBondContact O-CB 3.29Å; R257-D260 PolarHBondContact O-N 2.71Å; W258-D260 PolarHBondContact O-N 3.38Å; W258-D260 VanDerWaalsContact O-N 3.15Å; D260-V262 PolarHBondContact O-N 3.43Å
261F85.6Confident68.4Low98 Ų9889.3 Ų89.343%0.4344%0.435SS..SBendtrans-92.892.5172-57.2-88.4000109.5P255 W258 Q259 C263 F280P255-F261 HydrophobicContact CB-CE2 3.98Å; P255-F261 HydrophobicContact CB-CZ 3.97Å; P255-F261 HydrophobicContact CG-CE2 4.28Å; P255-F261 HydrophobicContact CG-CZ 3.8Å; W258-F261 HydrophobicContact CE3-CD2 4.44Å; W258-F261 WeakPolarHBondContact O-CB 3.44Å; W258-F261 PolarHBondContact O-N 2.93Å; Q259-F261 PolarHBondContact O-N 2.81Å; F261-C263 PolarHBondContact O-N 3.05Å; F261-C263 VanDerWaalsContact O-N 3.11Å; F261-F280 HydrophobicContact CE1-CE2 4.21Å; F261-F280 AromaticContact CE1-CZ 3.86Å; F261-F280 HydrophobicContact CE1-CZ 3.86Å; F261-F280 HydrophobicContact CZ-CZ 4.4Å
262V81.6Confident65.2Low60 Ų6089.6 Ų89.636%0.36444%0.441SS..  trans-77.4103.3176.8-171.30000109.3Y166 H169 D260Y166-V262 HydrophobicContact CD1-CB 4.37Å; Y166-V262 HydrophobicContact CD1-CG1 3.84Å; Y166-V262 HydrophobicContact CE1-CB 4.12Å; Y166-V262 HydrophobicContact CE1-CG1 3.39Å; Y166-V262 HydrophobicContact CE2-CB 4.28Å; Y166-V262 HydrophobicContact CE2-CG1 4.38Å; H169-V262 VanDerWaalsContact CD2-CG2 3.4Å; H169-V262 WeakPolarHBondContact CD2-CG2 3.11Å; H169-V262 WeakPolarHBondContact NE2-CG2 3.42Å; D260-V262 PolarHBondContact O-N 3.43Å
263C67.3Low62.1Low90 Ų9093.5 Ų93.561%0.60846%0.459SS*.PPolyproline II helixtrans-78118.4163.8-65.90000107.4F261 M273F261-C263 PolarHBondContact O-N 3.05Å; F261-C263 VanDerWaalsContact O-N 3.11Å; C263-M273 HydrophobicContact CB-CE 4.15Å; C263-M273 HydrophobicContact CB-SD 4.04Å
264A54.4Low58.8Low18 Ų18104.1 Ų104.115%0.14950%0.498CS..PPolyproline II helixtrans-55.3146.6169.400000109.5W268 M273A264-W268 HydrophobicContact CB-CB 3.4Å; A264-W268 VanDerWaalsContact CB-CB 3.4Å; A264-W268 HydrophobicContact CB-CD2 4.13Å; A264-W268 HydrophobicContact CB-CG 3.44Å; A264-W268 VanDerWaalsContact CB-CG 3.44Å; A264-M273 HydrophobicContact CB-CE 4.23Å
265P42Very low55.9Low94 Ų94109.1 Ų109.161%0.6152%0.517SS*.PPolyproline II helixtrans-49.5155.7179-23.828.4000111.8R267 W268P265-R267 PolarHBondContact O-N 2.93Å; P265-W268 WeakPolarHBondContact O-CB 3.47Å; P265-W268 PolarHBondContact O-N 2.98Å
266V37Very low53Low109 Ų109112.4 Ų112.466%0.66153%0.532SS*.G310 helixtrans-49.5-22.8-170.8175.40000115.1W268 R269V266-W268 PolarHBondContact O-N 3.06Å; V266-W268 VanDerWaalsContact O-N 3.08Å; V266-R269 PolarHBondContact O-N 2.94Å
267R35Very low50.1Low248 Ų248111.5 Ų111.594%0.93653%0.53SS*.G310 helixtrans-62.1-10.8173.2-145.7174.8-174.3-175.60.5115P265P265-R267 PolarHBondContact O-N 2.93Å
268W41.7Very low47.3Very low112 Ų112110.5 Ų110.542%0.42453%0.531SS..G310 helixtrans-106.410.8-175.7-62.393.4000114.2W133 A264 P265 V266 G270W133-W268 HydrophobicContact CH2-CH2 4.49Å; W133-W268 AromaticContact CZ2-CH2 3.79Å; W133-W268 HydrophobicContact CZ2-CH2 3.79Å; W133-W268 AromaticContact CZ2-CZ3 3.74Å; W133-W268 HydrophobicContact CZ2-CZ3 3.74Å; A264-W268 HydrophobicContact CB-CB 3.4Å; A264-W268 VanDerWaalsContact CB-CB 3.4Å; A264-W268 HydrophobicContact CB-CD2 4.13Å; A264-W268 HydrophobicContact CB-CG 3.44Å; A264-W268 VanDerWaalsContact CB-CG 3.44Å; P265-W268 WeakPolarHBondContact O-CB 3.47Å; P265-W268 PolarHBondContact O-N 2.98Å; V266-W268 PolarHBondContact O-N 3.06Å; V266-W268 VanDerWaalsContact O-N 3.08Å; W268-G270 PolarHBondContact O-N 2.92Å
269R31.9Very low44.5Very low203 Ų203101.7 Ų101.777%0.76650%0.501SS*.  trans-74.556.6-179.7-69.7-172.4178.9-1612.3112.9V266V266-R269 PolarHBondContact O-N 2.94Å
270G30.2Very low41.9Very low30 Ų3099.8 Ų99.831%0.30949%0.491SS..SBendtrans-106.794.1167.200000110.1W268 A272W268-G270 PolarHBondContact O-N 2.92Å; G270-A272 PolarHBondContact O-N 3.41Å
271L29.6Very low39Very low138 Ų138100.4 Ų100.472%0.72350%0.496SS*.SBendtrans52.8-23.8163.7-122.776.6000121.5L22 M273L22-L271 HydrophobicContact CD2-CD2 4.28Å; L271-M273 PolarHBondContact O-N 2.56Å
272A27.7Very low36.2Very low33 Ų33100.1 Ų100.127%0.27350%0.502SS..G310 helixtrans-79.1-22.2-163.600000114.9V152 G270 R274V152-A272 HydrophobicContact CG2-CB 4.27Å; G270-A272 PolarHBondContact O-N 3.41Å; A272-R274 PolarHBondContact O-N 2.94Å
273M26.2Very low33.4Very low97 Ų97104.2 Ų104.248%0.47851%0.511SS..G310 helixtrans-77.7-14.4-169.1-94.8-163.6-112.900115.8C263 A264 L271 W275C263-M273 HydrophobicContact CB-CE 4.15Å; C263-M273 HydrophobicContact CB-SD 4.04Å; A264-M273 HydrophobicContact CB-CE 4.23Å; L271-M273 PolarHBondContact O-N 2.56Å; M273-W275 VanDerWaalsContact C-N 3.27Å; M273-W275 PolarHBondContact O-N 2.71Å
274R24.2Very low31.4Very low234 Ų234102.7 Ų102.788%0.88350%0.501SS*.G310 helixtrans-76.8-4.7-178-80.2-172178.2-129.91.6114.9A272A272-R274 PolarHBondContact O-N 2.94Å
275W28.2Very low30Very low127 Ų127114.2 Ų114.248%0.48154%0.542SS..SBendtrans-125.13.5-164.8-67102.9000117.9A14 M273 A277A14-W275 WeakPolarHBondContact CB-O 3.37Å; M273-W275 VanDerWaalsContact C-N 3.27Å; M273-W275 PolarHBondContact O-N 2.71Å; W275-A277 PolarHBondContact O-N 3.32Å
276I30.1Very low29.4Very low96 Ų96115.3 Ų115.349%0.49254%0.539SS..  trans-86.8-1.6-169.3-68.1175.7000115.8Q278I276-Q278 PolarHBondContact O-N 2.9Å
277A27.9Very low29Very low71 Ų71115.6 Ų115.659%0.58753%0.532SS*.  trans-86.567.6-171.500000115.5W275 F280W275-A277 PolarHBondContact O-N 3.32Å; A277-F280 HydrophobicContact CB-CD2 4.34Å; A277-F280 HydrophobicContact CB-CE2 3.93Å
278Q29.6Very low28.6Very low110 Ų110108.2 Ų108.251%0.51451%0.51SS..  trans-140.961.6166.9-72.3-165.52.700113.7I276I276-Q278 PolarHBondContact O-N 2.9Å
279T29.7Very low27.9Very low35 Ų35108 Ų10822%0.21552%0.515CS..  trans-156.260.1151-44.50000109.4K44 A157K44-T279 PolarHBondContact NZ-OG1 2.69Å; A157-T279 HydrophobicContact CB-CG2 4.38Å
280F30.9Very low27.6Very low84 Ų84102.1 Ų102.137%0.36850%0.499SS..BIsolated β-bridgetrans-117.4128.9176.4-60.8-57.3000110.1P255 F261 A277 V282P255-F280 VanDerWaalsContact CD-CE1 3.47Å; P255-F280 HydrophobicContact CG-CD1 3.55Å; P255-F280 HydrophobicContact CG-CE1 3.35Å; P255-F280 HydrophobicContact CG-CZ 4.15Å; F261-F280 HydrophobicContact CE1-CE2 4.21Å; F261-F280 AromaticContact CE1-CZ 3.86Å; F261-F280 HydrophobicContact CE1-CZ 3.86Å; F261-F280 HydrophobicContact CZ-CZ 4.4Å; A277-F280 HydrophobicContact CB-CD2 4.34Å; A277-F280 HydrophobicContact CB-CE2 3.93Å; F280-V282 PolarHBondContact O-N 3.18Å; F280-V282 VanDerWaalsContact O-N 3.13Å
281C27.5Very low27.4Very low21 Ų21106.9 Ų106.914%0.14251%0.512CS..  trans-68.9103.5164.5-167.10000106.5V252 F254 R283V252-C281 HydrophobicContact CG1-CB 4.19Å; F254-C281 HydrophobicContact CD2-CB 4.2Å; F254-C281 HydrophobicContact CE2-CB 4.36Å; C281-R283 PolarHBondContact O-N 3.15Å
282V27.4Very low27.3Very low92 Ų92104.6 Ų104.656%0.55850%0.497SS*.  trans-67.5120.7-179.2-1730000108Y202 F280 C284Y202-V282 VanDerWaalsContact CE1-O 3.26Å; Y202-V282 WeakPolarHBondContact CE1-O 3.43Å; F280-V282 PolarHBondContact O-N 3.18Å; F280-V282 VanDerWaalsContact O-N 3.13Å; V282-C284 PolarHBondContact O-N 3.24Å; V282-C284 VanDerWaalsContact O-N 3.15Å
283R23.3Very low27.2Very low146 Ų146110.2 Ų110.255%0.55151%0.514SS*.  trans-72101.1166.3-147.4179.8-167.6-158.72.1105.7C281 Y285C281-R283 PolarHBondContact O-N 3.15Å; R283-Y285 PolarHBondContact NH1-OH 3.28Å; R283-Y285 PolarHBondContact O-N 3.28Å
284C24Very low27.3Very low58 Ų58111.3 Ų111.339%0.39252%0.517SS..  trans-73.3115.2167.5-620000106.6V282V282-C284 PolarHBondContact O-N 3.24Å; V282-C284 VanDerWaalsContact O-N 3.15Å
285Y25.1Very low27.6Very low261 Ų261100.1 Ų100.1100%1.02448%0.484SS*.  trans-76.50155.4-70.4-79.9000108.5R283R283-Y285 PolarHBondContact NH1-OH 3.28Å; R283-Y285 PolarHBondContact O-N 3.28Å

Retrieved 285 of 285 residues in 139.3 ms (Link to these results)

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