A0A077ZC99_TRITR Loading...

Kinesin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.4Confident91.6Very high67 Ų6755.5 Ų55.533%0.3329%0.287SS..  0-52.80-171.4172.4-78.100111.5N3 S4 F5 C11 T12 V13 L126 V199M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.26Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 2.88Å; M1-F5 PolarHBondContact O-N 3.5Å; M1-C11 HydrophobicContact CG-CB 3.73Å; M1-C11 HydrophobicContact SD-CB 3.91Å; M1-T12 WeakPolarHBondContact CE-O 3.44Å; M1-V13 HydrophobicContact CE-CG2 3.69Å; M1-V13 HydrophobicContact SD-CG2 3.19Å; M1-V13 WeakPolarHBondContact SD-CG2 3.41Å; M1-L126 HydrophobicContact CG-CD1 4.41Å; M1-L126 HydrophobicContact SD-CD1 3.85Å; M1-V199 HydrophobicContact CE-CB 3.63Å; M1-V199 HydrophobicContact CE-CG2 3.33Å
2C87.9Confident92.1Very high78 Ų7850.8 Ų50.853%0.52726%0.263SS..Hα-helixtrans-52.9-45.4178.2-53.90000112.8S4 F5 F6C2-S4 VanDerWaalsContact C-N 3.33Å; C2-S4 PolarHBondContact O-N 3.36Å; C2-F5 WeakPolarHBondContact O-CA 3.39Å; C2-F5 WeakPolarHBondContact O-CB 3.49Å; C2-F5 PolarHBondContact O-N 2.95Å; C2-F6 HydrophobicContact CB-CD2 4.49Å; C2-F6 HydrophobicContact CB-CE2 4.4Å; C2-F6 WeakPolarHBondContact O-CD2 3.32Å; C2-F6 PolarHBondContact O-N 3.02Å
3N91.2Very high92.5Very high123 Ų12348.6 Ų48.666%0.65825%0.253SS*.Hα-helixtrans-55.4-46.4175.6-61.92.4000112.3M1 F5 F6 E7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.26Å; N3-F5 VanDerWaalsContact C-N 3.32Å; N3-F5 PolarHBondContact O-N 3.18Å; N3-F6 PolarHBondContact O-N 3.35Å; N3-E7 WeakPolarHBondContact O-CB 3.45Å; N3-E7 VanDerWaalsContact O-CG 3.27Å; N3-E7 WeakPolarHBondContact O-CG 3.3Å; N3-E7 PolarHBondContact O-N 2.69Å
4S92.8Very high92.7Very high29 Ų2945.6 Ų45.620%0.20324%0.237CC..Hα-helixtrans-62.9-38176.6-50.60000112.2M1 C2 E7 G8 Y9M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 2.88Å; C2-S4 VanDerWaalsContact C-N 3.33Å; C2-S4 PolarHBondContact O-N 3.36Å; S4-E7 PolarHBondContact O-N 3.45Å; S4-G8 PolarHBondContact O-N 2.88Å; S4-Y9 WeakPolarHBondContact O-CB 3.36Å; S4-Y9 WeakPolarHBondContact O-CD2 3.5Å; S4-Y9 PolarHBondContact O-N 3.04Å
5F93.3Very high93Very high8 Ų842.5 Ų42.54%0.03522%0.221CC..Hα-helixtrans-62-47.8174.4176.3-117.1000111.4M1 C2 N3 E7 G8 F44 I116 M118 L126M1-F5 PolarHBondContact O-N 3.5Å; C2-F5 WeakPolarHBondContact O-CA 3.39Å; C2-F5 WeakPolarHBondContact O-CB 3.49Å; C2-F5 PolarHBondContact O-N 2.95Å; N3-F5 VanDerWaalsContact C-N 3.32Å; N3-F5 PolarHBondContact O-N 3.18Å; F5-E7 VanDerWaalsContact C-N 3.3Å; F5-E7 PolarHBondContact O-N 3.01Å; F5-G8 WeakPolarHBondContact O-CA 3.46Å; F5-G8 PolarHBondContact O-N 3.3Å; F5-F44 HydrophobicContact CE1-CE1 4.08Å; F5-F44 HydrophobicContact CZ-CE1 4.43Å; F5-I116 HydrophobicContact CZ-CG2 4.28Å; F5-M118 HydrophobicContact CE1-CB 3.92Å; F5-M118 HydrophobicContact CE2-CB 4.04Å; F5-M118 HydrophobicContact CZ-CB 3.42Å; F5-M118 VanDerWaalsContact CZ-CB 3.42Å; F5-M118 WeakPolarHBondContact O-CE 3.39Å; F5-L126 HydrophobicContact CD2-CB 3.81Å; F5-L126 HydrophobicContact CE1-CB 4.45Å; F5-L126 HydrophobicContact CE2-CB 3.76Å; F5-L126 HydrophobicContact CG-CB 4.19Å; F5-L126 HydrophobicContact CZ-CB 4.07Å
6F89.5Confident93.2Very high102 Ų10240.9 Ų40.945%0.44721%0.211SC..Hα-helixtrans-67-27.2176.3-72.9-68.1000113.8C2 N3 G8 F42 F44 M118C2-F6 HydrophobicContact CB-CD2 4.49Å; C2-F6 HydrophobicContact CB-CE2 4.4Å; C2-F6 WeakPolarHBondContact O-CD2 3.32Å; C2-F6 PolarHBondContact O-N 3.02Å; N3-F6 PolarHBondContact O-N 3.35Å; F6-G8 PolarHBondContact O-N 3.14Å; F6-F42 HydrophobicContact CD1-CD2 4.44Å; F6-F42 HydrophobicContact CD1-CE2 4.29Å; F6-F42 HydrophobicContact CE1-CD2 4.49Å; F6-F44 HydrophobicContact CE1-CZ 4.13Å; F6-M118 HydrophobicContact CD1-SD 3.76Å; F6-M118 HydrophobicContact CE1-SD 4.21Å
7E88.6Confident93.2Very high120 Ų12038.5 Ų38.556%0.56120%0.199SC*.THydrogen-bonded Turntrans-73.2-12.1170.4-74.4169.1-17100113.2N3 S4 F5 Y9 V233N3-E7 WeakPolarHBondContact O-CB 3.45Å; N3-E7 VanDerWaalsContact O-CG 3.27Å; N3-E7 WeakPolarHBondContact O-CG 3.3Å; N3-E7 PolarHBondContact O-N 2.69Å; S4-E7 PolarHBondContact O-N 3.45Å; F5-E7 VanDerWaalsContact C-N 3.3Å; F5-E7 PolarHBondContact O-N 3.01Å; E7-Y9 HydrophobicContact CB-CD2 3.99Å; E7-Y9 HydrophobicContact CB-CE2 4.1Å; E7-V233 WeakPolarHBondContact O-CG1 3.34Å
8G90.3Very high93.2Very high7 Ų737.3 Ų37.37%0.07219%0.192CC..THydrogen-bonded Turntrans99.718.117500000115.6S4 F5 F6 T124 N234S4-G8 PolarHBondContact O-N 2.88Å; F5-G8 WeakPolarHBondContact O-CA 3.46Å; F5-G8 PolarHBondContact O-N 3.3Å; F6-G8 PolarHBondContact O-N 3.14Å; G8-T124 VanDerWaalsContact CA-CG2 3.49Å; G8-T124 WeakPolarHBondContact O-CG2 3.42Å; G8-N234 PolarHBondContact O-N 2.69Å; G8-N234 PolarHBondContact O-ND2 3.41Å; G8-N234 VanDerWaalsContact O-ND2 3.1Å
9Y93.6Very high93Very high61 Ų6138.2 Ų38.224%0.23920%0.199CC..BIsolated β-bridgetrans-81.5144.7169.3-65.2-84.5000111S4 E7 V197 P231 F232 V233S4-Y9 WeakPolarHBondContact O-CB 3.36Å; S4-Y9 WeakPolarHBondContact O-CD2 3.5Å; S4-Y9 PolarHBondContact O-N 3.04Å; E7-Y9 HydrophobicContact CB-CD2 3.99Å; E7-Y9 HydrophobicContact CB-CE2 4.1Å; Y9-V197 HydrophobicContact CG-CG2 4.38Å; Y9-P231 HydrophobicContact CD1-CB 3.84Å; Y9-P231 HydrophobicContact CE1-CB 4.26Å; Y9-F232 VanDerWaalsContact CD1-C 3.46Å; Y9-V233 HydrophobicContact CD1-CG2 4.46Å; Y9-V233 HydrophobicContact CD2-CG2 4.27Å; Y9-V233 HydrophobicContact CE1-CG2 3.94Å; Y9-V233 HydrophobicContact CE2-CG2 3.7Å
10N95.1Very high92.7Very high15 Ų1540.1 Ų40.18%0.0823%0.228CC..  trans-69.2141.8162.7-63.8-34.9000108.8K125 N195 S196 V197 N234N10-K125 CarbonylContact C-O 3.58Å; N10-K125 WeakPolarHBondContact CA-O 3.34Å; N10-K125 HydrophobicContact CB-CG 4.22Å; N10-K125 PolarHBondContact OD1-N 3.47Å; N10-K125 VanDerWaalsContact OD1-N 3.16Å; N10-N195 WeakPolarHBondContact CB-O 3.42Å; N10-N195 PolarHBondContact ND2-ND2 2.93Å; N10-N195 PolarHBondContact ND2-O 2.89Å; N10-S196 CarbonylContact O-C 3.56Å; N10-S196 WeakPolarHBondContact O-CA 3.43Å; N10-S196 PolarHBondContact O-OG 2.99Å; N10-V197 PolarHBondContact O-N 3.1Å; N10-N234 PolarHBondContact N-ND2 2.94Å; N10-N234 PolarHBondContact ND2-ND2 3.25Å; N10-N234 PolarHBondContact ND2-OD1 2.91Å; N10-N234 PolarHBondContact OD1-ND2 3.08Å; N10-N234 VanDerWaalsContact OD1-ND2 3.07Å
11C97.2Very high92.8Very high0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-130.8148-177.5-720000110M1 K125 L126 N127 V197M1-C11 HydrophobicContact CG-CB 3.73Å; M1-C11 HydrophobicContact SD-CB 3.91Å; C11-K125 PolarHBondContact N-O 3.22Å; C11-L126 HydrophobicContact CB-CD1 3.58Å; C11-L126 WeakPolarHBondContact O-CA 3.43Å; C11-N127 PolarHBondContact O-N 3.05Å; C11-V197 CarbonylContact C-O 3.6Å; C11-V197 VanDerWaalsContact CA-O 3.29Å; C11-V197 WeakPolarHBondContact CA-O 3.37Å
12T97.2Very high92.9Very high0 Ų037 Ų370%022%0.22CC..EExtended strand (participates in β ladder)trans-144.1127173.5-58.60000110.4M1 F14 N127 V129 S191 S196 V197 T198 V199M1-T12 WeakPolarHBondContact CE-O 3.44Å; T12-F14 HydrophobicContact CG2-CD1 4.37Å; T12-N127 CarbonylContact C-O 3.58Å; T12-N127 WeakPolarHBondContact CA-O 3.37Å; T12-N127 HydrophobicContact CG2-CB 3.91Å; T12-V129 HydrophobicContact CG2-CG2 4.14Å; T12-S191 WeakPolarHBondContact CB-OG 3.43Å; T12-S191 WeakPolarHBondContact CG2-OG 3.47Å; T12-S191 PolarHBondContact OG1-OG 2.73Å; T12-S196 PolarHBondContact OG1-OG 3.41Å; T12-V197 PolarHBondContact N-O 3.44Å; T12-T198 HydrophobicContact CG2-CG2 4.35Å; T12-T198 CarbonylContact O-C 3.15Å; T12-T198 VanDerWaalsContact O-CA 3.29Å; T12-T198 WeakPolarHBondContact O-CA 3.46Å; T12-V199 PolarHBondContact O-N 3.41Å
13V97.1Very high93.2Very high22 Ų2233.8 Ų33.813%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-108.6128.8164.4-172.50000107.4M1 M27 N127 L128 V129 V199 I201M1-V13 HydrophobicContact CE-CG2 3.69Å; M1-V13 HydrophobicContact SD-CG2 3.19Å; M1-V13 WeakPolarHBondContact SD-CG2 3.41Å; V13-M27 HydrophobicContact CG1-CE 4.46Å; V13-M27 HydrophobicContact CG1-SD 4.21Å; V13-N127 PolarHBondContact N-O 3.26Å; V13-L128 HydrophobicContact CB-CD2 4.03Å; V13-L128 HydrophobicContact CG2-CD2 4.04Å; V13-V129 PolarHBondContact O-N 3.39Å; V13-V199 WeakPolarHBondContact CA-O 3.2Å; V13-I201 HydrophobicContact CG1-CD1 3.59Å; V13-I201 HydrophobicContact CG1-CG1 4.01Å
14F95.8Very high93.1Very high6 Ų630.6 Ų30.63%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-129.2132.1169.567.4-93.8000112.1T12 V129 L131 L192 T198 V199 M200 I201T12-F14 HydrophobicContact CG2-CD1 4.37Å; F14-V129 CarbonylContact C-O 3.54Å; F14-V129 VanDerWaalsContact CA-O 3.28Å; F14-V129 WeakPolarHBondContact CA-O 3.44Å; F14-V129 HydrophobicContact CB-CB 3.62Å; F14-V129 HydrophobicContact CB-CG1 4.03Å; F14-V129 HydrophobicContact CB-CG2 4.32Å; F14-L131 HydrophobicContact CD2-CD1 3.85Å; F14-L192 HydrophobicContact CE1-CD2 4.2Å; F14-L192 HydrophobicContact CZ-CD2 4.36Å; F14-T198 HydrophobicContact CD1-CG2 3.95Å; F14-T198 HydrophobicContact CE1-CG2 3.64Å; F14-V199 PolarHBondContact N-O 3.29Å; F14-M200 HydrophobicContact CD2-CB 4.34Å; F14-M200 HydrophobicContact CD2-CG 4.03Å; F14-M200 HydrophobicContact CE1-CB 4.01Å; F14-M200 HydrophobicContact CE2-CB 3.68Å; F14-M200 HydrophobicContact CE2-CE 4.43Å; F14-M200 HydrophobicContact CE2-CG 3.35Å; F14-M200 HydrophobicContact CE2-SD 3.78Å; F14-M200 HydrophobicContact CZ-CB 3.49Å; F14-M200 VanDerWaalsContact CZ-CB 3.49Å; F14-M200 HydrophobicContact CZ-CG 3.68Å; F14-M200 HydrophobicContact CZ-SD 4.01Å; F14-I201 PolarHBondContact O-N 3.34Å
15A96.6Very high92.9Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-91.8130.6174.100000110.1K23 M27 V129 L131 I201A15-K23 HydrophobicContact CB-CB 3.9Å; A15-K23 HydrophobicContact CB-CG 4.18Å; A15-M27 HydrophobicContact CB-CG 3.78Å; A15-M27 HydrophobicContact CB-SD 3.87Å; A15-V129 PolarHBondContact N-O 3.47Å; A15-L131 WeakPolarHBondContact O-CB 3.34Å; A15-L131 WeakPolarHBondContact O-CG 3.35Å; A15-L131 PolarHBondContact O-N 3.5Å; A15-I201 WeakPolarHBondContact CA-O 3.46Å
16Y96.1Very high92.8Very high17 Ų1739.9 Ų39.97%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-135.4139-176.5178.8-89.9000111.1L131 S134 L157 M200 I201 C203 T217 Y220Y16-L131 HydrophobicContact CD2-CD1 3.76Å; Y16-L131 HydrophobicContact CG-CD1 4.44Å; Y16-S134 VanDerWaalsContact CZ-CB 3.47Å; Y16-S134 WeakPolarHBondContact OH-CB 3.33Å; Y16-L157 HydrophobicContact CD2-CD2 4.46Å; Y16-L157 HydrophobicContact CE2-CD2 4.11Å; Y16-M200 HydrophobicContact CD1-CE 3.57Å; Y16-M200 HydrophobicContact CE1-CE 4.48Å; Y16-M200 HydrophobicContact CG-CE 3.81Å; Y16-I201 PolarHBondContact N-O 3.42Å; Y16-C203 PolarHBondContact O-N 3.46Å; Y16-T217 HydrophobicContact CD1-CG2 3.96Å; Y16-T217 HydrophobicContact CE1-CG2 4.2Å; Y16-Y220 HydrophobicContact CD1-CD1 4.14Å; Y16-Y220 HydrophobicContact CD1-CG 4.5Å; Y16-Y220 HydrophobicContact CD2-CE1 4.34Å; Y16-Y220 AromaticContact CE1-CD1 3.88Å; Y16-Y220 HydrophobicContact CE1-CD1 3.88Å; Y16-Y220 HydrophobicContact CE1-CD2 4.39Å; Y16-Y220 HydrophobicContact CE1-CE1 4.45Å; Y16-Y220 AromaticContact CE1-CG 3.82Å; Y16-Y220 HydrophobicContact CE1-CG 3.82Å; Y16-Y220 HydrophobicContact CE2-CD1 4.33Å; Y16-Y220 HydrophobicContact CE2-CE1 4.09Å; Y16-Y220 HydrophobicContact CE2-CE2 4.5Å; Y16-Y220 AromaticContact CZ-CD1 3.97Å; Y16-Y220 AromaticContact CZ-CG 3.87Å
17G94.6Very high92.7Very high0 Ų036.8 Ų36.80%021%0.209CC..SBendtrans152.9175.8179.400000112.2K23 S134 C203G17-K23 WeakPolarHBondContact O-CD 3.32Å; G17-K23 WeakPolarHBondContact O-CE 3.48Å; G17-K23 PolarHBondContact O-NZ 2.67Å; G17-S134 PolarHBondContact O-N 3.3Å; G17-S134 VanDerWaalsContact O-N 3.15Å; G17-S134 PolarHBondContact O-OG 3.01Å; G17-C203 WeakPolarHBondContact CA-O 3.42Å
18Q92Very high92Very high17 Ų1732.9 Ų32.98%0.07920%0.2CC..SBendtrans-63.3160.7179.766.8171.286.500112.6G20 S21 K23 S134 E135 N210 E213Q18-G20 PolarHBondContact O-N 2.84Å; Q18-S21 WeakPolarHBondContact O-CB 3.41Å; Q18-S21 PolarHBondContact O-N 3.33Å; Q18-S21 PolarHBondContact O-OG 2.93Å; Q18-K23 VanDerWaalsContact C-NZ 3.28Å; Q18-K23 PolarHBondContact O-NZ 2.9Å; Q18-S134 PolarHBondContact N-OG 3.3Å; Q18-E135 WeakPolarHBondContact CA-OE2 3.36Å; Q18-E135 HydrophobicContact CB-CB 4.27Å; Q18-N210 PolarHBondContact NE2-ND2 3.49Å; Q18-N210 PolarHBondContact NE2-OD1 3.27Å; Q18-N210 VanDerWaalsContact NE2-OD1 3.08Å; Q18-N210 PolarHBondContact OE1-OD1 3.01Å; Q18-E213 HydrophobicContact CB-CB 4.27Å; Q18-E213 HydrophobicContact CG-CB 4.46Å
19T89.5Confident90.5Very high54 Ų5436.4 Ų36.433%0.33122%0.221SC..THydrogen-bonded Turntrans-55.6136.6167.7-60.80000110.8S21 S108 E135T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.29Å; T19-S108 WeakPolarHBondContact OG1-CB 3.38Å; T19-E135 WeakPolarHBondContact CB-OE1 3.46Å; T19-E135 PolarHBondContact N-OE2 3.4Å; T19-E135 PolarHBondContact OG1-OE1 3.46Å; T19-E135 PolarHBondContact OG1-OE2 2.88Å
20G88.3Confident88.7Confident75 Ų7540.6 Ų40.677%0.77324%0.243SC*.THydrogen-bonded Turntrans80.51.1-177.400000115.5Q18 G22Q18-G20 PolarHBondContact O-N 2.84Å; G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.3Å
21S92.9Very high86.8Confident16 Ų1646.4 Ų46.411%0.11227%0.269CS..SBendtrans-82.5-0.7177.672.60000115.1Q18 T19 C203Q18-S21 WeakPolarHBondContact O-CB 3.41Å; Q18-S21 PolarHBondContact O-N 3.33Å; Q18-S21 PolarHBondContact O-OG 2.93Å; T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.29Å; S21-C203 WeakPolarHBondContact CB-O 3.35Å; S21-C203 WeakPolarHBondContact O-CB 3.19Å; S21-C203 WeakPolarHBondContact OG-CB 3.45Å; S21-C203 PolarHBondContact OG-O 2.9Å
22G92Very high84.8Confident26 Ų2654 Ų5427%0.26830%0.302SS..SBendtrans99.117176.600000116.2G20 T26G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.3Å; G22-T26 WeakPolarHBondContact O-CB 3.44Å; G22-T26 PolarHBondContact O-N 3.48Å; G22-T26 PolarHBondContact O-OG1 3.1Å
23K93.4Very high82.8Confident11 Ų1162.8 Ų62.85%0.04834%0.336CS..Hα-helixtrans-55.6-60.4178.8-63.7-174.6-63.3-66.70112.8A15 G17 Q18 Y25 T26 M27 D130 L131 C203A15-K23 HydrophobicContact CB-CB 3.9Å; A15-K23 HydrophobicContact CB-CG 4.18Å; G17-K23 WeakPolarHBondContact O-CD 3.32Å; G17-K23 WeakPolarHBondContact O-CE 3.48Å; G17-K23 PolarHBondContact O-NZ 2.67Å; Q18-K23 VanDerWaalsContact C-NZ 3.28Å; Q18-K23 PolarHBondContact O-NZ 2.9Å; K23-Y25 PolarHBondContact O-N 3.18Å; K23-T26 WeakPolarHBondContact O-CB 3.45Å; K23-T26 PolarHBondContact O-N 2.93Å; K23-T26 VanDerWaalsContact O-N 3.11Å; K23-M27 WeakPolarHBondContact O-CG 3.49Å; K23-M27 PolarHBondContact O-N 3.13Å; K23-D130 VanDerWaalsContact CB-OD1 3.31Å; K23-D130 WeakPolarHBondContact CB-OD1 3.32Å; K23-L131 WeakPolarHBondContact CD-O 3.34Å; K23-L131 WeakPolarHBondContact CE-O 3.44Å; K23-C203 HydrophobicContact CG-CB 3.92Å
24T89Confident80.7Confident57 Ų5769.7 Ų69.735%0.3537%0.372SS..Hα-helixtrans-62.5-42.4-178.9-46.30000111.7T26 M27 G28 T29 D130T24-T26 VanDerWaalsContact C-N 3.28Å; T24-T26 PolarHBondContact O-N 3.01Å; T24-M27 PolarHBondContact O-N 2.8Å; T24-M27 VanDerWaalsContact O-N 3.14Å; T24-G28 PolarHBondContact O-N 3.42Å; T24-T29 HydrophobicContact CG2-CG2 3.79Å; T24-D130 PolarHBondContact OG1-OD2 3.47Å
25Y88.3Confident78.8Confident163 Ų16371.4 Ų71.464%0.63939%0.387SS*.Hα-helixtrans-55.1-44.1172.8-178.1-95.6000112.1K23 G28K23-Y25 PolarHBondContact O-N 3.18Å; Y25-G28 PolarHBondContact O-N 3.21Å
26T91.4Very high76.7Confident68 Ų6879.3 Ų79.342%0.41742%0.424SS..Hα-helixtrans-67.6-37.7178-54.40000112.6G22 K23 T24 G28 I201G22-T26 WeakPolarHBondContact O-CB 3.44Å; G22-T26 PolarHBondContact O-N 3.48Å; G22-T26 PolarHBondContact O-OG1 3.1Å; K23-T26 WeakPolarHBondContact O-CB 3.45Å; K23-T26 PolarHBondContact O-N 2.93Å; K23-T26 VanDerWaalsContact O-N 3.11Å; T24-T26 VanDerWaalsContact C-N 3.28Å; T24-T26 PolarHBondContact O-N 3.01Å; T26-G28 PolarHBondContact O-N 3.08Å; T26-I201 HydrophobicContact CG2-CD1 3.79Å; T26-I201 HydrophobicContact CG2-CG2 4.14Å
27M88.5Confident74.7Confident37 Ų3784 Ų8418%0.18246%0.459CS..Hα-helixtrans-74.5-14.4179.3-65-53.3-57.100113V13 A15 K23 T24 L128 D130V13-M27 HydrophobicContact CG1-CE 4.46Å; V13-M27 HydrophobicContact CG1-SD 4.21Å; A15-M27 HydrophobicContact CB-CG 3.78Å; A15-M27 HydrophobicContact CB-SD 3.87Å; K23-M27 WeakPolarHBondContact O-CG 3.49Å; K23-M27 PolarHBondContact O-N 3.13Å; T24-M27 PolarHBondContact O-N 2.8Å; T24-M27 VanDerWaalsContact O-N 3.14Å; M27-L128 HydrophobicContact CE-CB 3.46Å; M27-L128 VanDerWaalsContact CE-CB 3.46Å; M27-L128 HydrophobicContact CE-CD2 4.03Å; M27-L128 HydrophobicContact CE-CG 4.22Å; M27-D130 HydrophobicContact CG-CB 4.2Å
28G72.9Confident72.9Confident38 Ų3889.9 Ų89.939%0.39249%0.49SS..  trans111.3119.7168.800000112.6T24 Y25 T26T24-G28 PolarHBondContact O-N 3.42Å; Y25-G28 PolarHBondContact O-N 3.21Å; T26-G28 PolarHBondContact O-N 3.08Å
29T59.4Low71.1Confident81 Ų8198.6 Ų98.650%0.49753%0.531SS..SBendtrans-136.8-4.5171.149.20000114.4T24T24-T29 HydrophobicContact CG2-CG2 3.79Å
30E54.9Low69.8Low150 Ų150100 Ų10070%0.70153%0.533SS*.SBendtrans-138.59.6-158.9-74.6-165.2162.500119.6
31E55.9Low69Low137 Ų137104.2 Ų104.264%0.6453%0.532SS*.  trans-129.397.6176-70.7-168-179.500114.1R33E31-R33 VanDerWaalsContact C-N 3.34Å; E31-R33 PolarHBondContact O-N 3.35Å; E31-R33 VanDerWaalsContact O-N 3.15Å; E31-R33 IonicContact OE2-CZ 2.76Å; E31-R33 VanDerWaalsContact OE2-CZ 3.28Å; E31-R33 IonicContact OE2-NE 3.87Å; E31-R33 PolarHBondContact OE2-NE 3.45Å; E31-R33 IonicContact OE2-NH2 2.82Å; E31-R33 PolarHBondContact OE2-NH2 2.96Å
32K54Low68.2Low159 Ų159105.1 Ų105.169%0.69153%0.534SS*.  trans-71.394.2152.5-70.2-171.4175.3-167.70107.3E90K32-E90 VanDerWaalsContact CE-CD 3.49Å; K32-E90 WeakPolarHBondContact CE-OE1 3.29Å; K32-E90 WeakPolarHBondContact CE-OE2 3.45Å; K32-E90 IonicContact NZ-OE1 3.41Å; K32-E90 PolarHBondContact NZ-OE1 3.21Å; K32-E90 IonicContact NZ-OE2 2.9Å; K32-E90 PolarHBondContact NZ-OE2 2.99Å
33R55.8Low67.9Low185 Ų185109.3 Ų109.370%0.69855%0.547SS*.  trans-86135.3156.8-64.8-174.8-158.2172.96.1106.6E31 A35E31-R33 VanDerWaalsContact C-N 3.34Å; E31-R33 PolarHBondContact O-N 3.35Å; E31-R33 VanDerWaalsContact O-N 3.15Å; E31-R33 IonicContact OE2-CZ 2.76Å; E31-R33 VanDerWaalsContact OE2-CZ 3.28Å; E31-R33 IonicContact OE2-NE 3.87Å; E31-R33 PolarHBondContact OE2-NE 3.45Å; E31-R33 IonicContact OE2-NH2 2.82Å; E31-R33 PolarHBondContact OE2-NH2 2.96Å; R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 2.9Å
34D53.5Low67.7Low167 Ų167109.4 Ų109.489%0.89355%0.547SS*.  trans-55.6103.2168-66.2-39.9000107.2E36D34-E36 PolarHBondContact O-N 3.01Å
35A54.9Low67.9Low41 Ų41107 Ų10734%0.33953%0.533SS..  trans-77.5110.3175.200000106.5R33 S37 L82R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 2.9Å; A35-S37 PolarHBondContact O-N 3.32Å; A35-L82 HydrophobicContact CB-CB 4.18Å; A35-L82 HydrophobicContact CB-CD2 3.59Å; A35-L82 HydrophobicContact CB-CG 3.91Å
36E54Low68.1Low167 Ų16799.3 Ų99.378%0.7850%0.503SS*.  trans-56.3131.3165.9-74.1-179.1159.600108.4D34 D38D34-E36 PolarHBondContact O-N 3.01Å; E36-D38 PolarHBondContact O-N 2.88Å
37S54.4Low68.2Low116 Ų11696.2 Ų96.281%0.81148%0.484SS*.  trans-73.678.5-179.9600000109.4A35A35-S37 PolarHBondContact O-N 3.32Å
38D55.1Low68.4Low123 Ų12394.6 Ų94.666%0.65848%0.476SS*.PPolyproline II helixtrans-80.8125.6167.5-75.8-21.7000108.8E36 F40E36-D38 PolarHBondContact O-N 2.88Å; D38-F40 PolarHBondContact O-N 3.38Å
39E55.6Low69.3Low199 Ų19993.3 Ų93.393%0.9346%0.46SS*.PPolyproline II helixtrans-59.7124.2169.8-77.7-176.6168.800109.3
40F60.8Low70.9Confident84 Ų8489.4 Ų89.437%0.36844%0.436SS..PPolyproline II helixtrans-76.4133176-68.4-75.9000110.9D38 F42 F44 L82D38-F40 PolarHBondContact O-N 3.38Å; F40-F42 WeakPolarHBondContact CB-O 3.4Å; F40-F42 PolarHBondContact O-N 3.29Å; F40-F44 HydrophobicContact CB-CD2 4.01Å; F40-F44 HydrophobicContact CB-CE2 3.8Å; F40-F44 HydrophobicContact CD1-CD2 4.01Å; F40-F44 AromaticContact CD1-CE2 3.4Å; F40-F44 HydrophobicContact CD1-CE2 3.4Å; F40-F44 VanDerWaalsContact CD1-CE2 3.4Å; F40-F44 HydrophobicContact CD1-CZ 4.19Å; F40-F44 HydrophobicContact CD2-CD2 4.21Å; F40-F44 HydrophobicContact CD2-CE2 4.42Å; F40-F44 HydrophobicContact CE1-CE2 4.05Å; F40-F44 AromaticContact CG-CD2 3.81Å; F40-F44 HydrophobicContact CG-CD2 3.81Å; F40-F44 AromaticContact CG-CE2 3.61Å; F40-F44 HydrophobicContact CG-CE2 3.61Å; F40-L82 HydrophobicContact CE2-CB 4.41Å; F40-L82 HydrophobicContact CZ-CB 4.05Å
41E71.6Confident72.6Confident163 Ų16382.4 Ų82.476%0.76240%0.404SS*.SBendtrans-64.5-15.4166.7-162.4-166.5149.900112
42F76.9Confident74.2Confident35 Ų3577.2 Ų77.215%0.15438%0.378CS..SBendtrans-119.2150.3-173.2-49.6-56.7000112.2F6 F40 F44 M118 K120F6-F42 HydrophobicContact CD1-CD2 4.44Å; F6-F42 HydrophobicContact CD1-CE2 4.29Å; F6-F42 HydrophobicContact CE1-CD2 4.49Å; F40-F42 WeakPolarHBondContact CB-O 3.4Å; F40-F42 PolarHBondContact O-N 3.29Å; F42-F44 HydrophobicContact CB-CD2 4.39Å; F42-F44 HydrophobicContact CB-CE2 3.75Å; F42-F44 HydrophobicContact CB-CZ 4.11Å; F42-F44 HydrophobicContact CD2-CE2 4.47Å; F42-F44 HydrophobicContact CD2-CZ 4.36Å; F42-F44 VanDerWaalsContact O-CD2 3.28Å; F42-F44 WeakPolarHBondContact O-CD2 3.44Å; F42-M118 HydrophobicContact CB-CG 3.81Å; F42-M118 HydrophobicContact CB-SD 4.3Å; F42-M118 HydrophobicContact CD2-CG 4.42Å; F42-M118 HydrophobicContact CD2-SD 3.79Å; F42-M118 HydrophobicContact CE2-SD 4.4Å; F42-M118 HydrophobicContact CG-CG 4.13Å; F42-M118 HydrophobicContact CG-SD 3.98Å; F42-K120 HydrophobicContact CD1-CB 3.74Å; F42-K120 HydrophobicContact CD1-CD 3.85Å; F42-K120 HydrophobicContact CD1-CG 3.64Å; F42-K120 HydrophobicContact CE1-CB 4.14Å; F42-K120 HydrophobicContact CE1-CD 3.3Å; F42-K120 VanDerWaalsContact CE1-CE 3.42Å; F42-K120 HydrophobicContact CE1-CG 3.57Å; F42-K120 VanDerWaalsContact CE1-NZ 3.33Å; F42-K120 HydrophobicContact CZ-CD 4.03Å
43Q85.1Confident75.7Confident114 Ų11473.2 Ų73.253%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-83124.4171.7-173.9-178.17.100109.7T119Q43-T119 PolarHBondContact N-O 2.88Å; Q43-T119 PolarHBondContact O-N 3.27Å
44F90Very high77.3Confident14 Ų1466.7 Ų66.76%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-106.7150.5177.4-70.8-86.4000111.8F5 F6 F40 F42 V79 I116 Y117 M118F5-F44 HydrophobicContact CE1-CE1 4.08Å; F5-F44 HydrophobicContact CZ-CE1 4.43Å; F6-F44 HydrophobicContact CE1-CZ 4.13Å; F40-F44 HydrophobicContact CB-CD2 4.01Å; F40-F44 HydrophobicContact CB-CE2 3.8Å; F40-F44 HydrophobicContact CD1-CD2 4.01Å; F40-F44 AromaticContact CD1-CE2 3.4Å; F40-F44 HydrophobicContact CD1-CE2 3.4Å; F40-F44 VanDerWaalsContact CD1-CE2 3.4Å; F40-F44 HydrophobicContact CD1-CZ 4.19Å; F40-F44 HydrophobicContact CD2-CD2 4.21Å; F40-F44 HydrophobicContact CD2-CE2 4.42Å; F40-F44 HydrophobicContact CE1-CE2 4.05Å; F40-F44 AromaticContact CG-CD2 3.81Å; F40-F44 HydrophobicContact CG-CD2 3.81Å; F40-F44 AromaticContact CG-CE2 3.61Å; F40-F44 HydrophobicContact CG-CE2 3.61Å; F42-F44 HydrophobicContact CB-CD2 4.39Å; F42-F44 HydrophobicContact CB-CE2 3.75Å; F42-F44 HydrophobicContact CB-CZ 4.11Å; F42-F44 HydrophobicContact CD2-CE2 4.47Å; F42-F44 HydrophobicContact CD2-CZ 4.36Å; F42-F44 VanDerWaalsContact O-CD2 3.28Å; F42-F44 WeakPolarHBondContact O-CD2 3.44Å; F44-V79 HydrophobicContact CB-CG2 3.52Å; F44-V79 PolarHBondContact O-N 3.35Å; F44-V79 VanDerWaalsContact O-N 3.09Å; F44-I116 HydrophobicContact CD1-CG2 3.99Å; F44-Y117 WeakPolarHBondContact CA-O 3.11Å; F44-M118 HydrophobicContact CD1-CB 4.01Å; F44-M118 HydrophobicContact CD1-CG 4.37Å; F44-M118 HydrophobicContact CE1-CB 3.6Å; F44-M118 HydrophobicContact CE1-CG 3.72Å; F44-M118 HydrophobicContact CE1-SD 4.33Å; F44-M118 HydrophobicContact CZ-CB 4.27Å; F44-M118 HydrophobicContact CZ-CG 3.87Å; F44-M118 HydrophobicContact CZ-SD 4.2Å
45S92.1Very high79Confident7 Ų760.8 Ų60.85%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-145.5158.4166.248.60000108.6Y77 Y117S45-Y77 CarbonylContact C-O 3.49Å; S45-Y77 WeakPolarHBondContact CA-O 3.36Å; S45-Y77 WeakPolarHBondContact CB-O 3.4Å; S45-Y117 PolarHBondContact N-O 3.18Å; S45-Y117 PolarHBondContact O-N 3.38Å; S45-Y117 WeakPolarHBondContact OG-CB 3.47Å
46C93.2Very high80.7Confident0 Ų058.8 Ų58.80%030%0.296CS..EExtended strand (participates in β ladder)trans-135.1162.7176.369.20000112Y77 C88 F114 T115C46-Y77 PolarHBondContact N-O 3.36Å; C46-Y77 PolarHBondContact O-N 3.21Å; C46-C88 WeakPolarHBondContact SG-CB 3.43Å; C46-C88 VanDerWaalsContact SG-SG 3.61Å; C46-F114 HydrophobicContact CB-CE2 3.86Å; C46-F114 HydrophobicContact CB-CZ 3.83Å; C46-T115 CarbonylContact C-O 3.36Å; C46-T115 WeakPolarHBondContact CA-O 3.42Å; C46-T115 WeakPolarHBondContact CB-O 3.22Å
47S93.3Very high82.4Confident3 Ų352 Ų522%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-143.1142.7171.963.20000108.5G75 F114 T115 Y117S47-G75 WeakPolarHBondContact CA-O 3.32Å; S47-G75 WeakPolarHBondContact CB-O 3.48Å; S47-F114 CarbonylContact O-C 3.55Å; S47-F114 WeakPolarHBondContact O-CA 3.44Å; S47-T115 PolarHBondContact N-O 2.81Å; S47-T115 PolarHBondContact O-N 3.43Å; S47-T115 WeakPolarHBondContact OG-CB 3.31Å; S47-Y117 WeakPolarHBondContact OG-CE2 3.43Å; S47-Y117 PolarHBondContact OG-OH 3.02Å
48M93.2Very high84.2Confident4 Ų447.1 Ų47.12%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-124118.1172.6-161.1168.117100109.9L59 L60 L89 G92 A112 I113 F114M48-L59 HydrophobicContact CB-CB 4Å; M48-L59 HydrophobicContact CE-CD1 3.91Å; M48-L59 HydrophobicContact CG-CB 4.04Å; M48-L59 HydrophobicContact CG-CD1 3.85Å; M48-L59 WeakPolarHBondContact O-CB 3.49Å; M48-L59 PolarHBondContact O-N 2.88Å; M48-L59 HydrophobicContact SD-CD1 4.27Å; M48-L60 HydrophobicContact CB-CD1 4.25Å; M48-L60 HydrophobicContact CB-CD2 3.85Å; M48-L60 HydrophobicContact CB-CG 3.75Å; M48-L89 HydrophobicContact CE-CD1 4.39Å; M48-L89 HydrophobicContact SD-CD1 4.22Å; M48-G92 WeakPolarHBondContact SD-CA 3.49Å; M48-A112 HydrophobicContact CE-CB 4.36Å; M48-I113 WeakPolarHBondContact CA-O 3.47Å; M48-F114 HydrophobicContact CB-CD2 3.87Å; M48-F114 HydrophobicContact CG-CB 4.29Å; M48-F114 HydrophobicContact CG-CD2 3.99Å; M48-F114 HydrophobicContact SD-CD2 4.15Å
49L92.8Very high85.9Confident10 Ų1041.3 Ų41.35%0.05220%0.197CC..EExtended strand (participates in β ladder)trans-113.8139.6-178.1-58.4-178.6000110.7V56 F57 L66 A112 I113L49-V56 HydrophobicContact CB-CG1 4.26Å; L49-V56 HydrophobicContact CD1-CG1 4.21Å; L49-V56 HydrophobicContact CD2-CG1 4.29Å; L49-F57 CarbonylContact C-O 3.54Å; L49-F57 WeakPolarHBondContact CA-O 3.47Å; L49-L66 HydrophobicContact CD2-CD1 3.74Å; L49-A112 CarbonylContact O-C 3.52Å; L49-A112 WeakPolarHBondContact O-CA 3.47Å; L49-I113 HydrophobicContact CB-CB 4.48Å; L49-I113 PolarHBondContact N-O 2.81Å; L49-I113 PolarHBondContact O-N 3.03Å
50E91.9Very high87.5Confident0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-107.1131.9167.6-176.8178.7-159.300109.9V56 F57 L59 R63 S110 H111E50-V56 CarbonylContact O-C 3.47Å; E50-V56 VanDerWaalsContact O-CA 3.26Å; E50-V56 WeakPolarHBondContact O-CA 3.41Å; E50-F57 HydrophobicContact CB-CB 4.34Å; E50-F57 PolarHBondContact N-O 2.97Å; E50-F57 PolarHBondContact O-N 3.48Å; E50-L59 HydrophobicContact CB-CD1 3.79Å; E50-L59 HydrophobicContact CB-CD2 3.84Å; E50-L59 HydrophobicContact CB-CG 3.75Å; E50-R63 IonicContact OE1-NH2 3.83Å; E50-R63 IonicContact OE2-CZ 2.87Å; E50-R63 IonicContact OE2-NE 3.28Å; E50-R63 PolarHBondContact OE2-NE 3.3Å; E50-R63 IonicContact OE2-NH2 2.74Å; E50-R63 PolarHBondContact OE2-NH2 3.46Å; E50-S110 WeakPolarHBondContact OE1-CB 3.4Å; E50-S110 PolarHBondContact OE1-OG 3.26Å; E50-H111 CarbonylContact C-O 3.56Å; E50-H111 WeakPolarHBondContact CA-O 3.3Å
51I91.3Very high88.7Confident3 Ų329.8 Ų29.82%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-105.9110.2167.6-48.4174.8000107.8T55 V56 S110 H111 I113 K183 L184 L187I51-T55 WeakPolarHBondContact CA-O 3.46Å; I51-V56 HydrophobicContact CG1-CG2 4.38Å; I51-S110 WeakPolarHBondContact O-CA 3.33Å; I51-S110 WeakPolarHBondContact O-CB 3.44Å; I51-H111 HydrophobicContact CB-CB 4.13Å; I51-H111 HydrophobicContact CD1-CB 4.44Å; I51-H111 HydrophobicContact CG1-CB 4.49Å; I51-H111 PolarHBondContact N-O 2.87Å; I51-H111 PolarHBondContact O-N 3.45Å; I51-I113 HydrophobicContact CD1-CD1 3.9Å; I51-K183 HydrophobicContact CG2-CB 4.44Å; I51-L184 HydrophobicContact CD1-CB 3.98Å; I51-L184 HydrophobicContact CD1-CD1 3.89Å; I51-L187 HydrophobicContact CD1-CD1 3.62Å; I51-L187 HydrophobicContact CG1-CD1 4.12Å
52Y88.4Confident89.2Confident27 Ų2729 Ų2911%0.10615%0.151CC..EExtended strand (participates in β ladder)trans-132.5126.2178.4178.4-107.7000109.7E54 T55 F57 M103 R109 E149Y52-E54 VanDerWaalsContact C-N 3.32Å; Y52-E54 PolarHBondContact O-N 3.47Å; Y52-T55 PolarHBondContact N-O 3.08Å; Y52-T55 WeakPolarHBondContact O-CA 3.03Å; Y52-T55 WeakPolarHBondContact O-CB 3.42Å; Y52-T55 PolarHBondContact O-N 3Å; Y52-F57 HydrophobicContact CD1-CE2 4.41Å; Y52-M103 HydrophobicContact CD1-CE 3.99Å; Y52-M103 HydrophobicContact CE1-CE 3.78Å; Y52-M103 HydrophobicContact CE1-SD 3.93Å; Y52-R109 HydrophobicContact CE2-CB 4.45Å; Y52-E149 HydrophobicContact CE2-CG 3.95Å; Y52-E149 WeakPolarHBondContact CE2-OE1 3.41Å; Y52-E149 VanDerWaalsContact CZ-OE1 3.29Å; Y52-E149 WeakPolarHBondContact OH-CG 3.37Å; Y52-E149 PolarHBondContact OH-OE1 3.24Å
53N86.1Confident89.5Confident76 Ų7630 Ų3041%0.40615%0.154SC..THydrogen-bonded Turntrans50.848-179.6-169.434.7000113.3T55 K152N53-T55 PolarHBondContact O-N 3.05Å; N53-T55 PolarHBondContact O-OG1 3.29Å; N53-K152 WeakPolarHBondContact OD1-CB 3.44Å; N53-K152 VanDerWaalsContact OD1-CG 3.25Å; N53-K152 WeakPolarHBondContact OD1-CG 3.47Å
54E88.5Confident89.3Confident47 Ų4730.7 Ų30.722%0.2216%0.157CC..THydrogen-bonded Turntrans52.325.1-174.8-73-64.211100114.1Y52 S182 K183Y52-E54 VanDerWaalsContact C-N 3.32Å; Y52-E54 PolarHBondContact O-N 3.47Å; E54-S182 WeakPolarHBondContact OE2-CA 3.32Å; E54-K183 WeakPolarHBondContact O-CD 3.4Å; E54-K183 WeakPolarHBondContact O-CE 3.46Å; E54-K183 PolarHBondContact O-NZ 3.42Å; E54-K183 PolarHBondContact OE2-N 3.42Å
55T89.4Confident89.1Confident43 Ų4334.5 Ų34.526%0.26418%0.183SC..EExtended strand (participates in β ladder)trans-116137.4171.4-550000108.5I51 Y52 N53 F57 P65I51-T55 WeakPolarHBondContact CA-O 3.46Å; Y52-T55 PolarHBondContact N-O 3.08Å; Y52-T55 WeakPolarHBondContact O-CA 3.03Å; Y52-T55 WeakPolarHBondContact O-CB 3.42Å; Y52-T55 PolarHBondContact O-N 3Å; N53-T55 PolarHBondContact O-N 3.05Å; N53-T55 PolarHBondContact O-OG1 3.29Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.36Å; T55-F57 HydrophobicContact CG2-CE1 3.84Å; T55-F57 HydrophobicContact CG2-CE2 3.68Å; T55-F57 HydrophobicContact CG2-CZ 3.41Å; T55-F57 VanDerWaalsContact CG2-CZ 3.41Å; T55-P65 HydrophobicContact CG2-CB 3.84Å; T55-P65 HydrophobicContact CG2-CG 4.34Å
56V91.1Very high88.8Confident0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-100.6132.5179.2179.70000106.9L49 E50 I51 P65 L66 I68 K183 L187L49-V56 HydrophobicContact CB-CG1 4.26Å; L49-V56 HydrophobicContact CD1-CG1 4.21Å; L49-V56 HydrophobicContact CD2-CG1 4.29Å; E50-V56 CarbonylContact O-C 3.47Å; E50-V56 VanDerWaalsContact O-CA 3.26Å; E50-V56 WeakPolarHBondContact O-CA 3.41Å; I51-V56 HydrophobicContact CG1-CG2 4.38Å; V56-P65 CarbonylContact O-C 3.6Å; V56-P65 VanDerWaalsContact O-CA 3.29Å; V56-P65 WeakPolarHBondContact O-CA 3.41Å; V56-L66 HydrophobicContact CB-CB 4.35Å; V56-L66 HydrophobicContact CG1-CB 4.18Å; V56-L66 PolarHBondContact O-N 2.98Å; V56-I68 HydrophobicContact CG2-CD1 3.89Å; V56-I68 HydrophobicContact CG2-CG1 3.93Å; V56-K183 HydrophobicContact CG2-CB 4.35Å; V56-K183 HydrophobicContact CG2-CD 3.71Å; V56-L187 HydrophobicContact CG2-CD1 4.21Å
57F90.6Very high88.4Confident24 Ų2441.3 Ų41.311%0.10522%0.216CC..EExtended strand (participates in β ladder)trans-123.5141.4178.3-57.9-85.9000109.9L49 E50 Y52 T55 R63 P65L49-F57 CarbonylContact C-O 3.54Å; L49-F57 WeakPolarHBondContact CA-O 3.47Å; E50-F57 HydrophobicContact CB-CB 4.34Å; E50-F57 PolarHBondContact N-O 2.97Å; E50-F57 PolarHBondContact O-N 3.48Å; Y52-F57 HydrophobicContact CD1-CE2 4.41Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.36Å; T55-F57 HydrophobicContact CG2-CE1 3.84Å; T55-F57 HydrophobicContact CG2-CE2 3.68Å; T55-F57 HydrophobicContact CG2-CZ 3.41Å; T55-F57 VanDerWaalsContact CG2-CZ 3.41Å; F57-R63 HydrophobicContact CB-CG 3.73Å; F57-R63 HydrophobicContact CD1-CG 4.08Å; F57-R63 VanDerWaalsContact CD1-O 3.3Å; F57-R63 WeakPolarHBondContact CD1-O 3.3Å; F57-R63 HydrophobicContact CG-CG 4.1Å; F57-P65 HydrophobicContact CD1-CG 4.33Å; F57-P65 HydrophobicContact CE1-CB 4.5Å; F57-P65 HydrophobicContact CE1-CG 3.92Å
58D91.2Very high87.6Confident14 Ų1442.2 Ų42.28%0.07522%0.221CC..EExtended strand (participates in β ladder)trans-80.6113170.4-174.2-2.4000110.5L60 G61 R63 E64 L66 G75D58-L60 PolarHBondContact OD1-N 3.39Å; D58-G61 PolarHBondContact OD1-N 2.91Å; D58-R63 WeakPolarHBondContact O-CA 3.45Å; D58-R63 PolarHBondContact O-N 3.43Å; D58-R63 VanDerWaalsContact O-N 3.13Å; D58-E64 PolarHBondContact N-O 2.95Å; D58-L66 HydrophobicContact CB-CD1 3.94Å; D58-L66 HydrophobicContact CB-CG 4.36Å; D58-G75 WeakPolarHBondContact OD2-CA 3.41Å
59L90.6Very high86.6Confident0 Ų048.6 Ų48.60%025%0.245CC..THydrogen-bonded Turntrans-81.9-13.1-179.8-69.3178.4000113.5M48 E50 N95 R96M48-L59 HydrophobicContact CB-CB 4Å; M48-L59 HydrophobicContact CE-CD1 3.91Å; M48-L59 HydrophobicContact CG-CB 4.04Å; M48-L59 HydrophobicContact CG-CD1 3.85Å; M48-L59 WeakPolarHBondContact O-CB 3.49Å; M48-L59 PolarHBondContact O-N 2.88Å; M48-L59 HydrophobicContact SD-CD1 4.27Å; E50-L59 HydrophobicContact CB-CD1 3.79Å; E50-L59 HydrophobicContact CB-CD2 3.84Å; E50-L59 HydrophobicContact CB-CG 3.75Å; L59-N95 HydrophobicContact CD2-CB 4.45Å; L59-N95 WeakPolarHBondContact O-CB 3.4Å; L59-N95 PolarHBondContact O-ND2 3.14Å; L59-R96 HydrophobicContact CD1-CB 3.94Å; L59-R96 HydrophobicContact CD1-CG 4.32Å; L59-R96 HydrophobicContact CD2-CB 4.05Å
60L90.4Very high84.7Confident24 Ų2456.7 Ų56.713%0.12628%0.282CS..THydrogen-bonded Turntrans-94.6-16175-58.4-174.5000111.9M48 D58 Y77 C88M48-L60 HydrophobicContact CB-CD1 4.25Å; M48-L60 HydrophobicContact CB-CD2 3.85Å; M48-L60 HydrophobicContact CB-CG 3.75Å; D58-L60 PolarHBondContact OD1-N 3.39Å; L60-Y77 HydrophobicContact CB-CD1 4.38Å; L60-Y77 HydrophobicContact CB-CD2 3.54Å; L60-Y77 HydrophobicContact CB-CE1 4.1Å; L60-Y77 HydrophobicContact CB-CE2 3.25Å; L60-Y77 HydrophobicContact CB-CG 4.13Å; L60-Y77 HydrophobicContact CD1-CD2 3.51Å; L60-Y77 HydrophobicContact CD1-CE2 4.13Å; L60-Y77 HydrophobicContact CD1-CG 3.91Å; L60-Y77 HydrophobicContact CG-CD2 4.14Å; L60-Y77 HydrophobicContact CG-CE2 4.27Å; L60-Y77 PolarHBondContact O-OH 3.02Å; L60-C88 HydrophobicContact CD1-CB 4.16Å; L60-C88 HydrophobicContact CD2-CB 4.05Å; L60-C88 WeakPolarHBondContact CD2-O 3.5Å
61G84.8Confident82.9Confident18 Ų1864.7 Ų64.719%0.18632%0.319CS..THydrogen-bonded Turntrans-98-150.717400000113.1D58 R63 Y77D58-G61 PolarHBondContact OD1-N 2.91Å; G61-R63 PolarHBondContact O-N 2.94Å; G61-Y77 WeakPolarHBondContact CA-OH 3.38Å; G61-Y77 PolarHBondContact N-OH 3.37Å
62N82.1Confident81.4Confident147 Ų14767.2 Ų67.279%0.78633%0.331SS*.THydrogen-bonded Turntrans-83.720.3180-66.7-30000113.5E64N62-E64 HydrophobicContact CB-CG 4.25Å; N62-E64 PolarHBondContact O-N 3.49Å
63R83.3Confident79.9Confident56 Ų5671.1 Ų71.121%0.21136%0.358CS..  trans5540.5-175-156.7173.6175.6-91.3-0.5112.9E50 F57 D58 G61E50-R63 IonicContact OE1-NH2 3.83Å; E50-R63 IonicContact OE2-CZ 2.87Å; E50-R63 IonicContact OE2-NE 3.28Å; E50-R63 PolarHBondContact OE2-NE 3.3Å; E50-R63 IonicContact OE2-NH2 2.74Å; E50-R63 PolarHBondContact OE2-NH2 3.46Å; F57-R63 HydrophobicContact CB-CG 3.73Å; F57-R63 HydrophobicContact CD1-CG 4.08Å; F57-R63 VanDerWaalsContact CD1-O 3.3Å; F57-R63 WeakPolarHBondContact CD1-O 3.3Å; F57-R63 HydrophobicContact CG-CG 4.1Å; D58-R63 WeakPolarHBondContact O-CA 3.45Å; D58-R63 PolarHBondContact O-N 3.43Å; D58-R63 VanDerWaalsContact O-N 3.13Å; G61-R63 PolarHBondContact O-N 2.94Å
64E81.3Confident78.7Confident128 Ų12872.5 Ų72.560%0.59836%0.362SS*.PPolyproline II helixtrans-78.7143.9175.1-67.8-167.9172.700111.3D58 N62 L66D58-E64 PolarHBondContact N-O 2.95Å; N62-E64 HydrophobicContact CB-CG 4.25Å; N62-E64 PolarHBondContact O-N 3.49Å; E64-L66 PolarHBondContact O-N 3.19Å
65P86Confident77.5Confident93 Ų9370.8 Ų70.860%0.60436%0.357SS*.EExtended strand (participates in β ladder)trans-61.8123174.6-22.832.9000112.6T55 V56 F57T55-P65 HydrophobicContact CG2-CB 3.84Å; T55-P65 HydrophobicContact CG2-CG 4.34Å; V56-P65 CarbonylContact O-C 3.6Å; V56-P65 VanDerWaalsContact O-CA 3.29Å; V56-P65 WeakPolarHBondContact O-CA 3.41Å; F57-P65 HydrophobicContact CD1-CG 4.33Å; F57-P65 HydrophobicContact CE1-CB 4.5Å; F57-P65 HydrophobicContact CE1-CG 3.92Å
66L86.5Confident76.9Confident25 Ų2570.6 Ų70.613%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-97.4144.5176.4-64.3-178.6000112.5L49 V56 D58 E64 E74L49-L66 HydrophobicContact CD2-CD1 3.74Å; V56-L66 HydrophobicContact CB-CB 4.35Å; V56-L66 HydrophobicContact CG1-CB 4.18Å; V56-L66 PolarHBondContact O-N 2.98Å; D58-L66 HydrophobicContact CB-CD1 3.94Å; D58-L66 HydrophobicContact CB-CG 4.36Å; E64-L66 PolarHBondContact O-N 3.19Å; L66-E74 HydrophobicContact CD2-CB 4.42Å
67M83.1Confident76.3Confident125 Ų12574.6 Ų74.662%0.61637%0.37SS*.PPolyproline II helixtrans-91.6124.3168.8-70.2-161.5-71.100110.7R69M67-R69 PolarHBondContact O-N 3.16Å
68I77Confident75.8Confident23 Ų2378 Ų7812%0.11839%0.393CS..  trans-69105174.9-59.8176.9000109.6V56 K183 R186 L187V56-I68 HydrophobicContact CG2-CD1 3.89Å; V56-I68 HydrophobicContact CG2-CG1 3.93Å; I68-K183 HydrophobicContact CD1-CB 3.52Å; I68-K183 HydrophobicContact CD1-CD 3.74Å; I68-K183 HydrophobicContact CD1-CG 3.62Å; I68-K183 HydrophobicContact CG1-CD 4.37Å; I68-R186 PolarHBondContact O-NH2 3.42Å; I68-L187 HydrophobicContact CD1-CD1 3.98Å; I68-L187 HydrophobicContact CD1-CD2 4.29Å; I68-L187 HydrophobicContact CD1-CG 3.86Å; I68-L187 HydrophobicContact CG1-CD2 4.38Å; I68-L187 HydrophobicContact CG1-CG 4.46Å; I68-L187 HydrophobicContact CG2-CD2 4.37Å
69R72.1Confident75.3Confident137 Ų13777.7 Ų77.752%0.51739%0.391SS..  trans-105163.5169.3-64.2179.2176.2161.7-1110.4M67 H71 Q72M67-R69 PolarHBondContact O-N 3.16Å; R69-H71 VanDerWaalsContact C-N 3.34Å; R69-Q72 PolarHBondContact O-NE2 3.49Å
70E53Low74.8Confident181 Ų18186 Ų8685%0.84643%0.429SS*.SBendtrans-68.3-33.3179.5-68-177.6168.300112.4
71H54.3Low74.2Confident167 Ų16786.2 Ų86.277%0.77343%0.434SS*.SBendtrans-115.195.7172.8-65.6-74000109.3R69R69-H71 VanDerWaalsContact C-N 3.34Å
72Q59.6Low74.1Confident56 Ų5689.1 Ų89.126%0.26244%0.444SS..  trans-89.8110.3174.6-71.4172.839.500109.1R69 I76R69-Q72 PolarHBondContact O-NE2 3.49Å; Q72-I76 WeakPolarHBondContact O-CD1 3.36Å
73T57.7Low74.2Confident110 Ų11085.6 Ų85.668%0.67543%0.431SS*.  trans-102.7-17.8167.551.50000112
74E60.3Low74.3Confident104 Ų10485.8 Ų85.849%0.48644%0.437SS..THydrogen-bonded Turntrans-72.5141.5175.9-66.9169.3-166.200110.1L66L66-E74 HydrophobicContact CD2-CB 4.42Å
75G64.3Low74.6Confident12 Ų1280.3 Ų80.312%0.12441%0.412CS..THydrogen-bonded Turntrans7614.7-179.600000115.8S47 D58 Y77S47-G75 WeakPolarHBondContact CA-O 3.32Å; S47-G75 WeakPolarHBondContact CB-O 3.48Å; D58-G75 WeakPolarHBondContact OD2-CA 3.41Å; G75-Y77 WeakPolarHBondContact O-CD2 3.34Å
76I75.6Confident74.7Confident39 Ų3978.9 Ų78.920%0.240%0.399CS..  trans-98.8124.1174.1-58.8-179.4000109.8Q72 Y117Q72-I76 WeakPolarHBondContact O-CD1 3.36Å; I76-Y117 HydrophobicContact CD1-CE2 4.19Å; I76-Y117 HydrophobicContact CG1-CE2 4.11Å; I76-Y117 HydrophobicContact CG2-CD2 4.33Å; I76-Y117 HydrophobicContact CG2-CE2 4.47Å
77Y79.2Confident74.8Confident84 Ų8481.6 Ų81.633%0.32941%0.411SS..EExtended strand (participates in β ladder)trans-112.2122.6-177.9-69-104.3000109.1S45 C46 L60 G61 G75S45-Y77 CarbonylContact C-O 3.49Å; S45-Y77 WeakPolarHBondContact CA-O 3.36Å; S45-Y77 WeakPolarHBondContact CB-O 3.4Å; C46-Y77 PolarHBondContact N-O 3.36Å; C46-Y77 PolarHBondContact O-N 3.21Å; L60-Y77 HydrophobicContact CB-CD1 4.38Å; L60-Y77 HydrophobicContact CB-CD2 3.54Å; L60-Y77 HydrophobicContact CB-CE1 4.1Å; L60-Y77 HydrophobicContact CB-CE2 3.25Å; L60-Y77 HydrophobicContact CB-CG 4.13Å; L60-Y77 HydrophobicContact CD1-CD2 3.51Å; L60-Y77 HydrophobicContact CD1-CE2 4.13Å; L60-Y77 HydrophobicContact CD1-CG 3.91Å; L60-Y77 HydrophobicContact CG-CD2 4.14Å; L60-Y77 HydrophobicContact CG-CE2 4.27Å; L60-Y77 PolarHBondContact O-OH 3.02Å; G61-Y77 WeakPolarHBondContact CA-OH 3.38Å; G61-Y77 PolarHBondContact N-OH 3.37Å; G75-Y77 WeakPolarHBondContact O-CD2 3.34Å
78V78.7Confident75.2Confident96 Ų9676.6 Ų76.658%0.58239%0.388SS*.EExtended strand (participates in β ladder)trans-73136.6175.6-179.60000108.8
79V82.1Confident75.8Confident7 Ų777.4 Ų77.44%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-125136.4-179.7-64.20000108.9F44 D84 T85F44-V79 HydrophobicContact CB-CG2 3.52Å; F44-V79 PolarHBondContact O-N 3.35Å; F44-V79 VanDerWaalsContact O-N 3.09Å; V79-D84 HydrophobicContact CB-CB 3.9Å; V79-D84 HydrophobicContact CG1-CB 4.1Å; V79-T85 VanDerWaalsContact CG2-OG1 3.27Å; V79-T85 WeakPolarHBondContact CG2-OG1 3.41Å
80E79.1Confident76.6Confident173 Ų17374.4 Ų74.481%0.80838%0.384SS*.SBendtrans-101.9-20.7-175.5-59.8-175.8167.800111.5D84E80-D84 WeakPolarHBondContact CA-OD2 3.47Å; E80-D84 WeakPolarHBondContact CB-OD2 3.36Å; E80-D84 PolarHBondContact N-OD2 2.88Å
81S78.9Confident78.3Confident30 Ų3069.2 Ų69.221%0.2136%0.362CS..SBendtrans-137.7167.4-179.577.90000113.9S83 D84 T85S81-S83 PolarHBondContact O-N 3.44Å; S81-S83 WeakPolarHBondContact OG-CB 3.39Å; S81-S83 PolarHBondContact OG-N 3.38Å; S81-D84 PolarHBondContact N-OD2 3.43Å; S81-D84 PolarHBondContact O-N 3.38Å; S81-D84 PolarHBondContact OG-N 2.97Å; S81-D84 PolarHBondContact OG-OD1 3Å; S81-D84 PolarHBondContact OG-OD2 3.24Å; S81-T85 PolarHBondContact O-N 3.07Å; S81-T85 VanDerWaalsContact O-N 3.15Å; S81-T85 PolarHBondContact O-OG1 2.89Å; S81-T85 VanDerWaalsContact O-OG1 3.07Å
82L81.3Confident80Confident78 Ų7861.2 Ų61.241%0.40833%0.325SS..Hα-helixtrans-62.6-38.8171.3178.153.8000109.7A35 F40 D84 T85 L86A35-L82 HydrophobicContact CB-CB 4.18Å; A35-L82 HydrophobicContact CB-CD2 3.59Å; A35-L82 HydrophobicContact CB-CG 3.91Å; F40-L82 HydrophobicContact CE2-CB 4.41Å; F40-L82 HydrophobicContact CZ-CB 4.05Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.42Å; L82-T85 WeakPolarHBondContact O-CB 3.33Å; L82-T85 PolarHBondContact O-N 3.48Å; L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.17Å; L82-L86 HydrophobicContact CG-CD1 4.1Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.36Å
83S84.1Confident81.2Confident74 Ų7460.9 Ų60.952%0.51733%0.328SS..Hα-helixtrans-58.4-43.8175.2-172.30000111.3S81 T85 L86 Q87S81-S83 PolarHBondContact O-N 3.44Å; S81-S83 WeakPolarHBondContact OG-CB 3.39Å; S81-S83 PolarHBondContact OG-N 3.38Å; S83-T85 VanDerWaalsContact C-N 3.31Å; S83-T85 PolarHBondContact O-N 3.3Å; S83-L86 PolarHBondContact O-N 3.37Å; S83-Q87 WeakPolarHBondContact O-CB 3.48Å; S83-Q87 PolarHBondContact O-N 3.31Å
84D86.7Confident82.6Confident60 Ų6061.3 Ų61.332%0.32132%0.321SS..Hα-helixtrans-64.8-38.8178.5-54.4-15.6000111.2V79 E80 S81 L82 Q87 C88V79-D84 HydrophobicContact CB-CB 3.9Å; V79-D84 HydrophobicContact CG1-CB 4.1Å; E80-D84 WeakPolarHBondContact CA-OD2 3.47Å; E80-D84 WeakPolarHBondContact CB-OD2 3.36Å; E80-D84 PolarHBondContact N-OD2 2.88Å; S81-D84 PolarHBondContact N-OD2 3.43Å; S81-D84 PolarHBondContact O-N 3.38Å; S81-D84 PolarHBondContact OG-N 2.97Å; S81-D84 PolarHBondContact OG-OD1 3Å; S81-D84 PolarHBondContact OG-OD2 3.24Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.42Å; D84-Q87 PolarHBondContact O-N 2.88Å; D84-C88 PolarHBondContact O-N 2.87Å; D84-C88 PolarHBondContact O-SG 3.31Å
85T87.9Confident83.8Confident13 Ų1358.7 Ų58.78%0.0831%0.31CS..Hα-helixtrans-65.4-43.5177.5-52.10000111.4V79 S81 L82 S83 C88 L89 F114 I116V79-T85 VanDerWaalsContact CG2-OG1 3.27Å; V79-T85 WeakPolarHBondContact CG2-OG1 3.41Å; S81-T85 PolarHBondContact O-N 3.07Å; S81-T85 VanDerWaalsContact O-N 3.15Å; S81-T85 PolarHBondContact O-OG1 2.89Å; S81-T85 VanDerWaalsContact O-OG1 3.07Å; L82-T85 WeakPolarHBondContact O-CB 3.33Å; L82-T85 PolarHBondContact O-N 3.48Å; S83-T85 VanDerWaalsContact C-N 3.31Å; S83-T85 PolarHBondContact O-N 3.3Å; T85-C88 PolarHBondContact O-N 3.29Å; T85-L89 PolarHBondContact O-N 3.49Å; T85-L89 VanDerWaalsContact O-N 3.13Å; T85-F114 HydrophobicContact CG2-CE1 4.31Å; T85-F114 HydrophobicContact CG2-CZ 4.02Å; T85-I116 HydrophobicContact CG2-CD1 4.1Å; T85-I116 HydrophobicContact CG2-CG1 4.25Å
86L87.2Confident84.9Confident62 Ų6258.8 Ų58.833%0.32531%0.307SS..Hα-helixtrans-67.4-39176-70.3174.7000111.5L82 S83 L89 E90L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.17Å; L82-L86 HydrophobicContact CG-CD1 4.1Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.36Å; S83-L86 PolarHBondContact O-N 3.37Å; L86-L89 WeakPolarHBondContact O-CB 3.44Å; L86-L89 PolarHBondContact O-N 3.5Å; L86-E90 PolarHBondContact O-N 2.81Å
87Q88.5Confident85.1Confident83 Ų8359 Ų5939%0.38831%0.312SS..Hα-helixtrans-61.6-44.4174.7-172.66253.800111S83 D84 L89 E90 D91S83-Q87 WeakPolarHBondContact O-CB 3.48Å; S83-Q87 PolarHBondContact O-N 3.31Å; D84-Q87 PolarHBondContact O-N 2.88Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 3.28Å; Q87-E90 PolarHBondContact O-N 3.1Å; Q87-E90 VanDerWaalsContact O-N 3.15Å; Q87-D91 PolarHBondContact NE2-OD1 3.02Å; Q87-D91 WeakPolarHBondContact O-CB 3.3Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 2.98Å
88C91.1Very high85Confident19 Ų1959.2 Ų59.213%0.12832%0.316CS..Hα-helixtrans-58.8-41.5174.4-67.90000111.7C46 L60 D84 T85 G92C46-C88 WeakPolarHBondContact SG-CB 3.43Å; C46-C88 VanDerWaalsContact SG-SG 3.61Å; L60-C88 HydrophobicContact CD1-CB 4.16Å; L60-C88 HydrophobicContact CD2-CB 4.05Å; L60-C88 WeakPolarHBondContact CD2-O 3.5Å; D84-C88 PolarHBondContact O-N 2.87Å; D84-C88 PolarHBondContact O-SG 3.31Å; T85-C88 PolarHBondContact O-N 3.29Å; C88-G92 PolarHBondContact O-N 2.95Å
89L90.2Very high84.6Confident40 Ų4055 Ų5521%0.20929%0.291CS..Hα-helixtrans-63.1-43.6175.5-179.663.6000111.8M48 T85 L86 Q87 C93 F114M48-L89 HydrophobicContact CE-CD1 4.39Å; M48-L89 HydrophobicContact SD-CD1 4.22Å; T85-L89 PolarHBondContact O-N 3.49Å; T85-L89 VanDerWaalsContact O-N 3.13Å; L86-L89 WeakPolarHBondContact O-CB 3.44Å; L86-L89 PolarHBondContact O-N 3.5Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 3.28Å; L89-C93 WeakPolarHBondContact O-CB 3.26Å; L89-C93 PolarHBondContact O-N 2.86Å; L89-C93 PolarHBondContact O-SG 3.49Å; L89-F114 HydrophobicContact CB-CE1 4.36Å; L89-F114 HydrophobicContact CB-CE2 4.3Å; L89-F114 HydrophobicContact CB-CZ 4.08Å; L89-F114 HydrophobicContact CD1-CB 4.25Å; L89-F114 HydrophobicContact CD1-CD1 4.04Å; L89-F114 HydrophobicContact CD1-CD2 4.15Å; L89-F114 HydrophobicContact CD1-CE1 4.38Å; L89-F114 HydrophobicContact CD1-CG 3.9Å
90E88.1Confident84Confident75 Ų7555.8 Ų55.835%0.3530%0.295SS..Hα-helixtrans-62.1-48176-75.6-179.5-158.900111.8K32 L86 Q87 G92 C93 F94K32-E90 VanDerWaalsContact CE-CD 3.49Å; K32-E90 WeakPolarHBondContact CE-OE1 3.29Å; K32-E90 WeakPolarHBondContact CE-OE2 3.45Å; K32-E90 IonicContact NZ-OE1 3.41Å; K32-E90 PolarHBondContact NZ-OE1 3.21Å; K32-E90 IonicContact NZ-OE2 2.9Å; K32-E90 PolarHBondContact NZ-OE2 2.99Å; L86-E90 PolarHBondContact O-N 2.81Å; Q87-E90 PolarHBondContact O-N 3.1Å; Q87-E90 VanDerWaalsContact O-N 3.15Å; E90-G92 PolarHBondContact O-N 3.07Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 3.24Å; E90-F94 WeakPolarHBondContact O-CB 3.41Å; E90-F94 PolarHBondContact O-N 3.2Å
91D89.4Confident83.1Confident71 Ų7152.5 Ų52.538%0.3829%0.287SS..Hα-helixtrans-61.7-45.2179.2-68.6-16.9000111.1Q87 F94 N95Q87-D91 PolarHBondContact NE2-OD1 3.02Å; Q87-D91 WeakPolarHBondContact O-CB 3.3Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 2.98Å; D91-F94 WeakPolarHBondContact O-CB 3.45Å; D91-F94 PolarHBondContact O-N 3.09Å; D91-N95 WeakPolarHBondContact O-CB 3.31Å; D91-N95 VanDerWaalsContact O-CG 3.27Å; D91-N95 PolarHBondContact O-N 3.38Å; D91-N95 PolarHBondContact O-ND2 2.85Å
92G89.7Confident82.2Confident0 Ų055.1 Ų55.10%031%0.31CS..Hα-helixtrans-67.5-36.2177.700000113.1M48 C88 E90 R96M48-G92 WeakPolarHBondContact SD-CA 3.49Å; C88-G92 PolarHBondContact O-N 2.95Å; E90-G92 PolarHBondContact O-N 3.07Å; G92-R96 VanDerWaalsContact O-CB 3.3Å; G92-R96 WeakPolarHBondContact O-CB 3.49Å; G92-R96 PolarHBondContact O-N 3.22Å
93C86.2Confident81Confident48 Ų4854.3 Ų54.332%0.32431%0.305SS..Hα-helixtrans-63.4-42.7170.1-78.60000111.8L89 E90 R96 S97L89-C93 WeakPolarHBondContact O-CB 3.26Å; L89-C93 PolarHBondContact O-N 2.86Å; L89-C93 PolarHBondContact O-SG 3.49Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 3.24Å; C93-R96 PolarHBondContact O-N 3.36Å; C93-S97 PolarHBondContact O-N 3.21Å
94F85.7Confident79.7Confident119 Ų11956.1 Ų56.152%0.52231%0.308SS..Hα-helixtrans-62.7-48.2176.1179.7-98.1000111E90 D91 R96 S97 Q98E90-F94 WeakPolarHBondContact O-CB 3.41Å; E90-F94 PolarHBondContact O-N 3.2Å; D91-F94 WeakPolarHBondContact O-CB 3.45Å; D91-F94 PolarHBondContact O-N 3.09Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.01Å; F94-S97 WeakPolarHBondContact O-CA 3.33Å; F94-S97 WeakPolarHBondContact O-CB 3.49Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.06Å; F94-Q98 HydrophobicContact CD1-CG 4.05Å; F94-Q98 HydrophobicContact CE1-CG 3.69Å; F94-Q98 HydrophobicContact CE2-CG 4.45Å; F94-Q98 HydrophobicContact CZ-CG 3.93Å; F94-Q98 WeakPolarHBondContact O-CG 3.1Å; F94-Q98 PolarHBondContact O-N 3.44Å
95N86.9Confident78.2Confident50 Ų5058.3 Ų58.327%0.26732%0.324SS..Hα-helixtrans-63-36.9178.5-72.7-21.2000112.5L59 D91 Q98 G99L59-N95 HydrophobicContact CD2-CB 4.45Å; L59-N95 WeakPolarHBondContact O-CB 3.4Å; L59-N95 PolarHBondContact O-ND2 3.14Å; D91-N95 WeakPolarHBondContact O-CB 3.31Å; D91-N95 VanDerWaalsContact O-CG 3.27Å; D91-N95 PolarHBondContact O-N 3.38Å; D91-N95 PolarHBondContact O-ND2 2.85Å; N95-Q98 PolarHBondContact O-N 2.86Å; N95-G99 PolarHBondContact O-N 3.49Å
96R86.5Confident76.8Confident13 Ų1357.7 Ų57.75%0.04932%0.32CS..Hα-helixtrans-59-50.4170.4-170.8-176.1178.4-167.1-0.6110L59 G92 C93 F94 Q98 G99 E100 S107 S110 D130L59-R96 HydrophobicContact CD1-CB 3.94Å; L59-R96 HydrophobicContact CD1-CG 4.32Å; L59-R96 HydrophobicContact CD2-CB 4.05Å; G92-R96 VanDerWaalsContact O-CB 3.3Å; G92-R96 WeakPolarHBondContact O-CB 3.49Å; G92-R96 PolarHBondContact O-N 3.22Å; C93-R96 PolarHBondContact O-N 3.36Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.01Å; R96-Q98 VanDerWaalsContact C-N 3.34Å; R96-Q98 PolarHBondContact O-N 3.49Å; R96-G99 WeakPolarHBondContact O-CA 3.25Å; R96-G99 PolarHBondContact O-N 3Å; R96-G99 VanDerWaalsContact O-N 3.11Å; R96-E100 WeakPolarHBondContact O-CG 3.47Å; R96-E100 PolarHBondContact O-N 2.96Å; R96-S107 PolarHBondContact NH2-O 2.89Å; R96-S107 VanDerWaalsContact NH2-O 3.08Å; R96-S110 PolarHBondContact NE-OG 3.03Å; R96-S110 PolarHBondContact NH2-O 3.24Å; R96-S110 VanDerWaalsContact NH2-O 3.15Å; R96-D130 IonicContact CZ-OD2 3.09Å; R96-D130 IonicContact NH1-OD2 3.68Å; R96-D130 PolarHBondContact NH1-OD2 2.89Å; R96-D130 IonicContact NH2-OD2 2.65Å
97S79.2Confident75.9Confident44 Ų4456.9 Ų56.931%0.30832%0.32SS..Hα-helixtrans-62.4-35.9179.780.10000113.6C93 F94 E100 T101C93-S97 PolarHBondContact O-N 3.21Å; F94-S97 WeakPolarHBondContact O-CA 3.33Å; F94-S97 WeakPolarHBondContact O-CB 3.49Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.06Å; S97-E100 WeakPolarHBondContact O-CB 3.36Å; S97-E100 PolarHBondContact O-N 3.03Å; S97-T101 PolarHBondContact O-N 2.94Å
98Q76.8Confident75.3Confident89 Ų8954.3 Ų54.342%0.41631%0.311SS..Hα-helixtrans-68.1-37.9174.2-66.7-64.2-19.400112F94 N95 R96 E100 T101 A102F94-Q98 HydrophobicContact CD1-CG 4.05Å; F94-Q98 HydrophobicContact CE1-CG 3.69Å; F94-Q98 HydrophobicContact CE2-CG 4.45Å; F94-Q98 HydrophobicContact CZ-CG 3.93Å; F94-Q98 WeakPolarHBondContact O-CG 3.1Å; F94-Q98 PolarHBondContact O-N 3.44Å; N95-Q98 PolarHBondContact O-N 2.86Å; R96-Q98 VanDerWaalsContact C-N 3.34Å; R96-Q98 PolarHBondContact O-N 3.49Å; Q98-E100 PolarHBondContact O-N 3.42Å; Q98-T101 PolarHBondContact O-N 3.25Å; Q98-T101 PolarHBondContact O-OG1 2.9Å; Q98-A102 WeakPolarHBondContact O-CB 3.34Å; Q98-A102 PolarHBondContact O-N 2.81Å; Q98-A102 VanDerWaalsContact O-N 3.09Å
99G70.6Confident74.8Confident6 Ų655.4 Ų55.46%0.06231%0.312CS..Hα-helixtrans-59.3-37.3170.400000112.3N95 R96 M103N95-G99 PolarHBondContact O-N 3.49Å; R96-G99 WeakPolarHBondContact O-CA 3.25Å; R96-G99 PolarHBondContact O-N 3Å; R96-G99 VanDerWaalsContact O-N 3.11Å; G99-M103 WeakPolarHBondContact O-CB 3.44Å; G99-M103 PolarHBondContact O-N 2.73Å
100E70.6Confident74.7Confident25 Ų2553.5 Ų53.512%0.11730%0.302CS..Hα-helixtrans-70.3-38.8178.2-63.3170.8-15300113.4R96 S97 Q98 M103 N104 V105 S106 S107R96-E100 WeakPolarHBondContact O-CG 3.47Å; R96-E100 PolarHBondContact O-N 2.96Å; S97-E100 WeakPolarHBondContact O-CB 3.36Å; S97-E100 PolarHBondContact O-N 3.03Å; Q98-E100 PolarHBondContact O-N 3.42Å; E100-M103 CarbonylContact O-C 3.08Å; E100-M103 PolarHBondContact O-N 3.11Å; E100-N104 CarbonylContact O-C 3.52Å; E100-N104 PolarHBondContact O-N 2.99Å; E100-V105 PolarHBondContact O-N 2.82Å; E100-S106 WeakPolarHBondContact CA-OG 3.26Å; E100-S106 VanDerWaalsContact CG-OG 3.27Å; E100-S106 WeakPolarHBondContact CG-OG 3.44Å; E100-S107 WeakPolarHBondContact OE1-CA 3.39Å; E100-S107 WeakPolarHBondContact OE1-CB 3.33Å; E100-S107 PolarHBondContact OE1-N 2.96Å; E100-S107 WeakPolarHBondContact OE2-CA 3.31Å; E100-S107 WeakPolarHBondContact OE2-CB 3.34Å; E100-S107 PolarHBondContact OE2-N 3.07Å; E100-S107 VanDerWaalsContact OE2-N 3.07Å; E100-S107 PolarHBondContact OE2-OG 2.67Å
101T60.4Low74.8Confident104 Ų10450.1 Ų50.164%0.63829%0.287SS*.Hα-helixtrans-71.6-40.4178.555.50000111.2S97 Q98 M103S97-T101 PolarHBondContact O-N 2.94Å; Q98-T101 PolarHBondContact O-N 3.25Å; Q98-T101 PolarHBondContact O-OG1 2.9Å; T101-M103 PolarHBondContact O-N 2.83Å
102A59.8Low75Confident84 Ų8447 Ų4769%0.69427%0.27SS*.Hα-helixtrans-62.4-30.8172.200000112.1Q98Q98-A102 WeakPolarHBondContact O-CB 3.34Å; Q98-A102 PolarHBondContact O-N 2.81Å; Q98-A102 VanDerWaalsContact O-N 3.09Å
103M55.1Low75.2Confident61 Ų6147.3 Ų47.330%0.327%0.272SS..THydrogen-bonded Turntrans-122.154.4-178.4-61-170.1-68.400112.9Y52 G99 E100 T101 V105Y52-M103 HydrophobicContact CD1-CE 3.99Å; Y52-M103 HydrophobicContact CE1-CE 3.78Å; Y52-M103 HydrophobicContact CE1-SD 3.93Å; G99-M103 WeakPolarHBondContact O-CB 3.44Å; G99-M103 PolarHBondContact O-N 2.73Å; E100-M103 CarbonylContact O-C 3.08Å; E100-M103 PolarHBondContact O-N 3.11Å; T101-M103 PolarHBondContact O-N 2.83Å; M103-V105 PolarHBondContact O-N 3.47Å
104N56.4Low75.6Confident112 Ų11245.4 Ų45.460%0.59926%0.258SS*.THydrogen-bonded Turntrans43.768.4166.3-70.5-51.9000115.9E100E100-N104 CarbonylContact O-C 3.52Å; E100-N104 PolarHBondContact O-N 2.99Å
105V55.1Low76Confident106 Ų10640 Ų4064%0.64224%0.235SC*.SBendtrans5383.6168.7-169.10000113.9E100 M103E100-V105 PolarHBondContact O-N 2.82Å; M103-V105 PolarHBondContact O-N 3.47Å
106S59.4Low76.3Confident0 Ų039 Ų390%023%0.229CC..  trans-119.28-172720000117.5E100 S108 R109 S110E100-S106 WeakPolarHBondContact CA-OG 3.26Å; E100-S106 VanDerWaalsContact CG-OG 3.27Å; E100-S106 WeakPolarHBondContact CG-OG 3.44Å; S106-S108 VanDerWaalsContact C-N 3.25Å; S106-S108 PolarHBondContact O-N 3.28Å; S106-R109 CarbonylContact O-C 3.34Å; S106-R109 VanDerWaalsContact O-CA 3.29Å; S106-R109 WeakPolarHBondContact O-CA 3.23Å; S106-R109 WeakPolarHBondContact O-CB 3.39Å; S106-R109 PolarHBondContact O-N 3.01Å; S106-S110 PolarHBondContact O-N 2.94Å; S106-S110 VanDerWaalsContact O-N 3.1Å
107S68.7Low76.6Confident45 Ų4540 Ų4032%0.31523%0.233SC..G310 helixtrans-59.3-39.9178.3220000111.8R96 E100 R109R96-S107 PolarHBondContact NH2-O 2.89Å; R96-S107 VanDerWaalsContact NH2-O 3.08Å; E100-S107 WeakPolarHBondContact OE1-CA 3.39Å; E100-S107 WeakPolarHBondContact OE1-CB 3.33Å; E100-S107 PolarHBondContact OE1-N 2.96Å; E100-S107 WeakPolarHBondContact OE2-CA 3.31Å; E100-S107 WeakPolarHBondContact OE2-CB 3.34Å; E100-S107 PolarHBondContact OE2-N 3.07Å; E100-S107 VanDerWaalsContact OE2-N 3.07Å; E100-S107 PolarHBondContact OE2-OG 2.67Å; S107-R109 PolarHBondContact O-N 3.32Å; S107-R109 VanDerWaalsContact O-N 3.14Å
108S75.9Confident77.1Confident29 Ų2938 Ų3820%0.20322%0.219CC..G310 helixtrans-64.3-12.9174.253.20000113.6T19 S106 G133T19-S108 WeakPolarHBondContact OG1-CB 3.38Å; S106-S108 VanDerWaalsContact C-N 3.25Å; S106-S108 PolarHBondContact O-N 3.28Å; S108-G133 PolarHBondContact O-N 3.45Å
109R79.6Confident77.6Confident42 Ų4235.8 Ų35.816%0.15821%0.212CC..G310 helixtrans-123.15.7-164.8-73.5-162.6-174.8168.86.4113.6Y52 S106 S107 E149 I153Y52-R109 HydrophobicContact CE2-CB 4.45Å; S106-R109 CarbonylContact O-C 3.34Å; S106-R109 VanDerWaalsContact O-CA 3.29Å; S106-R109 WeakPolarHBondContact O-CA 3.23Å; S106-R109 WeakPolarHBondContact O-CB 3.39Å; S106-R109 PolarHBondContact O-N 3.01Å; S107-R109 PolarHBondContact O-N 3.32Å; S107-R109 VanDerWaalsContact O-N 3.14Å; R109-E149 VanDerWaalsContact CD-CD 3.47Å; R109-E149 WeakPolarHBondContact CD-OE1 3.38Å; R109-E149 IonicContact CZ-OE2 2.76Å; R109-E149 IonicContact NH1-OE1 3.02Å; R109-E149 IonicContact NH1-OE2 3.33Å; R109-E149 PolarHBondContact NH1-OE2 2.54Å; R109-I153 HydrophobicContact CB-CD1 3.3Å; R109-I153 HydrophobicContact CB-CG1 4.41Å; R109-I153 HydrophobicContact CG-CD1 3.52Å; R109-I153 WeakPolarHBondContact O-CD1 3.39Å; R109-I153 WeakPolarHBondContact O-CG1 3.03Å
110S88.7Confident77.9Confident0 Ų041 Ų410%023%0.233CC..SBendtrans-129153.6170.9670000110.9E50 I51 R96 S106 A132E50-S110 WeakPolarHBondContact OE1-CB 3.4Å; E50-S110 PolarHBondContact OE1-OG 3.26Å; I51-S110 WeakPolarHBondContact O-CA 3.33Å; I51-S110 WeakPolarHBondContact O-CB 3.44Å; R96-S110 PolarHBondContact NE-OG 3.03Å; R96-S110 PolarHBondContact NH2-O 3.24Å; R96-S110 VanDerWaalsContact NH2-O 3.15Å; S106-S110 PolarHBondContact O-N 2.94Å; S106-S110 VanDerWaalsContact O-N 3.1Å; S110-A132 PolarHBondContact O-N 3.44Å
111H91.4Very high77.8Confident5 Ų544 Ų442%0.02325%0.248CC..EExtended strand (participates in β ladder)trans-94.4132.6170.2-48.7-87.1000108.4E50 I51 D130 L131 A132 L184E50-H111 CarbonylContact C-O 3.56Å; E50-H111 WeakPolarHBondContact CA-O 3.3Å; I51-H111 HydrophobicContact CB-CB 4.13Å; I51-H111 HydrophobicContact CD1-CB 4.44Å; I51-H111 HydrophobicContact CG1-CB 4.49Å; I51-H111 PolarHBondContact N-O 2.87Å; I51-H111 PolarHBondContact O-N 3.45Å; H111-D130 CarbonylContact C-O 3.54Å; H111-D130 WeakPolarHBondContact CA-O 3.35Å; H111-L131 HydrophobicContact CB-CD2 4.46Å; H111-L131 WeakPolarHBondContact ND1-CA 3.16Å; H111-L131 WeakPolarHBondContact ND1-CD2 3.44Å; H111-A132 PolarHBondContact CE1-N 3.03Å; H111-A132 PolarHBondContact ND1-N 2.98Å; H111-L184 HydrophobicContact CB-CD1 4.28Å
112A92.9Very high78.6Confident4 Ų439.8 Ų39.83%0.03322%0.224CC..EExtended strand (participates in β ladder)trans-107.5136.2170.300000110.3M48 L49 V129 D130M48-A112 HydrophobicContact CE-CB 4.36Å; L49-A112 CarbonylContact O-C 3.52Å; L49-A112 WeakPolarHBondContact O-CA 3.47Å; A112-V129 CarbonylContact O-C 3.51Å; A112-V129 WeakPolarHBondContact O-CA 3.37Å; A112-D130 HydrophobicContact CB-CB 4.34Å; A112-D130 PolarHBondContact N-O 2.83Å; A112-D130 PolarHBondContact O-N 3.31Å
113I94.3Very high79.9Confident7 Ų741.8 Ų41.84%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-127.1102.4177.5-57176.1000107.5M48 L49 I51 V129 L187 L188M48-I113 WeakPolarHBondContact CA-O 3.47Å; L49-I113 HydrophobicContact CB-CB 4.48Å; L49-I113 PolarHBondContact N-O 2.81Å; L49-I113 PolarHBondContact O-N 3.03Å; I51-I113 HydrophobicContact CD1-CD1 3.9Å; I113-V129 HydrophobicContact CG1-CG1 4.09Å; I113-V129 HydrophobicContact CG1-CG2 4.24Å; I113-V129 HydrophobicContact CG2-CG2 4.21Å; I113-L187 HydrophobicContact CD1-CB 4.14Å; I113-L187 HydrophobicContact CD1-CD1 4.11Å; I113-L188 HydrophobicContact CD1-CD2 4.48Å
114F94.4Very high81.6Confident9 Ų939 Ų394%0.03920%0.2CC..EExtended strand (participates in β ladder)trans-91.9123.6168.9-175.6-115.5000108.9C46 S47 M48 T85 L89 I116 L128C46-F114 HydrophobicContact CB-CE2 3.86Å; C46-F114 HydrophobicContact CB-CZ 3.83Å; S47-F114 CarbonylContact O-C 3.55Å; S47-F114 WeakPolarHBondContact O-CA 3.44Å; M48-F114 HydrophobicContact CB-CD2 3.87Å; M48-F114 HydrophobicContact CG-CB 4.29Å; M48-F114 HydrophobicContact CG-CD2 3.99Å; M48-F114 HydrophobicContact SD-CD2 4.15Å; T85-F114 HydrophobicContact CG2-CE1 4.31Å; T85-F114 HydrophobicContact CG2-CZ 4.02Å; L89-F114 HydrophobicContact CB-CE1 4.36Å; L89-F114 HydrophobicContact CB-CE2 4.3Å; L89-F114 HydrophobicContact CB-CZ 4.08Å; L89-F114 HydrophobicContact CD1-CB 4.25Å; L89-F114 HydrophobicContact CD1-CD1 4.04Å; L89-F114 HydrophobicContact CD1-CD2 4.15Å; L89-F114 HydrophobicContact CD1-CE1 4.38Å; L89-F114 HydrophobicContact CD1-CG 3.9Å; F114-I116 HydrophobicContact CD1-CD1 4.49Å; F114-I116 HydrophobicContact CD1-CG1 4.12Å; F114-I116 HydrophobicContact CE1-CD1 3.86Å; F114-I116 HydrophobicContact CE1-CG1 3.56Å; F114-I116 HydrophobicContact CZ-CG1 4.19Å; F114-L128 HydrophobicContact CB-CB 4.32Å; F114-L128 HydrophobicContact CD1-CD1 4.2Å; F114-L128 PolarHBondContact N-O 2.88Å; F114-L128 PolarHBondContact O-N 2.87Å
115T94.5Very high83.3Confident6 Ų635.7 Ų35.74%0.03718%0.18CC..EExtended strand (participates in β ladder)trans-118.6127.1-178.8-53.40000109.4C46 S47 Y117 K125 L126 N127C46-T115 CarbonylContact C-O 3.36Å; C46-T115 WeakPolarHBondContact CA-O 3.42Å; C46-T115 WeakPolarHBondContact CB-O 3.22Å; S47-T115 PolarHBondContact N-O 2.81Å; S47-T115 PolarHBondContact O-N 3.43Å; S47-T115 WeakPolarHBondContact OG-CB 3.31Å; T115-Y117 HydrophobicContact CG2-CD1 4.09Å; T115-Y117 HydrophobicContact CG2-CD2 4.17Å; T115-Y117 HydrophobicContact CG2-CE1 3.59Å; T115-Y117 HydrophobicContact CG2-CE2 3.66Å; T115-Y117 HydrophobicContact CG2-CG 4.36Å; T115-K125 HydrophobicContact CG2-CB 3.84Å; T115-L126 CarbonylContact C-O 3.56Å; T115-L126 WeakPolarHBondContact CA-O 3.49Å; T115-N127 WeakPolarHBondContact CG2-OD1 3.47Å; T115-N127 PolarHBondContact OG1-OD1 3.43Å
116I93.3Very high85.2Confident28 Ų2831.7 Ų31.714%0.14416%0.155CC..EExtended strand (participates in β ladder)trans-103124.9169.6-56.1171.9000107.5F5 F44 T85 F114 K125 L126F5-I116 HydrophobicContact CZ-CG2 4.28Å; F44-I116 HydrophobicContact CD1-CG2 3.99Å; T85-I116 HydrophobicContact CG2-CD1 4.1Å; T85-I116 HydrophobicContact CG2-CG1 4.25Å; F114-I116 HydrophobicContact CD1-CD1 4.49Å; F114-I116 HydrophobicContact CD1-CG1 4.12Å; F114-I116 HydrophobicContact CE1-CD1 3.86Å; F114-I116 HydrophobicContact CE1-CG1 3.56Å; F114-I116 HydrophobicContact CZ-CG1 4.19Å; I116-K125 CarbonylContact O-C 3.59Å; I116-K125 WeakPolarHBondContact O-CA 3.49Å; I116-L126 HydrophobicContact CB-CB 4.4Å; I116-L126 HydrophobicContact CD1-CD2 4.43Å; I116-L126 PolarHBondContact N-O 2.78Å; I116-L126 PolarHBondContact O-N 3.43Å
117Y92.6Very high87Confident33 Ų3331.9 Ų31.913%0.12916%0.156CC..EExtended strand (participates in β ladder)trans-103.8128.6174.3-55-85.3000109.5F44 S45 S47 I76 T115 R123 T124 K125F44-Y117 WeakPolarHBondContact CA-O 3.11Å; S45-Y117 PolarHBondContact N-O 3.18Å; S45-Y117 PolarHBondContact O-N 3.38Å; S45-Y117 WeakPolarHBondContact OG-CB 3.47Å; S47-Y117 WeakPolarHBondContact OG-CE2 3.43Å; S47-Y117 PolarHBondContact OG-OH 3.02Å; I76-Y117 HydrophobicContact CD1-CE2 4.19Å; I76-Y117 HydrophobicContact CG1-CE2 4.11Å; I76-Y117 HydrophobicContact CG2-CD2 4.33Å; I76-Y117 HydrophobicContact CG2-CE2 4.47Å; T115-Y117 HydrophobicContact CG2-CD1 4.09Å; T115-Y117 HydrophobicContact CG2-CD2 4.17Å; T115-Y117 HydrophobicContact CG2-CE1 3.59Å; T115-Y117 HydrophobicContact CG2-CE2 3.66Å; T115-Y117 HydrophobicContact CG2-CG 4.36Å; Y117-R123 HydrophobicContact CD1-CG 3.98Å; Y117-R123 HydrophobicContact CG-CG 4.48Å; Y117-T124 CarbonylContact C-O 3.55Å; Y117-T124 VanDerWaalsContact CA-O 3.27Å; Y117-T124 WeakPolarHBondContact CA-O 3.46Å; Y117-K125 HydrophobicContact CD1-CB 3.75Å; Y117-K125 HydrophobicContact CE1-CB 3.89Å; Y117-K125 HydrophobicContact CE1-CD 4.45Å
118M89.9Confident88.2Confident3 Ų331.8 Ų31.82%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-107.7126.4168.5179.3-170.865.300108.5F5 F6 F42 F44 T124F5-M118 HydrophobicContact CE1-CB 3.92Å; F5-M118 HydrophobicContact CE2-CB 4.04Å; F5-M118 HydrophobicContact CZ-CB 3.42Å; F5-M118 VanDerWaalsContact CZ-CB 3.42Å; F5-M118 WeakPolarHBondContact O-CE 3.39Å; F6-M118 HydrophobicContact CD1-SD 3.76Å; F6-M118 HydrophobicContact CE1-SD 4.21Å; F42-M118 HydrophobicContact CB-CG 3.81Å; F42-M118 HydrophobicContact CB-SD 4.3Å; F42-M118 HydrophobicContact CD2-CG 4.42Å; F42-M118 HydrophobicContact CD2-SD 3.79Å; F42-M118 HydrophobicContact CE2-SD 4.4Å; F42-M118 HydrophobicContact CG-CG 4.13Å; F42-M118 HydrophobicContact CG-SD 3.98Å; F44-M118 HydrophobicContact CD1-CB 4.01Å; F44-M118 HydrophobicContact CD1-CG 4.37Å; F44-M118 HydrophobicContact CE1-CB 3.6Å; F44-M118 HydrophobicContact CE1-CG 3.72Å; F44-M118 HydrophobicContact CE1-SD 4.33Å; F44-M118 HydrophobicContact CZ-CB 4.27Å; F44-M118 HydrophobicContact CZ-CG 3.87Å; F44-M118 HydrophobicContact CZ-SD 4.2Å; M118-T124 VanDerWaalsContact CE-OG1 3.28Å; M118-T124 WeakPolarHBondContact CE-OG1 3.37Å; M118-T124 PolarHBondContact N-O 2.89Å; M118-T124 PolarHBondContact O-N 3.46Å; M118-T124 PolarHBondContact O-OG1 2.95Å
119T85.5Confident89.2Confident43 Ų4330.4 Ų30.426%0.26414%0.142SC..EExtended strand (participates in β ladder)trans-107.7116.5173.3-53.30000108.8Q43 S122Q43-T119 PolarHBondContact N-O 2.88Å; Q43-T119 PolarHBondContact O-N 3.27Å; T119-S122 WeakPolarHBondContact CA-O 3.45Å
120K76.8Confident89.9Confident115 Ų11528.9 Ų28.950%0.514%0.137SC..SBendtrans-121.2-82.5172.7-178.5-177.2-172.1147.40109.7F42 S122F42-K120 HydrophobicContact CD1-CB 3.74Å; F42-K120 HydrophobicContact CD1-CD 3.85Å; F42-K120 HydrophobicContact CD1-CG 3.64Å; F42-K120 HydrophobicContact CE1-CB 4.14Å; F42-K120 HydrophobicContact CE1-CD 3.3Å; F42-K120 VanDerWaalsContact CE1-CE 3.42Å; F42-K120 HydrophobicContact CE1-CG 3.57Å; F42-K120 VanDerWaalsContact CE1-NZ 3.33Å; F42-K120 HydrophobicContact CZ-CD 4.03Å; K120-S122 PolarHBondContact N-O 3.32Å
121I69.2Low90.1Very high87 Ų8728.9 Ų28.945%0.44614%0.137SC..SBendtrans-102.8-26.2172.4-75.4171.2000110L235 D236 A239I121-L235 HydrophobicContact CG2-CD2 3.99Å; I121-D236 WeakPolarHBondContact O-CB 3.32Å; I121-A239 HydrophobicContact CB-CB 4.41Å; I121-A239 HydrophobicContact CG2-CB 2.98Å
122S78Confident90.2Very high17 Ų1728.7 Ų28.712%0.11914%0.136CC..SBendtrans-142.7170.2175.6700000108.4T119 K120 N234T119-S122 WeakPolarHBondContact CA-O 3.45Å; K120-S122 PolarHBondContact N-O 3.32Å; S122-N234 WeakPolarHBondContact CB-O 3.49Å; S122-N234 PolarHBondContact OG-O 2.98Å
123R85.7Confident90.1Very high126 Ų12628.6 Ų28.648%0.47514%0.136SC..EExtended strand (participates in β ladder)trans-85.4126.9169.1-171.6176.8-70.8-179.4-2.9109.6Y117Y117-R123 HydrophobicContact CD1-CG 3.98Å; Y117-R123 HydrophobicContact CG-CG 4.48Å
124T91.2Very high89.9Confident2 Ų229 Ų291%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-123.4144.7177.560.50000107.3G8 Y117 M118 N234G8-T124 VanDerWaalsContact CA-CG2 3.49Å; G8-T124 WeakPolarHBondContact O-CG2 3.42Å; Y117-T124 CarbonylContact C-O 3.55Å; Y117-T124 VanDerWaalsContact CA-O 3.27Å; Y117-T124 WeakPolarHBondContact CA-O 3.46Å; M118-T124 VanDerWaalsContact CE-OG1 3.28Å; M118-T124 WeakPolarHBondContact CE-OG1 3.37Å; M118-T124 PolarHBondContact N-O 2.89Å; M118-T124 PolarHBondContact O-N 3.46Å; M118-T124 PolarHBondContact O-OG1 2.95Å; T124-N234 HydrophobicContact CG2-CB 4.1Å
125K93.2Very high89.5Confident43 Ų4330.5 Ų30.519%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-124141.5-176.368.3178.2-174.8176.50113.1N10 C11 T115 I116 Y117 D190N10-K125 CarbonylContact C-O 3.58Å; N10-K125 WeakPolarHBondContact CA-O 3.34Å; N10-K125 HydrophobicContact CB-CG 4.22Å; N10-K125 PolarHBondContact OD1-N 3.47Å; N10-K125 VanDerWaalsContact OD1-N 3.16Å; C11-K125 PolarHBondContact N-O 3.22Å; T115-K125 HydrophobicContact CG2-CB 3.84Å; I116-K125 CarbonylContact O-C 3.59Å; I116-K125 WeakPolarHBondContact O-CA 3.49Å; Y117-K125 HydrophobicContact CD1-CB 3.75Å; Y117-K125 HydrophobicContact CE1-CB 3.89Å; Y117-K125 HydrophobicContact CE1-CD 4.45Å; K125-D190 WeakPolarHBondContact CE-OD2 3.34Å; K125-D190 IonicContact NZ-OD1 3.02Å; K125-D190 PolarHBondContact NZ-OD1 2.9Å; K125-D190 IonicContact NZ-OD2 2.74Å; K125-D190 PolarHBondContact NZ-OD2 3.4Å
126L95.3Very high88.8Confident22 Ų2237.3 Ų37.312%0.11517%0.171CC..EExtended strand (participates in β ladder)trans-113.9109.6167.9171.661.8000108M1 F5 C11 T115 I116 L128M1-L126 HydrophobicContact CG-CD1 4.41Å; M1-L126 HydrophobicContact SD-CD1 3.85Å; F5-L126 HydrophobicContact CD2-CB 3.81Å; F5-L126 HydrophobicContact CE1-CB 4.45Å; F5-L126 HydrophobicContact CE2-CB 3.76Å; F5-L126 HydrophobicContact CG-CB 4.19Å; F5-L126 HydrophobicContact CZ-CB 4.07Å; C11-L126 HydrophobicContact CB-CD1 3.58Å; C11-L126 WeakPolarHBondContact O-CA 3.43Å; T115-L126 CarbonylContact C-O 3.56Å; T115-L126 WeakPolarHBondContact CA-O 3.49Å; I116-L126 HydrophobicContact CB-CB 4.4Å; I116-L126 HydrophobicContact CD1-CD2 4.43Å; I116-L126 PolarHBondContact N-O 2.78Å; I116-L126 PolarHBondContact O-N 3.43Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CG-CD2 4.29Å
127N95.2Very high87.9Confident4 Ų438.1 Ų38.12%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-93128.6175.9-64.5-5.5000110C11 T12 V13 T115 V129C11-N127 PolarHBondContact O-N 3.05Å; T12-N127 CarbonylContact C-O 3.58Å; T12-N127 WeakPolarHBondContact CA-O 3.37Å; T12-N127 HydrophobicContact CG2-CB 3.91Å; V13-N127 PolarHBondContact N-O 3.26Å; T115-N127 WeakPolarHBondContact CG2-OD1 3.47Å; T115-N127 PolarHBondContact OG1-OD1 3.43Å; N127-V129 HydrophobicContact CB-CG2 4.19Å
128L95.5Very high86.9Confident43 Ų4346.3 Ų46.323%0.22521%0.212CC..EExtended strand (participates in β ladder)trans-113.7109171.4-62.2-171.8000107.8V13 M27 F114 L126V13-L128 HydrophobicContact CB-CD2 4.03Å; V13-L128 HydrophobicContact CG2-CD2 4.04Å; M27-L128 HydrophobicContact CE-CB 3.46Å; M27-L128 VanDerWaalsContact CE-CB 3.46Å; M27-L128 HydrophobicContact CE-CD2 4.03Å; M27-L128 HydrophobicContact CE-CG 4.22Å; F114-L128 HydrophobicContact CB-CB 4.32Å; F114-L128 HydrophobicContact CD1-CD1 4.2Å; F114-L128 PolarHBondContact N-O 2.88Å; F114-L128 PolarHBondContact O-N 2.87Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CG-CD2 4.29Å
129V95.7Very high85.6Confident0 Ų051.1 Ų51.10%023%0.233CC..EExtended strand (participates in β ladder)trans-116.3118-168.2-177.10000110.6T12 V13 F14 A15 A112 I113 N127 L131 L188T12-V129 HydrophobicContact CG2-CG2 4.14Å; V13-V129 PolarHBondContact O-N 3.39Å; F14-V129 CarbonylContact C-O 3.54Å; F14-V129 VanDerWaalsContact CA-O 3.28Å; F14-V129 WeakPolarHBondContact CA-O 3.44Å; F14-V129 HydrophobicContact CB-CB 3.62Å; F14-V129 HydrophobicContact CB-CG1 4.03Å; F14-V129 HydrophobicContact CB-CG2 4.32Å; A15-V129 PolarHBondContact N-O 3.47Å; A112-V129 CarbonylContact O-C 3.51Å; A112-V129 WeakPolarHBondContact O-CA 3.37Å; I113-V129 HydrophobicContact CG1-CG1 4.09Å; I113-V129 HydrophobicContact CG1-CG2 4.24Å; I113-V129 HydrophobicContact CG2-CG2 4.21Å; N127-V129 HydrophobicContact CB-CG2 4.19Å; V129-L131 HydrophobicContact CG1-CD2 3.57Å; V129-L131 HydrophobicContact CG1-CG 4.04Å; V129-L188 HydrophobicContact CG1-CD1 4.43Å; V129-L188 HydrophobicContact CG2-CD2 3.84Å
130D94.3Very high84.4Confident9 Ų951.3 Ų51.35%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-100.8103.5170-178.523.9000108.5K23 T24 M27 R96 H111 A112K23-D130 VanDerWaalsContact CB-OD1 3.31Å; K23-D130 WeakPolarHBondContact CB-OD1 3.32Å; T24-D130 PolarHBondContact OG1-OD2 3.47Å; M27-D130 HydrophobicContact CG-CB 4.2Å; R96-D130 IonicContact CZ-OD2 3.09Å; R96-D130 IonicContact NH1-OD2 3.68Å; R96-D130 PolarHBondContact NH1-OD2 2.89Å; R96-D130 IonicContact NH2-OD2 2.65Å; H111-D130 CarbonylContact C-O 3.54Å; H111-D130 WeakPolarHBondContact CA-O 3.35Å; A112-D130 HydrophobicContact CB-CB 4.34Å; A112-D130 PolarHBondContact N-O 2.83Å; A112-D130 PolarHBondContact O-N 3.31Å
131L94.3Very high84Confident1 Ų155.4 Ų55.41%0.00526%0.255CS..PPolyproline II helixtrans-77.2154.5-179.1-61.6175.7000111.1F14 A15 Y16 K23 H111 V129 L157 L160 L184F14-L131 HydrophobicContact CD2-CD1 3.85Å; A15-L131 WeakPolarHBondContact O-CB 3.34Å; A15-L131 WeakPolarHBondContact O-CG 3.35Å; A15-L131 PolarHBondContact O-N 3.5Å; Y16-L131 HydrophobicContact CD2-CD1 3.76Å; Y16-L131 HydrophobicContact CG-CD1 4.44Å; K23-L131 WeakPolarHBondContact CD-O 3.34Å; K23-L131 WeakPolarHBondContact CE-O 3.44Å; H111-L131 HydrophobicContact CB-CD2 4.46Å; H111-L131 WeakPolarHBondContact ND1-CA 3.16Å; H111-L131 WeakPolarHBondContact ND1-CD2 3.44Å; V129-L131 HydrophobicContact CG1-CD2 3.57Å; V129-L131 HydrophobicContact CG1-CG 4.04Å; L131-L157 HydrophobicContact CB-CD2 4.47Å; L131-L160 HydrophobicContact CD1-CD2 3.86Å; L131-L184 HydrophobicContact CD2-CD1 3.73Å; L131-L184 HydrophobicContact CD2-CD2 4.03Å; L131-L184 HydrophobicContact CD2-CG 4.48Å
132A92.1Very high83.9Confident0 Ų052.2 Ų52.20%024%0.241CC..PPolyproline II helixtrans-57.1164167.500000112.3S110 H111 S134 I153S110-A132 PolarHBondContact O-N 3.44Å; H111-A132 PolarHBondContact CE1-N 3.03Å; H111-A132 PolarHBondContact ND1-N 2.98Å; A132-S134 PolarHBondContact O-N 3.14Å; A132-I153 HydrophobicContact CB-CG2 3.52Å
133G90.4Very high83.7Confident3 Ų359.4 Ų59.43%0.03127%0.273CS..PPolyproline II helixtrans-57.5132.1175.600000112.5S108 E135 L157S108-G133 PolarHBondContact O-N 3.45Å; G133-E135 VanDerWaalsContact C-N 3.3Å; G133-E135 WeakPolarHBondContact CA-OE2 3.45Å; G133-L157 VanDerWaalsContact O-CD1 3.31Å; G133-L157 WeakPolarHBondContact O-CD1 2.73Å
134S91.3Very high83.5Confident15 Ų1555.8 Ų55.811%0.10528%0.275CS..  trans-84.30.4179.568.20000114.8Y16 G17 Q18 A132Y16-S134 VanDerWaalsContact CZ-CB 3.47Å; Y16-S134 WeakPolarHBondContact OH-CB 3.33Å; G17-S134 PolarHBondContact O-N 3.3Å; G17-S134 VanDerWaalsContact O-N 3.15Å; G17-S134 PolarHBondContact O-OG 3.01Å; Q18-S134 PolarHBondContact N-OG 3.3Å; A132-S134 PolarHBondContact O-N 3.14Å
135E86.7Confident82.9Confident40 Ų4062 Ų6219%0.18731%0.308CS..  trans-66.9146.7-176.863-82.6-167.600112.9Q18 T19 G133 E213Q18-E135 WeakPolarHBondContact CA-OE2 3.36Å; Q18-E135 HydrophobicContact CB-CB 4.27Å; T19-E135 WeakPolarHBondContact CB-OE1 3.46Å; T19-E135 PolarHBondContact N-OE2 3.4Å; T19-E135 PolarHBondContact OG1-OE1 3.46Å; T19-E135 PolarHBondContact OG1-OE2 2.88Å; G133-E135 VanDerWaalsContact C-N 3.3Å; G133-E135 WeakPolarHBondContact CA-OE2 3.45Å; E135-E213 HydrophobicContact CB-CG 4.44Å
136R79.1Confident82Confident150 Ų15065.7 Ų65.757%0.56632%0.321SS*.  trans-73.3137.1179.4-62.4-179.1-177.5-179.91.7111.1K138 K139R136-K138 PolarHBondContact O-N 3.18Å; R136-K139 WeakPolarHBondContact O-CB 3.29Å; R136-K139 PolarHBondContact O-N 3.05Å
137L74.5Confident81.2Confident44 Ų4469.5 Ų69.523%0.2334%0.339CS..G310 helixtrans-54.6-28.3176.2-72.6158.2000114.5K139 T140 G150 I151 N154L137-K139 PolarHBondContact O-N 3.23Å; L137-K139 VanDerWaalsContact O-N 3.08Å; L137-T140 CarbonylContact O-C 3.53Å; L137-T140 WeakPolarHBondContact O-CA 3.29Å; L137-T140 PolarHBondContact O-N 3.24Å; L137-T140 PolarHBondContact O-OG1 2.81Å; L137-G150 WeakPolarHBondContact CD1-O 3.01Å; L137-I151 HydrophobicContact CD1-CB 4.36Å; L137-I151 HydrophobicContact CD1-CG1 3.8Å; L137-N154 VanDerWaalsContact CG-ND2 3.34Å; L137-N154 WeakPolarHBondContact CG-ND2 3.33Å
138K71.6Confident80.5Confident206 Ų20676 Ų7690%0.89637%0.367SS*.G310 helixtrans-60.2-22178.1-66.7-173.1177.5-175.30112.8R136R136-K138 PolarHBondContact O-N 3.18Å
139K62.9Low79.6Confident104 Ų10474.9 Ų74.945%0.45236%0.361SS..G310 helixtrans-81.8-17.2173.2-69.7-174.6171.2171.30112.8R136 L137 E213R136-K139 WeakPolarHBondContact O-CB 3.29Å; R136-K139 PolarHBondContact O-N 3.05Å; L137-K139 PolarHBondContact O-N 3.23Å; L137-K139 VanDerWaalsContact O-N 3.08Å; K139-E213 WeakPolarHBondContact CD-OE1 3.44Å; K139-E213 WeakPolarHBondContact CE-OE1 3.49Å; K139-E213 IonicContact NZ-OE1 2.94Å; K139-E213 PolarHBondContact NZ-OE1 2.87Å
140T60.4Low78.7Confident46 Ų4675 Ų7528%0.28236%0.362SS..SBendtrans-94.8120.9177.672.90000108.2L137 A142L137-T140 CarbonylContact O-C 3.53Å; L137-T140 WeakPolarHBondContact O-CA 3.29Å; L137-T140 PolarHBondContact O-N 3.24Å; L137-T140 PolarHBondContact O-OG1 2.81Å; T140-A142 PolarHBondContact O-N 3.26Å
141Q66.5Low78.2Confident202 Ų20278 Ų7894%0.94438%0.377SS*.  trans-74.441.6173.3-64.3-178-13.600110.8
142A67.6Low77.7Confident19 Ų1981.4 Ų81.416%0.15739%0.392CS..  trans-84.7122.5-172.600000110.4T140 R146 M147T140-A142 PolarHBondContact O-N 3.26Å; A142-R146 HydrophobicContact CB-CB 3.88Å; A142-M147 WeakPolarHBondContact O-CB 3.33Å
143E74.5Confident77.2Confident168 Ų16882 Ų8279%0.78540%0.395SS*.  trans-109.9161.1176.9-64.3-173.7168.900112.1N145 R146E143-N145 PolarHBondContact O-N 3.43Å; E143-R146 PolarHBondContact O-N 3.1Å
144G81.8Confident76.9Confident51 Ų5183.8 Ų83.853%0.52640%0.404SS..THydrogen-bonded Turntrans60.5-126.4173.200000113.8R146 M147 K148G144-R146 VanDerWaalsContact C-N 3.31Å; G144-R146 PolarHBondContact O-N 2.96Å; G144-M147 WeakPolarHBondContact O-CB 3.27Å; G144-M147 PolarHBondContact O-N 3.21Å; G144-K148 PolarHBondContact O-N 2.82Å
145N78Confident76.8Confident131 Ų13186.8 Ų86.870%0.70142%0.417SS*.Hα-helixtrans-64-34.1-177.2-71.3-18.6000112.9E143 M147 K148 E149E143-N145 PolarHBondContact O-N 3.43Å; N145-M147 VanDerWaalsContact C-N 3.25Å; N145-M147 PolarHBondContact O-N 2.92Å; N145-K148 PolarHBondContact O-N 2.87Å; N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 2.89Å
146R74.2Confident77Confident121 Ų12184.9 Ų84.946%0.45741%0.408SS..Hα-helixtrans-64.9-32176.9-69.4-177.6168.7156.1-0.9111.9A142 E143 G144 G150A142-R146 HydrophobicContact CB-CB 3.88Å; E143-R146 PolarHBondContact O-N 3.1Å; G144-R146 VanDerWaalsContact C-N 3.31Å; G144-R146 PolarHBondContact O-N 2.96Å; R146-G150 PolarHBondContact O-N 3.37Å
147M78.7Confident77.6Confident103 Ų10378.2 Ų78.251%0.50738%0.383SS..Hα-helixtrans-67.2-47.7174-168.1-173.5-176.500111A142 G144 N145 E149 G150 I151A142-M147 WeakPolarHBondContact O-CB 3.33Å; G144-M147 WeakPolarHBondContact O-CB 3.27Å; G144-M147 PolarHBondContact O-N 3.21Å; N145-M147 VanDerWaalsContact C-N 3.25Å; N145-M147 PolarHBondContact O-N 2.92Å; M147-E149 PolarHBondContact O-N 3.32Å; M147-G150 PolarHBondContact O-N 3.06Å; M147-I151 HydrophobicContact CG-CD1 4.36Å; M147-I151 VanDerWaalsContact O-CG1 3.3Å; M147-I151 WeakPolarHBondContact O-CG1 3.38Å; M147-I151 PolarHBondContact O-N 3.04Å
148K80.4Confident78.5Confident141 Ų14181.3 Ų81.361%0.61340%0.399SS*.Hα-helixtrans-61.1-44.7179.6-68.6-178.8178.8176.70112.4G144 N145 I151 K152G144-K148 PolarHBondContact O-N 2.82Å; N145-K148 PolarHBondContact O-N 2.87Å; K148-I151 WeakPolarHBondContact O-CB 3.44Å; K148-I151 PolarHBondContact O-N 3.37Å; K148-K152 WeakPolarHBondContact O-CG 3.4Å; K148-K152 PolarHBondContact O-N 2.56Å
149E75.6Confident79.6Confident19 Ų1971.7 Ų71.79%0.08936%0.359CS..Hα-helixtrans-59-49.9174.8178.2-164-179.700111Y52 R109 N145 M147 I151 K152 I153Y52-E149 HydrophobicContact CE2-CG 3.95Å; Y52-E149 WeakPolarHBondContact CE2-OE1 3.41Å; Y52-E149 VanDerWaalsContact CZ-OE1 3.29Å; Y52-E149 WeakPolarHBondContact OH-CG 3.37Å; Y52-E149 PolarHBondContact OH-OE1 3.24Å; R109-E149 VanDerWaalsContact CD-CD 3.47Å; R109-E149 WeakPolarHBondContact CD-OE1 3.38Å; R109-E149 IonicContact CZ-OE2 2.76Å; R109-E149 IonicContact NH1-OE1 3.02Å; R109-E149 IonicContact NH1-OE2 3.33Å; R109-E149 PolarHBondContact NH1-OE2 2.54Å; N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 2.89Å; M147-E149 PolarHBondContact O-N 3.32Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.48Å; E149-K152 WeakPolarHBondContact O-CB 3.41Å; E149-K152 PolarHBondContact O-N 3.49Å; E149-I153 HydrophobicContact CG-CD1 3.91Å; E149-I153 WeakPolarHBondContact O-CD1 3.42Å; E149-I153 WeakPolarHBondContact O-CG1 3.49Å; E149-I153 PolarHBondContact O-N 3.3Å
150G78.4Confident81.1Confident3 Ų366.8 Ų66.83%0.03134%0.337CS..Hα-helixtrans-56-40176.600000113.7L137 R146 M147 K152 I153 N154L137-G150 WeakPolarHBondContact CD1-O 3.01Å; R146-G150 PolarHBondContact O-N 3.37Å; M147-G150 PolarHBondContact O-N 3.06Å; G150-K152 VanDerWaalsContact C-N 3.35Å; G150-I153 PolarHBondContact O-N 2.96Å; G150-N154 PolarHBondContact O-N 3.5Å; G150-N154 VanDerWaalsContact O-N 3.14Å
151I83.3Confident82.7Confident70 Ų7064.9 Ų64.936%0.35933%0.327SS..Hα-helixtrans-59.4-47.4174.3-69.4165.3000110L137 M147 K148 E149 I153 N154 E155L137-I151 HydrophobicContact CD1-CB 4.36Å; L137-I151 HydrophobicContact CD1-CG1 3.8Å; M147-I151 HydrophobicContact CG-CD1 4.36Å; M147-I151 VanDerWaalsContact O-CG1 3.3Å; M147-I151 WeakPolarHBondContact O-CG1 3.38Å; M147-I151 PolarHBondContact O-N 3.04Å; K148-I151 WeakPolarHBondContact O-CB 3.44Å; K148-I151 PolarHBondContact O-N 3.37Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.48Å; I151-I153 PolarHBondContact O-N 3.47Å; I151-N154 CarbonylContact O-C 3.35Å; I151-N154 PolarHBondContact O-N 3.02Å; I151-E155 HydrophobicContact CG2-CG 4.38Å; I151-E155 WeakPolarHBondContact O-CG 3.41Å; I151-E155 PolarHBondContact O-N 3.32Å
152K84.2Confident84.1Confident73 Ų7358.5 Ų58.532%0.31730%0.299SS..Hα-helixtrans-65.1-37-177.7-71.1-83.3164.6-144.20113.3N53 K148 E149 G150 N154 E155 G156N53-K152 WeakPolarHBondContact OD1-CB 3.44Å; N53-K152 VanDerWaalsContact OD1-CG 3.25Å; N53-K152 WeakPolarHBondContact OD1-CG 3.47Å; K148-K152 WeakPolarHBondContact O-CG 3.4Å; K148-K152 PolarHBondContact O-N 2.56Å; E149-K152 WeakPolarHBondContact O-CB 3.41Å; E149-K152 PolarHBondContact O-N 3.49Å; G150-K152 VanDerWaalsContact C-N 3.35Å; K152-N154 VanDerWaalsContact C-N 3.35Å; K152-E155 WeakPolarHBondContact CD-OE2 3.45Å; K152-E155 WeakPolarHBondContact CE-OE2 3.42Å; K152-E155 VanDerWaalsContact NZ-CD 3.29Å; K152-E155 IonicContact NZ-OE1 3.5Å; K152-E155 PolarHBondContact NZ-OE1 3.17Å; K152-E155 VanDerWaalsContact NZ-OE1 3.09Å; K152-E155 IonicContact NZ-OE2 3.79Å; K152-E155 PolarHBondContact NZ-OE2 2.86Å; K152-E155 WeakPolarHBondContact O-CB 3.44Å; K152-E155 PolarHBondContact O-N 2.94Å; K152-G156 PolarHBondContact O-N 2.74Å; K152-G156 VanDerWaalsContact O-N 3.15Å
153I80Confident85.4Confident12 Ų1257.6 Ų57.66%0.06229%0.292CS..Hα-helixtrans-63.9-45.7174.9-65.9154.5000110.5R109 A132 E149 G150 I151 E155 G156 L157R109-I153 HydrophobicContact CB-CD1 3.3Å; R109-I153 HydrophobicContact CB-CG1 4.41Å; R109-I153 HydrophobicContact CG-CD1 3.52Å; R109-I153 WeakPolarHBondContact O-CD1 3.39Å; R109-I153 WeakPolarHBondContact O-CG1 3.03Å; A132-I153 HydrophobicContact CB-CG2 3.52Å; E149-I153 HydrophobicContact CG-CD1 3.91Å; E149-I153 WeakPolarHBondContact O-CD1 3.42Å; E149-I153 WeakPolarHBondContact O-CG1 3.49Å; E149-I153 PolarHBondContact O-N 3.3Å; G150-I153 PolarHBondContact O-N 2.96Å; I151-I153 PolarHBondContact O-N 3.47Å; I153-E155 VanDerWaalsContact C-N 3.3Å; I153-E155 PolarHBondContact O-N 3.42Å; I153-G156 PolarHBondContact O-N 2.77Å; I153-L157 PolarHBondContact O-N 3.12Å; I153-L157 VanDerWaalsContact O-N 3.13Å
154N84.4Confident86.4Confident42 Ų4249.6 Ų49.623%0.22525%0.254CS..Hα-helixtrans-68.8-28.6176.6-80.2-16.4000112.8L137 G150 I151 K152 G156 L158L137-N154 VanDerWaalsContact CG-ND2 3.34Å; L137-N154 WeakPolarHBondContact CG-ND2 3.33Å; G150-N154 PolarHBondContact O-N 3.5Å; G150-N154 VanDerWaalsContact O-N 3.14Å; I151-N154 CarbonylContact O-C 3.35Å; I151-N154 PolarHBondContact O-N 3.02Å; K152-N154 VanDerWaalsContact C-N 3.35Å; N154-G156 VanDerWaalsContact C-N 3.35Å; N154-L158 WeakPolarHBondContact O-CA 3.35Å; N154-L158 WeakPolarHBondContact O-CB 3.38Å; N154-L158 PolarHBondContact O-N 3.25Å
155E89.5Confident86.9Confident78 Ų7848.1 Ų48.136%0.36424%0.236SC..Hα-helixtrans-60.2-44.7169.4-73.9173.4-165.400110.9I151 K152 I153 L158 A159I151-E155 HydrophobicContact CG2-CG 4.38Å; I151-E155 WeakPolarHBondContact O-CG 3.41Å; I151-E155 PolarHBondContact O-N 3.32Å; K152-E155 WeakPolarHBondContact CD-OE2 3.45Å; K152-E155 WeakPolarHBondContact CE-OE2 3.42Å; K152-E155 VanDerWaalsContact NZ-CD 3.29Å; K152-E155 IonicContact NZ-OE1 3.5Å; K152-E155 PolarHBondContact NZ-OE1 3.17Å; K152-E155 VanDerWaalsContact NZ-OE1 3.09Å; K152-E155 IonicContact NZ-OE2 3.79Å; K152-E155 PolarHBondContact NZ-OE2 2.86Å; K152-E155 WeakPolarHBondContact O-CB 3.44Å; K152-E155 PolarHBondContact O-N 2.94Å; I153-E155 VanDerWaalsContact C-N 3.3Å; I153-E155 PolarHBondContact O-N 3.42Å; E155-L158 PolarHBondContact O-N 3.04Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.23Å
156G91.2Very high87.6Confident0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-60.6-47.5176.700000113.2K152 I153 N154 A159 L160K152-G156 PolarHBondContact O-N 2.74Å; K152-G156 VanDerWaalsContact O-N 3.15Å; I153-G156 PolarHBondContact O-N 2.77Å; N154-G156 VanDerWaalsContact C-N 3.35Å; G156-A159 PolarHBondContact O-N 3.42Å; G156-L160 PolarHBondContact O-N 3.1Å
157L92.2Very high88.5Confident10 Ų1038.3 Ų38.35%0.05219%0.194CC..Hα-helixtrans-70.8-32177.1-68.7-178.1000113.3Y16 L131 G133 I153 L160 G161 L184Y16-L157 HydrophobicContact CD2-CD2 4.46Å; Y16-L157 HydrophobicContact CE2-CD2 4.11Å; L131-L157 HydrophobicContact CB-CD2 4.47Å; G133-L157 VanDerWaalsContact O-CD1 3.31Å; G133-L157 WeakPolarHBondContact O-CD1 2.73Å; I153-L157 PolarHBondContact O-N 3.12Å; I153-L157 VanDerWaalsContact O-N 3.13Å; L157-L160 HydrophobicContact CD2-CD2 4.38Å; L157-L160 WeakPolarHBondContact O-CB 3.12Å; L157-L160 PolarHBondContact O-N 3.07Å; L157-G161 PolarHBondContact O-N 3.28Å; L157-L184 HydrophobicContact CD2-CD2 4.4Å
158L93.2Very high89.1Confident108 Ų10835.3 Ų35.357%0.56518%0.182SC*.Hα-helixtrans-65.8-46.6173177.463.2000110.5N154 E155 L160 G161 N162N154-L158 WeakPolarHBondContact O-CA 3.35Å; N154-L158 WeakPolarHBondContact O-CB 3.38Å; N154-L158 PolarHBondContact O-N 3.25Å; E155-L158 PolarHBondContact O-N 3.04Å; L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.27Å; L158-G161 CarbonylContact O-C 3.51Å; L158-G161 WeakPolarHBondContact O-CA 3.28Å; L158-G161 PolarHBondContact O-N 3.3Å; L158-N162 VanDerWaalsContact O-CG 3.3Å; L158-N162 PolarHBondContact O-N 2.81Å; L158-N162 PolarHBondContact O-OD1 3.29Å
159A94.9Very high89.3Confident5 Ų535.4 Ų35.44%0.04118%0.184CC..Hα-helixtrans-57.7-43174.100000111.2E155 G156 G161 N162 V163 D181 S182 T185E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.23Å; G156-A159 PolarHBondContact O-N 3.42Å; A159-G161 VanDerWaalsContact C-N 3.31Å; A159-G161 PolarHBondContact O-N 2.89Å; A159-N162 WeakPolarHBondContact O-CB 3.48Å; A159-N162 PolarHBondContact O-N 3.02Å; A159-V163 WeakPolarHBondContact O-CG2 3.2Å; A159-V163 PolarHBondContact O-N 3.48Å; A159-D181 HydrophobicContact CB-CB 3.88Å; A159-S182 WeakPolarHBondContact CB-OG 3.35Å; A159-T185 HydrophobicContact CB-CG2 4.11Å
160L94.8Very high89.1Confident1 Ų136.9 Ų36.91%0.00520%0.197CC..Hα-helixtrans-58-44.7172.7-170.670.9000111.3L131 G156 L157 L158 N162 V163 I164 L184 T185 L188 L192 Y220L131-L160 HydrophobicContact CD1-CD2 3.86Å; G156-L160 PolarHBondContact O-N 3.1Å; L157-L160 HydrophobicContact CD2-CD2 4.38Å; L157-L160 WeakPolarHBondContact O-CB 3.12Å; L157-L160 PolarHBondContact O-N 3.07Å; L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.27Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 2.85Å; L160-V163 PolarHBondContact O-N 2.92Å; L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.27Å; L160-L184 HydrophobicContact CB-CD2 4.45Å; L160-L184 HydrophobicContact CD2-CD2 4.4Å; L160-T185 HydrophobicContact CB-CG2 4.12Å; L160-T185 HydrophobicContact CD1-CG2 4.11Å; L160-L188 HydrophobicContact CD1-CD1 4.48Å; L160-L192 HydrophobicContact CD1-CD1 3.34Å; L160-Y220 WeakPolarHBondContact CB-OH 3.42Å; L160-Y220 WeakPolarHBondContact CD2-OH 3.19Å; L160-Y220 WeakPolarHBondContact CG-OH 3.42Å
161G94.2Very high88.4Confident6 Ų643.2 Ų43.26%0.06224%0.235CC..Hα-helixtrans-62.3-36.3175.900000113.7L157 L158 A159 S165 Y220L157-G161 PolarHBondContact O-N 3.28Å; L158-G161 CarbonylContact O-C 3.51Å; L158-G161 WeakPolarHBondContact O-CA 3.28Å; L158-G161 PolarHBondContact O-N 3.3Å; A159-G161 VanDerWaalsContact C-N 3.31Å; A159-G161 PolarHBondContact O-N 2.89Å; G161-S165 WeakPolarHBondContact O-CB 3.41Å; G161-S165 PolarHBondContact O-N 2.79Å; G161-S165 PolarHBondContact O-OG 2.84Å; G161-Y220 WeakPolarHBondContact CA-OH 3.39Å; G161-Y220 PolarHBondContact N-OH 3.17Å
162N95Very high87.3Confident68 Ų6844 Ų4436%0.36426%0.261SS..Hα-helixtrans-68.9-42.6176.3-66.9-16.1000111.4L158 A159 L160 I164 S165 A166 P178L158-N162 VanDerWaalsContact O-CG 3.3Å; L158-N162 PolarHBondContact O-N 2.81Å; L158-N162 PolarHBondContact O-OD1 3.29Å; A159-N162 WeakPolarHBondContact O-CB 3.48Å; A159-N162 PolarHBondContact O-N 3.02Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 2.85Å; N162-I164 PolarHBondContact O-N 3.41Å; N162-S165 PolarHBondContact O-N 2.9Å; N162-A166 WeakPolarHBondContact O-CB 3.36Å; N162-A166 PolarHBondContact O-N 3.39Å; N162-P178 HydrophobicContact CB-CG 4.11Å
163V95.5Very high86.6Confident0 Ų043 Ų430%027%0.271CS..Hα-helixtrans-58.2-48.2173.6165.60000110.8A159 L160 S165 A166 L167 V177 P178 Y179 T185 L192A159-V163 WeakPolarHBondContact O-CG2 3.2Å; A159-V163 PolarHBondContact O-N 3.48Å; L160-V163 PolarHBondContact O-N 2.92Å; V163-S165 PolarHBondContact O-N 3.19Å; V163-A166 PolarHBondContact O-N 2.86Å; V163-L167 HydrophobicContact CG1-CD1 3.8Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 VanDerWaalsContact O-CG 3.26Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.45Å; V163-V177 HydrophobicContact CB-CG1 4.21Å; V163-V177 HydrophobicContact CG1-CG1 3.77Å; V163-V177 HydrophobicContact CG2-CG1 4.13Å; V163-P178 HydrophobicContact CG2-CG 4.16Å; V163-Y179 HydrophobicContact CG1-CD1 3.89Å; V163-Y179 HydrophobicContact CG1-CE1 3.51Å; V163-Y179 HydrophobicContact CG2-CD1 4.02Å; V163-Y179 HydrophobicContact CG2-CE1 4.45Å; V163-T185 HydrophobicContact CB-CG2 4.43Å; V163-T185 HydrophobicContact CG2-CG2 3.79Å; V163-L192 HydrophobicContact CG1-CB 4.15Å; V163-L192 HydrophobicContact CG1-CD1 4.08Å
164I93.9Very high86.2Confident0 Ų055 Ų550%032%0.315CS..Hα-helixtrans-60.8-46.3177.5-66.8179.6000110.8L160 N162 A166 L167 T168 Y220 R223 A224 I227L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.27Å; N162-I164 PolarHBondContact O-N 3.41Å; I164-A166 PolarHBondContact O-N 2.96Å; I164-L167 PolarHBondContact O-N 2.94Å; I164-T168 HydrophobicContact CG2-CG2 4.47Å; I164-T168 VanDerWaalsContact O-CG2 3.23Å; I164-T168 WeakPolarHBondContact O-CG2 3.37Å; I164-T168 PolarHBondContact O-N 3.23Å; I164-T168 VanDerWaalsContact O-N 3.14Å; I164-T168 PolarHBondContact O-OG1 3.37Å; I164-Y220 HydrophobicContact CD1-CD1 4.03Å; I164-Y220 HydrophobicContact CD1-CE1 3.19Å; I164-Y220 HydrophobicContact CD1-CE2 4.49Å; I164-Y220 VanDerWaalsContact CD1-CZ 3.48Å; I164-Y220 WeakPolarHBondContact CD1-OH 3.49Å; I164-R223 HydrophobicContact CG2-CB 3.84Å; I164-A224 HydrophobicContact CD1-CB 4.12Å; I164-I227 HydrophobicContact CB-CD1 4.16Å; I164-I227 HydrophobicContact CG1-CD1 3.8Å; I164-I227 HydrophobicContact CG2-CD1 4.04Å
165S92.9Very high86.1Confident19 Ų1956.3 Ų56.313%0.13333%0.325CS..Hα-helixtrans-61.7-48.4-179.2-53.40000110.8G161 N162 V163 L167 T168 E169 R223G161-S165 WeakPolarHBondContact O-CB 3.41Å; G161-S165 PolarHBondContact O-N 2.79Å; G161-S165 PolarHBondContact O-OG 2.84Å; N162-S165 PolarHBondContact O-N 2.9Å; V163-S165 PolarHBondContact O-N 3.19Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 3.35Å; S165-T168 PolarHBondContact O-N 3.44Å; S165-T168 PolarHBondContact O-OG1 2.97Å; S165-E169 WeakPolarHBondContact O-CB 3.16Å; S165-E169 WeakPolarHBondContact O-CG 3.47Å; S165-E169 PolarHBondContact O-N 2.97Å; S165-R223 PolarHBondContact OG-NH1 2.87Å
166A93.8Very high86.2Confident15 Ų1560 Ų6012%0.12434%0.342CS..Hα-helixtrans-58.4-38.8177.100000113.3N162 V163 I164 T168 V175N162-A166 WeakPolarHBondContact O-CB 3.36Å; N162-A166 PolarHBondContact O-N 3.39Å; V163-A166 PolarHBondContact O-N 2.86Å; I164-A166 PolarHBondContact O-N 2.96Å; A166-T168 VanDerWaalsContact C-N 3.3Å; A166-T168 PolarHBondContact O-N 3.24Å; A166-V175 HydrophobicContact CB-CG1 4.41Å
167L92.8Very high86.3Confident32 Ų3261.3 Ų61.317%0.16835%0.35CS..Hα-helixtrans-71.4-22.1177.3-73.9169.6000113.7V163 I164 S165 S170 V177 L192 I227V163-L167 HydrophobicContact CG1-CD1 3.8Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 VanDerWaalsContact O-CG 3.26Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.45Å; I164-L167 PolarHBondContact O-N 2.94Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 3.35Å; L167-S170 PolarHBondContact O-OG 3.29Å; L167-V177 HydrophobicContact CD2-CG1 4.32Å; L167-V177 HydrophobicContact CD2-CG2 3.78Å; L167-V177 HydrophobicContact CG-CG1 4.07Å; L167-V177 HydrophobicContact CG-CG2 4.2Å; L167-L192 HydrophobicContact CD1-CB 4.04Å; L167-I227 HydrophobicContact CB-CD1 4.47Å; L167-I227 HydrophobicContact CB-CG1 4.08Å; L167-I227 HydrophobicContact CD1-CD1 4.07Å; L167-I227 HydrophobicContact CD1-CG1 4.4Å; L167-I227 HydrophobicContact CD1-CG2 4.11Å
168T90.3Very high86.4Confident39 Ų3961.7 Ų61.724%0.23935%0.353CS..Hα-helixtrans-99.8-26.5-176.761.90000113.5I164 S165 A166 R223 K226 I227I164-T168 HydrophobicContact CG2-CG2 4.47Å; I164-T168 VanDerWaalsContact O-CG2 3.23Å; I164-T168 WeakPolarHBondContact O-CG2 3.37Å; I164-T168 PolarHBondContact O-N 3.23Å; I164-T168 VanDerWaalsContact O-N 3.14Å; I164-T168 PolarHBondContact O-OG1 3.37Å; S165-T168 PolarHBondContact O-N 3.44Å; S165-T168 PolarHBondContact O-OG1 2.97Å; A166-T168 VanDerWaalsContact C-N 3.3Å; A166-T168 PolarHBondContact O-N 3.24Å; T168-R223 VanDerWaalsContact CG2-O 3.3Å; T168-R223 WeakPolarHBondContact CG2-O 3.19Å; T168-K226 HydrophobicContact CG2-CB 3.73Å; T168-I227 HydrophobicContact CG2-CG1 3.88Å
169E84.8Confident86.5Confident143 Ų14357.9 Ų57.967%0.66833%0.331SS*.Hα-helixtrans-84.9-11.7178.2-69.9171.9-169.500112.7S165 T171S165-E169 WeakPolarHBondContact O-CB 3.16Å; S165-E169 WeakPolarHBondContact O-CG 3.47Å; S165-E169 PolarHBondContact O-N 2.97Å; E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.33Å
170S71.2Confident86.4Confident50 Ų5067.5 Ų67.535%0.3537%0.366SS..  trans-69.683.1-179.156.50000112.4L167 G172 V175L167-S170 PolarHBondContact O-OG 3.29Å; S170-G172 PolarHBondContact O-N 3.03Å; S170-V175 VanDerWaalsContact CB-CG2 3.47Å
171T63.7Low86.4Confident136 Ų13672.2 Ų72.283%0.83439%0.391SS*.SBendtrans-89.789.6168.552.60000110.1E169E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.33Å
172G61.8Low86.3Confident87 Ų8772.1 Ų72.190%0.89739%0.39SS*.SBendtrans90.912.9160.300000118S170S170-G172 PolarHBondContact O-N 3.03Å
173G67.4Low86.2Confident52 Ų5271.3 Ų71.354%0.53638%0.383SS..SBendtrans-139165.3176.300000114V175G173-V175 PolarHBondContact O-N 3.39Å
174R72.5Confident86.1Confident264 Ų26471.3 Ų71.3100%0.99638%0.383SS*.  trans-70.592.3167.7-73-174.7-177.4176.91.2108.6
175V81.9Confident86.1Confident70 Ų7071.3 Ų71.342%0.42438%0.383SS..PPolyproline II helixtrans-82.4131.9172.7178.60000108.8A166 S170 G173 V177A166-V175 HydrophobicContact CB-CG1 4.41Å; S170-V175 VanDerWaalsContact CB-CG2 3.47Å; G173-V175 PolarHBondContact O-N 3.39Å; V175-V177 PolarHBondContact O-N 3.47Å
176H91.1Very high86.1Confident155 Ų15575 Ų7572%0.71839%0.394SS*.PPolyproline II helixtrans-69.1117.7171.5173.1-88.5000109.1
177V93.7Very high86Confident27 Ų2775.6 Ų75.616%0.16440%0.395CS..PPolyproline II helixtrans-96.3123.4177.6-175.30000108.9V163 L167 V175 Y179V163-V177 HydrophobicContact CB-CG1 4.21Å; V163-V177 HydrophobicContact CG1-CG1 3.77Å; V163-V177 HydrophobicContact CG2-CG1 4.13Å; L167-V177 HydrophobicContact CD2-CG1 4.32Å; L167-V177 HydrophobicContact CD2-CG2 3.78Å; L167-V177 HydrophobicContact CG-CG1 4.07Å; L167-V177 HydrophobicContact CG-CG2 4.2Å; V175-V177 PolarHBondContact O-N 3.47Å; V177-Y179 HydrophobicContact CB-CD2 3.93Å; V177-Y179 HydrophobicContact CB-CE2 3.45Å; V177-Y179 VanDerWaalsContact CB-CE2 3.45Å; V177-Y179 HydrophobicContact CG1-CD1 4.3Å; V177-Y179 HydrophobicContact CG1-CD2 3.84Å; V177-Y179 HydrophobicContact CG1-CE1 3.88Å; V177-Y179 HydrophobicContact CG1-CE2 3.37Å; V177-Y179 HydrophobicContact CG1-CG 4.28Å; V177-Y179 HydrophobicContact CG2-CE2 4.34Å; V177-Y179 WeakPolarHBondContact O-CD2 3.37Å; V177-Y179 PolarHBondContact O-N 2.99Å
178P95.1Very high86Confident19 Ų1974.2 Ų74.212%0.12339%0.388CS..  trans-82.354.7-167.935-38.6000113.5N162 V163 R180 D181N162-P178 HydrophobicContact CB-CG 4.11Å; V163-P178 HydrophobicContact CG2-CG 4.16Å; P178-R180 PolarHBondContact O-N 3.26Å; P178-R180 VanDerWaalsContact O-N 3.1Å; P178-D181 WeakPolarHBondContact CB-OD2 3.43Å; P178-D181 PolarHBondContact O-N 3.1Å
179Y94.5Very high86.2Confident28 Ų2876.9 Ų76.911%0.1140%0.398CS..THydrogen-bonded Turntrans-63.3-17.6178.9-60.9-75.7000114V163 V177 D181 T185 R186 Q189 L192V163-Y179 HydrophobicContact CG1-CD1 3.89Å; V163-Y179 HydrophobicContact CG1-CE1 3.51Å; V163-Y179 HydrophobicContact CG2-CD1 4.02Å; V163-Y179 HydrophobicContact CG2-CE1 4.45Å; V177-Y179 HydrophobicContact CB-CD2 3.93Å; V177-Y179 HydrophobicContact CB-CE2 3.45Å; V177-Y179 VanDerWaalsContact CB-CE2 3.45Å; V177-Y179 HydrophobicContact CG1-CD1 4.3Å; V177-Y179 HydrophobicContact CG1-CD2 3.84Å; V177-Y179 HydrophobicContact CG1-CE1 3.88Å; V177-Y179 HydrophobicContact CG1-CE2 3.37Å; V177-Y179 HydrophobicContact CG1-CG 4.28Å; V177-Y179 HydrophobicContact CG2-CE2 4.34Å; V177-Y179 WeakPolarHBondContact O-CD2 3.37Å; V177-Y179 PolarHBondContact O-N 2.99Å; Y179-D181 VanDerWaalsContact C-N 3.33Å; Y179-T185 CarbonylContact O-C 3.44Å; Y179-T185 PolarHBondContact O-OG1 3.28Å; Y179-R186 WeakPolarHBondContact O-CG 3.46Å; Y179-R186 PolarHBondContact O-N 3.02Å; Y179-Q189 HydrophobicContact CD1-CB 3.8Å; Y179-Q189 HydrophobicContact CD1-CG 3.76Å; Y179-Q189 HydrophobicContact CD2-CG 3.73Å; Y179-Q189 HydrophobicContact CE1-CB 4.23Å; Y179-Q189 HydrophobicContact CE1-CG 3.99Å; Y179-Q189 HydrophobicContact CE2-CG 3.95Å; Y179-Q189 HydrophobicContact CG-CB 3.99Å; Y179-Q189 HydrophobicContact CG-CG 3.61Å; Y179-L192 HydrophobicContact CE1-CB 4.25Å; Y179-L192 WeakPolarHBondContact CE1-O 3.5Å; Y179-L192 PolarHBondContact OH-O 2.88Å
180R93.4Very high86.5Confident206 Ų20671.6 Ų71.678%0.77737%0.374SS*.THydrogen-bonded Turntrans-84.7-8.1-177.3-70.6-174.1173.4-178.5-2.5113.4P178 S182P178-R180 PolarHBondContact O-N 3.26Å; P178-R180 VanDerWaalsContact O-N 3.1Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 3.36Å
181D93.8Very high87.6Confident100 Ų10069.3 Ų69.354%0.53536%0.358SS..SBendtrans-69.3-23.3-175.6-72.312.6000112.7A159 P178 Y179A159-D181 HydrophobicContact CB-CB 3.88Å; P178-D181 WeakPolarHBondContact CB-OD2 3.43Å; P178-D181 PolarHBondContact O-N 3.1Å; Y179-D181 VanDerWaalsContact C-N 3.33Å
182S93.3Very high89Confident4 Ų463 Ų633%0.02832%0.319CS..  trans-145.1153.3173.170.90000112.8E54 A159 R180 L184 T185 R186E54-S182 WeakPolarHBondContact OE2-CA 3.32Å; A159-S182 WeakPolarHBondContact CB-OG 3.35Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 3.36Å; S182-L184 PolarHBondContact O-N 2.91Å; S182-T185 PolarHBondContact N-OG1 3.06Å; S182-T185 PolarHBondContact O-N 3Å; S182-T185 PolarHBondContact O-OG1 3.5Å; S182-T185 WeakPolarHBondContact OG-CG2 3.27Å; S182-T185 PolarHBondContact OG-N 3.06Å; S182-T185 VanDerWaalsContact OG-N 3.11Å; S182-T185 PolarHBondContact OG-OG1 2.74Å; S182-R186 WeakPolarHBondContact O-CG 3.14Å; S182-R186 PolarHBondContact O-N 3.19Å
183K92.6Very high90.4Very high52 Ų5260 Ų6023%0.22629%0.287CS..Hα-helixtrans-59-34.7172.8-72-159.9-173.5165.50112.6I51 E54 V56 I68 R186 L187I51-K183 HydrophobicContact CG2-CB 4.44Å; E54-K183 WeakPolarHBondContact O-CD 3.4Å; E54-K183 WeakPolarHBondContact O-CE 3.46Å; E54-K183 PolarHBondContact O-NZ 3.42Å; E54-K183 PolarHBondContact OE2-N 3.42Å; V56-K183 HydrophobicContact CG2-CB 4.35Å; V56-K183 HydrophobicContact CG2-CD 3.71Å; I68-K183 HydrophobicContact CD1-CB 3.52Å; I68-K183 HydrophobicContact CD1-CD 3.74Å; I68-K183 HydrophobicContact CD1-CG 3.62Å; I68-K183 HydrophobicContact CG1-CD 4.37Å; K183-R186 PolarHBondContact O-N 3.02Å; K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 3.05Å
184L93.5Very high91.6Very high0 Ų058.4 Ų58.40%027%0.271CS..Hα-helixtrans-59.1-51.9174.1176.466.2000111.9I51 H111 L131 L157 L160 S182 R186 L187 L188I51-L184 HydrophobicContact CD1-CB 3.98Å; I51-L184 HydrophobicContact CD1-CD1 3.89Å; H111-L184 HydrophobicContact CB-CD1 4.28Å; L131-L184 HydrophobicContact CD2-CD1 3.73Å; L131-L184 HydrophobicContact CD2-CD2 4.03Å; L131-L184 HydrophobicContact CD2-CG 4.48Å; L157-L184 HydrophobicContact CD2-CD2 4.4Å; L160-L184 HydrophobicContact CB-CD2 4.45Å; L160-L184 HydrophobicContact CD2-CD2 4.4Å; S182-L184 PolarHBondContact O-N 2.91Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.39Å; L184-L187 PolarHBondContact O-N 3.01Å; L184-L188 HydrophobicContact CD1-CD1 3.69Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 4.21Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 2.92Å
185T94.3Very high92.6Very high0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-69.3-28.3-178.649.70000112.8A159 L160 V163 Y179 S182 Q189A159-T185 HydrophobicContact CB-CG2 4.11Å; L160-T185 HydrophobicContact CB-CG2 4.12Å; L160-T185 HydrophobicContact CD1-CG2 4.11Å; V163-T185 HydrophobicContact CB-CG2 4.43Å; V163-T185 HydrophobicContact CG2-CG2 3.79Å; Y179-T185 CarbonylContact O-C 3.44Å; Y179-T185 PolarHBondContact O-OG1 3.28Å; S182-T185 PolarHBondContact N-OG1 3.06Å; S182-T185 PolarHBondContact O-N 3Å; S182-T185 PolarHBondContact O-OG1 3.5Å; S182-T185 WeakPolarHBondContact OG-CG2 3.27Å; S182-T185 PolarHBondContact OG-N 3.06Å; S182-T185 VanDerWaalsContact OG-N 3.11Å; S182-T185 PolarHBondContact OG-OG1 2.74Å; T185-Q189 WeakPolarHBondContact O-CA 3.39Å; T185-Q189 PolarHBondContact O-N 2.85Å
186R92.7Very high93.3Very high96 Ų9643.5 Ų43.536%0.36221%0.209SC..Hα-helixtrans-65.4-44.1170.1-69.5-177.962.1-162.1-6.9112.4I68 Y179 S182 K183 L184 L188 Q189I68-R186 PolarHBondContact O-NH2 3.42Å; Y179-R186 WeakPolarHBondContact O-CG 3.46Å; Y179-R186 PolarHBondContact O-N 3.02Å; S182-R186 WeakPolarHBondContact O-CG 3.14Å; S182-R186 PolarHBondContact O-N 3.19Å; K183-R186 PolarHBondContact O-N 3.02Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.39Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.05Å
187L92Very high93.5Very high28 Ų2838 Ų3815%0.14719%0.186CC..Hα-helixtrans-71.5-29.1-179.6-73.5167.5000112.7I51 V56 I68 I113 K183 L184I51-L187 HydrophobicContact CD1-CD1 3.62Å; I51-L187 HydrophobicContact CG1-CD1 4.12Å; V56-L187 HydrophobicContact CG2-CD1 4.21Å; I68-L187 HydrophobicContact CD1-CD1 3.98Å; I68-L187 HydrophobicContact CD1-CD2 4.29Å; I68-L187 HydrophobicContact CD1-CG 3.86Å; I68-L187 HydrophobicContact CG1-CD2 4.38Å; I68-L187 HydrophobicContact CG1-CG 4.46Å; I68-L187 HydrophobicContact CG2-CD2 4.37Å; I113-L187 HydrophobicContact CD1-CB 4.14Å; I113-L187 HydrophobicContact CD1-CD1 4.11Å; K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 3.05Å; L184-L187 PolarHBondContact O-N 3.01Å
188L93Very high93.7Very high2 Ų238.6 Ų38.61%0.0119%0.19CC..THydrogen-bonded Turntrans-99.412.5178.3-59-178.7000113.7I113 V129 L160 L184 R186 D190 S191 L192I113-L188 HydrophobicContact CD1-CD2 4.48Å; V129-L188 HydrophobicContact CG1-CD1 4.43Å; V129-L188 HydrophobicContact CG2-CD2 3.84Å; L160-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CD1 3.69Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 4.21Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 2.92Å; R186-L188 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.42Å; L188-S191 WeakPolarHBondContact O-CB 3.42Å; L188-S191 PolarHBondContact O-N 3.46Å; L188-L192 HydrophobicContact CB-CD1 4.23Å; L188-L192 PolarHBondContact O-N 2.81Å; L188-L192 VanDerWaalsContact O-N 3.12Å
189Q93.2Very high93.8Very high95 Ų9540.9 Ų40.944%0.44420%0.203SC..THydrogen-bonded Turntrans-58.9-35.7-175.5174173-10.900112.3Y179 T185 R186Y179-Q189 HydrophobicContact CD1-CB 3.8Å; Y179-Q189 HydrophobicContact CD1-CG 3.76Å; Y179-Q189 HydrophobicContact CD2-CG 3.73Å; Y179-Q189 HydrophobicContact CE1-CB 4.23Å; Y179-Q189 HydrophobicContact CE1-CG 3.99Å; Y179-Q189 HydrophobicContact CE2-CG 3.95Å; Y179-Q189 HydrophobicContact CG-CB 3.99Å; Y179-Q189 HydrophobicContact CG-CG 3.61Å; T185-Q189 WeakPolarHBondContact O-CA 3.39Å; T185-Q189 PolarHBondContact O-N 2.85Å; R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.05Å
190D91.3Very high93.9Very high33 Ų3341.6 Ų41.618%0.17621%0.208CC..THydrogen-bonded Turntrans-77.8-28.9177.168.4-51.1000112.9K125 L188 L192 G194 N195 S196K125-D190 WeakPolarHBondContact CE-OD2 3.34Å; K125-D190 IonicContact NZ-OD1 3.02Å; K125-D190 PolarHBondContact NZ-OD1 2.9Å; K125-D190 IonicContact NZ-OD2 2.74Å; K125-D190 PolarHBondContact NZ-OD2 3.4Å; L188-D190 PolarHBondContact O-N 3.42Å; D190-L192 VanDerWaalsContact C-N 3.34Å; D190-G194 CarbonylContact O-C 3.57Å; D190-G194 WeakPolarHBondContact O-CA 3.34Å; D190-G194 PolarHBondContact O-N 3.03Å; D190-N195 PolarHBondContact O-N 2.81Å; D190-S196 WeakPolarHBondContact O-CB 3.28Å
191S94.4Very high94.1Very high1 Ų134.4 Ų34.41%0.00719%0.185CC..THydrogen-bonded Turntrans-70.2-26.7175.7-48.60000113.4T12 L188 T198 N229T12-S191 WeakPolarHBondContact CB-OG 3.43Å; T12-S191 WeakPolarHBondContact CG2-OG 3.47Å; T12-S191 PolarHBondContact OG1-OG 2.73Å; L188-S191 WeakPolarHBondContact O-CB 3.42Å; L188-S191 PolarHBondContact O-N 3.46Å; S191-T198 WeakPolarHBondContact O-CB 3.31Å; S191-T198 WeakPolarHBondContact O-CG2 3.46Å; S191-T198 PolarHBondContact O-OG1 2.87Å; S191-N229 PolarHBondContact O-ND2 3.03Å
192L93.6Very high94.2Very high5 Ų531.4 Ų31.43%0.02617%0.174CC..THydrogen-bonded Turntrans-11698.8-174.1-62167.8000109.9F14 L160 V163 L167 Y179 L188 D190 G194 I227F14-L192 HydrophobicContact CE1-CD2 4.2Å; F14-L192 HydrophobicContact CZ-CD2 4.36Å; L160-L192 HydrophobicContact CD1-CD1 3.34Å; V163-L192 HydrophobicContact CG1-CB 4.15Å; V163-L192 HydrophobicContact CG1-CD1 4.08Å; L167-L192 HydrophobicContact CD1-CB 4.04Å; Y179-L192 HydrophobicContact CE1-CB 4.25Å; Y179-L192 WeakPolarHBondContact CE1-O 3.5Å; Y179-L192 PolarHBondContact OH-O 2.88Å; L188-L192 HydrophobicContact CB-CD1 4.23Å; L188-L192 PolarHBondContact O-N 2.81Å; L188-L192 VanDerWaalsContact O-N 3.12Å; D190-L192 VanDerWaalsContact C-N 3.34Å; L192-G194 VanDerWaalsContact C-N 3.27Å; L192-G194 PolarHBondContact O-N 2.93Å; L192-I227 HydrophobicContact CD2-CD1 4.34Å
193G91.4Very high94.4Very high22 Ų2231.6 Ų31.623%0.22718%0.175CC..THydrogen-bonded Turntrans794.5-177.800000114.8N229G193-N229 VanDerWaalsContact CA-OD1 3.31Å; G193-N229 WeakPolarHBondContact CA-OD1 3.36Å; G193-N229 PolarHBondContact N-OD1 3.16Å
194G92.1Very high94.6Very high19 Ų1931.9 Ų31.920%0.19618%0.181CC..SBendtrans-110-153.3-17600000114.8D190 L192 S196 K230D190-G194 CarbonylContact O-C 3.57Å; D190-G194 WeakPolarHBondContact O-CA 3.34Å; D190-G194 PolarHBondContact O-N 3.03Å; L192-G194 VanDerWaalsContact C-N 3.27Å; L192-G194 PolarHBondContact O-N 2.93Å; G194-S196 PolarHBondContact O-N 2.81Å; G194-K230 CarbonylContact O-C 3.55Å; G194-K230 PolarHBondContact O-N 2.81Å
195N94Very high94.7Very high21 Ų2132.9 Ų32.911%0.11219%0.188CC..SBendtrans-86.477.7177.7178.225.1000110.8N10 D190 P231 F232 N234N10-N195 WeakPolarHBondContact CB-O 3.42Å; N10-N195 PolarHBondContact ND2-ND2 2.93Å; N10-N195 PolarHBondContact ND2-O 2.89Å; D190-N195 PolarHBondContact O-N 2.81Å; N195-P231 WeakPolarHBondContact OD1-CA 3.45Å; N195-F232 HydrophobicContact CB-CD1 3.92Å; N195-F232 HydrophobicContact CB-CE1 3.48Å; N195-F232 VanDerWaalsContact CB-CE1 3.48Å; N195-F232 HydrophobicContact CB-CZ 4Å; N195-F232 VanDerWaalsContact CG-CD1 3.43Å; N195-F232 WeakPolarHBondContact ND2-CE1 3.48Å; N195-F232 VanDerWaalsContact ND2-CE2 3.25Å; N195-F232 WeakPolarHBondContact ND2-CE2 3.16Å; N195-F232 WeakPolarHBondContact ND2-CZ 3.08Å; N195-F232 WeakPolarHBondContact OD1-CD1 3.35Å; N195-F232 PolarHBondContact OD1-N 2.89Å; N195-F232 PolarHBondContact OD1-O 3.05Å; N195-N234 PolarHBondContact ND2-OD1 3.25Å
196S95.3Very high94.8Very high0 Ų039.2 Ų39.20%023%0.229CC..SBendtrans-159.5143.5173.8-169.10000111.8N10 T12 D190 G194 T198 N229N10-S196 CarbonylContact O-C 3.56Å; N10-S196 WeakPolarHBondContact O-CA 3.43Å; N10-S196 PolarHBondContact O-OG 2.99Å; T12-S196 PolarHBondContact OG1-OG 3.41Å; D190-S196 WeakPolarHBondContact O-CB 3.28Å; G194-S196 PolarHBondContact O-N 2.81Å; S196-T198 WeakPolarHBondContact CB-OG1 3.45Å; S196-T198 PolarHBondContact O-N 2.84Å; S196-T198 PolarHBondContact OG-OG1 2.98Å; S196-N229 VanDerWaalsContact O-CB 3.31Å; S196-N229 WeakPolarHBondContact O-CB 3.46Å; S196-N229 PolarHBondContact O-ND2 3.49Å
197V97Very high94.9Very high40 Ų4036.5 Ų36.524%0.24223%0.227CC..EExtended strand (participates in β ladder)trans-81.9107.3162.7179.30000107.2Y9 N10 C11 T12 P231Y9-V197 HydrophobicContact CG-CG2 4.38Å; N10-V197 PolarHBondContact O-N 3.1Å; C11-V197 CarbonylContact C-O 3.6Å; C11-V197 VanDerWaalsContact CA-O 3.29Å; C11-V197 WeakPolarHBondContact CA-O 3.37Å; T12-V197 PolarHBondContact N-O 3.44Å; V197-P231 HydrophobicContact CG2-CB 3.79Å; V197-P231 HydrophobicContact CG2-CG 4.14Å
198T97.1Very high95Very high39 Ų3942.4 Ų42.424%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-116.4132.8-169.1-55.20000112.1T12 F14 S191 S196 N229T12-T198 HydrophobicContact CG2-CG2 4.35Å; T12-T198 CarbonylContact O-C 3.15Å; T12-T198 VanDerWaalsContact O-CA 3.29Å; T12-T198 WeakPolarHBondContact O-CA 3.46Å; F14-T198 HydrophobicContact CD1-CG2 3.95Å; F14-T198 HydrophobicContact CE1-CG2 3.64Å; S191-T198 WeakPolarHBondContact O-CB 3.31Å; S191-T198 WeakPolarHBondContact O-CG2 3.46Å; S191-T198 PolarHBondContact O-OG1 2.87Å; S196-T198 WeakPolarHBondContact CB-OG1 3.45Å; S196-T198 PolarHBondContact O-N 2.84Å; S196-T198 PolarHBondContact OG-OG1 2.98Å; T198-N229 WeakPolarHBondContact CB-ND2 3.37Å; T198-N229 PolarHBondContact OG1-ND2 2.84Å
199V97Very high95Very high67 Ų6748.1 Ų48.141%0.40629%0.294SS..EExtended strand (participates in β ladder)trans-120.9128.1175.4172.10000108.7M1 T12 V13 F14 I201M1-V199 HydrophobicContact CE-CB 3.63Å; M1-V199 HydrophobicContact CE-CG2 3.33Å; T12-V199 PolarHBondContact O-N 3.41Å; V13-V199 WeakPolarHBondContact CA-O 3.2Å; F14-V199 PolarHBondContact N-O 3.29Å; V199-I201 HydrophobicContact CG1-CG1 4.27Å
200M96.5Very high95Very high43 Ų4345.5 Ų45.521%0.21228%0.283CS..EExtended strand (participates in β ladder)trans-98.8129.2168.6176.9178.1174.900108.8F14 Y16 A202 Y220 A221 A224F14-M200 HydrophobicContact CD2-CB 4.34Å; F14-M200 HydrophobicContact CD2-CG 4.03Å; F14-M200 HydrophobicContact CE1-CB 4.01Å; F14-M200 HydrophobicContact CE2-CB 3.68Å; F14-M200 HydrophobicContact CE2-CE 4.43Å; F14-M200 HydrophobicContact CE2-CG 3.35Å; F14-M200 HydrophobicContact CE2-SD 3.78Å; F14-M200 HydrophobicContact CZ-CB 3.49Å; F14-M200 VanDerWaalsContact CZ-CB 3.49Å; F14-M200 HydrophobicContact CZ-CG 3.68Å; F14-M200 HydrophobicContact CZ-SD 4.01Å; Y16-M200 HydrophobicContact CD1-CE 3.57Å; Y16-M200 HydrophobicContact CE1-CE 4.48Å; Y16-M200 HydrophobicContact CG-CE 3.81Å; M200-A202 HydrophobicContact CE-CB 4.38Å; M200-Y220 HydrophobicContact CE-CD1 3.74Å; M200-Y220 HydrophobicContact CE-CE1 4.42Å; M200-Y220 HydrophobicContact SD-CD1 4.4Å; M200-A221 HydrophobicContact CE-CB 3.9Å; M200-A221 HydrophobicContact SD-CB 4.16Å; M200-A224 HydrophobicContact SD-CB 3.54Å; M200-A224 VanDerWaalsContact SD-CB 3.54Å
201I97.4Very high95.2Very high56 Ų5649.7 Ų49.729%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-104.3113.6169.1-53.8176.8000108.2V13 F14 A15 Y16 T26 V199 C203V13-I201 HydrophobicContact CG1-CD1 3.59Å; V13-I201 HydrophobicContact CG1-CG1 4.01Å; F14-I201 PolarHBondContact O-N 3.34Å; A15-I201 WeakPolarHBondContact CA-O 3.46Å; Y16-I201 PolarHBondContact N-O 3.42Å; T26-I201 HydrophobicContact CG2-CD1 3.79Å; T26-I201 HydrophobicContact CG2-CG2 4.14Å; V199-I201 HydrophobicContact CG1-CG1 4.27Å; I201-C203 PolarHBondContact O-N 2.96Å
202A97.5Very high95.2Very high36 Ų3654.2 Ų54.230%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-89.3102.2177.700000110M200 T217 A221M200-A202 HydrophobicContact CE-CB 4.38Å; A202-T217 HydrophobicContact CB-CG2 4.1Å; A202-A221 HydrophobicContact CB-CB 3.92Å
203C96.9Very high95.2Very high8 Ų854.3 Ų54.35%0.05433%0.326CS..  trans-88.6120.2-179.5-60.50000109.8Y16 G17 S21 K23 I201Y16-C203 PolarHBondContact O-N 3.46Å; G17-C203 WeakPolarHBondContact CA-O 3.42Å; S21-C203 WeakPolarHBondContact CB-O 3.35Å; S21-C203 WeakPolarHBondContact O-CB 3.19Å; S21-C203 WeakPolarHBondContact OG-CB 3.45Å; S21-C203 PolarHBondContact OG-O 2.9Å; K23-C203 HydrophobicContact CG-CB 3.92Å; I201-C203 PolarHBondContact O-N 2.96Å
204V96.9Very high95.4Very high58 Ų5854.5 Ų54.535%0.35232%0.323SS..  trans-126.1154.3-174.4-61.80000111.6T214 T217 L218V204-T214 HydrophobicContact CB-CG2 3.92Å; V204-T214 HydrophobicContact CG1-CG2 4.11Å; V204-T217 HydrophobicContact CG1-CG2 3.81Å; V204-L218 HydrophobicContact CG1-CD2 4.24Å; V204-L218 HydrophobicContact CG1-CG 4.37Å
205S94.8Very high95.6Very high22 Ų2256.4 Ų56.415%0.15433%0.328CS..  trans-97.2137.4175.3-178.60000110.3A207 N210 T214S205-A207 VanDerWaalsContact C-N 3.26Å; S205-A207 PolarHBondContact O-N 2.81Å; S205-A207 PolarHBondContact OG-N 2.89Å; S205-N210 VanDerWaalsContact CB-ND2 3.34Å; S205-N210 WeakPolarHBondContact CB-ND2 3.46Å; S205-N210 PolarHBondContact OG-ND2 3.01Å; S205-T214 PolarHBondContact N-OG1 2.78Å; S205-T214 PolarHBondContact O-OG1 3.36Å
206P95.9Very high95.6Very high132 Ų13257.3 Ų57.386%0.85733%0.333SS*.  trans-79.3-6.4175.233.5-36.2000113.3
207A95Very high95.6Very high40 Ų4057.4 Ų57.433%0.33133%0.333SS..  trans-74.1134.2-177.400000111.8S205 T209 N210S205-A207 VanDerWaalsContact C-N 3.26Å; S205-A207 PolarHBondContact O-N 2.81Å; S205-A207 PolarHBondContact OG-N 2.89Å; A207-T209 PolarHBondContact O-N 2.98Å; A207-N210 WeakPolarHBondContact O-CB 3.34Å; A207-N210 PolarHBondContact O-N 3.25Å
208D94.9Very high95.6Very high152 Ų15259.8 Ų59.881%0.81335%0.345SS*.G310 helixtrans-57.7-33.2179.2-64.1-25.7000112.7N210 H211D208-N210 PolarHBondContact O-N 3.48Å; D208-N210 VanDerWaalsContact O-N 3.14Å; D208-H211 VanDerWaalsContact O-CB 3.27Å; D208-H211 WeakPolarHBondContact O-CB 2.93Å; D208-H211 PolarHBondContact O-N 3Å; D208-H211 VanDerWaalsContact O-N 3.08Å
209T93.7Very high95.5Very high122 Ų12264.5 Ų64.575%0.74836%0.358SS*.G310 helixtrans-62.1-19.7176.353.20000113.5A207A207-T209 PolarHBondContact O-N 2.98Å
210N93Very high95.4Very high39 Ų3961.8 Ų61.821%0.20934%0.341CS..G310 helixtrans-101.97.9179.2-72.2-35.9000113.3Q18 S205 A207 D208 D212 E213 T214Q18-N210 PolarHBondContact NE2-ND2 3.49Å; Q18-N210 PolarHBondContact NE2-OD1 3.27Å; Q18-N210 VanDerWaalsContact NE2-OD1 3.08Å; Q18-N210 PolarHBondContact OE1-OD1 3.01Å; S205-N210 VanDerWaalsContact CB-ND2 3.34Å; S205-N210 WeakPolarHBondContact CB-ND2 3.46Å; S205-N210 PolarHBondContact OG-ND2 3.01Å; A207-N210 WeakPolarHBondContact O-CB 3.34Å; A207-N210 PolarHBondContact O-N 3.25Å; D208-N210 PolarHBondContact O-N 3.48Å; D208-N210 VanDerWaalsContact O-N 3.14Å; N210-D212 VanDerWaalsContact C-N 3.31Å; N210-D212 PolarHBondContact O-N 3.26Å; N210-D212 VanDerWaalsContact O-N 3.16Å; N210-E213 PolarHBondContact O-N 3.11Å; N210-T214 PolarHBondContact O-N 3.23Å
211H94.7Very high95.4Very high121 Ų12160.9 Ų60.956%0.5634%0.34SS*.Hα-helixtrans-46.2-50-175.8178.979.9000113.6D208 E213 T214 L215D208-H211 VanDerWaalsContact O-CB 3.27Å; D208-H211 WeakPolarHBondContact O-CB 2.93Å; D208-H211 PolarHBondContact O-N 3Å; D208-H211 VanDerWaalsContact O-N 3.08Å; H211-E213 PolarHBondContact O-N 3.23Å; H211-T214 PolarHBondContact O-N 3.37Å; H211-L215 WeakPolarHBondContact O-CB 3.25Å; H211-L215 PolarHBondContact O-N 2.83Å
212D94Very high95.3Very high97 Ų9763.8 Ų63.852%0.51935%0.352SS..Hα-helixtrans-62.3-40.6-178.1-69-31.7000113.3N210 N216N210-D212 VanDerWaalsContact C-N 3.31Å; N210-D212 PolarHBondContact O-N 3.26Å; N210-D212 VanDerWaalsContact O-N 3.16Å; D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.18Å; D212-N216 PolarHBondContact O-ND2 2.96Å; D212-N216 VanDerWaalsContact O-ND2 3.1Å
213E93.6Very high95.1Very high6 Ų666.3 Ų66.33%0.02835%0.354CS..Hα-helixtrans-74.5-37.7-179.5-63.3-47.9146.900111.5Q18 E135 K139 N210 H211 L215 N216 T217Q18-E213 HydrophobicContact CB-CB 4.27Å; Q18-E213 HydrophobicContact CG-CB 4.46Å; E135-E213 HydrophobicContact CB-CG 4.44Å; K139-E213 WeakPolarHBondContact CD-OE1 3.44Å; K139-E213 WeakPolarHBondContact CE-OE1 3.49Å; K139-E213 IonicContact NZ-OE1 2.94Å; K139-E213 PolarHBondContact NZ-OE1 2.87Å; N210-E213 PolarHBondContact O-N 3.11Å; H211-E213 PolarHBondContact O-N 3.23Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-N216 PolarHBondContact O-N 3.15Å; E213-T217 WeakPolarHBondContact O-CB 3.15Å; E213-T217 PolarHBondContact O-N 3.3Å; E213-T217 PolarHBondContact O-OG1 3.03Å
214T96.1Very high95Very high26 Ų2666.5 Ų66.516%0.1636%0.356CS..Hα-helixtrans-59-47.6171.5-72.80000110V204 S205 N210 H211 N216 T217 L218V204-T214 HydrophobicContact CB-CG2 3.92Å; V204-T214 HydrophobicContact CG1-CG2 4.11Å; S205-T214 PolarHBondContact N-OG1 2.78Å; S205-T214 PolarHBondContact O-OG1 3.36Å; N210-T214 PolarHBondContact O-N 3.23Å; H211-T214 PolarHBondContact O-N 3.37Å; T214-N216 PolarHBondContact O-N 3.27Å; T214-T217 WeakPolarHBondContact O-CB 3.45Å; T214-T217 PolarHBondContact O-N 2.73Å; T214-L218 HydrophobicContact CG2-CD1 4.12Å; T214-L218 WeakPolarHBondContact O-CG 3.36Å; T214-L218 PolarHBondContact O-N 2.79Å
215L96.3Very high95Very high59 Ų5972.7 Ų72.731%0.30938%0.378SS..Hα-helixtrans-61.8-43.3176.8-178.960.6000112.4H211 E213 T217 L218 R219H211-L215 WeakPolarHBondContact O-CB 3.25Å; H211-L215 PolarHBondContact O-N 2.83Å; E213-L215 VanDerWaalsContact C-N 3.34Å; L215-T217 VanDerWaalsContact C-N 3.33Å; L215-T217 PolarHBondContact O-N 3.45Å; L215-L218 PolarHBondContact O-N 3.28Å; L215-R219 HydrophobicContact CD1-CG 4.41Å; L215-R219 WeakPolarHBondContact O-CG 3.3Å; L215-R219 PolarHBondContact O-N 3.13Å
216N94.3Very high94.9Very high41 Ų4177.6 Ų77.622%0.21940%0.397CS..Hα-helixtrans-60.2-43.8175.9-71.8-31.3000111.6D212 E213 T214 R219 Y220D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.18Å; D212-N216 PolarHBondContact O-ND2 2.96Å; D212-N216 VanDerWaalsContact O-ND2 3.1Å; E213-N216 PolarHBondContact O-N 3.15Å; T214-N216 PolarHBondContact O-N 3.27Å; N216-R219 PolarHBondContact O-N 2.92Å; N216-Y220 WeakPolarHBondContact O-CB 3.47Å; N216-Y220 PolarHBondContact O-N 3.31Å
217T95.8Very high94.8Very high1 Ų172.5 Ų72.51%0.00636%0.362CS..Hα-helixtrans-61.4-46178.3-59.70000111.3Y16 A202 V204 E213 T214 L215 Y220 A221Y16-T217 HydrophobicContact CD1-CG2 3.96Å; Y16-T217 HydrophobicContact CE1-CG2 4.2Å; A202-T217 HydrophobicContact CB-CG2 4.1Å; V204-T217 HydrophobicContact CG1-CG2 3.81Å; E213-T217 WeakPolarHBondContact O-CB 3.15Å; E213-T217 PolarHBondContact O-N 3.3Å; E213-T217 PolarHBondContact O-OG1 3.03Å; T214-T217 WeakPolarHBondContact O-CB 3.45Å; T214-T217 PolarHBondContact O-N 2.73Å; L215-T217 VanDerWaalsContact C-N 3.33Å; L215-T217 PolarHBondContact O-N 3.45Å; T217-Y220 WeakPolarHBondContact O-CB 3.46Å; T217-Y220 PolarHBondContact O-N 2.84Å; T217-A221 PolarHBondContact O-N 3.19Å
218L96.8Very high94.8Very high91 Ų9179.4 Ų79.448%0.47639%0.385SS..Hα-helixtrans-65.5-42.9178.6-66.8174.8000112.5V204 T214 L215 Y220 A221 E222V204-L218 HydrophobicContact CG1-CD2 4.24Å; V204-L218 HydrophobicContact CG1-CG 4.37Å; T214-L218 HydrophobicContact CG2-CD1 4.12Å; T214-L218 WeakPolarHBondContact O-CG 3.36Å; T214-L218 PolarHBondContact O-N 2.79Å; L215-L218 PolarHBondContact O-N 3.28Å; L218-Y220 VanDerWaalsContact C-N 3.26Å; L218-Y220 PolarHBondContact O-N 2.83Å; L218-A221 PolarHBondContact O-N 3.5Å; L218-E222 PolarHBondContact O-N 3.17Å
219R95.3Very high94.7Very high137 Ų13774 Ų7452%0.51736%0.356SS..Hα-helixtrans-62.1-34.5173.9-73.9176.7175.4175-0.5112.4L215 N216 R223L215-R219 HydrophobicContact CD1-CG 4.41Å; L215-R219 WeakPolarHBondContact O-CG 3.3Å; L215-R219 PolarHBondContact O-N 3.13Å; N216-R219 PolarHBondContact O-N 2.92Å; R219-R223 PolarHBondContact O-N 3.15Å
220Y94.2Very high94.8Very high11 Ų1176 Ų764%0.04336%0.355CS..Hα-helixtrans-66.2-47.4174.7-160.2-85.1000111.1Y16 L160 G161 I164 M200 N216 T217 L218 E222 R223 A224Y16-Y220 HydrophobicContact CD1-CD1 4.14Å; Y16-Y220 HydrophobicContact CD1-CG 4.5Å; Y16-Y220 HydrophobicContact CD2-CE1 4.34Å; Y16-Y220 AromaticContact CE1-CD1 3.88Å; Y16-Y220 HydrophobicContact CE1-CD1 3.88Å; Y16-Y220 HydrophobicContact CE1-CD2 4.39Å; Y16-Y220 HydrophobicContact CE1-CE1 4.45Å; Y16-Y220 AromaticContact CE1-CG 3.82Å; Y16-Y220 HydrophobicContact CE1-CG 3.82Å; Y16-Y220 HydrophobicContact CE2-CD1 4.33Å; Y16-Y220 HydrophobicContact CE2-CE1 4.09Å; Y16-Y220 HydrophobicContact CE2-CE2 4.5Å; Y16-Y220 AromaticContact CZ-CD1 3.97Å; Y16-Y220 AromaticContact CZ-CG 3.87Å; L160-Y220 WeakPolarHBondContact CB-OH 3.42Å; L160-Y220 WeakPolarHBondContact CD2-OH 3.19Å; L160-Y220 WeakPolarHBondContact CG-OH 3.42Å; G161-Y220 WeakPolarHBondContact CA-OH 3.39Å; G161-Y220 PolarHBondContact N-OH 3.17Å; I164-Y220 HydrophobicContact CD1-CD1 4.03Å; I164-Y220 HydrophobicContact CD1-CE1 3.19Å; I164-Y220 HydrophobicContact CD1-CE2 4.49Å; I164-Y220 VanDerWaalsContact CD1-CZ 3.48Å; I164-Y220 WeakPolarHBondContact CD1-OH 3.49Å; M200-Y220 HydrophobicContact CE-CD1 3.74Å; M200-Y220 HydrophobicContact CE-CE1 4.42Å; M200-Y220 HydrophobicContact SD-CD1 4.4Å; N216-Y220 WeakPolarHBondContact O-CB 3.47Å; N216-Y220 PolarHBondContact O-N 3.31Å; T217-Y220 WeakPolarHBondContact O-CB 3.46Å; T217-Y220 PolarHBondContact O-N 2.84Å; L218-Y220 VanDerWaalsContact C-N 3.26Å; L218-Y220 PolarHBondContact O-N 2.83Å; Y220-E222 VanDerWaalsContact C-N 3.34Å; Y220-E222 PolarHBondContact O-N 2.74Å; Y220-R223 PolarHBondContact O-N 3.45Å; Y220-A224 PolarHBondContact O-N 2.87Å
221A96Very high94.8Very high24 Ų2476.7 Ų76.720%0.19836%0.361CS..Hα-helixtrans-61.7-39.3176.400000112.7M200 A202 T217 L218 R223 A224 K225M200-A221 HydrophobicContact CE-CB 3.9Å; M200-A221 HydrophobicContact SD-CB 4.16Å; A202-A221 HydrophobicContact CB-CB 3.92Å; T217-A221 PolarHBondContact O-N 3.19Å; L218-A221 PolarHBondContact O-N 3.5Å; A221-R223 VanDerWaalsContact C-N 3.33Å; A221-R223 PolarHBondContact O-N 2.81Å; A221-A224 PolarHBondContact O-N 2.89Å; A221-K225 WeakPolarHBondContact O-CB 3.44Å; A221-K225 PolarHBondContact O-N 2.82Å
222E95.8Very high94.7Very high116 Ų11676.6 Ų76.654%0.54236%0.359SS..Hα-helixtrans-59.8-41.9175.4-171.5-166.9177.400112.1L218 Y220L218-E222 PolarHBondContact O-N 3.17Å; Y220-E222 VanDerWaalsContact C-N 3.34Å; Y220-E222 PolarHBondContact O-N 2.74Å
223R94.2Very high94.5Very high89 Ų8974.5 Ų74.534%0.33635%0.35SS..Hα-helixtrans-67.2-49.2174-70.7-176.2-69.6165.5-1.7111I164 S165 T168 R219 Y220 A221 K225 K226I164-R223 HydrophobicContact CG2-CB 3.84Å; S165-R223 PolarHBondContact OG-NH1 2.87Å; T168-R223 VanDerWaalsContact CG2-O 3.3Å; T168-R223 WeakPolarHBondContact CG2-O 3.19Å; R219-R223 PolarHBondContact O-N 3.15Å; Y220-R223 PolarHBondContact O-N 3.45Å; A221-R223 VanDerWaalsContact C-N 3.33Å; A221-R223 PolarHBondContact O-N 2.81Å; R223-K225 PolarHBondContact O-N 2.97Å; R223-K226 WeakPolarHBondContact O-CB 3.35Å; R223-K226 PolarHBondContact O-N 3.38Å
224A94.7Very high94.1Very high13 Ų1375.5 Ų75.511%0.10736%0.355CS..Hα-helixtrans-55.8-38179.700000112.6I164 M200 Y220 A221 K226 I227I164-A224 HydrophobicContact CD1-CB 4.12Å; M200-A224 HydrophobicContact SD-CB 3.54Å; M200-A224 VanDerWaalsContact SD-CB 3.54Å; Y220-A224 PolarHBondContact O-N 2.87Å; A221-A224 PolarHBondContact O-N 2.89Å; A224-K226 PolarHBondContact O-N 3.04Å; A224-K226 VanDerWaalsContact O-N 3.1Å; A224-I227 WeakPolarHBondContact O-CB 3.35Å; A224-I227 WeakPolarHBondContact O-CG1 3.38Å; A224-I227 PolarHBondContact O-N 3.42Å
225K95.3Very high93.3Very high187 Ų18777 Ų7781%0.81336%0.362SS*.THydrogen-bonded Turntrans-56.9-24.4176.1-177.4178.7177.5-179.10113.9A221 R223 I227A221-K225 WeakPolarHBondContact O-CB 3.44Å; A221-K225 PolarHBondContact O-N 2.82Å; R223-K225 PolarHBondContact O-N 2.97Å; K225-I227 VanDerWaalsContact C-N 3.34Å
226K94.6Very high92.2Very high125 Ų12577.6 Ų77.654%0.54337%0.365SS..THydrogen-bonded Turntrans-82.6-11.4-179.6-62174.8-173.2176.20113T168 R223 A224T168-K226 HydrophobicContact CG2-CB 3.73Å; R223-K226 WeakPolarHBondContact O-CB 3.35Å; R223-K226 PolarHBondContact O-N 3.38Å; A224-K226 PolarHBondContact O-N 3.04Å; A224-K226 VanDerWaalsContact O-N 3.1Å
227I93.8Very high91.2Very high26 Ų2680.5 Ų80.513%0.13339%0.386CS..  trans-67.7135.8177.8-61.2173.7000109.7I164 L167 T168 L192 A224 K225 N229I164-I227 HydrophobicContact CB-CD1 4.16Å; I164-I227 HydrophobicContact CG1-CD1 3.8Å; I164-I227 HydrophobicContact CG2-CD1 4.04Å; L167-I227 HydrophobicContact CB-CD1 4.47Å; L167-I227 HydrophobicContact CB-CG1 4.08Å; L167-I227 HydrophobicContact CD1-CD1 4.07Å; L167-I227 HydrophobicContact CD1-CG1 4.4Å; L167-I227 HydrophobicContact CD1-CG2 4.11Å; T168-I227 HydrophobicContact CG2-CG1 3.88Å; L192-I227 HydrophobicContact CD2-CD1 4.34Å; A224-I227 WeakPolarHBondContact O-CB 3.35Å; A224-I227 WeakPolarHBondContact O-CG1 3.38Å; A224-I227 PolarHBondContact O-N 3.42Å; K225-I227 VanDerWaalsContact C-N 3.34Å; I227-N229 WeakPolarHBondContact CG2-OD1 3.09Å
228K93.2Very high90.2Very high184 Ų18484.6 Ų84.680%0.841%0.412SS*.  trans-112.3105.4174.6-64.5-174-179.4-178.70110.1
229N94.3Very high89Confident40 Ų4081 Ų8121%0.21440%0.395CS..  trans-76165.2171.3-728.8000111.3S191 G193 S196 T198 I227 P231S191-N229 PolarHBondContact O-ND2 3.03Å; G193-N229 VanDerWaalsContact CA-OD1 3.31Å; G193-N229 WeakPolarHBondContact CA-OD1 3.36Å; G193-N229 PolarHBondContact N-OD1 3.16Å; S196-N229 VanDerWaalsContact O-CB 3.31Å; S196-N229 WeakPolarHBondContact O-CB 3.46Å; S196-N229 PolarHBondContact O-ND2 3.49Å; T198-N229 WeakPolarHBondContact CB-ND2 3.37Å; T198-N229 PolarHBondContact OG1-ND2 2.84Å; I227-N229 WeakPolarHBondContact CG2-OD1 3.09Å; N229-P231 VanDerWaalsContact C-CD 3.41Å; N229-P231 WeakPolarHBondContact O-CD 3.46Å
230K94.2Very high88Confident164 Ų16476.3 Ų76.371%0.71339%0.386SS*.  trans-125.765.1177.1-62.2178.2-174.2173.60110.2G194G194-K230 CarbonylContact O-C 3.55Å; G194-K230 PolarHBondContact O-N 2.81Å
231P94.6Very high87.3Confident53 Ų5381.6 Ų81.634%0.34441%0.411SS..  trans-65.7137.518029.2-35000111Y9 N195 V197 N229Y9-P231 HydrophobicContact CD1-CB 3.84Å; Y9-P231 HydrophobicContact CE1-CB 4.26Å; N195-P231 WeakPolarHBondContact OD1-CA 3.45Å; V197-P231 HydrophobicContact CG2-CB 3.79Å; V197-P231 HydrophobicContact CG2-CG 4.14Å; N229-P231 VanDerWaalsContact C-CD 3.41Å; N229-P231 WeakPolarHBondContact O-CD 3.46Å
232F90.9Very high86.6Confident119 Ų11984.6 Ų84.652%0.52242%0.423SS..  trans-136.8155.3170.760.3-98.1000110.2Y9 N195 N234Y9-F232 VanDerWaalsContact CD1-C 3.46Å; N195-F232 HydrophobicContact CB-CD1 3.92Å; N195-F232 HydrophobicContact CB-CE1 3.48Å; N195-F232 VanDerWaalsContact CB-CE1 3.48Å; N195-F232 HydrophobicContact CB-CZ 4Å; N195-F232 VanDerWaalsContact CG-CD1 3.43Å; N195-F232 WeakPolarHBondContact ND2-CE1 3.48Å; N195-F232 VanDerWaalsContact ND2-CE2 3.25Å; N195-F232 WeakPolarHBondContact ND2-CE2 3.16Å; N195-F232 WeakPolarHBondContact ND2-CZ 3.08Å; N195-F232 WeakPolarHBondContact OD1-CD1 3.35Å; N195-F232 PolarHBondContact OD1-N 2.89Å; N195-F232 PolarHBondContact OD1-O 3.05Å; F232-N234 PolarHBondContact O-N 3.16Å
233V90.5Very high85.8Confident53 Ų5382.9 Ų82.932%0.32142%0.417SS..BIsolated β-bridgetrans-68120176.7-179.80000108.7E7 Y9 L235E7-V233 WeakPolarHBondContact O-CG1 3.34Å; Y9-V233 HydrophobicContact CD1-CG2 4.46Å; Y9-V233 HydrophobicContact CD2-CG2 4.27Å; Y9-V233 HydrophobicContact CE1-CG2 3.94Å; Y9-V233 HydrophobicContact CE2-CG2 3.7Å; V233-L235 HydrophobicContact CG1-CD2 4.16Å; V233-L235 HydrophobicContact CG1-CG 4.13Å; V233-L235 PolarHBondContact O-N 3.14Å
234N86.4Confident85.3Confident26 Ų2684.8 Ų84.814%0.13943%0.428CS..  trans-71.4131.3175.8-59.2-81.9000108.4G8 N10 S122 T124 N195 F232G8-N234 PolarHBondContact O-N 2.69Å; G8-N234 PolarHBondContact O-ND2 3.41Å; G8-N234 VanDerWaalsContact O-ND2 3.1Å; N10-N234 PolarHBondContact N-ND2 2.94Å; N10-N234 PolarHBondContact ND2-ND2 3.25Å; N10-N234 PolarHBondContact ND2-OD1 2.91Å; N10-N234 PolarHBondContact OD1-ND2 3.08Å; N10-N234 VanDerWaalsContact OD1-ND2 3.07Å; S122-N234 WeakPolarHBondContact CB-O 3.49Å; S122-N234 PolarHBondContact OG-O 2.98Å; T124-N234 HydrophobicContact CG2-CB 4.1Å; N195-N234 PolarHBondContact ND2-OD1 3.25Å; F232-N234 PolarHBondContact O-N 3.16Å
235L78.6Confident85Confident59 Ų5988.1 Ų88.131%0.30944%0.444SS..  trans-138137.4178.8-66.8167.8000107.3I121 V233 A240 L243I121-L235 HydrophobicContact CG2-CD2 3.99Å; V233-L235 HydrophobicContact CG1-CD2 4.16Å; V233-L235 HydrophobicContact CG1-CG 4.13Å; V233-L235 PolarHBondContact O-N 3.14Å; L235-A240 HydrophobicContact CB-CB 3.89Å; L235-A240 HydrophobicContact CD1-CB 4.47Å; L235-L243 HydrophobicContact CD1-CD1 3.44Å; L235-L243 VanDerWaalsContact CD1-CD1 3.44Å; L235-L243 HydrophobicContact CD2-CD1 3.66Å; L235-L243 HydrophobicContact CG-CD1 4.18Å
236D73.7Confident84.7Confident70 Ų7086.6 Ų86.637%0.37443%0.433SS..  trans-59.9140.7169175.556.7000108.5I121 T238 A239 A240I121-D236 WeakPolarHBondContact O-CB 3.32Å; D236-T238 PolarHBondContact O-N 3.09Å; D236-T238 WeakPolarHBondContact OD2-CB 3.35Å; D236-T238 PolarHBondContact OD2-N 3.31Å; D236-T238 PolarHBondContact OD2-OG1 3.17Å; D236-A239 HydrophobicContact CB-CB 4.5Å; D236-A239 CarbonylContact O-C 3.57Å; D236-A239 WeakPolarHBondContact O-CA 3.28Å; D236-A239 PolarHBondContact O-N 3.48Å; D236-A240 PolarHBondContact O-N 3.23Å
237P71.8Confident84.3Confident102 Ų10283.5 Ų83.566%0.66243%0.427SS*.Hα-helixtrans-41.1-44.7177.2-24.812.8000114.5A239 A240 E241P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.69Å; P237-A240 PolarHBondContact O-N 3.14Å; P237-E241 VanDerWaalsContact O-CB 3.31Å; P237-E241 WeakPolarHBondContact O-CB 3.44Å; P237-E241 PolarHBondContact O-N 2.65Å
238T75.2Confident84.2Confident87 Ų8786.5 Ų86.553%0.53444%0.44SS..Hα-helixtrans-61.1-43.8179-400000111.5D236 E241 L242D236-T238 PolarHBondContact O-N 3.09Å; D236-T238 WeakPolarHBondContact OD2-CB 3.35Å; D236-T238 PolarHBondContact OD2-N 3.31Å; D236-T238 PolarHBondContact OD2-OG1 3.17Å; T238-E241 PolarHBondContact O-N 3.49Å; T238-L242 WeakPolarHBondContact O-CB 3.2Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 3.18Å
239A72.1Confident84.2Confident15 Ų1584 Ų8412%0.12443%0.431CS..Hα-helixtrans-80-31.6-178.700000113.4I121 D236 P237 E241 L242 L243I121-A239 HydrophobicContact CB-CB 4.41Å; I121-A239 HydrophobicContact CG2-CB 2.98Å; D236-A239 HydrophobicContact CB-CB 4.5Å; D236-A239 CarbonylContact O-C 3.57Å; D236-A239 WeakPolarHBondContact O-CA 3.28Å; D236-A239 PolarHBondContact O-N 3.48Å; P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.69Å; A239-E241 VanDerWaalsContact C-N 3.28Å; A239-L242 PolarHBondContact O-N 3.29Å; A239-L243 WeakPolarHBondContact O-CB 3.17Å; A239-L243 WeakPolarHBondContact O-CG 2.86Å; A239-L243 PolarHBondContact O-N 3.31Å
240A73.4Confident84.1Confident40 Ų4089.4 Ų89.433%0.33145%0.453SS..Hα-helixtrans-60.7-42.3168.600000110.1L235 D236 P237 K244L235-A240 HydrophobicContact CB-CB 3.89Å; L235-A240 HydrophobicContact CD1-CB 4.47Å; D236-A240 PolarHBondContact O-N 3.23Å; P237-A240 PolarHBondContact O-N 3.14Å; A240-K244 VanDerWaalsContact O-CB 3.26Å; A240-K244 WeakPolarHBondContact O-CB 3.43Å; A240-K244 PolarHBondContact O-N 3.45Å
241E79Confident84.1Confident121 Ų12185 Ų8557%0.56544%0.44SS*.Hα-helixtrans-65.3-47.5173.7-174.1165.4-154.800111.7P237 T238 A239 L243 K244 L245P237-E241 VanDerWaalsContact O-CB 3.31Å; P237-E241 WeakPolarHBondContact O-CB 3.44Å; P237-E241 PolarHBondContact O-N 2.65Å; T238-E241 PolarHBondContact O-N 3.49Å; A239-E241 VanDerWaalsContact C-N 3.28Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 3.03Å; E241-K244 WeakPolarHBondContact O-CB 3.31Å; E241-K244 PolarHBondContact O-N 3.02Å; E241-L245 HydrophobicContact CG-CD1 4.08Å; E241-L245 HydrophobicContact CG-CG 4.42Å; E241-L245 WeakPolarHBondContact O-CB 3.2Å; E241-L245 VanDerWaalsContact O-CG 3.29Å; E241-L245 WeakPolarHBondContact O-CG 3.14Å; E241-L245 PolarHBondContact O-N 2.97Å
242L82Confident84.1Confident87 Ų8788.5 Ų88.546%0.45545%0.452SS..Hα-helixtrans-58.2-42.7174.9-77.8166.6000112.7T238 A239 L245 R246T238-L242 WeakPolarHBondContact O-CB 3.2Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 3.18Å; A239-L242 PolarHBondContact O-N 3.29Å; L242-L245 PolarHBondContact O-N 2.79Å; L242-R246 WeakPolarHBondContact O-CB 3.45Å; L242-R246 VanDerWaalsContact O-CG 3.3Å; L242-R246 WeakPolarHBondContact O-CG 3.29Å; L242-R246 PolarHBondContact O-N 2.82Å
243L79.2Confident84.3Confident80 Ų8089.3 Ų89.342%0.41946%0.457SS..Hα-helixtrans-67-40.9176.5-80.1167.5000111.6L235 A239 E241 R246 S247L235-L243 HydrophobicContact CD1-CD1 3.44Å; L235-L243 VanDerWaalsContact CD1-CD1 3.44Å; L235-L243 HydrophobicContact CD2-CD1 3.66Å; L235-L243 HydrophobicContact CG-CD1 4.18Å; A239-L243 WeakPolarHBondContact O-CB 3.17Å; A239-L243 WeakPolarHBondContact O-CG 2.86Å; A239-L243 PolarHBondContact O-N 3.31Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 3.03Å; L243-R246 PolarHBondContact O-N 2.95Å; L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-N 2.88Å; L243-S247 PolarHBondContact O-OG 3.09Å
244K84.2Confident84.4Confident130 Ų13089.1 Ų89.157%0.56546%0.461SS*.Hα-helixtrans-60-47.8173.7-175.8-178.3177.9-174.20110.6A240 E241 S247 Q248A240-K244 VanDerWaalsContact O-CB 3.26Å; A240-K244 WeakPolarHBondContact O-CB 3.43Å; A240-K244 PolarHBondContact O-N 3.45Å; E241-K244 WeakPolarHBondContact O-CB 3.31Å; E241-K244 PolarHBondContact O-N 3.02Å; K244-S247 PolarHBondContact O-N 2.88Å; K244-S247 PolarHBondContact O-OG 3.49Å; K244-Q248 WeakPolarHBondContact O-CG 3.47Å; K244-Q248 PolarHBondContact O-N 3.06Å
245L88.1Confident84.8Confident83 Ų8396 Ų9644%0.43549%0.485SS..Hα-helixtrans-61.2-48.7177.4-70.8171.1000111.7E241 L242 S247 Q248 E249E241-L245 HydrophobicContact CG-CD1 4.08Å; E241-L245 HydrophobicContact CG-CG 4.42Å; E241-L245 WeakPolarHBondContact O-CB 3.2Å; E241-L245 VanDerWaalsContact O-CG 3.29Å; E241-L245 WeakPolarHBondContact O-CG 3.14Å; E241-L245 PolarHBondContact O-N 2.97Å; L242-L245 PolarHBondContact O-N 2.79Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.78Å; L245-Q248 WeakPolarHBondContact O-CB 3.38Å; L245-Q248 PolarHBondContact O-N 3.49Å; L245-Q248 VanDerWaalsContact O-N 3.07Å; L245-E249 PolarHBondContact O-N 3.32Å
246R88Confident85.7Confident155 Ų155102 Ų10259%0.58550%0.504SS*.Hα-helixtrans-59.8-37.7175.6-74.5176.5177.8179.90.7112.6L242 L243 Q248 K250L242-R246 WeakPolarHBondContact O-CB 3.45Å; L242-R246 VanDerWaalsContact O-CG 3.3Å; L242-R246 WeakPolarHBondContact O-CG 3.29Å; L242-R246 PolarHBondContact O-N 2.82Å; L243-R246 PolarHBondContact O-N 2.95Å; R246-Q248 VanDerWaalsContact C-N 3.35Å; R246-K250 WeakPolarHBondContact O-CG 3.41Å; R246-K250 PolarHBondContact O-N 3.15Å
247S87.8Confident86.7Confident59 Ų59107.4 Ų107.441%0.41352%0.519SS..Hα-helixtrans-67.3-36.8175.878.40000112L243 K244 L245 T251L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-N 2.88Å; L243-S247 PolarHBondContact O-OG 3.09Å; K244-S247 PolarHBondContact O-N 2.88Å; K244-S247 PolarHBondContact O-OG 3.49Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.78Å; S247-T251 WeakPolarHBondContact O-CB 3.26Å; S247-T251 PolarHBondContact O-N 2.75Å; S247-T251 PolarHBondContact O-OG1 3.08Å
248Q91.3Very high87.8Confident90 Ų90106.9 Ų106.942%0.42151%0.51SS..Hα-helixtrans-68.1-44174.9-72.5175.8-14.300111.3K244 L245 R246 T251 Q252K244-Q248 WeakPolarHBondContact O-CG 3.47Å; K244-Q248 PolarHBondContact O-N 3.06Å; L245-Q248 WeakPolarHBondContact O-CB 3.38Å; L245-Q248 PolarHBondContact O-N 3.49Å; L245-Q248 VanDerWaalsContact O-N 3.07Å; R246-Q248 VanDerWaalsContact C-N 3.35Å; Q248-T251 PolarHBondContact O-N 2.84Å; Q248-Q252 WeakPolarHBondContact O-CB 3.21Å; Q248-Q252 WeakPolarHBondContact O-CG 3.44Å; Q248-Q252 PolarHBondContact O-N 2.97Å
249E93.1Very high88.7Confident131 Ų131108 Ų10861%0.61251%0.512SS*.Hα-helixtrans-58.9-49.7174.5-75-175.5153.200111.8L245 T251 Q252 E253L245-E249 PolarHBondContact O-N 3.32Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 2.87Å; E249-Q252 PolarHBondContact O-N 3.03Å; E249-Q252 VanDerWaalsContact O-N 3.11Å; E249-E253 WeakPolarHBondContact O-CB 3.36Å; E249-E253 PolarHBondContact O-N 2.82Å
250K92.2Very high89.8Confident154 Ų154111.5 Ų111.567%0.6753%0.532SS*.Hα-helixtrans-57.5-41.5175.4-76.8-176.5177.4-176.30112.2R246 E253 A254R246-K250 WeakPolarHBondContact O-CG 3.41Å; R246-K250 PolarHBondContact O-N 3.15Å; K250-E253 PolarHBondContact O-N 2.78Å; K250-A254 WeakPolarHBondContact O-CB 2.99Å; K250-A254 PolarHBondContact O-N 2.82Å
251T94.1Very high90.8Very high71 Ų71113.9 Ų113.944%0.43654%0.538SS..Hα-helixtrans-66.2-40.8177.5-56.60000111.2S247 Q248 E249 R255S247-T251 WeakPolarHBondContact O-CB 3.26Å; S247-T251 PolarHBondContact O-N 2.75Å; S247-T251 PolarHBondContact O-OG1 3.08Å; Q248-T251 PolarHBondContact O-N 2.84Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 2.87Å; T251-R255 VanDerWaalsContact O-CG 3.3Å; T251-R255 WeakPolarHBondContact O-CG 3.39Å; T251-R255 PolarHBondContact O-N 3.28Å
252Q93.8Very high91.5Very high127 Ų127113 Ų11359%0.59353%0.534SS*.Hα-helixtrans-66.7-41.5176-75-1775.900111.9Q248 E249 R255 R256Q248-Q252 WeakPolarHBondContact O-CB 3.21Å; Q248-Q252 WeakPolarHBondContact O-CG 3.44Å; Q248-Q252 PolarHBondContact O-N 2.97Å; E249-Q252 PolarHBondContact O-N 3.03Å; E249-Q252 VanDerWaalsContact O-N 3.11Å; Q252-R255 PolarHBondContact O-N 2.94Å; Q252-R256 WeakPolarHBondContact O-CG 3.36Å; Q252-R256 PolarHBondContact O-N 3.08Å
253E94.7Very high92.1Very high135 Ų135111.1 Ų111.163%0.63153%0.531SS*.Hα-helixtrans-63.1-45.1175.9-171179.3-177.400111.2E249 K250 R255 R256 R257E249-E253 WeakPolarHBondContact O-CB 3.36Å; E249-E253 PolarHBondContact O-N 2.82Å; K250-E253 PolarHBondContact O-N 2.78Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 2.86Å; E253-R256 PolarHBondContact O-N 3.37Å; E253-R257 WeakPolarHBondContact O-CB 3.49Å; E253-R257 PolarHBondContact O-N 3.2Å
254A93.9Very high92.7Very high50 Ų50115.3 Ų115.341%0.41354%0.541SS..Hα-helixtrans-58.2-44.6173.800000111.6K250 R257 I258K250-A254 WeakPolarHBondContact O-CB 2.99Å; K250-A254 PolarHBondContact O-N 2.82Å; A254-R257 PolarHBondContact O-N 3.42Å; A254-I258 WeakPolarHBondContact O-CG1 3.06Å; A254-I258 PolarHBondContact O-N 2.6Å
255R95.4Very high93.2Very high169 Ų169112.1 Ų112.164%0.63853%0.534SS*.Hα-helixtrans-61.3-43.5175.1-75.2175.6-179.3-169.10.5112.5T251 Q252 E253 R257 I258 L259T251-R255 VanDerWaalsContact O-CG 3.3Å; T251-R255 WeakPolarHBondContact O-CG 3.39Å; T251-R255 PolarHBondContact O-N 3.28Å; Q252-R255 PolarHBondContact O-N 2.94Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 2.86Å; R255-R257 VanDerWaalsContact C-N 3.31Å; R255-R257 PolarHBondContact O-N 2.87Å; R255-I258 PolarHBondContact O-N 2.82Å; R255-L259 WeakPolarHBondContact O-CG 3.07Å; R255-L259 PolarHBondContact O-N 2.87Å
256R95.6Very high93.3Very high187 Ų187114.6 Ų114.671%0.70654%0.544SS*.Hα-helixtrans-62.3-38.7175.6-73.3-178.970.21422.4112Q252 E253 L259 T260Q252-R256 WeakPolarHBondContact O-CG 3.36Å; Q252-R256 PolarHBondContact O-N 3.08Å; E253-R256 PolarHBondContact O-N 3.37Å; R256-L259 PolarHBondContact O-N 3.45Å; R256-T260 PolarHBondContact O-N 3.14Å; R256-T260 PolarHBondContact O-OG1 3.47Å
257R95.8Very high93.5Very high182 Ų182114.1 Ų114.169%0.68755%0.546SS*.Hα-helixtrans-67.8-40177.6-169.4164.8-179.5163.4-2111.8E253 A254 R255 T260 L261E253-R257 WeakPolarHBondContact O-CB 3.49Å; E253-R257 PolarHBondContact O-N 3.2Å; A254-R257 PolarHBondContact O-N 3.42Å; R255-R257 VanDerWaalsContact C-N 3.31Å; R255-R257 PolarHBondContact O-N 2.87Å; R257-T260 PolarHBondContact O-N 2.98Å; R257-L261 HydrophobicContact CG-CD1 4.34Å; R257-L261 WeakPolarHBondContact O-CG 3.5Å; R257-L261 PolarHBondContact O-N 3.11Å
258I94.7Very high93.6Very high92 Ų92117 Ų11747%0.47255%0.554SS.*Hα-helixtrans-59.1-53172.8-70.7167.4000110.2A254 R255 T260 L261 E262A254-I258 WeakPolarHBondContact O-CG1 3.06Å; A254-I258 PolarHBondContact O-N 2.6Å; R255-I258 PolarHBondContact O-N 2.82Å; I258-T260 VanDerWaalsContact C-N 3.26Å; I258-T260 PolarHBondContact O-N 3.33Å; I258-L261 WeakPolarHBondContact O-CA 3.38Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.44Å; I258-E262 HydrophobicContact CG2-CG 4.25Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.9Å
259L94.8Very high93.6Very high111 Ų111117 Ų11758%0.58156%0.557SS**Hα-helixtrans-56-40.1177.8-72.9167.1000112.7R255 R256 E262 A263R255-L259 WeakPolarHBondContact O-CG 3.07Å; R255-L259 PolarHBondContact O-N 2.87Å; R256-L259 PolarHBondContact O-N 3.45Å; L259-E262 PolarHBondContact O-N 3.46Å; L259-A263 PolarHBondContact O-N 2.95Å
260T94.8Very high93.6Very high88 Ų88115 Ų11554%0.5455%0.554SS.*Hα-helixtrans-67.4-37.8177.6-53.90000112R256 R257 I258 R264R256-T260 PolarHBondContact O-N 3.14Å; R256-T260 PolarHBondContact O-OG1 3.47Å; R257-T260 PolarHBondContact O-N 2.98Å; I258-T260 VanDerWaalsContact C-N 3.26Å; I258-T260 PolarHBondContact O-N 3.33Å; T260-R264 WeakPolarHBondContact O-CG 3.42Å; T260-R264 PolarHBondContact O-N 3.38Å
261L94.2Very high93.5Very high89 Ų89115 Ų11547%0.46655%0.551SS.*Hα-helixtrans-70.5-40.9176.4-73170.2000111.4R257 I258 R264 C265R257-L261 HydrophobicContact CG-CD1 4.34Å; R257-L261 WeakPolarHBondContact O-CG 3.5Å; R257-L261 PolarHBondContact O-N 3.11Å; I258-L261 WeakPolarHBondContact O-CA 3.38Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.44Å; L261-R264 CarbonylContact O-C 3.57Å; L261-R264 WeakPolarHBondContact O-CB 3.34Å; L261-R264 PolarHBondContact O-N 2.74Å; L261-R264 VanDerWaalsContact O-N 3.09Å; L261-C265 PolarHBondContact O-N 2.94Å; L261-C265 PolarHBondContact O-SG 3.32Å; L261-C265 VanDerWaalsContact O-SG 3.38Å
262E94.6Very high93.4Very high104 Ų104118.7 Ų118.749%0.48656%0.561SS.*Hα-helixtrans-58.1-48.7174.8-72.7172.3162.600111I258 L259 R264 C265 E266I258-E262 HydrophobicContact CG2-CG 4.25Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.9Å; L259-E262 PolarHBondContact O-N 3.46Å; E262-R264 PolarHBondContact O-N 3.04Å; E262-C265 WeakPolarHBondContact O-CB 3.01Å; E262-C265 PolarHBondContact O-N 3.42Å; E262-E266 PolarHBondContact O-N 3.34Å
263A93.1Very high93.4Very high47 Ų47117 Ų11739%0.38856%0.556SS.*Hα-helixtrans-62.3-29.1175.600000113.4L259 K267L259-A263 PolarHBondContact O-N 2.95Å; A263-K267 WeakPolarHBondContact O-CG 3.19Å; A263-K267 PolarHBondContact O-N 2.91Å
264R93.4Very high93.3Very high168 Ų168117.5 Ų117.563%0.63455%0.552SS**Hα-helixtrans-74.2-39.4172.8-74.717873.7171.93.4111.5T260 L261 E262 K267 M268T260-R264 WeakPolarHBondContact O-CG 3.42Å; T260-R264 PolarHBondContact O-N 3.38Å; L261-R264 CarbonylContact O-C 3.57Å; L261-R264 WeakPolarHBondContact O-CB 3.34Å; L261-R264 PolarHBondContact O-N 2.74Å; L261-R264 VanDerWaalsContact O-N 3.09Å; E262-R264 PolarHBondContact O-N 3.04Å; R264-K267 PolarHBondContact O-N 2.9Å; R264-M268 WeakPolarHBondContact O-CG 3.27Å; R264-M268 PolarHBondContact O-N 2.88Å
265C92.9Very high93.2Very high62 Ų62123.3 Ų123.342%0.41956%0.564SS.*Hα-helixtrans-60.8-47.2174.7-71.40000111.1L261 E262 K267 M268 D269L261-C265 PolarHBondContact O-N 2.94Å; L261-C265 PolarHBondContact O-SG 3.32Å; L261-C265 VanDerWaalsContact O-SG 3.38Å; E262-C265 WeakPolarHBondContact O-CB 3.01Å; E262-C265 PolarHBondContact O-N 3.42Å; C265-K267 VanDerWaalsContact C-N 3.31Å; C265-K267 PolarHBondContact O-N 3.48Å; C265-M268 CarbonylContact O-C 3.56Å; C265-M268 WeakPolarHBondContact O-CA 3.32Å; C265-M268 WeakPolarHBondContact O-CB 3.29Å; C265-M268 PolarHBondContact O-N 2.8Å; C265-D269 PolarHBondContact O-N 2.79Å
266E91.7Very high93.1Very high136 Ų136120.9 Ų120.964%0.63656%0.563SS**Hα-helixtrans-57-43.2176.4-72.4178.9176.300112.3E262 M268 D269 V270E262-E266 PolarHBondContact O-N 3.34Å; E266-M268 PolarHBondContact O-N 2.77Å; E266-D269 PolarHBondContact O-N 3.41Å; E266-V270 WeakPolarHBondContact O-CG2 3.44Å; E266-V270 PolarHBondContact O-N 3.01Å; E266-V270 VanDerWaalsContact O-N 3.1Å
267K91.2Very high93Very high144 Ų144120.6 Ų120.663%0.62656%0.562SS**Hα-helixtrans-62.3-43.1174.3-74.1-178.6-178.3-178.10111.6A263 R264 C265 D269 V270 Y271A263-K267 WeakPolarHBondContact O-CG 3.19Å; A263-K267 PolarHBondContact O-N 2.91Å; R264-K267 PolarHBondContact O-N 2.9Å; C265-K267 VanDerWaalsContact C-N 3.31Å; C265-K267 PolarHBondContact O-N 3.48Å; K267-D269 VanDerWaalsContact C-N 3.32Å; K267-D269 PolarHBondContact O-N 3.31Å; K267-V270 PolarHBondContact O-N 3.19Å; K267-Y271 WeakPolarHBondContact O-CD2 3.47Å; K267-Y271 PolarHBondContact O-N 3.05Å
268M90.7Very high92.8Very high119 Ų119117.2 Ų117.259%0.58655%0.554SS**Hα-helixtrans-62.4-38.4176.8-72.5-161.6-52.700112.1R264 C265 E266 V270 Y271 K272R264-M268 WeakPolarHBondContact O-CG 3.27Å; R264-M268 PolarHBondContact O-N 2.88Å; C265-M268 CarbonylContact O-C 3.56Å; C265-M268 WeakPolarHBondContact O-CA 3.32Å; C265-M268 WeakPolarHBondContact O-CB 3.29Å; C265-M268 PolarHBondContact O-N 2.8Å; E266-M268 PolarHBondContact O-N 2.77Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.37Å; M268-Y271 PolarHBondContact O-N 3.28Å; M268-K272 WeakPolarHBondContact O-CB 3.49Å; M268-K272 PolarHBondContact O-N 2.95Å
269D91.8Very high92.7Very high90 Ų90115.8 Ų115.848%0.48155%0.552SS.*Hα-helixtrans-62.6-41.9175.5-71.6-33.4000111.2C265 E266 K267 Y271 K272 D273C265-D269 PolarHBondContact O-N 2.79Å; E266-D269 PolarHBondContact O-N 3.41Å; K267-D269 VanDerWaalsContact C-N 3.32Å; K267-D269 PolarHBondContact O-N 3.31Å; D269-Y271 PolarHBondContact O-N 3.22Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.28Å; D269-D273 WeakPolarHBondContact O-CB 3.47Å; D269-D273 PolarHBondContact O-N 3.49Å
270V91.4Very high92.7Very high89 Ų89115.3 Ų115.354%0.53955%0.547SS..Hα-helixtrans-62-40.9173.3174.90000112.1E266 K267 M268 R274E266-V270 WeakPolarHBondContact O-CG2 3.44Å; E266-V270 PolarHBondContact O-N 3.01Å; E266-V270 VanDerWaalsContact O-N 3.1Å; K267-V270 PolarHBondContact O-N 3.19Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.37Å; V270-R274 PolarHBondContact O-N 2.98Å
271Y90.1Very high92.6Very high156 Ų156118.2 Ų118.261%0.61255%0.552SS**Hα-helixtrans-66-41.5175.3-77.8-69.6000111.9K267 M268 D269 R274 Y275K267-Y271 WeakPolarHBondContact O-CD2 3.47Å; K267-Y271 PolarHBondContact O-N 3.05Å; M268-Y271 PolarHBondContact O-N 3.28Å; D269-Y271 PolarHBondContact O-N 3.22Å; Y271-R274 PolarHBondContact O-N 2.71Å; Y271-Y275 WeakPolarHBondContact O-CB 3.07Å; Y271-Y275 PolarHBondContact O-N 2.82Å
272K93Very high92.6Very high147 Ų147119.7 Ų119.764%0.63956%0.56SS**Hα-helixtrans-61.5-45.4177.3-173.8-178178.1-174.40110.9M268 D269 R274 Y275 L276M268-K272 WeakPolarHBondContact O-CB 3.49Å; M268-K272 PolarHBondContact O-N 2.95Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.28Å; K272-R274 PolarHBondContact O-N 2.83Å; K272-Y275 PolarHBondContact O-N 2.82Å; K272-L276 WeakPolarHBondContact O-CB 3.42Å; K272-L276 PolarHBondContact O-N 2.84Å
273D93.2Very high92.5Very high91 Ų91119.2 Ų119.249%0.48756%0.56SS.*Hα-helixtrans-62.1-42.4175.7-83.1-1.4000112.2D269 L276 R277D269-D273 WeakPolarHBondContact O-CB 3.47Å; D269-D273 PolarHBondContact O-N 3.49Å; D273-L276 PolarHBondContact O-N 3.28Å; D273-R277 WeakPolarHBondContact O-CG 3.3Å; D273-R277 PolarHBondContact O-N 3.08Å
274R93.1Very high92.5Very high147 Ų147121.1 Ų121.156%0.55556%0.564SS**Hα-helixtrans-63.5-44.1176.1-172.6-176.3-64.6-176.2-0.1111.4V270 Y271 K272 R277 Q278V270-R274 PolarHBondContact O-N 2.98Å; Y271-R274 PolarHBondContact O-N 2.71Å; K272-R274 PolarHBondContact O-N 2.83Å; R274-R277 PolarHBondContact O-N 2.95Å; R274-Q278 PolarHBondContact O-N 3.18Å
275Y91.8Very high92.5Very high171 Ų171117.2 Ų117.267%0.67156%0.559SS**Hα-helixtrans-61.9-44.7177.4-172.1-91.4000111Y271 K272 R277 Q278 S279Y271-Y275 WeakPolarHBondContact O-CB 3.07Å; Y271-Y275 PolarHBondContact O-N 2.82Å; K272-Y275 PolarHBondContact O-N 2.82Å; Y275-R277 PolarHBondContact O-N 3.26Å; Y275-Q278 PolarHBondContact O-N 3.13Å; Y275-S279 WeakPolarHBondContact O-CB 3.47Å; Y275-S279 PolarHBondContact O-N 3.14Å
276L92.9Very high92.5Very high118 Ų118117.9 Ų117.962%0.61856%0.561SS**Hα-helixtrans-61-43.2177.4-164.969.7000111.8K272 D273 Q278 S279 Q280K272-L276 WeakPolarHBondContact O-CB 3.42Å; K272-L276 PolarHBondContact O-N 2.84Å; D273-L276 PolarHBondContact O-N 3.28Å; L276-Q278 PolarHBondContact O-N 3.14Å; L276-S279 PolarHBondContact O-N 3.1Å; L276-Q280 PolarHBondContact O-N 3.47Å
277R93.2Very high92.5Very high182 Ų182114.4 Ų114.469%0.68755%0.551SS**Hα-helixtrans-63.1-40.2174.9-71.5-179.7-166.9-165.65.1112.9D273 R274 Y275 K281D273-R277 WeakPolarHBondContact O-CG 3.3Å; D273-R277 PolarHBondContact O-N 3.08Å; R274-R277 PolarHBondContact O-N 2.95Å; Y275-R277 PolarHBondContact O-N 3.26Å; R277-K281 WeakPolarHBondContact O-CG 3.37Å; R277-K281 PolarHBondContact O-N 3.36Å; R277-K281 VanDerWaalsContact O-N 3.14Å
278Q92.4Very high92.6Very high111 Ų111111 Ų11152%0.51955%0.546SS..Hα-helixtrans-67.1-43.7176.4-77-178-6.900111.5R274 Y275 L276 Q280 K281 L282R274-Q278 PolarHBondContact O-N 3.18Å; Y275-Q278 PolarHBondContact O-N 3.13Å; L276-Q278 PolarHBondContact O-N 3.14Å; Q278-Q280 VanDerWaalsContact C-N 3.32Å; Q278-Q280 PolarHBondContact O-N 3.2Å; Q278-K281 PolarHBondContact O-N 3.41Å; Q278-L282 PolarHBondContact O-N 2.93Å
279S93.3Very high92.7Very high61 Ų61109.6 Ų109.643%0.42754%0.54SS..Hα-helixtrans-57.4-44.5175.4-174.90000111.6Y275 L276 K281 L282 L283Y275-S279 WeakPolarHBondContact O-CB 3.47Å; Y275-S279 PolarHBondContact O-N 3.14Å; L276-S279 PolarHBondContact O-N 3.1Å; S279-K281 PolarHBondContact O-N 3.07Å; S279-L282 WeakPolarHBondContact O-CB 3.15Å; S279-L282 PolarHBondContact O-N 3.45Å; S279-L283 PolarHBondContact O-N 3.43Å
280Q93.7Very high92.8Very high101 Ų101108 Ų10847%0.47254%0.54SS..Hα-helixtrans-63.7-39.4176.2-168.764.141.800113L276 Q278 L283 N284L276-Q280 PolarHBondContact O-N 3.47Å; Q278-Q280 VanDerWaalsContact C-N 3.32Å; Q278-Q280 PolarHBondContact O-N 3.2Å; Q280-L283 PolarHBondContact O-N 3.15Å; Q280-N284 PolarHBondContact NE2-OD1 3.34Å; Q280-N284 VanDerWaalsContact O-CG 3.25Å; Q280-N284 PolarHBondContact O-N 2.93Å; Q280-N284 PolarHBondContact O-OD1 2.93Å
281K93.7Very high92.8Very high150 Ų150109.7 Ų109.765%0.65255%0.545SS*.Hα-helixtrans-63.2-44.9175.1-75.5179.9178.5-173.50111.7R277 Q278 S279 L283 N284 V285R277-K281 WeakPolarHBondContact O-CG 3.37Å; R277-K281 PolarHBondContact O-N 3.36Å; R277-K281 VanDerWaalsContact O-N 3.14Å; Q278-K281 PolarHBondContact O-N 3.41Å; S279-K281 PolarHBondContact O-N 3.07Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 3.28Å; K281-N284 PolarHBondContact O-N 3Å; K281-V285 WeakPolarHBondContact O-CG2 3.39Å; K281-V285 PolarHBondContact O-N 3.48Å
282L92.8Very high92.9Very high120 Ų120107.3 Ų107.363%0.62854%0.542SS*.Hα-helixtrans-58.9-44.4175.1-96137.3000111.3Q278 S279 N284 V285 T286Q278-L282 PolarHBondContact O-N 2.93Å; S279-L282 WeakPolarHBondContact O-CB 3.15Å; S279-L282 PolarHBondContact O-N 3.45Å; L282-N284 PolarHBondContact O-N 3.27Å; L282-V285 PolarHBondContact O-N 2.9Å; L282-T286 WeakPolarHBondContact O-CG2 3.48Å; L282-T286 PolarHBondContact O-N 3.15Å; L282-T286 PolarHBondContact O-OG1 3.34Å
283L93.1Very high92.9Very high93 Ų93104.7 Ų104.749%0.48754%0.535SS..Hα-helixtrans-60.2-43.7176.4-171.466.6000112.2S279 Q280 K281 V285 T286 S287S279-L283 PolarHBondContact O-N 3.43Å; Q280-L283 PolarHBondContact O-N 3.15Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 3.28Å; L283-V285 VanDerWaalsContact C-N 3.34Å; L283-V285 PolarHBondContact O-N 3.32Å; L283-T286 WeakPolarHBondContact CA-OG1 3.07Å; L283-T286 PolarHBondContact O-N 2.83Å; L283-T286 PolarHBondContact O-OG1 2.93Å; L283-S287 PolarHBondContact O-N 3.31Å; L283-S287 PolarHBondContact O-OG 2.98Å; L283-S287 VanDerWaalsContact O-OG 3.08Å
284N93.2Very high92.8Very high88 Ų88106 Ų10647%0.47154%0.537SS..Hα-helixtrans-64.8-38.2177.6-67.2-7.4000112.2Q280 K281 L282 S288Q280-N284 PolarHBondContact NE2-OD1 3.34Å; Q280-N284 VanDerWaalsContact O-CG 3.25Å; Q280-N284 PolarHBondContact O-N 2.93Å; Q280-N284 PolarHBondContact O-OD1 2.93Å; K281-N284 PolarHBondContact O-N 3Å; L282-N284 PolarHBondContact O-N 3.27Å; N284-S288 WeakPolarHBondContact O-CB 3.08Å; N284-S288 PolarHBondContact O-N 3.44Å; N284-S288 PolarHBondContact O-OG 2.76Å
285V93Very high92.8Very high86 Ų86105 Ų10552%0.52154%0.536SS..Hα-helixtrans-67.1-44.6176171.90000111K281 L282 L283 S287 S288 L289K281-V285 WeakPolarHBondContact O-CG2 3.39Å; K281-V285 PolarHBondContact O-N 3.48Å; L282-V285 PolarHBondContact O-N 2.9Å; L283-V285 VanDerWaalsContact C-N 3.34Å; L283-V285 PolarHBondContact O-N 3.32Å; V285-S287 PolarHBondContact O-N 3.21Å; V285-S288 PolarHBondContact O-N 3.39Å; V285-L289 HydrophobicContact CG1-CD1 3.94Å; V285-L289 HydrophobicContact CG1-CG 4.44Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 2.69Å
286T93.1Very high92.6Very high75 Ų75101.6 Ų101.646%0.4653%0.526SS..Hα-helixtrans-64.6-39.2178.252.30000111.9L282 L283 L289 A290L282-T286 WeakPolarHBondContact O-CG2 3.48Å; L282-T286 PolarHBondContact O-N 3.15Å; L282-T286 PolarHBondContact O-OG1 3.34Å; L283-T286 WeakPolarHBondContact CA-OG1 3.07Å; L283-T286 PolarHBondContact O-N 2.83Å; L283-T286 PolarHBondContact O-OG1 2.93Å; T286-L289 PolarHBondContact O-N 2.76Å; T286-A290 WeakPolarHBondContact O-CB 3.27Å; T286-A290 PolarHBondContact O-N 3.32Å
287S93Very high92.4Very high63 Ų63103.9 Ų103.944%0.44153%0.527SS..Hα-helixtrans-61.8-41.9172.1-62.10000112.5L283 V285 A290 L291L283-S287 PolarHBondContact O-N 3.31Å; L283-S287 PolarHBondContact O-OG 2.98Å; L283-S287 VanDerWaalsContact O-OG 3.08Å; V285-S287 PolarHBondContact O-N 3.21Å; S287-A290 PolarHBondContact O-N 3.13Å; S287-L291 PolarHBondContact O-N 3.05Å; S287-L291 VanDerWaalsContact O-N 3.08Å
288S93.1Very high92.3Very high73 Ų7399 Ų9951%0.5151%0.514SS..Hα-helixtrans-66.3-42.2178.2-57.10000112.1N284 V285 A290 L291 L292N284-S288 WeakPolarHBondContact O-CB 3.08Å; N284-S288 PolarHBondContact O-N 3.44Å; N284-S288 PolarHBondContact O-OG 2.76Å; V285-S288 PolarHBondContact O-N 3.39Å; S288-A290 VanDerWaalsContact C-N 3.34Å; S288-L291 PolarHBondContact O-N 3.33Å; S288-L292 PolarHBondContact O-N 3.37Å
289L92.9Very high92.1Very high89 Ų8998.1 Ų98.147%0.46651%0.511SS..Hα-helixtrans-63.5-39174.3-75.4168.1000111.9V285 T286 L291 L292 N293V285-L289 HydrophobicContact CG1-CD1 3.94Å; V285-L289 HydrophobicContact CG1-CG 4.44Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 2.69Å; T286-L289 PolarHBondContact O-N 2.76Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L289-L292 PolarHBondContact O-N 2.98Å; L289-N293 WeakPolarHBondContact O-CB 3.12Å; L289-N293 VanDerWaalsContact O-CG 3.26Å; L289-N293 PolarHBondContact O-N 3.11Å; L289-N293 PolarHBondContact O-ND2 3.02Å
290A92.7Very high91.7Very high57 Ų57100 Ų10047%0.47152%0.516SS..Hα-helixtrans-62.9-40.9175.800000112.1T286 S287 S288 K294T286-A290 WeakPolarHBondContact O-CB 3.27Å; T286-A290 PolarHBondContact O-N 3.32Å; S287-A290 PolarHBondContact O-N 3.13Å; S288-A290 VanDerWaalsContact C-N 3.34Å; A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 2.8Å
291L92.4Very high91.3Very high124 Ų124100 Ų10065%0.64952%0.516SS*.Hα-helixtrans-65-45.3173.9-76.7166.6000112.1S287 S288 L289 N293 K294 F295S287-L291 PolarHBondContact O-N 3.05Å; S287-L291 VanDerWaalsContact O-N 3.08Å; S288-L291 PolarHBondContact O-N 3.33Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L291-N293 PolarHBondContact O-N 3.36Å; L291-K294 WeakPolarHBondContact O-CB 3.35Å; L291-K294 PolarHBondContact O-N 3.07Å; L291-F295 PolarHBondContact O-N 3.36Å
292L91.9Very high90.8Very high107 Ų10797.2 Ų97.256%0.5651%0.508SS*.Hα-helixtrans-62-43.4177.4-174.568.2000111.5S288 L289 K294 F295 H296S288-L292 PolarHBondContact O-N 3.37Å; L289-L292 PolarHBondContact O-N 2.98Å; L292-K294 VanDerWaalsContact C-N 3.29Å; L292-K294 PolarHBondContact O-N 3.06Å; L292-F295 PolarHBondContact O-N 3.05Å; L292-H296 WeakPolarHBondContact O-CB 3Å; L292-H296 PolarHBondContact O-N 2.91Å
293N91.6Very high90.1Very high91 Ų9194.9 Ų94.949%0.48750%0.501SS..Hα-helixtrans-63.5-34.8175.6-76.6-25.6000112.2L289 L291 R297L289-N293 WeakPolarHBondContact O-CB 3.12Å; L289-N293 VanDerWaalsContact O-CG 3.26Å; L289-N293 PolarHBondContact O-N 3.11Å; L289-N293 PolarHBondContact O-ND2 3.02Å; L291-N293 PolarHBondContact O-N 3.36Å; N293-R297 WeakPolarHBondContact O-CG 3.49Å; N293-R297 PolarHBondContact O-N 3.43Å; N293-R297 VanDerWaalsContact O-N 3.13Å
294K92.7Very high89.4Confident119 Ų11993.1 Ų93.152%0.51750%0.496SS..Hα-helixtrans-65.8-51.8172.6-174.3-175.9174.7-173.70110.8A290 L291 L292 H296 R297 D298A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 2.8Å; L291-K294 WeakPolarHBondContact O-CB 3.35Å; L291-K294 PolarHBondContact O-N 3.07Å; L292-K294 VanDerWaalsContact C-N 3.29Å; L292-K294 PolarHBondContact O-N 3.06Å; K294-H296 VanDerWaalsContact C-N 3.29Å; K294-H296 PolarHBondContact O-N 3.01Å; K294-R297 WeakPolarHBondContact O-CB 3.5Å; K294-R297 PolarHBondContact O-N 2.82Å; K294-R297 VanDerWaalsContact O-N 3.1Å; K294-D298 VanDerWaalsContact O-CG 3.28Å; K294-D298 PolarHBondContact O-N 2.84Å
295F91.6Very high88.6Confident125 Ų12594 Ų9455%0.54850%0.496SS..Hα-helixtrans-57.2-41.9177.7-178.5-98000112.4L291 L292 D298 M299L291-F295 PolarHBondContact O-N 3.36Å; L292-F295 PolarHBondContact O-N 3.05Å; F295-D298 PolarHBondContact O-N 3.43Å; F295-M299 HydrophobicContact CD1-CG 4.35Å; F295-M299 HydrophobicContact CE1-CE 4.45Å; F295-M299 HydrophobicContact CE1-CG 3.83Å; F295-M299 HydrophobicContact CE1-SD 3.78Å; F295-M299 HydrophobicContact CZ-CG 3.94Å; F295-M299 HydrophobicContact CZ-SD 4.01Å; F295-M299 PolarHBondContact O-N 3.39Å
296H89.2Confident87.6Confident100 Ų10095.2 Ų95.246%0.46350%0.496SS..Hα-helixtrans-63.6-41.2176.7-169.868.3000112.2L292 K294 L300L292-H296 WeakPolarHBondContact O-CB 3Å; L292-H296 PolarHBondContact O-N 2.91Å; K294-H296 VanDerWaalsContact C-N 3.29Å; K294-H296 PolarHBondContact O-N 3.01Å; H296-L300 WeakPolarHBondContact O-CG 3.32Å; H296-L300 PolarHBondContact O-N 2.65Å
297R88.8Confident86.5Confident167 Ų16795.7 Ų95.763%0.6350%0.499SS*.Hα-helixtrans-63.1-42.6173.4-80.2-170.4-71.7-128.9-0.2112.3N293 K294 L300 H301N293-R297 WeakPolarHBondContact O-CG 3.49Å; N293-R297 PolarHBondContact O-N 3.43Å; N293-R297 VanDerWaalsContact O-N 3.13Å; K294-R297 WeakPolarHBondContact O-CB 3.5Å; K294-R297 PolarHBondContact O-N 2.82Å; K294-R297 VanDerWaalsContact O-N 3.1Å; R297-L300 PolarHBondContact O-N 2.9Å; R297-H301 WeakPolarHBondContact O-CB 3.3Å; R297-H301 PolarHBondContact O-N 3.23Å
298D90.7Very high85.1Confident79 Ų7998.5 Ų98.542%0.42251%0.508SS..Hα-helixtrans-64.1-45.3179.3-63.4-17.3000110.5K294 F295 L300 H301 D302K294-D298 VanDerWaalsContact O-CG 3.28Å; K294-D298 PolarHBondContact O-N 2.84Å; F295-D298 PolarHBondContact O-N 3.43Å; D298-L300 PolarHBondContact O-N 3.29Å; D298-H301 WeakPolarHBondContact O-CB 3.43Å; D298-H301 PolarHBondContact O-N 3.49Å; D298-D302 PolarHBondContact O-N 2.93Å
299M87.5Confident84.1Confident92 Ų92102.5 Ų102.545%0.45352%0.519SS..Hα-helixtrans-61.6-43.5174.4-77.5-147.5-39.200113.5F295 H301 D302 C303F295-M299 HydrophobicContact CD1-CG 4.35Å; F295-M299 HydrophobicContact CE1-CE 4.45Å; F295-M299 HydrophobicContact CE1-CG 3.83Å; F295-M299 HydrophobicContact CE1-SD 3.78Å; F295-M299 HydrophobicContact CZ-CG 3.94Å; F295-M299 HydrophobicContact CZ-SD 4.01Å; F295-M299 PolarHBondContact O-N 3.39Å; M299-H301 VanDerWaalsContact C-N 3.26Å; M299-H301 PolarHBondContact O-N 2.82Å; M299-D302 PolarHBondContact O-N 3.15Å; M299-C303 WeakPolarHBondContact O-CB 3.33Å; M299-C303 PolarHBondContact O-N 2.8Å; M299-C303 PolarHBondContact O-SG 3.41Å
300L85.3Confident83Confident101 Ų101106.4 Ų106.453%0.52953%0.532SS..Hα-helixtrans-61.8-38.9178-75.6172.7000111.1H296 R297 D298 S304H296-L300 WeakPolarHBondContact O-CG 3.32Å; H296-L300 PolarHBondContact O-N 2.65Å; R297-L300 PolarHBondContact O-N 2.9Å; D298-L300 PolarHBondContact O-N 3.29Å; L300-S304 WeakPolarHBondContact O-CB 2.85Å; L300-S304 PolarHBondContact O-N 3.35Å; L300-S304 PolarHBondContact O-OG 3.41Å
301H84.5Confident81.3Confident100 Ų100112.6 Ų112.646%0.46356%0.557SS.*Hα-helixtrans-65-43.9175179.3-89.2000111.7R297 D298 M299 S304 K305R297-H301 WeakPolarHBondContact O-CB 3.3Å; R297-H301 PolarHBondContact O-N 3.23Å; D298-H301 WeakPolarHBondContact O-CB 3.43Å; D298-H301 PolarHBondContact O-N 3.49Å; M299-H301 VanDerWaalsContact C-N 3.26Å; M299-H301 PolarHBondContact O-N 2.82Å; H301-S304 PolarHBondContact O-N 3.34Å; H301-S304 PolarHBondContact O-OG 3.41Å; H301-K305 VanDerWaalsContact CE1-CE 3.42Å; H301-K305 WeakPolarHBondContact CE1-CE 3.49Å; H301-K305 PolarHBondContact O-N 2.84Å
302D84.2Confident80.8Confident92 Ų92112.1 Ų112.149%0.49255%0.552SS.*Hα-helixtrans-67.1-43.6178.4-69.7-14.4000112.5D298 M299 S304 K305 E306D298-D302 PolarHBondContact O-N 2.93Å; M299-D302 PolarHBondContact O-N 3.15Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 2.9Å; D302-K305 PolarHBondContact O-N 3.04Å; D302-E306 PolarHBondContact O-N 2.97Å
303C78.3Confident80.2Confident72 Ų72112.3 Ų112.349%0.48655%0.552SS.*Hα-helixtrans-60.3-37.4172.5-73.30000112.2M299 T307M299-C303 WeakPolarHBondContact O-CB 3.33Å; M299-C303 PolarHBondContact O-N 2.8Å; M299-C303 PolarHBondContact O-SG 3.41Å; C303-T307 WeakPolarHBondContact O-CB 3.43Å; C303-T307 PolarHBondContact O-N 3.05Å; C303-T307 PolarHBondContact O-OG1 3.22Å
304S77.6Confident79.6Confident55 Ų55113.5 Ų113.539%0.38556%0.555SS.*Hα-helixtrans-66.5-37.7176.6770000112.3L300 H301 D302 L308L300-S304 WeakPolarHBondContact O-CB 2.85Å; L300-S304 PolarHBondContact O-N 3.35Å; L300-S304 PolarHBondContact O-OG 3.41Å; H301-S304 PolarHBondContact O-N 3.34Å; H301-S304 PolarHBondContact O-OG 3.41Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 2.9Å; S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 VanDerWaalsContact O-CG 3.3Å; S304-L308 WeakPolarHBondContact O-CG 3.36Å; S304-L308 PolarHBondContact O-N 3.06Å
305K75.9Confident78.8Confident108 Ų108113.2 Ų113.247%0.4756%0.557SS.*Hα-helixtrans-66-48.7173.8-84.8-174.4168.7-176.20112.2H301 D302 T307 L308 E309H301-K305 VanDerWaalsContact CE1-CE 3.42Å; H301-K305 WeakPolarHBondContact CE1-CE 3.49Å; H301-K305 PolarHBondContact O-N 2.84Å; D302-K305 PolarHBondContact O-N 3.04Å; K305-T307 PolarHBondContact O-N 3.39Å; K305-L308 PolarHBondContact O-N 3.09Å; K305-L308 VanDerWaalsContact O-N 3.14Å; K305-E309 WeakPolarHBondContact O-CG 3.48Å; K305-E309 PolarHBondContact O-N 2.9Å
306E73.3Confident78Confident111 Ų111112.4 Ų112.452%0.51956%0.558SS.*Hα-helixtrans-61.6-33.9177.7-74.9-171.9175.500112.7D302 K310D302-E306 PolarHBondContact O-N 2.97Å; E306-K310 WeakPolarHBondContact O-CG 3.45Å; E306-K310 PolarHBondContact O-N 3.39Å
307T69.8Low77.2Confident84 Ų84113.3 Ų113.352%0.51556%0.564SS.*Hα-helixtrans-71.3-38.2176.6-51.60000111.1C303 K305 K310 L311C303-T307 WeakPolarHBondContact O-CB 3.43Å; C303-T307 PolarHBondContact O-N 3.05Å; C303-T307 PolarHBondContact O-OG1 3.22Å; K305-T307 PolarHBondContact O-N 3.39Å; T307-K310 PolarHBondContact O-N 2.66Å; T307-L311 HydrophobicContact CG2-CD1 4.32Å; T307-L311 WeakPolarHBondContact O-CG 3.5Å; T307-L311 PolarHBondContact O-N 2.81Å
308L63.9Low76.4Confident122 Ų122109.4 Ų109.464%0.63956%0.56SS**Hα-helixtrans-71-29.9175-75.7166.9000113.2S304 K305 K310S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 VanDerWaalsContact O-CG 3.3Å; S304-L308 WeakPolarHBondContact O-CG 3.36Å; S304-L308 PolarHBondContact O-N 3.06Å; K305-L308 PolarHBondContact O-N 3.09Å; K305-L308 VanDerWaalsContact O-N 3.14Å; L308-K310 VanDerWaalsContact C-N 3.34Å
309E70.4Confident75.3Confident157 Ų157111.8 Ų111.873%0.73457%0.57SS**Hα-helixtrans-77.4-19.2175.5-74176.6178.400113.2K305K305-E309 WeakPolarHBondContact O-CG 3.48Å; K305-E309 PolarHBondContact O-N 2.9Å
310K70Confident74.3Confident171 Ų171113.4 Ų113.474%0.74358%0.58SS**  trans-91.9-11.3175.9-73.5174.4-175.6166.80113.7E306 T307 L308E306-K310 WeakPolarHBondContact O-CG 3.45Å; E306-K310 PolarHBondContact O-N 3.39Å; T307-K310 PolarHBondContact O-N 2.66Å; L308-K310 VanDerWaalsContact C-N 3.34Å
311L58.6Low73.3Confident188 Ų188114.5 Ų114.598%0.98459%0.585SS**  trans-96.60176.1-76.3168.1000110.6T307T307-L311 HydrophobicContact CG2-CD1 4.32Å; T307-L311 WeakPolarHBondContact O-CG 3.5Å; T307-L311 PolarHBondContact O-N 2.81Å

Retrieved 311 of 311 residues in 727.1 ms (Link to these results)

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