A0A060XNQ9_ONCMY Loading...

TBCC domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A060XNQ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 586 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
1M33.1Very low67.3Low247 Ų24776.5 Ų76.5100%1.21748%0.476SS*.  089.60-77.3178178.300107.3Q3M1-Q3 PolarHBondContact O-N 3.43Å
2D32.7Very low69.6Low171 Ų17175.5 Ų75.591%0.91446%0.456SS*.  trans-72.9112.9178.6-105.3-25.6000109.6G4D2-G4 PolarHBondContact O-N 3.29Å
3Q33Very low71.2Confident186 Ų18670.9 Ų70.987%0.86943%0.427SS*.  trans-81.4100.1164.9-71.5-171.122.300108M1M1-Q3 PolarHBondContact O-N 3.43Å
4G38.8Very low72.7Confident67 Ų6767.4 Ų67.469%0.69140%0.404SS*.  trans-54.9149.9-179.300000113.6D2 G6D2-G4 PolarHBondContact O-N 3.29Å; G4-G6 PolarHBondContact O-N 2.96Å
5G51.3Low74.2Confident51 Ų5163.2 Ų63.253%0.52638%0.379SS..  trans-57.2104.117800000112.1
6G77.6Confident75.5Confident57 Ų5759.3 Ų59.359%0.58836%0.355SS*.  trans-73.3159.1177.300000113.3G4G4-G6 PolarHBondContact O-N 2.96Å
7V90.4Very high76.4Confident36 Ų3656.6 Ų56.622%0.21834%0.339CS..  trans-74.3135.8172.8178.10000110.2V9 V219 L231 L237 W258V7-V9 HydrophobicContact CG1-CG2 4.41Å; V7-V219 HydrophobicContact CG2-CB 4.43Å; V7-V219 HydrophobicContact CG2-CG1 4.14Å; V7-V219 HydrophobicContact CG2-CG2 4.03Å; V7-L231 HydrophobicContact CG1-CD2 3.79Å; V7-L231 HydrophobicContact CG1-CG 4.43Å; V7-L237 HydrophobicContact CB-CD2 4.43Å; V7-L237 HydrophobicContact CG1-CD1 4.36Å; V7-L237 HydrophobicContact CG2-CD1 3.7Å; V7-L237 HydrophobicContact CG2-CD2 3.41Å; V7-L237 VanDerWaalsContact CG2-CD2 3.41Å; V7-L237 HydrophobicContact CG2-CG 4.18Å; V7-W258 HydrophobicContact CG1-CH2 4.13Å; V7-W258 HydrophobicContact CG1-CZ2 4.06Å
8A93.9Very high77.3Confident24 Ų2454.4 Ų54.420%0.19833%0.325CS..EExtended strand (participates in β ladder)trans-121.6131.3173.900000109.5W10 G217 S218 V264A8-W10 HydrophobicContact CB-CE3 4.14Å; A8-W10 HydrophobicContact CB-CZ3 4.01Å; A8-W10 WeakPolarHBondContact O-CZ3 3.22Å; A8-G217 CarbonylContact O-C 3.46Å; A8-G217 WeakPolarHBondContact O-CA 3.38Å; A8-S218 PolarHBondContact N-O 2.94Å; A8-S218 PolarHBondContact O-N 3.4Å; A8-V264 HydrophobicContact CB-CG2 3.77Å
9V96.3Very high78.2Confident0 Ų051.6 Ų51.60%031%0.308CS..EExtended strand (participates in β ladder)trans-118140.4172.6177.30000107.5V7 L215 E216 I228 L231 W258 L259 A262 L263 V264V7-V9 HydrophobicContact CG1-CG2 4.41Å; V9-L215 HydrophobicContact CG1-CB 4.18Å; V9-L215 HydrophobicContact CG1-CD1 4.35Å; V9-L215 HydrophobicContact CG1-CD2 4.28Å; V9-E216 CarbonylContact C-O 3.55Å; V9-E216 WeakPolarHBondContact CA-O 3.35Å; V9-I228 HydrophobicContact CB-CD1 4.43Å; V9-I228 HydrophobicContact CG1-CD1 3.88Å; V9-I228 HydrophobicContact CG2-CD1 3.6Å; V9-L231 HydrophobicContact CG2-CD2 3.92Å; V9-W258 HydrophobicContact CG2-CH2 3.85Å; V9-W258 HydrophobicContact CG2-CZ3 3.99Å; V9-L259 HydrophobicContact CG1-CD2 4.48Å; V9-A262 HydrophobicContact CB-CB 4.26Å; V9-A262 HydrophobicContact CG2-CB 3.94Å; V9-A262 PolarHBondContact N-O 2.95Å; V9-L263 HydrophobicContact CG1-CD1 4.23Å; V9-L263 CarbonylContact O-C 3.55Å; V9-L263 VanDerWaalsContact O-CA 3.27Å; V9-L263 WeakPolarHBondContact O-CA 3.5Å; V9-V264 WeakPolarHBondContact O-CG2 3.47Å; V9-V264 PolarHBondContact O-N 2.92Å
10W96.3Very high78.9Confident2 Ų249.2 Ų49.21%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-143.8161.8-179.557.582.5000112.3A8 R12 E216 V225 V264 N266 P267 F268A8-W10 HydrophobicContact CB-CE3 4.14Å; A8-W10 HydrophobicContact CB-CZ3 4.01Å; A8-W10 WeakPolarHBondContact O-CZ3 3.22Å; W10-R12 PolarHBondContact O-N 3.11Å; W10-E216 HydrophobicContact CZ2-CG 4.13Å; W10-E216 PolarHBondContact N-O 2.92Å; W10-E216 PolarHBondContact NE1-OE1 3.38Å; W10-E216 PolarHBondContact O-N 2.81Å; W10-V225 HydrophobicContact CH2-CG2 4.23Å; W10-V225 HydrophobicContact CZ2-CB 4.42Å; W10-V225 HydrophobicContact CZ2-CG1 3.83Å; W10-V225 HydrophobicContact CZ2-CG2 3.85Å; W10-V264 HydrophobicContact CB-CG2 4.35Å; W10-V264 VanDerWaalsContact CB-O 3.31Å; W10-V264 WeakPolarHBondContact CB-O 3.4Å; W10-V264 HydrophobicContact CE3-CG2 4.39Å; W10-N266 HydrophobicContact CB-CB 4.39Å; W10-N266 HydrophobicContact CG-CB 4.39Å; W10-P267 VanDerWaalsContact CD2-CD 3.4Å; W10-P267 HydrophobicContact CD2-CG 3.91Å; W10-P267 HydrophobicContact CE3-CG 4.08Å; W10-P267 HydrophobicContact CH2-CG 4.11Å; W10-P267 HydrophobicContact CZ2-CG 3.95Å; W10-P267 HydrophobicContact CZ3-CG 4.18Å; W10-F268 HydrophobicContact CZ2-CD2 4.48Å; W10-F268 AromaticContact CZ2-CE2 3.92Å; W10-F268 HydrophobicContact CZ2-CE2 3.92Å
11P96.6Very high79.5Confident1 Ų147.6 Ų47.61%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-61.9128.5172.5-2133.2000111.8F16 H170 L171 L174 L214 V264 N266P11-F16 HydrophobicContact CB-CE2 4.32Å; P11-H170 HydrophobicContact CB-CB 4.04Å; P11-H170 HydrophobicContact CG-CB 4.38Å; P11-L171 HydrophobicContact CG-CB 4.2Å; P11-L171 HydrophobicContact CG-CD1 4.37Å; P11-L174 HydrophobicContact CB-CD1 3.46Å; P11-L174 VanDerWaalsContact CB-CD1 3.46Å; P11-L174 HydrophobicContact CG-CD1 3.54Å; P11-L214 CarbonylContact C-O 3.5Å; P11-L214 WeakPolarHBondContact CA-O 3.46Å; P11-V264 WeakPolarHBondContact CD-O 3.48Å; P11-N266 PolarHBondContact O-ND2 3.02Å
12R94.8Very high82.1Confident64 Ų6437.4 Ų37.424%0.24223%0.234CC..  trans-65.7134.6165.4-73.8-17362.5-155.2-6.1109.4W10 E14 P15 F16 S212 L213 L214 E216W10-R12 PolarHBondContact O-N 3.11Å; R12-E14 IonicContact NH2-OE2 3.92Å; R12-E14 PolarHBondContact NH2-OE2 3.15Å; R12-P15 HydrophobicContact CB-CG 4.33Å; R12-F16 VanDerWaalsContact O-CD2 3.3Å; R12-F16 WeakPolarHBondContact O-CD2 3.47Å; R12-S212 VanDerWaalsContact CD-O 3.28Å; R12-S212 WeakPolarHBondContact CD-O 3.42Å; R12-S212 PolarHBondContact NH1-O 2.95Å; R12-S212 VanDerWaalsContact NH1-O 3.07Å; R12-L213 WeakPolarHBondContact CD-O 3.42Å; R12-L213 PolarHBondContact NH1-O 3.36Å; R12-L214 PolarHBondContact N-O 3.46Å; R12-E216 HydrophobicContact CG-CB 3.93Å; R12-E216 HydrophobicContact CG-CG 3.68Å; R12-E216 IonicContact NE-OE2 3.45Å
13M91Very high84.6Confident16 Ų1629.9 Ų29.98%0.07919%0.194CC..Hα-helixtrans-73.1-44.3-177.3-74.9-62.3-65.200112.7F16 L17 D167 H170 N266M13-F16 PolarHBondContact O-N 3.34Å; M13-F16 VanDerWaalsContact O-N 3.16Å; M13-L17 VanDerWaalsContact O-CB 3.28Å; M13-L17 WeakPolarHBondContact O-CB 3.26Å; M13-L17 PolarHBondContact O-N 3.42Å; M13-D167 HydrophobicContact SD-CB 4.03Å; M13-H170 PolarHBondContact SD-ND1 2.78Å; M13-H170 VanDerWaalsContact SD-ND1 3.4Å; M13-N266 WeakPolarHBondContact CG-ND2 3.33Å
14E92Very high87.2Confident22 Ų2222.4 Ų22.410%0.10316%0.163CC..Hα-helixtrans-55.6-45.1-168.7-67.9179.7113.600115.1R12 F16 L17 L18 R348R12-E14 IonicContact NH2-OE2 3.92Å; R12-E14 PolarHBondContact NH2-OE2 3.15Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.42Å; E14-L17 PolarHBondContact O-N 3.34Å; E14-L18 HydrophobicContact CB-CD1 4.35Å; E14-L18 HydrophobicContact CG-CD1 4.35Å; E14-L18 WeakPolarHBondContact O-CB 3.06Å; E14-L18 PolarHBondContact O-N 3.5Å; E14-R348 IonicContact OE1-CZ 3.3Å; E14-R348 VanDerWaalsContact OE1-CZ 3.32Å; E14-R348 IonicContact OE1-NE 3.47Å; E14-R348 PolarHBondContact OE1-NE 2.7Å; E14-R348 VanDerWaalsContact OE1-NE 3.09Å; E14-R348 IonicContact OE1-NH2 3.67Å; E14-R348 PolarHBondContact OE1-NH2 2.55Å
15P94.8Very high89.6Confident4 Ų419.8 Ų19.83%0.02613%0.134CC..Iπ-helixtrans-59.5-38.3179.7-21.530.6000113R12 G19 A20 I125 L213 L214R12-P15 HydrophobicContact CB-CG 4.33Å; P15-G19 CarbonylContact O-C 3.56Å; P15-G19 WeakPolarHBondContact O-CA 3.41Å; P15-G19 PolarHBondContact O-N 3.26Å; P15-A20 PolarHBondContact O-N 2.92Å; P15-I125 HydrophobicContact CB-CD1 3.69Å; P15-I125 VanDerWaalsContact O-CD1 3.27Å; P15-I125 WeakPolarHBondContact O-CD1 3.19Å; P15-L213 HydrophobicContact CG-CD1 4.4Å; P15-L213 HydrophobicContact CG-CG 4.28Å; P15-L213 WeakPolarHBondContact CG-O 3.44Å; P15-L214 HydrophobicContact CB-CD2 3.86Å; P15-L214 HydrophobicContact CG-CD2 4.16Å
16F94.7Very high91.3Very high0 Ų018.2 Ų18.20%012%0.115CC..Iπ-helixtrans-81.2-38.8178.5-60.5-81000112P11 R12 M13 E14 A20 I125 L128 N164 H170 F173 L174 L214P11-F16 HydrophobicContact CB-CE2 4.32Å; R12-F16 VanDerWaalsContact O-CD2 3.3Å; R12-F16 WeakPolarHBondContact O-CD2 3.47Å; M13-F16 PolarHBondContact O-N 3.34Å; M13-F16 VanDerWaalsContact O-N 3.16Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.42Å; F16-A20 WeakPolarHBondContact O-CB 3.35Å; F16-I125 HydrophobicContact CD1-CB 4.25Å; F16-I125 HydrophobicContact CD1-CD1 4.45Å; F16-I125 HydrophobicContact CD1-CG2 4.47Å; F16-I125 HydrophobicContact CE1-CB 3.91Å; F16-I125 HydrophobicContact CE1-CG2 3.72Å; F16-I125 HydrophobicContact CZ-CG2 4.02Å; F16-L128 HydrophobicContact CB-CD2 4.4Å; F16-L128 HydrophobicContact CD1-CD2 4.07Å; F16-N164 WeakPolarHBondContact O-CB 3.35Å; F16-N164 VanDerWaalsContact O-CG 3.3Å; F16-N164 PolarHBondContact O-ND2 3.42Å; F16-H170 VanDerWaalsContact CB-CE1 3.42Å; F16-H170 WeakPolarHBondContact CB-CE1 3.25Å; F16-H170 WeakPolarHBondContact CB-NE2 3.36Å; F16-H170 HydrophobicContact CD2-CB 4.16Å; F16-H170 AromaticContact CD2-CG 3.94Å; F16-H170 HydrophobicContact CE2-CB 4.37Å; F16-H170 HydrophobicContact CG-CB 4.39Å; F16-H170 AromaticContact CG-CD2 3.76Å; F16-H170 AromaticContact CG-CG 3.85Å; F16-H170 AromaticContact CG-NE2 3.98Å; F16-F173 AromaticContact CE1-CD1 3.74Å; F16-F173 HydrophobicContact CE1-CD1 3.74Å; F16-F173 HydrophobicContact CE1-CE1 4.11Å; F16-F173 HydrophobicContact CE1-CG 4.45Å; F16-F173 HydrophobicContact CZ-CD1 4.18Å; F16-L174 HydrophobicContact CE2-CD1 4.06Å; F16-L174 HydrophobicContact CZ-CD1 3.97Å; F16-L174 HydrophobicContact CZ-CD2 4.27Å; F16-L174 HydrophobicContact CZ-CG 3.98Å; F16-L214 HydrophobicContact CE2-CD2 4.48Å; F16-L214 HydrophobicContact CZ-CD2 4.45Å
17L92.4Very high91.6Very high14 Ų1419.4 Ų19.47%0.07311%0.111CC..Iπ-helixtrans-66.2-50.9-178.8173.958.4000111.9M13 E14 N164 W165 N330M13-L17 VanDerWaalsContact O-CB 3.28Å; M13-L17 WeakPolarHBondContact O-CB 3.26Å; M13-L17 PolarHBondContact O-N 3.42Å; E14-L17 PolarHBondContact O-N 3.34Å; L17-N164 WeakPolarHBondContact CA-O 3.32Å; L17-W165 HydrophobicContact CD1-CD2 3.67Å; L17-W165 HydrophobicContact CD1-CE3 4.43Å; L17-W165 HydrophobicContact CD1-CG 3.91Å; L17-W165 HydrophobicContact CD1-CH2 4.42Å; L17-W165 HydrophobicContact CD1-CZ2 3.67Å; L17-W165 HydrophobicContact CD2-CH2 4.25Å; L17-W165 HydrophobicContact CD2-CZ2 4.15Å; L17-N330 HydrophobicContact CD2-CB 4.08Å
18L92.1Very high91.5Very high18 Ų1820 Ų209%0.09411%0.111CC..Iπ-helixtrans-104.9-26.4-168.9-54.7177.2000112.5E14 L81 T367E14-L18 HydrophobicContact CB-CD1 4.35Å; E14-L18 HydrophobicContact CG-CD1 4.35Å; E14-L18 WeakPolarHBondContact O-CB 3.06Å; E14-L18 PolarHBondContact O-N 3.5Å; L18-L81 HydrophobicContact CB-CD2 3.53Å; L18-L81 HydrophobicContact CD1-CD2 4.37Å; L18-T367 HydrophobicContact CD1-CG2 4.21Å; L18-T367 WeakPolarHBondContact CD1-OG1 3.38Å
19G93.2Very high91.2Very high0 Ų019 Ų190%010%0.102CC..Iπ-helixtrans-96-40-174.100000115.4P15 L21 F122 Q126P15-G19 CarbonylContact O-C 3.56Å; P15-G19 WeakPolarHBondContact O-CA 3.41Å; P15-G19 PolarHBondContact O-N 3.26Å; G19-L21 PolarHBondContact O-N 3.39Å; G19-F122 WeakPolarHBondContact O-CE2 3.23Å; G19-Q126 PolarHBondContact O-NE2 2.81Å
20A93.8Very high90.9Very high4 Ų420.2 Ų20.23%0.03311%0.11CC..SBendtrans-72.8116.8179.400000109.9P15 F16 L128 N164P15-A20 PolarHBondContact O-N 2.92Å; F16-A20 WeakPolarHBondContact O-CB 3.35Å; A20-L128 HydrophobicContact CB-CD2 4.27Å; A20-N164 PolarHBondContact O-ND2 3.16Å
21L91.3Very high90.6Very high16 Ų1621.4 Ų21.48%0.08412%0.117CC..  trans-67.2140.1177.2-58.1179.9000109.9G19 V23 L73 Y74 N129 L405G19-L21 PolarHBondContact O-N 3.39Å; L21-V23 HydrophobicContact CB-CG1 3.96Å; L21-V23 PolarHBondContact O-N 2.98Å; L21-L73 HydrophobicContact CD1-CD2 3.81Å; L21-L73 HydrophobicContact CD1-CG 4.25Å; L21-Y74 HydrophobicContact CD1-CD1 4.32Å; L21-Y74 HydrophobicContact CD1-CE1 3.71Å; L21-Y74 HydrophobicContact CG-CE1 4.34Å; L21-N129 PolarHBondContact O-ND2 3.36Å; L21-L405 HydrophobicContact CD2-CD1 4.46Å
22Q87.4Confident90.3Very high33 Ų3326.2 Ų26.215%0.15414%0.139CC..SBendtrans-80.539.7-179.9-69179.644.400112.8N162 N164 H370 L407Q22-N162 VanDerWaalsContact CD-ND2 3.33Å; Q22-N162 VanDerWaalsContact CD-OD1 3.23Å; Q22-N162 PolarHBondContact NE2-ND2 3.47Å; Q22-N162 VanDerWaalsContact NE2-ND2 3.13Å; Q22-N162 PolarHBondContact NE2-OD1 3.4Å; Q22-N162 PolarHBondContact OE1-ND2 3.39Å; Q22-N162 PolarHBondContact OE1-OD1 3.25Å; Q22-N164 WeakPolarHBondContact CG-ND2 3.34Å; Q22-H370 PolarHBondContact NE2-CD2 3.39Å; Q22-H370 VanDerWaalsContact NE2-CD2 3.29Å; Q22-H370 PolarHBondContact NE2-CE1 3.11Å; Q22-H370 PolarHBondContact NE2-ND1 3.47Å; Q22-H370 VanDerWaalsContact NE2-ND1 3.13Å; Q22-H370 PolarHBondContact NE2-NE2 3.14Å; Q22-H370 VanDerWaalsContact NE2-NE2 3.2Å; Q22-H370 PolarHBondContact OE1-CE1 3.38Å; Q22-H370 PolarHBondContact OE1-ND1 2.95Å; Q22-H370 PolarHBondContact OE1-NE2 3.46Å; Q22-L407 HydrophobicContact CB-CD1 4Å
23V85.9Confident90.2Very high13 Ų1326.9 Ų26.98%0.07914%0.142CC..SBendtrans-137.5152.3176.864.80000107.9L21 P408 V447 V449L21-V23 HydrophobicContact CB-CG1 3.96Å; L21-V23 PolarHBondContact O-N 2.98Å; V23-P408 HydrophobicContact CG2-CG 4.43Å; V23-V447 HydrophobicContact CG1-CG1 3.91Å; V23-V449 HydrophobicContact CG2-CG2 4.23Å
24A86.5Confident90.4Very high28 Ų2826.1 Ų26.123%0.23114%0.138CC..PPolyproline II helixtrans-60.4133.6174.700000109.8
25P88.4Confident90.4Very high12 Ų1227.3 Ų27.38%0.07814%0.142CC..PPolyproline II helixtrans-68.9155.1178.729.7-35.5000110.6L29 Q126P25-L29 HydrophobicContact CB-CD2 4.13Å; P25-Q126 HydrophobicContact CB-CB 3.97Å; P25-Q126 WeakPolarHBondContact CD-O 3.37Å; P25-Q126 WeakPolarHBondContact CG-O 3.12Å
26P87.9Confident90.2Very high18 Ų1832.8 Ų32.812%0.11717%0.165CC..PPolyproline II helixtrans-53.4141.1171-24.633.7000111.4K28 L29 L66 L70 Y74P26-K28 PolarHBondContact O-N 3.25Å; P26-K28 VanDerWaalsContact O-N 3.13Å; P26-L29 WeakPolarHBondContact O-CB 3.37Å; P26-L29 PolarHBondContact O-N 3.16Å; P26-L66 HydrophobicContact CB-CD2 3.67Å; P26-L66 HydrophobicContact CG-CD2 3.72Å; P26-L70 HydrophobicContact CG-CD2 3.73Å; P26-Y74 VanDerWaalsContact CD-OH 3.28Å; P26-Y74 WeakPolarHBondContact CD-OH 3.45Å
27T84.9Confident90.2Very high83 Ų8333 Ų3351%0.50917%0.167SC..THydrogen-bonded Turntrans-58.4-30.8-177.953.40000113.2L29 E450T27-L29 VanDerWaalsContact C-N 3.27Å; T27-L29 PolarHBondContact O-N 3.35Å; T27-E450 WeakPolarHBondContact CB-OE2 3.18Å; T27-E450 VanDerWaalsContact CG2-OE2 3.23Å; T27-E450 WeakPolarHBondContact CG2-OE2 3.47Å; T27-E450 PolarHBondContact N-OE2 2.91Å; T27-E450 PolarHBondContact OG1-OE1 2.94Å; T27-E450 PolarHBondContact OG1-OE2 2.93Å
28K86.7Confident90.2Very high49 Ų4932.6 Ų32.621%0.21317%0.165CC..THydrogen-bonded Turntrans-74.2-11.4176.2-69.4179.1-179.2171.30114.1P26 S30 Y33 L64P26-K28 PolarHBondContact O-N 3.25Å; P26-K28 VanDerWaalsContact O-N 3.13Å; K28-S30 PolarHBondContact O-N 3.14Å; K28-Y33 HydrophobicContact CB-CD2 4.41Å; K28-Y33 HydrophobicContact CB-CE2 4.38Å; K28-Y33 HydrophobicContact CG-CE2 4.28Å; K28-Y33 VanDerWaalsContact O-CB 3.22Å; K28-Y33 WeakPolarHBondContact O-CB 3.45Å; K28-Y33 WeakPolarHBondContact O-CD2 3.37Å; K28-L64 WeakPolarHBondContact CD-O 3.46Å
29L88.4Confident90.2Very high1 Ų133.6 Ų33.61%0.00518%0.176CC..SBendtrans-81.940.7170.4-157.972000111.7P25 P26 T27 L34 L64 Y74 L123 Q126 Q127P25-L29 HydrophobicContact CB-CD2 4.13Å; P26-L29 WeakPolarHBondContact O-CB 3.37Å; P26-L29 PolarHBondContact O-N 3.16Å; T27-L29 VanDerWaalsContact C-N 3.27Å; T27-L29 PolarHBondContact O-N 3.35Å; L29-L34 HydrophobicContact CD1-CD2 4.16Å; L29-L64 HydrophobicContact CD1-CD1 4.41Å; L29-Y74 HydrophobicContact CD2-CE1 4.5Å; L29-L123 HydrophobicContact CD1-CB 4.2Å; L29-L123 HydrophobicContact CD1-CD1 4.39Å; L29-L123 HydrophobicContact CD1-CD2 4.19Å; L29-L123 HydrophobicContact CD1-CG 4.5Å; L29-L123 WeakPolarHBondContact CD2-O 3.42Å; L29-Q126 HydrophobicContact CD2-CB 3.97Å; L29-Q126 HydrophobicContact CD2-CG 4.03Å; L29-Q127 PolarHBondContact O-NE2 3.4Å
30S89.7Confident90.2Very high26 Ų2636.6 Ų36.618%0.18219%0.187CC..SBendtrans-90.2162.3-179.570.40000112.2K28 H32 Y33 L34K28-S30 PolarHBondContact O-N 3.14Å; S30-H32 PolarHBondContact O-N 2.87Å; S30-H32 VanDerWaalsContact O-N 3.13Å; S30-Y33 PolarHBondContact O-N 3.39Å; S30-Y33 WeakPolarHBondContact OG-CD2 3.5Å; S30-L34 WeakPolarHBondContact O-CG 3.42Å; S30-L34 PolarHBondContact O-N 3.49Å
31L90.5Very high90.2Very high28 Ų2836.4 Ų36.415%0.14719%0.186CC..Hα-helixtrans-49.9-40.1177.7-179.663.2000113.1Y33 L34 R35 Y124 E180L31-Y33 PolarHBondContact O-N 3.42Å; L31-L34 PolarHBondContact O-N 3.5Å; L31-R35 HydrophobicContact CD1-CG 4.31Å; L31-R35 VanDerWaalsContact CD2-CZ 3.41Å; L31-R35 WeakPolarHBondContact O-CG 3.13Å; L31-R35 PolarHBondContact O-N 3.1Å; L31-Y124 HydrophobicContact CB-CE2 4.15Å; L31-Y124 HydrophobicContact CD1-CD2 4.13Å; L31-Y124 HydrophobicContact CD1-CE2 3.77Å; L31-Y124 HydrophobicContact CG-CE2 4.43Å; L31-E180 HydrophobicContact CD1-CB 4.22Å; L31-E180 HydrophobicContact CD2-CB 3.91Å; L31-E180 HydrophobicContact CD2-CG 3.74Å; L31-E180 WeakPolarHBondContact CD2-OE2 3.08Å
32H90.6Very high90.2Very high101 Ų10137.5 Ų37.547%0.46819%0.189SC..Hα-helixtrans-57.6-47.9178.1177.965.2000112.5S30 R35 K36S30-H32 PolarHBondContact O-N 2.87Å; S30-H32 VanDerWaalsContact O-N 3.13Å; H32-R35 PolarHBondContact O-N 2.87Å; H32-K36 WeakPolarHBondContact NE2-CE 3.38Å; H32-K36 PolarHBondContact NE2-NZ 2.91Å; H32-K36 PolarHBondContact O-N 3.35Å; H32-K36 VanDerWaalsContact O-N 3.14Å
33Y92.4Very high90.4Very high78 Ų7840 Ų4031%0.30621%0.21SC..Hα-helixtrans-73.2-35.5179.9-74.9-73.8000112.1K28 S30 L31 R35 K36 M37 L64K28-Y33 HydrophobicContact CB-CD2 4.41Å; K28-Y33 HydrophobicContact CB-CE2 4.38Å; K28-Y33 HydrophobicContact CG-CE2 4.28Å; K28-Y33 VanDerWaalsContact O-CB 3.22Å; K28-Y33 WeakPolarHBondContact O-CB 3.45Å; K28-Y33 WeakPolarHBondContact O-CD2 3.37Å; S30-Y33 PolarHBondContact O-N 3.39Å; S30-Y33 WeakPolarHBondContact OG-CD2 3.5Å; L31-Y33 PolarHBondContact O-N 3.42Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 2.97Å; Y33-K36 PolarHBondContact O-N 2.99Å; Y33-M37 WeakPolarHBondContact O-CB 3.38Å; Y33-M37 PolarHBondContact O-N 3.37Å; Y33-L64 HydrophobicContact CD1-CD2 3.83Å; Y33-L64 HydrophobicContact CG-CD2 3.9Å
34L94Very high90.6Very high1 Ų145.6 Ų45.61%0.00523%0.23CC..Hα-helixtrans-63.4-39.1174.2-66.5178.3000111.8L29 S30 L31 M37 A38 L120 L123 Y124 L184L29-L34 HydrophobicContact CD1-CD2 4.16Å; S30-L34 WeakPolarHBondContact O-CG 3.42Å; S30-L34 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-M37 WeakPolarHBondContact O-CB 3.36Å; L34-M37 PolarHBondContact O-N 3.36Å; L34-A38 VanDerWaalsContact O-CB 3.32Å; L34-A38 WeakPolarHBondContact O-CB 3.14Å; L34-A38 PolarHBondContact O-N 3.44Å; L34-L120 HydrophobicContact CB-CD2 4.47Å; L34-L120 HydrophobicContact CD2-CD2 4.37Å; L34-L123 HydrophobicContact CD1-CB 4.47Å; L34-L123 HydrophobicContact CD2-CB 3.82Å; L34-L123 HydrophobicContact CD2-CD1 3.88Å; L34-Y124 HydrophobicContact CD1-CD2 3.88Å; L34-Y124 HydrophobicContact CD1-CG 4.33Å; L34-L184 HydrophobicContact CB-CD1 3.87Å; L34-L184 HydrophobicContact CB-CD2 4.49Å
35R92.1Very high90.7Very high46 Ų4653.7 Ų53.717%0.17426%0.263CS..Hα-helixtrans-63.3-43172-73.7178.4-176.9145.9-3.9112.2L31 H32 Y33 M37 A38 A39 E183 L184 G195L31-R35 HydrophobicContact CD1-CG 4.31Å; L31-R35 VanDerWaalsContact CD2-CZ 3.41Å; L31-R35 WeakPolarHBondContact O-CG 3.13Å; L31-R35 PolarHBondContact O-N 3.1Å; H32-R35 PolarHBondContact O-N 2.87Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 2.97Å; R35-M37 VanDerWaalsContact C-N 3.33Å; R35-M37 PolarHBondContact O-N 3.34Å; R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 3.41Å; R35-A39 PolarHBondContact O-N 3.08Å; R35-E183 IonicContact CZ-OE2 3.57Å; R35-E183 IonicContact NH2-OE2 3.82Å; R35-E183 PolarHBondContact NH2-OE2 3.32Å; R35-L184 HydrophobicContact CG-CD1 4.22Å; R35-G195 PolarHBondContact NE-O 3.34Å; R35-G195 PolarHBondContact NH2-O 3.45Å; R35-G195 VanDerWaalsContact NH2-O 3.14Å
36K91.8Very high90.7Very high120 Ų12057 Ų5752%0.52230%0.299SS..Hα-helixtrans-61.4-42.1175.1-75-175.4173.7-173.60112H32 Y33 A39 Y40H32-K36 WeakPolarHBondContact NE2-CE 3.38Å; H32-K36 PolarHBondContact NE2-NZ 2.91Å; H32-K36 PolarHBondContact O-N 3.35Å; H32-K36 VanDerWaalsContact O-N 3.14Å; Y33-K36 PolarHBondContact O-N 2.99Å; K36-A39 PolarHBondContact O-N 2.71Å; K36-Y40 VanDerWaalsContact O-CB 3.27Å; K36-Y40 WeakPolarHBondContact O-CB 3.33Å; K36-Y40 PolarHBondContact O-N 3.08Å
37M93.6Very high90.7Very high5 Ų556.8 Ų56.83%0.02530%0.298CS..Hα-helixtrans-60.6-49.3173.5172.1-179169.200110.7Y33 L34 R35 A39 Y40 V41 L51 W56 I59 F119 L120 L123Y33-M37 WeakPolarHBondContact O-CB 3.38Å; Y33-M37 PolarHBondContact O-N 3.37Å; L34-M37 WeakPolarHBondContact O-CB 3.36Å; L34-M37 PolarHBondContact O-N 3.36Å; R35-M37 VanDerWaalsContact C-N 3.33Å; R35-M37 PolarHBondContact O-N 3.34Å; M37-A39 VanDerWaalsContact C-N 3.28Å; M37-A39 PolarHBondContact O-N 3.27Å; M37-Y40 PolarHBondContact O-N 3Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; M37-V41 HydrophobicContact CG-CG2 4.11Å; M37-V41 WeakPolarHBondContact O-CB 3.11Å; M37-V41 VanDerWaalsContact O-CG2 3.3Å; M37-V41 WeakPolarHBondContact O-CG2 3.45Å; M37-V41 PolarHBondContact O-N 3.27Å; M37-L51 HydrophobicContact CE-CD2 3.52Å; M37-W56 HydrophobicContact CE-CE3 3.85Å; M37-W56 HydrophobicContact CE-CZ3 3.88Å; M37-W56 HydrophobicContact SD-CE3 4.2Å; M37-W56 HydrophobicContact SD-CZ3 3.69Å; M37-I59 HydrophobicContact CB-CG2 4.43Å; M37-I59 HydrophobicContact CG-CD1 4.28Å; M37-I59 HydrophobicContact CG-CG2 4.23Å; M37-I59 HydrophobicContact SD-CG2 4.4Å; M37-F119 HydrophobicContact CE-CD1 4Å; M37-F119 HydrophobicContact CE-CE1 4.22Å; M37-L120 HydrophobicContact CB-CD2 4.46Å; M37-L120 HydrophobicContact CE-CD2 4.1Å; M37-L120 HydrophobicContact CG-CD2 4.09Å; M37-L120 HydrophobicContact SD-CD2 3.84Å; M37-L123 HydrophobicContact CE-CD1 4.23Å; M37-L123 HydrophobicContact SD-CD1 4.07Å
38A92.4Very high91.1Very high5 Ų556.3 Ų56.34%0.04129%0.289CS..Hα-helixtrans-57.8-38.8-18000000112.8L34 R35 R42 L120 L184L34-A38 VanDerWaalsContact O-CB 3.32Å; L34-A38 WeakPolarHBondContact O-CB 3.14Å; L34-A38 PolarHBondContact O-N 3.44Å; R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 3.41Å; A38-R42 WeakPolarHBondContact O-CG 3.41Å; A38-R42 PolarHBondContact O-N 2.96Å; A38-R42 PolarHBondContact O-NH1 3.27Å; A38-L120 HydrophobicContact CB-CD1 3.58Å; A38-L120 HydrophobicContact CB-CD2 4.29Å; A38-L184 HydrophobicContact CB-CD1 4.35Å
39A92.3Very high91.5Very high39 Ų3957.5 Ų57.532%0.32230%0.302SS..Hα-helixtrans-71.7-45174.400000112.6R35 K36 M37 R42 S43 P188R35-A39 PolarHBondContact O-N 3.08Å; K36-A39 PolarHBondContact O-N 2.71Å; M37-A39 VanDerWaalsContact C-N 3.28Å; M37-A39 PolarHBondContact O-N 3.27Å; A39-R42 PolarHBondContact O-N 2.9Å; A39-S43 PolarHBondContact O-N 2.96Å; A39-S43 VanDerWaalsContact O-N 3.15Å; A39-S43 PolarHBondContact O-OG 3.1Å; A39-P188 HydrophobicContact CB-CB 3.93Å; A39-P188 HydrophobicContact CB-CG 3.96Å
40Y93.3Very high91.8Very high62 Ų6261.3 Ų61.324%0.24332%0.321CS..Hα-helixtrans-62.1-48.1-178.7-179.8-100.8000111.9K36 M37 R42 S43 R44 M55 I59K36-Y40 VanDerWaalsContact O-CB 3.27Å; K36-Y40 WeakPolarHBondContact O-CB 3.33Å; K36-Y40 PolarHBondContact O-N 3.08Å; M37-Y40 PolarHBondContact O-N 3Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; Y40-R42 PolarHBondContact O-N 3.37Å; Y40-S43 PolarHBondContact O-N 2.8Å; Y40-S43 PolarHBondContact O-OG 2.84Å; Y40-R44 HydrophobicContact CE1-CG 4.28Å; Y40-R44 HydrophobicContact CE2-CG 4.49Å; Y40-R44 WeakPolarHBondContact O-CG 3.48Å; Y40-R44 PolarHBondContact O-N 3.39Å; Y40-R44 PolarHBondContact OH-NE 3.25Å; Y40-M55 HydrophobicContact CE1-SD 3.87Å; Y40-I59 HydrophobicContact CD1-CD1 3.92Å; Y40-I59 HydrophobicContact CD1-CG1 4.13Å; Y40-I59 HydrophobicContact CE1-CD1 4.24Å; Y40-I59 HydrophobicContact CE1-CG1 4.14Å
41V93.7Very high92.1Very high0 Ų060.1 Ų60.10%031%0.312CS..Hα-helixtrans-64.1-41.1-178.1174.60000111.4M37 S43 R44 C47 F48 L51 I59 T116M37-V41 HydrophobicContact CG-CG2 4.11Å; M37-V41 WeakPolarHBondContact O-CB 3.11Å; M37-V41 VanDerWaalsContact O-CG2 3.3Å; M37-V41 WeakPolarHBondContact O-CG2 3.45Å; M37-V41 PolarHBondContact O-N 3.27Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.34Å; V41-R44 PolarHBondContact O-N 3.4Å; V41-C47 HydrophobicContact CG1-CB 3.98Å; V41-C47 WeakPolarHBondContact CG1-O 3.49Å; V41-F48 HydrophobicContact CG1-CB 4.46Å; V41-L51 HydrophobicContact CG1-CD1 4.09Å; V41-L51 HydrophobicContact CG2-CD1 3.99Å; V41-I59 HydrophobicContact CG2-CD1 3.58Å; V41-T116 HydrophobicContact CB-CG2 4.37Å; V41-T116 HydrophobicContact CG1-CG2 3.72Å
42R91.4Very high92.4Very high39 Ų3960 Ų6015%0.14732%0.317CS..Hα-helixtrans-67-27.3175.9-75.7-176.6177.394.5-15.5114A38 A39 Y40 R44 F48 L117 L185 E187A38-R42 WeakPolarHBondContact O-CG 3.41Å; A38-R42 PolarHBondContact O-N 2.96Å; A38-R42 PolarHBondContact O-NH1 3.27Å; A39-R42 PolarHBondContact O-N 2.9Å; Y40-R42 PolarHBondContact O-N 3.37Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-F48 HydrophobicContact CG-CB 4.48Å; R42-F48 HydrophobicContact CG-CD1 4.4Å; R42-F48 HydrophobicContact CG-CD2 3.73Å; R42-F48 HydrophobicContact CG-CE2 4.02Å; R42-F48 HydrophobicContact CG-CG 3.94Å; R42-F48 HydrophobicContact CG-CZ 4.47Å; R42-L117 VanDerWaalsContact NH2-CD2 3.28Å; R42-L185 PolarHBondContact NH2-O 2.85Å; R42-E187 WeakPolarHBondContact CD-OE2 3.5Å; R42-E187 IonicContact CZ-OE1 3.91Å; R42-E187 IonicContact NE-OE1 3.22Å; R42-E187 PolarHBondContact NE-OE1 3.1Å; R42-E187 IonicContact NE-OE2 2.87Å; R42-E187 PolarHBondContact NE-OE2 3.5Å; R42-E187 IonicContact NH2-OE1 3.91Å
43S90.8Very high92.6Very high86 Ų8655.2 Ų55.260%0.60130%0.295SS*.THydrogen-bonded Turntrans-80.5-10.7177.570.80000114.5A39 Y40 V41A39-S43 PolarHBondContact O-N 2.96Å; A39-S43 VanDerWaalsContact O-N 3.15Å; A39-S43 PolarHBondContact O-OG 3.1Å; Y40-S43 PolarHBondContact O-N 2.8Å; Y40-S43 PolarHBondContact O-OG 2.84Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.34Å
44R91.6Very high92.7Very high131 Ų13155.8 Ų55.849%0.49430%0.303SS..SBendtrans-103.9129.9-175.2-71.2-71.8-175.8173.7-2.8110.2Y40 V41 R42 C47Y40-R44 HydrophobicContact CE1-CG 4.28Å; Y40-R44 HydrophobicContact CE2-CG 4.49Å; Y40-R44 WeakPolarHBondContact O-CG 3.48Å; Y40-R44 PolarHBondContact O-N 3.39Å; Y40-R44 PolarHBondContact OH-NE 3.25Å; V41-R44 PolarHBondContact O-N 3.4Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R44-C47 HydrophobicContact CB-CB 3.96Å; R44-C47 PolarHBondContact O-N 3.41Å
45E88.3Confident92.8Very high197 Ų19757.8 Ų57.892%0.92131%0.313SS*.THydrogen-bonded Turntrans-59.6138.8176.2-65.5-171.9167.300111.3C47E45-C47 PolarHBondContact O-N 2.96Å; E45-C47 VanDerWaalsContact O-N 3.15Å; E45-C47 PolarHBondContact O-SG 3.17Å
46G87.2Confident93Very high81 Ų8155.6 Ų55.684%0.83531%0.305SS*.THydrogen-bonded Turntrans70.13.4178.100000115.9
47C89.4Confident93.2Very high15 Ų1553 Ų5310%0.10129%0.292CS..  trans-102.5-8-178.6-59.60000113.6V41 R44 E45 M50 M55 T116V41-C47 HydrophobicContact CG1-CB 3.98Å; V41-C47 WeakPolarHBondContact CG1-O 3.49Å; R44-C47 HydrophobicContact CB-CB 3.96Å; R44-C47 PolarHBondContact O-N 3.41Å; E45-C47 PolarHBondContact O-N 2.96Å; E45-C47 VanDerWaalsContact O-N 3.15Å; E45-C47 PolarHBondContact O-SG 3.17Å; C47-M50 CarbonylContact C-O 3.54Å; C47-M50 VanDerWaalsContact C-O 3.22Å; C47-M50 CarbonylContact O-C 3.58Å; C47-M55 HydrophobicContact CB-CG 4.47Å; C47-M55 WeakPolarHBondContact SG-CE 3.31Å; C47-T116 PolarHBondContact O-OG1 3.34Å
48F93.3Very high93.3Very high73 Ų7357 Ų5732%0.3231%0.31SS..SBendtrans-136.3136.7177.2-176.3-94.3000108.9V41 R42 T116 L117V41-F48 HydrophobicContact CG1-CB 4.46Å; R42-F48 HydrophobicContact CG-CB 4.48Å; R42-F48 HydrophobicContact CG-CD1 4.4Å; R42-F48 HydrophobicContact CG-CD2 3.73Å; R42-F48 HydrophobicContact CG-CE2 4.02Å; R42-F48 HydrophobicContact CG-CG 3.94Å; R42-F48 HydrophobicContact CG-CZ 4.47Å; F48-T116 HydrophobicContact CD2-CG2 4.18Å; F48-L117 HydrophobicContact CE2-CD2 3.94Å; F48-L117 HydrophobicContact CE2-CG 4.06Å; F48-L117 HydrophobicContact CZ-CD1 4.44Å; F48-L117 HydrophobicContact CZ-CG 4.48Å
49P93.8Very high93.5Very high74 Ų7457 Ų5748%0.48131%0.309SS..SBendcis-81.7-11.5832.9-36000115T116P49-T116 VanDerWaalsContact O-CB 3.24Å; P49-T116 WeakPolarHBondContact O-CB 3.31Å; P49-T116 PolarHBondContact O-N 3.15Å; P49-T116 PolarHBondContact O-OG1 3.15Å
50M95.5Very high93.6Very high81 Ų8155.1 Ų55.140%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-99.6126.7-178-60.9-58-70.100111.8C47 C113 V114 D115C47-M50 CarbonylContact C-O 3.54Å; C47-M50 VanDerWaalsContact C-O 3.22Å; C47-M50 CarbonylContact O-C 3.58Å; M50-C113 HydrophobicContact CB-CB 4.33Å; M50-C113 HydrophobicContact CE-CB 4.22Å; M50-C113 VanDerWaalsContact CE-SG 3.51Å; M50-V114 CarbonylContact C-O 3.48Å; M50-V114 WeakPolarHBondContact CA-O 3.15Å; M50-D115 HydrophobicContact SD-CB 4.49Å
51L95.9Very high93.7Very high0 Ų054.2 Ų54.20%030%0.296CS..EExtended strand (participates in β ladder)trans-98.9114.3176.7-17970.3000110M37 V41 M55 W56 C113 V114 T116 F119M37-L51 HydrophobicContact CE-CD2 3.52Å; V41-L51 HydrophobicContact CG1-CD1 4.09Å; V41-L51 HydrophobicContact CG2-CD1 3.99Å; L51-M55 HydrophobicContact CD1-CB 3.85Å; L51-M55 HydrophobicContact CD1-CG 3.62Å; L51-W56 HydrophobicContact CD2-CB 4.07Å; L51-W56 HydrophobicContact CG-CB 4.33Å; L51-C113 VanDerWaalsContact O-CA 3.3Å; L51-C113 WeakPolarHBondContact O-CA 3.27Å; L51-V114 HydrophobicContact CB-CG2 4.12Å; L51-V114 PolarHBondContact N-O 3.18Å; L51-V114 PolarHBondContact O-N 2.87Å; L51-T116 PolarHBondContact N-OG1 3.1Å; L51-F119 HydrophobicContact CD2-CD1 3.71Å; L51-F119 HydrophobicContact CD2-CE1 4.03Å
52G95.9Very high93.8Very high25 Ų2556.4 Ų56.426%0.25832%0.319SS..EExtended strand (participates in β ladder)trans-79.4155.9174.800000113.8L54 M55 W56G52-L54 VanDerWaalsContact C-N 3.31Å; G52-L54 PolarHBondContact O-N 2.84Å; G52-M55 PolarHBondContact O-N 2.92Å; G52-M55 VanDerWaalsContact O-N 3.14Å; G52-W56 PolarHBondContact O-N 3.17Å
53W95.4Very high93.8Very high1 Ų160.7 Ų60.70%0.00434%0.339CS..Hα-helixtrans-51-45.3178.5167.3-122.4000113.2M55 W56 R57 E68 A71 W72 F75 R109 L112W53-M55 VanDerWaalsContact C-N 3.31Å; W53-M55 PolarHBondContact O-N 3.11Å; W53-W56 AromaticContact CE3-CD1 3.69Å; W53-W56 AromaticContact CZ3-CD1 3.47Å; W53-W56 VanDerWaalsContact CZ3-CD1 3.47Å; W53-W56 PolarHBondContact O-N 2.78Å; W53-R57 HydrophobicContact CD2-CB 4.38Å; W53-R57 HydrophobicContact CH2-CB 4.15Å; W53-R57 HydrophobicContact CH2-CG 4.46Å; W53-R57 HydrophobicContact CZ2-CB 4Å; W53-R57 HydrophobicContact CZ2-CG 4.16Å; W53-R57 HydrophobicContact CZ3-CB 4.43Å; W53-R57 WeakPolarHBondContact O-CB 3.37Å; W53-R57 PolarHBondContact O-N 3.37Å; W53-E68 HydrophobicContact CZ2-CG 4.29Å; W53-A71 HydrophobicContact CH2-CB 4.2Å; W53-A71 HydrophobicContact CZ3-CB 4.39Å; W53-W72 AromaticContact CD2-CE3 3.59Å; W53-W72 HydrophobicContact CD2-CE3 3.59Å; W53-W72 AromaticContact CD2-CZ3 3.71Å; W53-W72 HydrophobicContact CD2-CZ3 3.71Å; W53-W72 AromaticContact CE2-CE3 3.63Å; W53-W72 AromaticContact CE3-CE3 3.58Å; W53-W72 HydrophobicContact CE3-CE3 3.58Å; W53-W72 AromaticContact CE3-CZ3 3.95Å; W53-W72 HydrophobicContact CE3-CZ3 3.95Å; W53-W72 HydrophobicContact CG-CE3 4.32Å; W53-W72 AromaticContact CG-CZ3 3.96Å; W53-W72 HydrophobicContact CG-CZ3 3.96Å; W53-W72 VanDerWaalsContact CH2-CA 3.48Å; W53-W72 HydrophobicContact CH2-CB 3.65Å; W53-W72 HydrophobicContact CH2-CD2 4.44Å; W53-W72 AromaticContact CH2-CE3 3.77Å; W53-W72 HydrophobicContact CH2-CE3 3.77Å; W53-W72 HydrophobicContact CH2-CG 4.46Å; W53-W72 HydrophobicContact CZ2-CB 4.23Å; W53-W72 AromaticContact CZ2-CE3 3.74Å; W53-W72 HydrophobicContact CZ2-CE3 3.74Å; W53-W72 HydrophobicContact CZ3-CB 4.15Å; W53-W72 AromaticContact CZ3-CE3 3.68Å; W53-W72 HydrophobicContact CZ3-CE3 3.68Å; W53-W72 HydrophobicContact CZ3-CZ3 4.49Å; W53-F75 HydrophobicContact CB-CD1 4.43Å; W53-F75 HydrophobicContact CB-CE1 3.96Å; W53-F75 HydrophobicContact CB-CZ 4.23Å; W53-F75 HydrophobicContact CE3-CB 4.03Å; W53-F75 HydrophobicContact CE3-CD1 4.07Å; W53-F75 HydrophobicContact CE3-CD2 4.36Å; W53-F75 AromaticContact CE3-CG 3.9Å; W53-F75 HydrophobicContact CE3-CG 3.9Å; W53-F75 HydrophobicContact CZ3-CB 4.09Å; W53-F75 HydrophobicContact CZ3-CG 4.45Å; W53-R109 WeakPolarHBondContact CB-O 3.11Å; W53-R109 HydrophobicContact CG-CB 4.46Å; W53-L112 PolarHBondContact N-O 2.87Å; W53-L112 VanDerWaalsContact N-O 3.13Å
54L94.3Very high93.8Very high91 Ų9156.9 Ų56.948%0.47631%0.311SS..Hα-helixtrans-60.5-39.4-177.9-67.8177.9000112.9G52 H58 S110G52-L54 VanDerWaalsContact C-N 3.31Å; G52-L54 PolarHBondContact O-N 2.84Å; L54-H58 WeakPolarHBondContact O-CB 3.38Å; L54-H58 PolarHBondContact O-N 2.95Å; L54-S110 WeakPolarHBondContact CD2-OG 3.23Å
55M95.9Very high93.9Very high43 Ų4357 Ų5721%0.21232%0.318CS..Hα-helixtrans-72.2-42.4177.5-175.953.571.100110.9Y40 C47 L51 G52 W53 H58 I59Y40-M55 HydrophobicContact CE1-SD 3.87Å; C47-M55 HydrophobicContact CB-CG 4.47Å; C47-M55 WeakPolarHBondContact SG-CE 3.31Å; L51-M55 HydrophobicContact CD1-CB 3.85Å; L51-M55 HydrophobicContact CD1-CG 3.62Å; G52-M55 PolarHBondContact O-N 2.92Å; G52-M55 VanDerWaalsContact O-N 3.14Å; W53-M55 VanDerWaalsContact C-N 3.31Å; W53-M55 PolarHBondContact O-N 3.11Å; M55-H58 WeakPolarHBondContact O-CB 3.41Å; M55-H58 PolarHBondContact O-N 3.35Å; M55-I59 HydrophobicContact CG-CD1 4.06Å; M55-I59 WeakPolarHBondContact O-CG1 3.23Å; M55-I59 PolarHBondContact O-N 3.14Å; M55-I59 HydrophobicContact SD-CD1 4.2Å; M55-I59 HydrophobicContact SD-CG1 4.37Å
56W96.6Very high94.1Very high0 Ų048.1 Ų48.10%028%0.277CS..Hα-helixtrans-60.2-47173.8171.6-125.1000111.7M37 L51 G52 W53 H58 I59 A60 L64 A71 F75 F119 L123M37-W56 HydrophobicContact CE-CE3 3.85Å; M37-W56 HydrophobicContact CE-CZ3 3.88Å; M37-W56 HydrophobicContact SD-CE3 4.2Å; M37-W56 HydrophobicContact SD-CZ3 3.69Å; L51-W56 HydrophobicContact CD2-CB 4.07Å; L51-W56 HydrophobicContact CG-CB 4.33Å; G52-W56 PolarHBondContact O-N 3.17Å; W53-W56 AromaticContact CE3-CD1 3.69Å; W53-W56 AromaticContact CZ3-CD1 3.47Å; W53-W56 VanDerWaalsContact CZ3-CD1 3.47Å; W53-W56 PolarHBondContact O-N 2.78Å; W56-H58 VanDerWaalsContact C-N 3.31Å; W56-H58 PolarHBondContact O-N 3.02Å; W56-I59 HydrophobicContact CZ3-CG2 4.49Å; W56-I59 PolarHBondContact O-N 2.87Å; W56-I59 VanDerWaalsContact O-N 3.12Å; W56-A60 HydrophobicContact CD2-CB 4Å; W56-A60 HydrophobicContact CE3-CB 4.17Å; W56-A60 HydrophobicContact CH2-CB 3.99Å; W56-A60 HydrophobicContact CZ2-CB 3.79Å; W56-A60 HydrophobicContact CZ3-CB 4.16Å; W56-A60 WeakPolarHBondContact O-CB 3.44Å; W56-A60 PolarHBondContact O-N 3Å; W56-L64 HydrophobicContact CH2-CD1 4.09Å; W56-L64 HydrophobicContact CZ3-CD1 4.19Å; W56-A71 PolarHBondContact NE1-O 3.5Å; W56-F75 HydrophobicContact CB-CD2 4.03Å; W56-F75 HydrophobicContact CB-CE2 4.04Å; W56-F75 AromaticContact CD1-CD2 3.39Å; W56-F75 AromaticContact CD1-CG 3.89Å; W56-F75 AromaticContact CG-CD2 3.84Å; W56-F75 HydrophobicContact CG-CD2 3.84Å; W56-F75 HydrophobicContact CG-CE2 4.34Å; W56-F119 AromaticContact CD2-CE1 3.65Å; W56-F119 HydrophobicContact CD2-CE1 3.65Å; W56-F119 HydrophobicContact CD2-CZ 4.01Å; W56-F119 AromaticContact CE2-CE1 3.84Å; W56-F119 AromaticContact CE2-CZ 3.74Å; W56-F119 AromaticContact CE3-CE1 3.77Å; W56-F119 HydrophobicContact CE3-CE1 3.77Å; W56-F119 HydrophobicContact CG-CE1 4.12Å; W56-F119 HydrophobicContact CG-CZ 4.37Å; W56-F119 HydrophobicContact CH2-CE1 4.25Å; W56-F119 HydrophobicContact CZ2-CE1 4.15Å; W56-F119 HydrophobicContact CZ2-CZ 4.02Å; W56-F119 HydrophobicContact CZ3-CE1 4.08Å; W56-F119 AromaticContact NE1-CZ 3.95Å; W56-L123 HydrophobicContact CH2-CD1 3.56Å; W56-L123 HydrophobicContact CH2-CD2 4.03Å; W56-L123 HydrophobicContact CH2-CG 4.46Å; W56-L123 HydrophobicContact CZ2-CD1 4.33Å; W56-L123 HydrophobicContact CZ2-CD2 4.12Å; W56-L123 HydrophobicContact CZ3-CD1 3.76Å
57R96.1Very high94.3Very high64 Ų6448.3 Ų48.324%0.24226%0.263CS..Hα-helixtrans-55.8-45.1175.2-178.417267.8178.80.2111.5W53 I59 C61 E68 D106W53-R57 HydrophobicContact CD2-CB 4.38Å; W53-R57 HydrophobicContact CH2-CB 4.15Å; W53-R57 HydrophobicContact CH2-CG 4.46Å; W53-R57 HydrophobicContact CZ2-CB 4Å; W53-R57 HydrophobicContact CZ2-CG 4.16Å; W53-R57 HydrophobicContact CZ3-CB 4.43Å; W53-R57 WeakPolarHBondContact O-CB 3.37Å; W53-R57 PolarHBondContact O-N 3.37Å; R57-I59 PolarHBondContact O-N 2.96Å; R57-C61 VanDerWaalsContact O-CB 3.25Å; R57-C61 WeakPolarHBondContact O-CB 3.42Å; R57-C61 PolarHBondContact O-N 3.15Å; R57-C61 PolarHBondContact O-SG 2.75Å; R57-C61 VanDerWaalsContact O-SG 3.4Å; R57-E68 WeakPolarHBondContact CD-OE1 3.39Å; R57-E68 IonicContact CZ-OE1 3.8Å; R57-E68 IonicContact NE-OE1 3.84Å; R57-E68 IonicContact NH1-OE1 3.43Å; R57-E68 PolarHBondContact NH1-OE1 2.91Å; R57-D106 IonicContact NH1-OD2 3.39Å; R57-D106 PolarHBondContact NH1-OD2 3.07Å
58H95.3Very high94.5Very high90 Ų9051.5 Ų51.542%0.41728%0.276SS..Iπ-helixtrans-58.3-45.8176.2176.376.1000112.3L54 M55 W56 G62L54-H58 WeakPolarHBondContact O-CB 3.38Å; L54-H58 PolarHBondContact O-N 2.95Å; M55-H58 WeakPolarHBondContact O-CB 3.41Å; M55-H58 PolarHBondContact O-N 3.35Å; W56-H58 VanDerWaalsContact C-N 3.31Å; W56-H58 PolarHBondContact O-N 3.02Å; H58-G62 VanDerWaalsContact O-CA 3.27Å; H58-G62 WeakPolarHBondContact O-CA 3.3Å; H58-G62 PolarHBondContact O-N 2.83Å
59I96.4Very high94.5Very high5 Ų551.5 Ų51.53%0.02628%0.28CS..Iπ-helixtrans-70.2-50.9-179.8-64.2166.4000110.6M37 Y40 V41 M55 W56 R57 K63 L64M37-I59 HydrophobicContact CB-CG2 4.43Å; M37-I59 HydrophobicContact CG-CD1 4.28Å; M37-I59 HydrophobicContact CG-CG2 4.23Å; M37-I59 HydrophobicContact SD-CG2 4.4Å; Y40-I59 HydrophobicContact CD1-CD1 3.92Å; Y40-I59 HydrophobicContact CD1-CG1 4.13Å; Y40-I59 HydrophobicContact CE1-CD1 4.24Å; Y40-I59 HydrophobicContact CE1-CG1 4.14Å; V41-I59 HydrophobicContact CG2-CD1 3.58Å; M55-I59 HydrophobicContact CG-CD1 4.06Å; M55-I59 WeakPolarHBondContact O-CG1 3.23Å; M55-I59 PolarHBondContact O-N 3.14Å; M55-I59 HydrophobicContact SD-CD1 4.2Å; M55-I59 HydrophobicContact SD-CG1 4.37Å; W56-I59 HydrophobicContact CZ3-CG2 4.49Å; W56-I59 PolarHBondContact O-N 2.87Å; W56-I59 VanDerWaalsContact O-N 3.12Å; R57-I59 PolarHBondContact O-N 2.96Å; I59-K63 WeakPolarHBondContact O-CA 3.35Å; I59-K63 VanDerWaalsContact O-CB 3.27Å; I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 PolarHBondContact O-N 2.85Å; I59-L64 HydrophobicContact CG2-CG 4.45Å; I59-L64 PolarHBondContact O-N 2.89Å
60A96.2Very high94.5Very high0 Ų049.4 Ų49.40%026%0.264CS..Iπ-helixtrans-62.8-51.9-176.300000111.8W56 L64 Q65 L66 A71W56-A60 HydrophobicContact CD2-CB 4Å; W56-A60 HydrophobicContact CE3-CB 4.17Å; W56-A60 HydrophobicContact CH2-CB 3.99Å; W56-A60 HydrophobicContact CZ2-CB 3.79Å; W56-A60 HydrophobicContact CZ3-CB 4.16Å; W56-A60 WeakPolarHBondContact O-CB 3.44Å; W56-A60 PolarHBondContact O-N 3Å; A60-L64 CarbonylContact O-C 3.45Å; A60-L64 VanDerWaalsContact O-C 3.27Å; A60-L64 WeakPolarHBondContact O-CA 3.48Å; A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 PolarHBondContact O-N 3.41Å; A60-Q65 PolarHBondContact O-N 3.42Å; A60-L66 HydrophobicContact CB-CB 4.47Å; A60-L66 HydrophobicContact CB-CD1 4.2Å; A60-L66 PolarHBondContact O-N 2.99Å; A60-A71 HydrophobicContact CB-CB 3.53Å
61C95.6Very high94.5Very high42 Ų4245.6 Ų45.628%0.28425%0.245SC..Iπ-helixtrans-79.6-40.9-177.3-54.60000111.5R57 Q65R57-C61 VanDerWaalsContact O-CB 3.25Å; R57-C61 WeakPolarHBondContact O-CB 3.42Å; R57-C61 PolarHBondContact O-N 3.15Å; R57-C61 PolarHBondContact O-SG 2.75Å; R57-C61 VanDerWaalsContact O-SG 3.4Å; C61-Q65 VanDerWaalsContact O-CA 3.31Å; C61-Q65 WeakPolarHBondContact O-CA 3.42Å; C61-Q65 PolarHBondContact O-N 2.89Å
62G93.9Very high94.5Very high47 Ų4746.5 Ų46.549%0.48525%0.249SC..Iπ-helixtrans-80.5-44.6-175.200000114H58H58-G62 VanDerWaalsContact O-CA 3.27Å; H58-G62 WeakPolarHBondContact O-CA 3.3Å; H58-G62 PolarHBondContact O-N 2.83Å
63K91.6Very high94.5Very high129 Ų12945.5 Ų45.556%0.56124%0.238SC*.Iπ-helixtrans-98.8-44.3-174.2-53.7-60-176.8-175.50112.5I59I59-K63 WeakPolarHBondContact O-CA 3.35Å; I59-K63 VanDerWaalsContact O-CB 3.27Å; I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 PolarHBondContact O-N 2.85Å
64L92.6Very high94.5Very high5 Ų545.6 Ų45.63%0.02624%0.238CC..SBendtrans-86.4-11.3179-50.9-178.1000112.4K28 L29 Y33 W56 I59 A60 L66K28-L64 WeakPolarHBondContact CD-O 3.46Å; L29-L64 HydrophobicContact CD1-CD1 4.41Å; Y33-L64 HydrophobicContact CD1-CD2 3.83Å; Y33-L64 HydrophobicContact CG-CD2 3.9Å; W56-L64 HydrophobicContact CH2-CD1 4.09Å; W56-L64 HydrophobicContact CZ3-CD1 4.19Å; I59-L64 HydrophobicContact CG2-CG 4.45Å; I59-L64 PolarHBondContact O-N 2.89Å; A60-L64 CarbonylContact O-C 3.45Å; A60-L64 VanDerWaalsContact O-C 3.27Å; A60-L64 WeakPolarHBondContact O-CA 3.48Å; A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 PolarHBondContact O-N 3.41Å; L64-L66 HydrophobicContact CB-CD1 4.26Å; L64-L66 HydrophobicContact CB-CG 3.85Å; L64-L66 HydrophobicContact CD1-CD1 4.23Å; L64-L66 PolarHBondContact O-N 2.92Å
65Q92Very high94.6Very high134 Ų13441.2 Ų41.263%0.62622%0.215SC*.  trans52.935.2-178.5-57.2174.610.800112.8A60 C61A60-Q65 PolarHBondContact O-N 3.42Å; C61-Q65 VanDerWaalsContact O-CA 3.31Å; C61-Q65 WeakPolarHBondContact O-CA 3.42Å; C61-Q65 PolarHBondContact O-N 2.89Å
66L92.5Very high94.5Very high11 Ų1140.8 Ų40.86%0.05821%0.213CC..  trans-76.1143.3171.5-58.3-178.2000109.2P26 A60 L64 L70P26-L66 HydrophobicContact CB-CD2 3.67Å; P26-L66 HydrophobicContact CG-CD2 3.72Å; A60-L66 HydrophobicContact CB-CB 4.47Å; A60-L66 HydrophobicContact CB-CD1 4.2Å; A60-L66 PolarHBondContact O-N 2.99Å; L64-L66 HydrophobicContact CB-CD1 4.26Å; L64-L66 HydrophobicContact CB-CG 3.85Å; L64-L66 HydrophobicContact CD1-CD1 4.23Å; L64-L66 PolarHBondContact O-N 2.92Å; L66-L70 HydrophobicContact CD2-CD2 4.45Å
67P92.8Very high94.4Very high84 Ų8440.9 Ų40.955%0.54521%0.213SC..  trans-55.3142.8165.5-23.233.7000110.7D69 L70 A71P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.84Å; P67-L70 HydrophobicContact CB-CB 4.3Å; P67-L70 PolarHBondContact O-N 3.36Å; P67-A71 PolarHBondContact O-N 3.19Å
68E93.8Very high94.4Very high82 Ų8238.3 Ų38.338%0.38320%0.204SC..Hα-helixtrans-59.6-40.3-178.1-176.2167.8-17400112.1W53 R57 L70 A71 W72W53-E68 HydrophobicContact CZ2-CG 4.29Å; R57-E68 WeakPolarHBondContact CD-OE1 3.39Å; R57-E68 IonicContact CZ-OE1 3.8Å; R57-E68 IonicContact NE-OE1 3.84Å; R57-E68 IonicContact NH1-OE1 3.43Å; R57-E68 PolarHBondContact NH1-OE1 2.91Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.17Å; E68-A71 WeakPolarHBondContact O-CB 3.3Å; E68-A71 PolarHBondContact O-N 3.39Å; E68-A71 VanDerWaalsContact O-N 3.17Å; E68-W72 WeakPolarHBondContact O-CB 3.37Å; E68-W72 PolarHBondContact O-N 2.75Å
69D92.9Very high94.2Very high73 Ų7335.2 Ų35.239%0.3919%0.19SC..Hα-helixtrans-58.3-39.4174.6-80.1-12.8000112.4P67 L73 R403 L445P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.84Å; D69-L73 VanDerWaalsContact O-CB 3.31Å; D69-L73 WeakPolarHBondContact O-CB 3.19Å; D69-L73 PolarHBondContact O-N 3.41Å; D69-R403 VanDerWaalsContact CG-NH1 3.33Å; D69-R403 IonicContact OD1-NH1 2.77Å; D69-R403 IonicContact OD2-CZ 3.82Å; D69-R403 IonicContact OD2-NH1 3.09Å; D69-R403 PolarHBondContact OD2-NH1 3.39Å; D69-L445 HydrophobicContact CB-CD1 3.87Å; D69-L445 HydrophobicContact CB-CD2 4.27Å
70L93.3Very high93.9Very high31 Ų3137 Ų3716%0.16220%0.2CC..Hα-helixtrans-74-37177.5-17859.6000111.5P26 L66 P67 E68 L73 Y74P26-L70 HydrophobicContact CG-CD2 3.73Å; L66-L70 HydrophobicContact CD2-CD2 4.45Å; P67-L70 HydrophobicContact CB-CB 4.3Å; P67-L70 PolarHBondContact O-N 3.36Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.17Å; L70-L73 HydrophobicContact CD1-CD2 4.05Å; L70-L73 PolarHBondContact O-N 3.07Å; L70-Y74 HydrophobicContact CD1-CD2 4.34Å; L70-Y74 HydrophobicContact CD1-CE2 3.81Å; L70-Y74 HydrophobicContact CD2-CE2 4.34Å; L70-Y74 HydrophobicContact CG-CD2 4.26Å; L70-Y74 HydrophobicContact CG-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.42Å; L70-Y74 PolarHBondContact O-N 3.17Å; L70-Y74 VanDerWaalsContact O-N 3.11Å
71A95.4Very high93.6Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-62.4-45173.600000111.1W53 W56 A60 P67 E68 Y74 F75W53-A71 HydrophobicContact CH2-CB 4.2Å; W53-A71 HydrophobicContact CZ3-CB 4.39Å; W56-A71 PolarHBondContact NE1-O 3.5Å; A60-A71 HydrophobicContact CB-CB 3.53Å; P67-A71 PolarHBondContact O-N 3.19Å; E68-A71 WeakPolarHBondContact O-CB 3.3Å; E68-A71 PolarHBondContact O-N 3.39Å; E68-A71 VanDerWaalsContact O-N 3.17Å; A71-Y74 PolarHBondContact O-N 2.84Å; A71-F75 PolarHBondContact O-N 2.85Å
72W95.9Very high93Very high20 Ų2038.3 Ų38.38%0.07621%0.209CC..Hα-helixtrans-62.2-45.3174.6179.9-105.2000110.8W53 E68 Y74 F75 E76 R109 L112W53-W72 AromaticContact CD2-CE3 3.59Å; W53-W72 HydrophobicContact CD2-CE3 3.59Å; W53-W72 AromaticContact CD2-CZ3 3.71Å; W53-W72 HydrophobicContact CD2-CZ3 3.71Å; W53-W72 AromaticContact CE2-CE3 3.63Å; W53-W72 AromaticContact CE3-CE3 3.58Å; W53-W72 HydrophobicContact CE3-CE3 3.58Å; W53-W72 AromaticContact CE3-CZ3 3.95Å; W53-W72 HydrophobicContact CE3-CZ3 3.95Å; W53-W72 HydrophobicContact CG-CE3 4.32Å; W53-W72 AromaticContact CG-CZ3 3.96Å; W53-W72 HydrophobicContact CG-CZ3 3.96Å; W53-W72 VanDerWaalsContact CH2-CA 3.48Å; W53-W72 HydrophobicContact CH2-CB 3.65Å; W53-W72 HydrophobicContact CH2-CD2 4.44Å; W53-W72 AromaticContact CH2-CE3 3.77Å; W53-W72 HydrophobicContact CH2-CE3 3.77Å; W53-W72 HydrophobicContact CH2-CG 4.46Å; W53-W72 HydrophobicContact CZ2-CB 4.23Å; W53-W72 AromaticContact CZ2-CE3 3.74Å; W53-W72 HydrophobicContact CZ2-CE3 3.74Å; W53-W72 HydrophobicContact CZ3-CB 4.15Å; W53-W72 AromaticContact CZ3-CE3 3.68Å; W53-W72 HydrophobicContact CZ3-CE3 3.68Å; W53-W72 HydrophobicContact CZ3-CZ3 4.49Å; E68-W72 WeakPolarHBondContact O-CB 3.37Å; E68-W72 PolarHBondContact O-N 2.75Å; W72-Y74 VanDerWaalsContact C-N 3.32Å; W72-Y74 PolarHBondContact O-N 3.04Å; W72-F75 HydrophobicContact CZ3-CD1 4.18Å; W72-F75 PolarHBondContact O-N 3Å; W72-E76 HydrophobicContact CZ2-CB 4.34Å; W72-E76 PolarHBondContact NE1-OE1 3.4Å; W72-E76 WeakPolarHBondContact O-CB 3.36Å; W72-E76 PolarHBondContact O-N 3.36Å; W72-R109 HydrophobicContact CE3-CB 4.45Å; W72-R109 HydrophobicContact CE3-CG 4.31Å; W72-R109 HydrophobicContact CH2-CB 3.61Å; W72-R109 HydrophobicContact CH2-CG 3.28Å; W72-R109 HydrophobicContact CZ2-CB 4.5Å; W72-R109 HydrophobicContact CZ2-CG 3.7Å; W72-R109 HydrophobicContact CZ3-CB 3.59Å; W72-R109 HydrophobicContact CZ3-CG 3.64Å; W72-L112 HydrophobicContact CH2-CD1 3.61Å; W72-L112 HydrophobicContact CZ2-CD1 4.44Å; W72-L112 HydrophobicContact CZ3-CD1 4.35Å
73L95.4Very high92.3Very high3 Ų339.1 Ų39.12%0.01622%0.217CC..Hα-helixtrans-52.9-48.3176.9173.258.6000111.7L21 D69 L70 F75 T77 L405 L445 V447L21-L73 HydrophobicContact CD1-CD2 3.81Å; L21-L73 HydrophobicContact CD1-CG 4.25Å; D69-L73 VanDerWaalsContact O-CB 3.31Å; D69-L73 WeakPolarHBondContact O-CB 3.19Å; D69-L73 PolarHBondContact O-N 3.41Å; L70-L73 HydrophobicContact CD1-CD2 4.05Å; L70-L73 PolarHBondContact O-N 3.07Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 2.96Å; L73-T77 VanDerWaalsContact O-CB 3.23Å; L73-T77 WeakPolarHBondContact O-CB 3.42Å; L73-T77 PolarHBondContact O-N 3.33Å; L73-T77 PolarHBondContact O-OG1 3.33Å; L73-L405 HydrophobicContact CD1-CD1 3.74Å; L73-L405 HydrophobicContact CD1-CD2 3.88Å; L73-L405 HydrophobicContact CD1-CG 4.43Å; L73-L405 HydrophobicContact CD2-CD1 4.14Å; L73-L405 HydrophobicContact CD2-CD2 4.06Å; L73-L445 HydrophobicContact CD2-CD2 4.35Å; L73-V447 HydrophobicContact CD2-CG2 4.2Å
74Y95.8Very high92.2Very high3 Ų335.6 Ų35.61%0.01220%0.203CC..Hα-helixtrans-61.5-41.6177.3-76.3-58.5000112.7L21 P26 L29 L70 A71 W72 F78 F122 L123 Q126L21-Y74 HydrophobicContact CD1-CD1 4.32Å; L21-Y74 HydrophobicContact CD1-CE1 3.71Å; L21-Y74 HydrophobicContact CG-CE1 4.34Å; P26-Y74 VanDerWaalsContact CD-OH 3.28Å; P26-Y74 WeakPolarHBondContact CD-OH 3.45Å; L29-Y74 HydrophobicContact CD2-CE1 4.5Å; L70-Y74 HydrophobicContact CD1-CD2 4.34Å; L70-Y74 HydrophobicContact CD1-CE2 3.81Å; L70-Y74 HydrophobicContact CD2-CE2 4.34Å; L70-Y74 HydrophobicContact CG-CD2 4.26Å; L70-Y74 HydrophobicContact CG-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.42Å; L70-Y74 PolarHBondContact O-N 3.17Å; L70-Y74 VanDerWaalsContact O-N 3.11Å; A71-Y74 PolarHBondContact O-N 2.84Å; W72-Y74 VanDerWaalsContact C-N 3.32Å; W72-Y74 PolarHBondContact O-N 3.04Å; Y74-F78 PolarHBondContact O-N 2.69Å; Y74-F78 VanDerWaalsContact O-N 3.1Å; Y74-F122 AromaticContact CD1-CE1 4Å; Y74-F122 HydrophobicContact CD1-CE1 4Å; Y74-F122 HydrophobicContact CD1-CZ 4.23Å; Y74-F122 VanDerWaalsContact O-CE1 3.22Å; Y74-F122 WeakPolarHBondContact O-CE1 3.31Å; Y74-L123 HydrophobicContact CD1-CD2 4.2Å; Y74-L123 HydrophobicContact CG-CD2 4Å; Y74-Q126 HydrophobicContact CD1-CG 4.32Å; Y74-Q126 HydrophobicContact CE1-CG 3.71Å
75F95.7Very high92.3Very high0 Ų038.1 Ų38.10%022%0.219CC..Hα-helixtrans-67.3-49.1-178.8-156.5-99.3000111.7W53 W56 A71 W72 L73 T77 F78 D79 L112 V114 F119W53-F75 HydrophobicContact CB-CD1 4.43Å; W53-F75 HydrophobicContact CB-CE1 3.96Å; W53-F75 HydrophobicContact CB-CZ 4.23Å; W53-F75 HydrophobicContact CE3-CB 4.03Å; W53-F75 HydrophobicContact CE3-CD1 4.07Å; W53-F75 HydrophobicContact CE3-CD2 4.36Å; W53-F75 AromaticContact CE3-CG 3.9Å; W53-F75 HydrophobicContact CE3-CG 3.9Å; W53-F75 HydrophobicContact CZ3-CB 4.09Å; W53-F75 HydrophobicContact CZ3-CG 4.45Å; W56-F75 HydrophobicContact CB-CD2 4.03Å; W56-F75 HydrophobicContact CB-CE2 4.04Å; W56-F75 AromaticContact CD1-CD2 3.39Å; W56-F75 AromaticContact CD1-CG 3.89Å; W56-F75 AromaticContact CG-CD2 3.84Å; W56-F75 HydrophobicContact CG-CD2 3.84Å; W56-F75 HydrophobicContact CG-CE2 4.34Å; A71-F75 PolarHBondContact O-N 2.85Å; W72-F75 HydrophobicContact CZ3-CD1 4.18Å; W72-F75 PolarHBondContact O-N 3Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 2.96Å; F75-T77 VanDerWaalsContact C-N 3.34Å; F75-T77 PolarHBondContact O-N 3.29Å; F75-F78 PolarHBondContact O-N 3.36Å; F75-D79 PolarHBondContact O-N 2.88Å; F75-L112 HydrophobicContact CE1-CB 3.68Å; F75-V114 HydrophobicContact CD2-CG1 4.46Å; F75-V114 HydrophobicContact CD2-CG2 4.33Å; F75-V114 HydrophobicContact CE1-CG1 4.14Å; F75-V114 HydrophobicContact CE2-CB 4.38Å; F75-V114 HydrophobicContact CE2-CG1 3.91Å; F75-V114 HydrophobicContact CE2-CG2 3.57Å; F75-V114 HydrophobicContact CZ-CB 4.44Å; F75-V114 HydrophobicContact CZ-CG1 3.72Å; F75-V114 HydrophobicContact CZ-CG2 4.04Å; F75-F119 HydrophobicContact CD2-CE1 4.37Å; F75-F119 HydrophobicContact CD2-CE2 4.28Å; F75-F119 AromaticContact CD2-CZ 3.95Å; F75-F119 HydrophobicContact CD2-CZ 3.95Å
76E94.2Very high92.5Very high34 Ų3432.6 Ų32.616%0.15920%0.196CC..Hα-helixtrans-64.1-37176-173.6-166.5-97.800111.8W72 F78 D79 L80 R385 T402W72-E76 HydrophobicContact CZ2-CB 4.34Å; W72-E76 PolarHBondContact NE1-OE1 3.4Å; W72-E76 WeakPolarHBondContact O-CB 3.36Å; W72-E76 PolarHBondContact O-N 3.36Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 3.15Å; E76-D79 PolarHBondContact O-N 3.24Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.9Å; E76-R385 IonicContact OE2-CZ 3.83Å; E76-R385 IonicContact OE2-NE 3.71Å; E76-R385 IonicContact OE2-NH2 3.32Å; E76-R385 PolarHBondContact OE2-NH2 2.68Å; E76-T402 VanDerWaalsContact CD-CG2 3.44Å; E76-T402 HydrophobicContact CG-CG2 4.3Å; E76-T402 WeakPolarHBondContact OE2-CG2 3.22Å
77T95Very high92.7Very high1 Ų138.6 Ų38.61%0.00622%0.224CC..Hα-helixtrans-60.6-44.7173.8-56.80000111.2L73 F75 L80 L81 F122 R385L73-T77 VanDerWaalsContact O-CB 3.23Å; L73-T77 WeakPolarHBondContact O-CB 3.42Å; L73-T77 PolarHBondContact O-N 3.33Å; L73-T77 PolarHBondContact O-OG1 3.33Å; F75-T77 VanDerWaalsContact C-N 3.34Å; F75-T77 PolarHBondContact O-N 3.29Å; T77-L80 PolarHBondContact O-N 3.4Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.88Å; T77-F122 HydrophobicContact CG2-CE2 3.83Å; T77-F122 HydrophobicContact CG2-CZ 3.68Å; T77-R385 VanDerWaalsContact CA-NH2 3.34Å; T77-R385 VanDerWaalsContact CB-NH1 3.31Å; T77-R385 VanDerWaalsContact CG2-NH1 3.34Å; T77-R385 VanDerWaalsContact N-NH2 3.18Å; T77-R385 PolarHBondContact OG1-NH1 3.22Å; T77-R385 PolarHBondContact OG1-NH2 3.47Å
78F95.6Very high92.8Very high11 Ų1139.5 Ų39.55%0.04822%0.221CC..Hα-helixtrans-68.3-39.7-179.9-176-98000111.6Y74 F75 E76 L80 L81 A82 V114 Q118 F119 F122 L213Y74-F78 PolarHBondContact O-N 2.69Å; Y74-F78 VanDerWaalsContact O-N 3.1Å; F75-F78 PolarHBondContact O-N 3.36Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 3.15Å; F78-L80 VanDerWaalsContact C-N 3.34Å; F78-L80 PolarHBondContact O-N 3.41Å; F78-L81 WeakPolarHBondContact O-CB 3.35Å; F78-L81 PolarHBondContact O-N 3.24Å; F78-A82 PolarHBondContact O-N 3.44Å; F78-V114 HydrophobicContact CD1-CB 3.74Å; F78-V114 HydrophobicContact CD1-CG1 3.58Å; F78-V114 HydrophobicContact CD1-CG2 4.48Å; F78-V114 HydrophobicContact CE1-CB 3.73Å; F78-V114 HydrophobicContact CE1-CG1 4.02Å; F78-Q118 HydrophobicContact CE2-CB 4.09Å; F78-Q118 HydrophobicContact CZ-CB 3.57Å; F78-F119 HydrophobicContact CB-CD2 3.8Å; F78-F119 HydrophobicContact CB-CE2 3.91Å; F78-F119 AromaticContact CD1-CD2 3.96Å; F78-F119 HydrophobicContact CD1-CD2 3.96Å; F78-F119 HydrophobicContact CD2-CD2 4.16Å; F78-F119 AromaticContact CG-CD2 3.68Å; F78-F119 HydrophobicContact CG-CD2 3.68Å; F78-F119 HydrophobicContact CG-CE2 4.31Å; F78-F122 HydrophobicContact CB-CD1 3.96Å; F78-F122 HydrophobicContact CB-CD2 4.5Å; F78-F122 HydrophobicContact CB-CE1 4.01Å; F78-F122 HydrophobicContact CB-CG 4.22Å; F78-F122 HydrophobicContact CB-CZ 4.31Å; F78-F122 HydrophobicContact CD2-CB 3.47Å; F78-F122 VanDerWaalsContact CD2-CB 3.47Å; F78-F122 AromaticContact CD2-CD1 3.95Å; F78-F122 HydrophobicContact CD2-CD1 3.95Å; F78-F122 AromaticContact CD2-CD2 3.85Å; F78-F122 HydrophobicContact CD2-CD2 3.85Å; F78-F122 AromaticContact CD2-CG 3.46Å; F78-F122 HydrophobicContact CD2-CG 3.46Å; F78-F122 VanDerWaalsContact CD2-CG 3.46Å; F78-F122 HydrophobicContact CE2-CB 3.79Å; F78-F122 HydrophobicContact CE2-CG 4.28Å; F78-F122 HydrophobicContact CG-CD1 4.3Å; F78-F122 HydrophobicContact CG-CG 4.24Å; F78-L213 HydrophobicContact CE2-CD1 4.19Å; F78-L213 HydrophobicContact CE2-CD2 3.98Å
79D92.4Very high92.9Very high25 Ų2537.7 Ų37.713%0.13421%0.211CC..Hα-helixtrans-61.4-40.5174.9-171.764.1000112.2F75 E76 L81 A82 H84F75-D79 PolarHBondContact O-N 2.88Å; E76-D79 PolarHBondContact O-N 3.24Å; D79-L81 PolarHBondContact O-N 3.39Å; D79-L81 VanDerWaalsContact O-N 3.13Å; D79-A82 VanDerWaalsContact O-CB 3.31Å; D79-A82 WeakPolarHBondContact O-CB 3.32Å; D79-A82 PolarHBondContact O-N 3.44Å; D79-H84 IonicContact OD1-CD2 2.72Å; D79-H84 IonicContact OD1-CE1 3.04Å; D79-H84 IonicContact OD1-NE2 2.89Å; D79-H84 PolarHBondContact OD1-NE2 3.18Å; D79-H84 IonicContact OD2-NE2 3.43Å
80L89.8Confident93.1Very high43 Ų4336.9 Ų36.923%0.22521%0.206CC..THydrogen-bonded Turntrans-61.8-19.6172.4-76170.7000114.1E76 T77 F78 R385E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.9Å; T77-L80 PolarHBondContact O-N 3.4Å; F78-L80 VanDerWaalsContact C-N 3.34Å; F78-L80 PolarHBondContact O-N 3.41Å; L80-R385 HydrophobicContact CD1-CB 4.28Å
81L89.9Confident93.2Very high30 Ų3041 Ų4116%0.15722%0.224CC..THydrogen-bonded Turntrans-87.2-24.1173.2-59.4172.6000112.5L18 T77 F78 D79 G83 F122L18-L81 HydrophobicContact CB-CD2 3.53Å; L18-L81 HydrophobicContact CD1-CD2 4.37Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.88Å; F78-L81 WeakPolarHBondContact O-CB 3.35Å; F78-L81 PolarHBondContact O-N 3.24Å; D79-L81 PolarHBondContact O-N 3.39Å; D79-L81 VanDerWaalsContact O-N 3.13Å; L81-G83 PolarHBondContact O-N 3.03Å; L81-G83 VanDerWaalsContact O-N 3.14Å; L81-F122 HydrophobicContact CD1-CD2 3.97Å; L81-F122 HydrophobicContact CD1-CE2 4.03Å
82A82.1Confident93.2Very high39 Ų3944 Ų4432%0.32224%0.236SC..SBendtrans-67.4110.9171.300000106.1F78 D79 H84F78-A82 PolarHBondContact O-N 3.44Å; D79-A82 VanDerWaalsContact O-CB 3.31Å; D79-A82 WeakPolarHBondContact O-CB 3.32Å; D79-A82 PolarHBondContact O-N 3.44Å; A82-H84 PolarHBondContact O-CD2 3.34Å; A82-H84 PolarHBondContact O-N 3.05Å
83G79.4Confident93.1Very high63 Ų6343.4 Ų43.465%0.64924%0.235SC*.  trans-71.163.6-171.800000112.9L81L81-G83 PolarHBondContact O-N 3.03Å; L81-G83 VanDerWaalsContact O-N 3.14Å
84H90.3Very high93.1Very high56 Ų5648.7 Ų48.726%0.25926%0.26SS..  trans-61.4139.1177.7-61.4-54.4000109.9D79 A82 E88 R89D79-H84 IonicContact OD1-CD2 2.72Å; D79-H84 IonicContact OD1-CE1 3.04Å; D79-H84 IonicContact OD1-NE2 2.89Å; D79-H84 PolarHBondContact OD1-NE2 3.18Å; D79-H84 IonicContact OD2-NE2 3.43Å; A82-H84 PolarHBondContact O-CD2 3.34Å; A82-H84 PolarHBondContact O-N 3.05Å; H84-E88 IonicContact ND1-OE2 3.43Å; H84-R89 HydrophobicContact CB-CG 3.98Å; H84-R89 PolarHBondContact O-NE 2.84Å; H84-R89 PolarHBondContact O-NH2 2.9Å
85P94.4Very high93.1Very high58 Ų5850.6 Ų50.638%0.37727%0.27SS..  trans-51.9157.4171.3-23.733.1000112.1E87 E88 R89P85-E87 WeakPolarHBondContact CB-OE2 3.37Å; P85-E87 PolarHBondContact O-N 3.28Å; P85-E88 HydrophobicContact CB-CG 4.49Å; P85-E88 HydrophobicContact CG-CG 4.37Å; P85-E88 PolarHBondContact O-N 3.37Å; P85-R89 PolarHBondContact O-N 3.45Å; P85-R89 PolarHBondContact O-NE 3.06Å
86A95.6Very high93Very high17 Ų1752 Ų5214%0.1428%0.278CS..Hα-helixtrans-62.6-37179.700000111.1R89 L90 A430 G433A86-R89 PolarHBondContact O-N 2.84Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 3.3Å; A86-A430 WeakPolarHBondContact CB-O 3.46Å; A86-G433 WeakPolarHBondContact O-CA 3.35Å
87E97Very high92.9Very high138 Ų13853 Ų5365%0.64529%0.288SS*.Hα-helixtrans-61.9-47.1-179.3-57.880.1-17600111.8P85 R89 L90 E91P85-E87 WeakPolarHBondContact CB-OE2 3.37Å; P85-E87 PolarHBondContact O-N 3.28Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 2.89Å; E87-L90 PolarHBondContact O-N 2.97Å; E87-E91 PolarHBondContact O-N 3.3Å
88E95.6Very high92.7Very high102 Ų10258.6 Ų58.648%0.47731%0.314SS..Hα-helixtrans-63.3-35.2178.4-69.2-177.8-154.900111.7H84 P85 W92H84-E88 IonicContact ND1-OE2 3.43Å; P85-E88 HydrophobicContact CB-CG 4.49Å; P85-E88 HydrophobicContact CG-CG 4.37Å; P85-E88 PolarHBondContact O-N 3.37Å; E88-W92 WeakPolarHBondContact O-CB 3.48Å; E88-W92 PolarHBondContact O-N 3.17Å
89R95.1Very high92.6Very high45 Ų4559.1 Ų59.117%0.1732%0.319CS..Hα-helixtrans-71.8-36.3177.1-71.8-177.1-79.2156.7-11.8112.6H84 P85 A86 E87 W92 A93 E366 V432 G433H84-R89 HydrophobicContact CB-CG 3.98Å; H84-R89 PolarHBondContact O-NE 2.84Å; H84-R89 PolarHBondContact O-NH2 2.9Å; P85-R89 PolarHBondContact O-N 3.45Å; P85-R89 PolarHBondContact O-NE 3.06Å; A86-R89 PolarHBondContact O-N 2.84Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 2.89Å; R89-W92 PolarHBondContact O-N 3.19Å; R89-A93 WeakPolarHBondContact O-CB 3.41Å; R89-A93 PolarHBondContact O-N 3.22Å; R89-E366 IonicContact CZ-OE1 3.96Å; R89-E366 IonicContact NH1-OE1 3.83Å; R89-E366 IonicContact NH2-OE1 3.77Å; R89-E366 PolarHBondContact NH2-OE1 3.5Å; R89-V432 VanDerWaalsContact CZ-O 3.25Å; R89-V432 PolarHBondContact NH1-O 2.92Å; R89-G433 WeakPolarHBondContact CB-O 3.47Å
90L96.8Very high92.4Very high56 Ų5663.5 Ų63.529%0.29335%0.352SS..Hα-helixtrans-67.5-43.7173-67.9170.9000111.2A86 E87 W92 A93 E94 A435A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 3.3Å; E87-L90 PolarHBondContact O-N 2.97Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 3.03Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-E94 PolarHBondContact O-N 3.04Å; L90-A435 HydrophobicContact CD2-CB 3.96Å
91E96.1Very high92.5Very high116 Ų11663.4 Ų63.454%0.54235%0.354SS..Hα-helixtrans-60.4-42174.4-174.2-174.5174.800110.9E87 E94 N95E87-E91 PolarHBondContact O-N 3.3Å; E91-E94 PolarHBondContact O-N 3.17Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 2.76Å; E91-N95 PolarHBondContact O-ND2 3.29Å
92W94.3Very high92.5Very high64 Ų6467 Ų6724%0.24238%0.38CS..Hα-helixtrans-61.7-45174.2178.4-105.5000112.2E88 R89 L90 E94 N95 L96 Q108 L112E88-W92 WeakPolarHBondContact O-CB 3.48Å; E88-W92 PolarHBondContact O-N 3.17Å; R89-W92 PolarHBondContact O-N 3.19Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 3.03Å; W92-E94 VanDerWaalsContact C-N 3.35Å; W92-E94 PolarHBondContact O-N 3.25Å; W92-N95 PolarHBondContact O-N 2.89Å; W92-L96 HydrophobicContact CD2-CG 4.46Å; W92-L96 HydrophobicContact CZ2-CD1 4.19Å; W92-L96 HydrophobicContact CZ2-CD2 4.03Å; W92-L96 HydrophobicContact CZ2-CG 4.28Å; W92-L96 VanDerWaalsContact NE1-CD1 3.27Å; W92-L96 WeakPolarHBondContact O-CG 3.49Å; W92-L96 PolarHBondContact O-N 3.45Å; W92-Q108 HydrophobicContact CH2-CB 4.16Å; W92-Q108 WeakPolarHBondContact CH2-O 3.39Å; W92-Q108 HydrophobicContact CZ3-CB 4.45Å; W92-L112 HydrophobicContact CE3-CD2 4.39Å; W92-L112 HydrophobicContact CH2-CD1 3.93Å; W92-L112 HydrophobicContact CH2-CD2 3.82Å; W92-L112 HydrophobicContact CH2-CG 3.63Å; W92-L112 HydrophobicContact CZ2-CD1 3.81Å; W92-L112 HydrophobicContact CZ2-CD2 4.18Å; W92-L112 HydrophobicContact CZ2-CG 4.03Å; W92-L112 HydrophobicContact CZ3-CD2 3.93Å; W92-L112 HydrophobicContact CZ3-CG 4.2Å
93A95Very high92.9Very high8 Ų875.6 Ų75.67%0.06640%0.404CS..Hα-helixtrans-62.4-40.8177.300000112.2R89 L90 L96 S97 A435 P438R89-A93 WeakPolarHBondContact O-CB 3.41Å; R89-A93 PolarHBondContact O-N 3.22Å; L90-A93 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 3.08Å; A93-S97 WeakPolarHBondContact O-CB 3.47Å; A93-S97 PolarHBondContact O-N 3.15Å; A93-A435 HydrophobicContact CB-CB 3.92Å; A93-P438 WeakPolarHBondContact O-CD 3.37Å
94E95.4Very high93.5Very high114 Ų11475.8 Ų75.853%0.53339%0.388SS..Hα-helixtrans-61.6-47.2174-175.3178.2-173.700111.5L90 E91 W92 L96 S97 Q98L90-E94 PolarHBondContact O-N 3.04Å; E91-E94 PolarHBondContact O-N 3.17Å; W92-E94 VanDerWaalsContact C-N 3.35Å; W92-E94 PolarHBondContact O-N 3.25Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.13Å; E94-S97 PolarHBondContact O-N 2.76Å; E94-S97 PolarHBondContact O-OG 3.22Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.05Å
95N95Very high93.4Very high42 Ų4276 Ų7623%0.22539%0.39CS..Hα-helixtrans-60.4-36.9176.7-80.4-62.5000112.7E91 W92 C99E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 2.76Å; E91-N95 PolarHBondContact O-ND2 3.29Å; W92-N95 PolarHBondContact O-N 2.89Å; N95-C99 PolarHBondContact O-SG 3.46Å
96L93.4Very high93.2Very high31 Ų3175.4 Ų75.416%0.16238%0.384CS..Hα-helixtrans-72.7-37.5176-71.2-175.7000112.4W92 A93 E94 Q98 C99 L105 Q108 P438W92-L96 HydrophobicContact CD2-CG 4.46Å; W92-L96 HydrophobicContact CZ2-CD1 4.19Å; W92-L96 HydrophobicContact CZ2-CD2 4.03Å; W92-L96 HydrophobicContact CZ2-CG 4.28Å; W92-L96 VanDerWaalsContact NE1-CD1 3.27Å; W92-L96 WeakPolarHBondContact O-CG 3.49Å; W92-L96 PolarHBondContact O-N 3.45Å; A93-L96 PolarHBondContact O-N 3.08Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.13Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 3.1Å; L96-C99 WeakPolarHBondContact O-CB 3.48Å; L96-C99 PolarHBondContact O-N 3.42Å; L96-C99 VanDerWaalsContact O-N 3.12Å; L96-L105 HydrophobicContact CD2-CD2 3.98Å; L96-Q108 HydrophobicContact CD2-CB 3.89Å; L96-Q108 HydrophobicContact CD2-CG 4.32Å; L96-P438 HydrophobicContact CB-CG 4.11Å; L96-P438 HydrophobicContact CD1-CG 4.27Å
97S91.8Very high93.1Very high54 Ų5482.2 Ų82.238%0.37841%0.406SS..Hα-helixtrans-67.8-28-179.376.70000112.8A93 E94 C99A93-S97 WeakPolarHBondContact O-CB 3.47Å; A93-S97 PolarHBondContact O-N 3.15Å; E94-S97 PolarHBondContact O-N 2.76Å; E94-S97 PolarHBondContact O-OG 3.22Å; S97-C99 VanDerWaalsContact C-N 3.27Å; S97-C99 PolarHBondContact O-N 2.81Å
98Q92.8Very high92.9Very high119 Ų11976.3 Ų76.356%0.55638%0.378SS*.THydrogen-bonded Turntrans-75.4-12.4174.4-66.4174.59.600113.6E94 L96 S100E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.05Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 3.1Å; Q98-S100 PolarHBondContact O-N 3.1Å
99C92.4Very high92.7Very high22 Ų2274.4 Ų74.415%0.14937%0.367CS..  trans-76118.5179.6-65.80000110.8N95 L96 S97 E104 L105 Q108N95-C99 PolarHBondContact O-SG 3.46Å; L96-C99 WeakPolarHBondContact O-CB 3.48Å; L96-C99 PolarHBondContact O-N 3.42Å; L96-C99 VanDerWaalsContact O-N 3.12Å; S97-C99 VanDerWaalsContact C-N 3.27Å; S97-C99 PolarHBondContact O-N 2.81Å; C99-E104 HydrophobicContact CB-CB 4.01Å; C99-L105 HydrophobicContact CB-CD2 3.48Å; C99-L105 VanDerWaalsContact CB-CD2 3.48Å; C99-L105 HydrophobicContact CB-CG 3.74Å; C99-Q108 WeakPolarHBondContact SG-CG 3.29Å
100S89.4Confident92.5Very high117 Ų11774.2 Ų74.282%0.81837%0.373SS*.  trans-99-12-178.7-60.60000112.9Q98 E104Q98-S100 PolarHBondContact O-N 3.1Å; S100-E104 PolarHBondContact N-OE2 3.02Å
101S91.7Very high92.3Very high40 Ų4077.8 Ų77.828%0.2839%0.386SS..SBendtrans-132.6153.4-179.170.40000113.5R103 E104 L105S101-R103 PolarHBondContact O-N 3.02Å; S101-R103 VanDerWaalsContact O-N 3.15Å; S101-E104 PolarHBondContact N-OE2 3.31Å; S101-E104 VanDerWaalsContact N-OE2 3.14Å; S101-E104 PolarHBondContact O-N 2.85Å; S101-E104 WeakPolarHBondContact OG-CG 3.44Å; S101-E104 PolarHBondContact OG-N 2.89Å; S101-E104 PolarHBondContact OG-OE2 3.24Å; S101-L105 PolarHBondContact O-N 3.14Å; S101-L105 VanDerWaalsContact O-N 3.11Å
102P88.3Confident92.1Very high106 Ų10673.4 Ų73.469%0.68837%0.366SS*.Hα-helixtrans-56-30.9173.4-26.835000113.7D106P102-D106 WeakPolarHBondContact O-CB 3.44Å; P102-D106 PolarHBondContact O-N 3.06Å
103R90.4Very high92.2Very high220 Ų22073.4 Ų73.483%0.8338%0.375SS*.Hα-helixtrans-68.7-38.2177.4-68.5-176.9177.8179.7-0112.4S101 R107S101-R103 PolarHBondContact O-N 3.02Å; S101-R103 VanDerWaalsContact O-N 3.15Å; R103-R107 WeakPolarHBondContact O-CB 3.46Å; R103-R107 PolarHBondContact O-N 3.27Å
104E92.6Very high92.2Very high67 Ų6773.3 Ų73.331%0.31337%0.374SS..Hα-helixtrans-69.8-41.7176.2-73.6166.7164.300111.2C99 S100 S101 D106 R107 Q108C99-E104 HydrophobicContact CB-CB 4.01Å; S100-E104 PolarHBondContact N-OE2 3.02Å; S101-E104 PolarHBondContact N-OE2 3.31Å; S101-E104 VanDerWaalsContact N-OE2 3.14Å; S101-E104 PolarHBondContact O-N 2.85Å; S101-E104 WeakPolarHBondContact OG-CG 3.44Å; S101-E104 PolarHBondContact OG-N 2.89Å; S101-E104 PolarHBondContact OG-OE2 3.24Å; E104-D106 PolarHBondContact O-N 3.37Å; E104-R107 WeakPolarHBondContact O-CB 3.28Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 VanDerWaalsContact O-N 3.15Å; E104-Q108 PolarHBondContact O-N 3.07Å
105L89.3Confident92.2Very high59 Ų5970 Ų7031%0.30936%0.36SS..Hα-helixtrans-57-49.9171.8-72173.2000110.8L96 C99 S101 R107 Q108 R109L96-L105 HydrophobicContact CD2-CD2 3.98Å; C99-L105 HydrophobicContact CB-CD2 3.48Å; C99-L105 VanDerWaalsContact CB-CD2 3.48Å; C99-L105 HydrophobicContact CB-CG 3.74Å; S101-L105 PolarHBondContact O-N 3.14Å; S101-L105 VanDerWaalsContact O-N 3.11Å; L105-R107 PolarHBondContact O-N 3.11Å; L105-Q108 WeakPolarHBondContact O-CB 3.39Å; L105-Q108 PolarHBondContact O-N 3Å; L105-R109 VanDerWaalsContact O-CG 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.41Å; L105-R109 PolarHBondContact O-N 3.33Å
106D89.1Confident92.2Very high46 Ų4668 Ų6825%0.24635%0.349CS..Hα-helixtrans-59-36.3176.6-96.613.8000112.7R57 P102 E104 R109 S110R57-D106 IonicContact NH1-OD2 3.39Å; R57-D106 PolarHBondContact NH1-OD2 3.07Å; P102-D106 WeakPolarHBondContact O-CB 3.44Å; P102-D106 PolarHBondContact O-N 3.06Å; E104-D106 PolarHBondContact O-N 3.37Å; D106-R109 PolarHBondContact O-N 3.22Å; D106-R109 IonicContact OD1-NH1 2.81Å; D106-S110 WeakPolarHBondContact O-CB 3.47Å; D106-S110 PolarHBondContact O-N 3.26Å; D106-S110 PolarHBondContact O-OG 3.24Å
107R92.9Very high92.3Very high161 Ų16166.9 Ų66.961%0.60834%0.343SS*.Hα-helixtrans-65-41.4174-173.4179.768.2174.8-0.4111.7R103 E104 L105 S110R103-R107 WeakPolarHBondContact O-CB 3.46Å; R103-R107 PolarHBondContact O-N 3.27Å; E104-R107 WeakPolarHBondContact O-CB 3.28Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 VanDerWaalsContact O-N 3.15Å; L105-R107 PolarHBondContact O-N 3.11Å; R107-S110 PolarHBondContact O-N 3.12Å
108Q92.8Very high92.6Very high13 Ų1367 Ų676%0.06134%0.338CS..Hα-helixtrans-64.6-50.3174.2-64.4-61.7-3.600110.8W92 L96 C99 E104 L105 S110 K111W92-Q108 HydrophobicContact CH2-CB 4.16Å; W92-Q108 WeakPolarHBondContact CH2-O 3.39Å; W92-Q108 HydrophobicContact CZ3-CB 4.45Å; L96-Q108 HydrophobicContact CD2-CB 3.89Å; L96-Q108 HydrophobicContact CD2-CG 4.32Å; C99-Q108 WeakPolarHBondContact SG-CG 3.29Å; E104-Q108 PolarHBondContact O-N 3.07Å; L105-Q108 WeakPolarHBondContact O-CB 3.39Å; L105-Q108 PolarHBondContact O-N 3Å; Q108-S110 PolarHBondContact O-N 2.99Å; Q108-S110 VanDerWaalsContact O-N 3.13Å; Q108-K111 VanDerWaalsContact O-CB 3.26Å; Q108-K111 WeakPolarHBondContact O-CB 3.37Å; Q108-K111 PolarHBondContact O-N 3.47Å; Q108-K111 VanDerWaalsContact OE1-CE 3.25Å
109R91.9Very high92.8Very high62 Ų6261.4 Ų61.423%0.23431%0.311CS..Hα-helixtrans-53.5-35.9176.9-68.4-175.3166.8167-6.5112.7W53 W72 L105 D106 K111 L112W53-R109 WeakPolarHBondContact CB-O 3.11Å; W53-R109 HydrophobicContact CG-CB 4.46Å; W72-R109 HydrophobicContact CE3-CB 4.45Å; W72-R109 HydrophobicContact CE3-CG 4.31Å; W72-R109 HydrophobicContact CH2-CB 3.61Å; W72-R109 HydrophobicContact CH2-CG 3.28Å; W72-R109 HydrophobicContact CZ2-CB 4.5Å; W72-R109 HydrophobicContact CZ2-CG 3.7Å; W72-R109 HydrophobicContact CZ3-CB 3.59Å; W72-R109 HydrophobicContact CZ3-CG 3.64Å; L105-R109 VanDerWaalsContact O-CG 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.41Å; L105-R109 PolarHBondContact O-N 3.33Å; D106-R109 PolarHBondContact O-N 3.22Å; D106-R109 IonicContact OD1-NH1 2.81Å; R109-K111 PolarHBondContact O-N 3.39Å; R109-L112 WeakPolarHBondContact O-CB 3.38Å; R109-L112 PolarHBondContact O-N 3.39Å; R109-L112 VanDerWaalsContact O-N 3.13Å
110S91.9Very high93Very high42 Ų4260.3 Ų60.329%0.29430%0.304SS..THydrogen-bonded Turntrans-66.7-15178.7-60.70000114.3L54 D106 R107 Q108 L112L54-S110 WeakPolarHBondContact CD2-OG 3.23Å; D106-S110 WeakPolarHBondContact O-CB 3.47Å; D106-S110 PolarHBondContact O-N 3.26Å; D106-S110 PolarHBondContact O-OG 3.24Å; R107-S110 PolarHBondContact O-N 3.12Å; Q108-S110 PolarHBondContact O-N 2.99Å; Q108-S110 VanDerWaalsContact O-N 3.13Å; S110-L112 VanDerWaalsContact C-N 3.32Å
111K92.1Very high93.4Very high131 Ų13154.8 Ų54.857%0.5727%0.265SS*.THydrogen-bonded Turntrans-76.6-20173.6-60.8176.3177.5175.10112.7Q108 R109Q108-K111 VanDerWaalsContact O-CB 3.26Å; Q108-K111 WeakPolarHBondContact O-CB 3.37Å; Q108-K111 PolarHBondContact O-N 3.47Å; Q108-K111 VanDerWaalsContact OE1-CE 3.25Å; R109-K111 PolarHBondContact O-N 3.39Å
112L92.5Very high93.6Very high23 Ų2352.9 Ų52.912%0.1225%0.252CS..  trans-76136.7-178.6-63.7-179.4000111.4W53 W72 F75 W92 R109 S110W53-L112 PolarHBondContact N-O 2.87Å; W53-L112 VanDerWaalsContact N-O 3.13Å; W72-L112 HydrophobicContact CH2-CD1 3.61Å; W72-L112 HydrophobicContact CZ2-CD1 4.44Å; W72-L112 HydrophobicContact CZ3-CD1 4.35Å; F75-L112 HydrophobicContact CE1-CB 3.68Å; W92-L112 HydrophobicContact CE3-CD2 4.39Å; W92-L112 HydrophobicContact CH2-CD1 3.93Å; W92-L112 HydrophobicContact CH2-CD2 3.82Å; W92-L112 HydrophobicContact CH2-CG 3.63Å; W92-L112 HydrophobicContact CZ2-CD1 3.81Å; W92-L112 HydrophobicContact CZ2-CD2 4.18Å; W92-L112 HydrophobicContact CZ2-CG 4.03Å; W92-L112 HydrophobicContact CZ3-CD2 3.93Å; W92-L112 HydrophobicContact CZ3-CG 4.2Å; R109-L112 WeakPolarHBondContact O-CB 3.38Å; R109-L112 PolarHBondContact O-N 3.39Å; R109-L112 VanDerWaalsContact O-N 3.13Å; S110-L112 VanDerWaalsContact C-N 3.32Å
113C94.6Very high94Very high65 Ų6547.8 Ų47.844%0.43922%0.219SC..EExtended strand (participates in β ladder)trans-140.4150.1173.265.40000110.5M50 L51M50-C113 HydrophobicContact CB-CB 4.33Å; M50-C113 HydrophobicContact CE-CB 4.22Å; M50-C113 VanDerWaalsContact CE-SG 3.51Å; L51-C113 VanDerWaalsContact O-CA 3.3Å; L51-C113 WeakPolarHBondContact O-CA 3.27Å
114V95.4Very high94.3Very high6 Ų637.5 Ų37.54%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-128.8152.4-175.6-60.20000110.5M50 L51 F75 F78 T116 F119M50-V114 CarbonylContact C-O 3.48Å; M50-V114 WeakPolarHBondContact CA-O 3.15Å; L51-V114 HydrophobicContact CB-CG2 4.12Å; L51-V114 PolarHBondContact N-O 3.18Å; L51-V114 PolarHBondContact O-N 2.87Å; F75-V114 HydrophobicContact CD2-CG1 4.46Å; F75-V114 HydrophobicContact CD2-CG2 4.33Å; F75-V114 HydrophobicContact CE1-CG1 4.14Å; F75-V114 HydrophobicContact CE2-CB 4.38Å; F75-V114 HydrophobicContact CE2-CG1 3.91Å; F75-V114 HydrophobicContact CE2-CG2 3.57Å; F75-V114 HydrophobicContact CZ-CB 4.44Å; F75-V114 HydrophobicContact CZ-CG1 3.72Å; F75-V114 HydrophobicContact CZ-CG2 4.04Å; F78-V114 HydrophobicContact CD1-CB 3.74Å; F78-V114 HydrophobicContact CD1-CG1 3.58Å; F78-V114 HydrophobicContact CD1-CG2 4.48Å; F78-V114 HydrophobicContact CE1-CB 3.73Å; F78-V114 HydrophobicContact CE1-CG1 4.02Å; V114-T116 PolarHBondContact O-N 2.71Å; V114-F119 HydrophobicContact CG2-CB 3.75Å; V114-F119 HydrophobicContact CG2-CD1 4.16Å; V114-F119 HydrophobicContact CG2-CD2 4.09Å; V114-F119 HydrophobicContact CG2-CG 3.75Å
115D95.8Very high94.5Very high44 Ų4434.3 Ų34.324%0.23517%0.165CC..EExtended strand (participates in β ladder)trans-62.4122.5171.1179.4-79.1000109.7M50 L117 Q118 F119M50-D115 HydrophobicContact SD-CB 4.49Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 2.93Å; D115-L117 WeakPolarHBondContact OD1-CA 3.32Å; D115-L117 WeakPolarHBondContact OD1-CB 3.41Å; D115-L117 PolarHBondContact OD1-N 2.8Å; D115-Q118 HydrophobicContact CB-CB 4.1Å; D115-Q118 HydrophobicContact CB-CG 4.13Å; D115-Q118 PolarHBondContact O-N 3.07Å; D115-Q118 WeakPolarHBondContact OD1-CG 3.44Å; D115-Q118 PolarHBondContact OD1-N 3.22Å; D115-F119 VanDerWaalsContact O-CB 3.24Å; D115-F119 WeakPolarHBondContact O-CB 3.34Å; D115-F119 PolarHBondContact O-N 3.45Å
116T95.7Very high94.8Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-62.7-40.1-172.4-58.50000111.7V41 C47 F48 P49 L51 V114 L120V41-T116 HydrophobicContact CB-CG2 4.37Å; V41-T116 HydrophobicContact CG1-CG2 3.72Å; C47-T116 PolarHBondContact O-OG1 3.34Å; F48-T116 HydrophobicContact CD2-CG2 4.18Å; P49-T116 VanDerWaalsContact O-CB 3.24Å; P49-T116 WeakPolarHBondContact O-CB 3.31Å; P49-T116 PolarHBondContact O-N 3.15Å; P49-T116 PolarHBondContact O-OG1 3.15Å; L51-T116 PolarHBondContact N-OG1 3.1Å; V114-T116 PolarHBondContact O-N 2.71Å; T116-L120 HydrophobicContact CG2-CD1 4.17Å; T116-L120 WeakPolarHBondContact O-CB 3.48Å; T116-L120 VanDerWaalsContact O-CG 3.22Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 2.91Å
117L95.9Very high94.9Very high7 Ų730.5 Ų30.54%0.03714%0.144CC..Hα-helixtrans-72.7-44.1-175.5-60.9-178000110.7R42 F48 D115 F119 L120 L121 L185R42-L117 VanDerWaalsContact NH2-CD2 3.28Å; F48-L117 HydrophobicContact CE2-CD2 3.94Å; F48-L117 HydrophobicContact CE2-CG 4.06Å; F48-L117 HydrophobicContact CZ-CD1 4.44Å; F48-L117 HydrophobicContact CZ-CG 4.48Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 2.93Å; D115-L117 WeakPolarHBondContact OD1-CA 3.32Å; D115-L117 WeakPolarHBondContact OD1-CB 3.41Å; D115-L117 PolarHBondContact OD1-N 2.8Å; L117-F119 VanDerWaalsContact C-N 3.34Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 2.99Å; L117-L121 VanDerWaalsContact O-N 3.1Å; L117-L185 HydrophobicContact CB-CD2 3.86Å; L117-L185 HydrophobicContact CD2-CD2 4.22Å; L117-L185 HydrophobicContact CG-CD2 4.46Å
118Q96.8Very high94.8Very high58 Ų5823.2 Ų23.227%0.27112%0.117SC..Hα-helixtrans-63.3-41.7174.2-64.9-177.921.500111.2F78 D115 L120 L121 F122 L213F78-Q118 HydrophobicContact CE2-CB 4.09Å; F78-Q118 HydrophobicContact CZ-CB 3.57Å; D115-Q118 HydrophobicContact CB-CB 4.1Å; D115-Q118 HydrophobicContact CB-CG 4.13Å; D115-Q118 PolarHBondContact O-N 3.07Å; D115-Q118 WeakPolarHBondContact OD1-CG 3.44Å; D115-Q118 PolarHBondContact OD1-N 3.22Å; Q118-L120 PolarHBondContact O-N 3.49Å; Q118-L121 PolarHBondContact O-N 3.5Å; Q118-F122 WeakPolarHBondContact O-CB 3.38Å; Q118-F122 PolarHBondContact O-N 3.07Å; Q118-L213 HydrophobicContact CB-CB 4.45Å; Q118-L213 HydrophobicContact CB-CD2 4.08Å; Q118-L213 HydrophobicContact CG-CB 4.22Å; Q118-L213 VanDerWaalsContact O-CD2 3.24Å; Q118-L213 WeakPolarHBondContact O-CD2 3.24Å
119F97.3Very high94.6Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-65-39.2177.7-170.4-118.5000112.2M37 L51 W56 F75 F78 V114 D115 L117 L121 F122 L123M37-F119 HydrophobicContact CE-CD1 4Å; M37-F119 HydrophobicContact CE-CE1 4.22Å; L51-F119 HydrophobicContact CD2-CD1 3.71Å; L51-F119 HydrophobicContact CD2-CE1 4.03Å; W56-F119 AromaticContact CD2-CE1 3.65Å; W56-F119 HydrophobicContact CD2-CE1 3.65Å; W56-F119 HydrophobicContact CD2-CZ 4.01Å; W56-F119 AromaticContact CE2-CE1 3.84Å; W56-F119 AromaticContact CE2-CZ 3.74Å; W56-F119 AromaticContact CE3-CE1 3.77Å; W56-F119 HydrophobicContact CE3-CE1 3.77Å; W56-F119 HydrophobicContact CG-CE1 4.12Å; W56-F119 HydrophobicContact CG-CZ 4.37Å; W56-F119 HydrophobicContact CH2-CE1 4.25Å; W56-F119 HydrophobicContact CZ2-CE1 4.15Å; W56-F119 HydrophobicContact CZ2-CZ 4.02Å; W56-F119 HydrophobicContact CZ3-CE1 4.08Å; W56-F119 AromaticContact NE1-CZ 3.95Å; F75-F119 HydrophobicContact CD2-CE1 4.37Å; F75-F119 HydrophobicContact CD2-CE2 4.28Å; F75-F119 AromaticContact CD2-CZ 3.95Å; F75-F119 HydrophobicContact CD2-CZ 3.95Å; F78-F119 HydrophobicContact CB-CD2 3.8Å; F78-F119 HydrophobicContact CB-CE2 3.91Å; F78-F119 AromaticContact CD1-CD2 3.96Å; F78-F119 HydrophobicContact CD1-CD2 3.96Å; F78-F119 HydrophobicContact CD2-CD2 4.16Å; F78-F119 AromaticContact CG-CD2 3.68Å; F78-F119 HydrophobicContact CG-CD2 3.68Å; F78-F119 HydrophobicContact CG-CE2 4.31Å; V114-F119 HydrophobicContact CG2-CB 3.75Å; V114-F119 HydrophobicContact CG2-CD1 4.16Å; V114-F119 HydrophobicContact CG2-CD2 4.09Å; V114-F119 HydrophobicContact CG2-CG 3.75Å; D115-F119 VanDerWaalsContact O-CB 3.24Å; D115-F119 WeakPolarHBondContact O-CB 3.34Å; D115-F119 PolarHBondContact O-N 3.45Å; L117-F119 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.05Å; F119-F122 AromaticContact CD2-CD1 3.79Å; F119-F122 HydrophobicContact CD2-CD1 3.79Å; F119-F122 HydrophobicContact CD2-CE1 4.47Å; F119-F122 AromaticContact CE2-CD1 3.74Å; F119-F122 HydrophobicContact CE2-CD1 3.74Å; F119-F122 AromaticContact CE2-CE1 3.99Å; F119-F122 HydrophobicContact CE2-CE1 3.99Å; F119-F122 WeakPolarHBondContact O-CB 3.24Å; F119-F122 PolarHBondContact O-N 3.3Å; F119-L123 HydrophobicContact CD1-CD1 3.96Å; F119-L123 HydrophobicContact CD1-CG 4.31Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CE1-CG 4.05Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.39Å; F119-L123 HydrophobicContact CZ-CD1 4.13Å; F119-L123 HydrophobicContact CZ-CD2 3.88Å; F119-L123 HydrophobicContact CZ-CG 4.09Å; F119-L123 WeakPolarHBondContact O-CG 3.3Å; F119-L123 PolarHBondContact O-N 3.03Å
120L96.5Very high94.2Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-59.8-44.2172.8-78.1169.2000112.2L34 M37 A38 T116 L117 Q118 L123 Y124 L184L34-L120 HydrophobicContact CB-CD2 4.47Å; L34-L120 HydrophobicContact CD2-CD2 4.37Å; M37-L120 HydrophobicContact CB-CD2 4.46Å; M37-L120 HydrophobicContact CE-CD2 4.1Å; M37-L120 HydrophobicContact CG-CD2 4.09Å; M37-L120 HydrophobicContact SD-CD2 3.84Å; A38-L120 HydrophobicContact CB-CD1 3.58Å; A38-L120 HydrophobicContact CB-CD2 4.29Å; T116-L120 HydrophobicContact CG2-CD1 4.17Å; T116-L120 WeakPolarHBondContact O-CB 3.48Å; T116-L120 VanDerWaalsContact O-CG 3.22Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 2.91Å; L117-L120 PolarHBondContact O-N 3.39Å; Q118-L120 PolarHBondContact O-N 3.49Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-Y124 WeakPolarHBondContact O-CB 3.41Å; L120-Y124 PolarHBondContact O-N 2.88Å; L120-L184 HydrophobicContact CB-CD2 3.88Å; L120-L184 HydrophobicContact CB-CG 4.2Å; L120-L184 HydrophobicContact CD2-CD1 4.46Å
121L97.3Very high92.9Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-63.7-42.5174.9-66172.5000111.3L117 Q118 F119 Y124 I125 L181 L185 G210 L213 L214L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 2.99Å; L117-L121 VanDerWaalsContact O-N 3.1Å; Q118-L121 PolarHBondContact O-N 3.5Å; F119-L121 PolarHBondContact O-N 3.05Å; L121-Y124 PolarHBondContact O-N 3.15Å; L121-I125 WeakPolarHBondContact O-CG2 3.46Å; L121-I125 PolarHBondContact O-N 2.84Å; L121-L181 HydrophobicContact CD2-CB 4.24Å; L121-L181 HydrophobicContact CD2-CD2 3.62Å; L121-L185 HydrophobicContact CD1-CD1 4.22Å; L121-L185 HydrophobicContact CD1-CD2 4.03Å; L121-L185 HydrophobicContact CD2-CD1 4.11Å; L121-L185 HydrophobicContact CD2-CD2 4.13Å; L121-L185 HydrophobicContact CD2-CG 4.11Å; L121-L185 HydrophobicContact CG-CD2 4.02Å; L121-G210 VanDerWaalsContact CD1-O 3.26Å; L121-G210 WeakPolarHBondContact CD1-O 3.45Å; L121-L213 HydrophobicContact CB-CD2 4.18Å; L121-L214 HydrophobicContact CB-CD1 4.07Å; L121-L214 HydrophobicContact CB-CG 4.39Å; L121-L214 HydrophobicContact CD2-CD1 4.26Å
122F97.5Very high91.1Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-60-44.2175.8164.1-97.6000112.7G19 Y74 T77 F78 L81 Q118 F119 Y124 I125 Q126 L213G19-F122 WeakPolarHBondContact O-CE2 3.23Å; Y74-F122 AromaticContact CD1-CE1 4Å; Y74-F122 HydrophobicContact CD1-CE1 4Å; Y74-F122 HydrophobicContact CD1-CZ 4.23Å; Y74-F122 VanDerWaalsContact O-CE1 3.22Å; Y74-F122 WeakPolarHBondContact O-CE1 3.31Å; T77-F122 HydrophobicContact CG2-CE2 3.83Å; T77-F122 HydrophobicContact CG2-CZ 3.68Å; F78-F122 HydrophobicContact CB-CD1 3.96Å; F78-F122 HydrophobicContact CB-CD2 4.5Å; F78-F122 HydrophobicContact CB-CE1 4.01Å; F78-F122 HydrophobicContact CB-CG 4.22Å; F78-F122 HydrophobicContact CB-CZ 4.31Å; F78-F122 HydrophobicContact CD2-CB 3.47Å; F78-F122 VanDerWaalsContact CD2-CB 3.47Å; F78-F122 AromaticContact CD2-CD1 3.95Å; F78-F122 HydrophobicContact CD2-CD1 3.95Å; F78-F122 AromaticContact CD2-CD2 3.85Å; F78-F122 HydrophobicContact CD2-CD2 3.85Å; F78-F122 AromaticContact CD2-CG 3.46Å; F78-F122 HydrophobicContact CD2-CG 3.46Å; F78-F122 VanDerWaalsContact CD2-CG 3.46Å; F78-F122 HydrophobicContact CE2-CB 3.79Å; F78-F122 HydrophobicContact CE2-CG 4.28Å; F78-F122 HydrophobicContact CG-CD1 4.3Å; F78-F122 HydrophobicContact CG-CG 4.24Å; L81-F122 HydrophobicContact CD1-CD2 3.97Å; L81-F122 HydrophobicContact CD1-CE2 4.03Å; Q118-F122 WeakPolarHBondContact O-CB 3.38Å; Q118-F122 PolarHBondContact O-N 3.07Å; F119-F122 AromaticContact CD2-CD1 3.79Å; F119-F122 HydrophobicContact CD2-CD1 3.79Å; F119-F122 HydrophobicContact CD2-CE1 4.47Å; F119-F122 AromaticContact CE2-CD1 3.74Å; F119-F122 HydrophobicContact CE2-CD1 3.74Å; F119-F122 AromaticContact CE2-CE1 3.99Å; F119-F122 HydrophobicContact CE2-CE1 3.99Å; F119-F122 WeakPolarHBondContact O-CB 3.24Å; F119-F122 PolarHBondContact O-N 3.3Å; F122-Y124 VanDerWaalsContact C-N 3.28Å; F122-Y124 PolarHBondContact O-N 2.75Å; F122-I125 HydrophobicContact CD2-CD1 4.49Å; F122-I125 WeakPolarHBondContact O-CG1 3.44Å; F122-I125 PolarHBondContact O-N 2.97Å; F122-Q126 WeakPolarHBondContact O-CG 3.49Å; F122-Q126 PolarHBondContact O-NE2 2.88Å; F122-Q126 VanDerWaalsContact O-NE2 3.15Å; F122-L213 HydrophobicContact CB-CD2 4.24Å
123L96.7Very high88.8Confident0 Ų032.3 Ų32.30%017%0.173CC..Hα-helixtrans-65.3-36175.4-69.3178.3000111.2L29 L34 M37 W56 Y74 F119 L120 Q126L29-L123 HydrophobicContact CD1-CB 4.2Å; L29-L123 HydrophobicContact CD1-CD1 4.39Å; L29-L123 HydrophobicContact CD1-CD2 4.19Å; L29-L123 HydrophobicContact CD1-CG 4.5Å; L29-L123 WeakPolarHBondContact CD2-O 3.42Å; L34-L123 HydrophobicContact CD1-CB 4.47Å; L34-L123 HydrophobicContact CD2-CB 3.82Å; L34-L123 HydrophobicContact CD2-CD1 3.88Å; M37-L123 HydrophobicContact CE-CD1 4.23Å; M37-L123 HydrophobicContact SD-CD1 4.07Å; W56-L123 HydrophobicContact CH2-CD1 3.56Å; W56-L123 HydrophobicContact CH2-CD2 4.03Å; W56-L123 HydrophobicContact CH2-CG 4.46Å; W56-L123 HydrophobicContact CZ2-CD1 4.33Å; W56-L123 HydrophobicContact CZ2-CD2 4.12Å; W56-L123 HydrophobicContact CZ3-CD1 3.76Å; Y74-L123 HydrophobicContact CD1-CD2 4.2Å; Y74-L123 HydrophobicContact CG-CD2 4Å; F119-L123 HydrophobicContact CD1-CD1 3.96Å; F119-L123 HydrophobicContact CD1-CG 4.31Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CE1-CG 4.05Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.39Å; F119-L123 HydrophobicContact CZ-CD1 4.13Å; F119-L123 HydrophobicContact CZ-CD2 3.88Å; F119-L123 HydrophobicContact CZ-CG 4.09Å; F119-L123 WeakPolarHBondContact O-CG 3.3Å; F119-L123 PolarHBondContact O-N 3.03Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-Q126 WeakPolarHBondContact O-CB 3.28Å; L123-Q126 VanDerWaalsContact O-CG 3.28Å; L123-Q126 WeakPolarHBondContact O-CG 3.26Å; L123-Q126 PolarHBondContact O-N 2.81Å
124Y96.4Very high86.3Confident4 Ų439.3 Ų39.32%0.01619%0.19CC..Hα-helixtrans-69.2-40.3178.7-172.9-82000112.6L31 L34 L120 L121 F122 Q126 Q127 F173 H177 E180 L181L31-Y124 HydrophobicContact CB-CE2 4.15Å; L31-Y124 HydrophobicContact CD1-CD2 4.13Å; L31-Y124 HydrophobicContact CD1-CE2 3.77Å; L31-Y124 HydrophobicContact CG-CE2 4.43Å; L34-Y124 HydrophobicContact CD1-CD2 3.88Å; L34-Y124 HydrophobicContact CD1-CG 4.33Å; L120-Y124 WeakPolarHBondContact O-CB 3.41Å; L120-Y124 PolarHBondContact O-N 2.88Å; L121-Y124 PolarHBondContact O-N 3.15Å; F122-Y124 VanDerWaalsContact C-N 3.28Å; F122-Y124 PolarHBondContact O-N 2.75Å; Y124-Q126 PolarHBondContact O-N 2.8Å; Y124-Q126 VanDerWaalsContact O-N 3.1Å; Y124-Q127 VanDerWaalsContact O-CB 3.3Å; Y124-Q127 WeakPolarHBondContact O-CB 3.34Å; Y124-Q127 WeakPolarHBondContact O-CG 3.43Å; Y124-Q127 PolarHBondContact O-N 3.19Å; Y124-Q127 VanDerWaalsContact O-N 3.07Å; Y124-F173 HydrophobicContact CD1-CE1 4.4Å; Y124-F173 HydrophobicContact CD1-CZ 4.07Å; Y124-F173 HydrophobicContact CE1-CE1 4.25Å; Y124-F173 AromaticContact CE1-CZ 3.82Å; Y124-F173 HydrophobicContact CE1-CZ 3.82Å; Y124-H177 HydrophobicContact CE1-CB 3.79Å; Y124-H177 AromaticContact CZ-ND1 3.79Å; Y124-H177 PolarHBondContact OH-ND1 3.02Å; Y124-E180 HydrophobicContact CE2-CB 4.27Å; Y124-E180 WeakPolarHBondContact OH-CB 3.46Å; Y124-E180 PolarHBondContact OH-OE2 2.47Å; Y124-L181 HydrophobicContact CD1-CD2 3.31Å; Y124-L181 HydrophobicContact CD1-CG 4.06Å; Y124-L181 HydrophobicContact CE1-CD2 3.79Å; Y124-L181 HydrophobicContact CE1-CG 4.02Å; Y124-L181 HydrophobicContact CG-CD2 3.87Å
125I96.3Very high83.7Confident0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-65.5-14.3-179.962.5167.4000113.8P15 F16 L121 F122 Q127 L128 F173 L214P15-I125 HydrophobicContact CB-CD1 3.69Å; P15-I125 VanDerWaalsContact O-CD1 3.27Å; P15-I125 WeakPolarHBondContact O-CD1 3.19Å; F16-I125 HydrophobicContact CD1-CB 4.25Å; F16-I125 HydrophobicContact CD1-CD1 4.45Å; F16-I125 HydrophobicContact CD1-CG2 4.47Å; F16-I125 HydrophobicContact CE1-CB 3.91Å; F16-I125 HydrophobicContact CE1-CG2 3.72Å; F16-I125 HydrophobicContact CZ-CG2 4.02Å; L121-I125 WeakPolarHBondContact O-CG2 3.46Å; L121-I125 PolarHBondContact O-N 2.84Å; F122-I125 HydrophobicContact CD2-CD1 4.49Å; F122-I125 WeakPolarHBondContact O-CG1 3.44Å; F122-I125 PolarHBondContact O-N 2.97Å; I125-Q127 PolarHBondContact O-N 3.09Å; I125-L128 VanDerWaalsContact O-CB 3.25Å; I125-L128 WeakPolarHBondContact O-CB 3.24Å; I125-L128 PolarHBondContact O-N 2.98Å; I125-F173 HydrophobicContact CB-CE1 4.45Å; I125-F173 HydrophobicContact CG2-CE1 4.09Å; I125-L214 HydrophobicContact CD1-CD2 4.24Å; I125-L214 HydrophobicContact CG2-CD1 3.81Å; I125-L214 HydrophobicContact CG2-CD2 3.69Å; I125-L214 HydrophobicContact CG2-CG 4.43Å
126Q94.4Very high81Confident2 Ų246.4 Ų46.41%0.00924%0.239CC..G310 helixtrans-57.8-22.1171.7-53.4-57.3-41.300112G19 P25 L29 Y74 F122 L123 Y124 L128 N129G19-Q126 PolarHBondContact O-NE2 2.81Å; P25-Q126 HydrophobicContact CB-CB 3.97Å; P25-Q126 WeakPolarHBondContact CD-O 3.37Å; P25-Q126 WeakPolarHBondContact CG-O 3.12Å; L29-Q126 HydrophobicContact CD2-CB 3.97Å; L29-Q126 HydrophobicContact CD2-CG 4.03Å; Y74-Q126 HydrophobicContact CD1-CG 4.32Å; Y74-Q126 HydrophobicContact CE1-CG 3.71Å; F122-Q126 WeakPolarHBondContact O-CG 3.49Å; F122-Q126 PolarHBondContact O-NE2 2.88Å; F122-Q126 VanDerWaalsContact O-NE2 3.15Å; L123-Q126 WeakPolarHBondContact O-CB 3.28Å; L123-Q126 VanDerWaalsContact O-CG 3.28Å; L123-Q126 WeakPolarHBondContact O-CG 3.26Å; L123-Q126 PolarHBondContact O-N 2.81Å; Y124-Q126 PolarHBondContact O-N 2.8Å; Y124-Q126 VanDerWaalsContact O-N 3.1Å; Q126-L128 PolarHBondContact O-N 3.09Å; Q126-L128 VanDerWaalsContact O-N 3.14Å; Q126-N129 PolarHBondContact O-N 3.45Å
127Q91.9Very high78.1Confident22 Ų2253.5 Ų53.510%0.10328%0.276CS..G310 helixtrans-61.8-14.5172.8-60.3-64.9-33.500113.7L29 Y124 I125 N129 R130 F173L29-Q127 PolarHBondContact O-NE2 3.4Å; Y124-Q127 VanDerWaalsContact O-CB 3.3Å; Y124-Q127 WeakPolarHBondContact O-CB 3.34Å; Y124-Q127 WeakPolarHBondContact O-CG 3.43Å; Y124-Q127 PolarHBondContact O-N 3.19Å; Y124-Q127 VanDerWaalsContact O-N 3.07Å; I125-Q127 PolarHBondContact O-N 3.09Å; Q127-N129 PolarHBondContact O-N 2.99Å; Q127-R130 VanDerWaalsContact O-CB 3.24Å; Q127-R130 WeakPolarHBondContact O-CB 3.47Å; Q127-R130 PolarHBondContact O-N 2.65Å; Q127-F173 HydrophobicContact CB-CE2 4.04Å; Q127-F173 HydrophobicContact CB-CZ 4.25Å
128L91.4Very high75.4Confident8 Ų860.6 Ų60.64%0.04231%0.313CS..G310 helixtrans-51.5-43.1176179.869.3000112.2F16 A20 I125 Q126 K163 F173F16-L128 HydrophobicContact CB-CD2 4.4Å; F16-L128 HydrophobicContact CD1-CD2 4.07Å; A20-L128 HydrophobicContact CB-CD2 4.27Å; I125-L128 VanDerWaalsContact O-CB 3.25Å; I125-L128 WeakPolarHBondContact O-CB 3.24Å; I125-L128 PolarHBondContact O-N 2.98Å; Q126-L128 PolarHBondContact O-N 3.09Å; Q126-L128 VanDerWaalsContact O-N 3.14Å; L128-K163 HydrophobicContact CD1-CB 4.27Å; L128-K163 HydrophobicContact CD1-CD 4.37Å; L128-K163 HydrophobicContact CD2-CB 4.07Å; L128-K163 HydrophobicContact CG-CB 4.04Å; L128-K163 HydrophobicContact CG-CD 4.27Å; L128-K163 VanDerWaalsContact O-CD 3.25Å; L128-K163 WeakPolarHBondContact O-CD 3.37Å; L128-K163 PolarHBondContact O-NZ 3.07Å; L128-F173 HydrophobicContact CB-CD2 4.43Å; L128-F173 HydrophobicContact CB-CE2 4.49Å; L128-F173 HydrophobicContact CD1-CB 4.08Å; L128-F173 HydrophobicContact CD1-CD2 4.12Å; L128-F173 HydrophobicContact CD1-CG 4.2Å
129N87.3Confident72.7Confident26 Ų2660.8 Ų60.814%0.13933%0.33CS..G310 helixtrans-94.712.6-176.7-69-47.1000113.3L21 Q126 Q127 V131 N164L21-N129 PolarHBondContact O-ND2 3.36Å; Q126-N129 PolarHBondContact O-N 3.45Å; Q127-N129 PolarHBondContact O-N 2.99Å; N129-V131 PolarHBondContact O-N 3.14Å; N129-N164 PolarHBondContact ND2-OD1 3.32Å
130R84.8Confident69.5Low122 Ų12268.1 Ų68.146%0.4636%0.364SS..  trans-66.3132.1171.1-171.8160.8179.7174.54.4110.8Q127Q127-R130 VanDerWaalsContact O-CB 3.24Å; Q127-R130 WeakPolarHBondContact O-CB 3.47Å; Q127-R130 PolarHBondContact O-N 2.65Å
131V65.2Low66.5Low115 Ų11577.4 Ų77.470%0.69741%0.407SS*.  trans-75.7124.1176.9-176.90000109N129N129-V131 PolarHBondContact O-N 3.14Å
132S54.1Low63.4Low61 Ų6188.9 Ų88.943%0.42745%0.451SS..  trans-114.2121.4174.4-179.50000109.7R134 T135S132-R134 PolarHBondContact O-N 3.36Å; S132-T135 PolarHBondContact O-N 2.83Å; S132-T135 PolarHBondContact O-OG1 3.4Å
133L43.7Very low60.4Low139 Ų13994.7 Ų94.773%0.72849%0.489SS*.G310 helixtrans-69.7-18.4178.7-65.3172.1000112.9T135 S136L133-T135 VanDerWaalsContact C-N 3.31Å; L133-T135 PolarHBondContact O-N 3.16Å; L133-S136 PolarHBondContact O-N 2.84Å
134R42.7Very low57.3Low212 Ų21298.6 Ų98.680%0.852%0.516SS*.G310 helixtrans-69.1-28178.9-75.9-177.6172.8153.6-1.7113.1S132 S136S132-R134 PolarHBondContact O-N 3.36Å; R134-S136 VanDerWaalsContact C-N 3.35Å
135T41.1Very low54.3Low113 Ų113104.6 Ų104.669%0.69356%0.555SS**G310 helixtrans-76.9-18.9178.427.50000113.7S132 L133S132-T135 PolarHBondContact O-N 2.83Å; S132-T135 PolarHBondContact O-OG1 3.4Å; L133-T135 VanDerWaalsContact C-N 3.31Å; L133-T135 PolarHBondContact O-N 3.16Å
136S38.4Very low51.2Low86 Ų86115.8 Ų115.860%0.60160%0.598SS**G310 helixtrans-83.7-13.6179.6-51.60000113.9L133 R134L133-S136 PolarHBondContact O-N 2.84Å; R134-S136 VanDerWaalsContact C-N 3.35Å
137L33.5Very low48Very low148 Ų148120.9 Ų120.978%0.77563%0.633SS**G310 helixtrans-93.7-2.4-172.8-71.9166.7000114.6
138I40.1Very low45.1Very low157 Ų157131.5 Ų131.581%0.80567%0.672SS**SBendtrans-10515.6-173.1-62.9173.1000112.8
139G39.7Very low42.5Very low61 Ų61136.6 Ų136.663%0.62971%0.709SS**SBendtrans-176.261.6174.400000117.6
140E31.4Very low40.1Very low154 Ų154139.6 Ų139.672%0.7273%0.73SS**  trans-140.293.3155.9-69.1-162.7171.700109.5T158E140-T158 WeakPolarHBondContact OE1-CG2 3.27Å
141E33.3Very low37.4Very low195 Ų195138.6 Ų138.691%0.91174%0.742SS**  trans-75.6126.8161.4-107.8179.2174.200108.3
142W32.4Very low35.8Very low241 Ų241138.8 Ų138.891%0.91375%0.748SS**  trans-56.5136.7173.8-80.587.6000111.1S144W142-S144 PolarHBondContact O-N 2.98Å
143P34.7Very low34.8Very low122 Ų122142.6 Ų142.679%0.79276%0.763SS**  trans-67.6109.8-178.124.6-30.9000111.3
144S30.7Very low34.1Very low83 Ų83146 Ų14658%0.5877%0.766SS**  trans-82.6136.9167.3169.10000110.3W142 R146W142-S144 PolarHBondContact O-N 2.98Å; S144-R146 PolarHBondContact O-N 2.89Å
145P32.6Very low33.4Very low129 Ų129145.5 Ų145.584%0.83877%0.774SS**THydrogen-bonded Turntrans-75.319-170.830-35.2000115.2
146R31.3Very low33Very low236 Ų236143.1 Ų143.189%0.89177%0.765SS**THydrogen-bonded Turntrans-13230.3-174.8-64.8-166.1-165.7-157.24.9116.4S144S144-R146 PolarHBondContact O-N 2.89Å
147S28.7Very low32.9Very low108 Ų108148 Ų14876%0.75578%0.776SS**  trans-115.1112.7165.854.90000111.3
148R30.5Very low32.7Very low245 Ų245146.8 Ų146.893%0.92578%0.775SS**  trans-70.5129.8170-84.4178.7175.5175-1.8109.5
149S37Very low32.4Very low115 Ų115141.9 Ų141.980%0.80475%0.754SS**  trans60.4123.3160.3-48.90000118.9
150P35.5Very low32.5Very low90 Ų90143.1 Ų143.158%0.58475%0.753SS**  trans-119.3141.3155.129.8-13.6000113.5
151S28.2Very low33.7Very low101 Ų101141.5 Ų141.571%0.70675%0.745SS**  trans-58.3162.4165.951.30000113.4D153S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 2.97Å
152S32.8Very low35.7Very low119 Ų119133.1 Ų133.183%0.83271%0.707SS**SBendtrans-69.334.4-16474.20000118.4
153D32.9Very low38.3Very low140 Ų140125.4 Ų125.475%0.74968%0.68SS**  trans-121.313.6-175.6-82.1-27.9000114.9S151S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 2.97Å
154R28.6Very low40.8Very low210 Ų210119.7 Ų119.779%0.79264%0.643SS**  trans-101.61.9-172.2-78.8-169.1168.2-165.3-5117.7
155E28.2Very low43.6Very low203 Ų203116 Ų11695%0.94962%0.616SS**SBendtrans-94.66.7178.9-70.6177.6169.100114.4
156A32.5Very low46.4Very low63 Ų63111.9 Ų111.952%0.52159%0.587SS.*SBendtrans-88.9-1.4-171.400000116.1
157K37.2Very low49.2Very low189 Ų189100.9 Ų100.982%0.82255%0.546SS*.SBendtrans-138.952.1-161.5-69-174.9177.11770116.5
158T28Very low52.2Low122 Ų122100.3 Ų100.375%0.74853%0.531SS*.SBendtrans-14713.1155.7490000113.7E140E140-T158 WeakPolarHBondContact OE1-CG2 3.27Å
159S33.7Very low55.2Low54 Ų5489.5 Ų89.538%0.37850%0.495SS..SBendtrans-97127.9175.5157.80000109.6Q161 K354S159-Q161 VanDerWaalsContact C-N 3.32Å; S159-Q161 PolarHBondContact O-N 2.86Å; S159-K354 WeakPolarHBondContact OG-CE 3.38Å; S159-K354 PolarHBondContact OG-NZ 3.04Å
160S42.7Very low58Low87 Ų8784 Ų8461%0.60846%0.456SS*.  trans-3993.3157.842.20000110.8N162S160-N162 PolarHBondContact O-N 3.16Å
161Q56.6Low60.8Low119 Ų11980.1 Ų80.156%0.55643%0.43SS*.  trans-73.8124.7173.8-71.3-177-7.200106.9S159 K163S159-Q161 VanDerWaalsContact C-N 3.32Å; S159-Q161 PolarHBondContact O-N 2.86Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.04Å
162N74.9Confident64Low19 Ų1978 Ų7810%0.10242%0.416CS..  trans-64.495.2173.4-177.7-5.3000109Q22 S160 N164 W165Q22-N162 VanDerWaalsContact CD-ND2 3.33Å; Q22-N162 VanDerWaalsContact CD-OD1 3.23Å; Q22-N162 PolarHBondContact NE2-ND2 3.47Å; Q22-N162 VanDerWaalsContact NE2-ND2 3.13Å; Q22-N162 PolarHBondContact NE2-OD1 3.4Å; Q22-N162 PolarHBondContact OE1-ND2 3.39Å; Q22-N162 PolarHBondContact OE1-OD1 3.25Å; S160-N162 PolarHBondContact O-N 3.16Å; N162-N164 PolarHBondContact O-N 3Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 VanDerWaalsContact OD1-CB 3.28Å; N162-N164 WeakPolarHBondContact OD1-CB 3.48Å; N162-N164 PolarHBondContact OD1-N 3.14Å; N162-W165 PolarHBondContact O-N 2.9Å
163K86.3Confident67Low79 Ų7973.1 Ų73.134%0.34338%0.379SS..G310 helixtrans-57.6-27.6-175.9-68.3175.2176.8172.40112.5L128 Q161 W165 D166 A169 H170L128-K163 HydrophobicContact CD1-CB 4.27Å; L128-K163 HydrophobicContact CD1-CD 4.37Å; L128-K163 HydrophobicContact CD2-CB 4.07Å; L128-K163 HydrophobicContact CG-CB 4.04Å; L128-K163 HydrophobicContact CG-CD 4.27Å; L128-K163 VanDerWaalsContact O-CD 3.25Å; L128-K163 WeakPolarHBondContact O-CD 3.37Å; L128-K163 PolarHBondContact O-NZ 3.07Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.04Å; K163-W165 PolarHBondContact O-N 3.3Å; K163-D166 PolarHBondContact O-N 3.39Å; K163-A169 HydrophobicContact CB-CB 4.29Å; K163-A169 HydrophobicContact CG-CB 4.48Å; K163-H170 PolarHBondContact O-CD2 3.24Å; K163-H170 PolarHBondContact O-NE2 2.9Å
164N88.8Confident70Confident2 Ų266.4 Ų66.41%0.01134%0.344CS..G310 helixtrans-63.8-19.6-177.6-64.435.7000114.2F16 L17 A20 Q22 N129 N162 H170F16-N164 WeakPolarHBondContact O-CB 3.35Å; F16-N164 VanDerWaalsContact O-CG 3.3Å; F16-N164 PolarHBondContact O-ND2 3.42Å; L17-N164 WeakPolarHBondContact CA-O 3.32Å; A20-N164 PolarHBondContact O-ND2 3.16Å; Q22-N164 WeakPolarHBondContact CG-ND2 3.34Å; N129-N164 PolarHBondContact ND2-OD1 3.32Å; N162-N164 PolarHBondContact O-N 3Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 VanDerWaalsContact OD1-CB 3.28Å; N162-N164 WeakPolarHBondContact OD1-CB 3.48Å; N162-N164 PolarHBondContact OD1-N 3.14Å; N164-H170 VanDerWaalsContact C-NE2 3.34Å; N164-H170 WeakPolarHBondContact CA-NE2 3.29Å; N164-H170 PolarHBondContact O-CE1 2.79Å; N164-H170 PolarHBondContact O-NE2 3.23Å
165W88.9Confident73.2Confident6 Ų660.8 Ų60.82%0.02333%0.326CS..G310 helixtrans-103.2-3.2175-85.291.9000113.1L17 N162 K163 D167 M270 M308 N330 K332 S351L17-W165 HydrophobicContact CD1-CD2 3.67Å; L17-W165 HydrophobicContact CD1-CE3 4.43Å; L17-W165 HydrophobicContact CD1-CG 3.91Å; L17-W165 HydrophobicContact CD1-CH2 4.42Å; L17-W165 HydrophobicContact CD1-CZ2 3.67Å; L17-W165 HydrophobicContact CD2-CH2 4.25Å; L17-W165 HydrophobicContact CD2-CZ2 4.15Å; N162-W165 PolarHBondContact O-N 2.9Å; K163-W165 PolarHBondContact O-N 3.3Å; W165-D167 PolarHBondContact O-N 3.38Å; W165-M270 HydrophobicContact CB-SD 4.19Å; W165-M270 HydrophobicContact CE3-SD 4.45Å; W165-M270 WeakPolarHBondContact O-CB 3.49Å; W165-M308 HydrophobicContact CZ3-CE 4.09Å; W165-N330 HydrophobicContact CH2-CB 3.97Å; W165-K332 HydrophobicContact CB-CD 4.18Å; W165-K332 VanDerWaalsContact CB-NZ 3.33Å; W165-K332 HydrophobicContact CD2-CB 4.26Å; W165-K332 HydrophobicContact CD2-CD 3.46Å; W165-K332 VanDerWaalsContact CD2-CD 3.46Å; W165-K332 HydrophobicContact CD2-CG 4.45Å; W165-K332 HydrophobicContact CE3-CB 4.14Å; W165-K332 HydrophobicContact CE3-CD 3.78Å; W165-K332 HydrophobicContact CG-CD 3.65Å; W165-K332 HydrophobicContact CH2-CB 3.71Å; W165-K332 HydrophobicContact CZ2-CB 3.82Å; W165-K332 HydrophobicContact CZ2-CD 4.43Å; W165-K332 HydrophobicContact CZ3-CB 3.87Å; W165-K332 HydrophobicContact CZ3-CD 4.39Å; W165-S351 PolarHBondContact NE1-OG 3Å
166D90.6Very high76.4Confident43 Ų4355.5 Ų55.523%0.2331%0.308CS..  trans-94.8101.5-175.3-176.1-12.8000109.6K163 Q168 A169 H170K163-D166 PolarHBondContact O-N 3.39Å; D166-Q168 PolarHBondContact O-N 3.03Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.26Å; D166-Q168 VanDerWaalsContact OD1-CB 3.27Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; D166-Q168 PolarHBondContact OD1-N 3.04Å; D166-A169 HydrophobicContact CB-CB 3.7Å; D166-A169 WeakPolarHBondContact O-CB 3.25Å; D166-A169 PolarHBondContact O-N 3.39Å; D166-A169 VanDerWaalsContact O-N 3.07Å; D166-A169 PolarHBondContact OD1-N 3.45Å; D166-H170 PolarHBondContact O-CD2 3.17Å; D166-H170 VanDerWaalsContact O-CD2 3.3Å; D166-H170 PolarHBondContact O-N 2.9Å
167D91.6Very high79.3Confident4 Ų454.7 Ų54.72%0.02129%0.293CS..Hα-helixtrans-62.1-25.6178.652.8-40.1000112.9M13 W165 L171 S271M13-D167 HydrophobicContact SD-CB 4.03Å; W165-D167 PolarHBondContact O-N 3.38Å; D167-L171 PolarHBondContact O-N 3.47Å; D167-S271 WeakPolarHBondContact OD1-CB 3.31Å; D167-S271 PolarHBondContact OD1-N 2.95Å; D167-S271 VanDerWaalsContact OD1-N 3.15Å; D167-S271 PolarHBondContact OD1-OG 3.19Å; D167-S271 VanDerWaalsContact OD2-CB 3.3Å; D167-S271 WeakPolarHBondContact OD2-CB 3.42Å; D167-S271 PolarHBondContact OD2-N 3.39Å; D167-S271 PolarHBondContact OD2-OG 3.47Å
168Q91.9Very high82.1Confident96 Ų9645.8 Ų45.845%0.44926%0.255SS..Hα-helixtrans-77.1-36.9173.5-172.758.747.100111.7D166 H170 L171 S172D166-Q168 PolarHBondContact O-N 3.03Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.26Å; D166-Q168 VanDerWaalsContact OD1-CB 3.27Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; D166-Q168 PolarHBondContact OD1-N 3.04Å; Q168-H170 VanDerWaalsContact C-N 3.34Å; Q168-L171 PolarHBondContact O-N 3.37Å; Q168-S172 WeakPolarHBondContact O-CB 3.46Å; Q168-S172 PolarHBondContact O-N 3.43Å
169A92.9Very high85.3Confident19 Ų1941.8 Ų41.816%0.15723%0.232CC..Hα-helixtrans-63.1-41.6173.200000111.3K163 D166 S172 F173K163-A169 HydrophobicContact CB-CB 4.29Å; K163-A169 HydrophobicContact CG-CB 4.48Å; D166-A169 HydrophobicContact CB-CB 3.7Å; D166-A169 WeakPolarHBondContact O-CB 3.25Å; D166-A169 PolarHBondContact O-N 3.39Å; D166-A169 VanDerWaalsContact O-N 3.07Å; D166-A169 PolarHBondContact OD1-N 3.45Å; A169-S172 PolarHBondContact O-N 3.42Å; A169-F173 WeakPolarHBondContact O-CB 3.09Å; A169-F173 PolarHBondContact O-N 2.87Å
170H94.8Very high88.2Confident0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-61.9-44.2175.8-58.6168.3000111.9P11 M13 F16 K163 N164 D166 Q168 F173 L174P11-H170 HydrophobicContact CB-CB 4.04Å; P11-H170 HydrophobicContact CG-CB 4.38Å; M13-H170 PolarHBondContact SD-ND1 2.78Å; M13-H170 VanDerWaalsContact SD-ND1 3.4Å; F16-H170 VanDerWaalsContact CB-CE1 3.42Å; F16-H170 WeakPolarHBondContact CB-CE1 3.25Å; F16-H170 WeakPolarHBondContact CB-NE2 3.36Å; F16-H170 HydrophobicContact CD2-CB 4.16Å; F16-H170 AromaticContact CD2-CG 3.94Å; F16-H170 HydrophobicContact CE2-CB 4.37Å; F16-H170 HydrophobicContact CG-CB 4.39Å; F16-H170 AromaticContact CG-CD2 3.76Å; F16-H170 AromaticContact CG-CG 3.85Å; F16-H170 AromaticContact CG-NE2 3.98Å; K163-H170 PolarHBondContact O-CD2 3.24Å; K163-H170 PolarHBondContact O-NE2 2.9Å; N164-H170 VanDerWaalsContact C-NE2 3.34Å; N164-H170 WeakPolarHBondContact CA-NE2 3.29Å; N164-H170 PolarHBondContact O-CE1 2.79Å; N164-H170 PolarHBondContact O-NE2 3.23Å; D166-H170 PolarHBondContact O-CD2 3.17Å; D166-H170 VanDerWaalsContact O-CD2 3.3Å; D166-H170 PolarHBondContact O-N 2.9Å; Q168-H170 VanDerWaalsContact C-N 3.34Å; H170-F173 PolarHBondContact O-N 3.48Å; H170-L174 PolarHBondContact O-N 3.33Å
171L95.2Very high90.7Very high7 Ų738.4 Ų38.44%0.03720%0.2CC..Hα-helixtrans-61.7-49.6176.1175.862.4000111.3P11 D167 Q168 F173 L174 Q175 L263 P265P11-L171 HydrophobicContact CG-CB 4.2Å; P11-L171 HydrophobicContact CG-CD1 4.37Å; D167-L171 PolarHBondContact O-N 3.47Å; Q168-L171 PolarHBondContact O-N 3.37Å; L171-F173 VanDerWaalsContact C-N 3.3Å; L171-F173 PolarHBondContact O-N 3.46Å; L171-L174 PolarHBondContact O-N 2.92Å; L171-Q175 HydrophobicContact CD1-CG 4.11Å; L171-Q175 HydrophobicContact CG-CG 4.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.17Å; L171-Q175 PolarHBondContact O-N 3.12Å; L171-L263 HydrophobicContact CD1-CD1 4.41Å; L171-L263 HydrophobicContact CD1-CD2 3.71Å; L171-L263 HydrophobicContact CD1-CG 3.54Å; L171-P265 HydrophobicContact CD2-CB 4.25Å; L171-P265 HydrophobicContact CD2-CG 3.69Å
172S95Very high92.5Very high58 Ų5832.7 Ų32.741%0.40617%0.174SC..Hα-helixtrans-59.5-43.1179-174.90000111.3Q168 A169 Q175 T176Q168-S172 WeakPolarHBondContact O-CB 3.46Å; Q168-S172 PolarHBondContact O-N 3.43Å; A169-S172 PolarHBondContact O-N 3.42Å; S172-Q175 PolarHBondContact O-N 3.17Å; S172-T176 PolarHBondContact O-N 3.43Å; S172-T176 PolarHBondContact O-OG1 3.17Å
173F95.6Very high93.4Very high15 Ų1532.2 Ų32.27%0.06617%0.171CC..Hα-helixtrans-57.8-51.1176.5-179.9-90.5000110.6F16 Y124 I125 Q127 L128 A169 H170 L171 Q175 T176 H177F16-F173 AromaticContact CE1-CD1 3.74Å; F16-F173 HydrophobicContact CE1-CD1 3.74Å; F16-F173 HydrophobicContact CE1-CE1 4.11Å; F16-F173 HydrophobicContact CE1-CG 4.45Å; F16-F173 HydrophobicContact CZ-CD1 4.18Å; Y124-F173 HydrophobicContact CD1-CE1 4.4Å; Y124-F173 HydrophobicContact CD1-CZ 4.07Å; Y124-F173 HydrophobicContact CE1-CE1 4.25Å; Y124-F173 AromaticContact CE1-CZ 3.82Å; Y124-F173 HydrophobicContact CE1-CZ 3.82Å; I125-F173 HydrophobicContact CB-CE1 4.45Å; I125-F173 HydrophobicContact CG2-CE1 4.09Å; Q127-F173 HydrophobicContact CB-CE2 4.04Å; Q127-F173 HydrophobicContact CB-CZ 4.25Å; L128-F173 HydrophobicContact CB-CD2 4.43Å; L128-F173 HydrophobicContact CB-CE2 4.49Å; L128-F173 HydrophobicContact CD1-CB 4.08Å; L128-F173 HydrophobicContact CD1-CD2 4.12Å; L128-F173 HydrophobicContact CD1-CG 4.2Å; A169-F173 WeakPolarHBondContact O-CB 3.09Å; A169-F173 PolarHBondContact O-N 2.87Å; H170-F173 PolarHBondContact O-N 3.48Å; L171-F173 VanDerWaalsContact C-N 3.3Å; L171-F173 PolarHBondContact O-N 3.46Å; F173-Q175 PolarHBondContact O-N 2.67Å; F173-T176 PolarHBondContact O-N 2.85Å; F173-H177 AromaticContact CD2-CD2 3.48Å; F173-H177 VanDerWaalsContact CD2-CD2 3.48Å; F173-H177 WeakPolarHBondContact CD2-CD2 3.46Å; F173-H177 AromaticContact CD2-NE2 3.89Å; F173-H177 HydrophobicContact CE1-CB 4.32Å; F173-H177 AromaticContact CE2-CD2 3.49Å; F173-H177 VanDerWaalsContact CE2-CD2 3.49Å; F173-H177 WeakPolarHBondContact CE2-CD2 3.3Å; F173-H177 AromaticContact CE2-NE2 3.75Å; F173-H177 AromaticContact CG-CD2 3.92Å; F173-H177 HydrophobicContact CZ-CB 4.42Å; F173-H177 AromaticContact CZ-CD2 3.93Å; F173-H177 WeakPolarHBondContact O-CB 3.28Å; F173-H177 PolarHBondContact O-CD2 3.23Å; F173-H177 PolarHBondContact O-N 3.14Å
174L96.6Very high93.7Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-64.5-41179.5-76166.4000112.3P11 F16 H170 L171 T176 H177 L178 L181 L214 L215 L263P11-L174 HydrophobicContact CB-CD1 3.46Å; P11-L174 VanDerWaalsContact CB-CD1 3.46Å; P11-L174 HydrophobicContact CG-CD1 3.54Å; F16-L174 HydrophobicContact CE2-CD1 4.06Å; F16-L174 HydrophobicContact CZ-CD1 3.97Å; F16-L174 HydrophobicContact CZ-CD2 4.27Å; F16-L174 HydrophobicContact CZ-CG 3.98Å; H170-L174 PolarHBondContact O-N 3.33Å; L171-L174 PolarHBondContact O-N 2.92Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.24Å; L174-H177 PolarHBondContact O-N 2.89Å; L174-L178 WeakPolarHBondContact O-CA 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.3Å; L174-L178 PolarHBondContact O-N 3.01Å; L174-L181 HydrophobicContact CD2-CD1 3.47Å; L174-L181 VanDerWaalsContact CD2-CD1 3.47Å; L174-L214 HydrophobicContact CD2-CD1 4.26Å; L174-L215 HydrophobicContact CD1-CD2 3.78Å; L174-L263 HydrophobicContact CB-CD2 4.14Å
175Q94.8Very high93.9Very high91 Ų9128.6 Ų28.643%0.42516%0.155SC..Hα-helixtrans-58-41.5176.2-74.3175-26.400112.4L171 S172 F173 L263L171-Q175 HydrophobicContact CD1-CG 4.11Å; L171-Q175 HydrophobicContact CG-CG 4.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.17Å; L171-Q175 PolarHBondContact O-N 3.12Å; S172-Q175 PolarHBondContact O-N 3.17Å; F173-Q175 PolarHBondContact O-N 2.67Å; Q175-L263 HydrophobicContact CG-CD2 3.76Å
176T95.3Very high94Very high93 Ų9328.4 Ų28.457%0.57116%0.155SC*.Hα-helixtrans-72-42.2178.2-57.10000112.1S172 F173 L174S172-T176 PolarHBondContact O-N 3.43Å; S172-T176 PolarHBondContact O-OG1 3.17Å; F173-T176 PolarHBondContact O-N 2.85Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.24Å
177H95.1Very high93.9Very high45 Ų4530.1 Ų30.121%0.20816%0.161CC..Hα-helixtrans-101.6-0.4-167.7-66.2-79.5000114.8Y124 F173 L174 C179 E180 L181Y124-H177 HydrophobicContact CE1-CB 3.79Å; Y124-H177 AromaticContact CZ-ND1 3.79Å; Y124-H177 PolarHBondContact OH-ND1 3.02Å; F173-H177 AromaticContact CD2-CD2 3.48Å; F173-H177 VanDerWaalsContact CD2-CD2 3.48Å; F173-H177 WeakPolarHBondContact CD2-CD2 3.46Å; F173-H177 AromaticContact CD2-NE2 3.89Å; F173-H177 HydrophobicContact CE1-CB 4.32Å; F173-H177 AromaticContact CE2-CD2 3.49Å; F173-H177 VanDerWaalsContact CE2-CD2 3.49Å; F173-H177 WeakPolarHBondContact CE2-CD2 3.3Å; F173-H177 AromaticContact CE2-NE2 3.75Å; F173-H177 AromaticContact CG-CD2 3.92Å; F173-H177 HydrophobicContact CZ-CB 4.42Å; F173-H177 AromaticContact CZ-CD2 3.93Å; F173-H177 WeakPolarHBondContact O-CB 3.28Å; F173-H177 PolarHBondContact O-CD2 3.23Å; F173-H177 PolarHBondContact O-N 3.14Å; L174-H177 PolarHBondContact O-N 2.89Å; H177-C179 VanDerWaalsContact C-N 3.28Å; H177-C179 PolarHBondContact O-N 3.27Å; H177-C179 VanDerWaalsContact O-N 3.17Å; H177-E180 IonicContact ND1-OE2 3.84Å; H177-E180 PolarHBondContact O-N 2.96Å; H177-E180 VanDerWaalsContact O-N 3.09Å; H177-L181 HydrophobicContact CB-CD1 4.42Å; H177-L181 WeakPolarHBondContact O-CG 3.38Å; H177-L181 PolarHBondContact O-N 3.14Å
178L95.4Very high93.5Very high2 Ų231.9 Ų31.91%0.0117%0.173CC..Hα-helixtrans-55.3-38.9-174.1-170.359.3000114L174 L182 L256 L259 R260L174-L178 WeakPolarHBondContact O-CA 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.3Å; L174-L178 PolarHBondContact O-N 3.01Å; L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.44Å; L178-L256 HydrophobicContact CB-CD1 4.06Å; L178-L256 HydrophobicContact CD2-CD1 3.7Å; L178-L256 HydrophobicContact CG-CD1 3.66Å; L178-L259 HydrophobicContact CD1-CD1 4.33Å; L178-L259 HydrophobicContact CD2-CB 3.72Å; L178-R260 HydrophobicContact CD2-CG 3.95Å
179C94.4Very high93Very high39 Ų3931.1 Ų31.126%0.26419%0.191SC..Hα-helixtrans-64.7-47.5178.9-167.20000111H177 L181 L182 E183 L256H177-C179 VanDerWaalsContact C-N 3.28Å; H177-C179 PolarHBondContact O-N 3.27Å; H177-C179 VanDerWaalsContact O-N 3.17Å; C179-L181 VanDerWaalsContact C-N 3.32Å; C179-L181 PolarHBondContact O-N 3.47Å; C179-L182 PolarHBondContact O-N 3.1Å; C179-E183 WeakPolarHBondContact O-CB 3.44Å; C179-E183 WeakPolarHBondContact O-CG 3.46Å; C179-E183 PolarHBondContact O-N 3.48Å; C179-L256 HydrophobicContact CB-CD1 4.44Å; C179-L256 HydrophobicContact CB-CD2 4.15Å
180E94.8Very high92.8Very high69 Ų6932.9 Ų32.932%0.32220%0.196SC..Hα-helixtrans-65-37.8179.9-62.6-178.2-163.400111.7L31 Y124 H177 E183 L184L31-E180 HydrophobicContact CD1-CB 4.22Å; L31-E180 HydrophobicContact CD2-CB 3.91Å; L31-E180 HydrophobicContact CD2-CG 3.74Å; L31-E180 WeakPolarHBondContact CD2-OE2 3.08Å; Y124-E180 HydrophobicContact CE2-CB 4.27Å; Y124-E180 WeakPolarHBondContact OH-CB 3.46Å; Y124-E180 PolarHBondContact OH-OE2 2.47Å; H177-E180 IonicContact ND1-OE2 3.84Å; H177-E180 PolarHBondContact O-N 2.96Å; H177-E180 VanDerWaalsContact O-N 3.09Å; E180-E183 PolarHBondContact O-N 2.8Å; E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 3.23Å
181L95.9Very high92.2Very high0 Ų034.5 Ų34.50%020%0.204CC..Hα-helixtrans-62.6-44.6174.1-71.1168.1000111.8L121 Y124 L174 H177 C179 L184 L185 L214L121-L181 HydrophobicContact CD2-CB 4.24Å; L121-L181 HydrophobicContact CD2-CD2 3.62Å; Y124-L181 HydrophobicContact CD1-CD2 3.31Å; Y124-L181 HydrophobicContact CD1-CG 4.06Å; Y124-L181 HydrophobicContact CE1-CD2 3.79Å; Y124-L181 HydrophobicContact CE1-CG 4.02Å; Y124-L181 HydrophobicContact CG-CD2 3.87Å; L174-L181 HydrophobicContact CD2-CD1 3.47Å; L174-L181 VanDerWaalsContact CD2-CD1 3.47Å; H177-L181 HydrophobicContact CB-CD1 4.42Å; H177-L181 WeakPolarHBondContact O-CG 3.38Å; H177-L181 PolarHBondContact O-N 3.14Å; C179-L181 VanDerWaalsContact C-N 3.32Å; C179-L181 PolarHBondContact O-N 3.47Å; L181-L184 WeakPolarHBondContact O-CB 3.43Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.26Å; L181-L214 HydrophobicContact CD1-CD1 4.17Å; L181-L214 HydrophobicContact CD2-CD1 4.07Å
182L94.7Very high91.6Very high0 Ų036.4 Ų36.40%022%0.218CC..Hα-helixtrans-68.2-41.1176.7-69.1176000111.7L178 C179 L184 L185 V186 L211 L252 L255 L256 L259L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.44Å; C179-L182 PolarHBondContact O-N 3.1Å; L182-L184 PolarHBondContact O-N 3.11Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 2.77Å; L182-V186 VanDerWaalsContact O-N 3.1Å; L182-L211 HydrophobicContact CD2-CD2 3.86Å; L182-L252 HydrophobicContact CB-CD1 3.65Å; L182-L252 HydrophobicContact CD1-CD1 4.24Å; L182-L255 HydrophobicContact CD2-CD2 4.37Å; L182-L256 HydrophobicContact CD1-CB 3.88Å; L182-L256 HydrophobicContact CD1-CD1 3.91Å; L182-L256 HydrophobicContact CD1-CG 4.46Å; L182-L259 HydrophobicContact CD1-CD1 4.24Å; L182-L259 HydrophobicContact CD2-CD1 4.34Å
183E92.5Very high90.5Very high9 Ų938.2 Ų38.24%0.04225%0.246CC..Hα-helixtrans-60-33.1175.1-75.2178.4157.800112.6R35 C179 E180 L185 L191 A197R35-E183 IonicContact CZ-OE2 3.57Å; R35-E183 IonicContact NH2-OE2 3.82Å; R35-E183 PolarHBondContact NH2-OE2 3.32Å; C179-E183 WeakPolarHBondContact O-CB 3.44Å; C179-E183 WeakPolarHBondContact O-CG 3.46Å; C179-E183 PolarHBondContact O-N 3.48Å; E180-E183 PolarHBondContact O-N 2.8Å; E183-L185 PolarHBondContact O-N 3.3Å; E183-L191 HydrophobicContact CB-CD2 4.47Å; E183-A197 HydrophobicContact CG-CB 4.21Å; E183-A197 PolarHBondContact OE1-N 2.84Å
184L92.8Very high89.4Confident2 Ų241.8 Ų41.81%0.0127%0.273CS..Hα-helixtrans-67.2-26.3175.6-169.762.3000112.7L34 R35 A38 L120 E180 L181 L182L34-L184 HydrophobicContact CB-CD1 3.87Å; L34-L184 HydrophobicContact CB-CD2 4.49Å; R35-L184 HydrophobicContact CG-CD1 4.22Å; A38-L184 HydrophobicContact CB-CD1 4.35Å; L120-L184 HydrophobicContact CB-CD2 3.88Å; L120-L184 HydrophobicContact CB-CG 4.2Å; L120-L184 HydrophobicContact CD2-CD1 4.46Å; E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 3.23Å; L181-L184 WeakPolarHBondContact O-CB 3.43Å; L181-L184 PolarHBondContact O-N 2.94Å; L182-L184 PolarHBondContact O-N 3.11Å
185L92.7Very high88.3Confident2 Ų242.3 Ų42.31%0.0128%0.278CS..Hα-helixtrans-91.2-21.5-178.7-62.9172.7000113.3R42 L117 L121 L181 L182 E183 A207 L211R42-L185 PolarHBondContact NH2-O 2.85Å; L117-L185 HydrophobicContact CB-CD2 3.86Å; L117-L185 HydrophobicContact CD2-CD2 4.22Å; L117-L185 HydrophobicContact CG-CD2 4.46Å; L121-L185 HydrophobicContact CD1-CD1 4.22Å; L121-L185 HydrophobicContact CD1-CD2 4.03Å; L121-L185 HydrophobicContact CD2-CD1 4.11Å; L121-L185 HydrophobicContact CD2-CD2 4.13Å; L121-L185 HydrophobicContact CD2-CG 4.11Å; L121-L185 HydrophobicContact CG-CD2 4.02Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.26Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.02Å; E183-L185 PolarHBondContact O-N 3.3Å; L185-A207 HydrophobicContact CB-CB 3.91Å; L185-L211 HydrophobicContact CD1-CB 4.05Å; L185-L211 HydrophobicContact CD1-CD1 4.29Å
186V91.5Very high87.7Confident3 Ų343.5 Ų43.52%0.01828%0.284CS..SBendtrans-65.8149.8175.7170.30000110.7L182 Q190 L191 V203 L252L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 2.77Å; L182-V186 VanDerWaalsContact O-N 3.1Å; V186-Q190 HydrophobicContact CG1-CB 3.61Å; V186-Q190 HydrophobicContact CG1-CG 4.29Å; V186-L191 HydrophobicContact CG1-CD2 4.42Å; V186-V203 HydrophobicContact CG2-CG2 4Å; V186-L252 HydrophobicContact CG2-CD1 3.84Å
187E87.8Confident87Confident78 Ų7840.1 Ų40.136%0.36427%0.265SS..  trans-62.9137.4177.7-71.8-58.8124.100111.8R42 G189 Q190R42-E187 WeakPolarHBondContact CD-OE2 3.5Å; R42-E187 IonicContact CZ-OE1 3.91Å; R42-E187 IonicContact NE-OE1 3.22Å; R42-E187 PolarHBondContact NE-OE1 3.1Å; R42-E187 IonicContact NE-OE2 2.87Å; R42-E187 PolarHBondContact NE-OE2 3.5Å; R42-E187 IonicContact NH2-OE1 3.91Å; E187-G189 PolarHBondContact O-N 3.06Å; E187-Q190 HydrophobicContact CB-CG 4.25Å; E187-Q190 WeakPolarHBondContact O-CB 3.4Å; E187-Q190 PolarHBondContact O-N 3.49Å
188P84.2Confident86.5Confident42 Ų4241.6 Ų41.627%0.27328%0.277SS..G310 helixtrans-55.1-33.4-174.3-26.132000114.5A39 Q190 L191A39-P188 HydrophobicContact CB-CB 3.93Å; A39-P188 HydrophobicContact CB-CG 3.96Å; P188-Q190 PolarHBondContact O-N 2.96Å; P188-L191 PolarHBondContact O-N 3.02Å
189G82Confident85.7Confident80 Ų8050 Ų5083%0.82531%0.314SS*.G310 helixtrans-68.2-13178.100000114.6E187E187-G189 PolarHBondContact O-N 3.06Å
190Q87.1Confident85.2Confident56 Ų5654.5 Ų54.526%0.26234%0.335SS..G310 helixtrans-97.24.7178.3-52-177.55000112.7V186 E187 P188 V198 S201V186-Q190 HydrophobicContact CG1-CB 3.61Å; V186-Q190 HydrophobicContact CG1-CG 4.29Å; E187-Q190 HydrophobicContact CB-CG 4.25Å; E187-Q190 WeakPolarHBondContact O-CB 3.4Å; E187-Q190 PolarHBondContact O-N 3.49Å; P188-Q190 PolarHBondContact O-N 2.96Å; Q190-V198 WeakPolarHBondContact O-CG2 3.43Å; Q190-V198 PolarHBondContact O-N 3.28Å; Q190-V198 VanDerWaalsContact O-N 3.15Å; Q190-S201 PolarHBondContact O-OG 3.25Å; Q190-S201 VanDerWaalsContact OE1-CA 3.23Å
191L83.1Confident85Confident34 Ų3451.4 Ų51.418%0.17832%0.321CS..BIsolated β-bridgetrans-102.4143.1176.2-60.4175.3000110.1E183 V186 P188 Q196 A197E183-L191 HydrophobicContact CB-CD2 4.47Å; V186-L191 HydrophobicContact CG1-CD2 4.42Å; P188-L191 PolarHBondContact O-N 3.02Å; L191-Q196 CarbonylContact C-O 3.55Å; L191-Q196 WeakPolarHBondContact CA-O 3.1Å; L191-A197 HydrophobicContact CD2-CB 4.42Å
192S82.6Confident84.9Confident46 Ų4653.5 Ų53.532%0.32233%0.331SS..  trans-67.3169.2171.673.20000111.5S194 G195 Q196S192-S194 PolarHBondContact O-N 3.46Å; S192-S194 VanDerWaalsContact O-N 3.1Å; S192-S194 PolarHBondContact OG-N 3.18Å; S192-S194 PolarHBondContact OG-OG 2.9Å; S192-G195 WeakPolarHBondContact O-CA 3.27Å; S192-G195 PolarHBondContact O-N 3.49Å; S192-G195 PolarHBondContact OG-N 3.49Å; S192-Q196 PolarHBondContact N-O 2.83Å; S192-Q196 PolarHBondContact OG-N 2.81Å; S192-Q196 VanDerWaalsContact OG-N 3.16Å; S192-Q196 PolarHBondContact OG-O 2.65Å
193G71.2Confident84.8Confident96 Ų9653.5 Ų53.599%0.9933%0.331SS*.THydrogen-bonded Turntrans-59.3-19.9171.700000114.4
194S72.8Confident84.9Confident91 Ų9154.8 Ų54.864%0.63634%0.341SS*.THydrogen-bonded Turntrans-90.10.3172.758.60000113.7S192S192-S194 PolarHBondContact O-N 3.46Å; S192-S194 VanDerWaalsContact O-N 3.1Å; S192-S194 PolarHBondContact OG-N 3.18Å; S192-S194 PolarHBondContact OG-OG 2.9Å
195G74.1Confident84.9Confident11 Ų1157 Ų5711%0.11335%0.352CS..SBendtrans78.915178.400000114.7R35 S192R35-G195 PolarHBondContact NE-O 3.34Å; R35-G195 PolarHBondContact NH2-O 3.45Å; R35-G195 VanDerWaalsContact NH2-O 3.14Å; S192-G195 WeakPolarHBondContact O-CA 3.27Å; S192-G195 PolarHBondContact O-N 3.49Å; S192-G195 PolarHBondContact OG-N 3.49Å
196Q81.3Confident84.9Confident116 Ų11662.1 Ų62.154%0.54238%0.376SS..PPolyproline II helixtrans-87.6143.6174.7-67.9-97.3-59.700109.7L191 S192L191-Q196 CarbonylContact C-O 3.55Å; L191-Q196 WeakPolarHBondContact CA-O 3.1Å; S192-Q196 PolarHBondContact N-O 2.83Å; S192-Q196 PolarHBondContact OG-N 2.81Å; S192-Q196 VanDerWaalsContact OG-N 3.16Å; S192-Q196 PolarHBondContact OG-O 2.65Å
197A80.9Confident85Confident21 Ų2162 Ų6217%0.17438%0.375CS..BIsolated β-bridgetrans-61.5138.2172.400000112.3E183 L191 L252E183-A197 HydrophobicContact CG-CB 4.21Å; E183-A197 PolarHBondContact OE1-N 2.84Å; L191-A197 HydrophobicContact CD2-CB 4.42Å; A197-L252 HydrophobicContact CB-CD2 3.14Å
198V85.6Confident85.4Confident76 Ų7658.3 Ų58.346%0.46136%0.358SS..PPolyproline II helixtrans-75.3155.6171.6-177.60000109.1Q190 D200 S201Q190-V198 WeakPolarHBondContact O-CG2 3.43Å; Q190-V198 PolarHBondContact O-N 3.28Å; Q190-V198 VanDerWaalsContact O-N 3.15Å; V198-D200 PolarHBondContact O-N 2.84Å; V198-S201 PolarHBondContact N-OG 3.05Å; V198-S201 VanDerWaalsContact N-OG 3.08Å; V198-S201 WeakPolarHBondContact O-CB 3.41Å; V198-S201 PolarHBondContact O-N 3.24Å; V198-S201 PolarHBondContact O-OG 3.47Å
199K78.3Confident85.9Confident180 Ų18060.7 Ų60.778%0.78337%0.366SS*.THydrogen-bonded Turntrans-50.8-33.5-173.3-75.9-175.9175-179.50114.7
200D82.6Confident86.5Confident133 Ų13357 Ų5771%0.71133%0.327SS*.THydrogen-bonded Turntrans-101.516.8-177-58-44.2000113.7V198 Q202V198-D200 PolarHBondContact O-N 2.84Å; D200-Q202 PolarHBondContact O-N 3.44Å; D200-Q202 PolarHBondContact O-NE2 3.1Å
201S91.5Very high87Confident3 Ų354.3 Ų54.32%0.02132%0.315CS..  trans-57.5136.6179.7-67.80000112.1Q190 V198 L252Q190-S201 PolarHBondContact O-OG 3.25Å; Q190-S201 VanDerWaalsContact OE1-CA 3.23Å; V198-S201 PolarHBondContact N-OG 3.05Å; V198-S201 VanDerWaalsContact N-OG 3.08Å; V198-S201 WeakPolarHBondContact O-CB 3.41Å; V198-S201 PolarHBondContact O-N 3.24Å; V198-S201 PolarHBondContact O-OG 3.47Å; S201-L252 VanDerWaalsContact O-CB 3.23Å; S201-L252 WeakPolarHBondContact O-CB 3.4Å; S201-L252 PolarHBondContact O-N 2.71Å
202Q93.4Very high87.6Confident44 Ų4453.2 Ų53.221%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-116.7144.3-180-54.5-60.7-53.400110.6D200 F250 S251D200-Q202 PolarHBondContact O-N 3.44Å; D200-Q202 PolarHBondContact O-NE2 3.1Å; Q202-F250 CarbonylContact C-O 3.49Å; Q202-F250 VanDerWaalsContact CA-O 3.3Å; Q202-F250 WeakPolarHBondContact CA-O 3.46Å; Q202-F250 VanDerWaalsContact OE1-C 3.31Å; Q202-F250 PolarHBondContact OE1-O 2.82Å; Q202-S251 PolarHBondContact NE2-OG 3.2Å; Q202-S251 VanDerWaalsContact NE2-OG 3.08Å; Q202-S251 VanDerWaalsContact OE1-CA 3.25Å; Q202-S251 VanDerWaalsContact OE1-N 3.16Å; Q202-S251 PolarHBondContact OE1-OG 3.29Å
203V93.7Very high88.2Confident1 Ų151.7 Ų51.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-105119.4174-177.80000107.9V186 A207 S249 F250 L252 L255V186-V203 HydrophobicContact CG2-CG2 4Å; V203-A207 HydrophobicContact CG1-CB 3.65Å; V203-S249 WeakPolarHBondContact O-CB 3.43Å; V203-F250 HydrophobicContact CB-CB 4.49Å; V203-F250 PolarHBondContact N-O 2.84Å; V203-F250 PolarHBondContact O-N 2.79Å; V203-L252 HydrophobicContact CG2-CB 4.34Å; V203-L252 HydrophobicContact CG2-CD1 3.54Å; V203-L255 HydrophobicContact CB-CD2 3.98Å; V203-L255 HydrophobicContact CG1-CD2 4.05Å; V203-L255 HydrophobicContact CG2-CD2 4.05Å
204S93.7Very high89.5Confident36 Ų3647.1 Ų47.125%0.25225%0.251SS..  trans-72.1170.2-179.885.10000112.2E206 A207 L208S204-E206 VanDerWaalsContact C-N 3.3Å; S204-E206 WeakPolarHBondContact CB-OE2 3.22Å; S204-E206 PolarHBondContact OG-N 3.47Å; S204-E206 PolarHBondContact OG-OE2 3.3Å; S204-A207 PolarHBondContact O-N 2.98Å; S204-A207 PolarHBondContact OG-N 3.27Å; S204-A207 VanDerWaalsContact OG-N 3.15Å; S204-L208 PolarHBondContact O-N 3.02Å; S204-L208 VanDerWaalsContact O-N 3.12Å
205L93.1Very high90.6Very high47 Ų4742.8 Ų42.825%0.24622%0.22CC..Hα-helixtrans-67-34.7175.5-71.6169.4000111.7L208 Q209 Y243 R248 F250L205-L208 PolarHBondContact O-N 2.88Å; L205-Q209 WeakPolarHBondContact O-CG 3.5Å; L205-Q209 PolarHBondContact O-N 3.22Å; L205-Y243 HydrophobicContact CD2-CE2 4.26Å; L205-R248 WeakPolarHBondContact CG-O 3.37Å; L205-F250 HydrophobicContact CD2-CE2 3.91Å
206E92.8Very high91.6Very high110 Ų11043.2 Ų43.251%0.51422%0.22SC..Hα-helixtrans-66.7-43176.7-56.972.5-156.400110.7S204 L208 Q209 G210S204-E206 VanDerWaalsContact C-N 3.3Å; S204-E206 WeakPolarHBondContact CB-OE2 3.22Å; S204-E206 PolarHBondContact OG-N 3.47Å; S204-E206 PolarHBondContact OG-OE2 3.3Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 2.87Å; E206-Q209 WeakPolarHBondContact O-CB 3.32Å; E206-Q209 PolarHBondContact O-N 2.99Å; E206-G210 PolarHBondContact O-N 3.03Å
207A94.1Very high92.3Very high0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-57.6-42.6171.300000111.9L185 V203 S204 G210 L211L185-A207 HydrophobicContact CB-CB 3.91Å; V203-A207 HydrophobicContact CG1-CB 3.65Å; S204-A207 PolarHBondContact O-N 2.98Å; S204-A207 PolarHBondContact OG-N 3.27Å; S204-A207 VanDerWaalsContact OG-N 3.15Å; A207-G210 PolarHBondContact O-N 3.48Å; A207-L211 PolarHBondContact O-N 3.42Å
208L94.8Very high92.9Very high1 Ų136.8 Ų36.81%0.00519%0.186CC..Hα-helixtrans-69.4-33.6177.2-170.564.9000113S204 L205 E206 L211 S212 I228 H229 L232 F250S204-L208 PolarHBondContact O-N 3.02Å; S204-L208 VanDerWaalsContact O-N 3.12Å; L205-L208 PolarHBondContact O-N 2.88Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 2.87Å; L208-L211 HydrophobicContact CD1-CD2 4.15Å; L208-L211 PolarHBondContact O-N 2.98Å; L208-S212 PolarHBondContact O-N 2.77Å; L208-S212 PolarHBondContact O-OG 2.88Å; L208-S212 VanDerWaalsContact O-OG 3.11Å; L208-I228 HydrophobicContact CD1-CG1 4.47Å; L208-I228 HydrophobicContact CD1-CG2 4.16Å; L208-H229 HydrophobicContact CB-CB 4.42Å; L208-H229 HydrophobicContact CD2-CB 4.2Å; L208-H229 HydrophobicContact CG-CB 3.95Å; L208-L232 HydrophobicContact CD1-CD1 3.87Å; L208-L232 HydrophobicContact CD2-CB 3.97Å; L208-L232 HydrophobicContact CD2-CD1 3.82Å; L208-L232 HydrophobicContact CG-CD1 4.43Å; L208-F250 HydrophobicContact CD2-CD2 4.08Å; L208-F250 HydrophobicContact CD2-CE2 3.51Å; L208-F250 HydrophobicContact CD2-CZ 4.01Å
209Q95.3Very high93.1Very high93 Ų9335.5 Ų35.544%0.43518%0.178SC..Hα-helixtrans-61.6-45.2169.4-74.6169.9-14.700110.5L205 E206 L211 S212 H229L205-Q209 WeakPolarHBondContact O-CG 3.5Å; L205-Q209 PolarHBondContact O-N 3.22Å; E206-Q209 WeakPolarHBondContact O-CB 3.32Å; E206-Q209 PolarHBondContact O-N 2.99Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 3.3Å; Q209-S212 WeakPolarHBondContact O-CB 3.1Å; Q209-S212 PolarHBondContact O-N 3.48Å; Q209-S212 PolarHBondContact O-OG 2.83Å; Q209-H229 HydrophobicContact CG-CB 3.95Å
210G95.6Very high93.1Very high1 Ų129.1 Ų29.11%0.0116%0.156CC..Hα-helixtrans-56-44.9173.600000112.8L121 E206 A207 S212 L213L121-G210 VanDerWaalsContact CD1-O 3.26Å; L121-G210 WeakPolarHBondContact CD1-O 3.45Å; E206-G210 PolarHBondContact O-N 3.03Å; A207-G210 PolarHBondContact O-N 3.48Å; G210-S212 PolarHBondContact O-N 3.39Å; G210-L213 VanDerWaalsContact O-CB 3.27Å; G210-L213 WeakPolarHBondContact O-CB 3.34Å; G210-L213 PolarHBondContact O-N 2.96Å
211L96.6Very high92.6Very high1 Ų133.5 Ų33.51%0.00516%0.163CC..Hα-helixtrans-60.4-20.8176.8-170.362.7000113.4L182 L185 A207 L208 Q209 L213 L214 L215 I228 L259L182-L211 HydrophobicContact CD2-CD2 3.86Å; L185-L211 HydrophobicContact CD1-CB 4.05Å; L185-L211 HydrophobicContact CD1-CD1 4.29Å; A207-L211 PolarHBondContact O-N 3.42Å; L208-L211 HydrophobicContact CD1-CD2 4.15Å; L208-L211 PolarHBondContact O-N 2.98Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 3.3Å; L211-L213 PolarHBondContact O-N 3.09Å; L211-L214 PolarHBondContact O-N 3.29Å; L211-L215 HydrophobicContact CD1-CD1 4.16Å; L211-L215 HydrophobicContact CD2-CD1 4Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.47Å; L211-L215 PolarHBondContact O-N 2.94Å; L211-I228 HydrophobicContact CB-CG2 4.3Å; L211-I228 HydrophobicContact CG-CG2 4.34Å; L211-L259 HydrophobicContact CD2-CD1 4.03Å
212S96Very high91.6Very high10 Ų1033.9 Ų33.97%0.0717%0.167CC..THydrogen-bonded Turntrans-69.5-10.3175.7-51.60000113.8R12 L208 Q209 G210 L214 L215 I228 H229R12-S212 VanDerWaalsContact CD-O 3.28Å; R12-S212 WeakPolarHBondContact CD-O 3.42Å; R12-S212 PolarHBondContact NH1-O 2.95Å; R12-S212 VanDerWaalsContact NH1-O 3.07Å; L208-S212 PolarHBondContact O-N 2.77Å; L208-S212 PolarHBondContact O-OG 2.88Å; L208-S212 VanDerWaalsContact O-OG 3.11Å; Q209-S212 WeakPolarHBondContact O-CB 3.1Å; Q209-S212 PolarHBondContact O-N 3.48Å; Q209-S212 PolarHBondContact O-OG 2.83Å; G210-S212 PolarHBondContact O-N 3.39Å; S212-L214 VanDerWaalsContact C-N 3.27Å; S212-L215 WeakPolarHBondContact CA-O 3.5Å; S212-I228 VanDerWaalsContact OG-CG2 3.29Å; S212-I228 WeakPolarHBondContact OG-CG2 3.37Å; S212-I228 PolarHBondContact OG-N 2.92Å; S212-H229 PolarHBondContact OG-N 3.04Å; S212-H229 PolarHBondContact OG-ND1 3.48Å
213L95.8Very high90.7Very high14 Ų1442.3 Ų42.37%0.07320%0.197CC..THydrogen-bonded Turntrans-58.2-44.2164-179.771.3000110.5R12 P15 F78 Q118 L121 F122 G210 L211R12-L213 WeakPolarHBondContact CD-O 3.42Å; R12-L213 PolarHBondContact NH1-O 3.36Å; P15-L213 HydrophobicContact CG-CD1 4.4Å; P15-L213 HydrophobicContact CG-CG 4.28Å; P15-L213 WeakPolarHBondContact CG-O 3.44Å; F78-L213 HydrophobicContact CE2-CD1 4.19Å; F78-L213 HydrophobicContact CE2-CD2 3.98Å; Q118-L213 HydrophobicContact CB-CB 4.45Å; Q118-L213 HydrophobicContact CB-CD2 4.08Å; Q118-L213 HydrophobicContact CG-CB 4.22Å; Q118-L213 VanDerWaalsContact O-CD2 3.24Å; Q118-L213 WeakPolarHBondContact O-CD2 3.24Å; L121-L213 HydrophobicContact CB-CD2 4.18Å; F122-L213 HydrophobicContact CB-CD2 4.24Å; G210-L213 VanDerWaalsContact O-CB 3.27Å; G210-L213 WeakPolarHBondContact O-CB 3.34Å; G210-L213 PolarHBondContact O-N 2.96Å; L211-L213 PolarHBondContact O-N 3.09Å
214L96.9Very high90.3Very high0 Ų047 Ų470%022%0.222CC..THydrogen-bonded Turntrans-99.7-25.4-171.1-59.5-175.5000113.8P11 R12 P15 F16 L121 I125 L174 L181 L211 S212P11-L214 CarbonylContact C-O 3.5Å; P11-L214 WeakPolarHBondContact CA-O 3.46Å; R12-L214 PolarHBondContact N-O 3.46Å; P15-L214 HydrophobicContact CB-CD2 3.86Å; P15-L214 HydrophobicContact CG-CD2 4.16Å; F16-L214 HydrophobicContact CE2-CD2 4.48Å; F16-L214 HydrophobicContact CZ-CD2 4.45Å; L121-L214 HydrophobicContact CB-CD1 4.07Å; L121-L214 HydrophobicContact CB-CG 4.39Å; L121-L214 HydrophobicContact CD2-CD1 4.26Å; I125-L214 HydrophobicContact CD1-CD2 4.24Å; I125-L214 HydrophobicContact CG2-CD1 3.81Å; I125-L214 HydrophobicContact CG2-CD2 3.69Å; I125-L214 HydrophobicContact CG2-CG 4.43Å; L174-L214 HydrophobicContact CD2-CD1 4.26Å; L181-L214 HydrophobicContact CD1-CD1 4.17Å; L181-L214 HydrophobicContact CD2-CD1 4.07Å; L211-L214 PolarHBondContact O-N 3.29Å; S212-L214 VanDerWaalsContact C-N 3.27Å
215L96.9Very high90.3Very high0 Ų047 Ų470%022%0.221CC..EExtended strand (participates in β ladder)trans-127.4139.5-172.4-64.3179.1000112.5V9 L174 L211 S212 I228 L259 L263V9-L215 HydrophobicContact CG1-CB 4.18Å; V9-L215 HydrophobicContact CG1-CD1 4.35Å; V9-L215 HydrophobicContact CG1-CD2 4.28Å; L174-L215 HydrophobicContact CD1-CD2 3.78Å; L211-L215 HydrophobicContact CD1-CD1 4.16Å; L211-L215 HydrophobicContact CD2-CD1 4Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.47Å; L211-L215 PolarHBondContact O-N 2.94Å; S212-L215 WeakPolarHBondContact CA-O 3.5Å; L215-I228 HydrophobicContact CB-CB 4.23Å; L215-I228 HydrophobicContact CB-CG2 4.28Å; L215-L259 HydrophobicContact CD1-CD2 4.14Å; L215-L263 HydrophobicContact CD2-CD1 3.74Å
216E95.8Very high90.3Very high21 Ų2146.7 Ų46.710%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-140.1169.4169.568.1-173.9-170.100109.3V9 W10 R12 V225 H226V9-E216 CarbonylContact C-O 3.55Å; V9-E216 WeakPolarHBondContact CA-O 3.35Å; W10-E216 HydrophobicContact CZ2-CG 4.13Å; W10-E216 PolarHBondContact N-O 2.92Å; W10-E216 PolarHBondContact NE1-OE1 3.38Å; W10-E216 PolarHBondContact O-N 2.81Å; R12-E216 HydrophobicContact CG-CB 3.93Å; R12-E216 HydrophobicContact CG-CG 3.68Å; R12-E216 IonicContact NE-OE2 3.45Å; E216-V225 HydrophobicContact CB-CG1 4.06Å; E216-V225 VanDerWaalsContact CD-CG1 3.47Å; E216-V225 HydrophobicContact CG-CG1 3.83Å; E216-H226 WeakPolarHBondContact CA-O 3.24Å
217G95.1Very high90.4Very high0 Ų043.8 Ų43.80%021%0.208CC..EExtended strand (participates in β ladder)trans-165.5178.8-17900000114.5A8 H226A8-G217 CarbonylContact O-C 3.46Å; A8-G217 WeakPolarHBondContact O-CA 3.38Å; G217-H226 PolarHBondContact N-O 3.19Å; G217-H226 PolarHBondContact O-N 2.75Å
218S93.8Very high90.4Very high1 Ų143.8 Ų43.81%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-149.2151.1179.8-1710000111.7A8 S220 N224A8-S218 PolarHBondContact N-O 2.94Å; A8-S218 PolarHBondContact O-N 3.4Å; S218-S220 PolarHBondContact OG-N 2.78Å; S218-S220 VanDerWaalsContact OG-N 3.15Å; S218-S220 PolarHBondContact OG-OG 2.97Å; S218-N224 WeakPolarHBondContact CB-O 3.24Å; S218-N224 PolarHBondContact OG-O 2.72Å
219V88.4Confident90.4Very high49 Ų4945.8 Ų45.830%0.29722%0.218SC..SBendtrans-94.6-13170.9-168.10000111V7 L231 L237V7-V219 HydrophobicContact CG2-CB 4.43Å; V7-V219 HydrophobicContact CG2-CG1 4.14Å; V7-V219 HydrophobicContact CG2-CG2 4.03Å; V219-L231 HydrophobicContact CG2-CD1 3.53Å; V219-L237 HydrophobicContact CG2-CD1 4.09Å
220S79.3Confident90.4Very high47 Ų4747 Ų4733%0.32922%0.221SC..SBendtrans-119.750.8-168.454.90000113S218 G222 R223 N224S218-S220 PolarHBondContact OG-N 2.78Å; S218-S220 VanDerWaalsContact OG-N 3.15Å; S218-S220 PolarHBondContact OG-OG 2.97Å; S220-G222 PolarHBondContact O-N 3.22Å; S220-G222 VanDerWaalsContact O-N 3.1Å; S220-R223 PolarHBondContact O-N 3.14Å; S220-R223 VanDerWaalsContact O-N 3.11Å; S220-N224 PolarHBondContact OG-N 2.86Å
221R72.3Confident90.3Very high224 Ų22446.9 Ų46.985%0.84522%0.221SC*.THydrogen-bonded Turntrans4938.5179.5-59.8-175.2180-176.71113.2
222G69.4Low90.1Very high11 Ų1146.9 Ų46.911%0.11322%0.221CC..THydrogen-bonded Turntrans85.91.817600000116.4S220 F268S220-G222 PolarHBondContact O-N 3.22Å; S220-G222 VanDerWaalsContact O-N 3.1Å; G222-F268 WeakPolarHBondContact O-CZ 3.27Å
223R74.8Confident89.8Confident222 Ų22250 Ų5084%0.83824%0.242SC*.SBendtrans-70.7-41.8179.8-69.3-174.1-179.3-169.10.3113.5S220S220-R223 PolarHBondContact O-N 3.14Å; S220-R223 VanDerWaalsContact O-N 3.11Å
224N86.3Confident89.5Confident99 Ų9954 Ų5453%0.52926%0.256SS..SBendtrans-114.699.2178.1-66.1-20.5000108.6S218 S220 H226S218-N224 WeakPolarHBondContact CB-O 3.24Å; S218-N224 PolarHBondContact OG-O 2.72Å; S220-N224 PolarHBondContact OG-N 2.86Å; N224-H226 PolarHBondContact O-CD2 3.47Å; N224-H226 VanDerWaalsContact O-CD2 3.27Å
225V92.6Very high88.8Confident36 Ų3657.2 Ų57.222%0.21828%0.284CS..  trans-84.3131.9179.5-175.90000109.1W10 E216 F268 P303W10-V225 HydrophobicContact CH2-CG2 4.23Å; W10-V225 HydrophobicContact CZ2-CB 4.42Å; W10-V225 HydrophobicContact CZ2-CG1 3.83Å; W10-V225 HydrophobicContact CZ2-CG2 3.85Å; E216-V225 HydrophobicContact CB-CG1 4.06Å; E216-V225 VanDerWaalsContact CD-CG1 3.47Å; E216-V225 HydrophobicContact CG-CG1 3.83Å; V225-F268 HydrophobicContact CG2-CE2 3.69Å; V225-F268 HydrophobicContact CG2-CZ 4.02Å; V225-P303 HydrophobicContact CG2-CG 4.11Å
226H93.8Very high88.3Confident41 Ų4161.3 Ų61.319%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-130.4141.7-179.9-60.5-67.7000110.5E216 G217 N224 K230 R234E216-H226 WeakPolarHBondContact CA-O 3.24Å; G217-H226 PolarHBondContact N-O 3.19Å; G217-H226 PolarHBondContact O-N 2.75Å; N224-H226 PolarHBondContact O-CD2 3.47Å; N224-H226 VanDerWaalsContact O-CD2 3.27Å; H226-K230 HydrophobicContact CB-CB 4.47Å; H226-R234 PolarHBondContact CD2-NH2 3.38Å; H226-R234 VanDerWaalsContact CD2-NH2 3.25Å; H226-R234 PolarHBondContact CE1-NH2 3.23Å; H226-R234 PolarHBondContact NE2-NH2 3.23Å
227P94.8Very high88Confident48 Ų4860.9 Ų60.931%0.31231%0.308SS..EExtended strand (participates in β ladder)trans-50.6143.6162.7-27.135.7000111.1H229 K230 L231P227-H229 VanDerWaalsContact CB-CE1 3.41Å; P227-H229 WeakPolarHBondContact CB-CE1 3.44Å; P227-H229 WeakPolarHBondContact CB-ND1 3.19Å; P227-H229 PolarHBondContact O-N 3.45Å; P227-H229 VanDerWaalsContact O-N 3.17Å; P227-K230 HydrophobicContact CB-CG 4.47Å; P227-K230 HydrophobicContact CG-CD 4.44Å; P227-K230 PolarHBondContact O-N 3.05Å; P227-L231 PolarHBondContact O-N 2.92Å
228I95Very high87.8Confident0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-58-36.2-173.3-168.159.9000112.8V9 L208 L211 S212 L215 K230 L231 L232 W258 L259V9-I228 HydrophobicContact CB-CD1 4.43Å; V9-I228 HydrophobicContact CG1-CD1 3.88Å; V9-I228 HydrophobicContact CG2-CD1 3.6Å; L208-I228 HydrophobicContact CD1-CG1 4.47Å; L208-I228 HydrophobicContact CD1-CG2 4.16Å; L211-I228 HydrophobicContact CB-CG2 4.3Å; L211-I228 HydrophobicContact CG-CG2 4.34Å; S212-I228 VanDerWaalsContact OG-CG2 3.29Å; S212-I228 WeakPolarHBondContact OG-CG2 3.37Å; S212-I228 PolarHBondContact OG-N 2.92Å; L215-I228 HydrophobicContact CB-CB 4.23Å; L215-I228 HydrophobicContact CB-CG2 4.28Å; I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 2.89Å; I228-L231 HydrophobicContact CD1-CB 4.49Å; I228-L231 HydrophobicContact CD1-CD2 3.96Å; I228-L231 WeakPolarHBondContact O-CB 3.28Å; I228-L231 PolarHBondContact O-N 3.37Å; I228-L232 HydrophobicContact CD1-CD1 4.28Å; I228-L232 HydrophobicContact CD1-CG 4.37Å; I228-L232 HydrophobicContact CG1-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.12Å; I228-L232 PolarHBondContact O-N 3.03Å; I228-W258 HydrophobicContact CD1-CH2 4.44Å; I228-W258 HydrophobicContact CD1-CZ3 4.15Å; I228-L259 HydrophobicContact CD1-CD2 4.25Å; I228-L259 HydrophobicContact CG1-CD2 4.27Å
229H94.8Very high87.6Confident44 Ų4467.9 Ų67.920%0.20435%0.348CS..Hα-helixtrans-64-34.2176.671.3-88.3000113.5L208 Q209 S212 P227 S233L208-H229 HydrophobicContact CB-CB 4.42Å; L208-H229 HydrophobicContact CD2-CB 4.2Å; L208-H229 HydrophobicContact CG-CB 3.95Å; Q209-H229 HydrophobicContact CG-CB 3.95Å; S212-H229 PolarHBondContact OG-N 3.04Å; S212-H229 PolarHBondContact OG-ND1 3.48Å; P227-H229 VanDerWaalsContact CB-CE1 3.41Å; P227-H229 WeakPolarHBondContact CB-CE1 3.44Å; P227-H229 WeakPolarHBondContact CB-ND1 3.19Å; P227-H229 PolarHBondContact O-N 3.45Å; P227-H229 VanDerWaalsContact O-N 3.17Å; H229-S233 PolarHBondContact O-N 2.9Å
230K94.4Very high87.7Confident117 Ų11771.3 Ų71.351%0.50936%0.361SS..Hα-helixtrans-79.3-25.2175.6-62.3-167.6178.81770112.4H226 P227 I228 S233H226-K230 HydrophobicContact CB-CB 4.47Å; P227-K230 HydrophobicContact CB-CG 4.47Å; P227-K230 HydrophobicContact CG-CD 4.44Å; P227-K230 PolarHBondContact O-N 3.05Å; I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 2.89Å; K230-S233 PolarHBondContact O-OG 2.84Å
231L92.6Very high88.3Confident0 Ų069.1 Ų69.10%035%0.346CS..Hα-helixtrans-71.6-47.4174.4-172.267.1000110.2V7 V9 V219 P227 I228 S233 R234 L237V7-L231 HydrophobicContact CG1-CD2 3.79Å; V7-L231 HydrophobicContact CG1-CG 4.43Å; V9-L231 HydrophobicContact CG2-CD2 3.92Å; V219-L231 HydrophobicContact CG2-CD1 3.53Å; P227-L231 PolarHBondContact O-N 2.92Å; I228-L231 HydrophobicContact CD1-CB 4.49Å; I228-L231 HydrophobicContact CD1-CD2 3.96Å; I228-L231 WeakPolarHBondContact O-CB 3.28Å; I228-L231 PolarHBondContact O-N 3.37Å; L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.41Å; L231-R234 WeakPolarHBondContact O-CB 3.22Å; L231-R234 WeakPolarHBondContact O-CG 3.23Å; L231-R234 PolarHBondContact O-N 2.79Å; L231-L237 HydrophobicContact CD1-CD1 4.04Å; L231-L237 HydrophobicContact CG-CD1 3.99Å
232L92.8Very high89.3Confident1 Ų159.4 Ų59.41%0.00532%0.315CS..THydrogen-bonded Turntrans-76.8-6-179.1-75.7175000114.6L208 I228 L237 Q238 A241 F250 L255 W258L208-L232 HydrophobicContact CD1-CD1 3.87Å; L208-L232 HydrophobicContact CD2-CB 3.97Å; L208-L232 HydrophobicContact CD2-CD1 3.82Å; L208-L232 HydrophobicContact CG-CD1 4.43Å; I228-L232 HydrophobicContact CD1-CD1 4.28Å; I228-L232 HydrophobicContact CD1-CG 4.37Å; I228-L232 HydrophobicContact CG1-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.12Å; I228-L232 PolarHBondContact O-N 3.03Å; L232-L237 HydrophobicContact CD2-CB 4.29Å; L232-Q238 WeakPolarHBondContact O-CA 3.3Å; L232-Q238 VanDerWaalsContact O-CB 3.26Å; L232-Q238 WeakPolarHBondContact O-CB 3.24Å; L232-A241 HydrophobicContact CD2-CB 3.55Å; L232-F250 HydrophobicContact CB-CE1 4.35Å; L232-F250 HydrophobicContact CB-CZ 3.98Å; L232-L255 HydrophobicContact CD1-CD1 3.76Å; L232-W258 HydrophobicContact CD1-CZ3 4.18Å; L232-W258 HydrophobicContact CD2-CD2 4.3Å; L232-W258 HydrophobicContact CD2-CE3 4Å; L232-W258 HydrophobicContact CD2-CH2 3.64Å; L232-W258 HydrophobicContact CD2-CZ2 3.93Å; L232-W258 HydrophobicContact CD2-CZ3 3.67Å; L232-W258 HydrophobicContact CG-CH2 4.26Å; L232-W258 HydrophobicContact CG-CZ3 4.14Å
233S90.2Very high90.5Very high75 Ų7561.1 Ų61.152%0.52432%0.319SS..THydrogen-bonded Turntrans-77.9-7168.3660000113.3H229 K230 L231H229-S233 PolarHBondContact O-N 2.9Å; K230-S233 PolarHBondContact O-OG 2.84Å; L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.41Å
234R89.5Confident91.3Very high97 Ų9752.6 Ų52.637%0.36629%0.293SS..SBendtrans-81.8128.5178.2-61.7-178-179.3-173.20.3110.8H226 L231 L237 Q238H226-R234 PolarHBondContact CD2-NH2 3.38Å; H226-R234 VanDerWaalsContact CD2-NH2 3.25Å; H226-R234 PolarHBondContact CE1-NH2 3.23Å; H226-R234 PolarHBondContact NE2-NH2 3.23Å; L231-R234 WeakPolarHBondContact O-CB 3.22Å; L231-R234 WeakPolarHBondContact O-CG 3.23Å; L231-R234 PolarHBondContact O-N 2.79Å; R234-L237 HydrophobicContact CB-CD1 4.49Å; R234-L237 PolarHBondContact O-N 3.13Å; R234-Q238 WeakPolarHBondContact O-CB 3.21Å; R234-Q238 PolarHBondContact O-N 3.13Å
235A81.8Confident91.4Very high69 Ų6956.5 Ų56.557%0.5731%0.306SS*.Hα-helixtrans-44-51.6-17000000116.6L237 Q238 T239A235-L237 VanDerWaalsContact C-N 3.32Å; A235-L237 PolarHBondContact O-N 3.42Å; A235-Q238 PolarHBondContact O-N 3.04Å; A235-T239 PolarHBondContact O-N 3.13Å; A235-T239 PolarHBondContact O-OG1 2.92Å
236P86.4Confident91.2Very high86 Ų8663 Ų6356%0.55834%0.338SS*.Hα-helixtrans-67.9-32.2-178.125.3-33.3000113Q240P236-Q240 WeakPolarHBondContact O-CG 3.46Å; P236-Q240 PolarHBondContact O-N 3.07Å
237L89.6Confident90.7Very high11 Ų1163.3 Ų63.36%0.05835%0.352CS..Hα-helixtrans-80.7-36.5-178.8-53.3-178.6000111.4V7 V219 L231 L232 R234 A235 T239 Q240 A241V7-L237 HydrophobicContact CB-CD2 4.43Å; V7-L237 HydrophobicContact CG1-CD1 4.36Å; V7-L237 HydrophobicContact CG2-CD1 3.7Å; V7-L237 HydrophobicContact CG2-CD2 3.41Å; V7-L237 VanDerWaalsContact CG2-CD2 3.41Å; V7-L237 HydrophobicContact CG2-CG 4.18Å; V219-L237 HydrophobicContact CG2-CD1 4.09Å; L231-L237 HydrophobicContact CD1-CD1 4.04Å; L231-L237 HydrophobicContact CG-CD1 3.99Å; L232-L237 HydrophobicContact CD2-CB 4.29Å; R234-L237 HydrophobicContact CB-CD1 4.49Å; R234-L237 PolarHBondContact O-N 3.13Å; A235-L237 VanDerWaalsContact C-N 3.32Å; A235-L237 PolarHBondContact O-N 3.42Å; L237-T239 VanDerWaalsContact C-N 3.32Å; L237-T239 PolarHBondContact O-N 3.28Å; L237-Q240 PolarHBondContact O-N 3.07Å; L237-A241 WeakPolarHBondContact O-CB 3.14Å; L237-A241 PolarHBondContact O-N 3.13Å
238Q90.9Very high90.5Very high38 Ų3869.3 Ų69.318%0.17837%0.369CS..Hα-helixtrans-57.4-46177.2-171.3170.341.500111.4L232 R234 A235 Y243 F250L232-Q238 WeakPolarHBondContact O-CA 3.3Å; L232-Q238 VanDerWaalsContact O-CB 3.26Å; L232-Q238 WeakPolarHBondContact O-CB 3.24Å; R234-Q238 WeakPolarHBondContact O-CB 3.21Å; R234-Q238 PolarHBondContact O-N 3.13Å; A235-Q238 PolarHBondContact O-N 3.04Å; Q238-Y243 VanDerWaalsContact CD-CD1 3.41Å; Q238-Y243 HydrophobicContact CG-CD1 3.52Å; Q238-Y243 HydrophobicContact CG-CD2 4.08Å; Q238-Y243 HydrophobicContact CG-CE1 4.32Å; Q238-Y243 HydrophobicContact CG-CG 3.36Å; Q238-Y243 VanDerWaalsContact NE2-CZ 3.29Å; Q238-Y243 WeakPolarHBondContact O-CB 3.35Å; Q238-Y243 PolarHBondContact O-N 3.31Å; Q238-Y243 VanDerWaalsContact O-N 3.1Å; Q238-F250 HydrophobicContact CG-CE1 4.36Å; Q238-F250 HydrophobicContact CG-CZ 4.36Å
239T88.9Confident90.5Very high110 Ų11070 Ų7068%0.67537%0.373SS*.Hα-helixtrans-68-42.1177.3-56.20000112.2A235 L237 A241 G242A235-T239 PolarHBondContact O-N 3.13Å; A235-T239 PolarHBondContact O-OG1 2.92Å; L237-T239 VanDerWaalsContact C-N 3.32Å; L237-T239 PolarHBondContact O-N 3.28Å; T239-A241 VanDerWaalsContact C-N 3.3Å; T239-A241 PolarHBondContact O-N 3.05Å; T239-G242 PolarHBondContact O-N 2.8Å; T239-G242 VanDerWaalsContact O-N 3.14Å
240Q91.1Very high90.5Very high122 Ų12267.9 Ų67.957%0.5736%0.364SS*.Hα-helixtrans-64-34.4179-72.2171.211.100113P236 L237 G242P236-Q240 WeakPolarHBondContact O-CG 3.46Å; P236-Q240 PolarHBondContact O-N 3.07Å; L237-Q240 PolarHBondContact O-N 3.07Å; Q240-G242 PolarHBondContact O-N 2.73Å
241A92.7Very high90.5Very high0 Ų064 Ų640%035%0.351CS..THydrogen-bonded Turntrans-81.24177.700000113.7L232 L237 T239 F250 L255 W258L232-A241 HydrophobicContact CD2-CB 3.55Å; L237-A241 WeakPolarHBondContact O-CB 3.14Å; L237-A241 PolarHBondContact O-N 3.13Å; T239-A241 VanDerWaalsContact C-N 3.3Å; T239-A241 PolarHBondContact O-N 3.05Å; A241-F250 HydrophobicContact CB-CD1 3.98Å; A241-F250 HydrophobicContact CB-CE1 3.94Å; A241-L255 HydrophobicContact CB-CD1 4.11Å; A241-L255 PolarHBondContact O-N 3.01Å; A241-W258 HydrophobicContact CB-CB 4.33Å; A241-W258 HydrophobicContact CB-CD2 4.11Å; A241-W258 HydrophobicContact CB-CE3 4.46Å; A241-W258 HydrophobicContact CB-CG 4.02Å
242G92.9Very high90.6Very high20 Ų2064.2 Ų64.221%0.20635%0.352CS..THydrogen-bonded Turntrans76.739.3175.700000114.7T239 Q240 S251T239-G242 PolarHBondContact O-N 2.8Å; T239-G242 VanDerWaalsContact O-N 3.14Å; Q240-G242 PolarHBondContact O-N 2.73Å; G242-S251 PolarHBondContact O-N 3.47Å
243Y94.1Very high90.6Very high48 Ų4868.9 Ų68.919%0.18837%0.374CS..EExtended strand (participates in β ladder)trans-71.6132.7173.7-175.1-105.2000112.9L205 Q238 K245 R248 S249 F250L205-Y243 HydrophobicContact CD2-CE2 4.26Å; Q238-Y243 VanDerWaalsContact CD-CD1 3.41Å; Q238-Y243 HydrophobicContact CG-CD1 3.52Å; Q238-Y243 HydrophobicContact CG-CD2 4.08Å; Q238-Y243 HydrophobicContact CG-CE1 4.32Å; Q238-Y243 HydrophobicContact CG-CG 3.36Å; Q238-Y243 VanDerWaalsContact NE2-CZ 3.29Å; Q238-Y243 WeakPolarHBondContact O-CB 3.35Å; Q238-Y243 PolarHBondContact O-N 3.31Å; Q238-Y243 VanDerWaalsContact O-N 3.1Å; Y243-K245 HydrophobicContact CD1-CG 4.32Å; Y243-K245 HydrophobicContact CE1-CG 4.14Å; Y243-R248 WeakPolarHBondContact OH-CA 3.24Å; Y243-S249 WeakPolarHBondContact CD2-O 3.49Å; Y243-F250 HydrophobicContact CD2-CD1 4.13Å; Y243-F250 AromaticContact CD2-CD2 3.88Å; Y243-F250 HydrophobicContact CD2-CD2 3.88Å; Y243-F250 AromaticContact CD2-CE1 3.88Å; Y243-F250 HydrophobicContact CD2-CE1 3.88Å; Y243-F250 AromaticContact CD2-CE2 3.59Å; Y243-F250 HydrophobicContact CD2-CE2 3.59Å; Y243-F250 HydrophobicContact CD2-CG 4.13Å; Y243-F250 AromaticContact CD2-CZ 3.59Å; Y243-F250 HydrophobicContact CD2-CZ 3.59Å; Y243-F250 HydrophobicContact CE2-CE2 4.11Å; Y243-F250 HydrophobicContact CE2-CZ 4.38Å; Y243-F250 HydrophobicContact CG-CE1 4.19Å; Y243-F250 HydrophobicContact CG-CZ 4.24Å
244S92.4Very high90.8Very high43 Ų4368 Ų6830%0.30137%0.366SS..EExtended strand (participates in β ladder)trans-98.7117.9170.11790000110.7L246 G247 R248 S249S244-L246 VanDerWaalsContact C-N 3.26Å; S244-L246 PolarHBondContact O-N 3.2Å; S244-G247 PolarHBondContact OG-N 3.23Å; S244-R248 WeakPolarHBondContact O-CA 3.39Å; S244-R248 PolarHBondContact O-N 3.03Å; S244-S249 PolarHBondContact N-O 2.68Å; S244-S249 PolarHBondContact O-N 3.1Å
245K88.8Confident91.1Very high181 Ų18163.4 Ų63.479%0.78735%0.349SS*.THydrogen-bonded Turntrans-63.6-32.7173.8-68.7-176.3179.4179.90112.5Y243Y243-K245 HydrophobicContact CD1-CG 4.32Å; Y243-K245 HydrophobicContact CE1-CG 4.14Å
246L87.3Confident91.8Very high172 Ų17260.6 Ų60.690%0.90132%0.324SS*.THydrogen-bonded Turntrans-69.8-48.1-178.7-174.471.1000111.2S244S244-L246 VanDerWaalsContact C-N 3.26Å; S244-L246 PolarHBondContact O-N 3.2Å
247G83.1Confident92.2Very high47 Ų4758.6 Ų58.649%0.48532%0.315SS..THydrogen-bonded Turntrans-85.9-6.8-179.200000114.5S244 S249S244-G247 PolarHBondContact OG-N 3.23Å; G247-S249 PolarHBondContact O-N 2.6Å; G247-S249 VanDerWaalsContact O-N 3.17Å; G247-S249 PolarHBondContact O-OG 2.83Å
248R91.4Very high92.5Very high174 Ų17459 Ų5966%0.65732%0.316SS*.THydrogen-bonded Turntrans49.335.1-171.6-60.6178.465.7-177.5-1.3113L205 Y243 S244L205-R248 WeakPolarHBondContact CG-O 3.37Å; Y243-R248 WeakPolarHBondContact OH-CA 3.24Å; S244-R248 WeakPolarHBondContact O-CA 3.39Å; S244-R248 PolarHBondContact O-N 3.03Å
249S93.9Very high92.8Very high14 Ų1457.2 Ų57.210%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-142.3166.2-170.957.80000111.3V203 Y243 S244 G247V203-S249 WeakPolarHBondContact O-CB 3.43Å; Y243-S249 WeakPolarHBondContact CD2-O 3.49Å; S244-S249 PolarHBondContact N-O 2.68Å; S244-S249 PolarHBondContact O-N 3.1Å; G247-S249 PolarHBondContact O-N 2.6Å; G247-S249 VanDerWaalsContact O-N 3.17Å; G247-S249 PolarHBondContact O-OG 2.83Å
250F94.9Very high93.1Very high0 Ų058.3 Ų58.30%030%0.299CS..EExtended strand (participates in β ladder)trans-102.9135.3176.7-67.1-95000110.2Q202 V203 L205 L208 L232 Q238 A241 Y243 L252 L255Q202-F250 CarbonylContact C-O 3.49Å; Q202-F250 VanDerWaalsContact CA-O 3.3Å; Q202-F250 WeakPolarHBondContact CA-O 3.46Å; Q202-F250 VanDerWaalsContact OE1-C 3.31Å; Q202-F250 PolarHBondContact OE1-O 2.82Å; V203-F250 HydrophobicContact CB-CB 4.49Å; V203-F250 PolarHBondContact N-O 2.84Å; V203-F250 PolarHBondContact O-N 2.79Å; L205-F250 HydrophobicContact CD2-CE2 3.91Å; L208-F250 HydrophobicContact CD2-CD2 4.08Å; L208-F250 HydrophobicContact CD2-CE2 3.51Å; L208-F250 HydrophobicContact CD2-CZ 4.01Å; L232-F250 HydrophobicContact CB-CE1 4.35Å; L232-F250 HydrophobicContact CB-CZ 3.98Å; Q238-F250 HydrophobicContact CG-CE1 4.36Å; Q238-F250 HydrophobicContact CG-CZ 4.36Å; A241-F250 HydrophobicContact CB-CD1 3.98Å; A241-F250 HydrophobicContact CB-CE1 3.94Å; Y243-F250 HydrophobicContact CD2-CD1 4.13Å; Y243-F250 AromaticContact CD2-CD2 3.88Å; Y243-F250 HydrophobicContact CD2-CD2 3.88Å; Y243-F250 AromaticContact CD2-CE1 3.88Å; Y243-F250 HydrophobicContact CD2-CE1 3.88Å; Y243-F250 AromaticContact CD2-CE2 3.59Å; Y243-F250 HydrophobicContact CD2-CE2 3.59Å; Y243-F250 HydrophobicContact CD2-CG 4.13Å; Y243-F250 AromaticContact CD2-CZ 3.59Å; Y243-F250 HydrophobicContact CD2-CZ 3.59Å; Y243-F250 HydrophobicContact CE2-CE2 4.11Å; Y243-F250 HydrophobicContact CE2-CZ 4.38Å; Y243-F250 HydrophobicContact CG-CE1 4.19Å; Y243-F250 HydrophobicContact CG-CZ 4.24Å; F250-L252 PolarHBondContact O-N 2.98Å; F250-L255 HydrophobicContact CB-CB 4.28Å; F250-L255 HydrophobicContact CB-CD2 3.99Å; F250-L255 HydrophobicContact CD1-CD1 4.43Å; F250-L255 HydrophobicContact CG-CD2 4.49Å
251S94.8Very high93.3Very high36 Ų3660.1 Ų60.125%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-67.8131.1169.9-64.70000110.1Q202 G242 H253 P254 L255Q202-S251 PolarHBondContact NE2-OG 3.2Å; Q202-S251 VanDerWaalsContact NE2-OG 3.08Å; Q202-S251 VanDerWaalsContact OE1-CA 3.25Å; Q202-S251 VanDerWaalsContact OE1-N 3.16Å; Q202-S251 PolarHBondContact OE1-OG 3.29Å; G242-S251 PolarHBondContact O-N 3.47Å; S251-H253 PolarHBondContact O-N 3.15Å; S251-P254 WeakPolarHBondContact O-CD 3.47Å; S251-L255 WeakPolarHBondContact O-CB 3.42Å; S251-L255 PolarHBondContact O-N 2.85Å; S251-L255 VanDerWaalsContact O-N 3.08Å
252L94.3Very high93.4Very high4 Ų460.6 Ų60.62%0.02131%0.312CS..Hα-helixtrans-57.2-48.8-170.6179.876.9000112.5L182 V186 A197 S201 V203 F250 L255 L256L182-L252 HydrophobicContact CB-CD1 3.65Å; L182-L252 HydrophobicContact CD1-CD1 4.24Å; V186-L252 HydrophobicContact CG2-CD1 3.84Å; A197-L252 HydrophobicContact CB-CD2 3.14Å; S201-L252 VanDerWaalsContact O-CB 3.23Å; S201-L252 WeakPolarHBondContact O-CB 3.4Å; S201-L252 PolarHBondContact O-N 2.71Å; V203-L252 HydrophobicContact CG2-CB 4.34Å; V203-L252 HydrophobicContact CG2-CD1 3.54Å; F250-L252 PolarHBondContact O-N 2.98Å; L252-L255 PolarHBondContact O-N 3.23Å; L252-L256 VanDerWaalsContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 3.03Å
253H93.4Very high93.5Very high100 Ų10060.3 Ų60.346%0.46331%0.306SS..Hα-helixtrans-66.9-49-175.3-72.1-61.7000113.3S251 L255 L256 A257S251-H253 PolarHBondContact O-N 3.15Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 3.29Å; H253-L256 PolarHBondContact O-N 3.02Å; H253-A257 WeakPolarHBondContact O-CB 3.36Å; H253-A257 PolarHBondContact O-N 3.14Å
254P95.3Very high93.5Very high56 Ų5660.6 Ų60.636%0.36431%0.312SS..Hα-helixtrans-55.5-44.4171-29.536.6000113.4S251 A257 W258S251-P254 WeakPolarHBondContact O-CD 3.47Å; P254-A257 PolarHBondContact O-N 2.75Å; P254-W258 WeakPolarHBondContact O-CB 3.46Å; P254-W258 PolarHBondContact O-N 2.99Å
255L95.7Very high93.6Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-63-45.6179178.263.4000111.7L182 V203 L232 A241 F250 S251 L252 H253 A257 W258 L259L182-L255 HydrophobicContact CD2-CD2 4.37Å; V203-L255 HydrophobicContact CB-CD2 3.98Å; V203-L255 HydrophobicContact CG1-CD2 4.05Å; V203-L255 HydrophobicContact CG2-CD2 4.05Å; L232-L255 HydrophobicContact CD1-CD1 3.76Å; A241-L255 HydrophobicContact CB-CD1 4.11Å; A241-L255 PolarHBondContact O-N 3.01Å; F250-L255 HydrophobicContact CB-CB 4.28Å; F250-L255 HydrophobicContact CB-CD2 3.99Å; F250-L255 HydrophobicContact CD1-CD1 4.43Å; F250-L255 HydrophobicContact CG-CD2 4.49Å; S251-L255 WeakPolarHBondContact O-CB 3.42Å; S251-L255 PolarHBondContact O-N 2.85Å; S251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 3.23Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 3.29Å; L255-A257 PolarHBondContact O-N 2.9Å; L255-W258 PolarHBondContact O-N 2.86Å; L255-L259 HydrophobicContact CD1-CD1 4.08Å; L255-L259 HydrophobicContact CD1-CG 4.18Å; L255-L259 HydrophobicContact CG-CD1 3.96Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 3.34Å
256L95.6Very high93.8Very high10 Ų1053 Ų535%0.05228%0.281CS..Hα-helixtrans-60.4-45.1177.2174.862.7000111.5L178 C179 L182 L252 H253 L259 R260L178-L256 HydrophobicContact CB-CD1 4.06Å; L178-L256 HydrophobicContact CD2-CD1 3.7Å; L178-L256 HydrophobicContact CG-CD1 3.66Å; C179-L256 HydrophobicContact CB-CD1 4.44Å; C179-L256 HydrophobicContact CB-CD2 4.15Å; L182-L256 HydrophobicContact CD1-CB 3.88Å; L182-L256 HydrophobicContact CD1-CD1 3.91Å; L182-L256 HydrophobicContact CD1-CG 4.46Å; L252-L256 VanDerWaalsContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 3.03Å; H253-L256 PolarHBondContact O-N 3.02Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-R260 HydrophobicContact CD1-CG 4.41Å; L256-R260 WeakPolarHBondContact O-CG 3.25Å; L256-R260 PolarHBondContact O-N 3.19Å
257A95.6Very high94Very high44 Ų4447.1 Ų47.136%0.36425%0.252SS..Hα-helixtrans-63-45.1177.800000111.4H253 P254 L255 R260 Q261H253-A257 WeakPolarHBondContact O-CB 3.36Å; H253-A257 PolarHBondContact O-N 3.14Å; P254-A257 PolarHBondContact O-N 2.75Å; L255-A257 PolarHBondContact O-N 2.9Å; A257-R260 PolarHBondContact O-N 2.79Å; A257-Q261 WeakPolarHBondContact O-CG 3.28Å; A257-Q261 PolarHBondContact O-N 2.77Å; A257-Q261 VanDerWaalsContact O-N 3.14Å
258W95.9Very high94.5Very high19 Ų1945.8 Ų45.87%0.07223%0.233CC..Hα-helixtrans-61.6-47.5177.3-176.290.3000111.8V7 V9 I228 L232 A241 P254 L255 R260 Q261 A262V7-W258 HydrophobicContact CG1-CH2 4.13Å; V7-W258 HydrophobicContact CG1-CZ2 4.06Å; V9-W258 HydrophobicContact CG2-CH2 3.85Å; V9-W258 HydrophobicContact CG2-CZ3 3.99Å; I228-W258 HydrophobicContact CD1-CH2 4.44Å; I228-W258 HydrophobicContact CD1-CZ3 4.15Å; L232-W258 HydrophobicContact CD1-CZ3 4.18Å; L232-W258 HydrophobicContact CD2-CD2 4.3Å; L232-W258 HydrophobicContact CD2-CE3 4Å; L232-W258 HydrophobicContact CD2-CH2 3.64Å; L232-W258 HydrophobicContact CD2-CZ2 3.93Å; L232-W258 HydrophobicContact CD2-CZ3 3.67Å; L232-W258 HydrophobicContact CG-CH2 4.26Å; L232-W258 HydrophobicContact CG-CZ3 4.14Å; A241-W258 HydrophobicContact CB-CB 4.33Å; A241-W258 HydrophobicContact CB-CD2 4.11Å; A241-W258 HydrophobicContact CB-CE3 4.46Å; A241-W258 HydrophobicContact CB-CG 4.02Å; P254-W258 WeakPolarHBondContact O-CB 3.46Å; P254-W258 PolarHBondContact O-N 2.99Å; L255-W258 PolarHBondContact O-N 2.86Å; W258-R260 VanDerWaalsContact C-N 3.35Å; W258-R260 PolarHBondContact O-N 2.85Å; W258-Q261 PolarHBondContact O-N 3.43Å; W258-Q261 VanDerWaalsContact O-N 3.16Å; W258-A262 HydrophobicContact CE3-CB 4.38Å; W258-A262 HydrophobicContact CH2-CB 4.13Å; W258-A262 HydrophobicContact CZ2-CB 4.29Å; W258-A262 HydrophobicContact CZ3-CB 4.18Å; W258-A262 WeakPolarHBondContact O-CB 3.24Å; W258-A262 PolarHBondContact O-N 2.85Å
259L96.1Very high94.5Very high2 Ų237.5 Ų37.51%0.0120%0.202CC..Hα-helixtrans-60.7-43.1178.2-76.3169.1000111.5V9 L178 L182 L211 L215 I228 L255 L256 Q261 A262 L263V9-L259 HydrophobicContact CG1-CD2 4.48Å; L178-L259 HydrophobicContact CD1-CD1 4.33Å; L178-L259 HydrophobicContact CD2-CB 3.72Å; L182-L259 HydrophobicContact CD1-CD1 4.24Å; L182-L259 HydrophobicContact CD2-CD1 4.34Å; L211-L259 HydrophobicContact CD2-CD1 4.03Å; L215-L259 HydrophobicContact CD1-CD2 4.14Å; I228-L259 HydrophobicContact CD1-CD2 4.25Å; I228-L259 HydrophobicContact CG1-CD2 4.27Å; L255-L259 HydrophobicContact CD1-CD1 4.08Å; L255-L259 HydrophobicContact CD1-CG 4.18Å; L255-L259 HydrophobicContact CG-CD1 3.96Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 3.34Å; L256-L259 PolarHBondContact O-N 2.93Å; L259-Q261 VanDerWaalsContact C-N 3.27Å; L259-Q261 PolarHBondContact O-N 3.3Å; L259-A262 PolarHBondContact O-N 2.86Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 2.83Å
260R95.8Very high94.3Very high132 Ų13238 Ų3850%0.49820%0.203SC..Hα-helixtrans-60.2-36.7176.4-77.1178.6172.4157.4-1112.8L178 L256 A257 W258L178-R260 HydrophobicContact CD2-CG 3.95Å; L256-R260 HydrophobicContact CD1-CG 4.41Å; L256-R260 WeakPolarHBondContact O-CG 3.25Å; L256-R260 PolarHBondContact O-N 3.19Å; A257-R260 PolarHBondContact O-N 2.79Å; W258-R260 VanDerWaalsContact C-N 3.35Å; W258-R260 PolarHBondContact O-N 2.85Å
261Q94.5Very high94Very high161 Ų16140.6 Ų40.675%0.75222%0.221SC*.Hα-helixtrans-74.5-36.3178-69.9172.46.200112.2A257 W258 L259A257-Q261 WeakPolarHBondContact O-CG 3.28Å; A257-Q261 PolarHBondContact O-N 2.77Å; A257-Q261 VanDerWaalsContact O-N 3.14Å; W258-Q261 PolarHBondContact O-N 3.43Å; W258-Q261 VanDerWaalsContact O-N 3.16Å; L259-Q261 VanDerWaalsContact C-N 3.27Å; L259-Q261 PolarHBondContact O-N 3.3Å
262A94.6Very high93.8Very high10 Ų1040.8 Ų40.88%0.08322%0.221CC..Hα-helixtrans-84.4-15.9-177.200000114.1V9 W258 L259 V264V9-A262 HydrophobicContact CB-CB 4.26Å; V9-A262 HydrophobicContact CG2-CB 3.94Å; V9-A262 PolarHBondContact N-O 2.95Å; W258-A262 HydrophobicContact CE3-CB 4.38Å; W258-A262 HydrophobicContact CH2-CB 4.13Å; W258-A262 HydrophobicContact CZ2-CB 4.29Å; W258-A262 HydrophobicContact CZ3-CB 4.18Å; W258-A262 WeakPolarHBondContact O-CB 3.24Å; W258-A262 PolarHBondContact O-N 2.85Å; L259-A262 PolarHBondContact O-N 2.86Å; A262-V264 PolarHBondContact O-N 3.33Å
263L95.9Very high93.6Very high14 Ų1440.7 Ų40.77%0.07322%0.221CC..BIsolated β-bridgetrans-74.8121.6-173.1-166.169.5000112.2V9 L171 L174 Q175 L215 L259V9-L263 HydrophobicContact CG1-CD1 4.23Å; V9-L263 CarbonylContact O-C 3.55Å; V9-L263 VanDerWaalsContact O-CA 3.27Å; V9-L263 WeakPolarHBondContact O-CA 3.5Å; L171-L263 HydrophobicContact CD1-CD1 4.41Å; L171-L263 HydrophobicContact CD1-CD2 3.71Å; L171-L263 HydrophobicContact CD1-CG 3.54Å; L174-L263 HydrophobicContact CB-CD2 4.14Å; Q175-L263 HydrophobicContact CG-CD2 3.76Å; L215-L263 HydrophobicContact CD2-CD1 3.74Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 2.83Å
264V94.9Very high93.3Very high53 Ų5340.4 Ų40.432%0.32122%0.222SC..  trans-130.7166.7-177.6-60.10000111.4A8 V9 W10 P11 A262A8-V264 HydrophobicContact CB-CG2 3.77Å; V9-V264 WeakPolarHBondContact O-CG2 3.47Å; V9-V264 PolarHBondContact O-N 2.92Å; W10-V264 HydrophobicContact CB-CG2 4.35Å; W10-V264 VanDerWaalsContact CB-O 3.31Å; W10-V264 WeakPolarHBondContact CB-O 3.4Å; W10-V264 HydrophobicContact CE3-CG2 4.39Å; P11-V264 WeakPolarHBondContact CD-O 3.48Å; A262-V264 PolarHBondContact O-N 3.33Å
265P92.9Very high93Very high65 Ų6547.8 Ų47.842%0.42224%0.242SC..  trans-58.9149.6172-22.632.5000112.5L171 P267L171-P265 HydrophobicContact CD2-CB 4.25Å; L171-P265 HydrophobicContact CD2-CG 3.69Å; P265-P267 WeakPolarHBondContact O-CD 3.22Å
266N93.3Very high92.5Very high1 Ų151.9 Ų51.91%0.00527%0.271CS..  trans-66.4120.4-179.5-172.6-38.1000111W10 P11 M13 F268 G269 T272W10-N266 HydrophobicContact CB-CB 4.39Å; W10-N266 HydrophobicContact CG-CB 4.39Å; P11-N266 PolarHBondContact O-ND2 3.02Å; M13-N266 WeakPolarHBondContact CG-ND2 3.33Å; N266-F268 PolarHBondContact O-N 3.01Å; N266-F268 WeakPolarHBondContact OD1-CA 3.45Å; N266-F268 WeakPolarHBondContact OD1-CB 3.31Å; N266-F268 PolarHBondContact OD1-N 3.4Å; N266-G269 PolarHBondContact O-N 3.13Å; N266-G269 VanDerWaalsContact O-N 3.14Å; N266-G269 PolarHBondContact OD1-N 3.48Å; N266-T272 PolarHBondContact O-OG1 3.47Å
267P93.1Very high92.1Very high47 Ų4752 Ų5231%0.30528%0.275SS..THydrogen-bonded Turntrans-69.8-11-178.929.6-35000113.8W10 P265 T272W10-P267 VanDerWaalsContact CD2-CD 3.4Å; W10-P267 HydrophobicContact CD2-CG 3.91Å; W10-P267 HydrophobicContact CE3-CG 4.08Å; W10-P267 HydrophobicContact CH2-CG 4.11Å; W10-P267 HydrophobicContact CZ2-CG 3.95Å; W10-P267 HydrophobicContact CZ3-CG 4.18Å; P265-P267 WeakPolarHBondContact O-CD 3.22Å; P267-T272 WeakPolarHBondContact O-CB 3.22Å; P267-T272 WeakPolarHBondContact O-CG2 3.32Å
268F93Very high91.8Very high20 Ų2055.5 Ų55.59%0.08828%0.282CS..THydrogen-bonded Turntrans-111.85.4176.5-49.8-69.6000112.8W10 G222 V225 N266 N298 A302 P303W10-F268 HydrophobicContact CZ2-CD2 4.48Å; W10-F268 AromaticContact CZ2-CE2 3.92Å; W10-F268 HydrophobicContact CZ2-CE2 3.92Å; G222-F268 WeakPolarHBondContact O-CZ 3.27Å; V225-F268 HydrophobicContact CG2-CE2 3.69Å; V225-F268 HydrophobicContact CG2-CZ 4.02Å; N266-F268 PolarHBondContact O-N 3.01Å; N266-F268 WeakPolarHBondContact OD1-CA 3.45Å; N266-F268 WeakPolarHBondContact OD1-CB 3.31Å; N266-F268 PolarHBondContact OD1-N 3.4Å; F268-N298 PolarHBondContact O-ND2 3.32Å; F268-N298 VanDerWaalsContact O-ND2 3.1Å; F268-A302 HydrophobicContact CB-CB 4.49Å; F268-A302 HydrophobicContact CD1-CB 3.87Å; F268-A302 HydrophobicContact CG-CB 4.38Å; F268-P303 HydrophobicContact CD2-CG 4.39Å; F268-P303 HydrophobicContact CE2-CG 4.18Å; F268-P303 HydrophobicContact CZ-CG 4.42Å
269G90.9Very high91.4Very high0 Ų062.3 Ų62.30%031%0.312CS..SBendtrans-71.7178.2-18000000114.4N266 S271 T272 C273N266-G269 PolarHBondContact O-N 3.13Å; N266-G269 VanDerWaalsContact O-N 3.14Å; N266-G269 PolarHBondContact OD1-N 3.48Å; G269-S271 PolarHBondContact O-N 2.99Å; G269-T272 PolarHBondContact O-N 3.22Å; G269-C273 PolarHBondContact O-N 3.5Å
270M90.1Very high90.6Very high25 Ų2563.9 Ų63.912%0.12332%0.32CS..Hα-helixtrans-59.8-45.3-176.7-169.9179.1-160.500113W165 T272 C273 L274 M308 L310 K332W165-M270 HydrophobicContact CB-SD 4.19Å; W165-M270 HydrophobicContact CE3-SD 4.45Å; W165-M270 WeakPolarHBondContact O-CB 3.49Å; M270-T272 VanDerWaalsContact C-N 3.3Å; M270-T272 PolarHBondContact O-N 3.1Å; M270-C273 PolarHBondContact O-N 3.44Å; M270-L274 HydrophobicContact CG-CD1 4.29Å; M270-L274 PolarHBondContact O-N 2.89Å; M270-M308 VanDerWaalsContact CA-CE 3.46Å; M270-M308 HydrophobicContact CB-CE 3.98Å; M270-M308 HydrophobicContact CG-CE 4.15Å; M270-L310 HydrophobicContact CE-CD1 3.54Å; M270-L310 HydrophobicContact CE-CD2 3.77Å; M270-L310 HydrophobicContact CE-CG 4.3Å; M270-K332 HydrophobicContact CE-CD 3.47Å; M270-K332 VanDerWaalsContact CE-CD 3.47Å; M270-K332 HydrophobicContact CE-CG 4.2Å; M270-K332 HydrophobicContact SD-CD 4.22Å
271S88.4Confident89.1Confident53 Ų5360.6 Ų60.637%0.37132%0.322SS..Hα-helixtrans-61.7-39.9-179.6-60.20000112D167 G269 R275D167-S271 WeakPolarHBondContact OD1-CB 3.31Å; D167-S271 PolarHBondContact OD1-N 2.95Å; D167-S271 VanDerWaalsContact OD1-N 3.15Å; D167-S271 PolarHBondContact OD1-OG 3.19Å; D167-S271 VanDerWaalsContact OD2-CB 3.3Å; D167-S271 WeakPolarHBondContact OD2-CB 3.42Å; D167-S271 PolarHBondContact OD2-N 3.39Å; D167-S271 PolarHBondContact OD2-OG 3.47Å; G269-S271 PolarHBondContact O-N 2.99Å; S271-R275 WeakPolarHBondContact O-CB 3.22Å; S271-R275 PolarHBondContact O-N 3.2Å; S271-R275 VanDerWaalsContact O-N 3.17Å
272T89.9Confident87.6Confident41 Ų4155.2 Ų55.225%0.25229%0.294SS..Hα-helixtrans-72.2-42.3178-53.90000111.8N266 P267 G269 M270 L274 R275 S276N266-T272 PolarHBondContact O-OG1 3.47Å; P267-T272 WeakPolarHBondContact O-CB 3.22Å; P267-T272 WeakPolarHBondContact O-CG2 3.32Å; G269-T272 PolarHBondContact O-N 3.22Å; M270-T272 VanDerWaalsContact C-N 3.3Å; M270-T272 PolarHBondContact O-N 3.1Å; T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.41Å; T272-R275 PolarHBondContact O-N 2.7Å; T272-R275 VanDerWaalsContact O-N 3.15Å; T272-S276 WeakPolarHBondContact CG2-OG 3.32Å; T272-S276 PolarHBondContact O-N 3.16Å; T272-S276 PolarHBondContact O-OG 3.15Å; T272-S276 VanDerWaalsContact O-OG 3.11Å
273C90.4Very high85.1Confident2 Ų258.6 Ų58.61%0.01432%0.323CS..Hα-helixtrans-59.6-39.8175.9-174.10000112.2G269 M270 G277 M308G269-C273 PolarHBondContact O-N 3.5Å; M270-C273 PolarHBondContact O-N 3.44Å; C273-G277 WeakPolarHBondContact O-CA 3.48Å; C273-G277 PolarHBondContact O-N 3.5Å; C273-M308 HydrophobicContact CB-CE 3.73Å; C273-M308 HydrophobicContact CB-CG 4Å; C273-M308 HydrophobicContact CB-SD 3.42Å; C273-M308 WeakPolarHBondContact CB-SD 3.24Å
274L88.3Confident82.7Confident94 Ų9462.6 Ų62.649%0.49234%0.341SS..Hα-helixtrans-65.1-40174.6-84.6168.2000113.3M270 T272 L310M270-L274 HydrophobicContact CG-CD1 4.29Å; M270-L274 PolarHBondContact O-N 2.89Å; T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.41Å; L274-L310 HydrophobicContact CD1-CD2 3.88Å; L274-L310 HydrophobicContact CD2-CD2 3.28Å; L274-L310 HydrophobicContact CG-CD2 3.44Å; L274-L310 VanDerWaalsContact CG-CD2 3.44Å
275R87.6Confident80.2Confident210 Ų21068.1 Ų68.179%0.79236%0.363SS*.Hα-helixtrans-77.1-49.1-175.2-172-174.9-59.4178.32.3112.6S271 T272S271-R275 WeakPolarHBondContact O-CB 3.22Å; S271-R275 PolarHBondContact O-N 3.2Å; S271-R275 VanDerWaalsContact O-N 3.17Å; T272-R275 PolarHBondContact O-N 2.7Å; T272-R275 VanDerWaalsContact O-N 3.15Å
276S86.1Confident77.8Confident87 Ų8769.3 Ų69.361%0.60837%0.369SS*.Hα-helixtrans-127.52.2-168.860.10000114.1T272T272-S276 WeakPolarHBondContact CG2-OG 3.32Å; T272-S276 PolarHBondContact O-N 3.16Å; T272-S276 PolarHBondContact O-OG 3.15Å; T272-S276 VanDerWaalsContact O-OG 3.11Å
277G87.6Confident75.1Confident13 Ų1379 Ų7913%0.13441%0.414CS..SBendtrans-65.3157.1174.700000112.1C273 K279 R297C273-G277 WeakPolarHBondContact O-CA 3.48Å; C273-G277 PolarHBondContact O-N 3.5Å; G277-K279 PolarHBondContact O-N 2.65Å; G277-K279 VanDerWaalsContact O-N 3.1Å; G277-R297 CarbonylContact C-O 3.6Å; G277-R297 WeakPolarHBondContact CA-O 3.27Å
278K89.4Confident73Confident116 Ų11679.6 Ų79.650%0.50443%0.429SS..EExtended strand (participates in β ladder)trans-68.6112.7175.8-172.2170.8-176.1168.40108.3R297K278-R297 HydrophobicContact CB-CG 4.25Å; K278-R297 PolarHBondContact N-O 3.31Å; K278-R297 PolarHBondContact O-N 2.87Å
279K86.4Confident70.8Confident163 Ų16384.2 Ų84.271%0.70947%0.47SS*.EExtended strand (participates in β ladder)trans-69.7130174.2-65.3-179.8-177.6175.10109.1G277 I295G277-K279 PolarHBondContact O-N 2.65Å; G277-K279 VanDerWaalsContact O-N 3.1Å; K279-I295 CarbonylContact C-O 3.55Å; K279-I295 WeakPolarHBondContact CA-O 3.37Å
280L78.6Confident69.2Low35 Ų3588.4 Ų88.418%0.18349%0.491CS..EExtended strand (participates in β ladder)trans-99.1120.4178-69.4173.1000109.4W282 I295 R297L280-W282 VanDerWaalsContact C-N 3.31Å; L280-W282 HydrophobicContact CD1-CZ2 3.86Å; L280-W282 VanDerWaalsContact CD1-NE1 3.33Å; L280-W282 PolarHBondContact O-N 3.49Å; L280-I295 HydrophobicContact CB-CB 4.03Å; L280-I295 HydrophobicContact CB-CG2 3.88Å; L280-I295 HydrophobicContact CD1-CG2 3.83Å; L280-I295 HydrophobicContact CG-CG2 4.36Å; L280-I295 PolarHBondContact N-O 3.3Å; L280-R297 HydrophobicContact CD1-CB 4.46Å; L280-R297 HydrophobicContact CD1-CG 3.97Å; L280-R297 HydrophobicContact CG-CG 4.15Å
281A65.8Low67.8Low63 Ų6396 Ų9652%0.52152%0.524SS..  trans-78.380.7161.500000108.2A283 R292A281-A283 PolarHBondContact O-N 2.7Å; A281-R292 VanDerWaalsContact CA-NH2 3.34Å
282W62.2Low66.7Low47 Ų47101.3 Ų101.318%0.17854%0.535CS..  trans-76.9104.5164.3-66.8-1.2000106L280 I295 M311 L319 K321 L343L280-W282 VanDerWaalsContact C-N 3.31Å; L280-W282 HydrophobicContact CD1-CZ2 3.86Å; L280-W282 VanDerWaalsContact CD1-NE1 3.33Å; L280-W282 PolarHBondContact O-N 3.49Å; W282-I295 HydrophobicContact CB-CD1 3.95Å; W282-I295 HydrophobicContact CD2-CD1 3.29Å; W282-I295 HydrophobicContact CE3-CD1 3.18Å; W282-I295 HydrophobicContact CG-CD1 3.69Å; W282-I295 HydrophobicContact CH2-CD1 4.33Å; W282-I295 HydrophobicContact CH2-CG2 4.42Å; W282-I295 HydrophobicContact CZ2-CD1 4.45Å; W282-I295 HydrophobicContact CZ2-CG2 4.08Å; W282-I295 HydrophobicContact CZ3-CD1 3.76Å; W282-M311 HydrophobicContact CE3-CE 4.16Å; W282-M311 HydrophobicContact CH2-CE 3.99Å; W282-M311 HydrophobicContact CH2-CG 4.39Å; W282-M311 HydrophobicContact CH2-SD 3.72Å; W282-M311 HydrophobicContact CZ3-CE 3.33Å; W282-M311 HydrophobicContact CZ3-CG 4.49Å; W282-M311 HydrophobicContact CZ3-SD 3.72Å; W282-L319 HydrophobicContact CB-CD2 4.36Å; W282-L319 HydrophobicContact CE3-CB 4.36Å; W282-L319 HydrophobicContact CE3-CD1 4.03Å; W282-L319 HydrophobicContact CE3-CD2 4.23Å; W282-L319 HydrophobicContact CE3-CG 4.46Å; W282-L319 HydrophobicContact CZ3-CD1 4.36Å; W282-K321 HydrophobicContact CH2-CB 4.33Å; W282-K321 HydrophobicContact CH2-CG 4.49Å; W282-K321 HydrophobicContact CZ2-CG 4.38Å; W282-K321 HydrophobicContact CZ3-CB 4.44Å; W282-L343 HydrophobicContact CH2-CD2 4.14Å; W282-L343 HydrophobicContact CZ3-CD2 4.21Å
283A42.2Very low66.1Low82 Ų8299.9 Ų99.968%0.67853%0.528SS*.  trans-88.7131.3-179.100000108.9A281A281-A283 PolarHBondContact O-N 2.7Å
284Q45.3Very low65.8Low97 Ų97106.1 Ų106.145%0.45356%0.555SS.*  trans-134.5122.9130.5-151.3161.6-24.500106.2V286Q284-V286 PolarHBondContact O-N 3.4Å
285Q42.9Very low65.9Low169 Ų169101.9 Ų101.979%0.7953%0.533SS*.  trans-67.397.2178-75.3-171.4-55.200108.1
286V41.5Very low66.1Low91 Ų9192.2 Ų92.255%0.55250%0.498SS*.  trans-96.1120.1159.6-173.20000105.6Q284 G288Q284-V286 PolarHBondContact O-N 3.4Å; V286-G288 PolarHBondContact O-N 2.85Å; V286-G288 VanDerWaalsContact O-N 3.07Å
287E36.5Very low66.4Low205 Ų20589 Ų8996%0.95847%0.472SS*.SBendtrans-58.5110.9170.8-99.3179.9158.100109.1
288G49.2Very low66.7Low59 Ų5988.8 Ų88.861%0.60847%0.468SS*.SBendtrans150.8151.2179.400000112.8V286 M290V286-G288 PolarHBondContact O-N 2.85Å; V286-G288 VanDerWaalsContact O-N 3.07Å; G288-M290 PolarHBondContact O-N 2.94Å
289A47.7Very low66.7Low116 Ų11684.2 Ų84.296%0.95945%0.45SS*.  trans-72.548.1179.800000113.4
290M56.5Low66.8Low89 Ų8981.5 Ų81.544%0.43844%0.439SS..PPolyproline II helixtrans-76.7136.6174.1-74.1-165.8175.100111G288 R292 R316G288-M290 PolarHBondContact O-N 2.94Å; M290-R292 PolarHBondContact O-N 2.79Å; M290-R316 HydrophobicContact CE-CB 4.27Å
291K60.9Low67.3Low185 Ų18584.2 Ų84.280%0.80446%0.457SS*.PPolyproline II helixtrans-62.3121175.8-75179.3179.9172.10109.3A293K291-A293 PolarHBondContact O-N 3.49Å
292R65.9Low68.5Low163 Ų16381.7 Ų81.762%0.61544%0.436SS*.PPolyproline II helixtrans-60.9132.9178.7-168.2-178.4-168.5162.215.4111.4A281 M290 K294A281-R292 VanDerWaalsContact CA-NH2 3.34Å; M290-R292 PolarHBondContact O-N 2.79Å; R292-K294 PolarHBondContact O-N 3.49Å
293A76.6Confident69.9Low11 Ų1181 Ų819%0.09144%0.438CS..PPolyproline II helixtrans-52.2135.2170.400000111.2K291 I295 V314K291-A293 PolarHBondContact O-N 3.49Å; A293-I295 HydrophobicContact CB-CD1 4.3Å; A293-I295 HydrophobicContact CB-CG1 4.26Å; A293-V314 HydrophobicContact CB-CG2 3.94Å
294K85.3Confident71.9Confident133 Ų13382.7 Ų82.758%0.57844%0.442SS*.EExtended strand (participates in β ladder)trans-95.9102.5178.9-67.5179.9-176.6163.30109.1R292 S312R292-K294 PolarHBondContact O-N 3.49Å; K294-S312 PolarHBondContact N-O 3.26Å; K294-S312 PolarHBondContact O-N 3.35Å
295I88.9Confident73.8Confident6 Ų678.6 Ų78.63%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-119.4125.2-178.7-50.9179.4000109.5K279 L280 W282 A293 V309 L310 M311 L319K279-I295 CarbonylContact C-O 3.55Å; K279-I295 WeakPolarHBondContact CA-O 3.37Å; L280-I295 HydrophobicContact CB-CB 4.03Å; L280-I295 HydrophobicContact CB-CG2 3.88Å; L280-I295 HydrophobicContact CD1-CG2 3.83Å; L280-I295 HydrophobicContact CG-CG2 4.36Å; L280-I295 PolarHBondContact N-O 3.3Å; W282-I295 HydrophobicContact CB-CD1 3.95Å; W282-I295 HydrophobicContact CD2-CD1 3.29Å; W282-I295 HydrophobicContact CE3-CD1 3.18Å; W282-I295 HydrophobicContact CG-CD1 3.69Å; W282-I295 HydrophobicContact CH2-CD1 4.33Å; W282-I295 HydrophobicContact CH2-CG2 4.42Å; W282-I295 HydrophobicContact CZ2-CD1 4.45Å; W282-I295 HydrophobicContact CZ2-CG2 4.08Å; W282-I295 HydrophobicContact CZ3-CD1 3.76Å; A293-I295 HydrophobicContact CB-CD1 4.3Å; A293-I295 HydrophobicContact CB-CG1 4.26Å; I295-V309 HydrophobicContact CG2-CG1 4.4Å; I295-L310 CarbonylContact C-O 3.59Å; I295-L310 VanDerWaalsContact CA-O 3.24Å; I295-L310 WeakPolarHBondContact CA-O 3.36Å; I295-M311 HydrophobicContact CD1-CE 4.43Å; I295-M311 HydrophobicContact CD1-CG 4.45Å; I295-M311 HydrophobicContact CG1-CG 4.28Å; I295-M311 HydrophobicContact CG2-CG 4.03Å; I295-L319 HydrophobicContact CD1-CD1 4.21Å
296A91.7Very high76.1Confident7 Ų771.2 Ų71.26%0.05839%0.393CS..EExtended strand (participates in β ladder)trans-131.8143.9179.700000110.4L310A296-L310 PolarHBondContact N-O 3.41Å; A296-L310 PolarHBondContact O-N 3.05Å
297R93.1Very high78.6Confident20 Ų2069.9 Ų69.98%0.07538%0.38CS..EExtended strand (participates in β ladder)trans-142.2151177.566.4172.9-171.295.9-2.6112.9G277 K278 L280 T299 M308 V309G277-R297 CarbonylContact C-O 3.6Å; G277-R297 WeakPolarHBondContact CA-O 3.27Å; K278-R297 HydrophobicContact CB-CG 4.25Å; K278-R297 PolarHBondContact N-O 3.31Å; K278-R297 PolarHBondContact O-N 2.87Å; L280-R297 HydrophobicContact CD1-CB 4.46Å; L280-R297 HydrophobicContact CD1-CG 3.97Å; L280-R297 HydrophobicContact CG-CG 4.15Å; R297-T299 HydrophobicContact CB-CG2 4.49Å; R297-T299 PolarHBondContact NH1-OG1 3.41Å; R297-M308 WeakPolarHBondContact CA-O 3.34Å; R297-V309 HydrophobicContact CB-CG2 4.03Å
298N93.7Very high81.3Confident7 Ų760.6 Ų60.64%0.03734%0.337CS..  trans-114.55.7170.575.5-5.1000112.7F268 H300 T301 A302 S306 M308F268-N298 PolarHBondContact O-ND2 3.32Å; F268-N298 VanDerWaalsContact O-ND2 3.1Å; N298-H300 PolarHBondContact O-N 3.25Å; N298-T301 PolarHBondContact O-N 3.45Å; N298-T301 PolarHBondContact O-OG1 3.41Å; N298-A302 HydrophobicContact CB-CB 4.35Å; N298-A302 WeakPolarHBondContact ND2-CB 3.45Å; N298-A302 PolarHBondContact O-N 2.9Å; N298-S306 PolarHBondContact ND2-O 2.98Å; N298-S306 VanDerWaalsContact ND2-O 3.13Å; N298-M308 HydrophobicContact CB-CG 4.45Å; N298-M308 VanDerWaalsContact CG-CG 3.47Å; N298-M308 PolarHBondContact N-O 2.74Å; N298-M308 WeakPolarHBondContact ND2-CG 3.45Å; N298-M308 WeakPolarHBondContact OD1-CG 3.49Å; N298-M308 PolarHBondContact OD1-N 2.74Å; N298-M308 PolarHBondContact OD1-O 3.31Å
299T90.5Very high83.5Confident21 Ų2157.8 Ų57.813%0.12931%0.308CS..THydrogen-bonded Turntrans-59.5-11.3-169.5610000115.7R297 K307 V309 K325 A329R297-T299 HydrophobicContact CB-CG2 4.49Å; R297-T299 PolarHBondContact NH1-OG1 3.41Å; T299-K307 HydrophobicContact CG2-CB 4.09Å; T299-V309 HydrophobicContact CG2-CG2 3.76Å; T299-K325 PolarHBondContact OG1-O 3.47Å; T299-A329 HydrophobicContact CG2-CB 3.95Å
300H88.3Confident85.6Confident105 Ų10552.6 Ų52.649%0.48626%0.264SS..THydrogen-bonded Turntrans-87.6-17.917760.8-67.1000113.8N298N298-H300 PolarHBondContact O-N 3.25Å
301T89Confident87.3Confident92 Ų9248.3 Ų48.356%0.56424%0.243SC*.THydrogen-bonded Turntrans-125.6-23.9-175.448.70000112.9N298N298-T301 PolarHBondContact O-N 3.45Å; N298-T301 PolarHBondContact O-OG1 3.41Å
302A90.9Very high88.7Confident10 Ų1040.2 Ų40.28%0.08321%0.209CC..SBendtrans-76.6140.8-176.800000111.8F268 N298 S306 K307F268-A302 HydrophobicContact CB-CB 4.49Å; F268-A302 HydrophobicContact CD1-CB 3.87Å; F268-A302 HydrophobicContact CG-CB 4.38Å; N298-A302 HydrophobicContact CB-CB 4.35Å; N298-A302 WeakPolarHBondContact ND2-CB 3.45Å; N298-A302 PolarHBondContact O-N 2.9Å; A302-S306 WeakPolarHBondContact CB-O 3.48Å; A302-K307 HydrophobicContact CB-CG 4.47Å
303P90.4Very high89.7Confident34 Ų3436 Ų3622%0.22120%0.197CC..PPolyproline II helixtrans-65.4164.517229.9-35.7000111.2V225 F268 S306 K307V225-P303 HydrophobicContact CG2-CG 4.11Å; F268-P303 HydrophobicContact CD2-CG 4.39Å; F268-P303 HydrophobicContact CE2-CG 4.18Å; F268-P303 HydrophobicContact CZ-CG 4.42Å; P303-S306 PolarHBondContact O-N 3.03Å; P303-K307 PolarHBondContact O-N 3.12Å
304P86.1Confident90.2Very high116 Ų11635.5 Ų35.575%0.75319%0.192SC*.THydrogen-bonded Turntrans-48.4143.8169.1-25.935.1000112S306P304-S306 PolarHBondContact O-N 3.19Å; P304-S306 VanDerWaalsContact O-N 3.14Å
305G85.1Confident90.3Very high12 Ų1232.9 Ų32.912%0.12418%0.181CC..THydrogen-bonded Turntrans78.8-24.3-174.100000115.1N330G305-N330 PolarHBondContact O-ND2 3.12Å
306S91.2Very high90.1Very high13 Ų1339 Ų399%0.09120%0.204CC..  trans-106.30.5178.5-63.70000114.2N298 A302 P303 P304 M308N298-S306 PolarHBondContact ND2-O 2.98Å; N298-S306 VanDerWaalsContact ND2-O 3.13Å; A302-S306 WeakPolarHBondContact CB-O 3.48Å; P303-S306 PolarHBondContact O-N 3.03Å; P304-S306 PolarHBondContact O-N 3.19Å; P304-S306 VanDerWaalsContact O-N 3.14Å; S306-M308 PolarHBondContact O-N 3.28Å
307K93.9Very high89.6Confident64 Ų6440.4 Ų40.428%0.27821%0.209SC..  trans-61.5129.9171.6-70.5-178.8-176.5175.60109.4T299 A302 P303 A329 N330T299-K307 HydrophobicContact CG2-CB 4.09Å; A302-K307 HydrophobicContact CB-CG 4.47Å; P303-K307 PolarHBondContact O-N 3.12Å; K307-A329 HydrophobicContact CB-CB 4.19Å; K307-N330 PolarHBondContact O-N 3.45Å; K307-N330 PolarHBondContact O-ND2 3.24Å
308M92.7Very high89.1Confident10 Ų1040.1 Ų40.15%0.04921%0.21CC..EExtended strand (participates in β ladder)trans-143.6150.4177.969-178.1-6600113.6W165 M270 C273 R297 N298 S306 N330W165-M308 HydrophobicContact CZ3-CE 4.09Å; M270-M308 VanDerWaalsContact CA-CE 3.46Å; M270-M308 HydrophobicContact CB-CE 3.98Å; M270-M308 HydrophobicContact CG-CE 4.15Å; C273-M308 HydrophobicContact CB-CE 3.73Å; C273-M308 HydrophobicContact CB-CG 4Å; C273-M308 HydrophobicContact CB-SD 3.42Å; C273-M308 WeakPolarHBondContact CB-SD 3.24Å; R297-M308 WeakPolarHBondContact CA-O 3.34Å; N298-M308 HydrophobicContact CB-CG 4.45Å; N298-M308 VanDerWaalsContact CG-CG 3.47Å; N298-M308 PolarHBondContact N-O 2.74Å; N298-M308 WeakPolarHBondContact ND2-CG 3.45Å; N298-M308 WeakPolarHBondContact OD1-CG 3.49Å; N298-M308 PolarHBondContact OD1-N 2.74Å; N298-M308 PolarHBondContact OD1-O 3.31Å; S306-M308 PolarHBondContact O-N 3.28Å; M308-N330 WeakPolarHBondContact CA-O 3.2Å
309V94.4Very high88.7Confident0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-132.9123.9174.4-178.10000107.9I295 R297 T299 M311 L326 A329 N330 V331 K332I295-V309 HydrophobicContact CG2-CG1 4.4Å; R297-V309 HydrophobicContact CB-CG2 4.03Å; T299-V309 HydrophobicContact CG2-CG2 3.76Å; V309-M311 HydrophobicContact CG1-CG 4.28Å; V309-L326 HydrophobicContact CB-CD2 4.4Å; V309-L326 HydrophobicContact CG1-CD2 4.2Å; V309-L326 HydrophobicContact CG2-CD2 3.84Å; V309-A329 HydrophobicContact CG2-CB 4.06Å; V309-N330 PolarHBondContact N-O 3.15Å; V309-V331 HydrophobicContact CB-CG2 4.39Å; V309-V331 CarbonylContact O-C 3.58Å; V309-V331 VanDerWaalsContact O-CA 3.31Å; V309-V331 WeakPolarHBondContact O-CA 3.3Å; V309-K332 PolarHBondContact O-N 3.33Å
310L92.9Very high88.3Confident6 Ų641.8 Ų41.83%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-109.2124176.1175.961.1000108.8M270 L274 I295 A296 K332M270-L310 HydrophobicContact CE-CD1 3.54Å; M270-L310 HydrophobicContact CE-CD2 3.77Å; M270-L310 HydrophobicContact CE-CG 4.3Å; L274-L310 HydrophobicContact CD1-CD2 3.88Å; L274-L310 HydrophobicContact CD2-CD2 3.28Å; L274-L310 HydrophobicContact CG-CD2 3.44Å; L274-L310 VanDerWaalsContact CG-CD2 3.44Å; I295-L310 CarbonylContact C-O 3.59Å; I295-L310 VanDerWaalsContact CA-O 3.24Å; I295-L310 WeakPolarHBondContact CA-O 3.36Å; A296-L310 PolarHBondContact N-O 3.41Å; A296-L310 PolarHBondContact O-N 3.05Å; L310-K332 HydrophobicContact CD1-CB 3.82Å; L310-K332 HydrophobicContact CD1-CD 4.39Å; L310-K332 HydrophobicContact CD1-CG 3.75Å
311M91.8Very high88Confident0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-117.4120.2173.7-62.2174.960.800107.8W282 I295 V309 L319 V331 K332 I333 H334 I341 L343W282-M311 HydrophobicContact CE3-CE 4.16Å; W282-M311 HydrophobicContact CH2-CE 3.99Å; W282-M311 HydrophobicContact CH2-CG 4.39Å; W282-M311 HydrophobicContact CH2-SD 3.72Å; W282-M311 HydrophobicContact CZ3-CE 3.33Å; W282-M311 HydrophobicContact CZ3-CG 4.49Å; W282-M311 HydrophobicContact CZ3-SD 3.72Å; I295-M311 HydrophobicContact CD1-CE 4.43Å; I295-M311 HydrophobicContact CD1-CG 4.45Å; I295-M311 HydrophobicContact CG1-CG 4.28Å; I295-M311 HydrophobicContact CG2-CG 4.03Å; V309-M311 HydrophobicContact CG1-CG 4.28Å; M311-L319 HydrophobicContact CE-CD1 3.62Å; M311-V331 HydrophobicContact SD-CG1 4.43Å; M311-K332 PolarHBondContact N-O 2.99Å; M311-I333 CarbonylContact O-C 3.51Å; M311-I333 WeakPolarHBondContact O-CA 3.46Å; M311-H334 PolarHBondContact O-N 3.04Å; M311-I341 HydrophobicContact CE-CG2 3.96Å; M311-L343 HydrophobicContact CE-CD2 4.34Å; M311-L343 HydrophobicContact SD-CD1 3.95Å; M311-L343 HydrophobicContact SD-CD2 4Å
312S90.6Very high87.6Confident14 Ų1439.1 Ų39.110%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-140.3147.5179.6-164.70000112.8K294 V314 H334K294-S312 PolarHBondContact N-O 3.26Å; K294-S312 PolarHBondContact O-N 3.35Å; S312-V314 VanDerWaalsContact C-N 3.28Å; S312-V314 PolarHBondContact O-N 3.38Å; S312-H334 WeakPolarHBondContact CA-O 3.2Å; S312-H334 VanDerWaalsContact CB-O 3.32Å; S312-H334 WeakPolarHBondContact CB-O 3.42Å; S312-H334 PolarHBondContact OG-ND1 3.41Å; S312-H334 VanDerWaalsContact OG-ND1 3.12Å; S312-H334 PolarHBondContact OG-O 3.01Å
313Q86.7Confident87.1Confident76 Ų7639.7 Ų39.736%0.35521%0.211SC..  trans6038.5176.7-52.8-175.7-52.300112.6F315 H334 R335Q313-F315 PolarHBondContact O-N 3.48Å; Q313-H334 PolarHBondContact N-O 3.36Å; Q313-H334 VanDerWaalsContact N-O 3.17Å; Q313-R335 VanDerWaalsContact CA-O 3.26Å; Q313-R335 WeakPolarHBondContact CA-O 3.35Å; Q313-R335 HydrophobicContact CG-CB 4.47Å; Q313-R335 PolarHBondContact N-O 3.14Å
314V87.4Confident86.7Confident0 Ų045 Ų450%024%0.237CC..  trans-74.1118.9165.6-174.70000106.7A293 S312 Q317 L319 C336 S337 A339A293-V314 HydrophobicContact CB-CG2 3.94Å; S312-V314 VanDerWaalsContact C-N 3.28Å; S312-V314 PolarHBondContact O-N 3.38Å; V314-Q317 HydrophobicContact CG1-CB 4.02Å; V314-L319 HydrophobicContact CB-CD1 4.13Å; V314-L319 HydrophobicContact CG1-CD1 3.48Å; V314-L319 VanDerWaalsContact CG1-CD1 3.48Å; V314-L319 HydrophobicContact CG1-CG 3.93Å; V314-L319 HydrophobicContact CG2-CD1 3.48Å; V314-L319 VanDerWaalsContact CG2-CD1 3.48Å; V314-C336 HydrophobicContact CB-CB 4.08Å; V314-C336 CarbonylContact O-C 3.54Å; V314-C336 VanDerWaalsContact O-CA 3.24Å; V314-C336 WeakPolarHBondContact O-CA 3.27Å; V314-S337 PolarHBondContact O-N 3.24Å; V314-A339 HydrophobicContact CB-CB 4.42Å; V314-A339 HydrophobicContact CG1-CB 3.86Å
315F87.9Confident86.7Confident77 Ų7745.5 Ų45.534%0.33823%0.227SC..BIsolated β-bridgetrans-133.3127-174.7179.4-117.1000110.8Q313 Q317 S337 D338Q313-F315 PolarHBondContact O-N 3.48Å; F315-Q317 VanDerWaalsContact O-CG 3.32Å; F315-Q317 WeakPolarHBondContact O-CG 3.45Å; F315-Q317 PolarHBondContact O-N 3.15Å; F315-S337 VanDerWaalsContact CA-O 3.28Å; F315-S337 WeakPolarHBondContact CA-O 3.42Å; F315-S337 WeakPolarHBondContact CD2-O 3.42Å; F315-S337 WeakPolarHBondContact CD2-OG 3.04Å; F315-D338 HydrophobicContact CE2-CB 4.43Å; F315-D338 WeakPolarHBondContact CE2-OD2 3.48Å
316R83.6Confident86.9Confident134 Ų13445.1 Ų45.151%0.50622%0.223SC..SBendtrans52.140.9176.8-65.7-175.4177.7-170.5-3113.7M290 S337 D338M290-R316 HydrophobicContact CE-CB 4.27Å; R316-S337 PolarHBondContact N-O 3.31Å; R316-D338 WeakPolarHBondContact CA-O 3.4Å; R316-D338 HydrophobicContact CG-CB 3.74Å; R316-D338 PolarHBondContact N-O 3.45Å; R316-D338 IonicContact NE-OD2 3.03Å
317Q80.6Confident87Confident37 Ų3746 Ų4617%0.17323%0.23CC..  trans-139.1146.3-173-78.7171.5-2.800110.8V314 F315 A339 F340V314-Q317 HydrophobicContact CG1-CB 4.02Å; F315-Q317 VanDerWaalsContact O-CG 3.32Å; F315-Q317 WeakPolarHBondContact O-CG 3.45Å; F315-Q317 PolarHBondContact O-N 3.15Å; Q317-A339 WeakPolarHBondContact O-CA 3.16Å; Q317-A339 WeakPolarHBondContact O-CB 3.29Å; Q317-F340 PolarHBondContact O-N 3.13Å
318T82.9Confident87Confident14 Ų1444.3 Ų44.39%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-99.1124.4167.2-650000109.3F340 Y342 S545 L546T318-F340 CarbonylContact C-O 3.58Å; T318-F340 VanDerWaalsContact CA-O 3.24Å; T318-F340 WeakPolarHBondContact CA-O 3.41Å; T318-F340 HydrophobicContact CG2-CB 4.05Å; T318-F340 WeakPolarHBondContact OG1-CB 3.46Å; T318-Y342 HydrophobicContact CG2-CD2 4.23Å; T318-Y342 HydrophobicContact CG2-CE2 3.91Å; T318-S545 WeakPolarHBondContact CB-OG 3.36Å; T318-S545 PolarHBondContact OG1-OG 3.2Å; T318-L546 HydrophobicContact CG2-CD2 3.85Å
319L85Confident87.1Confident15 Ų1543.8 Ų43.88%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-118.4114.2176.6-65.4-179.3000108.4W282 I295 M311 V314 F340 I341 Y342W282-L319 HydrophobicContact CB-CD2 4.36Å; W282-L319 HydrophobicContact CE3-CB 4.36Å; W282-L319 HydrophobicContact CE3-CD1 4.03Å; W282-L319 HydrophobicContact CE3-CD2 4.23Å; W282-L319 HydrophobicContact CE3-CG 4.46Å; W282-L319 HydrophobicContact CZ3-CD1 4.36Å; I295-L319 HydrophobicContact CD1-CD1 4.21Å; M311-L319 HydrophobicContact CE-CD1 3.62Å; V314-L319 HydrophobicContact CB-CD1 4.13Å; V314-L319 HydrophobicContact CG1-CD1 3.48Å; V314-L319 VanDerWaalsContact CG1-CD1 3.48Å; V314-L319 HydrophobicContact CG1-CG 3.93Å; V314-L319 HydrophobicContact CG2-CD1 3.48Å; V314-L319 VanDerWaalsContact CG2-CD1 3.48Å; L319-F340 PolarHBondContact N-O 3.43Å; L319-I341 CarbonylContact O-C 3.58Å; L319-I341 WeakPolarHBondContact O-CA 3.28Å; L319-Y342 PolarHBondContact O-N 3.43Å
320A83.6Confident87.2Confident49 Ų4944 Ų4441%0.40523%0.23SC..EExtended strand (participates in β ladder)trans-116.3125.8174.100000109.9Y342 F474A320-Y342 CarbonylContact C-O 3.57Å; A320-Y342 WeakPolarHBondContact CA-O 3.31Å; A320-Y342 HydrophobicContact CB-CD2 4.44Å; A320-F474 HydrophobicContact CB-CD1 4.04Å; A320-F474 HydrophobicContact CB-CD2 4.14Å; A320-F474 HydrophobicContact CB-CE1 3.44Å; A320-F474 VanDerWaalsContact CB-CE1 3.44Å; A320-F474 HydrophobicContact CB-CE2 3.58Å; A320-F474 HydrophobicContact CB-CG 4.37Å; A320-F474 HydrophobicContact CB-CZ 3.21Å
321K82.3Confident87.3Confident73 Ų7343.8 Ų43.832%0.31723%0.228SC..EExtended strand (participates in β ladder)trans-142.2120.1176.9-163.871.5-169.6120.20111.3W282 L326 Y342 L343 L344W282-K321 HydrophobicContact CH2-CB 4.33Å; W282-K321 HydrophobicContact CH2-CG 4.49Å; W282-K321 HydrophobicContact CZ2-CG 4.38Å; W282-K321 HydrophobicContact CZ3-CB 4.44Å; K321-L326 HydrophobicContact CB-CD1 4.1Å; K321-L326 HydrophobicContact CG-CD1 3.9Å; K321-Y342 PolarHBondContact N-O 3.36Å; K321-L343 HydrophobicContact CB-CD2 4.29Å; K321-L343 WeakPolarHBondContact O-CA 3.33Å; K321-L344 PolarHBondContact O-N 3.1Å
322D79.9Confident87.5Confident68 Ų6844.3 Ų44.336%0.36423%0.231SC..  trans-108.3130.9152-179.420.6000108.7S345 M476D322-S345 PolarHBondContact OD1-OG 3.18Å; D322-M476 HydrophobicContact CB-CE 3.8Å; D322-M476 VanDerWaalsContact OD2-CE 3.27Å; D322-M476 WeakPolarHBondContact OD2-CE 3.4Å
323S81.3Confident87.8Confident22 Ų2243.7 Ų43.715%0.15423%0.226CC..  trans-173.6139.6174.6-174.90000112.4K325 L326 S345S323-K325 PolarHBondContact O-N 3.17Å; S323-K325 WeakPolarHBondContact OG-CB 3.32Å; S323-K325 WeakPolarHBondContact OG-CG 3.38Å; S323-K325 PolarHBondContact OG-N 3.02Å; S323-K325 VanDerWaalsContact OG-N 3.14Å; S323-L326 PolarHBondContact O-N 2.73Å; S323-S345 PolarHBondContact N-OG 2.79Å; S323-S345 PolarHBondContact O-OG 2.85Å
324D81Confident88.1Confident146 Ų14641.3 Ų41.378%0.78122%0.215SC*.THydrogen-bonded Turntrans-51.3-20.2165.2-53.5-30.8000114.5L326 A327D324-L326 PolarHBondContact O-N 3.07Å; D324-A327 VanDerWaalsContact O-CB 3.29Å; D324-A327 WeakPolarHBondContact O-CB 2.94Å; D324-A327 PolarHBondContact O-N 3.43Å; D324-A327 VanDerWaalsContact O-N 3.16Å
325K85.3Confident88.3Confident126 Ų12647.4 Ų47.455%0.54824%0.238SC..THydrogen-bonded Turntrans-68.4-20.1177-65.4170.4-174161.30113.1T299 S323T299-K325 PolarHBondContact OG1-O 3.47Å; S323-K325 PolarHBondContact O-N 3.17Å; S323-K325 WeakPolarHBondContact OG-CB 3.32Å; S323-K325 WeakPolarHBondContact OG-CG 3.38Å; S323-K325 PolarHBondContact OG-N 3.02Å; S323-K325 VanDerWaalsContact OG-N 3.14Å
326L90.1Very high88.5Confident4 Ų443.8 Ų43.82%0.02122%0.222CC..THydrogen-bonded Turntrans-93-17.6173.8-61.8-178.2000112.1V309 K321 S323 D324 G328 A329 L343 L347V309-L326 HydrophobicContact CB-CD2 4.4Å; V309-L326 HydrophobicContact CG1-CD2 4.2Å; V309-L326 HydrophobicContact CG2-CD2 3.84Å; K321-L326 HydrophobicContact CB-CD1 4.1Å; K321-L326 HydrophobicContact CG-CD1 3.9Å; S323-L326 PolarHBondContact O-N 2.73Å; D324-L326 PolarHBondContact O-N 3.07Å; L326-G328 PolarHBondContact O-N 3.31Å; L326-A329 VanDerWaalsContact O-CB 3.24Å; L326-A329 WeakPolarHBondContact O-CB 3.46Å; L326-A329 PolarHBondContact O-N 2.98Å; L326-L343 HydrophobicContact CD1-CB 4.47Å; L326-L343 HydrophobicContact CD1-CD2 4.08Å; L326-L347 HydrophobicContact CB-CD2 4.05Å
327A92.9Very high89Confident31 Ų3139.1 Ų39.126%0.25621%0.21SC..THydrogen-bonded Turntrans-55.9121.6-175.400000112D324 A329 P346D324-A327 VanDerWaalsContact O-CB 3.29Å; D324-A327 WeakPolarHBondContact O-CB 2.94Å; D324-A327 PolarHBondContact O-N 3.43Å; D324-A327 VanDerWaalsContact O-N 3.16Å; A327-A329 PolarHBondContact O-N 2.87Å; A327-P346 CarbonylContact C-O 3.51Å; A327-P346 VanDerWaalsContact CA-O 3.24Å; A327-P346 WeakPolarHBondContact CA-O 3.11Å; A327-P346 HydrophobicContact CB-CG 4.31Å
328G93.6Very high89.4Confident28 Ų2838.9 Ų38.929%0.28921%0.21SC..THydrogen-bonded Turntrans6423.4-179.700000114.4L326 P346 R348L326-G328 PolarHBondContact O-N 3.31Å; G328-P346 PolarHBondContact N-O 2.91Å; G328-R348 WeakPolarHBondContact O-CB 3.44Å
329A95.3Very high89.7Confident0 Ų038.2 Ų38.20%021%0.206CC..  trans-91.3148.6175.200000112.3T299 K307 V309 L326 A327 R348T299-A329 HydrophobicContact CG2-CB 3.95Å; K307-A329 HydrophobicContact CB-CB 4.19Å; V309-A329 HydrophobicContact CG2-CB 4.06Å; L326-A329 VanDerWaalsContact O-CB 3.24Å; L326-A329 WeakPolarHBondContact O-CB 3.46Å; L326-A329 PolarHBondContact O-N 2.98Å; A327-A329 PolarHBondContact O-N 2.87Å; A329-R348 PolarHBondContact O-N 2.88Å
330N96Very high89.9Confident5 Ų538.5 Ų38.53%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-83115166.4-58.4-75.2000109L17 W165 G305 K307 M308 V309 R348 S349L17-N330 HydrophobicContact CD2-CB 4.08Å; W165-N330 HydrophobicContact CH2-CB 3.97Å; G305-N330 PolarHBondContact O-ND2 3.12Å; K307-N330 PolarHBondContact O-N 3.45Å; K307-N330 PolarHBondContact O-ND2 3.24Å; M308-N330 WeakPolarHBondContact CA-O 3.2Å; V309-N330 PolarHBondContact N-O 3.15Å; N330-R348 WeakPolarHBondContact OD1-CG 3.18Å; N330-S349 WeakPolarHBondContact CB-OG 3.34Å; N330-S349 PolarHBondContact OD1-OG 2.82Å
331V96.2Very high90.4Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-103.9129.3-174.6-174.10000110.7V309 M311 I333 L343 L347 S349 V350 S351V309-V331 HydrophobicContact CB-CG2 4.39Å; V309-V331 CarbonylContact O-C 3.58Å; V309-V331 VanDerWaalsContact O-CA 3.31Å; V309-V331 WeakPolarHBondContact O-CA 3.3Å; M311-V331 HydrophobicContact SD-CG1 4.43Å; V331-I333 HydrophobicContact CG1-CG1 4.1Å; V331-L343 HydrophobicContact CG1-CD1 3.85Å; V331-L347 HydrophobicContact CG2-CD1 4.3Å; V331-L347 HydrophobicContact CG2-CD2 3.92Å; V331-S349 PolarHBondContact N-O 3.18Å; V331-V350 HydrophobicContact CB-CG2 4.34Å; V331-V350 CarbonylContact O-C 3.6Å; V331-V350 VanDerWaalsContact O-CA 3.3Å; V331-V350 WeakPolarHBondContact O-CA 3.13Å; V331-S351 PolarHBondContact O-N 3.26Å
332K95.5Very high91Very high12 Ų1232.7 Ų32.75%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-114.4118.8169.3178.4152174.6177.40110.3W165 M270 V309 L310 M311 H334 S351 D353W165-K332 HydrophobicContact CB-CD 4.18Å; W165-K332 VanDerWaalsContact CB-NZ 3.33Å; W165-K332 HydrophobicContact CD2-CB 4.26Å; W165-K332 HydrophobicContact CD2-CD 3.46Å; W165-K332 VanDerWaalsContact CD2-CD 3.46Å; W165-K332 HydrophobicContact CD2-CG 4.45Å; W165-K332 HydrophobicContact CE3-CB 4.14Å; W165-K332 HydrophobicContact CE3-CD 3.78Å; W165-K332 HydrophobicContact CG-CD 3.65Å; W165-K332 HydrophobicContact CH2-CB 3.71Å; W165-K332 HydrophobicContact CZ2-CB 3.82Å; W165-K332 HydrophobicContact CZ2-CD 4.43Å; W165-K332 HydrophobicContact CZ3-CB 3.87Å; W165-K332 HydrophobicContact CZ3-CD 4.39Å; M270-K332 HydrophobicContact CE-CD 3.47Å; M270-K332 VanDerWaalsContact CE-CD 3.47Å; M270-K332 HydrophobicContact CE-CG 4.2Å; M270-K332 HydrophobicContact SD-CD 4.22Å; V309-K332 PolarHBondContact O-N 3.33Å; L310-K332 HydrophobicContact CD1-CB 3.82Å; L310-K332 HydrophobicContact CD1-CD 4.39Å; L310-K332 HydrophobicContact CD1-CG 3.75Å; M311-K332 PolarHBondContact N-O 2.99Å; K332-H334 HydrophobicContact CG-CB 4.17Å; K332-S351 CarbonylContact C-O 3.55Å; K332-S351 WeakPolarHBondContact CA-O 3.2Å; K332-D353 IonicContact NZ-OD2 3.94Å
333I95.9Very high91.7Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5113174.1-54.4178000106.9M311 V331 C336 I341 L343 V350 S351 L352 D353 V360M311-I333 CarbonylContact O-C 3.51Å; M311-I333 WeakPolarHBondContact O-CA 3.46Å; V331-I333 HydrophobicContact CG1-CG1 4.1Å; I333-C336 HydrophobicContact CG2-CB 4.23Å; I333-C336 VanDerWaalsContact CG2-SG 3.56Å; I333-I341 HydrophobicContact CD1-CG2 4.26Å; I333-I341 HydrophobicContact CG2-CD1 3.8Å; I333-L343 HydrophobicContact CD1-CD1 4.13Å; I333-V350 HydrophobicContact CD1-CG1 4.49Å; I333-S351 PolarHBondContact N-O 3.2Å; I333-L352 HydrophobicContact CB-CD1 4.43Å; I333-L352 HydrophobicContact CB-CG 4.29Å; I333-L352 HydrophobicContact CD1-CD1 4.01Å; I333-L352 HydrophobicContact CD1-CG 4.42Å; I333-L352 WeakPolarHBondContact O-CA 3.41Å; I333-D353 PolarHBondContact O-N 3.3Å; I333-V360 HydrophobicContact CD1-CG1 3.87Å
334H94.1Very high92.4Very high26 Ų2628.6 Ų28.612%0.1215%0.149CC..EExtended strand (participates in β ladder)trans-135.3128.6-167.3169.9-107.2000113.1M311 S312 Q313 K332 C336 D353M311-H334 PolarHBondContact O-N 3.04Å; S312-H334 WeakPolarHBondContact CA-O 3.2Å; S312-H334 VanDerWaalsContact CB-O 3.32Å; S312-H334 WeakPolarHBondContact CB-O 3.42Å; S312-H334 PolarHBondContact OG-ND1 3.41Å; S312-H334 VanDerWaalsContact OG-ND1 3.12Å; S312-H334 PolarHBondContact OG-O 3.01Å; Q313-H334 PolarHBondContact N-O 3.36Å; Q313-H334 VanDerWaalsContact N-O 3.17Å; K332-H334 HydrophobicContact CG-CB 4.17Å; H334-C336 VanDerWaalsContact C-N 3.31Å; H334-C336 PolarHBondContact O-N 2.89Å; H334-D353 CarbonylContact C-O 3.48Å; H334-D353 VanDerWaalsContact CA-O 3.25Å; H334-D353 WeakPolarHBondContact CA-O 3.23Å; H334-D353 IonicContact CD2-OD2 3.83Å; H334-D353 PolarHBondContact CD2-OD2 3.31Å
335R92.3Very high93.1Very high128 Ų12821.7 Ų21.748%0.48311%0.112SC..SBendtrans55.643.3-179.6-58.9177.4-165.6-178.15.7112.9Q313 D353 K354Q313-R335 VanDerWaalsContact CA-O 3.26Å; Q313-R335 WeakPolarHBondContact CA-O 3.35Å; Q313-R335 HydrophobicContact CG-CB 4.47Å; Q313-R335 PolarHBondContact N-O 3.14Å; R335-D353 PolarHBondContact N-O 3.2Å; R335-K354 VanDerWaalsContact CA-O 3.31Å; R335-K354 WeakPolarHBondContact CA-O 3.21Å; R335-K354 HydrophobicContact CG-CB 4.05Å
336C92Very high93.6Very high1 Ų116.7 Ų16.71%0.0079%0.092CC..  trans-93.2144172.6-59.60000109.6V314 I333 H334 I341 C355 R356V314-C336 HydrophobicContact CB-CB 4.08Å; V314-C336 CarbonylContact O-C 3.54Å; V314-C336 VanDerWaalsContact O-CA 3.24Å; V314-C336 WeakPolarHBondContact O-CA 3.27Å; I333-C336 HydrophobicContact CG2-CB 4.23Å; I333-C336 VanDerWaalsContact CG2-SG 3.56Å; H334-C336 VanDerWaalsContact C-N 3.31Å; H334-C336 PolarHBondContact O-N 2.89Å; C336-I341 HydrophobicContact CB-CD1 4.21Å; C336-C355 CarbonylContact O-C 3.6Å; C336-C355 WeakPolarHBondContact O-CA 3.23Å; C336-R356 PolarHBondContact O-N 3.11Å
337S92.6Very high94Very high37 Ų3716.5 Ų16.526%0.2599%0.091SC..BIsolated β-bridgetrans-146.3142.6-176.640.30000112.3V314 F315 R316 A339 R356V314-S337 PolarHBondContact O-N 3.24Å; F315-S337 VanDerWaalsContact CA-O 3.28Å; F315-S337 WeakPolarHBondContact CA-O 3.42Å; F315-S337 WeakPolarHBondContact CD2-O 3.42Å; F315-S337 WeakPolarHBondContact CD2-OG 3.04Å; R316-S337 PolarHBondContact N-O 3.31Å; S337-A339 PolarHBondContact O-N 2.91Å; S337-R356 VanDerWaalsContact CA-O 3.23Å; S337-R356 WeakPolarHBondContact CA-O 3.34Å
338D89.1Confident94.1Very high31 Ų3116.4 Ų16.417%0.1668%0.084CC..SBendtrans51.440.8-179.4-51-41.5000111.8F315 R316 R356 N357 S358 Q541F315-D338 HydrophobicContact CE2-CB 4.43Å; F315-D338 WeakPolarHBondContact CE2-OD2 3.48Å; R316-D338 WeakPolarHBondContact CA-O 3.4Å; R316-D338 HydrophobicContact CG-CB 3.74Å; R316-D338 PolarHBondContact N-O 3.45Å; R316-D338 IonicContact NE-OD2 3.03Å; D338-R356 PolarHBondContact N-O 3.2Å; D338-R356 VanDerWaalsContact N-O 3.1Å; D338-N357 WeakPolarHBondContact CA-O 3.28Å; D338-N357 PolarHBondContact N-O 2.87Å; D338-N357 WeakPolarHBondContact OD1-CB 3.2Å; D338-N357 PolarHBondContact OD1-ND2 3.11Å; D338-N357 VanDerWaalsContact OD1-ND2 3.13Å; D338-S358 PolarHBondContact N-OG 3.38Å; D338-Q541 PolarHBondContact O-NE2 2.77Å
339A89.5Confident94.2Very high0 Ų015.2 Ų15.20%07%0.071CC..  trans-124.3150.3-169.500000112.7V314 Q317 S337 I341 S358 T359V314-A339 HydrophobicContact CB-CB 4.42Å; V314-A339 HydrophobicContact CG1-CB 3.86Å; Q317-A339 WeakPolarHBondContact O-CA 3.16Å; Q317-A339 WeakPolarHBondContact O-CB 3.29Å; S337-A339 PolarHBondContact O-N 2.91Å; A339-I341 HydrophobicContact CB-CG1 4.37Å; A339-S358 PolarHBondContact N-OG 2.88Å; A339-S358 CarbonylContact O-C 3.54Å; A339-S358 WeakPolarHBondContact O-CA 3.43Å; A339-S358 WeakPolarHBondContact O-CB 3.37Å; A339-T359 PolarHBondContact O-N 2.89Å
340F90.3Very high94.4Very high21 Ų2115.3 Ų15.39%0.0927%0.072CC..EExtended strand (participates in β ladder)trans-111122.3169.6-60.8-99.6000108.6Q317 T318 L319 Y342 T359 E542Q317-F340 PolarHBondContact O-N 3.13Å; T318-F340 CarbonylContact C-O 3.58Å; T318-F340 VanDerWaalsContact CA-O 3.24Å; T318-F340 WeakPolarHBondContact CA-O 3.41Å; T318-F340 HydrophobicContact CG2-CB 4.05Å; T318-F340 WeakPolarHBondContact OG1-CB 3.46Å; L319-F340 PolarHBondContact N-O 3.43Å; F340-Y342 HydrophobicContact CB-CE2 3.84Å; F340-T359 CarbonylContact C-O 3.58Å; F340-T359 WeakPolarHBondContact CA-O 3.28Å; F340-T359 HydrophobicContact CD1-CG2 4.38Å; F340-E542 HydrophobicContact CD1-CB 4.28Å; F340-E542 HydrophobicContact CD1-CG 3.68Å; F340-E542 HydrophobicContact CD2-CB 4.26Å; F340-E542 HydrophobicContact CD2-CG 4.25Å; F340-E542 HydrophobicContact CE1-CB 3.77Å; F340-E542 HydrophobicContact CE1-CG 3.58Å; F340-E542 VanDerWaalsContact CE1-OE2 3.31Å; F340-E542 WeakPolarHBondContact CE1-OE2 3.36Å; F340-E542 HydrophobicContact CE2-CB 3.75Å; F340-E542 HydrophobicContact CE2-CG 4.17Å; F340-E542 HydrophobicContact CG-CG 4.05Å; F340-E542 HydrophobicContact CZ-CB 3.51Å; F340-E542 HydrophobicContact CZ-CG 3.86Å
341I93.3Very high94.4Very high0 Ų015.1 Ų15.10%07%0.071CC..EExtended strand (participates in β ladder)trans-127.7115.3-173.5-58.9173.5000108.8M311 L319 I333 C336 A339 L343 T359 V360 V361M311-I341 HydrophobicContact CE-CG2 3.96Å; L319-I341 CarbonylContact O-C 3.58Å; L319-I341 WeakPolarHBondContact O-CA 3.28Å; I333-I341 HydrophobicContact CD1-CG2 4.26Å; I333-I341 HydrophobicContact CG2-CD1 3.8Å; C336-I341 HydrophobicContact CB-CD1 4.21Å; A339-I341 HydrophobicContact CB-CG1 4.37Å; I341-L343 HydrophobicContact CG2-CD1 4.42Å; I341-L343 HydrophobicContact CG2-CD2 4.23Å; I341-L343 HydrophobicContact CG2-CG 3.97Å; I341-T359 PolarHBondContact N-O 3.13Å; I341-V360 HydrophobicContact CB-CG1 4.31Å; I341-V360 HydrophobicContact CB-CG2 4.37Å; I341-V360 HydrophobicContact CG2-CG1 4.45Å; I341-V360 CarbonylContact O-C 3.59Å; I341-V360 VanDerWaalsContact O-CA 3.3Å; I341-V360 WeakPolarHBondContact O-CA 3.47Å; I341-V361 PolarHBondContact O-N 2.79Å
342Y94.4Very high94.4Very high0 Ų015.1 Ų15.10%07%0.071CC..EExtended strand (participates in β ladder)trans-113.7110.9176.5-53.6-102.4000108.9T318 L319 A320 K321 F340 V361 F474 E542T318-Y342 HydrophobicContact CG2-CD2 4.23Å; T318-Y342 HydrophobicContact CG2-CE2 3.91Å; L319-Y342 PolarHBondContact O-N 3.43Å; A320-Y342 CarbonylContact C-O 3.57Å; A320-Y342 WeakPolarHBondContact CA-O 3.31Å; A320-Y342 HydrophobicContact CB-CD2 4.44Å; K321-Y342 PolarHBondContact N-O 3.36Å; F340-Y342 HydrophobicContact CB-CE2 3.84Å; Y342-V361 CarbonylContact C-O 3.47Å; Y342-V361 VanDerWaalsContact CA-O 3.31Å; Y342-V361 WeakPolarHBondContact CA-O 3.48Å; Y342-V361 HydrophobicContact CD1-CB 3.58Å; Y342-V361 HydrophobicContact CD1-CG1 4.19Å; Y342-V361 HydrophobicContact CD1-CG2 3.7Å; Y342-V361 HydrophobicContact CE1-CB 4.09Å; Y342-V361 HydrophobicContact CE1-CG2 3.64Å; Y342-V361 HydrophobicContact CG-CB 4.34Å; Y342-F474 AromaticContact CD1-CE2 3.7Å; Y342-F474 HydrophobicContact CD1-CE2 3.7Å; Y342-F474 AromaticContact CD2-CE2 3.61Å; Y342-F474 HydrophobicContact CD2-CE2 3.61Å; Y342-F474 AromaticContact CD2-CZ 3.73Å; Y342-F474 HydrophobicContact CD2-CZ 3.73Å; Y342-F474 HydrophobicContact CE1-CE2 4.11Å; Y342-F474 HydrophobicContact CE2-CE2 4.03Å; Y342-F474 AromaticContact CE2-CZ 3.96Å; Y342-F474 HydrophobicContact CE2-CZ 3.96Å; Y342-F474 HydrophobicContact CG-CD2 4.49Å; Y342-F474 AromaticContact CG-CE2 3.45Å; Y342-F474 HydrophobicContact CG-CE2 3.45Å; Y342-F474 VanDerWaalsContact CG-CE2 3.45Å; Y342-F474 HydrophobicContact CG-CZ 4.08Å; Y342-E542 PolarHBondContact OH-OE1 3.01Å
343L95.6Very high94.4Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-11584.8174.7-56.3-179.5000108.5W282 M311 K321 L326 V331 I333 I341 S345 L347 V361 L362 G363W282-L343 HydrophobicContact CH2-CD2 4.14Å; W282-L343 HydrophobicContact CZ3-CD2 4.21Å; M311-L343 HydrophobicContact CE-CD2 4.34Å; M311-L343 HydrophobicContact SD-CD1 3.95Å; M311-L343 HydrophobicContact SD-CD2 4Å; K321-L343 HydrophobicContact CB-CD2 4.29Å; K321-L343 WeakPolarHBondContact O-CA 3.33Å; L326-L343 HydrophobicContact CD1-CB 4.47Å; L326-L343 HydrophobicContact CD1-CD2 4.08Å; V331-L343 HydrophobicContact CG1-CD1 3.85Å; I333-L343 HydrophobicContact CD1-CD1 4.13Å; I341-L343 HydrophobicContact CG2-CD1 4.42Å; I341-L343 HydrophobicContact CG2-CD2 4.23Å; I341-L343 HydrophobicContact CG2-CG 3.97Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 2.84Å; L343-L347 HydrophobicContact CB-CD1 4.38Å; L343-V361 PolarHBondContact N-O 3.47Å; L343-L362 HydrophobicContact CB-CD2 3.93Å; L343-L362 HydrophobicContact CD1-CD2 4.01Å; L343-L362 HydrophobicContact CG-CD2 4.19Å; L343-L362 CarbonylContact O-C 3.41Å; L343-G363 PolarHBondContact O-N 3.26Å
344L95.4Very high94.4Very high4 Ų417.4 Ų17.42%0.0218%0.082CC..  trans-94.150.8-166.8-52.3179000111.7K321 V361 Y422 H428 V472 F474 M476K321-L344 PolarHBondContact O-N 3.1Å; L344-V361 HydrophobicContact CD2-CG1 4Å; L344-Y422 HydrophobicContact CB-CD1 4.36Å; L344-Y422 HydrophobicContact CB-CE1 4.28Å; L344-Y422 HydrophobicContact CB-CE2 4.48Å; L344-Y422 HydrophobicContact CB-CG 4.48Å; L344-Y422 HydrophobicContact CD2-CD1 3.9Å; L344-Y422 HydrophobicContact CD2-CE1 4.1Å; L344-Y422 HydrophobicContact CG-CD1 4.5Å; L344-H428 PolarHBondContact O-CE1 3.17Å; L344-H428 VanDerWaalsContact O-CE1 3.31Å; L344-V472 HydrophobicContact CD1-CG1 3.57Å; L344-F474 HydrophobicContact CD1-CD2 4.07Å; L344-M476 HydrophobicContact CB-CE 4.08Å; L344-M476 HydrophobicContact CB-SD 4.36Å; L344-M476 HydrophobicContact CD1-CE 4.37Å; L344-M476 HydrophobicContact CD1-SD 3.57Å; L344-M476 VanDerWaalsContact CD1-SD 3.57Å
345S95.8Very high94.4Very high1 Ų116.2 Ų16.21%0.0078%0.076CC..SBendtrans-135.6159.3-180-56.30000109.7D322 S323 L343 L347D322-S345 PolarHBondContact OD1-OG 3.18Å; S323-S345 PolarHBondContact N-OG 2.79Å; S323-S345 PolarHBondContact O-OG 2.85Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 2.84Å; S345-L347 WeakPolarHBondContact O-CG 3.29Å; S345-L347 PolarHBondContact O-N 2.93Å
346P96.9Very high94.6Very high21 Ų2116.7 Ų16.714%0.1368%0.078CC..  trans-68.4120177.526.1-32.8000110.9A327 G328 P364 H428 V432A327-P346 CarbonylContact C-O 3.51Å; A327-P346 VanDerWaalsContact CA-O 3.24Å; A327-P346 WeakPolarHBondContact CA-O 3.11Å; A327-P346 HydrophobicContact CB-CG 4.31Å; G328-P346 PolarHBondContact N-O 2.91Å; P346-P364 WeakPolarHBondContact CA-O 3.41Å; P346-H428 HydrophobicContact CB-CB 4.48Å; P346-V432 HydrophobicContact CB-CG1 3.51Å
347L97.1Very high94.7Very high0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-107.3151-175-55.7177.5000110.8L326 V331 L343 S345 V350 L362 P364 I365 E366L326-L347 HydrophobicContact CB-CD2 4.05Å; V331-L347 HydrophobicContact CG2-CD1 4.3Å; V331-L347 HydrophobicContact CG2-CD2 3.92Å; L343-L347 HydrophobicContact CB-CD1 4.38Å; S345-L347 WeakPolarHBondContact O-CG 3.29Å; S345-L347 PolarHBondContact O-N 2.93Å; L347-V350 HydrophobicContact CB-CG2 4.19Å; L347-V350 HydrophobicContact CD1-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 4.41Å; L347-L362 HydrophobicContact CD1-CD2 4.25Å; L347-P364 PolarHBondContact N-O 2.91Å; L347-I365 HydrophobicContact CB-CG1 4.39Å; L347-I365 WeakPolarHBondContact O-CA 3.44Å; L347-E366 WeakPolarHBondContact O-CB 3.47Å; L347-E366 PolarHBondContact O-N 3.29Å
348R95.4Very high94.8Very high30 Ų3018.7 Ų18.711%0.1139%0.086CC..EExtended strand (participates in β ladder)trans-74.8-55.2172.1179.264.1166.4-172.24.4110.1E14 G328 A329 N330 E366 T367E14-R348 IonicContact OE1-CZ 3.3Å; E14-R348 VanDerWaalsContact OE1-CZ 3.32Å; E14-R348 IonicContact OE1-NE 3.47Å; E14-R348 PolarHBondContact OE1-NE 2.7Å; E14-R348 VanDerWaalsContact OE1-NE 3.09Å; E14-R348 IonicContact OE1-NH2 3.67Å; E14-R348 PolarHBondContact OE1-NH2 2.55Å; G328-R348 WeakPolarHBondContact O-CB 3.44Å; A329-R348 PolarHBondContact O-N 2.88Å; N330-R348 WeakPolarHBondContact OD1-CG 3.18Å; R348-E366 WeakPolarHBondContact CD-OE2 3.35Å; R348-E366 IonicContact CZ-OE2 2.65Å; R348-E366 IonicContact NE-OE2 3.5Å; R348-E366 IonicContact NH1-OE1 3.54Å; R348-E366 PolarHBondContact NH1-OE1 2.91Å; R348-E366 IonicContact NH1-OE2 2.83Å; R348-E366 PolarHBondContact NH1-OE2 3.03Å; R348-T367 PolarHBondContact O-N 3.13Å; R348-T367 PolarHBondContact O-OG1 3.25Å
349S96.4Very high95.1Very high2 Ų218.3 Ų18.31%0.0149%0.085CC..EExtended strand (participates in β ladder)trans-153.1158.7179.271.40000111.1N330 V331 S368N330-S349 WeakPolarHBondContact CB-OG 3.34Å; N330-S349 PolarHBondContact OD1-OG 2.82Å; V331-S349 PolarHBondContact N-O 3.18Å; S349-S368 VanDerWaalsContact CA-O 3.31Å; S349-S368 WeakPolarHBondContact CA-O 3.31Å; S349-S368 WeakPolarHBondContact CB-O 3.35Å
350V97.8Very high95.5Very high3 Ų318.4 Ų18.42%0.0189%0.085CC..EExtended strand (participates in β ladder)trans-134.3137.9177.9-177.60000111V331 I333 L347 L352 L362 I365 S368 I369 H370V331-V350 HydrophobicContact CB-CG2 4.34Å; V331-V350 CarbonylContact O-C 3.6Å; V331-V350 VanDerWaalsContact O-CA 3.3Å; V331-V350 WeakPolarHBondContact O-CA 3.13Å; I333-V350 HydrophobicContact CD1-CG1 4.49Å; L347-V350 HydrophobicContact CB-CG2 4.19Å; L347-V350 HydrophobicContact CD1-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 4.41Å; V350-L352 HydrophobicContact CG1-CD1 3.41Å; V350-L352 VanDerWaalsContact CG1-CD1 3.41Å; V350-L362 HydrophobicContact CB-CD1 4.34Å; V350-L362 HydrophobicContact CG1-CD1 3.93Å; V350-L362 HydrophobicContact CG2-CD1 4.27Å; V350-I365 HydrophobicContact CB-CD1 4.05Å; V350-I365 HydrophobicContact CG2-CD1 3.67Å; V350-I365 HydrophobicContact CG2-CG1 4.01Å; V350-I365 HydrophobicContact CG2-CG2 4.29Å; V350-S368 PolarHBondContact N-O 3.43Å; V350-I369 HydrophobicContact CB-CB 4.42Å; V350-I369 HydrophobicContact CB-CD1 4.48Å; V350-I369 HydrophobicContact CB-CG1 4.13Å; V350-I369 HydrophobicContact CG1-CD1 4.44Å; V350-I369 HydrophobicContact CG1-CG1 4.36Å; V350-I369 CarbonylContact O-C 3.57Å; V350-I369 VanDerWaalsContact O-CA 3.25Å; V350-I369 WeakPolarHBondContact O-CA 3.39Å; V350-H370 PolarHBondContact O-N 3.42Å
351S96.6Very high95.8Very high1 Ų117.5 Ų17.51%0.0078%0.081CC..EExtended strand (participates in β ladder)trans-125.7122.2169.7-177.30000110.8W165 V331 K332 I333 H370W165-S351 PolarHBondContact NE1-OG 3Å; V331-S351 PolarHBondContact O-N 3.26Å; K332-S351 CarbonylContact C-O 3.55Å; K332-S351 WeakPolarHBondContact CA-O 3.2Å; I333-S351 PolarHBondContact N-O 3.2Å; S351-H370 CarbonylContact C-O 3.56Å; S351-H370 VanDerWaalsContact CA-O 3.3Å; S351-H370 WeakPolarHBondContact CA-O 3.33Å
352L96.9Very high96.1Very high0 Ų017.6 Ų17.60%08%0.082CC..EExtended strand (participates in β ladder)trans-101.8119.2169.7-8265.2000107.9I333 V350 V360 I369 H370 I371 Q372 V377 V379I333-L352 HydrophobicContact CB-CD1 4.43Å; I333-L352 HydrophobicContact CB-CG 4.29Å; I333-L352 HydrophobicContact CD1-CD1 4.01Å; I333-L352 HydrophobicContact CD1-CG 4.42Å; I333-L352 WeakPolarHBondContact O-CA 3.41Å; V350-L352 HydrophobicContact CG1-CD1 3.41Å; V350-L352 VanDerWaalsContact CG1-CD1 3.41Å; L352-V360 HydrophobicContact CD2-CB 4.13Å; L352-V360 HydrophobicContact CD2-CG1 4.3Å; L352-V360 HydrophobicContact CD2-CG2 3.9Å; L352-I369 HydrophobicContact CD1-CD1 4.29Å; L352-H370 PolarHBondContact N-O 3.14Å; L352-I371 HydrophobicContact CB-CG1 4.41Å; L352-I371 WeakPolarHBondContact O-CA 3.3Å; L352-Q372 PolarHBondContact O-N 3.11Å; L352-V377 HydrophobicContact CD2-CG1 4.21Å; L352-V379 HydrophobicContact CD2-CG2 3.6Å
353D95.2Very high96.2Very high8 Ų817.6 Ų17.64%0.0438%0.082CC..EExtended strand (participates in β ladder)trans-134.1121.6-174.1-17717.7000110.6K332 I333 H334 R335 C355 Q372K332-D353 IonicContact NZ-OD2 3.94Å; I333-D353 PolarHBondContact O-N 3.3Å; H334-D353 CarbonylContact C-O 3.48Å; H334-D353 VanDerWaalsContact CA-O 3.25Å; H334-D353 WeakPolarHBondContact CA-O 3.23Å; H334-D353 IonicContact CD2-OD2 3.83Å; H334-D353 PolarHBondContact CD2-OD2 3.31Å; R335-D353 PolarHBondContact N-O 3.2Å; D353-C355 VanDerWaalsContact C-N 3.31Å; D353-C355 PolarHBondContact O-N 3.04Å; D353-Q372 WeakPolarHBondContact CA-O 3.13Å
354K94.9Very high96.3Very high52 Ų5217.6 Ų17.623%0.2268%0.082CC..SBendtrans6035.9177.8-62.8164.7-174.4178.50113.9S159 R335 Q372 S373S159-K354 WeakPolarHBondContact OG-CE 3.38Å; S159-K354 PolarHBondContact OG-NZ 3.04Å; R335-K354 VanDerWaalsContact CA-O 3.31Å; R335-K354 WeakPolarHBondContact CA-O 3.21Å; R335-K354 HydrophobicContact CG-CB 4.05Å; K354-Q372 PolarHBondContact N-O 3.3Å; K354-S373 VanDerWaalsContact CA-O 3.3Å; K354-S373 WeakPolarHBondContact CA-O 3.38Å
355C95.9Very high96.4Very high1 Ų117.4 Ų17.41%0.0078%0.081CC..  trans-92.4149.4176.9-63.30000111.6C336 D353 C374 E375 V377C336-C355 CarbonylContact O-C 3.6Å; C336-C355 WeakPolarHBondContact O-CA 3.23Å; D353-C355 VanDerWaalsContact C-N 3.31Å; D353-C355 PolarHBondContact O-N 3.04Å; C355-C374 CarbonylContact O-C 3.57Å; C355-C374 VanDerWaalsContact O-CA 3.23Å; C355-C374 WeakPolarHBondContact O-CA 3.39Å; C355-E375 PolarHBondContact O-N 3.47Å; C355-V377 HydrophobicContact CB-CG2 4.08Å; C355-V377 WeakPolarHBondContact O-CG2 3.33Å
356R96.2Very high96.5Very high138 Ų13818.8 Ų18.852%0.5219%0.087SC..EExtended strand (participates in β ladder)trans-137.1145.7-177.9-57.7-168.8176.2175.9-6113.3C336 S337 D338 S358 E375C336-R356 PolarHBondContact O-N 3.11Å; S337-R356 VanDerWaalsContact CA-O 3.23Å; S337-R356 WeakPolarHBondContact CA-O 3.34Å; D338-R356 PolarHBondContact N-O 3.2Å; D338-R356 VanDerWaalsContact N-O 3.1Å; R356-S358 PolarHBondContact O-N 2.97Å; R356-S358 PolarHBondContact O-OG 3.29Å; R356-E375 CarbonylContact C-O 3.29Å; R356-E375 WeakPolarHBondContact CA-O 3.36Å; R356-E375 HydrophobicContact CG-CB 4.12Å; R356-E375 IonicContact CZ-OE2 2.73Å; R356-E375 IonicContact NE-OE2 3.15Å; R356-E375 PolarHBondContact NE-OE2 3.45Å
357N93.9Very high96.4Very high77 Ų7718.1 Ų18.141%0.4128%0.083SC..EExtended strand (participates in β ladder)trans47.343.1171.9-56.6-28.2000113.1D338 E375 N376D338-N357 WeakPolarHBondContact CA-O 3.28Å; D338-N357 PolarHBondContact N-O 2.87Å; D338-N357 WeakPolarHBondContact OD1-CB 3.2Å; D338-N357 PolarHBondContact OD1-ND2 3.11Å; D338-N357 VanDerWaalsContact OD1-ND2 3.13Å; N357-E375 PolarHBondContact N-O 2.98Å; N357-N376 WeakPolarHBondContact CA-O 3.23Å; N357-N376 PolarHBondContact N-O 3.26Å; N357-N376 VanDerWaalsContact N-O 3.17Å; N357-N376 PolarHBondContact OD1-ND2 2.9Å
358S94.4Very high96.3Very high3 Ų319.1 Ų19.12%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-129.9148.9-169.7-63.80000111.1D338 A339 R356 N376 V377 K378D338-S358 PolarHBondContact N-OG 3.38Å; A339-S358 PolarHBondContact N-OG 2.88Å; A339-S358 CarbonylContact O-C 3.54Å; A339-S358 WeakPolarHBondContact O-CA 3.43Å; A339-S358 WeakPolarHBondContact O-CB 3.37Å; R356-S358 PolarHBondContact O-N 2.97Å; R356-S358 PolarHBondContact O-OG 3.29Å; S358-N376 PolarHBondContact N-O 2.77Å; S358-V377 CarbonylContact O-C 3.53Å; S358-V377 VanDerWaalsContact O-CA 3.29Å; S358-V377 WeakPolarHBondContact O-CA 3.22Å; S358-V377 WeakPolarHBondContact O-CG1 3.43Å; S358-K378 PolarHBondContact O-N 2.76Å
359T95Very high96.4Very high23 Ų2317.7 Ų17.714%0.1418%0.084CC..EExtended strand (participates in β ladder)trans-109126.7172.3-610000108.9A339 F340 I341 V361 K378 L470A339-T359 PolarHBondContact O-N 2.89Å; F340-T359 CarbonylContact C-O 3.58Å; F340-T359 WeakPolarHBondContact CA-O 3.28Å; F340-T359 HydrophobicContact CD1-CG2 4.38Å; I341-T359 PolarHBondContact N-O 3.13Å; T359-V361 HydrophobicContact CG2-CG2 4.33Å; T359-K378 CarbonylContact C-O 3.54Å; T359-K378 WeakPolarHBondContact CA-O 3.33Å; T359-K378 HydrophobicContact CG2-CB 4.36Å; T359-K378 HydrophobicContact CG2-CD 4.36Å; T359-L470 HydrophobicContact CG2-CD1 4.29Å
360V97.6Very high96.4Very high1 Ų118.5 Ų18.51%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-126.2113.2-177.4-172.10000109.5I333 I341 L352 L362 V377 K378 V379 V380I333-V360 HydrophobicContact CD1-CG1 3.87Å; I341-V360 HydrophobicContact CB-CG1 4.31Å; I341-V360 HydrophobicContact CB-CG2 4.37Å; I341-V360 HydrophobicContact CG2-CG1 4.45Å; I341-V360 CarbonylContact O-C 3.59Å; I341-V360 VanDerWaalsContact O-CA 3.3Å; I341-V360 WeakPolarHBondContact O-CA 3.47Å; L352-V360 HydrophobicContact CD2-CB 4.13Å; L352-V360 HydrophobicContact CD2-CG1 4.3Å; L352-V360 HydrophobicContact CD2-CG2 3.9Å; V360-L362 HydrophobicContact CG1-CD1 4.23Å; V360-L362 HydrophobicContact CG1-CD2 3.77Å; V360-L362 HydrophobicContact CG1-CG 3.93Å; V360-V377 HydrophobicContact CG2-CG1 4.44Å; V360-K378 PolarHBondContact N-O 2.91Å; V360-V379 CarbonylContact O-C 3.58Å; V360-V379 VanDerWaalsContact O-CA 3.31Å; V360-V379 WeakPolarHBondContact O-CA 3.49Å; V360-V380 PolarHBondContact O-N 2.87Å
361V97.6Very high96.4Very high2 Ų218.4 Ų18.41%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-108126.6177.1-174.90000108.6I341 Y342 L343 L344 T359 V380 L470I341-V361 PolarHBondContact O-N 2.79Å; Y342-V361 CarbonylContact C-O 3.47Å; Y342-V361 VanDerWaalsContact CA-O 3.31Å; Y342-V361 WeakPolarHBondContact CA-O 3.48Å; Y342-V361 HydrophobicContact CD1-CB 3.58Å; Y342-V361 HydrophobicContact CD1-CG1 4.19Å; Y342-V361 HydrophobicContact CD1-CG2 3.7Å; Y342-V361 HydrophobicContact CE1-CB 4.09Å; Y342-V361 HydrophobicContact CE1-CG2 3.64Å; Y342-V361 HydrophobicContact CG-CB 4.34Å; L343-V361 PolarHBondContact N-O 3.47Å; L344-V361 HydrophobicContact CD2-CG1 4Å; T359-V361 HydrophobicContact CG2-CG2 4.33Å; V361-V380 HydrophobicContact CG1-CB 4.47Å; V361-V380 HydrophobicContact CG2-CB 4.42Å; V361-L470 HydrophobicContact CG2-CD1 4Å; V361-L470 HydrophobicContact CG2-CD2 4.08Å
362L98.2Very high96.3Very high2 Ų219.5 Ų19.51%0.019%0.092CC..EExtended strand (participates in β ladder)trans-125140.5-171.6-58.6169000110L343 L347 V350 V360 I365 I369 V379 V380 C381L343-L362 HydrophobicContact CB-CD2 3.93Å; L343-L362 HydrophobicContact CD1-CD2 4.01Å; L343-L362 HydrophobicContact CG-CD2 4.19Å; L343-L362 CarbonylContact O-C 3.41Å; L347-L362 HydrophobicContact CD1-CD2 4.25Å; V350-L362 HydrophobicContact CB-CD1 4.34Å; V350-L362 HydrophobicContact CG1-CD1 3.93Å; V350-L362 HydrophobicContact CG2-CD1 4.27Å; V360-L362 HydrophobicContact CG1-CD1 4.23Å; V360-L362 HydrophobicContact CG1-CD2 3.77Å; V360-L362 HydrophobicContact CG1-CG 3.93Å; L362-I365 HydrophobicContact CB-CD1 4.2Å; L362-I365 HydrophobicContact CD1-CD1 3.78Å; L362-I369 HydrophobicContact CD1-CD1 3.48Å; L362-I369 VanDerWaalsContact CD1-CD1 3.48Å; L362-V379 HydrophobicContact CD1-CG1 4.32Å; L362-V380 PolarHBondContact N-O 2.79Å; L362-C381 HydrophobicContact CB-CB 4.07Å; L362-C381 HydrophobicContact CD1-CB 4.25Å
363G97.3Very high96.2Very high0 Ų021.1 Ų21.10%010%0.103CC..  trans-65.3173.8162.100000111.6L343 I365L343-G363 PolarHBondContact O-N 3.26Å; G363-I365 WeakPolarHBondContact O-CG1 3.41Å; G363-I365 PolarHBondContact O-N 3.03Å
364P98.1Very high96.2Very high0 Ų020.8 Ų20.80%010%0.102CC..  trans-54.6131.6-178-29.937.6000113.4P346 L347 V382 Y422 L425 H428 M429 V432 L434P346-P364 WeakPolarHBondContact CA-O 3.41Å; L347-P364 PolarHBondContact N-O 2.91Å; P364-V382 WeakPolarHBondContact CA-O 3.39Å; P364-V382 HydrophobicContact CB-CB 4.48Å; P364-Y422 WeakPolarHBondContact CD-OH 3.28Å; P364-L425 HydrophobicContact CG-CD1 3.73Å; P364-H428 HydrophobicContact CG-CB 3.82Å; P364-M429 HydrophobicContact CB-CG 4.13Å; P364-M429 HydrophobicContact CG-CB 4.21Å; P364-M429 HydrophobicContact CG-CG 3.42Å; P364-M429 VanDerWaalsContact CG-CG 3.42Å; P364-V432 HydrophobicContact CB-CG2 3.51Å; P364-L434 HydrophobicContact CB-CD1 4.4Å
365I97.9Very high96.4Very high0 Ų022.2 Ų22.20%011%0.109CC..EExtended strand (participates in β ladder)trans-111.9108.4-175.8-51.3170.4000108.8L347 V350 L362 G363 T367 S368 I369 C381 V382 A383 G384 L434L347-I365 HydrophobicContact CB-CG1 4.39Å; L347-I365 WeakPolarHBondContact O-CA 3.44Å; V350-I365 HydrophobicContact CB-CD1 4.05Å; V350-I365 HydrophobicContact CG2-CD1 3.67Å; V350-I365 HydrophobicContact CG2-CG1 4.01Å; V350-I365 HydrophobicContact CG2-CG2 4.29Å; L362-I365 HydrophobicContact CB-CD1 4.2Å; L362-I365 HydrophobicContact CD1-CD1 3.78Å; G363-I365 WeakPolarHBondContact O-CG1 3.41Å; G363-I365 PolarHBondContact O-N 3.03Å; I365-T367 PolarHBondContact O-N 3.06Å; I365-S368 WeakPolarHBondContact CG2-O 3.39Å; I365-I369 HydrophobicContact CD1-CB 3.81Å; I365-I369 HydrophobicContact CD1-CD1 4.1Å; I365-I369 HydrophobicContact CD1-CG1 4.39Å; I365-I369 HydrophobicContact CD1-CG2 4.36Å; I365-C381 HydrophobicContact CD1-CB 4.1Å; I365-V382 PolarHBondContact N-O 3.21Å; I365-A383 HydrophobicContact CB-CB 3.97Å; I365-A383 HydrophobicContact CD1-CB 4.31Å; I365-A383 WeakPolarHBondContact O-CA 3.14Å; I365-G384 PolarHBondContact O-N 3.03Å; I365-L434 WeakPolarHBondContact O-CD1 3.3Å
366E96.5Very high96.4Very high31 Ų3126.2 Ų26.215%0.14513%0.131CC..EExtended strand (participates in β ladder)trans-52.1-52.1-172.8-166.8-172172.300113.1R89 L347 R348 V432R89-E366 IonicContact CZ-OE1 3.96Å; R89-E366 IonicContact NH1-OE1 3.83Å; R89-E366 IonicContact NH2-OE1 3.77Å; R89-E366 PolarHBondContact NH2-OE1 3.5Å; L347-E366 WeakPolarHBondContact O-CB 3.47Å; L347-E366 PolarHBondContact O-N 3.29Å; R348-E366 WeakPolarHBondContact CD-OE2 3.35Å; R348-E366 IonicContact CZ-OE2 2.65Å; R348-E366 IonicContact NE-OE2 3.5Å; R348-E366 IonicContact NH1-OE1 3.54Å; R348-E366 PolarHBondContact NH1-OE1 2.91Å; R348-E366 IonicContact NH1-OE2 2.83Å; R348-E366 PolarHBondContact NH1-OE2 3.03Å; E366-V432 HydrophobicContact CB-CB 4.08Å; E366-V432 HydrophobicContact CB-CG1 4.34Å; E366-V432 HydrophobicContact CG-CB 4.2Å
367T95.4Very high96.5Very high6 Ų619.8 Ų19.84%0.03711%0.107CC..EExtended strand (participates in β ladder)trans-103.8-66.7-172.866.60000112.7L18 R348 I365 G384 R385L18-T367 HydrophobicContact CD1-CG2 4.21Å; L18-T367 WeakPolarHBondContact CD1-OG1 3.38Å; R348-T367 PolarHBondContact O-N 3.13Å; R348-T367 PolarHBondContact O-OG1 3.25Å; I365-T367 PolarHBondContact O-N 3.06Å; T367-G384 CarbonylContact O-C 3.52Å; T367-R385 PolarHBondContact O-N 2.91Å
368S95Very high96.7Very high21 Ų2119.9 Ų19.915%0.14710%0.104CC..EExtended strand (participates in β ladder)trans-159148.8-171.663.30000114.6S349 V350 I365 R385S349-S368 VanDerWaalsContact CA-O 3.31Å; S349-S368 WeakPolarHBondContact CA-O 3.31Å; S349-S368 WeakPolarHBondContact CB-O 3.35Å; V350-S368 PolarHBondContact N-O 3.43Å; I365-S368 WeakPolarHBondContact CG2-O 3.39Å; S368-R385 CarbonylContact C-O 3.58Å; S368-R385 WeakPolarHBondContact CA-O 3.39Å
369I97.5Very high96.9Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-111.3133.3164.4-179171.6000110.3V350 L352 L362 I365 I371 V379 A383 R385 L386 A387V350-I369 HydrophobicContact CB-CB 4.42Å; V350-I369 HydrophobicContact CB-CD1 4.48Å; V350-I369 HydrophobicContact CB-CG1 4.13Å; V350-I369 HydrophobicContact CG1-CD1 4.44Å; V350-I369 HydrophobicContact CG1-CG1 4.36Å; V350-I369 CarbonylContact O-C 3.57Å; V350-I369 VanDerWaalsContact O-CA 3.25Å; V350-I369 WeakPolarHBondContact O-CA 3.39Å; L352-I369 HydrophobicContact CD1-CD1 4.29Å; L362-I369 HydrophobicContact CD1-CD1 3.48Å; L362-I369 VanDerWaalsContact CD1-CD1 3.48Å; I365-I369 HydrophobicContact CD1-CB 3.81Å; I365-I369 HydrophobicContact CD1-CD1 4.1Å; I365-I369 HydrophobicContact CD1-CG1 4.39Å; I365-I369 HydrophobicContact CD1-CG2 4.36Å; I369-I371 HydrophobicContact CD1-CG1 4.43Å; I369-I371 HydrophobicContact CG1-CG1 4.29Å; I369-V379 HydrophobicContact CD1-CG1 3.77Å; I369-A383 HydrophobicContact CG2-CB 3.86Å; I369-R385 PolarHBondContact N-O 2.96Å; I369-L386 HydrophobicContact CG2-CB 4.16Å; I369-L386 HydrophobicContact CG2-CD1 3.59Å; I369-L386 HydrophobicContact CG2-CG 4.48Å; I369-A387 PolarHBondContact O-N 3.18Å
370H96.6Very high97Very high19 Ų1918.7 Ų18.79%0.08810%0.096CC..EExtended strand (participates in β ladder)trans-121.8118.7178.4-169.4-86.3000111.8Q22 V350 S351 L352 Q372 A387Q22-H370 PolarHBondContact NE2-CD2 3.39Å; Q22-H370 VanDerWaalsContact NE2-CD2 3.29Å; Q22-H370 PolarHBondContact NE2-CE1 3.11Å; Q22-H370 PolarHBondContact NE2-ND1 3.47Å; Q22-H370 VanDerWaalsContact NE2-ND1 3.13Å; Q22-H370 PolarHBondContact NE2-NE2 3.14Å; Q22-H370 VanDerWaalsContact NE2-NE2 3.2Å; Q22-H370 PolarHBondContact OE1-CE1 3.38Å; Q22-H370 PolarHBondContact OE1-ND1 2.95Å; Q22-H370 PolarHBondContact OE1-NE2 3.46Å; V350-H370 PolarHBondContact O-N 3.42Å; S351-H370 CarbonylContact C-O 3.56Å; S351-H370 VanDerWaalsContact CA-O 3.3Å; S351-H370 WeakPolarHBondContact CA-O 3.33Å; L352-H370 PolarHBondContact N-O 3.14Å; H370-Q372 PolarHBondContact CE1-OE1 3.25Å; H370-A387 CarbonylContact C-O 3.52Å; H370-A387 WeakPolarHBondContact CA-O 3.3Å
371I97.4Very high97.1Very high1 Ų118.7 Ų18.71%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-109.4117.8180-55.2173.1000108.6L352 I369 C374 V379 L386 A387 I388 G389 I396L352-I371 HydrophobicContact CB-CG1 4.41Å; L352-I371 WeakPolarHBondContact O-CA 3.3Å; I369-I371 HydrophobicContact CD1-CG1 4.43Å; I369-I371 HydrophobicContact CG1-CG1 4.29Å; I371-C374 HydrophobicContact CG2-CB 3.88Å; I371-V379 HydrophobicContact CD1-CB 4.19Å; I371-V379 HydrophobicContact CD1-CG1 4.38Å; I371-V379 HydrophobicContact CD1-CG2 3.76Å; I371-L386 HydrophobicContact CD1-CD1 4.04Å; I371-A387 PolarHBondContact N-O 2.76Å; I371-I388 HydrophobicContact CB-CG1 4.34Å; I371-I388 HydrophobicContact CB-CG2 4.34Å; I371-I388 HydrophobicContact CD1-CG1 4.25Å; I371-I388 HydrophobicContact CG2-CG2 4.49Å; I371-I388 CarbonylContact O-C 3.52Å; I371-I388 WeakPolarHBondContact O-CA 3.35Å; I371-G389 PolarHBondContact O-N 3.21Å; I371-I396 HydrophobicContact CD1-CG1 3.73Å
372Q94.3Very high97.1Very high24 Ų2418.6 Ų18.611%0.11210%0.096CC..EExtended strand (participates in β ladder)trans-133.8134.2-174.6-168.466.71.900111.8L352 D353 K354 H370 C374 G389L352-Q372 PolarHBondContact O-N 3.11Å; D353-Q372 WeakPolarHBondContact CA-O 3.13Å; K354-Q372 PolarHBondContact N-O 3.3Å; H370-Q372 PolarHBondContact CE1-OE1 3.25Å; Q372-C374 PolarHBondContact O-N 2.97Å; Q372-C374 VanDerWaalsContact O-N 3.12Å; Q372-C374 PolarHBondContact O-SG 3.17Å; Q372-C374 VanDerWaalsContact O-SG 3.41Å; Q372-G389 WeakPolarHBondContact CA-O 3.47Å; Q372-G389 VanDerWaalsContact OE1-C 3.24Å; Q372-G389 VanDerWaalsContact OE1-CA 3.23Å; Q372-G389 PolarHBondContact OE1-O 3.21Å; Q372-G389 VanDerWaalsContact OE1-O 3.11Å
373S94.6Very high97.1Very high34 Ų3418.6 Ų18.624%0.23810%0.095CC..SBendtrans55.532.2173.1-58.80000113.5K354 G389 S390 S391K354-S373 VanDerWaalsContact CA-O 3.3Å; K354-S373 WeakPolarHBondContact CA-O 3.38Å; S373-G389 PolarHBondContact N-O 2.85Å; S373-S390 WeakPolarHBondContact CA-O 3.41Å; S373-S390 PolarHBondContact N-O 3.34Å; S373-S391 PolarHBondContact N-OG 2.87Å
374C96.4Very high97.1Very high2 Ų218.6 Ų18.61%0.01410%0.096CC..  trans-96.6150.6179.8-70.60000111.1C355 I371 Q372 V377 S391 S392C355-C374 CarbonylContact O-C 3.57Å; C355-C374 VanDerWaalsContact O-CA 3.23Å; C355-C374 WeakPolarHBondContact O-CA 3.39Å; I371-C374 HydrophobicContact CG2-CB 3.88Å; Q372-C374 PolarHBondContact O-N 2.97Å; Q372-C374 VanDerWaalsContact O-N 3.12Å; Q372-C374 PolarHBondContact O-SG 3.17Å; Q372-C374 VanDerWaalsContact O-SG 3.41Å; C374-V377 HydrophobicContact CB-CB 4.35Å; C374-V377 HydrophobicContact CB-CG2 3.93Å; C374-S391 PolarHBondContact N-OG 3.23Å; C374-S391 VanDerWaalsContact N-OG 3.15Å; C374-S391 CarbonylContact O-C 3.49Å; C374-S391 WeakPolarHBondContact O-CA 3.33Å; C374-S391 WeakPolarHBondContact O-CB 3.48Å; C374-S392 PolarHBondContact O-N 2.92Å
375E97.7Very high97Very high81 Ų8119.1 Ų19.138%0.37910%0.098SC..EExtended strand (participates in β ladder)trans-134.4126.5-178.1-173.9-176.9175.100110.3C355 R356 N357 V377 S392C355-E375 PolarHBondContact O-N 3.47Å; R356-E375 CarbonylContact C-O 3.29Å; R356-E375 WeakPolarHBondContact CA-O 3.36Å; R356-E375 HydrophobicContact CG-CB 4.12Å; R356-E375 IonicContact CZ-OE2 2.73Å; R356-E375 IonicContact NE-OE2 3.15Å; R356-E375 PolarHBondContact NE-OE2 3.45Å; N357-E375 PolarHBondContact N-O 2.98Å; E375-V377 VanDerWaalsContact C-N 3.3Å; E375-V377 PolarHBondContact O-N 3.36Å; E375-S392 CarbonylContact C-O 3.5Å; E375-S392 VanDerWaalsContact CA-O 3.3Å; E375-S392 WeakPolarHBondContact CA-O 3.31Å
376N96.9Very high96.9Very high86 Ų8619.2 Ų19.246%0.4610%0.098SC..EExtended strand (participates in β ladder)trans52.447.9179.1-171.335.4000112.5N357 S358 S392 Y393N357-N376 WeakPolarHBondContact CA-O 3.23Å; N357-N376 PolarHBondContact N-O 3.26Å; N357-N376 VanDerWaalsContact N-O 3.17Å; N357-N376 PolarHBondContact OD1-ND2 2.9Å; S358-N376 PolarHBondContact N-O 2.77Å; N376-S392 PolarHBondContact N-O 2.79Å; N376-Y393 WeakPolarHBondContact CA-O 3.3Å
377V98Very high96.9Very high3 Ų318.2 Ų18.22%0.01810%0.096CC..EExtended strand (participates in β ladder)trans-108.4131.6178.71770000109.8L352 C355 S358 V360 C374 E375 V379 C394 T395L352-V377 HydrophobicContact CD2-CG1 4.21Å; C355-V377 HydrophobicContact CB-CG2 4.08Å; C355-V377 WeakPolarHBondContact O-CG2 3.33Å; S358-V377 CarbonylContact O-C 3.53Å; S358-V377 VanDerWaalsContact O-CA 3.29Å; S358-V377 WeakPolarHBondContact O-CA 3.22Å; S358-V377 WeakPolarHBondContact O-CG1 3.43Å; V360-V377 HydrophobicContact CG2-CG1 4.44Å; C374-V377 HydrophobicContact CB-CB 4.35Å; C374-V377 HydrophobicContact CB-CG2 3.93Å; E375-V377 VanDerWaalsContact C-N 3.3Å; E375-V377 PolarHBondContact O-N 3.36Å; V377-V379 HydrophobicContact CG1-CG2 3.81Å; V377-C394 CarbonylContact O-C 3.27Å; V377-C394 WeakPolarHBondContact O-CA 3.28Å; V377-C394 WeakPolarHBondContact O-CB 3.47Å; V377-T395 PolarHBondContact O-N 2.85Å
378K97.9Very high97Very high79 Ų7918 Ų1834%0.3439%0.094SC..EExtended strand (participates in β ladder)trans-97.2126.6169.6-173.5-179.6-66.6-176.40109.4S358 T359 V360 T395S358-K378 PolarHBondContact O-N 2.76Å; T359-K378 CarbonylContact C-O 3.54Å; T359-K378 WeakPolarHBondContact CA-O 3.33Å; T359-K378 HydrophobicContact CG2-CB 4.36Å; T359-K378 HydrophobicContact CG2-CD 4.36Å; V360-K378 PolarHBondContact N-O 2.91Å; K378-T395 CarbonylContact C-O 3.59Å; K378-T395 VanDerWaalsContact CA-O 3.28Å; K378-T395 WeakPolarHBondContact CA-O 3.4Å
379V98.6Very high96.8Very high1 Ų117 Ų171%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-122.6132.6176.6-175.90000109.7L352 V360 L362 I369 I371 V377 C381 T395 I396 H397L352-V379 HydrophobicContact CD2-CG2 3.6Å; V360-V379 CarbonylContact O-C 3.58Å; V360-V379 VanDerWaalsContact O-CA 3.31Å; V360-V379 WeakPolarHBondContact O-CA 3.49Å; L362-V379 HydrophobicContact CD1-CG1 4.32Å; I369-V379 HydrophobicContact CD1-CG1 3.77Å; I371-V379 HydrophobicContact CD1-CB 4.19Å; I371-V379 HydrophobicContact CD1-CG1 4.38Å; I371-V379 HydrophobicContact CD1-CG2 3.76Å; V377-V379 HydrophobicContact CG1-CG2 3.81Å; V379-C381 HydrophobicContact CG1-CB 4.45Å; V379-T395 PolarHBondContact N-O 2.86Å; V379-I396 HydrophobicContact CB-CG1 4.48Å; V379-I396 HydrophobicContact CB-CG2 4.46Å; V379-I396 WeakPolarHBondContact O-CA 3.44Å; V379-H397 PolarHBondContact O-N 3.38Å
380V98.4Very high96.6Very high0 Ų019.4 Ų19.40%010%0.104CC..EExtended strand (participates in β ladder)trans-124.7116.2174.6-170.10000108.4V360 V361 L362 H397 F418 T420 L470V360-V380 PolarHBondContact O-N 2.87Å; V361-V380 HydrophobicContact CG1-CB 4.47Å; V361-V380 HydrophobicContact CG2-CB 4.42Å; L362-V380 PolarHBondContact N-O 2.79Å; V380-H397 WeakPolarHBondContact CA-O 3.31Å; V380-H397 HydrophobicContact CB-CB 4.46Å; V380-H397 HydrophobicContact CG1-CB 4.18Å; V380-H397 HydrophobicContact CG2-CB 4.19Å; V380-F418 HydrophobicContact CG1-CD2 3.79Å; V380-F418 HydrophobicContact CG1-CE2 3.77Å; V380-T420 HydrophobicContact CG1-CG2 3.54Å; V380-L470 HydrophobicContact CG2-CD1 4.34Å
381C98.2Very high96.5Very high0 Ų018.5 Ų18.50%010%0.1CC..EExtended strand (participates in β ladder)trans-154.2152.6-173.662.30000114.2L362 I365 V379 H397 A398 L399L362-C381 HydrophobicContact CB-CB 4.07Å; L362-C381 HydrophobicContact CD1-CB 4.25Å; I365-C381 HydrophobicContact CD1-CB 4.1Å; V379-C381 HydrophobicContact CG1-CB 4.45Å; C381-H397 PolarHBondContact N-O 2.81Å; C381-A398 VanDerWaalsContact O-CA 3.32Å; C381-A398 WeakPolarHBondContact O-CA 3.32Å; C381-L399 PolarHBondContact O-N 3.42Å; C381-L399 VanDerWaalsContact O-N 3.16Å
382V98.4Very high96.5Very high1 Ų120.1 Ų20.11%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-102.4127.6160.2-176.90000107.2P364 I365 L399 F418 M429 L434P364-V382 WeakPolarHBondContact CA-O 3.39Å; P364-V382 HydrophobicContact CB-CB 4.48Å; I365-V382 PolarHBondContact N-O 3.21Å; V382-L399 WeakPolarHBondContact CA-O 3.3Å; V382-L399 HydrophobicContact CB-CB 4.48Å; V382-L399 HydrophobicContact CG1-CB 4.22Å; V382-L399 HydrophobicContact CG1-CD2 4.19Å; V382-L399 HydrophobicContact CG2-CB 4.11Å; V382-F418 HydrophobicContact CG2-CD1 4.26Å; V382-F418 HydrophobicContact CG2-CD2 4.02Å; V382-F418 HydrophobicContact CG2-CE1 3.98Å; V382-F418 HydrophobicContact CG2-CE2 3.74Å; V382-F418 HydrophobicContact CG2-CG 4.27Å; V382-F418 HydrophobicContact CG2-CZ 3.72Å; V382-M429 HydrophobicContact CG1-CE 4.12Å; V382-M429 HydrophobicContact CG1-CG 4.31Å; V382-M429 HydrophobicContact CG1-SD 4.38Å; V382-M429 HydrophobicContact CG2-SD 4.27Å; V382-L434 HydrophobicContact CG1-CB 4.33Å; V382-L434 HydrophobicContact CG1-CD1 3.95Å
383A97.8Very high96.6Very high1 Ų125.8 Ų25.81%0.00813%0.133CC..BIsolated β-bridgetrans-149.4144.6-175.200000113.4I365 I369 R385 L399 T400 P401I365-A383 HydrophobicContact CB-CB 3.97Å; I365-A383 HydrophobicContact CD1-CB 4.31Å; I365-A383 WeakPolarHBondContact O-CA 3.14Å; I369-A383 HydrophobicContact CG2-CB 3.86Å; A383-R385 PolarHBondContact O-N 2.96Å; A383-L399 PolarHBondContact N-O 2.89Å; A383-T400 VanDerWaalsContact O-CA 3.3Å; A383-T400 WeakPolarHBondContact O-CA 3.46Å; A383-T400 WeakPolarHBondContact O-CB 3.44Å; A383-T400 PolarHBondContact O-OG1 2.93Å; A383-P401 WeakPolarHBondContact O-CD 3.48Å
384G96.6Very high96.7Very high1 Ų124.2 Ų24.21%0.0112%0.122CC..SBendtrans-55.8-38.9170.600000112.5I365 T367 T400 T402I365-G384 PolarHBondContact O-N 3.03Å; T367-G384 CarbonylContact O-C 3.52Å; G384-T400 PolarHBondContact O-OG1 3.33Å; G384-T402 WeakPolarHBondContact O-CG2 3.49Å; G384-T402 PolarHBondContact O-OG1 3.01Å
385R95.9Very high96.8Very high11 Ų1125.7 Ų25.74%0.04213%0.131CC..  trans-149.4146.2173.9-179.8180-70.9168-5.8113E76 T77 L80 T367 S368 I369 A383 T402E76-R385 IonicContact OE2-CZ 3.83Å; E76-R385 IonicContact OE2-NE 3.71Å; E76-R385 IonicContact OE2-NH2 3.32Å; E76-R385 PolarHBondContact OE2-NH2 2.68Å; T77-R385 VanDerWaalsContact CA-NH2 3.34Å; T77-R385 VanDerWaalsContact CB-NH1 3.31Å; T77-R385 VanDerWaalsContact CG2-NH1 3.34Å; T77-R385 VanDerWaalsContact N-NH2 3.18Å; T77-R385 PolarHBondContact OG1-NH1 3.22Å; T77-R385 PolarHBondContact OG1-NH2 3.47Å; L80-R385 HydrophobicContact CD1-CB 4.28Å; T367-R385 PolarHBondContact O-N 2.91Å; S368-R385 CarbonylContact C-O 3.58Å; S368-R385 WeakPolarHBondContact CA-O 3.39Å; I369-R385 PolarHBondContact N-O 2.96Å; A383-R385 PolarHBondContact O-N 2.96Å; R385-T402 WeakPolarHBondContact CA-OG1 3.32Å
386L97.3Very high96.9Very high1 Ų121.9 Ų21.91%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-113.8133.7171.1171.462.4000110.7I369 I371 I388 I396 A398 P404 L405I369-L386 HydrophobicContact CG2-CB 4.16Å; I369-L386 HydrophobicContact CG2-CD1 3.59Å; I369-L386 HydrophobicContact CG2-CG 4.48Å; I371-L386 HydrophobicContact CD1-CD1 4.04Å; L386-I388 HydrophobicContact CD1-CD1 4.2Å; L386-I388 HydrophobicContact CD1-CG1 3.89Å; L386-I388 HydrophobicContact CD2-CD1 4.14Å; L386-I388 HydrophobicContact CG-CD1 4.17Å; L386-I388 HydrophobicContact CG-CG1 4.16Å; L386-I396 HydrophobicContact CD1-CG2 4.12Å; L386-I396 HydrophobicContact CD2-CB 4.41Å; L386-I396 HydrophobicContact CD2-CG2 3.54Å; L386-A398 HydrophobicContact CD2-CB 4.09Å; L386-P404 HydrophobicContact CB-CB 4.31Å; L386-P404 HydrophobicContact CD2-CB 3.97Å; L386-P404 HydrophobicContact CD2-CG 4.21Å; L386-P404 HydrophobicContact CG-CB 4.24Å; L386-L405 PolarHBondContact O-N 3.11Å
387A96.4Very high96.9Very high11 Ų1118.1 Ų18.19%0.0919%0.093CC..EExtended strand (participates in β ladder)trans-134.4132.9172.300000111.1I369 H370 I371 L405I369-A387 PolarHBondContact O-N 3.18Å; H370-A387 CarbonylContact C-O 3.52Å; H370-A387 WeakPolarHBondContact CA-O 3.3Å; I371-A387 PolarHBondContact N-O 2.76Å; A387-L405 CarbonylContact C-O 3.53Å; A387-L405 WeakPolarHBondContact CA-O 3.39Å; A387-L405 HydrophobicContact CB-CB 4.07Å; A387-L405 HydrophobicContact CB-CD1 4.42Å
388I96.2Very high97Very high0 Ų018.2 Ų18.20%09%0.093CC..EExtended strand (participates in β ladder)trans-132.2126.2-174.6-52.1162.9000109.2I371 L386 I396 L405 L406 L407 N410 L413 L415I371-I388 HydrophobicContact CB-CG1 4.34Å; I371-I388 HydrophobicContact CB-CG2 4.34Å; I371-I388 HydrophobicContact CD1-CG1 4.25Å; I371-I388 HydrophobicContact CG2-CG2 4.49Å; I371-I388 CarbonylContact O-C 3.52Å; I371-I388 WeakPolarHBondContact O-CA 3.35Å; L386-I388 HydrophobicContact CD1-CD1 4.2Å; L386-I388 HydrophobicContact CD1-CG1 3.89Å; L386-I388 HydrophobicContact CD2-CD1 4.14Å; L386-I388 HydrophobicContact CG-CD1 4.17Å; L386-I388 HydrophobicContact CG-CG1 4.16Å; I388-I396 HydrophobicContact CD1-CB 4.46Å; I388-I396 HydrophobicContact CD1-CD1 3.64Å; I388-I396 HydrophobicContact CD1-CG1 3.81Å; I388-L405 PolarHBondContact N-O 2.8Å; I388-L406 HydrophobicContact CB-CD2 4.25Å; I388-L406 HydrophobicContact CD1-CD2 3.99Å; I388-L407 WeakPolarHBondContact O-CB 3.41Å; I388-L407 PolarHBondContact O-N 2.92Å; I388-N410 PolarHBondContact O-ND2 2.81Å; I388-L413 HydrophobicContact CB-CD1 4.33Å; I388-L413 HydrophobicContact CD1-CD1 4.38Å; I388-L413 HydrophobicContact CG2-CD1 3.75Å; I388-L413 HydrophobicContact CG2-CD2 4.15Å; I388-L415 HydrophobicContact CD1-CD2 4.06Å
389G92.7Very high97Very high1 Ų114.7 Ų14.71%0.018%0.078CC..EExtended strand (participates in β ladder)trans-140151.217800000113.3I371 Q372 S373 S391 N410I371-G389 PolarHBondContact O-N 3.21Å; Q372-G389 WeakPolarHBondContact CA-O 3.47Å; Q372-G389 VanDerWaalsContact OE1-C 3.24Å; Q372-G389 VanDerWaalsContact OE1-CA 3.23Å; Q372-G389 PolarHBondContact OE1-O 3.21Å; Q372-G389 VanDerWaalsContact OE1-O 3.11Å; S373-G389 PolarHBondContact N-O 2.85Å; G389-S391 PolarHBondContact O-N 3.43Å; G389-S391 PolarHBondContact O-OG 2.88Å; G389-N410 VanDerWaalsContact CA-OD1 3.28Å; G389-N410 WeakPolarHBondContact CA-OD1 3.24Å
390S91.8Very high96.9Very high50 Ų5014.6 Ų14.635%0.358%0.078SC..SBendtrans46.834.5174.4-56.90000114.6S373 P408 G409 N410S373-S390 WeakPolarHBondContact CA-O 3.41Å; S373-S390 PolarHBondContact N-O 3.34Å; S390-P408 PolarHBondContact N-O 3.47Å; S390-P408 PolarHBondContact OG-O 3.45Å; S390-G409 CarbonylContact C-O 3.55Å; S390-G409 VanDerWaalsContact CA-O 3.27Å; S390-G409 WeakPolarHBondContact CA-O 3.23Å; S390-N410 PolarHBondContact N-OD1 3.37Å
391S95Very high96.8Very high0 Ų016.7 Ų16.70%09%0.092CC..  trans-121.1147.7-171.4-620000112.1S373 C374 G389 N410 T411S373-S391 PolarHBondContact N-OG 2.87Å; C374-S391 PolarHBondContact N-OG 3.23Å; C374-S391 VanDerWaalsContact N-OG 3.15Å; C374-S391 CarbonylContact O-C 3.49Å; C374-S391 WeakPolarHBondContact O-CA 3.33Å; C374-S391 WeakPolarHBondContact O-CB 3.48Å; G389-S391 PolarHBondContact O-N 3.43Å; G389-S391 PolarHBondContact O-OG 2.88Å; S391-N410 PolarHBondContact N-OD1 2.91Å; S391-N410 CarbonylContact O-C 3.54Å; S391-N410 VanDerWaalsContact O-CA 3.23Å; S391-N410 WeakPolarHBondContact O-CA 3.22Å; S391-T411 PolarHBondContact O-N 2.89Å
392S96.4Very high96.6Very high35 Ų3517.2 Ų17.225%0.2459%0.094CC..BIsolated β-bridgetrans-127.7140.5-172-52.50000112.4C374 E375 N376 C394 T411C374-S392 PolarHBondContact O-N 2.92Å; E375-S392 CarbonylContact C-O 3.5Å; E375-S392 VanDerWaalsContact CA-O 3.3Å; E375-S392 WeakPolarHBondContact CA-O 3.31Å; N376-S392 PolarHBondContact N-O 2.79Å; S392-C394 PolarHBondContact O-N 2.89Å; S392-C394 PolarHBondContact O-SG 3.46Å; S392-C394 VanDerWaalsContact O-SG 3.33Å; S392-T411 CarbonylContact C-O 3.49Å; S392-T411 VanDerWaalsContact CA-O 3.24Å; S392-T411 WeakPolarHBondContact CA-O 3.44Å
393Y96.8Very high96.5Very high144 Ų14421 Ų2157%0.56511%0.109SC*.SBendtrans54.625.2175.6-55.1-80.2000114.4N376 T411 A412N376-Y393 WeakPolarHBondContact CA-O 3.3Å; Y393-T411 PolarHBondContact N-O 3.22Å; Y393-A412 WeakPolarHBondContact CA-O 2.97Å; Y393-A412 HydrophobicContact CD1-CB 3.83Å; Y393-A412 HydrophobicContact CE1-CB 3.88Å
394C98.2Very high96.5Very high1 Ų120.9 Ų20.91%0.00711%0.108CC..  trans-87141.9-179.8-65.70000110.6V377 S392 I396 L413 T414V377-C394 CarbonylContact O-C 3.27Å; V377-C394 WeakPolarHBondContact O-CA 3.28Å; V377-C394 WeakPolarHBondContact O-CB 3.47Å; S392-C394 PolarHBondContact O-N 2.89Å; S392-C394 PolarHBondContact O-SG 3.46Å; S392-C394 VanDerWaalsContact O-SG 3.33Å; C394-I396 HydrophobicContact CB-CD1 3.9Å; C394-L413 HydrophobicContact CB-CD2 3.9Å; C394-L413 WeakPolarHBondContact O-CA 3.31Å; C394-T414 PolarHBondContact O-N 2.9Å
395T98.2Very high96.5Very high32 Ų3221.1 Ų21.120%0.19611%0.109CC..EExtended strand (participates in β ladder)trans-113.2121.6175.2-57.30000109.3V377 K378 V379 H397 T414V377-T395 PolarHBondContact O-N 2.85Å; K378-T395 CarbonylContact C-O 3.59Å; K378-T395 VanDerWaalsContact CA-O 3.28Å; K378-T395 WeakPolarHBondContact CA-O 3.4Å; V379-T395 PolarHBondContact N-O 2.86Å; T395-H397 WeakPolarHBondContact CG2-NE2 3.31Å; T395-T414 CarbonylContact C-O 3.54Å; T395-T414 VanDerWaalsContact CA-O 3.31Å; T395-T414 WeakPolarHBondContact CA-O 3.21Å; T395-T414 HydrophobicContact CG2-CG2 4.22Å
396I98.6Very high96.4Very high1 Ų120.9 Ų20.91%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-119.3119.6-177.3-56.480.3000109I371 V379 L386 I388 C394 A398 T414 L415 G416I371-I396 HydrophobicContact CD1-CG1 3.73Å; V379-I396 HydrophobicContact CB-CG1 4.48Å; V379-I396 HydrophobicContact CB-CG2 4.46Å; V379-I396 WeakPolarHBondContact O-CA 3.44Å; L386-I396 HydrophobicContact CD1-CG2 4.12Å; L386-I396 HydrophobicContact CD2-CB 4.41Å; L386-I396 HydrophobicContact CD2-CG2 3.54Å; I388-I396 HydrophobicContact CD1-CB 4.46Å; I388-I396 HydrophobicContact CD1-CD1 3.64Å; I388-I396 HydrophobicContact CD1-CG1 3.81Å; C394-I396 HydrophobicContact CB-CD1 3.9Å; I396-A398 HydrophobicContact CG2-CB 4.34Å; I396-T414 PolarHBondContact N-O 2.92Å; I396-L415 HydrophobicContact CB-CD2 4.06Å; I396-L415 HydrophobicContact CD1-CD2 4.39Å; I396-L415 WeakPolarHBondContact O-CA 3.41Å; I396-G416 PolarHBondContact O-N 3.33Å
397H98.5Very high96.2Very high8 Ų821.3 Ų21.34%0.03711%0.111CC..EExtended strand (participates in β ladder)trans-104.7113.5173.5-64.2-92.5000109.1V379 V380 C381 T395 G416 P417 H419 L462V379-H397 PolarHBondContact O-N 3.38Å; V380-H397 WeakPolarHBondContact CA-O 3.31Å; V380-H397 HydrophobicContact CB-CB 4.46Å; V380-H397 HydrophobicContact CG1-CB 4.18Å; V380-H397 HydrophobicContact CG2-CB 4.19Å; C381-H397 PolarHBondContact N-O 2.81Å; T395-H397 WeakPolarHBondContact CG2-NE2 3.31Å; H397-G416 VanDerWaalsContact CA-O 3.29Å; H397-G416 WeakPolarHBondContact CA-O 3.37Å; H397-P417 WeakPolarHBondContact CB-O 3.49Å; H397-P417 PolarHBondContact ND1-O 2.88Å; H397-H419 WeakPolarHBondContact CB-ND1 3.14Å; H397-H419 AromaticContact CD2-CE1 3.46Å; H397-H419 PolarHBondContact CD2-CE1 3.16Å; H397-H419 VanDerWaalsContact CD2-CE1 3.46Å; H397-H419 AromaticContact CE1-CE1 3.51Å; H397-H419 AromaticContact CE1-ND1 3.66Å; H397-H419 AromaticContact CG-CE1 3.17Å; H397-H419 AromaticContact CG-ND1 3.32Å; H397-H419 VanDerWaalsContact CG-ND1 3.32Å; H397-H419 AromaticContact ND1-CE1 3.26Å; H397-H419 PolarHBondContact ND1-CE1 3.16Å; H397-H419 VanDerWaalsContact ND1-CE1 3.26Å; H397-H419 AromaticContact ND1-ND1 3.08Å; H397-H419 PolarHBondContact ND1-ND1 2.88Å; H397-H419 AromaticContact NE2-CE1 3.66Å; H397-L462 VanDerWaalsContact CE1-CD2 3.45Å; H397-L462 WeakPolarHBondContact CE1-CD2 3.4Å
398A98.1Very high95.7Very high4 Ų423.4 Ų23.43%0.03312%0.123CC..EExtended strand (participates in β ladder)trans-131.3147.2-168.700000113.3C381 L386 I396 G416 F418 W441C381-A398 VanDerWaalsContact O-CA 3.32Å; C381-A398 WeakPolarHBondContact O-CA 3.32Å; L386-A398 HydrophobicContact CD2-CB 4.09Å; I396-A398 HydrophobicContact CG2-CB 4.34Å; A398-G416 PolarHBondContact N-O 2.79Å; A398-G416 VanDerWaalsContact N-O 3.11Å; A398-F418 PolarHBondContact O-N 2.96Å; A398-F418 VanDerWaalsContact O-N 3.14Å; A398-W441 HydrophobicContact CB-CB 4.28Å; A398-W441 WeakPolarHBondContact O-CB 3.44Å
399L98.4Very high95.3Very high5 Ų526 Ų263%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-117117.5157.2-167.7169.1000105.7C381 V382 A383 F418 M429 A435 V436C381-L399 PolarHBondContact O-N 3.42Å; C381-L399 VanDerWaalsContact O-N 3.16Å; V382-L399 WeakPolarHBondContact CA-O 3.3Å; V382-L399 HydrophobicContact CB-CB 4.48Å; V382-L399 HydrophobicContact CG1-CB 4.22Å; V382-L399 HydrophobicContact CG1-CD2 4.19Å; V382-L399 HydrophobicContact CG2-CB 4.11Å; A383-L399 PolarHBondContact N-O 2.89Å; L399-F418 HydrophobicContact CB-CB 3.77Å; L399-F418 HydrophobicContact CB-CG 4.2Å; L399-M429 HydrophobicContact CD1-CE 4.2Å; L399-A435 WeakPolarHBondContact CD2-O 3.31Å; L399-V436 HydrophobicContact CD1-CB 4.5Å; L399-V436 HydrophobicContact CD1-CG1 4.43Å
400T97.4Very high95.3Very high0 Ų026.4 Ų26.40%015%0.152CC..  trans-150.2134.8-177.5-175.20000111.7A383 G384 T402 P404 N439 A440 W441A383-T400 VanDerWaalsContact O-CA 3.3Å; A383-T400 WeakPolarHBondContact O-CA 3.46Å; A383-T400 WeakPolarHBondContact O-CB 3.44Å; A383-T400 PolarHBondContact O-OG1 2.93Å; G384-T400 PolarHBondContact O-OG1 3.33Å; T400-T402 VanDerWaalsContact CG2-O 3.24Å; T400-T402 WeakPolarHBondContact CG2-O 3.46Å; T400-T402 PolarHBondContact O-N 2.9Å; T400-P404 HydrophobicContact CG2-CG 4.17Å; T400-N439 PolarHBondContact N-OD1 2.88Å; T400-N439 VanDerWaalsContact N-OD1 3.15Å; T400-N439 CarbonylContact O-C 3.51Å; T400-N439 WeakPolarHBondContact O-CA 3.31Å; T400-N439 PolarHBondContact O-OD1 3.22Å; T400-A440 PolarHBondContact O-N 3.49Å; T400-W441 HydrophobicContact CG2-CB 4.39Å
401P95.7Very high95.4Very high44 Ų4427.4 Ų27.429%0.28616%0.156SC..SBendtrans-74.5-13.8178.830.7-34.8000113.1A383 L434 P438A383-P401 WeakPolarHBondContact O-CD 3.48Å; P401-L434 HydrophobicContact CG-CD2 4.3Å; P401-P438 VanDerWaalsContact CA-O 3.28Å; P401-P438 WeakPolarHBondContact CA-O 3.47Å; P401-P438 HydrophobicContact CB-CG 3.9Å
402T95.3Very high95.4Very high10 Ų1029.2 Ų29.26%0.06117%0.171CC..SBendtrans-112.8156.2-177.765.80000111.4E76 G384 R385 T400 P404E76-T402 VanDerWaalsContact CD-CG2 3.44Å; E76-T402 HydrophobicContact CG-CG2 4.3Å; E76-T402 WeakPolarHBondContact OE2-CG2 3.22Å; G384-T402 WeakPolarHBondContact O-CG2 3.49Å; G384-T402 PolarHBondContact O-OG1 3.01Å; R385-T402 WeakPolarHBondContact CA-OG1 3.32Å; T400-T402 VanDerWaalsContact CG2-O 3.24Å; T400-T402 WeakPolarHBondContact CG2-O 3.46Å; T400-T402 PolarHBondContact O-N 2.9Å; T402-P404 WeakPolarHBondContact O-CD 3.27Å
403R95.9Very high95.4Very high80 Ų8027.6 Ų27.630%0.30216%0.16SC..PPolyproline II helixtrans-65.2125.6179-68.8-18064.3-167.6-0.9110.2D69 L405 A440 Q443 P444 L445D69-R403 VanDerWaalsContact CG-NH1 3.33Å; D69-R403 IonicContact OD1-NH1 2.77Å; D69-R403 IonicContact OD2-CZ 3.82Å; D69-R403 IonicContact OD2-NH1 3.09Å; D69-R403 PolarHBondContact OD2-NH1 3.39Å; R403-L405 PolarHBondContact O-N 2.99Å; R403-A440 HydrophobicContact CG-CB 4.46Å; R403-Q443 WeakPolarHBondContact CB-O 3.24Å; R403-Q443 HydrophobicContact CG-CB 4.25Å; R403-Q443 WeakPolarHBondContact CG-O 3.45Å; R403-Q443 PolarHBondContact NE-O 3.41Å; R403-P444 PolarHBondContact NH2-O 2.84Å; R403-L445 HydrophobicContact CB-CB 4.25Å
404P97.3Very high95.5Very high0 Ų021.2 Ų21.20%014%0.136CC..PPolyproline II helixtrans-56132.1174.6-28.335.5000112.3L386 T400 T402 A440 P444 L445L386-P404 HydrophobicContact CB-CB 4.31Å; L386-P404 HydrophobicContact CD2-CB 3.97Å; L386-P404 HydrophobicContact CD2-CG 4.21Å; L386-P404 HydrophobicContact CG-CB 4.24Å; T400-P404 HydrophobicContact CG2-CG 4.17Å; T402-P404 WeakPolarHBondContact O-CD 3.27Å; P404-A440 WeakPolarHBondContact CD-O 3.35Å; P404-P444 HydrophobicContact CB-CB 4.38Å; P404-P444 CarbonylContact O-C 3.56Å; P404-P444 WeakPolarHBondContact O-CA 3.27Å; P404-L445 PolarHBondContact O-N 2.94Å
405L95.9Very high95.5Very high6 Ų621.3 Ų21.33%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-89.9118.4-179.7-51.3-177.2000110.3L21 L73 L386 A387 I388 R403 L445 V447L21-L405 HydrophobicContact CD2-CD1 4.46Å; L73-L405 HydrophobicContact CD1-CD1 3.74Å; L73-L405 HydrophobicContact CD1-CD2 3.88Å; L73-L405 HydrophobicContact CD1-CG 4.43Å; L73-L405 HydrophobicContact CD2-CD1 4.14Å; L73-L405 HydrophobicContact CD2-CD2 4.06Å; L386-L405 PolarHBondContact O-N 3.11Å; A387-L405 CarbonylContact C-O 3.53Å; A387-L405 WeakPolarHBondContact CA-O 3.39Å; A387-L405 HydrophobicContact CB-CB 4.07Å; A387-L405 HydrophobicContact CB-CD1 4.42Å; I388-L405 PolarHBondContact N-O 2.8Å; R403-L405 PolarHBondContact O-N 2.99Å; L405-L445 HydrophobicContact CD2-CB 4.17Å; L405-L445 HydrophobicContact CD2-CD2 4.11Å; L405-V447 HydrophobicContact CB-CG2 4.5Å; L405-V447 HydrophobicContact CD2-CG2 4.38Å
406L94.9Very high95.5Very high5 Ų519.8 Ų19.83%0.02613%0.127CC..EExtended strand (participates in β ladder)trans-100.1101.8172.9-57-174.6000109I388 L413 P444 L445 L446 V447 Y459I388-L406 HydrophobicContact CB-CD2 4.25Å; I388-L406 HydrophobicContact CD1-CD2 3.99Å; L406-L413 HydrophobicContact CD2-CD1 3.91Å; L406-P444 HydrophobicContact CD1-CB 3.7Å; L406-P444 HydrophobicContact CD1-CG 4.16Å; L406-P444 HydrophobicContact CG-CB 3.83Å; L406-L445 PolarHBondContact N-O 3.38Å; L406-L446 HydrophobicContact CB-CG 4.43Å; L406-L446 HydrophobicContact CD1-CG 4.46Å; L406-V447 PolarHBondContact O-N 2.88Å; L406-Y459 HydrophobicContact CD1-CD1 3.35Å; L406-Y459 HydrophobicContact CD1-CD2 4.36Å; L406-Y459 HydrophobicContact CD1-CE1 3.87Å; L406-Y459 HydrophobicContact CD1-CG 3.63Å
407L91.7Very high95.5Very high11 Ų1119.9 Ų19.96%0.05813%0.128CC..  trans-80167.1176.5-51.6-177.6000110.7Q22 I388 N410 V447Q22-L407 HydrophobicContact CB-CD1 4Å; I388-L407 WeakPolarHBondContact O-CB 3.41Å; I388-L407 PolarHBondContact O-N 2.92Å; L407-N410 PolarHBondContact O-ND2 3.24Å; L407-V447 HydrophobicContact CD2-CB 4.01Å; L407-V447 HydrophobicContact CD2-CG1 4.43Å; L407-V447 HydrophobicContact CD2-CG2 4.44Å
408P87.8Confident95.4Very high54 Ų5419.9 Ų19.935%0.35113%0.127SC..THydrogen-bonded Turntrans-63.3154.1-176.9-23.435.7000114.4V23 S390 V447 V449V23-P408 HydrophobicContact CG2-CG 4.43Å; S390-P408 PolarHBondContact N-O 3.47Å; S390-P408 PolarHBondContact OG-O 3.45Å; P408-V447 VanDerWaalsContact CD-O 3.31Å; P408-V447 WeakPolarHBondContact CD-O 3.25Å; P408-V449 HydrophobicContact CG-CG2 4.16Å
409G87.8Confident95.3Very high54 Ų5419.9 Ų19.956%0.55713%0.127SC*.THydrogen-bonded Turntrans89.71017300000115.6S390S390-G409 CarbonylContact C-O 3.55Å; S390-G409 VanDerWaalsContact CA-O 3.27Å; S390-G409 WeakPolarHBondContact CA-O 3.23Å
410N91.2Very high95.2Very high11 Ų1119.8 Ų19.86%0.05913%0.126CC..  trans-79.3153177.4-67.9-35.9000112.5I388 G389 S390 S391 L407 L413I388-N410 PolarHBondContact O-ND2 2.81Å; G389-N410 VanDerWaalsContact CA-OD1 3.28Å; G389-N410 WeakPolarHBondContact CA-OD1 3.24Å; S390-N410 PolarHBondContact N-OD1 3.37Å; S391-N410 PolarHBondContact N-OD1 2.91Å; S391-N410 CarbonylContact O-C 3.54Å; S391-N410 VanDerWaalsContact O-CA 3.23Å; S391-N410 WeakPolarHBondContact O-CA 3.22Å; L407-N410 PolarHBondContact O-ND2 3.24Å; N410-L413 HydrophobicContact CB-CD1 3.62Å; N410-L413 HydrophobicContact CB-CG 3.99Å
411T93.6Very high95.1Very high70 Ų7023 Ų2343%0.42914%0.141SC..BIsolated β-bridgetrans-146.3130.7176.8-52.10000111S391 S392 Y393 L413S391-T411 PolarHBondContact O-N 2.89Å; S392-T411 CarbonylContact C-O 3.49Å; S392-T411 VanDerWaalsContact CA-O 3.24Å; S392-T411 WeakPolarHBondContact CA-O 3.44Å; Y393-T411 PolarHBondContact N-O 3.22Å; T411-L413 VanDerWaalsContact C-N 3.28Å; T411-L413 PolarHBondContact O-N 2.84Å
412A95.3Very high95.1Very high39 Ų3921.1 Ų21.132%0.32213%0.129SC..SBendtrans51.442.4174.100000114.2Y393 S458Y393-A412 WeakPolarHBondContact CA-O 2.97Å; Y393-A412 HydrophobicContact CD1-CB 3.83Å; Y393-A412 HydrophobicContact CE1-CB 3.88Å; A412-S458 PolarHBondContact N-O 3.17Å
413L97.6Very high95.1Very high0 Ų022 Ų220%014%0.135CC..EExtended strand (participates in β ladder)trans-70.3146.1172.5-60.5-179.2000110.6I388 C394 L406 N410 T411 S458 Y459 R460I388-L413 HydrophobicContact CB-CD1 4.33Å; I388-L413 HydrophobicContact CD1-CD1 4.38Å; I388-L413 HydrophobicContact CG2-CD1 3.75Å; I388-L413 HydrophobicContact CG2-CD2 4.15Å; C394-L413 HydrophobicContact CB-CD2 3.9Å; C394-L413 WeakPolarHBondContact O-CA 3.31Å; L406-L413 HydrophobicContact CD2-CD1 3.91Å; N410-L413 HydrophobicContact CB-CD1 3.62Å; N410-L413 HydrophobicContact CB-CG 3.99Å; T411-L413 VanDerWaalsContact C-N 3.28Å; T411-L413 PolarHBondContact O-N 2.84Å; L413-S458 PolarHBondContact N-O 2.92Å; L413-Y459 CarbonylContact O-C 3.22Å; L413-Y459 VanDerWaalsContact O-CA 3.23Å; L413-Y459 WeakPolarHBondContact O-CA 3.24Å; L413-R460 PolarHBondContact O-N 3.34Å
414T98.2Very high95.1Very high10 Ų1019 Ų196%0.06113%0.126CC..EExtended strand (participates in β ladder)trans-120.8123.3171.3-58.10000109.2C394 T395 I396 R460 L462C394-T414 PolarHBondContact O-N 2.9Å; T395-T414 CarbonylContact C-O 3.54Å; T395-T414 VanDerWaalsContact CA-O 3.31Å; T395-T414 WeakPolarHBondContact CA-O 3.21Å; T395-T414 HydrophobicContact CG2-CG2 4.22Å; I396-T414 PolarHBondContact N-O 2.92Å; T414-R460 WeakPolarHBondContact CA-O 3.37Å; T414-R460 HydrophobicContact CG2-CG 4.41Å; T414-R460 PolarHBondContact OG1-NE 2.72Å; T414-L462 HydrophobicContact CG2-CB 3.77Å; T414-L462 HydrophobicContact CG2-CD1 3.84Å; T414-L462 HydrophobicContact CG2-CG 4.4Å
415L98.4Very high95.1Very high3 Ų319 Ų192%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-105.1131.3175.5-58.8-179.2000109.5I388 I396 P444 Y459 R460 L461 L462I388-L415 HydrophobicContact CD1-CD2 4.06Å; I396-L415 HydrophobicContact CB-CD2 4.06Å; I396-L415 HydrophobicContact CD1-CD2 4.39Å; I396-L415 WeakPolarHBondContact O-CA 3.41Å; L415-P444 HydrophobicContact CD1-CB 4.1Å; L415-P444 HydrophobicContact CD1-CG 4.01Å; L415-Y459 HydrophobicContact CD1-CD2 4.12Å; L415-R460 PolarHBondContact N-O 3.03Å; L415-L461 HydrophobicContact CB-CD2 4.11Å; L415-L461 CarbonylContact O-C 3.51Å; L415-L461 WeakPolarHBondContact O-CA 3.31Å; L415-L462 PolarHBondContact O-N 2.9Å
416G97.9Very high95.1Very high1 Ų123.3 Ų23.31%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-136.4167.3178.200000112.3I396 H397 A398 W441I396-G416 PolarHBondContact O-N 3.33Å; H397-G416 VanDerWaalsContact CA-O 3.29Å; H397-G416 WeakPolarHBondContact CA-O 3.37Å; A398-G416 PolarHBondContact N-O 2.79Å; A398-G416 VanDerWaalsContact N-O 3.11Å; G416-W441 VanDerWaalsContact C-CZ3 3.46Å; G416-W441 VanDerWaalsContact CA-CZ3 3.48Å
417P97.9Very high95.2Very high2 Ų228.2 Ų28.21%0.01317%0.172CC..EExtended strand (participates in β ladder)trans-68.6149.7174.329.5-33.9000110.6H397 H419 W441 F467 P488 Y491H397-P417 WeakPolarHBondContact CB-O 3.49Å; H397-P417 PolarHBondContact ND1-O 2.88Å; P417-H419 PolarHBondContact O-ND1 2.76Å; P417-H419 VanDerWaalsContact O-ND1 3.14Å; P417-W441 HydrophobicContact CB-CD2 4.48Å; P417-W441 HydrophobicContact CB-CZ2 3.97Å; P417-W441 HydrophobicContact CG-CZ2 4.3Å; P417-F467 HydrophobicContact CG-CD2 4.47Å; P417-F467 HydrophobicContact CG-CE2 4.07Å; P417-P488 HydrophobicContact CB-CG 3.79Å; P417-P488 HydrophobicContact CG-CG 4.23Å; P417-Y491 HydrophobicContact CG-CD1 3.88Å; P417-Y491 HydrophobicContact CG-CD2 3.91Å; P417-Y491 HydrophobicContact CG-CE1 3.97Å; P417-Y491 HydrophobicContact CG-CE2 4.01Å; P417-Y491 HydrophobicContact CG-CG 3.83Å
418F97.9Very high95.5Very high8 Ų829.1 Ų29.14%0.03518%0.176CC..  trans-58.9140.9162.7-174-100.6000110.3V380 V382 A398 L399 T420 L425 V483V380-F418 HydrophobicContact CG1-CD2 3.79Å; V380-F418 HydrophobicContact CG1-CE2 3.77Å; V382-F418 HydrophobicContact CG2-CD1 4.26Å; V382-F418 HydrophobicContact CG2-CD2 4.02Å; V382-F418 HydrophobicContact CG2-CE1 3.98Å; V382-F418 HydrophobicContact CG2-CE2 3.74Å; V382-F418 HydrophobicContact CG2-CG 4.27Å; V382-F418 HydrophobicContact CG2-CZ 3.72Å; A398-F418 PolarHBondContact O-N 2.96Å; A398-F418 VanDerWaalsContact O-N 3.14Å; L399-F418 HydrophobicContact CB-CB 3.77Å; L399-F418 HydrophobicContact CB-CG 4.2Å; F418-T420 HydrophobicContact CE1-CG2 4.34Å; F418-T420 WeakPolarHBondContact CE1-O 2.89Å; F418-T420 HydrophobicContact CE2-CG2 3.7Å; F418-T420 HydrophobicContact CZ-CG2 3.58Å; F418-T420 VanDerWaalsContact CZ-O 3.25Å; F418-T420 WeakPolarHBondContact CZ-O 3.25Å; F418-L425 HydrophobicContact CE1-CD2 3.82Å; F418-L425 HydrophobicContact CZ-CD2 3.84Å; F418-V483 HydrophobicContact CD1-CG1 4.05Å; F418-V483 HydrophobicContact CE1-CG1 4.43Å
419H96.3Very high96Very high4 Ų426.9 Ų26.92%0.01916%0.161CC..  trans-15415.4-162.563-95.7000114.4H397 P417 F467 L470 L487H397-H419 WeakPolarHBondContact CB-ND1 3.14Å; H397-H419 AromaticContact CD2-CE1 3.46Å; H397-H419 PolarHBondContact CD2-CE1 3.16Å; H397-H419 VanDerWaalsContact CD2-CE1 3.46Å; H397-H419 AromaticContact CE1-CE1 3.51Å; H397-H419 AromaticContact CE1-ND1 3.66Å; H397-H419 AromaticContact CG-CE1 3.17Å; H397-H419 AromaticContact CG-ND1 3.32Å; H397-H419 VanDerWaalsContact CG-ND1 3.32Å; H397-H419 AromaticContact ND1-CE1 3.26Å; H397-H419 PolarHBondContact ND1-CE1 3.16Å; H397-H419 VanDerWaalsContact ND1-CE1 3.26Å; H397-H419 AromaticContact ND1-ND1 3.08Å; H397-H419 PolarHBondContact ND1-ND1 2.88Å; H397-H419 AromaticContact NE2-CE1 3.66Å; P417-H419 PolarHBondContact O-ND1 2.76Å; P417-H419 VanDerWaalsContact O-ND1 3.14Å; H419-F467 HydrophobicContact CB-CE2 3.52Å; H419-F467 HydrophobicContact CB-CZ 3.44Å; H419-F467 VanDerWaalsContact CB-CZ 3.44Å; H419-F467 AromaticContact CG-CE2 3.84Å; H419-L470 PolarHBondContact CD2-N 2.91Å; H419-L470 VanDerWaalsContact NE2-CB 3.31Å; H419-L470 WeakPolarHBondContact NE2-CB 3.5Å; H419-L470 PolarHBondContact NE2-N 2.88Å; H419-L487 HydrophobicContact CB-CD2 3.87Å
420T95.8Very high96.4Very high3 Ų326.5 Ų26.52%0.01815%0.152CC..  trans-126.4162.8-178.6-169.90000109.5V380 F418 L470 V472V380-T420 HydrophobicContact CG1-CG2 3.54Å; F418-T420 HydrophobicContact CE1-CG2 4.34Å; F418-T420 WeakPolarHBondContact CE1-O 2.89Å; F418-T420 HydrophobicContact CE2-CG2 3.7Å; F418-T420 HydrophobicContact CZ-CG2 3.58Å; F418-T420 VanDerWaalsContact CZ-O 3.25Å; F418-T420 WeakPolarHBondContact CZ-O 3.25Å; T420-L470 PolarHBondContact OG1-O 2.83Å; T420-V472 WeakPolarHBondContact OG1-CG2 3.45Å
421H95.7Very high96.7Very high68 Ų6829.3 Ų29.332%0.31517%0.173SC..  trans-137.8164.2166.869.3-84.4000110.3L425 V472 T480 C481 E482H421-L425 HydrophobicContact CB-CD2 4.21Å; H421-V472 WeakPolarHBondContact O-CG2 3.45Å; H421-T480 HydrophobicContact CB-CG2 4.05Å; H421-T480 PolarHBondContact CD2-O 3.15Å; H421-C481 PolarHBondContact CE1-O 3.39Å; H421-C481 VanDerWaalsContact CE1-O 3.26Å; H421-C481 PolarHBondContact NE2-O 2.8Å; H421-E482 WeakPolarHBondContact CB-O 3.37Å
422Y95.4Very high96.8Very high4 Ų426.3 Ų26.32%0.01616%0.155CC..  trans-141.7154.7162.161.7-97.3000107.8L344 P364 S424 L425 H428 M476L344-Y422 HydrophobicContact CB-CD1 4.36Å; L344-Y422 HydrophobicContact CB-CE1 4.28Å; L344-Y422 HydrophobicContact CB-CE2 4.48Å; L344-Y422 HydrophobicContact CB-CG 4.48Å; L344-Y422 HydrophobicContact CD2-CD1 3.9Å; L344-Y422 HydrophobicContact CD2-CE1 4.1Å; L344-Y422 HydrophobicContact CG-CD1 4.5Å; P364-Y422 WeakPolarHBondContact CD-OH 3.28Å; Y422-S424 VanDerWaalsContact C-N 3.28Å; Y422-S424 PolarHBondContact O-N 3.47Å; Y422-L425 HydrophobicContact CD1-CB 4.1Å; Y422-L425 HydrophobicContact CD1-CD1 4.38Å; Y422-L425 HydrophobicContact CD2-CB 4.1Å; Y422-L425 HydrophobicContact CE1-CB 3.97Å; Y422-L425 HydrophobicContact CE1-CD1 3.63Å; Y422-L425 HydrophobicContact CE1-CG 4.28Å; Y422-L425 HydrophobicContact CE2-CB 3.92Å; Y422-L425 HydrophobicContact CG-CB 4.16Å; Y422-L425 WeakPolarHBondContact O-CB 3.49Å; Y422-L425 PolarHBondContact O-N 2.86Å; Y422-H428 AromaticContact CE2-CE1 3.91Å; Y422-H428 AromaticContact CE2-ND1 3.45Å; Y422-H428 WeakPolarHBondContact CE2-ND1 3.33Å; Y422-H428 AromaticContact CZ-ND1 3.58Å; Y422-H428 WeakPolarHBondContact OH-CB 3.31Å; Y422-H428 PolarHBondContact OH-ND1 3.28Å; Y422-M476 HydrophobicContact CD2-CE 3.86Å; Y422-M476 HydrophobicContact CD2-SD 4.15Å; Y422-M476 HydrophobicContact CE2-CE 4.41Å; Y422-M476 HydrophobicContact CG-SD 4.33Å
423P95.1Very high96.9Very high30 Ų3024.7 Ų24.720%0.19514%0.141CC..THydrogen-bonded Turntrans-48.4-37.9-168.4-3639000116.8M476 G478 D479 T480P423-M476 HydrophobicContact CB-CB 4.16Å; P423-M476 HydrophobicContact CG-CB 3.9Å; P423-G478 CarbonylContact O-C 3.53Å; P423-G478 VanDerWaalsContact O-C 3.29Å; P423-G478 WeakPolarHBondContact O-CA 3.13Å; P423-D479 PolarHBondContact O-N 2.77Å; P423-D479 VanDerWaalsContact O-N 3.11Å; P423-T480 WeakPolarHBondContact CA-O 3.37Å; P423-T480 WeakPolarHBondContact O-CB 3.37Å; P423-T480 PolarHBondContact O-N 2.84Å; P423-T480 PolarHBondContact O-OG1 3.12Å
424S95.4Very high96.8Very high16 Ų1625.2 Ų25.211%0.11214%0.144CC..THydrogen-bonded Turntrans-95.813.6-179-18.30000114.2Y422 H428 E477Y422-S424 VanDerWaalsContact C-N 3.28Å; Y422-S424 PolarHBondContact O-N 3.47Å; S424-H428 WeakPolarHBondContact O-CB 3.47Å; S424-H428 PolarHBondContact O-CD2 3.32Å; S424-H428 VanDerWaalsContact O-CD2 3.32Å; S424-H428 PolarHBondContact O-N 3.35Å; S424-E477 PolarHBondContact OG-O 2.71Å
425L96.6Very high96.8Very high1 Ų126.1 Ų26.11%0.00515%0.152CC..Hα-helixtrans-65.5-46.5-169.3173.560.7000112.9P364 F418 H421 Y422 H428 M429 T480 P484P364-L425 HydrophobicContact CG-CD1 3.73Å; F418-L425 HydrophobicContact CE1-CD2 3.82Å; F418-L425 HydrophobicContact CZ-CD2 3.84Å; H421-L425 HydrophobicContact CB-CD2 4.21Å; Y422-L425 HydrophobicContact CD1-CB 4.1Å; Y422-L425 HydrophobicContact CD1-CD1 4.38Å; Y422-L425 HydrophobicContact CD2-CB 4.1Å; Y422-L425 HydrophobicContact CE1-CB 3.97Å; Y422-L425 HydrophobicContact CE1-CD1 3.63Å; Y422-L425 HydrophobicContact CE1-CG 4.28Å; Y422-L425 HydrophobicContact CE2-CB 3.92Å; Y422-L425 HydrophobicContact CG-CB 4.16Å; Y422-L425 WeakPolarHBondContact O-CB 3.49Å; Y422-L425 PolarHBondContact O-N 2.86Å; L425-H428 PolarHBondContact O-N 3.38Å; L425-M429 HydrophobicContact CD1-CG 4.03Å; L425-M429 HydrophobicContact CD1-SD 4.15Å; L425-M429 HydrophobicContact CG-CG 4.44Å; L425-M429 HydrophobicContact CG-SD 4.12Å; L425-M429 WeakPolarHBondContact O-CG 3.37Å; L425-M429 PolarHBondContact O-N 2.89Å; L425-T480 HydrophobicContact CB-CG2 4.31Å; L425-P484 HydrophobicContact CD2-CG 3.61Å; L425-P484 HydrophobicContact CG-CG 4Å
426E97.2Very high96.7Very high96 Ų9628.3 Ų28.345%0.44917%0.166SC..Hα-helixtrans-65.4-40.8-178.6-71172.8114.600111.8H428 M429 A430 T480 P484E426-H428 VanDerWaalsContact C-N 3.34Å; E426-H428 PolarHBondContact O-N 3.47Å; E426-M429 WeakPolarHBondContact O-CB 3.26Å; E426-M429 PolarHBondContact O-N 3.31Å; E426-A430 WeakPolarHBondContact O-CB 3.37Å; E426-A430 PolarHBondContact O-N 3.46Å; E426-T480 WeakPolarHBondContact CB-OG1 3.18Å; E426-T480 HydrophobicContact CG-CG2 3.97Å; E426-T480 VanDerWaalsContact CG-OG1 3.3Å; E426-T480 WeakPolarHBondContact CG-OG1 3.18Å; E426-T480 PolarHBondContact N-OG1 2.83Å; E426-T480 WeakPolarHBondContact OE2-CB 3.43Å; E426-T480 PolarHBondContact OE2-OG1 2.92Å; E426-P484 HydrophobicContact CG-CB 4.2Å; E426-P484 HydrophobicContact CG-CG 3.81Å
427D96.6Very high96.5Very high107 Ų10731.6 Ų31.657%0.57219%0.186SC*.Hα-helixtrans-61.3-43.7173.2-69.4-29.6000111.5M429 A430 S431D427-M429 VanDerWaalsContact C-N 3.31Å; D427-M429 PolarHBondContact O-N 3.04Å; D427-A430 PolarHBondContact O-N 3.27Å; D427-S431 WeakPolarHBondContact O-CB 3.4Å; D427-S431 PolarHBondContact O-N 3.26Å
428H97.3Very high96.4Very high31 Ų3133 Ų3314%0.14419%0.194CC..Hα-helixtrans-62.7-39.9175.6-70.5-177.2000111.2L344 P346 P364 Y422 S424 L425 E426 S431 V432L344-H428 PolarHBondContact O-CE1 3.17Å; L344-H428 VanDerWaalsContact O-CE1 3.31Å; P346-H428 HydrophobicContact CB-CB 4.48Å; P364-H428 HydrophobicContact CG-CB 3.82Å; Y422-H428 AromaticContact CE2-CE1 3.91Å; Y422-H428 AromaticContact CE2-ND1 3.45Å; Y422-H428 WeakPolarHBondContact CE2-ND1 3.33Å; Y422-H428 AromaticContact CZ-ND1 3.58Å; Y422-H428 WeakPolarHBondContact OH-CB 3.31Å; Y422-H428 PolarHBondContact OH-ND1 3.28Å; S424-H428 WeakPolarHBondContact O-CB 3.47Å; S424-H428 PolarHBondContact O-CD2 3.32Å; S424-H428 VanDerWaalsContact O-CD2 3.32Å; S424-H428 PolarHBondContact O-N 3.35Å; L425-H428 PolarHBondContact O-N 3.38Å; E426-H428 VanDerWaalsContact C-N 3.34Å; E426-H428 PolarHBondContact O-N 3.47Å; H428-S431 PolarHBondContact O-N 3.23Å; H428-S431 PolarHBondContact O-OG 2.97Å; H428-V432 WeakPolarHBondContact O-CG2 3.36Å; H428-V432 PolarHBondContact O-N 3.13Å
429M98Very high96.3Very high6 Ų635.2 Ų35.23%0.0321%0.207CC..Hα-helixtrans-63.9-47.3177.6-76.6179.761.800111.3P364 V382 L399 L425 E426 D427 S431 V432 G433 L434 V436 P484P364-M429 HydrophobicContact CB-CG 4.13Å; P364-M429 HydrophobicContact CG-CB 4.21Å; P364-M429 HydrophobicContact CG-CG 3.42Å; P364-M429 VanDerWaalsContact CG-CG 3.42Å; V382-M429 HydrophobicContact CG1-CE 4.12Å; V382-M429 HydrophobicContact CG1-CG 4.31Å; V382-M429 HydrophobicContact CG1-SD 4.38Å; V382-M429 HydrophobicContact CG2-SD 4.27Å; L399-M429 HydrophobicContact CD1-CE 4.2Å; L425-M429 HydrophobicContact CD1-CG 4.03Å; L425-M429 HydrophobicContact CD1-SD 4.15Å; L425-M429 HydrophobicContact CG-CG 4.44Å; L425-M429 HydrophobicContact CG-SD 4.12Å; L425-M429 WeakPolarHBondContact O-CG 3.37Å; L425-M429 PolarHBondContact O-N 2.89Å; E426-M429 WeakPolarHBondContact O-CB 3.26Å; E426-M429 PolarHBondContact O-N 3.31Å; D427-M429 VanDerWaalsContact C-N 3.31Å; D427-M429 PolarHBondContact O-N 3.04Å; M429-S431 VanDerWaalsContact C-N 3.34Å; M429-S431 PolarHBondContact O-N 3.18Å; M429-V432 CarbonylContact O-C 3.45Å; M429-V432 WeakPolarHBondContact O-CG2 3.41Å; M429-V432 PolarHBondContact O-N 3.3Å; M429-G433 PolarHBondContact O-N 3.46Å; M429-G433 VanDerWaalsContact O-N 3.12Å; M429-L434 PolarHBondContact O-N 3.49Å; M429-V436 HydrophobicContact CE-CG1 4Å; M429-P484 HydrophobicContact SD-CB 4.02Å; M429-P484 HydrophobicContact SD-CG 4.1Å
430A97.4Very high96.3Very high46 Ų4635.6 Ų35.638%0.3821%0.211SC..Hα-helixtrans-60-43.717600000111.4A86 E426 D427 V432 G433A86-A430 WeakPolarHBondContact CB-O 3.46Å; E426-A430 WeakPolarHBondContact O-CB 3.37Å; E426-A430 PolarHBondContact O-N 3.46Å; D427-A430 PolarHBondContact O-N 3.27Å; A430-V432 PolarHBondContact O-N 3.48Å; A430-G433 PolarHBondContact O-N 2.95Å
431S96.4Very high96.3Very high70 Ų7036.2 Ų36.249%0.4921%0.213SC..Hα-helixtrans-62.2-26.7-179.378.50000114.2D427 H428 M429D427-S431 WeakPolarHBondContact O-CB 3.4Å; D427-S431 PolarHBondContact O-N 3.26Å; H428-S431 PolarHBondContact O-N 3.23Å; H428-S431 PolarHBondContact O-OG 2.97Å; M429-S431 VanDerWaalsContact C-N 3.34Å; M429-S431 PolarHBondContact O-N 3.18Å
432V96.1Very high96.4Very high8 Ų836 Ų365%0.04821%0.214CC..THydrogen-bonded Turntrans-1048.5177.1-56.30000112.6R89 P346 P364 E366 H428 M429 A430 L434R89-V432 VanDerWaalsContact CZ-O 3.25Å; R89-V432 PolarHBondContact NH1-O 2.92Å; P346-V432 HydrophobicContact CB-CG1 3.51Å; P364-V432 HydrophobicContact CB-CG2 3.51Å; E366-V432 HydrophobicContact CB-CB 4.08Å; E366-V432 HydrophobicContact CB-CG1 4.34Å; E366-V432 HydrophobicContact CG-CB 4.2Å; H428-V432 WeakPolarHBondContact O-CG2 3.36Å; H428-V432 PolarHBondContact O-N 3.13Å; M429-V432 CarbonylContact O-C 3.45Å; M429-V432 WeakPolarHBondContact O-CG2 3.41Å; M429-V432 PolarHBondContact O-N 3.3Å; A430-V432 PolarHBondContact O-N 3.48Å; V432-L434 HydrophobicContact CG2-CB 4.2Å; V432-L434 HydrophobicContact CG2-CD1 3.75Å; V432-L434 HydrophobicContact CG2-CG 3.86Å; V432-L434 PolarHBondContact O-N 3.13Å
433G97.1Very high96.4Very high4 Ų441 Ų414%0.04124%0.238CC..THydrogen-bonded Turntrans66.434.6176.300000114.8A86 R89 M429 A430A86-G433 WeakPolarHBondContact O-CA 3.35Å; R89-G433 WeakPolarHBondContact CB-O 3.47Å; M429-G433 PolarHBondContact O-N 3.46Å; M429-G433 VanDerWaalsContact O-N 3.12Å; A430-G433 PolarHBondContact O-N 2.95Å
434L97.3Very high96.4Very high12 Ų1240 Ų406%0.06323%0.231CC..  trans-109.5124.6176.2-67.1175.1000110.5P364 I365 V382 P401 M429 V432P364-L434 HydrophobicContact CB-CD1 4.4Å; I365-L434 WeakPolarHBondContact O-CD1 3.3Å; V382-L434 HydrophobicContact CG1-CB 4.33Å; V382-L434 HydrophobicContact CG1-CD1 3.95Å; P401-L434 HydrophobicContact CG-CD2 4.3Å; M429-L434 PolarHBondContact O-N 3.49Å; V432-L434 HydrophobicContact CG2-CB 4.2Å; V432-L434 HydrophobicContact CG2-CD1 3.75Å; V432-L434 HydrophobicContact CG2-CG 3.86Å; V432-L434 PolarHBondContact O-N 3.13Å
435A96.7Very high96.3Very high28 Ų2840.3 Ų40.323%0.23123%0.231CC..  trans-99.5168.1175.200000111.3L90 A93 L399 V437L90-A435 HydrophobicContact CD2-CB 3.96Å; A93-A435 HydrophobicContact CB-CB 3.92Å; L399-A435 WeakPolarHBondContact CD2-O 3.31Å; A435-V437 WeakPolarHBondContact CB-O 3.46Å; A435-V437 PolarHBondContact O-N 2.85Å
436V96.7Very high96.1Very high49 Ų4942.7 Ų42.730%0.29724%0.243SC..SBendtrans-73.2-19.1175.3-61.70000113.1L399 M429 P484L399-V436 HydrophobicContact CD1-CB 4.5Å; L399-V436 HydrophobicContact CD1-CG1 4.43Å; M429-V436 HydrophobicContact CE-CG1 4Å; V436-P484 HydrophobicContact CG1-CB 3.75Å
437V94.9Very high95.6Very high71 Ų7138.9 Ų38.943%0.4323%0.227SC..  trans-136.9145.7175.9-69.90000110.1A435A435-V437 WeakPolarHBondContact CB-O 3.46Å; A435-V437 PolarHBondContact O-N 2.85Å
438P94.4Very high94.5Very high30 Ų3035.1 Ų35.120%0.19521%0.214CC..SBendcis-67.5156.5-4.330.7-35.7000112.1A93 L96 P401A93-P438 WeakPolarHBondContact O-CD 3.37Å; L96-P438 HydrophobicContact CB-CG 4.11Å; L96-P438 HydrophobicContact CD1-CG 4.27Å; P401-P438 VanDerWaalsContact CA-O 3.28Å; P401-P438 WeakPolarHBondContact CA-O 3.47Å; P401-P438 HydrophobicContact CB-CG 3.9Å
439N95.6Very high93.2Very high55 Ų5536.8 Ų36.829%0.29423%0.226SC..  trans-136109.7178.9-170.58.9000110T400 W441T400-N439 PolarHBondContact N-OD1 2.88Å; T400-N439 VanDerWaalsContact N-OD1 3.15Å; T400-N439 CarbonylContact O-C 3.51Å; T400-N439 WeakPolarHBondContact O-CA 3.31Å; T400-N439 PolarHBondContact O-OD1 3.22Å; N439-W441 VanDerWaalsContact OD1-CD1 3.31Å
440A96.2Very high91.6Very high12 Ų1241.8 Ų41.810%0.09925%0.249CC..  trans-114.221.5-170.100000113.2T400 R403 P404 D442 Q443T400-A440 PolarHBondContact O-N 3.49Å; R403-A440 HydrophobicContact CG-CB 4.46Å; P404-A440 WeakPolarHBondContact CD-O 3.35Å; A440-D442 PolarHBondContact O-N 2.68Å; A440-D442 VanDerWaalsContact O-N 3.09Å; A440-Q443 PolarHBondContact O-N 2.87Å
441W96.9Very high89.7Confident16 Ų1643.7 Ų43.76%0.06127%0.273CS..THydrogen-bonded Turntrans-55.3-27.6-176.671.1-87.8000114.2A398 T400 G416 P417 N439 L461 P488 Y491A398-W441 HydrophobicContact CB-CB 4.28Å; A398-W441 WeakPolarHBondContact O-CB 3.44Å; T400-W441 HydrophobicContact CG2-CB 4.39Å; G416-W441 VanDerWaalsContact C-CZ3 3.46Å; G416-W441 VanDerWaalsContact CA-CZ3 3.48Å; P417-W441 HydrophobicContact CB-CD2 4.48Å; P417-W441 HydrophobicContact CB-CZ2 3.97Å; P417-W441 HydrophobicContact CG-CZ2 4.3Å; N439-W441 VanDerWaalsContact OD1-CD1 3.31Å; W441-L461 HydrophobicContact CZ3-CD2 4.13Å; W441-P488 HydrophobicContact CZ2-CG 4.26Å; W441-Y491 AromaticContact CH2-CE2 3.95Å; W441-Y491 HydrophobicContact CH2-CE2 3.95Å; W441-Y491 AromaticContact CH2-CZ 3.95Å; W441-Y491 WeakPolarHBondContact CH2-OH 3.44Å; W441-Y491 HydrophobicContact CZ2-CE2 4.08Å
442D96.7Very high88.3Confident63 Ų6344.1 Ų44.134%0.33727%0.273SS..THydrogen-bonded Turntrans-94.30.8-17864.1-20.2000113.9A440 P444 L461A440-D442 PolarHBondContact O-N 2.68Å; A440-D442 VanDerWaalsContact O-N 3.09Å; D442-P444 WeakPolarHBondContact O-CD 3.23Å; D442-L461 HydrophobicContact CB-CD1 4.21Å; D442-L461 HydrophobicContact CB-CD2 4.22Å
443Q95.5Very high86.8Confident111 Ų11151.5 Ų51.552%0.51931%0.31SS..  trans-114.860.2-177.5-64.7176.530.900112.3R403 A440R403-Q443 WeakPolarHBondContact CB-O 3.24Å; R403-Q443 HydrophobicContact CG-CB 4.25Å; R403-Q443 WeakPolarHBondContact CG-O 3.45Å; R403-Q443 PolarHBondContact NE-O 3.41Å; A440-Q443 PolarHBondContact O-N 2.87Å
444P95.8Very high85.5Confident7 Ų753.7 Ų53.75%0.04532%0.324CS..  trans-61.7150.3-177.226.6-33.7000112.4R403 P404 L406 L415 D442 Y459R403-P444 PolarHBondContact NH2-O 2.84Å; P404-P444 HydrophobicContact CB-CB 4.38Å; P404-P444 CarbonylContact O-C 3.56Å; P404-P444 WeakPolarHBondContact O-CA 3.27Å; L406-P444 HydrophobicContact CD1-CB 3.7Å; L406-P444 HydrophobicContact CD1-CG 4.16Å; L406-P444 HydrophobicContact CG-CB 3.83Å; L415-P444 HydrophobicContact CD1-CB 4.1Å; L415-P444 HydrophobicContact CD1-CG 4.01Å; D442-P444 WeakPolarHBondContact O-CD 3.23Å; P444-Y459 HydrophobicContact CG-CD2 4.08Å; P444-Y459 HydrophobicContact CG-CE1 4.07Å; P444-Y459 HydrophobicContact CG-CE2 3.4Å; P444-Y459 WeakPolarHBondContact CG-OH 3.46Å
445L93.9Very high84.5Confident23 Ų2358.1 Ų58.112%0.1235%0.347CS..EExtended strand (participates in β ladder)trans-108.4115.9170.917862.9000108.5D69 L73 R403 P404 L405 L406 V447D69-L445 HydrophobicContact CB-CD1 3.87Å; D69-L445 HydrophobicContact CB-CD2 4.27Å; L73-L445 HydrophobicContact CD2-CD2 4.35Å; R403-L445 HydrophobicContact CB-CB 4.25Å; P404-L445 PolarHBondContact O-N 2.94Å; L405-L445 HydrophobicContact CD2-CB 4.17Å; L405-L445 HydrophobicContact CD2-CD2 4.11Å; L406-L445 PolarHBondContact N-O 3.38Å; L445-V447 HydrophobicContact CD2-CG2 4.5Å; L445-V447 HydrophobicContact CG-CG2 4.28Å; L445-V447 PolarHBondContact O-N 2.96Å
446L91.8Very high83.4Confident51 Ų5161.2 Ų61.227%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-81117.4176.9-63.684.1000109.3L406 P454 Y459L406-L446 HydrophobicContact CB-CG 4.43Å; L406-L446 HydrophobicContact CD1-CG 4.46Å; L446-P454 HydrophobicContact CB-CB 3.56Å; L446-P454 HydrophobicContact CB-CG 4.02Å; L446-P454 HydrophobicContact CD2-CB 3.59Å; L446-P454 HydrophobicContact CG-CB 4.22Å; L446-Y459 HydrophobicContact CD1-CE1 4.15Å; L446-Y459 HydrophobicContact CD2-CE1 4.49Å
447V87Confident82.7Confident16 Ų1661.6 Ų61.610%0.09738%0.379CS..  trans-105.5103.3-178.6-173.10000108.6V23 L73 L405 L406 L407 P408 L445V23-V447 HydrophobicContact CG1-CG1 3.91Å; L73-V447 HydrophobicContact CD2-CG2 4.2Å; L405-V447 HydrophobicContact CB-CG2 4.5Å; L405-V447 HydrophobicContact CD2-CG2 4.38Å; L406-V447 PolarHBondContact O-N 2.88Å; L407-V447 HydrophobicContact CD2-CB 4.01Å; L407-V447 HydrophobicContact CD2-CG1 4.43Å; L407-V447 HydrophobicContact CD2-CG2 4.44Å; P408-V447 VanDerWaalsContact CD-O 3.31Å; P408-V447 WeakPolarHBondContact CD-O 3.25Å; L445-V447 HydrophobicContact CD2-CG2 4.5Å; L445-V447 HydrophobicContact CG-CG2 4.28Å; L445-V447 PolarHBondContact O-N 2.96Å
448G73.4Confident82.3Confident29 Ų2958.8 Ų58.830%0.29936%0.363SS..PPolyproline II helixtrans-90.7167.5-17900000114.1
449V68.4Low82.4Confident65 Ų6560.5 Ų60.539%0.39437%0.366SS..PPolyproline II helixtrans-79.1140.9161.4-178.60000108V23 P408 G451 T452V23-V449 HydrophobicContact CG2-CG2 4.23Å; P408-V449 HydrophobicContact CG-CG2 4.16Å; V449-G451 PolarHBondContact O-N 3.47Å; V449-T452 HydrophobicContact CB-CG2 4.48Å; V449-T452 PolarHBondContact N-OG1 2.97Å; V449-T452 PolarHBondContact O-N 3.22Å; V449-T452 PolarHBondContact O-OG1 3.36Å
450E64.5Low82.4Confident112 Ų11263 Ų6352%0.52337%0.371SS..THydrogen-bonded Turntrans-50.5123.4179.8-164.9168.9-170.800111T27T27-E450 WeakPolarHBondContact CB-OE2 3.18Å; T27-E450 VanDerWaalsContact CG2-OE2 3.23Å; T27-E450 WeakPolarHBondContact CG2-OE2 3.47Å; T27-E450 PolarHBondContact N-OE2 2.91Å; T27-E450 PolarHBondContact OG1-OE1 2.94Å; T27-E450 PolarHBondContact OG1-OE2 2.93Å
451G59.2Low82.5Confident85 Ų8565.8 Ų65.888%0.87638%0.384SS*.THydrogen-bonded Turntrans90.8-3.1-177.100000115.9V449V449-G451 PolarHBondContact O-N 3.47Å
452T66Low82.5Confident80 Ų8065.7 Ų65.749%0.49138%0.384SS..PPolyproline II helixtrans-104134.7172.860.50000111V449 P454V449-T452 HydrophobicContact CB-CG2 4.48Å; V449-T452 PolarHBondContact N-OG1 2.97Å; V449-T452 PolarHBondContact O-N 3.22Å; V449-T452 PolarHBondContact O-OG1 3.36Å; T452-P454 WeakPolarHBondContact O-CD 3.28Å
453I65.6Low82.5Confident162 Ų16264.7 Ų64.783%0.83138%0.382SS*.PPolyproline II helixtrans-80.6121.4171.7-57.5173.9000106.7D455I453-D455 PolarHBondContact O-N 3.5Å
454P69.9Low82.5Confident51 Ų5161.4 Ų61.433%0.33137%0.37SS..PPolyproline II helixtrans-61.2133.8175-18.530.5000110.3L446 T452 P456L446-P454 HydrophobicContact CB-CB 3.56Å; L446-P454 HydrophobicContact CB-CG 4.02Å; L446-P454 HydrophobicContact CD2-CB 3.59Å; L446-P454 HydrophobicContact CG-CB 4.22Å; T452-P454 WeakPolarHBondContact O-CD 3.28Å; P454-P456 WeakPolarHBondContact O-CD 3.35Å
455D74.8Confident82.3Confident104 Ų10465 Ų6556%0.55640%0.4SS*.  trans-72.9109.9179178.912.5000110.6I453 G457 S458I453-D455 PolarHBondContact O-N 3.5Å; D455-G457 PolarHBondContact O-N 2.95Å; D455-G457 WeakPolarHBondContact OD1-CA 3.47Å; D455-G457 PolarHBondContact OD1-N 3.2Å; D455-S458 VanDerWaalsContact O-CB 3.31Å; D455-S458 WeakPolarHBondContact O-CB 3.43Å; D455-S458 PolarHBondContact O-N 3.42Å; D455-S458 PolarHBondContact O-OG 3.5Å
456P74.1Confident82.2Confident94 Ų9468.6 Ų68.661%0.6142%0.416SS*.G310 helixtrans-67.3-21.2178.6-15.632.4000112.3P454 S458P454-P456 WeakPolarHBondContact O-CD 3.35Å; P456-S458 PolarHBondContact O-N 2.93Å
457G81.9Confident82.3Confident57 Ų5766.3 Ų66.359%0.58840%0.404SS*.G310 helixtrans-76.3-2.2176.400000114.3D455 Y459D455-G457 PolarHBondContact O-N 2.95Å; D455-G457 WeakPolarHBondContact OD1-CA 3.47Å; D455-G457 PolarHBondContact OD1-N 3.2Å; G457-Y459 PolarHBondContact O-N 3.21Å
458S87.1Confident82.4Confident12 Ų1269.2 Ų69.28%0.08443%0.425CS..G310 helixtrans-69.7-15.8-179.961.10000113.9A412 L413 D455 P456A412-S458 PolarHBondContact N-O 3.17Å; L413-S458 PolarHBondContact N-O 2.92Å; D455-S458 VanDerWaalsContact O-CB 3.31Å; D455-S458 WeakPolarHBondContact O-CB 3.43Å; D455-S458 PolarHBondContact O-N 3.42Å; D455-S458 PolarHBondContact O-OG 3.5Å; P456-S458 PolarHBondContact O-N 2.93Å
459Y95.2Very high83.1Confident66 Ų6670.3 Ų70.326%0.25943%0.426SS..EExtended strand (participates in β ladder)trans-144.7161.8178.779.9-78.5000113.3L406 L413 L415 P444 L446 G457L406-Y459 HydrophobicContact CD1-CD1 3.35Å; L406-Y459 HydrophobicContact CD1-CD2 4.36Å; L406-Y459 HydrophobicContact CD1-CE1 3.87Å; L406-Y459 HydrophobicContact CD1-CG 3.63Å; L413-Y459 CarbonylContact O-C 3.22Å; L413-Y459 VanDerWaalsContact O-CA 3.23Å; L413-Y459 WeakPolarHBondContact O-CA 3.24Å; L415-Y459 HydrophobicContact CD1-CD2 4.12Å; P444-Y459 HydrophobicContact CG-CD2 4.08Å; P444-Y459 HydrophobicContact CG-CE1 4.07Å; P444-Y459 HydrophobicContact CG-CE2 3.4Å; P444-Y459 WeakPolarHBondContact CG-OH 3.46Å; L446-Y459 HydrophobicContact CD1-CE1 4.15Å; L446-Y459 HydrophobicContact CD2-CE1 4.49Å; G457-Y459 PolarHBondContact O-N 3.21Å
460R96.4Very high84.3Confident106 Ų10668.5 Ų68.540%0.441%0.414SS..EExtended strand (participates in β ladder)trans-136.8158.516666.3175.7-173.6134.35.3110.3L413 T414 L415 E466L413-R460 PolarHBondContact O-N 3.34Å; T414-R460 WeakPolarHBondContact CA-O 3.37Å; T414-R460 HydrophobicContact CG2-CG 4.41Å; T414-R460 PolarHBondContact OG1-NE 2.72Å; L415-R460 PolarHBondContact N-O 3.03Å; R460-E466 IonicContact CZ-OE1 3.54Å; R460-E466 IonicContact CZ-OE2 3.45Å; R460-E466 IonicContact NH1-OE1 2.9Å; R460-E466 PolarHBondContact NH1-OE1 3.38Å; R460-E466 IonicContact NH1-OE2 3.13Å; R460-E466 PolarHBondContact NH1-OE2 2.84Å; R460-E466 IonicContact NH2-OE1 2.78Å; R460-E466 IonicContact NH2-OE2 3.81Å; R460-E466 PolarHBondContact NH2-OE2 3.35Å
461L97.6Very high85.5Confident72 Ų7268.9 Ų68.938%0.37742%0.424SS..EExtended strand (participates in β ladder)trans-79.1145.2163.7-56.2-176.8000109.2L415 W441 D442 P463L415-L461 HydrophobicContact CB-CD2 4.11Å; L415-L461 CarbonylContact O-C 3.51Å; L415-L461 WeakPolarHBondContact O-CA 3.31Å; W441-L461 HydrophobicContact CZ3-CD2 4.13Å; D442-L461 HydrophobicContact CB-CD1 4.21Å; D442-L461 HydrophobicContact CB-CD2 4.22Å; L461-P463 VanDerWaalsContact O-CD 3.28Å; L461-P463 WeakPolarHBondContact O-CD 3.43Å
462L97.4Very high86.9Confident13 Ų1365.7 Ų65.77%0.06839%0.387CS..PPolyproline II helixtrans-63.2120.7177.6179.864.1000109.7H397 T414 L415 E466 F467 Y491H397-L462 VanDerWaalsContact CE1-CD2 3.45Å; H397-L462 WeakPolarHBondContact CE1-CD2 3.4Å; T414-L462 HydrophobicContact CG2-CB 3.77Å; T414-L462 HydrophobicContact CG2-CD1 3.84Å; T414-L462 HydrophobicContact CG2-CG 4.4Å; L415-L462 PolarHBondContact O-N 2.9Å; L462-E466 HydrophobicContact CD1-CB 3.93Å; L462-F467 HydrophobicContact CD2-CB 4.22Å; L462-F467 HydrophobicContact CD2-CD2 3.88Å; L462-Y491 HydrophobicContact CB-CE1 4.38Å; L462-Y491 HydrophobicContact CG-CE1 4.45Å; L462-Y491 VanDerWaalsContact O-CE1 3.31Å; L462-Y491 WeakPolarHBondContact O-CE1 3.33Å; L462-Y491 PolarHBondContact O-OH 3.18Å
463P96.9Very high87.9Confident43 Ų4364.7 Ų64.728%0.27938%0.382SS..PPolyproline II helixtrans-62.5136.6175.4-2739.2000110.9L461 A465 E466 F467L461-P463 VanDerWaalsContact O-CD 3.28Å; L461-P463 WeakPolarHBondContact O-CD 3.43Å; P463-A465 PolarHBondContact O-N 3.19Å; P463-A465 VanDerWaalsContact O-N 3.11Å; P463-E466 HydrophobicContact CB-CG 4.26Å; P463-E466 HydrophobicContact CG-CG 4.46Å; P463-E466 WeakPolarHBondContact CG-OE1 3.37Å; P463-E466 PolarHBondContact O-N 3.1Å; P463-F467 PolarHBondContact O-N 3.27Å
464P96.1Very high88.8Confident41 Ų4159.7 Ų59.727%0.26635%0.354SS..G310 helixtrans-55.3-31.7178.7-29.135.9000113.8E466 F467 L490 Y491 A494P464-E466 VanDerWaalsContact C-N 3.26Å; P464-E466 PolarHBondContact O-N 3.34Å; P464-F467 WeakPolarHBondContact O-CB 3.46Å; P464-F467 PolarHBondContact O-N 2.66Å; P464-L490 HydrophobicContact CG-CB 4.15Å; P464-Y491 HydrophobicContact CB-CD1 4.29Å; P464-Y491 HydrophobicContact CG-CD1 4.38Å; P464-Y491 HydrophobicContact CG-CE1 4.3Å; P464-A494 HydrophobicContact CB-CB 3.7Å; P464-A494 WeakPolarHBondContact O-CB 3.37Å
465A91.1Very high89.5Confident83 Ų8369 Ų6969%0.68638%0.383SS*.G310 helixtrans-65.7-26.4176.500000113.7P463 R498P463-A465 PolarHBondContact O-N 3.19Å; P463-A465 VanDerWaalsContact O-N 3.11Å; A465-R498 PolarHBondContact O-NH2 3.45Å
466E92.3Very high90.2Very high99 Ų9966 Ų6646%0.46337%0.366SS..G310 helixtrans-90.7-7.7178-64.9176.4-146.100112.5R460 L462 P463 P464R460-E466 IonicContact CZ-OE1 3.54Å; R460-E466 IonicContact CZ-OE2 3.45Å; R460-E466 IonicContact NH1-OE1 2.9Å; R460-E466 PolarHBondContact NH1-OE1 3.38Å; R460-E466 IonicContact NH1-OE2 3.13Å; R460-E466 PolarHBondContact NH1-OE2 2.84Å; R460-E466 IonicContact NH2-OE1 2.78Å; R460-E466 IonicContact NH2-OE2 3.81Å; R460-E466 PolarHBondContact NH2-OE2 3.35Å; L462-E466 HydrophobicContact CD1-CB 3.93Å; P463-E466 HydrophobicContact CB-CG 4.26Å; P463-E466 HydrophobicContact CG-CG 4.46Å; P463-E466 WeakPolarHBondContact CG-OE1 3.37Å; P463-E466 PolarHBondContact O-N 3.1Å; P464-E466 VanDerWaalsContact C-N 3.26Å; P464-E466 PolarHBondContact O-N 3.34Å
467F92.7Very high90.8Very high2 Ų270.1 Ų70.11%0.00938%0.377CS..  trans-73.8129-173.5173.2-101.1000112P417 H419 L462 P463 P464 P469 L487 Y491 R498P417-F467 HydrophobicContact CG-CD2 4.47Å; P417-F467 HydrophobicContact CG-CE2 4.07Å; H419-F467 HydrophobicContact CB-CE2 3.52Å; H419-F467 HydrophobicContact CB-CZ 3.44Å; H419-F467 VanDerWaalsContact CB-CZ 3.44Å; H419-F467 AromaticContact CG-CE2 3.84Å; L462-F467 HydrophobicContact CD2-CB 4.22Å; L462-F467 HydrophobicContact CD2-CD2 3.88Å; P463-F467 PolarHBondContact O-N 3.27Å; P464-F467 WeakPolarHBondContact O-CB 3.46Å; P464-F467 PolarHBondContact O-N 2.66Å; F467-P469 HydrophobicContact CE1-CG 3.77Å; F467-P469 HydrophobicContact CZ-CG 4.08Å; F467-L487 HydrophobicContact CE1-CD1 3.54Å; F467-L487 HydrophobicContact CE1-CD2 4.31Å; F467-L487 HydrophobicContact CZ-CD1 3.74Å; F467-L487 HydrophobicContact CZ-CD2 3.63Å; F467-L487 HydrophobicContact CZ-CG 4.33Å; F467-Y491 HydrophobicContact CB-CD1 3.74Å; F467-Y491 HydrophobicContact CB-CE1 4.26Å; F467-Y491 HydrophobicContact CD1-CD1 4.24Å; F467-Y491 AromaticContact CD2-CD1 3.74Å; F467-Y491 HydrophobicContact CD2-CD1 3.74Å; F467-Y491 HydrophobicContact CD2-CE1 4.28Å; F467-Y491 HydrophobicContact CE2-CD1 4.38Å; F467-Y491 AromaticContact CG-CD1 3.64Å; F467-Y491 HydrophobicContact CG-CD1 3.64Å; F467-Y491 HydrophobicContact CG-CE1 4.42Å; F467-R498 VanDerWaalsContact O-CZ 3.23Å; F467-R498 PolarHBondContact O-NH1 2.93Å; F467-R498 PolarHBondContact O-NH2 3.18Å
468C89Confident91.2Very high78 Ų7869.2 Ų69.253%0.52737%0.368SS..  trans-134.2123.3173.3-630000108.8R498C468-R498 PolarHBondContact SG-NH1 3.29Å
469P90Very high91.5Very high51 Ų5175.6 Ų75.633%0.33140%0.401SS..PPolyproline II helixtrans-61.2145.8172.1-25.135.9000112.3F467 H495F467-P469 HydrophobicContact CE1-CG 3.77Å; F467-P469 HydrophobicContact CZ-CG 4.08Å; P469-H495 VanDerWaalsContact CG-CD2 3.48Å; P469-H495 WeakPolarHBondContact CG-CD2 3.44Å
470L91.8Very high91.4Very high28 Ų2872.7 Ų72.715%0.14739%0.39CS..PPolyproline II helixtrans-96.5137.7174.7179.9146.7000107.8T359 V361 V380 H419 T420 V472T359-L470 HydrophobicContact CG2-CD1 4.29Å; V361-L470 HydrophobicContact CG2-CD1 4Å; V361-L470 HydrophobicContact CG2-CD2 4.08Å; V380-L470 HydrophobicContact CG2-CD1 4.34Å; H419-L470 PolarHBondContact CD2-N 2.91Å; H419-L470 VanDerWaalsContact NE2-CB 3.31Å; H419-L470 WeakPolarHBondContact NE2-CB 3.5Å; H419-L470 PolarHBondContact NE2-N 2.88Å; T420-L470 PolarHBondContact OG1-O 2.83Å; L470-V472 HydrophobicContact CD2-CG2 4.2Å
471V89.8Confident91.2Very high119 Ų11972.6 Ų72.672%0.72140%0.404SS*.PPolyproline II helixtrans-103.2131.21731790000108.2P473V471-P473 WeakPolarHBondContact O-CD 3.29Å
472V89.6Confident91Very high18 Ų1876 Ų7611%0.10942%0.419CS..  trans-79.5115171.11760000108.1L344 T420 H421 L470 F474L344-V472 HydrophobicContact CD1-CG1 3.57Å; T420-V472 WeakPolarHBondContact OG1-CG2 3.45Å; H421-V472 WeakPolarHBondContact O-CG2 3.45Å; L470-V472 HydrophobicContact CD2-CG2 4.2Å; V472-F474 HydrophobicContact CG1-CB 4.41Å; V472-F474 HydrophobicContact CG1-CD2 3.6Å; V472-F474 HydrophobicContact CG1-CE2 4.3Å; V472-F474 HydrophobicContact CG1-CG 4.46Å; V472-F474 PolarHBondContact O-N 2.9Å
473P86.8Confident90.9Very high59 Ų5976.7 Ų76.738%0.38342%0.423SS..  trans-83.523.4-168.935.2-37.3000113.6V471 L546V471-P473 WeakPolarHBondContact O-CD 3.29Å; P473-L546 HydrophobicContact CB-CD1 4.12Å; P473-L546 HydrophobicContact CG-CD1 3.9Å; P473-L546 HydrophobicContact CG-CD2 4.15Å
474F85Confident90.8Very high57 Ų5775 Ų7525%0.2541%0.412CS..SBendtrans-116.4139.3-175.3-49.3-65.9000111.2A320 Y342 L344 V472 M476 L546A320-F474 HydrophobicContact CB-CD1 4.04Å; A320-F474 HydrophobicContact CB-CD2 4.14Å; A320-F474 HydrophobicContact CB-CE1 3.44Å; A320-F474 VanDerWaalsContact CB-CE1 3.44Å; A320-F474 HydrophobicContact CB-CE2 3.58Å; A320-F474 HydrophobicContact CB-CG 4.37Å; A320-F474 HydrophobicContact CB-CZ 3.21Å; Y342-F474 AromaticContact CD1-CE2 3.7Å; Y342-F474 HydrophobicContact CD1-CE2 3.7Å; Y342-F474 AromaticContact CD2-CE2 3.61Å; Y342-F474 HydrophobicContact CD2-CE2 3.61Å; Y342-F474 AromaticContact CD2-CZ 3.73Å; Y342-F474 HydrophobicContact CD2-CZ 3.73Å; Y342-F474 HydrophobicContact CE1-CE2 4.11Å; Y342-F474 HydrophobicContact CE2-CE2 4.03Å; Y342-F474 AromaticContact CE2-CZ 3.96Å; Y342-F474 HydrophobicContact CE2-CZ 3.96Å; Y342-F474 HydrophobicContact CG-CD2 4.49Å; Y342-F474 AromaticContact CG-CE2 3.45Å; Y342-F474 HydrophobicContact CG-CE2 3.45Å; Y342-F474 VanDerWaalsContact CG-CE2 3.45Å; Y342-F474 HydrophobicContact CG-CZ 4.08Å; L344-F474 HydrophobicContact CD1-CD2 4.07Å; V472-F474 HydrophobicContact CG1-CB 4.41Å; V472-F474 HydrophobicContact CG1-CD2 3.6Å; V472-F474 HydrophobicContact CG1-CE2 4.3Å; V472-F474 HydrophobicContact CG1-CG 4.46Å; V472-F474 PolarHBondContact O-N 2.9Å; F474-M476 HydrophobicContact CB-CG 4.44Å; F474-L546 HydrophobicContact CE1-CD2 3.84Å; F474-L546 HydrophobicContact CZ-CD2 4.02Å
475R84.8Confident90.6Very high248 Ų24876.2 Ų76.294%0.93643%0.432SS*.  trans-79.1129.3168.6-64.7-175.5-180-176.9-0.6109
476M88.3Confident90.8Very high41 Ų4174.2 Ų74.220%0.20242%0.42CS..  trans-141.4163.3179.6-56.5176.362.900109.1D322 L344 Y422 P423 F474D322-M476 HydrophobicContact CB-CE 3.8Å; D322-M476 VanDerWaalsContact OD2-CE 3.27Å; D322-M476 WeakPolarHBondContact OD2-CE 3.4Å; L344-M476 HydrophobicContact CB-CE 4.08Å; L344-M476 HydrophobicContact CB-SD 4.36Å; L344-M476 HydrophobicContact CD1-CE 4.37Å; L344-M476 HydrophobicContact CD1-SD 3.57Å; L344-M476 VanDerWaalsContact CD1-SD 3.57Å; Y422-M476 HydrophobicContact CD2-CE 3.86Å; Y422-M476 HydrophobicContact CD2-SD 4.15Å; Y422-M476 HydrophobicContact CE2-CE 4.41Å; Y422-M476 HydrophobicContact CG-SD 4.33Å; P423-M476 HydrophobicContact CB-CB 4.16Å; P423-M476 HydrophobicContact CG-CB 3.9Å; F474-M476 HydrophobicContact CB-CG 4.44Å
477E87.3Confident90.9Very high180 Ų18070.8 Ų70.884%0.84140%0.404SS*.  trans-91.7141.9173.8-65.5-179.1174.500110.5S424S424-E477 PolarHBondContact OG-O 2.71Å
478G90.3Very high91.1Very high37 Ų3772.9 Ų72.938%0.38142%0.418SS..SBendtrans143.5171.8178.100000112.3P423P423-G478 CarbonylContact O-C 3.53Å; P423-G478 VanDerWaalsContact O-C 3.29Å; P423-G478 WeakPolarHBondContact O-CA 3.13Å
479D92.9Very high91.4Very high146 Ų14673 Ų7378%0.78142%0.42SS*.SBendtrans-104.5-12.1-168.6-62.7-34.6000113.6P423 C481P423-D479 PolarHBondContact O-N 2.77Å; P423-D479 VanDerWaalsContact O-N 3.11Å; D479-C481 PolarHBondContact O-N 2.91Å; D479-C481 VanDerWaalsContact O-N 3.17Å; D479-C481 PolarHBondContact O-SG 3.41Å
480T94.3Very high91.7Very high5 Ų576 Ų763%0.03143%0.433CS..  trans-69.6114.3-179.9-56.50000110.6H421 P423 L425 E426 E482 P484H421-T480 HydrophobicContact CB-CG2 4.05Å; H421-T480 PolarHBondContact CD2-O 3.15Å; P423-T480 WeakPolarHBondContact CA-O 3.37Å; P423-T480 WeakPolarHBondContact O-CB 3.37Å; P423-T480 PolarHBondContact O-N 2.84Å; P423-T480 PolarHBondContact O-OG1 3.12Å; L425-T480 HydrophobicContact CB-CG2 4.31Å; E426-T480 WeakPolarHBondContact CB-OG1 3.18Å; E426-T480 HydrophobicContact CG-CG2 3.97Å; E426-T480 VanDerWaalsContact CG-OG1 3.3Å; E426-T480 WeakPolarHBondContact CG-OG1 3.18Å; E426-T480 PolarHBondContact N-OG1 2.83Å; E426-T480 WeakPolarHBondContact OE2-CB 3.43Å; E426-T480 PolarHBondContact OE2-OG1 2.92Å; T480-E482 WeakPolarHBondContact CG2-O 3.25Å; T480-P484 HydrophobicContact CG2-CG 4.26Å
481C92.2Very high91.9Very high104 Ų10475.3 Ų75.370%0.70343%0.428SS*.  trans-116-0.6-178-62.30000113.8H421 D479H421-C481 PolarHBondContact CE1-O 3.39Å; H421-C481 VanDerWaalsContact CE1-O 3.26Å; H421-C481 PolarHBondContact NE2-O 2.8Å; D479-C481 PolarHBondContact O-N 2.91Å; D479-C481 VanDerWaalsContact O-N 3.17Å; D479-C481 PolarHBondContact O-SG 3.41Å
482E93.3Very high92.2Very high145 Ų14572.7 Ų72.768%0.67841%0.408SS*.SBendtrans-142.3168.4-178.263.9-177.4171.100111.4H421 T480 P484H421-E482 WeakPolarHBondContact CB-O 3.37Å; T480-E482 WeakPolarHBondContact CG2-O 3.25Å; E482-P484 VanDerWaalsContact O-CD 3.25Å; E482-P484 WeakPolarHBondContact O-CD 3.36Å
483V95.3Very high92.4Very high27 Ų2777.5 Ų77.516%0.16443%0.428CS..  trans-67.8118.7177.5-177.50000108.7F418 G485 G486F418-V483 HydrophobicContact CD1-CG1 4.05Å; F418-V483 HydrophobicContact CE1-CG1 4.43Å; V483-G485 PolarHBondContact O-N 3.13Å; V483-G486 WeakPolarHBondContact O-CA 3Å; V483-G486 PolarHBondContact O-N 3.26Å
484P94.9Very high92.8Very high6 Ų675.4 Ų75.44%0.03942%0.415CS..THydrogen-bonded Turntrans-58125.6180-26.836.7000111.6L425 E426 M429 V436 T480 E482 G486L425-P484 HydrophobicContact CD2-CG 3.61Å; L425-P484 HydrophobicContact CG-CG 4Å; E426-P484 HydrophobicContact CG-CB 4.2Å; E426-P484 HydrophobicContact CG-CG 3.81Å; M429-P484 HydrophobicContact SD-CB 4.02Å; M429-P484 HydrophobicContact SD-CG 4.1Å; V436-P484 HydrophobicContact CG1-CB 3.75Å; T480-P484 HydrophobicContact CG2-CG 4.26Å; E482-P484 VanDerWaalsContact O-CD 3.25Å; E482-P484 WeakPolarHBondContact O-CD 3.36Å; P484-G486 PolarHBondContact O-N 3.46Å
485G92.1Very high93.1Very high67 Ų6774.7 Ų74.769%0.69141%0.412SS*.THydrogen-bonded Turntrans79.5-0.4-176.800000115V483V483-G485 PolarHBondContact O-N 3.13Å
486G94.5Very high93.6Very high42 Ų4267.4 Ų67.443%0.43339%0.389SS..  trans67.4-175.7-179.400000114V483 P484V483-G486 WeakPolarHBondContact O-CA 3Å; V483-G486 PolarHBondContact O-N 3.26Å; P484-G486 PolarHBondContact O-N 3.46Å
487L94.9Very high93.8Very high26 Ų2671.7 Ų71.714%0.13641%0.408CS..  trans-91.1148.8174.6-60.7177.2000110.8H419 F467 Q492H419-L487 HydrophobicContact CB-CD2 3.87Å; F467-L487 HydrophobicContact CE1-CD1 3.54Å; F467-L487 HydrophobicContact CE1-CD2 4.31Å; F467-L487 HydrophobicContact CZ-CD1 3.74Å; F467-L487 HydrophobicContact CZ-CD2 3.63Å; F467-L487 HydrophobicContact CZ-CG 4.33Å; L487-Q492 HydrophobicContact CB-CB 4.17Å
488P95.8Very high94Very high46 Ų4667.2 Ų67.230%0.29938%0.384SS..  trans-59.2144.7170.5-15.826.6000110.6P417 W441 L490 Y491 Q492P417-P488 HydrophobicContact CB-CG 3.79Å; P417-P488 HydrophobicContact CG-CG 4.23Å; W441-P488 HydrophobicContact CZ2-CG 4.26Å; P488-L490 PolarHBondContact O-N 3.14Å; P488-Y491 HydrophobicContact CB-CD2 3.98Å; P488-Y491 HydrophobicContact CG-CD2 4.06Å; P488-Y491 WeakPolarHBondContact O-CA 3.44Å; P488-Y491 PolarHBondContact O-N 3.08Å; P488-Q492 PolarHBondContact O-N 2.87Å
489S94.9Very high94Very high81 Ų8169.9 Ų69.957%0.56639%0.386SS*.Hα-helixtrans-52.9-34.8-167.362.10000115.2K493S489-K493 WeakPolarHBondContact O-CB 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.44Å; S489-K493 PolarHBondContact O-N 3.09Å
490L96Very high94.1Very high114 Ų11468.9 Ų68.960%0.59738%0.375SS*.Hα-helixtrans-67.9-39.4176.7-64.4179000112.7P464 P488 A494P464-L490 HydrophobicContact CG-CB 4.15Å; P488-L490 PolarHBondContact O-N 3.14Å; L490-A494 PolarHBondContact O-N 2.92Å
491Y96.4Very high94Very high14 Ų1472.3 Ų72.36%0.05540%0.399CS..Hα-helixtrans-76.2-37.6177.8-65.1-93.5000111.1P417 W441 L462 P464 F467 P488 A494 H495P417-Y491 HydrophobicContact CG-CD1 3.88Å; P417-Y491 HydrophobicContact CG-CD2 3.91Å; P417-Y491 HydrophobicContact CG-CE1 3.97Å; P417-Y491 HydrophobicContact CG-CE2 4.01Å; P417-Y491 HydrophobicContact CG-CG 3.83Å; W441-Y491 AromaticContact CH2-CE2 3.95Å; W441-Y491 HydrophobicContact CH2-CE2 3.95Å; W441-Y491 AromaticContact CH2-CZ 3.95Å; W441-Y491 WeakPolarHBondContact CH2-OH 3.44Å; W441-Y491 HydrophobicContact CZ2-CE2 4.08Å; L462-Y491 HydrophobicContact CB-CE1 4.38Å; L462-Y491 HydrophobicContact CG-CE1 4.45Å; L462-Y491 VanDerWaalsContact O-CE1 3.31Å; L462-Y491 WeakPolarHBondContact O-CE1 3.33Å; L462-Y491 PolarHBondContact O-OH 3.18Å; P464-Y491 HydrophobicContact CB-CD1 4.29Å; P464-Y491 HydrophobicContact CG-CD1 4.38Å; P464-Y491 HydrophobicContact CG-CE1 4.3Å; F467-Y491 HydrophobicContact CB-CD1 3.74Å; F467-Y491 HydrophobicContact CB-CE1 4.26Å; F467-Y491 HydrophobicContact CD1-CD1 4.24Å; F467-Y491 AromaticContact CD2-CD1 3.74Å; F467-Y491 HydrophobicContact CD2-CD1 3.74Å; F467-Y491 HydrophobicContact CD2-CE1 4.28Å; F467-Y491 HydrophobicContact CE2-CD1 4.38Å; F467-Y491 AromaticContact CG-CD1 3.64Å; F467-Y491 HydrophobicContact CG-CD1 3.64Å; F467-Y491 HydrophobicContact CG-CE1 4.42Å; P488-Y491 HydrophobicContact CB-CD2 3.98Å; P488-Y491 HydrophobicContact CG-CD2 4.06Å; P488-Y491 WeakPolarHBondContact O-CA 3.44Å; P488-Y491 PolarHBondContact O-N 3.08Å; Y491-A494 PolarHBondContact O-N 2.83Å; Y491-H495 WeakPolarHBondContact O-CB 3.5Å; Y491-H495 PolarHBondContact O-N 3.14Å
492Q95.6Very high93.9Very high63 Ų6370.8 Ų70.829%0.29439%0.387SS..Hα-helixtrans-58.2-49.6173.9-175.96132.100111.3L487 P488 A494 H495 E496L487-Q492 HydrophobicContact CB-CB 4.17Å; P488-Q492 PolarHBondContact O-N 2.87Å; Q492-A494 PolarHBondContact O-N 3.4Å; Q492-H495 WeakPolarHBondContact O-CB 3.38Å; Q492-H495 PolarHBondContact O-N 2.89Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.12Å; Q492-E496 PolarHBondContact NE2-OE1 3.19Å; Q492-E496 WeakPolarHBondContact O-CG 3.5Å; Q492-E496 PolarHBondContact O-N 2.88Å
493K95.4Very high93.9Very high120 Ų12069.6 Ų69.652%0.52238%0.381SS..Hα-helixtrans-59.3-45.9176.3-73.9172.7-177.7-177.90112.6S489 H495 E496 E497S489-K493 WeakPolarHBondContact O-CB 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.44Å; S489-K493 PolarHBondContact O-N 3.09Å; K493-H495 VanDerWaalsContact C-N 3.26Å; K493-H495 PolarHBondContact O-N 3.43Å; K493-E496 PolarHBondContact O-N 3.22Å; K493-E497 WeakPolarHBondContact O-CB 3.47Å; K493-E497 WeakPolarHBondContact O-CG 3.36Å; K493-E497 PolarHBondContact O-N 3.12Å
494A94.4Very high93.8Very high14 Ų1472.5 Ų72.512%0.11640%0.395CS..Hα-helixtrans-63.5-34.1178.600000112.2P464 L490 Y491 Q492 R498P464-A494 HydrophobicContact CB-CB 3.7Å; P464-A494 WeakPolarHBondContact O-CB 3.37Å; L490-A494 PolarHBondContact O-N 2.92Å; Y491-A494 PolarHBondContact O-N 2.83Å; Q492-A494 PolarHBondContact O-N 3.4Å; A494-R498 PolarHBondContact O-N 3.39Å
495H92.2Very high93.6Very high42 Ų4278 Ų7819%0.19442%0.415CS..Hα-helixtrans-66.1-50.8173.6-174.7-98.4000111.6P469 Y491 Q492 K493 E497 R498 E499P469-H495 VanDerWaalsContact CG-CD2 3.48Å; P469-H495 WeakPolarHBondContact CG-CD2 3.44Å; Y491-H495 WeakPolarHBondContact O-CB 3.5Å; Y491-H495 PolarHBondContact O-N 3.14Å; Q492-H495 WeakPolarHBondContact O-CB 3.38Å; Q492-H495 PolarHBondContact O-N 2.89Å; K493-H495 VanDerWaalsContact C-N 3.26Å; K493-H495 PolarHBondContact O-N 3.43Å; H495-E497 VanDerWaalsContact C-N 3.34Å; H495-E497 PolarHBondContact O-N 3.04Å; H495-R498 WeakPolarHBondContact O-CB 3.37Å; H495-R498 PolarHBondContact O-N 3.32Å; H495-R498 VanDerWaalsContact O-N 3.08Å; H495-E499 IonicContact CE1-OE1 3.75Å; H495-E499 PolarHBondContact CE1-OE1 3.5Å; H495-E499 IonicContact CE1-OE2 3.86Å; H495-E499 IonicContact ND1-OE1 3.63Å; H495-E499 IonicContact ND1-OE2 3.89Å; H495-E499 PolarHBondContact ND1-OE2 2.94Å; H495-E499 PolarHBondContact O-N 3.15Å
496E93.6Very high93.4Very high95 Ų9580 Ų8044%0.44441%0.407SS..Hα-helixtrans-60-40.8178.4-71.3167.2-173.500112.3Q492 K493 R498 E499 K500Q492-E496 WeakPolarHBondContact CG-OE1 3.12Å; Q492-E496 PolarHBondContact NE2-OE1 3.19Å; Q492-E496 WeakPolarHBondContact O-CG 3.5Å; Q492-E496 PolarHBondContact O-N 2.88Å; K493-E496 PolarHBondContact O-N 3.22Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.11Å; E496-E499 PolarHBondContact O-N 3Å; E496-K500 VanDerWaalsContact O-CB 3.29Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 PolarHBondContact O-N 3.18Å
497E93.6Very high93.2Very high131 Ų13184.1 Ų84.161%0.61241%0.413SS*.Hα-helixtrans-61.7-37.8174.9-76173.7-179.100112K493 H495 S501K493-E497 WeakPolarHBondContact O-CB 3.47Å; K493-E497 WeakPolarHBondContact O-CG 3.36Å; K493-E497 PolarHBondContact O-N 3.12Å; H495-E497 VanDerWaalsContact C-N 3.34Å; H495-E497 PolarHBondContact O-N 3.04Å; E497-S501 WeakPolarHBondContact O-CB 3.46Å; E497-S501 PolarHBondContact O-N 2.86Å; E497-S501 PolarHBondContact O-OG 2.72Å
498R90.8Very high93.1Very high86 Ų8689 Ų8933%0.32544%0.436SS..Hα-helixtrans-71.7-43.8176.3-168.1179.4-63.1153.74.2111.8A465 F467 C468 A494 H495 E496 K500 S501 V502A465-R498 PolarHBondContact O-NH2 3.45Å; F467-R498 VanDerWaalsContact O-CZ 3.23Å; F467-R498 PolarHBondContact O-NH1 2.93Å; F467-R498 PolarHBondContact O-NH2 3.18Å; C468-R498 PolarHBondContact SG-NH1 3.29Å; A494-R498 PolarHBondContact O-N 3.39Å; H495-R498 WeakPolarHBondContact O-CB 3.37Å; H495-R498 PolarHBondContact O-N 3.32Å; H495-R498 VanDerWaalsContact O-N 3.08Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.11Å; R498-K500 VanDerWaalsContact C-N 3.3Å; R498-K500 PolarHBondContact O-N 3.2Å; R498-S501 WeakPolarHBondContact O-CB 3.28Å; R498-S501 PolarHBondContact O-N 3.05Å; R498-S501 VanDerWaalsContact O-N 3.15Å; R498-V502 WeakPolarHBondContact O-CG2 3.27Å; R498-V502 PolarHBondContact O-N 3.34Å
499E90.9Very high92.6Very high93 Ų9388.8 Ų88.844%0.43544%0.435SS..Hα-helixtrans-59.1-44.4174.9-73.3-175.513500111.3H495 E496 S501 V502 Q503H495-E499 IonicContact CE1-OE1 3.75Å; H495-E499 PolarHBondContact CE1-OE1 3.5Å; H495-E499 IonicContact CE1-OE2 3.86Å; H495-E499 IonicContact ND1-OE1 3.63Å; H495-E499 IonicContact ND1-OE2 3.89Å; H495-E499 PolarHBondContact ND1-OE2 2.94Å; H495-E499 PolarHBondContact O-N 3.15Å; E496-E499 PolarHBondContact O-N 3Å; E499-S501 VanDerWaalsContact C-N 3.32Å; E499-S501 PolarHBondContact O-N 2.93Å; E499-V502 WeakPolarHBondContact O-CB 3.41Å; E499-V502 PolarHBondContact O-N 3.2Å; E499-V502 VanDerWaalsContact O-N 3.17Å; E499-Q503 WeakPolarHBondContact O-CG 3.44Å; E499-Q503 PolarHBondContact O-N 2.73Å
500K94.3Very high92.2Very high126 Ų12692.8 Ų92.855%0.54844%0.442SS..Hα-helixtrans-59.2-43.5174.1-175.2-179.9177.8-177.50111.7E496 R498 V502 Q503 D504E496-K500 VanDerWaalsContact O-CB 3.29Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 PolarHBondContact O-N 3.18Å; R498-K500 VanDerWaalsContact C-N 3.3Å; R498-K500 PolarHBondContact O-N 3.2Å; K500-V502 VanDerWaalsContact C-N 3.29Å; K500-V502 PolarHBondContact O-N 3.29Å; K500-Q503 PolarHBondContact O-N 3.15Å; K500-D504 WeakPolarHBondContact O-CB 3.28Å; K500-D504 VanDerWaalsContact O-CG 3.31Å; K500-D504 PolarHBondContact O-N 3.36Å
501S92.8Very high92.1Very high76 Ų7691.5 Ų91.553%0.53144%0.436SS..Hα-helixtrans-61.1-38.5176.7-59.20000112.2E497 R498 E499 W505E497-S501 WeakPolarHBondContact O-CB 3.46Å; E497-S501 PolarHBondContact O-N 2.86Å; E497-S501 PolarHBondContact O-OG 2.72Å; R498-S501 WeakPolarHBondContact O-CB 3.28Å; R498-S501 PolarHBondContact O-N 3.05Å; R498-S501 VanDerWaalsContact O-N 3.15Å; E499-S501 VanDerWaalsContact C-N 3.32Å; E499-S501 PolarHBondContact O-N 2.93Å; S501-W505 WeakPolarHBondContact O-CB 3.36Å; S501-W505 PolarHBondContact O-N 2.91Å
502V89.5Confident91.7Very high73 Ų7393.5 Ų93.544%0.44246%0.455SS..Hα-helixtrans-66.9-43.7174.5173.30000111.1R498 E499 K500 W505 Q506R498-V502 WeakPolarHBondContact O-CG2 3.27Å; R498-V502 PolarHBondContact O-N 3.34Å; E499-V502 WeakPolarHBondContact O-CB 3.41Å; E499-V502 PolarHBondContact O-N 3.2Å; E499-V502 VanDerWaalsContact O-N 3.17Å; K500-V502 VanDerWaalsContact C-N 3.29Å; K500-V502 PolarHBondContact O-N 3.29Å; V502-W505 PolarHBondContact O-N 3.29Å; V502-Q506 WeakPolarHBondContact O-CG 3.33Å; V502-Q506 PolarHBondContact O-N 2.89Å
503Q92.9Very high91.2Very high120 Ų12098.1 Ų98.156%0.56148%0.476SS*.Hα-helixtrans-63.5-43.7176.9-70.2173.2900112E499 K500 W505 Q506 K507E499-Q503 WeakPolarHBondContact O-CG 3.44Å; E499-Q503 PolarHBondContact O-N 2.73Å; K500-Q503 PolarHBondContact O-N 3.15Å; Q503-W505 VanDerWaalsContact C-N 3.31Å; Q503-W505 PolarHBondContact O-N 3.5Å; Q503-Q506 PolarHBondContact O-N 2.91Å; Q503-K507 WeakPolarHBondContact O-CB 3.36Å; Q503-K507 PolarHBondContact O-N 3.21Å
504D94.3Very high90.8Very high87 Ų8794.2 Ų94.247%0.46546%0.461SS..Hα-helixtrans-62.5-40176.6-74-22.6000110.8K500 K507 M508K500-D504 WeakPolarHBondContact O-CB 3.28Å; K500-D504 VanDerWaalsContact O-CG 3.31Å; K500-D504 PolarHBondContact O-N 3.36Å; D504-K507 PolarHBondContact O-N 3.34Å; D504-M508 WeakPolarHBondContact O-CB 3.48Å; D504-M508 PolarHBondContact O-N 3.41Å
505W89.7Confident90.6Very high121 Ų12197.6 Ų97.646%0.45848%0.477SS..Hα-helixtrans-64-46.4172.9177.483.9000112.4S501 V502 Q503 K507 M508 V509 F522S501-W505 WeakPolarHBondContact O-CB 3.36Å; S501-W505 PolarHBondContact O-N 2.91Å; V502-W505 PolarHBondContact O-N 3.29Å; Q503-W505 VanDerWaalsContact C-N 3.31Å; Q503-W505 PolarHBondContact O-N 3.5Å; W505-K507 VanDerWaalsContact C-N 3.29Å; W505-K507 PolarHBondContact O-N 3.05Å; W505-M508 WeakPolarHBondContact O-CB 3.48Å; W505-M508 PolarHBondContact O-N 2.82Å; W505-V509 HydrophobicContact CD2-CG2 4.17Å; W505-V509 HydrophobicContact CH2-CG2 4.42Å; W505-V509 HydrophobicContact CZ2-CG2 4.03Å; W505-V509 WeakPolarHBondContact O-CG2 3.36Å; W505-V509 PolarHBondContact O-N 2.94Å; W505-F522 HydrophobicContact CH2-CE1 4.45Å; W505-F522 HydrophobicContact CH2-CZ 4.38Å; W505-F522 HydrophobicContact CZ2-CE1 4.15Å; W505-F522 AromaticContact CZ2-CZ 3.65Å; W505-F522 HydrophobicContact CZ2-CZ 3.65Å
506Q88.1Confident90.4Very high110 Ų110104.6 Ų104.651%0.51451%0.507SS..Hα-helixtrans-60.3-40.7176.6-73.4177.4-4.100111.7V502 Q503 V509 K510V502-Q506 WeakPolarHBondContact O-CG 3.33Å; V502-Q506 PolarHBondContact O-N 2.89Å; Q503-Q506 PolarHBondContact O-N 2.91Å; Q506-V509 PolarHBondContact O-N 3.21Å; Q506-K510 WeakPolarHBondContact O-CB 3.42Å; Q506-K510 PolarHBondContact O-N 3.32Å
507K91.5Very high90.3Very high128 Ų128103.9 Ų103.956%0.55750%0.504SS*.Hα-helixtrans-63.9-45.9174.9-174.1-179.5177.3-174.20111.3Q503 D504 W505 V509 K510 D511Q503-K507 WeakPolarHBondContact O-CB 3.36Å; Q503-K507 PolarHBondContact O-N 3.21Å; D504-K507 PolarHBondContact O-N 3.34Å; W505-K507 VanDerWaalsContact C-N 3.29Å; W505-K507 PolarHBondContact O-N 3.05Å; K507-V509 VanDerWaalsContact C-N 3.31Å; K507-V509 PolarHBondContact O-N 2.74Å; K507-K510 WeakPolarHBondContact O-CB 3.5Å; K507-K510 PolarHBondContact O-N 3.39Å; K507-K510 VanDerWaalsContact O-N 3.12Å; K507-D511 WeakPolarHBondContact CG-OD2 3.14Å; K507-D511 WeakPolarHBondContact O-CB 3.31Å; K507-D511 VanDerWaalsContact O-CG 3.25Å; K507-D511 PolarHBondContact O-N 3.47Å
508M91.6Very high90.1Very high128 Ų128102 Ų10263%0.63149%0.494SS*.Hα-helixtrans-56.3-44.4175.2-174.6-159.8-61.800111.7D504 W505 K510 D511 A512D504-M508 WeakPolarHBondContact O-CB 3.48Å; D504-M508 PolarHBondContact O-N 3.41Å; W505-M508 WeakPolarHBondContact O-CB 3.48Å; W505-M508 PolarHBondContact O-N 2.82Å; M508-K510 VanDerWaalsContact C-N 3.34Å; M508-K510 PolarHBondContact O-N 3Å; M508-D511 PolarHBondContact O-N 3.49Å; M508-A512 WeakPolarHBondContact O-CB 3.37Å; M508-A512 PolarHBondContact O-N 3.32Å
509V87.1Confident89.9Confident43 Ų43105.2 Ų105.226%0.26151%0.507SS..Hα-helixtrans-63.9-39.7177.4173.10000111.5W505 Q506 K507 F522W505-V509 HydrophobicContact CD2-CG2 4.17Å; W505-V509 HydrophobicContact CH2-CG2 4.42Å; W505-V509 HydrophobicContact CZ2-CG2 4.03Å; W505-V509 WeakPolarHBondContact O-CG2 3.36Å; W505-V509 PolarHBondContact O-N 2.94Å; Q506-V509 PolarHBondContact O-N 3.21Å; K507-V509 VanDerWaalsContact C-N 3.31Å; K507-V509 PolarHBondContact O-N 2.74Å; V509-F522 HydrophobicContact CG1-CD1 4.47Å; V509-F522 HydrophobicContact CG1-CE1 3.87Å; V509-F522 HydrophobicContact CG1-CZ 4.47Å; V509-F522 HydrophobicContact CG2-CE1 3.91Å; V509-F522 HydrophobicContact CG2-CZ 3.72Å
510K86.4Confident89.8Confident164 Ų164108.3 Ų108.371%0.71352%0.515SS*.Hα-helixtrans-66.8-42.8177-171.8179.2178.6-178.80112Q506 K507 M508 A512Q506-K510 WeakPolarHBondContact O-CB 3.42Å; Q506-K510 PolarHBondContact O-N 3.32Å; K507-K510 WeakPolarHBondContact O-CB 3.5Å; K507-K510 PolarHBondContact O-N 3.39Å; K507-K510 VanDerWaalsContact O-N 3.12Å; M508-K510 VanDerWaalsContact C-N 3.34Å; M508-K510 PolarHBondContact O-N 3Å; K510-A512 VanDerWaalsContact C-N 3.31Å
511D92.5Very high89.7Confident88 Ų88108 Ų10847%0.47152%0.515SS..Hα-helixtrans-77.3-16.7-177.5-66.1-10.1000112.4K507 M508 H513K507-D511 WeakPolarHBondContact CG-OD2 3.14Å; K507-D511 WeakPolarHBondContact O-CB 3.31Å; K507-D511 VanDerWaalsContact O-CG 3.25Å; K507-D511 PolarHBondContact O-N 3.47Å; M508-D511 PolarHBondContact O-N 3.49Å; D511-H513 PolarHBondContact O-CD2 3.22Å; D511-H513 PolarHBondContact O-N 2.84Å; D511-H513 VanDerWaalsContact O-N 3.11Å
512A87.9Confident89.5Confident56 Ų56107.6 Ų107.646%0.46350%0.504SS..THydrogen-bonded Turntrans-67.8-4.7175.200000114.2M508 K510 L514M508-A512 WeakPolarHBondContact O-CB 3.37Å; M508-A512 PolarHBondContact O-N 3.32Å; K510-A512 VanDerWaalsContact C-N 3.31Å; A512-L514 HydrophobicContact CB-CD2 4.12Å; A512-L514 HydrophobicContact CB-CG 4.04Å; A512-L514 PolarHBondContact O-N 2.93Å
513H85.9Confident89.4Confident159 Ų159109.4 Ų109.474%0.73651%0.507SS*.THydrogen-bonded Turntrans46.436.6176.5-64.6-63.1000114.5D511 N515D511-H513 PolarHBondContact O-CD2 3.22Å; D511-H513 PolarHBondContact O-N 2.84Å; D511-H513 VanDerWaalsContact O-N 3.11Å; H513-N515 PolarHBondContact O-N 2.68Å
514L86.9Confident89.3Confident38 Ų38106.1 Ų106.120%0.19950%0.501CS..  trans-57132.7-175.9-60.7176.5000111.2A512 Q518 R519 F522A512-L514 HydrophobicContact CB-CD2 4.12Å; A512-L514 HydrophobicContact CB-CG 4.04Å; A512-L514 PolarHBondContact O-N 2.93Å; L514-Q518 HydrophobicContact CB-CB 4.16Å; L514-Q518 HydrophobicContact CD2-CB 4.17Å; L514-R519 HydrophobicContact CB-CG 3.58Å; L514-R519 HydrophobicContact CD1-CG 4.4Å; L514-R519 PolarHBondContact O-NE 2.77Å; L514-R519 PolarHBondContact O-NH2 3.06Å; L514-F522 HydrophobicContact CD1-CB 4.35Å; L514-F522 HydrophobicContact CD1-CD1 4.49Å; L514-F522 HydrophobicContact CD1-CG 4.38Å
515N90Very high89.2Confident85 Ų85106.4 Ų106.446%0.45550%0.502SS..  trans-71.3170.4172.673.135.5000111.1H513 E517 Q518 R519H513-N515 PolarHBondContact O-N 2.68Å; N515-E517 VanDerWaalsContact C-N 3.28Å; N515-E517 PolarHBondContact O-N 2.99Å; N515-E517 PolarHBondContact OD1-N 3.22Å; N515-E517 VanDerWaalsContact OD1-N 3.12Å; N515-Q518 VanDerWaalsContact N-OE1 3.09Å; N515-Q518 PolarHBondContact ND2-OE1 3.31Å; N515-Q518 PolarHBondContact O-N 3.45Å; N515-Q518 WeakPolarHBondContact OD1-CB 3.25Å; N515-Q518 WeakPolarHBondContact OD1-CG 3.38Å; N515-Q518 PolarHBondContact OD1-N 3.36Å; N515-R519 WeakPolarHBondContact O-CG 3.44Å; N515-R519 PolarHBondContact O-N 3.07Å
516K89Confident89.2Confident189 Ų189103.4 Ų103.482%0.82250%0.497SS*.Hα-helixtrans-57.4-38.6-174.5-170178.1179.7-178.80113.2R520K516-R520 PolarHBondContact O-N 3.14Å
517E90.9Very high89.3Confident81 Ų81102.5 Ų102.538%0.37949%0.493SS..Hα-helixtrans-73.6-43.4-179.3-174.856.5-150.700111.6N515 R519 R520 Q521N515-E517 VanDerWaalsContact C-N 3.28Å; N515-E517 PolarHBondContact O-N 2.99Å; N515-E517 PolarHBondContact OD1-N 3.22Å; N515-E517 VanDerWaalsContact OD1-N 3.12Å; E517-R519 VanDerWaalsContact C-N 3.34Å; E517-R519 PolarHBondContact O-N 2.74Å; E517-R520 VanDerWaalsContact CD-NH2 3.33Å; E517-R520 WeakPolarHBondContact O-CB 3.46Å; E517-R520 PolarHBondContact O-N 3.04Å; E517-R520 IonicContact OE1-CZ 3.5Å; E517-R520 IonicContact OE1-NE 3.48Å; E517-R520 PolarHBondContact OE1-NE 3.45Å; E517-R520 IonicContact OE1-NH2 2.92Å; E517-R520 PolarHBondContact OE1-NH2 3.41Å; E517-R520 IonicContact OE2-CZ 3.73Å; E517-R520 IonicContact OE2-NE 2.85Å; E517-R520 PolarHBondContact OE2-NE 3.36Å; E517-R520 IonicContact OE2-NH2 3.45Å; E517-R520 PolarHBondContact OE2-NH2 3.48Å; E517-R520 VanDerWaalsContact OE2-NH2 3.15Å; E517-Q521 WeakPolarHBondContact O-CG 3.41Å; E517-Q521 PolarHBondContact O-N 3.13Å; E517-Q521 PolarHBondContact OE1-NE2 2.86Å
518Q88.6Confident89.3Confident90 Ų90101.4 Ų101.442%0.42149%0.489SS..Hα-helixtrans-63.1-38.8175.5-71.1170.7-36.500112L514 N515 R520 Q521 F522L514-Q518 HydrophobicContact CB-CB 4.16Å; L514-Q518 HydrophobicContact CD2-CB 4.17Å; N515-Q518 VanDerWaalsContact N-OE1 3.09Å; N515-Q518 PolarHBondContact ND2-OE1 3.31Å; N515-Q518 PolarHBondContact O-N 3.45Å; N515-Q518 WeakPolarHBondContact OD1-CB 3.25Å; N515-Q518 WeakPolarHBondContact OD1-CG 3.38Å; N515-Q518 PolarHBondContact OD1-N 3.36Å; Q518-R520 VanDerWaalsContact C-N 3.34Å; Q518-Q521 PolarHBondContact O-N 3.39Å; Q518-F522 VanDerWaalsContact O-CB 3.25Å; Q518-F522 WeakPolarHBondContact O-CB 3.38Å; Q518-F522 PolarHBondContact O-N 3.27Å
519R87.6Confident89.3Confident154 Ų154100.9 Ų100.958%0.58148%0.484SS*.Hα-helixtrans-61.2-43173.1-73.4-177.5-166.6-166.2-1.4111.6L514 N515 E517 F522 Q523L514-R519 HydrophobicContact CB-CG 3.58Å; L514-R519 HydrophobicContact CD1-CG 4.4Å; L514-R519 PolarHBondContact O-NE 2.77Å; L514-R519 PolarHBondContact O-NH2 3.06Å; N515-R519 WeakPolarHBondContact O-CG 3.44Å; N515-R519 PolarHBondContact O-N 3.07Å; E517-R519 VanDerWaalsContact C-N 3.34Å; E517-R519 PolarHBondContact O-N 2.74Å; R519-F522 PolarHBondContact O-N 3.45Å; R519-Q523 VanDerWaalsContact O-CB 3.28Å; R519-Q523 WeakPolarHBondContact O-CB 3.5Å; R519-Q523 PolarHBondContact O-N 3.15Å
520R88.9Confident89.3Confident159 Ų159103.9 Ų103.960%0.649%0.493SS*.Hα-helixtrans-63.5-44.5177.6-171.118070.5156.32.8111.7K516 E517 Q518 Q523 A524K516-R520 PolarHBondContact O-N 3.14Å; E517-R520 VanDerWaalsContact CD-NH2 3.33Å; E517-R520 WeakPolarHBondContact O-CB 3.46Å; E517-R520 PolarHBondContact O-N 3.04Å; E517-R520 IonicContact OE1-CZ 3.5Å; E517-R520 IonicContact OE1-NE 3.48Å; E517-R520 PolarHBondContact OE1-NE 3.45Å; E517-R520 IonicContact OE1-NH2 2.92Å; E517-R520 PolarHBondContact OE1-NH2 3.41Å; E517-R520 IonicContact OE2-CZ 3.73Å; E517-R520 IonicContact OE2-NE 2.85Å; E517-R520 PolarHBondContact OE2-NE 3.36Å; E517-R520 IonicContact OE2-NH2 3.45Å; E517-R520 PolarHBondContact OE2-NH2 3.48Å; E517-R520 VanDerWaalsContact OE2-NH2 3.15Å; Q518-R520 VanDerWaalsContact C-N 3.34Å; R520-Q523 PolarHBondContact O-N 2.82Å; R520-A524 WeakPolarHBondContact O-CB 3.35Å; R520-A524 PolarHBondContact O-N 2.95Å
521Q90.9Very high89.3Confident119 Ų119100.8 Ų100.856%0.55648%0.481SS*.Hα-helixtrans-65-43.2177-70.3176.40.500112.1E517 Q518 A524 L525E517-Q521 WeakPolarHBondContact O-CG 3.41Å; E517-Q521 PolarHBondContact O-N 3.13Å; E517-Q521 PolarHBondContact OE1-NE2 2.86Å; Q518-Q521 PolarHBondContact O-N 3.39Å; Q521-A524 PolarHBondContact O-N 2.9Å; Q521-L525 PolarHBondContact O-N 3.12Å
522F88.7Confident89.1Confident67 Ų6799.7 Ų99.729%0.29447%0.473SS..Hα-helixtrans-62.9-45.6176.4-179.2-106.1000111.7W505 V509 L514 Q518 R519 A524 L525 V526W505-F522 HydrophobicContact CH2-CE1 4.45Å; W505-F522 HydrophobicContact CH2-CZ 4.38Å; W505-F522 HydrophobicContact CZ2-CE1 4.15Å; W505-F522 AromaticContact CZ2-CZ 3.65Å; W505-F522 HydrophobicContact CZ2-CZ 3.65Å; V509-F522 HydrophobicContact CG1-CD1 4.47Å; V509-F522 HydrophobicContact CG1-CE1 3.87Å; V509-F522 HydrophobicContact CG1-CZ 4.47Å; V509-F522 HydrophobicContact CG2-CE1 3.91Å; V509-F522 HydrophobicContact CG2-CZ 3.72Å; L514-F522 HydrophobicContact CD1-CB 4.35Å; L514-F522 HydrophobicContact CD1-CD1 4.49Å; L514-F522 HydrophobicContact CD1-CG 4.38Å; Q518-F522 VanDerWaalsContact O-CB 3.25Å; Q518-F522 WeakPolarHBondContact O-CB 3.38Å; Q518-F522 PolarHBondContact O-N 3.27Å; R519-F522 PolarHBondContact O-N 3.45Å; F522-A524 PolarHBondContact O-N 3.18Å; F522-L525 WeakPolarHBondContact O-CB 3.38Å; F522-L525 PolarHBondContact O-N 3.24Å; F522-V526 HydrophobicContact CD1-CG2 4.22Å; F522-V526 HydrophobicContact CE1-CG2 3.85Å; F522-V526 HydrophobicContact CE2-CG2 4.19Å; F522-V526 HydrophobicContact CZ-CG2 3.85Å; F522-V526 WeakPolarHBondContact O-CG2 3.35Å; F522-V526 PolarHBondContact O-N 3.4Å
523Q87.9Confident89.1Confident112 Ų112103.1 Ų103.152%0.52347%0.474SS..Hα-helixtrans-58.8-46.7175.7180175.2-3.300111.4R519 R520 L525 V526 E527R519-Q523 VanDerWaalsContact O-CB 3.28Å; R519-Q523 WeakPolarHBondContact O-CB 3.5Å; R519-Q523 PolarHBondContact O-N 3.15Å; R520-Q523 PolarHBondContact O-N 2.82Å; Q523-L525 VanDerWaalsContact C-N 3.28Å; Q523-L525 PolarHBondContact O-N 3.44Å; Q523-V526 PolarHBondContact O-N 3.19Å; Q523-E527 HydrophobicContact CG-CG 4.35Å; Q523-E527 VanDerWaalsContact CG-OE1 3.28Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.26Å; Q523-E527 PolarHBondContact NE2-OE1 2.82Å; Q523-E527 WeakPolarHBondContact O-CB 3.38Å; Q523-E527 WeakPolarHBondContact O-CG 3.35Å; Q523-E527 PolarHBondContact O-N 2.87Å
524A91.2Very high89Confident51 Ų5196.3 Ų96.342%0.42144%0.443SS..Hα-helixtrans-59.7-38.6177.300000112.4R520 Q521 F522 Q528R520-A524 WeakPolarHBondContact O-CB 3.35Å; R520-A524 PolarHBondContact O-N 2.95Å; Q521-A524 PolarHBondContact O-N 2.9Å; F522-A524 PolarHBondContact O-N 3.18Å; A524-Q528 WeakPolarHBondContact O-CB 3.32Å; A524-Q528 PolarHBondContact O-N 3.11Å
525L92.9Very high88.6Confident92 Ų9299.5 Ų99.548%0.48246%0.46SS..Hα-helixtrans-67.4-44.2176.1-17475.3000112Q521 F522 Q523 Q528 K529Q521-L525 PolarHBondContact O-N 3.12Å; F522-L525 WeakPolarHBondContact O-CB 3.38Å; F522-L525 PolarHBondContact O-N 3.24Å; Q523-L525 VanDerWaalsContact C-N 3.28Å; Q523-L525 PolarHBondContact O-N 3.44Å; L525-Q528 PolarHBondContact O-N 3.4Å; L525-K529 WeakPolarHBondContact O-CB 3.39Å; L525-K529 WeakPolarHBondContact O-CG 3.49Å; L525-K529 PolarHBondContact O-N 2.86Å
526V89.3Confident88Confident58 Ų58103.3 Ų103.335%0.35248%0.475SS..Hα-helixtrans-62.5-45.8177.1171.40000110.1F522 Q523 Q528 K529 F530F522-V526 HydrophobicContact CD1-CG2 4.22Å; F522-V526 HydrophobicContact CE1-CG2 3.85Å; F522-V526 HydrophobicContact CE2-CG2 4.19Å; F522-V526 HydrophobicContact CZ-CG2 3.85Å; F522-V526 WeakPolarHBondContact O-CG2 3.35Å; F522-V526 PolarHBondContact O-N 3.4Å; Q523-V526 PolarHBondContact O-N 3.19Å; V526-Q528 PolarHBondContact O-N 2.9Å; V526-K529 PolarHBondContact O-N 2.9Å; V526-F530 VanDerWaalsContact O-CB 3.27Å; V526-F530 WeakPolarHBondContact O-CB 3.44Å; V526-F530 PolarHBondContact O-N 3.33Å
527E89.3Confident87.3Confident92 Ų9296.7 Ų96.743%0.4345%0.452SS..Hα-helixtrans-59.5-47.3175.4-74.7172.7-171.700110.9Q523 K529 F530 H531Q523-E527 HydrophobicContact CG-CG 4.35Å; Q523-E527 VanDerWaalsContact CG-OE1 3.28Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.26Å; Q523-E527 PolarHBondContact NE2-OE1 2.82Å; Q523-E527 WeakPolarHBondContact O-CB 3.38Å; Q523-E527 WeakPolarHBondContact O-CG 3.35Å; Q523-E527 PolarHBondContact O-N 2.87Å; E527-K529 PolarHBondContact O-N 2.92Å; E527-F530 PolarHBondContact O-N 3.35Å; E527-H531 PolarHBondContact O-N 3.17Å; E527-H531 PolarHBondContact O-ND1 3.42Å
528Q92.6Very high86.2Confident104 Ų10494.6 Ų94.649%0.48645%0.452SS..Hα-helixtrans-57.7-49.5176.3-178.2-171.7-17.500111.5A524 L525 V526 F530 H531 E532A524-Q528 WeakPolarHBondContact O-CB 3.32Å; A524-Q528 PolarHBondContact O-N 3.11Å; L525-Q528 PolarHBondContact O-N 3.4Å; V526-Q528 PolarHBondContact O-N 2.9Å; Q528-F530 VanDerWaalsContact C-N 3.3Å; Q528-F530 PolarHBondContact O-N 2.9Å; Q528-H531 PolarHBondContact O-N 2.97Å; Q528-E532 PolarHBondContact NE2-OE1 3.2Å; Q528-E532 WeakPolarHBondContact O-CG 3.39Å; Q528-E532 PolarHBondContact O-N 3.37Å
529K90.6Very high85.5Confident118 Ų11893.5 Ų93.551%0.51345%0.447SS..Hα-helixtrans-63.4-36.5179.6-74.6-73.6162.4-152.40112.3L525 V526 E527 E532 W533L525-K529 WeakPolarHBondContact O-CB 3.39Å; L525-K529 WeakPolarHBondContact O-CG 3.49Å; L525-K529 PolarHBondContact O-N 2.86Å; V526-K529 PolarHBondContact O-N 2.9Å; E527-K529 PolarHBondContact O-N 2.92Å; K529-E532 IonicContact NZ-OE2 3.6Å; K529-E532 PolarHBondContact NZ-OE2 3.23Å; K529-E532 PolarHBondContact O-N 2.9Å; K529-W533 WeakPolarHBondContact O-CB 3.48Å; K529-W533 PolarHBondContact O-N 3.42Å
530F87.8Confident85Confident105 Ų10591.6 Ų91.646%0.46144%0.44SS..Hα-helixtrans-66-41.3174.3-178.4-113.1000111.8V526 E527 Q528 W533 L534V526-F530 VanDerWaalsContact O-CB 3.27Å; V526-F530 WeakPolarHBondContact O-CB 3.44Å; V526-F530 PolarHBondContact O-N 3.33Å; E527-F530 PolarHBondContact O-N 3.35Å; Q528-F530 VanDerWaalsContact C-N 3.3Å; Q528-F530 PolarHBondContact O-N 2.9Å; F530-W533 HydrophobicContact CD2-CE3 4.06Å; F530-W533 AromaticContact CE2-CE3 3.91Å; F530-W533 HydrophobicContact CE2-CE3 3.91Å; F530-W533 AromaticContact CE2-CZ3 3.91Å; F530-W533 HydrophobicContact CE2-CZ3 3.91Å; F530-W533 PolarHBondContact O-N 3.39Å; F530-L534 HydrophobicContact CD1-CD1 3.85Å; F530-L534 HydrophobicContact CD1-CG 4.33Å; F530-L534 HydrophobicContact CE1-CD1 3.41Å; F530-L534 VanDerWaalsContact CE1-CD1 3.41Å; F530-L534 HydrophobicContact CE1-CG 3.98Å; F530-L534 HydrophobicContact CE2-CD2 4.37Å; F530-L534 HydrophobicContact CE2-CG 4.22Å; F530-L534 HydrophobicContact CZ-CD1 3.79Å; F530-L534 HydrophobicContact CZ-CD2 4.03Å; F530-L534 HydrophobicContact CZ-CG 3.91Å; F530-L534 WeakPolarHBondContact O-CB 3.4Å; F530-L534 WeakPolarHBondContact O-CG 3.46Å; F530-L534 PolarHBondContact O-N 3.3Å
531H86.3Confident84Confident100 Ų10087.4 Ų87.446%0.46343%0.427SS..Hα-helixtrans-65.7-41.7175-75.787.1000112.6E527 Q528 W533 L534 L535E527-H531 PolarHBondContact O-N 3.17Å; E527-H531 PolarHBondContact O-ND1 3.42Å; Q528-H531 PolarHBondContact O-N 2.97Å; H531-W533 VanDerWaalsContact C-N 3.34Å; H531-L534 PolarHBondContact O-N 2.94Å; H531-L535 WeakPolarHBondContact O-CG 3.47Å; H531-L535 PolarHBondContact O-N 3.19Å; H531-L535 VanDerWaalsContact O-N 3.1Å
532E89.1Confident83.1Confident64 Ų6483.1 Ų83.130%0.29941%0.407SS..Hα-helixtrans-57.4-49.1172.4-73170.7-17000110.1Q528 K529 L534 L535 E536Q528-E532 PolarHBondContact NE2-OE1 3.2Å; Q528-E532 WeakPolarHBondContact O-CG 3.39Å; Q528-E532 PolarHBondContact O-N 3.37Å; K529-E532 IonicContact NZ-OE2 3.6Å; K529-E532 PolarHBondContact NZ-OE2 3.23Å; K529-E532 PolarHBondContact O-N 2.9Å; E532-L534 PolarHBondContact O-N 3.15Å; E532-L535 PolarHBondContact O-N 3.45Å; E532-E536 WeakPolarHBondContact O-CG 3.36Å; E532-E536 PolarHBondContact O-N 3.08Å
533W87.1Confident82.4Confident129 Ų12983.9 Ų83.949%0.48941%0.414SS..Hα-helixtrans-62.1-42.2177.3177.382.2000113.3K529 F530 H531 L535 E536 S537 H539K529-W533 WeakPolarHBondContact O-CB 3.48Å; K529-W533 PolarHBondContact O-N 3.42Å; F530-W533 HydrophobicContact CD2-CE3 4.06Å; F530-W533 AromaticContact CE2-CE3 3.91Å; F530-W533 HydrophobicContact CE2-CE3 3.91Å; F530-W533 AromaticContact CE2-CZ3 3.91Å; F530-W533 HydrophobicContact CE2-CZ3 3.91Å; F530-W533 PolarHBondContact O-N 3.39Å; H531-W533 VanDerWaalsContact C-N 3.34Å; W533-L535 VanDerWaalsContact C-N 3.25Å; W533-L535 PolarHBondContact O-N 3.35Å; W533-E536 PolarHBondContact O-N 3.24Å; W533-S537 VanDerWaalsContact O-CB 3.24Å; W533-S537 WeakPolarHBondContact O-CB 3.38Å; W533-S537 PolarHBondContact O-N 3.04Å; W533-S537 PolarHBondContact O-OG 2.93Å; W533-H539 AromaticContact CH2-CD2 3.47Å; W533-H539 VanDerWaalsContact CH2-CD2 3.47Å; W533-H539 WeakPolarHBondContact CH2-CD2 3.39Å; W533-H539 AromaticContact CZ2-CD2 3.81Å
534L82.8Confident81.8Confident15 Ų1582.9 Ų82.98%0.07941%0.412CS..Hα-helixtrans-61.4-33.8176.8-81.4178.8000112.6F530 H531 E532 S537 G538 H539 R540 L543F530-L534 HydrophobicContact CD1-CD1 3.85Å; F530-L534 HydrophobicContact CD1-CG 4.33Å; F530-L534 HydrophobicContact CE1-CD1 3.41Å; F530-L534 VanDerWaalsContact CE1-CD1 3.41Å; F530-L534 HydrophobicContact CE1-CG 3.98Å; F530-L534 HydrophobicContact CE2-CD2 4.37Å; F530-L534 HydrophobicContact CE2-CG 4.22Å; F530-L534 HydrophobicContact CZ-CD1 3.79Å; F530-L534 HydrophobicContact CZ-CD2 4.03Å; F530-L534 HydrophobicContact CZ-CG 3.91Å; F530-L534 WeakPolarHBondContact O-CB 3.4Å; F530-L534 WeakPolarHBondContact O-CG 3.46Å; F530-L534 PolarHBondContact O-N 3.3Å; H531-L534 PolarHBondContact O-N 2.94Å; E532-L534 PolarHBondContact O-N 3.15Å; L534-S537 PolarHBondContact O-OG 3.4Å; L534-G538 PolarHBondContact O-N 2.91Å; L534-H539 HydrophobicContact CD2-CB 3.75Å; L534-H539 PolarHBondContact O-N 3.37Å; L534-R540 HydrophobicContact CB-CB 4.26Å; L534-R540 PolarHBondContact O-N 3.23Å; L534-L543 HydrophobicContact CD1-CD1 4.08Å; L534-L543 HydrophobicContact CD2-CD1 3.72Å
535L78.3Confident80.8Confident106 Ų10681.8 Ų81.856%0.55540%0.401SS*.Hα-helixtrans-75.1-46176.7-74168.9000111.6H531 E532 W533 G538H531-L535 WeakPolarHBondContact O-CG 3.47Å; H531-L535 PolarHBondContact O-N 3.19Å; H531-L535 VanDerWaalsContact O-N 3.1Å; E532-L535 PolarHBondContact O-N 3.45Å; W533-L535 VanDerWaalsContact C-N 3.25Å; W533-L535 PolarHBondContact O-N 3.35Å; L535-G538 PolarHBondContact O-N 3.44Å
536E79.1Confident79.8Confident165 Ų16579.8 Ų79.877%0.77139%0.391SS*.Hα-helixtrans-67.3-35.5-179.6-71.3176.7178.100112.7E532 W533E532-E536 WeakPolarHBondContact O-CG 3.36Å; E532-E536 PolarHBondContact O-N 3.08Å; W533-E536 PolarHBondContact O-N 3.24Å
537S73.4Confident78.7Confident49 Ų4982 Ų8234%0.34340%0.4SS..Hα-helixtrans-83.3-17.7-179.8610000114.5W533 L534 H539W533-S537 VanDerWaalsContact O-CB 3.24Å; W533-S537 WeakPolarHBondContact O-CB 3.38Å; W533-S537 PolarHBondContact O-N 3.04Å; W533-S537 PolarHBondContact O-OG 2.93Å; L534-S537 PolarHBondContact O-OG 3.4Å; S537-H539 VanDerWaalsContact C-N 3.26Å; S537-H539 VanDerWaalsContact CB-CD2 3.45Å; S537-H539 WeakPolarHBondContact CB-CD2 3.4Å; S537-H539 PolarHBondContact O-N 3.01Å; S537-H539 PolarHBondContact OG-CD2 2.86Å; S537-H539 PolarHBondContact OG-N 2.85Å
538G68.8Low77.2Confident37 Ų3782.1 Ų82.138%0.38141%0.408SS..SBendtrans78.4-0.9-173.500000115.1L534 L535 R540 Q541L534-G538 PolarHBondContact O-N 2.91Å; L535-G538 PolarHBondContact O-N 3.44Å; G538-R540 PolarHBondContact O-N 3.37Å; G538-Q541 PolarHBondContact O-N 2.79Å
539H73.8Confident75.2Confident67 Ų6780.5 Ų80.531%0.3141%0.407SS..Hα-helixtrans-64.5-19.9178.8-74.6-59000113.9W533 L534 S537 Q541 E542 L543W533-H539 AromaticContact CH2-CD2 3.47Å; W533-H539 VanDerWaalsContact CH2-CD2 3.47Å; W533-H539 WeakPolarHBondContact CH2-CD2 3.39Å; W533-H539 AromaticContact CZ2-CD2 3.81Å; L534-H539 HydrophobicContact CD2-CB 3.75Å; L534-H539 PolarHBondContact O-N 3.37Å; S537-H539 VanDerWaalsContact C-N 3.26Å; S537-H539 VanDerWaalsContact CB-CD2 3.45Å; S537-H539 WeakPolarHBondContact CB-CD2 3.4Å; S537-H539 PolarHBondContact O-N 3.01Å; S537-H539 PolarHBondContact OG-CD2 2.86Å; S537-H539 PolarHBondContact OG-N 2.85Å; H539-Q541 PolarHBondContact O-N 3.39Å; H539-E542 IonicContact ND1-OE2 2.74Å; H539-E542 PolarHBondContact ND1-OE2 3.36Å; H539-E542 WeakPolarHBondContact O-CB 3.32Å; H539-E542 PolarHBondContact O-N 3.12Å; H539-L543 PolarHBondContact O-N 3.4Å
540R75.9Confident72.6Confident114 Ų11480.9 Ų80.943%0.4342%0.423SS..Hα-helixtrans-55-41.8173.1-176.7171-179.4161.73.1112.5L534 G538 E542 L543 D544L534-R540 HydrophobicContact CB-CB 4.26Å; L534-R540 PolarHBondContact O-N 3.23Å; G538-R540 PolarHBondContact O-N 3.37Å; R540-E542 VanDerWaalsContact C-N 3.3Å; R540-E542 PolarHBondContact O-N 3.5Å; R540-L543 PolarHBondContact O-N 2.86Å; R540-D544 WeakPolarHBondContact CG-OD2 3.45Å; R540-D544 IonicContact NE-OD2 3.21Å; R540-D544 WeakPolarHBondContact O-CB 3.49Å; R540-D544 VanDerWaalsContact O-CG 3.28Å; R540-D544 PolarHBondContact O-N 2.99Å
541Q69.4Low70.2Confident72 Ų7283.7 Ų83.734%0.33644%0.441SS..Hα-helixtrans-64.8-37-178.4-172.7-173.8-25.900111.9D338 G538 H539 S545D338-Q541 PolarHBondContact O-NE2 2.77Å; G538-Q541 PolarHBondContact O-N 2.79Å; H539-Q541 PolarHBondContact O-N 3.39Å; Q541-S545 VanDerWaalsContact O-CB 3.28Å; Q541-S545 WeakPolarHBondContact O-CB 3.29Å; Q541-S545 PolarHBondContact O-N 2.84Å; Q541-S545 VanDerWaalsContact O-N 3.11Å; Q541-S545 PolarHBondContact O-OG 3.48Å; Q541-S545 VanDerWaalsContact O-OG 3.14Å
542E71.4Confident67.5Low29 Ų2982.9 Ų82.914%0.13645%0.452CS..Hα-helixtrans-60.4-53.7174.7-166.7173.6-177.500110.1F340 Y342 H539 R540 S545 L546F340-E542 HydrophobicContact CD1-CB 4.28Å; F340-E542 HydrophobicContact CD1-CG 3.68Å; F340-E542 HydrophobicContact CD2-CB 4.26Å; F340-E542 HydrophobicContact CD2-CG 4.25Å; F340-E542 HydrophobicContact CE1-CB 3.77Å; F340-E542 HydrophobicContact CE1-CG 3.58Å; F340-E542 VanDerWaalsContact CE1-OE2 3.31Å; F340-E542 WeakPolarHBondContact CE1-OE2 3.36Å; F340-E542 HydrophobicContact CE2-CB 3.75Å; F340-E542 HydrophobicContact CE2-CG 4.17Å; F340-E542 HydrophobicContact CG-CG 4.05Å; F340-E542 HydrophobicContact CZ-CB 3.51Å; F340-E542 HydrophobicContact CZ-CG 3.86Å; Y342-E542 PolarHBondContact OH-OE1 3.01Å; H539-E542 IonicContact ND1-OE2 2.74Å; H539-E542 PolarHBondContact ND1-OE2 3.36Å; H539-E542 WeakPolarHBondContact O-CB 3.32Å; H539-E542 PolarHBondContact O-N 3.12Å; R540-E542 VanDerWaalsContact C-N 3.3Å; R540-E542 PolarHBondContact O-N 3.5Å; E542-S545 PolarHBondContact O-N 2.95Å; E542-S545 PolarHBondContact O-OG 2.89Å; E542-L546 HydrophobicContact CG-CD1 4.2Å; E542-L546 VanDerWaalsContact O-CG 3.29Å; E542-L546 WeakPolarHBondContact O-CG 3.46Å; E542-L546 PolarHBondContact O-N 3.38Å; E542-L546 VanDerWaalsContact O-N 3.1Å
543L74.6Confident64.7Low83 Ų8384.3 Ų84.344%0.43547%0.469SS..Hα-helixtrans-60.1-50.1179.7-66.5173.7000112.2L534 H539 R540 S545 L546 I547L534-L543 HydrophobicContact CD1-CD1 4.08Å; L534-L543 HydrophobicContact CD2-CD1 3.72Å; H539-L543 PolarHBondContact O-N 3.4Å; R540-L543 PolarHBondContact O-N 2.86Å; L543-S545 PolarHBondContact O-N 2.95Å; L543-L546 PolarHBondContact O-N 3.45Å; L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.88Å
544D75.3Confident62Low91 Ų9187.1 Ų87.149%0.48749%0.487SS..Hα-helixtrans-58.3-35.1-180-71.8-16.9000111.4R540R540-D544 WeakPolarHBondContact CG-OD2 3.45Å; R540-D544 IonicContact NE-OD2 3.21Å; R540-D544 WeakPolarHBondContact O-CB 3.49Å; R540-D544 VanDerWaalsContact O-CG 3.28Å; R540-D544 PolarHBondContact O-N 2.99Å
545S69Low59.3Low28 Ų2892.8 Ų92.820%0.19652%0.518CS..Hα-helixtrans-79-19.7178.6740000114.8T318 Q541 E542 L543T318-S545 WeakPolarHBondContact CB-OG 3.36Å; T318-S545 PolarHBondContact OG1-OG 3.2Å; Q541-S545 VanDerWaalsContact O-CB 3.28Å; Q541-S545 WeakPolarHBondContact O-CB 3.29Å; Q541-S545 PolarHBondContact O-N 2.84Å; Q541-S545 VanDerWaalsContact O-N 3.11Å; Q541-S545 PolarHBondContact O-OG 3.48Å; Q541-S545 VanDerWaalsContact O-OG 3.14Å; E542-S545 PolarHBondContact O-N 2.95Å; E542-S545 PolarHBondContact O-OG 2.89Å; L543-S545 PolarHBondContact O-N 2.95Å
546L71.9Confident57Low49 Ų4994 Ų9426%0.25753%0.532SS..Hα-helixtrans-85.2-18.3177.9-72.5170.3000112.4T318 P473 F474 E542 L543 P548T318-L546 HydrophobicContact CG2-CD2 3.85Å; P473-L546 HydrophobicContact CB-CD1 4.12Å; P473-L546 HydrophobicContact CG-CD1 3.9Å; P473-L546 HydrophobicContact CG-CD2 4.15Å; F474-L546 HydrophobicContact CE1-CD2 3.84Å; F474-L546 HydrophobicContact CZ-CD2 4.02Å; E542-L546 HydrophobicContact CG-CD1 4.2Å; E542-L546 VanDerWaalsContact O-CG 3.29Å; E542-L546 WeakPolarHBondContact O-CG 3.46Å; E542-L546 PolarHBondContact O-N 3.38Å; E542-L546 VanDerWaalsContact O-N 3.1Å; L543-L546 PolarHBondContact O-N 3.45Å; L546-P548 WeakPolarHBondContact O-CD 3.42Å
547I67.3Low54.7Low106 Ų10690.5 Ų90.554%0.54453%0.526SS..SBendtrans-67.5119.8176.9-63.4167.3000108.9L543L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.88Å
548P56.3Low52.5Low93 Ų9396.4 Ų96.460%0.60455%0.554SS**PPolyproline II helixtrans-60.1136.4171.3-18.831.2000109.1L546 C550L546-P548 WeakPolarHBondContact O-CD 3.42Å; P548-C550 PolarHBondContact O-N 3.46Å; P548-C550 VanDerWaalsContact O-N 3.11Å
549P50.3Low50.5Low71 Ų7199.9 Ų99.946%0.46157%0.572SS.*PPolyproline II helixtrans-55.5125.9170.122.9-30.5000107.7I551P549-I551 PolarHBondContact O-N 3.27Å
550C37.1Very low48.3Very low125 Ų125103.9 Ų103.985%0.84560%0.596SS**PPolyproline II helixtrans-48.8119.9175.8-71.70000107.7P548 A552P548-C550 PolarHBondContact O-N 3.46Å; P548-C550 VanDerWaalsContact O-N 3.11Å; C550-A552 PolarHBondContact O-N 3.01Å
551I36.6Very low45.9Very low165 Ų165103.9 Ų103.985%0.84661%0.613SS**  trans-59.7101.8165.1-60.6171.5000103.6P549 S553P549-I551 PolarHBondContact O-N 3.27Å; I551-S553 VanDerWaalsContact C-N 3.35Å; I551-S553 PolarHBondContact O-N 2.81Å
552A31Very low43.9Very low83 Ų83108.1 Ų108.169%0.68664%0.637SS**  trans-54.7110.7167.400000105C550 Q554C550-A552 PolarHBondContact O-N 3.01Å; A552-Q554 PolarHBondContact O-N 2.86Å
553S29.8Very low41.7Very low94 Ų94115.9 Ų115.966%0.65767%0.673SS**  trans-47.2113.1167.544.20000106.6I551 D555I551-S553 VanDerWaalsContact C-N 3.35Å; I551-S553 PolarHBondContact O-N 2.81Å; S553-D555 VanDerWaalsContact C-N 3.33Å; S553-D555 PolarHBondContact O-N 3Å
554Q29.6Very low39.3Very low188 Ų188116.2 Ų116.288%0.87969%0.688SS**  trans-59.5107.3161.6-75.8-179.3-32.900105.6A552A552-Q554 PolarHBondContact O-N 2.86Å
555D26.5Very low36.9Very low133 Ų133123.8 Ų123.871%0.71171%0.71SS**  trans-55.3127.2166-80.5-37.9000108.1S553 S557S553-D555 VanDerWaalsContact C-N 3.33Å; S553-D555 PolarHBondContact O-N 3Å; D555-S557 VanDerWaalsContact C-N 3.25Å; D555-S557 PolarHBondContact O-N 2.91Å
556P31Very low34.8Very low133 Ų133128 Ų12886%0.86473%0.734SS**  trans-83.278.7172.934.1-29.9000107.7
557S29.5Very low32.5Very low91 Ų91132.4 Ų132.464%0.63676%0.758SS**  trans-128.379163.766.40000108.6D555D555-S557 VanDerWaalsContact C-N 3.25Å; D555-S557 PolarHBondContact O-N 2.91Å
558D27.2Very low30.5Very low173 Ų173134.9 Ų134.993%0.92577%0.772SS**  trans-163.1106.3136.7-90.8-24000107.6
559S26.6Very low29Very low109 Ų109135.8 Ų135.876%0.76278%0.776SS**  trans-95.7143.917142.40000109.2
560D27.1Very low27.8Very low152 Ų152144.5 Ų144.581%0.81380%0.8SS**  trans75.2102.9157.5-69.4-16000120.4
561S26.6Very low27.2Very low114 Ų114147.2 Ų147.280%0.79780%0.8SS**  -156.3115.1115.124.20000112.4
562L27Very low26.6Very low161 Ų161148.9 Ų148.984%0.84380%0.804SS**  trans8.7127.5152.4-68.9100000119.5
563E26.1Very low26.2Very low192 Ų192148.3 Ų148.390%0.89781%0.807SS**  -173.9145.492.5-96.9-169.3169.700112.5
564A23.9Very low26Very low89 Ų89150.5 Ų150.574%0.73682%0.817SS**  trans-74.5150.4-170.900000114.1
565R25.1Very low25.8Very low251 Ų251146.6 Ų146.695%0.94781%0.81SS**  trans-157.6130.7133-105.4164.5-161.3-154.75.2111.3
566T24.5Very low25.7Very low115 Ų115148 Ų14871%0.70682%0.816SS**  trans-80.1154.9-168.6390000114.8
567N24.1Very low25.4Very low143 Ų143152.5 Ų152.577%0.76582%0.815SS**  trans72.6118.4153-58.9-7000117.4
568D24.5Very low25.2Very low157 Ų157157.4 Ų157.484%0.8483%0.828SS**  -162.115075.6-144.3-11.9000112.3
569T24.4Very low25.2Very low112 Ų112155.9 Ų155.969%0.68783%0.825SS**  trans-99.5134.6-172.2-17.70000108.4
570R25.7Very low25.1Very low254 Ų254153.5 Ų153.596%0.95882%0.818SS**  trans-156.6115.7143.7-109.8167.7-163-158.93.1111
571Q23.9Very low25Very low182 Ų182155.6 Ų155.685%0.8582%0.823SS**  trans-72.5142.2173.5-71.1170.6-32.300111.1
572E24.7Very low25Very low200 Ų200156.7 Ų156.794%0.93583%0.825SS**  trans-164.7116.1144.7-101.1170.5-160.300103.3
573G22.6Very low24.8Very low71 Ų71157.8 Ų157.873%0.73283%0.825SS**  cis113.867.722.700000109.1
574T25.8Very low24.7Very low141 Ų141156.6 Ų156.687%0.86582%0.824SS**  trans-159.499.5162.5-5.10000114
575S24.5Very low25.2Very low105 Ų105158 Ų15873%0.73483%0.826SS**  trans26.8101.1137.81770000119.3
576I25.1Very low25.4Very low163 Ų163155.9 Ų155.984%0.83685%0.847SS**PPolyproline II helixtrans-76.7119.4156-63.3171.1000108
577R25.1Very low25.4Very low228 Ų228157.9 Ų157.986%0.8685%0.854SS**PPolyproline II helixtrans-95.2120.3161.8-101.5-177171-176.9-2.7108.1V579R577-V579 PolarHBondContact O-N 3.09Å
578E24.7Very low25.5Very low193 Ų193158.7 Ų158.790%0.90286%0.859SS**PPolyproline II helixtrans-56.7126.9170.1-67.5173.4143.100110.2
579V27Very low25.5Very low141 Ų141158.8 Ų158.886%0.85586%0.86SS**  trans-109.4121165.61760000107.2R577R577-V579 PolarHBondContact O-N 3.09Å
580G24.1Very low25.6Very low60 Ų60161.5 Ų161.562%0.61987%0.87SS**  trans-62.5156.4-175.100000114.2T582G580-T582 PolarHBondContact O-N 3.11Å
581Q26Very low25.6Very low195 Ų195155.8 Ų155.891%0.91186%0.864SS**  trans-48126.2169.1-67.6167.1-25.900111.5
582T25.5Very low25.7Very low138 Ų138154 Ų15485%0.84787%0.865SS**  trans-133.3137.8158.242.20000110.5G580G580-T582 PolarHBondContact O-N 3.11Å
583H24.1Very low25.8Very low184 Ų184150.7 Ų150.785%0.85286%0.86SS**PPolyproline II helixtrans-66.8144.2-168.5-76.8-107.3000113.4
584L24Very low26Very low166 Ų166156.8 Ų156.887%0.86987%0.87SS**PPolyproline II helixtrans-63.1141.2162.1-76.2148000110.7
585P33.7Very low26Very low120 Ų120158.2 Ų158.278%0.77987%0.871SS**PPolyproline II helixtrans-99.3142.2156.125.2-9.7000111.5
586C28.5Very low26.2Very low205 Ų205163 Ų163100%1.38588%0.883SS**  trans-66.20170.8-63.20000113.3

Retrieved 586 of 586 residues in 1346.8 ms (Link to these results)

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