A0A077YWN9_TRITR Loading...

Glutaredoxin and Thioredoxin domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077YWN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 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
1M87.1Confident94.7Very high103 Ų10360 Ų6051%0.50727%0.27SS..  0145.70175.2171.874.600108.7V30 L57M1-V30 CarbonylContact C-O 3.52Å; M1-V30 VanDerWaalsContact CA-O 3.28Å; M1-V30 WeakPolarHBondContact CA-O 3.35Å; M1-V30 HydrophobicContact CG-CG1 4.15Å; M1-V30 HydrophobicContact SD-CG1 4.4Å; M1-L57 HydrophobicContact CB-CB 4.43Å; M1-L57 HydrophobicContact CE-CB 4.43Å; M1-L57 HydrophobicContact CE-CD1 3.43Å; M1-L57 VanDerWaalsContact CE-CD1 3.43Å; M1-L57 PolarHBondContact N-O 3.47Å; M1-L57 PolarHBondContact O-N 2.89Å
2V93.1Very high94.9Very high1 Ų162 Ų621%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-120.8126.3173-174.30000109.7M20 Y29 V30 M31 S32 V54 V55 F56 L78V2-M20 HydrophobicContact CB-CE 4.01Å; V2-M20 HydrophobicContact CG1-CE 3.47Å; V2-M20 VanDerWaalsContact CG1-CE 3.47Å; V2-Y29 HydrophobicContact CG2-CD1 3.86Å; V2-Y29 HydrophobicContact CG2-CE1 3.38Å; V2-V30 PolarHBondContact N-O 2.92Å; V2-M31 WeakPolarHBondContact O-CA 3.44Å; V2-S32 PolarHBondContact O-N 2.77Å; V2-V54 HydrophobicContact CG1-CG1 3.24Å; V2-V55 WeakPolarHBondContact CA-O 3.46Å; V2-F56 HydrophobicContact CG1-CD1 4.32Å; V2-F56 HydrophobicContact CG1-CE1 4.23Å; V2-F56 HydrophobicContact CG1-CZ 4.44Å; V2-F56 HydrophobicContact CG2-CD1 3.59Å; V2-F56 HydrophobicContact CG2-CE1 3.83Å; V2-F56 HydrophobicContact CG2-CG 4.39Å; V2-L78 HydrophobicContact CG2-CD2 4.36Å
3L95.7Very high95Very high14 Ų1457.4 Ų57.47%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-107.8115.6-179.2-176.759.6000109.7F5 S32 A34 L42 F46 V54 V55 L57L3-F5 HydrophobicContact CB-CE2 4.49Å; L3-F5 HydrophobicContact CD2-CE1 4.3Å; L3-F5 HydrophobicContact CD2-CE2 3.53Å; L3-F5 HydrophobicContact CD2-CZ 3.4Å; L3-F5 HydrophobicContact CG-CD2 4.29Å; L3-F5 HydrophobicContact CG-CE2 3.74Å; L3-F5 HydrophobicContact CG-CZ 3.99Å; L3-S32 CarbonylContact C-O 3.45Å; L3-S32 WeakPolarHBondContact CA-O 3.4Å; L3-A34 HydrophobicContact CD1-CB 4.05Å; L3-L42 HydrophobicContact CD2-CD2 4.28Å; L3-F46 HydrophobicContact CD2-CD2 4.3Å; L3-F46 HydrophobicContact CD2-CE2 3.9Å; L3-F46 HydrophobicContact CD2-CZ 4.22Å; L3-V54 WeakPolarHBondContact O-CA 3.42Å; L3-V55 PolarHBondContact N-O 3.27Å; L3-V55 PolarHBondContact O-N 3.4Å; L3-L57 HydrophobicContact CB-CD1 4.29Å
4L97.4Very high95Very high3 Ų355.8 Ų55.82%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-92.1116.3171.4170.160.3000109.4A6 V16 E17 M20 S32 K33 A34 P52 V54L4-A6 HydrophobicContact CD1-CB 4.4Å; L4-A6 HydrophobicContact CD2-CB 4.19Å; L4-A6 HydrophobicContact CG-CB 3.95Å; L4-V16 HydrophobicContact CD1-CB 4.48Å; L4-V16 HydrophobicContact CD1-CG1 3.69Å; L4-V16 HydrophobicContact CD2-CG1 4.22Å; L4-E17 HydrophobicContact CD2-CB 3.67Å; L4-E17 HydrophobicContact CD2-CG 4.35Å; L4-M20 HydrophobicContact CB-CE 4.16Å; L4-M20 HydrophobicContact CB-SD 3.96Å; L4-M20 HydrophobicContact CD2-SD 4.23Å; L4-M20 HydrophobicContact CG-SD 4.49Å; L4-S32 PolarHBondContact N-O 3.06Å; L4-K33 CarbonylContact O-C 3.54Å; L4-K33 WeakPolarHBondContact O-CA 3.46Å; L4-A34 PolarHBondContact O-N 3.11Å; L4-P52 HydrophobicContact CD1-CB 3.92Å; L4-V54 HydrophobicContact CD1-CG2 3.87Å
5F98.2Very high94.9Very high1 Ų156.1 Ų56.10%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-83.9113.9162.5-65.8-89.5000108.5L3 A34 L42 L43 F46 V48 I51 P52 T53 V55L3-F5 HydrophobicContact CB-CE2 4.49Å; L3-F5 HydrophobicContact CD2-CE1 4.3Å; L3-F5 HydrophobicContact CD2-CE2 3.53Å; L3-F5 HydrophobicContact CD2-CZ 3.4Å; L3-F5 HydrophobicContact CG-CD2 4.29Å; L3-F5 HydrophobicContact CG-CE2 3.74Å; L3-F5 HydrophobicContact CG-CZ 3.99Å; F5-A34 WeakPolarHBondContact CA-O 3.34Å; F5-A34 HydrophobicContact CD1-CB 3.76Å; F5-A34 HydrophobicContact CE1-CB 3.89Å; F5-A34 HydrophobicContact CG-CB 4.44Å; F5-L42 HydrophobicContact CE1-CB 4.23Å; F5-L42 HydrophobicContact CE1-CD2 3.92Å; F5-L42 HydrophobicContact CE1-CG 3.74Å; F5-L42 HydrophobicContact CZ-CD2 4.29Å; F5-L42 HydrophobicContact CZ-CG 4.01Å; F5-L43 HydrophobicContact CB-CD2 4.31Å; F5-L43 HydrophobicContact CD1-CD2 3.55Å; F5-L43 HydrophobicContact CD1-CG 4.36Å; F5-L43 HydrophobicContact CE1-CD2 4.22Å; F5-L43 HydrophobicContact CG-CD2 4.21Å; F5-F46 HydrophobicContact CE1-CD2 4.44Å; F5-F46 HydrophobicContact CE2-CB 3.99Å; F5-F46 HydrophobicContact CE2-CD2 4.23Å; F5-F46 HydrophobicContact CE2-CG 4.07Å; F5-F46 HydrophobicContact CZ-CB 3.73Å; F5-F46 AromaticContact CZ-CD2 3.49Å; F5-F46 HydrophobicContact CZ-CD2 3.49Å; F5-F46 VanDerWaalsContact CZ-CD2 3.49Å; F5-F46 HydrophobicContact CZ-CE2 4.26Å; F5-F46 AromaticContact CZ-CG 3.73Å; F5-F46 HydrophobicContact CZ-CG 3.73Å; F5-V48 HydrophobicContact CB-CG1 4.11Å; F5-V48 HydrophobicContact CD1-CG2 4.12Å; F5-V48 HydrophobicContact CD2-CG2 3.69Å; F5-V48 HydrophobicContact CE1-CG2 4.19Å; F5-V48 HydrophobicContact CE2-CG2 3.79Å; F5-V48 HydrophobicContact CG-CG1 4.24Å; F5-V48 HydrophobicContact CG-CG2 3.85Å; F5-V48 HydrophobicContact CZ-CG2 4.04Å; F5-I51 HydrophobicContact CB-CD1 3.73Å; F5-P52 VanDerWaalsContact O-CA 3.29Å; F5-P52 WeakPolarHBondContact O-CA 3.3Å; F5-T53 PolarHBondContact N-O 3.39Å; F5-T53 PolarHBondContact O-N 3.27Å; F5-V55 HydrophobicContact CD2-CG2 4.11Å; F5-V55 HydrophobicContact CE2-CB 4.44Å; F5-V55 HydrophobicContact CE2-CG2 3.76Å
6A97.7Very high95Very high7 Ų752.8 Ų52.86%0.05826%0.258CS..EExtended strand (participates in β ladder)trans-129.8157.6-174.400000110.1L4 K33 A34 D35 A36L4-A6 HydrophobicContact CD1-CB 4.4Å; L4-A6 HydrophobicContact CD2-CB 4.19Å; L4-A6 HydrophobicContact CG-CB 3.95Å; A6-K33 HydrophobicContact CB-CD 3.96Å; A6-K33 HydrophobicContact CB-CG 4.01Å; A6-A34 PolarHBondContact N-O 3.24Å; A6-D35 WeakPolarHBondContact O-CA 3.23Å; A6-A36 WeakPolarHBondContact O-CB 3.48Å; A6-A36 PolarHBondContact O-N 2.96Å
7A96.3Very high95Very high6 Ų652.6 Ų52.65%0.0526%0.257CS..  trans-136.415017000000110.5W9 S10 S13 A36 I51A7-W9 HydrophobicContact CB-CD2 3.75Å; A7-W9 HydrophobicContact CB-CE3 4.47Å; A7-W9 HydrophobicContact CB-CG 4.06Å; A7-W9 HydrophobicContact CB-CH2 4.33Å; A7-W9 HydrophobicContact CB-CZ2 3.57Å; A7-W9 PolarHBondContact O-N 3.26Å; A7-S10 PolarHBondContact O-N 3.22Å; A7-S10 VanDerWaalsContact O-N 3.11Å; A7-S13 PolarHBondContact N-OG 3.01Å; A7-A36 HydrophobicContact CB-CB 4.15Å; A7-I51 HydrophobicContact CB-CG2 3.85Å
8K94Very high94.8Very high184 Ų18455.3 Ų55.380%0.827%0.269SS*.THydrogen-bonded Turntrans-64.7-26-177.2-65.7179.1-174.6171.10112.8S10K8-S10 VanDerWaalsContact C-N 3.3Å
9W93.6Very high94.5Very high166 Ų16653.1 Ų53.163%0.62926%0.259SS*.THydrogen-bonded Turntrans-80.4-6.6178.551.6-104.8000113.7A7 D37 I51A7-W9 HydrophobicContact CB-CD2 3.75Å; A7-W9 HydrophobicContact CB-CE3 4.47Å; A7-W9 HydrophobicContact CB-CG 4.06Å; A7-W9 HydrophobicContact CB-CH2 4.33Å; A7-W9 HydrophobicContact CB-CZ2 3.57Å; A7-W9 PolarHBondContact O-N 3.26Å; W9-D37 PolarHBondContact NE1-OD1 2.84Å; W9-D37 PolarHBondContact NE1-OD2 2.92Å; W9-I51 HydrophobicContact CH2-CB 3.73Å; W9-I51 HydrophobicContact CH2-CG1 4.16Å; W9-I51 HydrophobicContact CH2-CG2 4.13Å; W9-I51 HydrophobicContact CZ2-CB 4.24Å; W9-I51 HydrophobicContact CZ2-CG1 4.24Å; W9-I51 HydrophobicContact CZ2-CG2 4.48Å; W9-I51 HydrophobicContact CZ3-CB 4.46Å
10S94.5Very high94.3Very high6 Ų650.8 Ų50.84%0.04225%0.248CC..  trans-105.4111.6178165.10000110.7A7 K8 E12 S13A7-S10 PolarHBondContact O-N 3.22Å; A7-S10 VanDerWaalsContact O-N 3.11Å; K8-S10 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.17Å; S10-E12 PolarHBondContact OG-OE2 3.19Å; S10-S13 VanDerWaalsContact CB-OG 3.28Å; S10-S13 WeakPolarHBondContact CB-OG 3.42Å; S10-S13 VanDerWaalsContact O-CB 3.28Å; S10-S13 WeakPolarHBondContact O-CB 3.39Å; S10-S13 PolarHBondContact O-N 3.39Å; S10-S13 VanDerWaalsContact O-N 3.15Å; S10-S13 PolarHBondContact OG-N 3.35Å; S10-S13 VanDerWaalsContact OG-N 3.07Å; S10-S13 PolarHBondContact OG-OG 3.01Å
11E94.4Very high94Very high169 Ų16952 Ų5279%0.7926%0.255SS*.Hα-helixtrans-62.5-33.4173.5-64.9-173.8172.900111.5S13 G14 T15E11-S13 VanDerWaalsContact C-N 3.26Å; E11-S13 PolarHBondContact O-N 2.84Å; E11-G14 PolarHBondContact O-N 3.3Å; E11-G14 VanDerWaalsContact O-N 3.15Å; E11-T15 PolarHBondContact O-N 3.01Å; E11-T15 VanDerWaalsContact O-N 3.1Å; E11-T15 PolarHBondContact O-OG1 2.99Å
12E96.4Very high93.8Very high84 Ų8454.3 Ų54.339%0.39326%0.258SS..Hα-helixtrans-61.8-36.1175.9-55.584177.200111.4S10 G14 T15 V16 P52 F69S10-E12 PolarHBondContact O-N 3.17Å; S10-E12 PolarHBondContact OG-OE2 3.19Å; E12-G14 VanDerWaalsContact C-N 3.32Å; E12-G14 PolarHBondContact O-N 3.35Å; E12-T15 PolarHBondContact O-N 2.94Å; E12-V16 WeakPolarHBondContact O-CB 3.2Å; E12-V16 WeakPolarHBondContact O-CG2 3.5Å; E12-V16 PolarHBondContact O-N 3.28Å; E12-P52 HydrophobicContact CB-CG 4.08Å; E12-F69 HydrophobicContact CB-CB 3.85Å; E12-F69 HydrophobicContact CB-CD2 3.75Å; E12-F69 HydrophobicContact CB-CE2 4.48Å; E12-F69 HydrophobicContact CB-CG 3.84Å; E12-F69 HydrophobicContact CG-CB 3.81Å; E12-F69 HydrophobicContact CG-CD1 4.19Å; E12-F69 HydrophobicContact CG-CD2 4.18Å; E12-F69 HydrophobicContact CG-CG 3.8Å
13S96.3Very high93.3Very high2 Ų254.8 Ų54.81%0.01426%0.26CS..Hα-helixtrans-59.8-43.2174.9-64.50000111.7A7 S10 E11 V16 E17 I51A7-S13 PolarHBondContact N-OG 3.01Å; S10-S13 VanDerWaalsContact CB-OG 3.28Å; S10-S13 WeakPolarHBondContact CB-OG 3.42Å; S10-S13 VanDerWaalsContact O-CB 3.28Å; S10-S13 WeakPolarHBondContact O-CB 3.39Å; S10-S13 PolarHBondContact O-N 3.39Å; S10-S13 VanDerWaalsContact O-N 3.15Å; S10-S13 PolarHBondContact OG-N 3.35Å; S10-S13 VanDerWaalsContact OG-N 3.07Å; S10-S13 PolarHBondContact OG-OG 3.01Å; E11-S13 VanDerWaalsContact C-N 3.26Å; E11-S13 PolarHBondContact O-N 2.84Å; S13-V16 PolarHBondContact O-N 2.99Å; S13-E17 VanDerWaalsContact O-CB 3.29Å; S13-E17 WeakPolarHBondContact O-CB 3.44Å; S13-E17 PolarHBondContact O-N 2.86Å; S13-I51 VanDerWaalsContact OG-CG2 3.23Å; S13-I51 WeakPolarHBondContact OG-CG2 3.3Å
14G95Very high92.4Very high35 Ų3555 Ų5536%0.36126%0.264SS..Hα-helixtrans-63.8-40.6175.800000112.3E11 E12 E17 Q18E11-G14 PolarHBondContact O-N 3.3Å; E11-G14 VanDerWaalsContact O-N 3.15Å; E12-G14 VanDerWaalsContact C-N 3.32Å; E12-G14 PolarHBondContact O-N 3.35Å; G14-E17 PolarHBondContact O-N 2.89Å; G14-Q18 WeakPolarHBondContact O-CB 3.2Å; G14-Q18 WeakPolarHBondContact O-CG 2.87Å; G14-Q18 PolarHBondContact O-N 2.77Å
15T94.3Very high91Very high61 Ų6159.4 Ų59.437%0.37430%0.295SS..Hα-helixtrans-66-46.2177.7-58.90000111.8E11 E12 Q18 C19 F69 V71E11-T15 PolarHBondContact O-N 3.01Å; E11-T15 VanDerWaalsContact O-N 3.1Å; E11-T15 PolarHBondContact O-OG1 2.99Å; E12-T15 PolarHBondContact O-N 2.94Å; T15-Q18 PolarHBondContact O-N 2.86Å; T15-C19 PolarHBondContact O-N 2.83Å; T15-C19 PolarHBondContact O-SG 3.42Å; T15-C19 VanDerWaalsContact O-SG 3.41Å; T15-F69 HydrophobicContact CG2-CE2 3.66Å; T15-F69 HydrophobicContact CG2-CZ 3.86Å; T15-V71 HydrophobicContact CG2-CG2 4.46Å
16V95.6Very high89.2Confident2 Ų266.5 Ų66.51%0.01232%0.322CS..Hα-helixtrans-61.4-45.2176.4168.90000110.8L4 E12 S13 Q18 C19 M20 P52 V54 F69 L74L4-V16 HydrophobicContact CD1-CB 4.48Å; L4-V16 HydrophobicContact CD1-CG1 3.69Å; L4-V16 HydrophobicContact CD2-CG1 4.22Å; E12-V16 WeakPolarHBondContact O-CB 3.2Å; E12-V16 WeakPolarHBondContact O-CG2 3.5Å; E12-V16 PolarHBondContact O-N 3.28Å; S13-V16 PolarHBondContact O-N 2.99Å; V16-Q18 VanDerWaalsContact C-N 3.34Å; V16-Q18 PolarHBondContact O-N 2.94Å; V16-C19 PolarHBondContact O-N 3.45Å; V16-M20 HydrophobicContact CG1-CG 4.42Å; V16-M20 HydrophobicContact CG1-SD 3.95Å; V16-M20 WeakPolarHBondContact O-CB 3.41Å; V16-M20 WeakPolarHBondContact O-CG 3.26Å; V16-M20 PolarHBondContact O-N 2.95Å; V16-P52 HydrophobicContact CG2-CB 4.43Å; V16-P52 HydrophobicContact CG2-CG 3.92Å; V16-V54 HydrophobicContact CG1-CG2 3.74Å; V16-F69 HydrophobicContact CG2-CD2 3.8Å; V16-F69 HydrophobicContact CG2-CE2 4.2Å; V16-L74 HydrophobicContact CB-CD2 4.37Å; V16-L74 HydrophobicContact CG1-CD2 3.85Å; V16-L74 HydrophobicContact CG2-CD2 4.37Å
17E94.6Very high87.4Confident51 Ų5168.6 Ų68.624%0.23833%0.332CS..Hα-helixtrans-57-46.8175.5-179.3171-162.700111.2L4 S13 G14 C19 M20 I21 K33L4-E17 HydrophobicContact CD2-CB 3.67Å; L4-E17 HydrophobicContact CD2-CG 4.35Å; S13-E17 VanDerWaalsContact O-CB 3.29Å; S13-E17 WeakPolarHBondContact O-CB 3.44Å; S13-E17 PolarHBondContact O-N 2.86Å; G14-E17 PolarHBondContact O-N 2.89Å; E17-C19 PolarHBondContact O-N 2.94Å; E17-M20 WeakPolarHBondContact O-CB 3.36Å; E17-M20 PolarHBondContact O-N 3.09Å; E17-I21 HydrophobicContact CG-CD1 3.73Å; E17-I21 HydrophobicContact CG-CG1 4.39Å; E17-I21 WeakPolarHBondContact O-CB 3.44Å; E17-I21 VanDerWaalsContact O-CG1 3.29Å; E17-I21 WeakPolarHBondContact O-CG1 3.34Å; E17-I21 PolarHBondContact O-N 2.71Å; E17-K33 WeakPolarHBondContact OE1-CD 3.39Å; E17-K33 WeakPolarHBondContact OE1-CE 3.29Å; E17-K33 IonicContact OE1-NZ 3.91Å; E17-K33 PolarHBondContact OE1-NZ 3.37Å; E17-K33 WeakPolarHBondContact OE2-CD 3.38Å; E17-K33 IonicContact OE2-NZ 3.9Å; E17-K33 PolarHBondContact OE2-NZ 2.74Å
18Q91.4Very high85.7Confident100 Ų10078.7 Ų78.747%0.46737%0.369SS..Hα-helixtrans-67-34.5178.4-73.2-62.5-28.300113.4G14 T15 V16 R22G14-Q18 WeakPolarHBondContact O-CB 3.2Å; G14-Q18 WeakPolarHBondContact O-CG 2.87Å; G14-Q18 PolarHBondContact O-N 2.77Å; T15-Q18 PolarHBondContact O-N 2.86Å; V16-Q18 VanDerWaalsContact C-N 3.34Å; V16-Q18 PolarHBondContact O-N 2.94Å; Q18-R22 WeakPolarHBondContact O-CB 3.49Å; Q18-R22 VanDerWaalsContact O-CG 3.29Å; Q18-R22 WeakPolarHBondContact O-CG 3.28Å; Q18-R22 PolarHBondContact O-N 3.42Å; Q18-R22 VanDerWaalsContact O-N 3.1Å; Q18-R22 PolarHBondContact O-NE 2.98Å; Q18-R22 VanDerWaalsContact O-NE 3.11Å
19C89.9Confident84.6Confident14 Ų1471.6 Ų71.610%0.09534%0.337CS..Hα-helixtrans-64.3-46.4172-75.60000111T15 V16 E17 R22 F23 L74T15-C19 PolarHBondContact O-N 2.83Å; T15-C19 PolarHBondContact O-SG 3.42Å; T15-C19 VanDerWaalsContact O-SG 3.41Å; V16-C19 PolarHBondContact O-N 3.45Å; E17-C19 PolarHBondContact O-N 2.94Å; C19-R22 PolarHBondContact O-N 3.27Å; C19-F23 PolarHBondContact O-N 2.99Å; C19-L74 HydrophobicContact CB-CD2 3.85Å
20M90.4Very high83.9Confident6 Ų668 Ų683%0.0333%0.334CS..Hα-helixtrans-61-48.8177.2-79.5-177.265.900111.9V2 L4 V16 E17 R22 F23 A24 M31 V54 L74 L78V2-M20 HydrophobicContact CB-CE 4.01Å; V2-M20 HydrophobicContact CG1-CE 3.47Å; V2-M20 VanDerWaalsContact CG1-CE 3.47Å; L4-M20 HydrophobicContact CB-CE 4.16Å; L4-M20 HydrophobicContact CB-SD 3.96Å; L4-M20 HydrophobicContact CD2-SD 4.23Å; L4-M20 HydrophobicContact CG-SD 4.49Å; V16-M20 HydrophobicContact CG1-CG 4.42Å; V16-M20 HydrophobicContact CG1-SD 3.95Å; V16-M20 WeakPolarHBondContact O-CB 3.41Å; V16-M20 WeakPolarHBondContact O-CG 3.26Å; V16-M20 PolarHBondContact O-N 2.95Å; E17-M20 WeakPolarHBondContact O-CB 3.36Å; E17-M20 PolarHBondContact O-N 3.09Å; M20-R22 VanDerWaalsContact C-N 3.35Å; M20-R22 PolarHBondContact O-N 3.35Å; M20-F23 WeakPolarHBondContact O-CB 3.33Å; M20-F23 PolarHBondContact O-N 3.04Å; M20-F23 VanDerWaalsContact O-N 3.11Å; M20-A24 PolarHBondContact O-N 2.75Å; M20-M31 HydrophobicContact CB-CE 3.99Å; M20-M31 HydrophobicContact CB-SD 3.55Å; M20-M31 VanDerWaalsContact CB-SD 3.55Å; M20-M31 HydrophobicContact CE-CB 4.28Å; M20-M31 HydrophobicContact CE-CE 4.24Å; M20-M31 HydrophobicContact CE-CG 4Å; M20-M31 HydrophobicContact CE-SD 3.78Å; M20-M31 HydrophobicContact CG-CE 4.32Å; M20-M31 HydrophobicContact CG-SD 4.31Å; M20-M31 VanDerWaalsContact O-CE 3.24Å; M20-M31 WeakPolarHBondContact O-CE 3.35Å; M20-V54 HydrophobicContact CE-CG1 4.46Å; M20-V54 HydrophobicContact SD-CG1 4.21Å; M20-V54 HydrophobicContact SD-CG2 4.05Å; M20-L74 HydrophobicContact CG-CD1 4.13Å; M20-L74 HydrophobicContact CG-CD2 4.28Å; M20-L74 HydrophobicContact SD-CD1 4.42Å; M20-L78 HydrophobicContact CG-CD1 4.23Å
21I88.1Confident83.6Confident78 Ų7869.9 Ų69.940%0.434%0.342SS..Hα-helixtrans-59.3-44.6177.2-70.1167.7000111.3E17 F23 A24 S25E17-I21 HydrophobicContact CG-CD1 3.73Å; E17-I21 HydrophobicContact CG-CG1 4.39Å; E17-I21 WeakPolarHBondContact O-CB 3.44Å; E17-I21 VanDerWaalsContact O-CG1 3.29Å; E17-I21 WeakPolarHBondContact O-CG1 3.34Å; E17-I21 PolarHBondContact O-N 2.71Å; I21-F23 PolarHBondContact O-N 2.7Å; I21-A24 PolarHBondContact O-N 2.94Å; I21-S25 WeakPolarHBondContact O-CB 3.46Å; I21-S25 PolarHBondContact O-N 2.79Å; I21-S25 PolarHBondContact O-OG 2.83Å
22R83.5Confident83.4Confident150 Ų15064.2 Ų64.257%0.56632%0.321SS*.Hα-helixtrans-65-28177.7-78.2-176.7-77.7172.2-6.7113.3Q18 C19 M20 S25Q18-R22 WeakPolarHBondContact O-CB 3.49Å; Q18-R22 VanDerWaalsContact O-CG 3.29Å; Q18-R22 WeakPolarHBondContact O-CG 3.28Å; Q18-R22 PolarHBondContact O-N 3.42Å; Q18-R22 VanDerWaalsContact O-N 3.1Å; Q18-R22 PolarHBondContact O-NE 2.98Å; Q18-R22 VanDerWaalsContact O-NE 3.11Å; C19-R22 PolarHBondContact O-N 3.27Å; M20-R22 VanDerWaalsContact C-N 3.35Å; M20-R22 PolarHBondContact O-N 3.35Å; R22-S25 PolarHBondContact O-OG 2.84Å
23F81.9Confident83.4Confident11 Ų1165.6 Ų65.65%0.04833%0.326CS..Hα-helixtrans-75-50.4172.6-175.8-90.5000110.8C19 M20 I21 S25 R26 Y29 M31 M75 L78 K79 A82 F89C19-F23 PolarHBondContact O-N 2.99Å; M20-F23 WeakPolarHBondContact O-CB 3.33Å; M20-F23 PolarHBondContact O-N 3.04Å; M20-F23 VanDerWaalsContact O-N 3.11Å; I21-F23 PolarHBondContact O-N 2.7Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 2.76Å; F23-R26 PolarHBondContact O-N 3.01Å; F23-Y29 HydrophobicContact CE1-CD2 4.35Å; F23-Y29 HydrophobicContact CE1-CE2 4.47Å; F23-Y29 HydrophobicContact CE1-CG 4.45Å; F23-M31 HydrophobicContact CB-CE 4.48Å; F23-M31 HydrophobicContact CD1-CE 3.98Å; F23-M75 HydrophobicContact CD2-CE 3.84Å; F23-L78 HydrophobicContact CB-CD1 4.11Å; F23-L78 HydrophobicContact CD1-CB 4.01Å; F23-L78 HydrophobicContact CD1-CD1 4.23Å; F23-L78 HydrophobicContact CD1-CD2 4.15Å; F23-L78 HydrophobicContact CD1-CG 4.37Å; F23-L78 HydrophobicContact CD2-CB 4.13Å; F23-L78 HydrophobicContact CD2-CD1 4.43Å; F23-L78 HydrophobicContact CE1-CB 3.83Å; F23-L78 HydrophobicContact CE1-CD2 4.37Å; F23-L78 HydrophobicContact CE2-CB 3.95Å; F23-L78 HydrophobicContact CG-CB 4.15Å; F23-L78 HydrophobicContact CG-CD1 4Å; F23-L78 HydrophobicContact CZ-CB 3.79Å; F23-L78 WeakPolarHBondContact CZ-O 3.43Å; F23-K79 HydrophobicContact CE2-CG 3.78Å; F23-K79 HydrophobicContact CZ-CG 4.41Å; F23-A82 HydrophobicContact CE1-CB 4.15Å; F23-A82 HydrophobicContact CZ-CB 3.88Å; F23-F89 HydrophobicContact CE1-CE2 4.4Å; F23-F89 HydrophobicContact CE2-CE2 4.32Å; F23-F89 AromaticContact CE2-CZ 3.9Å; F23-F89 HydrophobicContact CE2-CZ 3.9Å; F23-F89 AromaticContact CZ-CE2 3.74Å; F23-F89 HydrophobicContact CZ-CE2 3.74Å; F23-F89 AromaticContact CZ-CZ 3.53Å; F23-F89 HydrophobicContact CZ-CZ 3.53Å
24A77.8Confident83.3Confident20 Ų2065.8 Ų65.817%0.16533%0.327CS..Hα-helixtrans-68.2-26.2-178.700000114.2M20 I21 R26 D27 M31M20-A24 PolarHBondContact O-N 2.75Å; I21-A24 PolarHBondContact O-N 2.94Å; A24-R26 PolarHBondContact O-N 3.18Å; A24-D27 CarbonylContact O-C 3.59Å; A24-D27 PolarHBondContact O-N 2.84Å; A24-M31 HydrophobicContact CB-CE 3.77Å; A24-M31 HydrophobicContact CB-CG 4.19Å; A24-M31 HydrophobicContact CB-SD 3.51Å; A24-M31 VanDerWaalsContact CB-SD 3.51Å
25S67.7Low83.4Confident95 Ų9565.9 Ų65.966%0.66432%0.32SS*.THydrogen-bonded Turntrans-61.7-14.3176.262.60000113.4I21 R22 F23I21-S25 WeakPolarHBondContact O-CB 3.46Å; I21-S25 PolarHBondContact O-N 2.79Å; I21-S25 PolarHBondContact O-OG 2.83Å; R22-S25 PolarHBondContact O-OG 2.84Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 2.76Å
26R61Low83.4Confident149 Ų14963.2 Ų63.256%0.56230%0.304SS*.THydrogen-bonded Turntrans-89.7-21.4175.4-61.1-177.8174.4-148.7-7.6113.5F23 A24 N93F23-R26 PolarHBondContact O-N 3.01Å; A24-R26 PolarHBondContact O-N 3.18Å; R26-N93 PolarHBondContact NH1-O 2.92Å
27D58.4Low83.3Confident51 Ų5167.5 Ų67.527%0.27333%0.327SS..SBendtrans-147.7160-164.5-69.5-73.2000113.7A24 Y29 M86 F89A24-D27 CarbonylContact O-C 3.59Å; A24-D27 PolarHBondContact O-N 2.84Å; D27-Y29 PolarHBondContact O-N 3.22Å; D27-M86 HydrophobicContact CB-CE 4.34Å; D27-F89 HydrophobicContact CB-CD2 4.35Å; D27-F89 WeakPolarHBondContact OD2-CD2 3Å; D27-F89 WeakPolarHBondContact OD2-CE2 3.49Å
28R61.7Low83.4Confident218 Ų21869.4 Ų69.482%0.82335%0.346SS*.  trans-69.146.1176.9-58.2-178.8-71.5172.2-2.3114M86R28-M86 VanDerWaalsContact C-CE 3.45Å; R28-M86 HydrophobicContact CB-CE 3.53Å; R28-M86 WeakPolarHBondContact O-CE 3.48Å
29Y69.7Low83.5Confident35 Ų3566.5 Ų66.514%0.13734%0.337CS..  trans-83.9119.2178.4-120.8-112.1000111V2 F23 D27 M31 L78 H81 A82 M86V2-Y29 HydrophobicContact CG2-CD1 3.86Å; V2-Y29 HydrophobicContact CG2-CE1 3.38Å; F23-Y29 HydrophobicContact CE1-CD2 4.35Å; F23-Y29 HydrophobicContact CE1-CE2 4.47Å; F23-Y29 HydrophobicContact CE1-CG 4.45Å; D27-Y29 PolarHBondContact O-N 3.22Å; Y29-M31 HydrophobicContact CD1-CE 3.77Å; Y29-M31 HydrophobicContact CD1-CG 4.32Å; Y29-M31 HydrophobicContact CG-CE 4.38Å; Y29-M31 PolarHBondContact O-N 2.84Å; Y29-L78 HydrophobicContact CD1-CD2 4.44Å; Y29-L78 HydrophobicContact CE1-CD2 4.07Å; Y29-H81 VanDerWaalsContact OH-C 3.23Å; Y29-H81 WeakPolarHBondContact OH-CB 3.27Å; Y29-A82 HydrophobicContact CD2-CB 4.35Å; Y29-A82 HydrophobicContact CE2-CB 3.53Å; Y29-A82 PolarHBondContact OH-N 3.39Å; Y29-M86 HydrophobicContact CD2-CE 4.37Å; Y29-M86 HydrophobicContact CD2-SD 3.31Å; Y29-M86 WeakPolarHBondContact CD2-SD 3.29Å; Y29-M86 HydrophobicContact CE2-CG 4.4Å; Y29-M86 HydrophobicContact CE2-SD 3.45Å; Y29-M86 WeakPolarHBondContact CE2-SD 3.36Å
30V79.4Confident83.6Confident91 Ų9169.8 Ų69.855%0.55236%0.358SS*.  trans-79.1105.9169.7-177.40000108.6M1 V2M1-V30 CarbonylContact C-O 3.52Å; M1-V30 VanDerWaalsContact CA-O 3.28Å; M1-V30 WeakPolarHBondContact CA-O 3.35Å; M1-V30 HydrophobicContact CG-CG1 4.15Å; M1-V30 HydrophobicContact SD-CG1 4.4Å; V2-V30 PolarHBondContact N-O 2.92Å
31M87.3Confident83.8Confident46 Ų4674 Ų7423%0.22739%0.388CS..EExtended strand (participates in β ladder)trans-106.4138.2172.4-65.4-175.5171.800109.8V2 M20 F23 A24 Y29 L78V2-M31 WeakPolarHBondContact O-CA 3.44Å; M20-M31 HydrophobicContact CB-CE 3.99Å; M20-M31 HydrophobicContact CB-SD 3.55Å; M20-M31 VanDerWaalsContact CB-SD 3.55Å; M20-M31 HydrophobicContact CE-CB 4.28Å; M20-M31 HydrophobicContact CE-CE 4.24Å; M20-M31 HydrophobicContact CE-CG 4Å; M20-M31 HydrophobicContact CE-SD 3.78Å; M20-M31 HydrophobicContact CG-CE 4.32Å; M20-M31 HydrophobicContact CG-SD 4.31Å; M20-M31 VanDerWaalsContact O-CE 3.24Å; M20-M31 WeakPolarHBondContact O-CE 3.35Å; F23-M31 HydrophobicContact CB-CE 4.48Å; F23-M31 HydrophobicContact CD1-CE 3.98Å; A24-M31 HydrophobicContact CB-CE 3.77Å; A24-M31 HydrophobicContact CB-CG 4.19Å; A24-M31 HydrophobicContact CB-SD 3.51Å; A24-M31 VanDerWaalsContact CB-SD 3.51Å; Y29-M31 HydrophobicContact CD1-CE 3.77Å; Y29-M31 HydrophobicContact CD1-CG 4.32Å; Y29-M31 HydrophobicContact CG-CE 4.38Å; Y29-M31 PolarHBondContact O-N 2.84Å; M31-L78 HydrophobicContact CE-CD2 3.66Å
32S92.1Very high84.1Confident50 Ų5072.5 Ų72.535%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-132.2145.6175.2-660000109.3V2 L3 L4V2-S32 PolarHBondContact O-N 2.77Å; L3-S32 CarbonylContact C-O 3.45Å; L3-S32 WeakPolarHBondContact CA-O 3.4Å; L4-S32 PolarHBondContact N-O 3.06Å
33K94.5Very high84.6Confident113 Ų11367 Ų6749%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-112.1130.7175.4-176173.374.1-169.30109.2L4 A6 E17L4-K33 CarbonylContact O-C 3.54Å; L4-K33 WeakPolarHBondContact O-CA 3.46Å; A6-K33 HydrophobicContact CB-CD 3.96Å; A6-K33 HydrophobicContact CB-CG 4.01Å; E17-K33 WeakPolarHBondContact OE1-CD 3.39Å; E17-K33 WeakPolarHBondContact OE1-CE 3.29Å; E17-K33 IonicContact OE1-NZ 3.91Å; E17-K33 PolarHBondContact OE1-NZ 3.37Å; E17-K33 WeakPolarHBondContact OE2-CD 3.38Å; E17-K33 IonicContact OE2-NZ 3.9Å; E17-K33 PolarHBondContact OE2-NZ 2.74Å
34A95.6Very high85.2Confident5 Ų573.8 Ų73.84%0.04139%0.394CS..EExtended strand (participates in β ladder)trans-106.1122.1168.100000108.9L3 L4 F5 A6 A36 L42L3-A34 HydrophobicContact CD1-CB 4.05Å; L4-A34 PolarHBondContact O-N 3.11Å; F5-A34 WeakPolarHBondContact CA-O 3.34Å; F5-A34 HydrophobicContact CD1-CB 3.76Å; F5-A34 HydrophobicContact CE1-CB 3.89Å; F5-A34 HydrophobicContact CG-CB 4.44Å; A6-A34 PolarHBondContact N-O 3.24Å; A34-A36 PolarHBondContact O-N 3.34Å; A34-L42 HydrophobicContact CB-CD2 3.63Å
35D96.6Very high86Confident37 Ų3781.5 Ų81.520%0.19842%0.419CS..EExtended strand (participates in β ladder)trans-73.6115.6168.9-176-46.1000108.2A6 D37 S38 S39A6-D35 WeakPolarHBondContact O-CA 3.23Å; D35-D37 VanDerWaalsContact C-N 3.29Å; D35-D37 PolarHBondContact O-N 2.72Å; D35-D37 WeakPolarHBondContact OD1-CB 3.43Å; D35-D37 PolarHBondContact OD1-N 2.67Å; D35-S38 PolarHBondContact O-N 2.82Å; D35-S38 PolarHBondContact OD1-N 3.16Å; D35-S38 VanDerWaalsContact OD1-N 3.09Å; D35-S38 PolarHBondContact OD1-OG 2.97Å; D35-S39 VanDerWaalsContact O-CB 3.3Å; D35-S39 WeakPolarHBondContact O-CB 3.46Å; D35-S39 PolarHBondContact O-N 3.04Å; D35-S39 PolarHBondContact O-OG 3.08Å
36A94.3Very high87.4Confident6 Ų678 Ų785%0.0539%0.391CS..THydrogen-bonded Turntrans-59.8-39.4-176.800000112A6 A7 A34 S38 L43 I51A6-A36 WeakPolarHBondContact O-CB 3.48Å; A6-A36 PolarHBondContact O-N 2.96Å; A7-A36 HydrophobicContact CB-CB 4.15Å; A34-A36 PolarHBondContact O-N 3.34Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-L43 HydrophobicContact CB-CD1 3.96Å; A36-L43 HydrophobicContact CB-CD2 4.06Å; A36-L43 HydrophobicContact CB-CG 4.46Å; A36-L43 WeakPolarHBondContact O-CD1 3.31Å; A36-I51 HydrophobicContact CB-CD1 3.61Å; A36-I51 HydrophobicContact CB-CG1 3.91Å
37D93.9Very high89Confident92 Ų9275.1 Ų75.149%0.49240%0.395SS..THydrogen-bonded Turntrans-72.6-32.3-177.6-55.3-40.2000110.7W9 D35W9-D37 PolarHBondContact NE1-OD1 2.84Å; W9-D37 PolarHBondContact NE1-OD2 2.92Å; D35-D37 VanDerWaalsContact C-N 3.29Å; D35-D37 PolarHBondContact O-N 2.72Å; D35-D37 WeakPolarHBondContact OD1-CB 3.43Å; D35-D37 PolarHBondContact OD1-N 2.67Å
38S95.4Very high90.9Very high90 Ų9073.6 Ų73.663%0.62939%0.387SS*.THydrogen-bonded Turntrans-91.3-14.3-178.3-52.60000114.1D35 A36 P40D35-S38 PolarHBondContact O-N 2.82Å; D35-S38 PolarHBondContact OD1-N 3.16Å; D35-S38 VanDerWaalsContact OD1-N 3.09Å; D35-S38 PolarHBondContact OD1-OG 2.97Å; A36-S38 VanDerWaalsContact C-N 3.32Å; S38-P40 VanDerWaalsContact C-CD 3.48Å
39S93.6Very high92.4Very high40 Ų4070.1 Ų70.128%0.2839%0.385SS..  trans-127.955.4-174.3-480000115.1D35 S41 L42 L43D35-S39 VanDerWaalsContact O-CB 3.3Å; D35-S39 WeakPolarHBondContact O-CB 3.46Å; D35-S39 PolarHBondContact O-N 3.04Å; D35-S39 PolarHBondContact O-OG 3.08Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.06Å; S39-L42 WeakPolarHBondContact O-CB 3.11Å; S39-L42 PolarHBondContact O-N 3.46Å; S39-L43 PolarHBondContact O-N 3.38Å; S39-L43 VanDerWaalsContact O-N 3.17Å
40P93.3Very high93.7Very high82 Ų8273.3 Ų73.353%0.53240%0.401SS..Hα-helixtrans-57-39.9-178.2-25.234.6000114.6S38 L42 L43 Q44S38-P40 VanDerWaalsContact C-CD 3.48Å; P40-L42 PolarHBondContact O-N 3.48Å; P40-L43 WeakPolarHBondContact O-CB 3.48Å; P40-L43 PolarHBondContact O-N 3.28Å; P40-Q44 PolarHBondContact O-N 3.47Å
41S94.7Very high94.5Very high95 Ų9570.2 Ų70.266%0.66438%0.381SS*.Hα-helixtrans-63.1-29.9178.2-51.70000112.5S39 R45S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.06Å; S41-R45 WeakPolarHBondContact O-CB 3.33Å; S41-R45 PolarHBondContact O-N 2.81Å
42L93.5Very high95Very high47 Ų4768.2 Ų68.225%0.24637%0.371CS..Hα-helixtrans-76.2-41176.6-16365.8000111.1L3 F5 A34 S39 P40 Q44 R45 F46L3-L42 HydrophobicContact CD2-CD2 4.28Å; F5-L42 HydrophobicContact CE1-CB 4.23Å; F5-L42 HydrophobicContact CE1-CD2 3.92Å; F5-L42 HydrophobicContact CE1-CG 3.74Å; F5-L42 HydrophobicContact CZ-CD2 4.29Å; F5-L42 HydrophobicContact CZ-CG 4.01Å; A34-L42 HydrophobicContact CB-CD2 3.63Å; S39-L42 WeakPolarHBondContact O-CB 3.11Å; S39-L42 PolarHBondContact O-N 3.46Å; P40-L42 PolarHBondContact O-N 3.48Å; L42-Q44 VanDerWaalsContact C-N 3.3Å; L42-Q44 PolarHBondContact O-N 3.1Å; L42-R45 PolarHBondContact O-N 2.81Å; L42-F46 HydrophobicContact CD1-CD2 3.91Å; L42-F46 HydrophobicContact CD1-CE2 3.64Å; L42-F46 HydrophobicContact CG-CD2 4.08Å; L42-F46 HydrophobicContact CG-CE2 4.22Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.63Å
43L94.3Very high95.3Very high33 Ų3365.8 Ų65.817%0.17336%0.355CS..Hα-helixtrans-56.6-46.9171.4-68.4169.9000110.7F5 A36 S39 P40 F46 S47 V48 I51F5-L43 HydrophobicContact CB-CD2 4.31Å; F5-L43 HydrophobicContact CD1-CD2 3.55Å; F5-L43 HydrophobicContact CD1-CG 4.36Å; F5-L43 HydrophobicContact CE1-CD2 4.22Å; F5-L43 HydrophobicContact CG-CD2 4.21Å; A36-L43 HydrophobicContact CB-CD1 3.96Å; A36-L43 HydrophobicContact CB-CD2 4.06Å; A36-L43 HydrophobicContact CB-CG 4.46Å; A36-L43 WeakPolarHBondContact O-CD1 3.31Å; S39-L43 PolarHBondContact O-N 3.38Å; S39-L43 VanDerWaalsContact O-N 3.17Å; P40-L43 WeakPolarHBondContact O-CB 3.48Å; P40-L43 PolarHBondContact O-N 3.28Å; L43-F46 CarbonylContact O-C 3.57Å; L43-F46 PolarHBondContact O-N 3.01Å; L43-S47 WeakPolarHBondContact O-CA 3.15Å; L43-S47 PolarHBondContact O-N 2.86Å; L43-V48 HydrophobicContact CB-CB 4.33Å; L43-V48 HydrophobicContact CD2-CB 3.57Å; L43-V48 HydrophobicContact CD2-CG1 3.53Å; L43-V48 HydrophobicContact CD2-CG2 4.31Å; L43-V48 PolarHBondContact O-N 2.94Å; L43-I51 HydrophobicContact CD2-CD1 4.09Å
44Q95.4Very high95.5Very high155 Ų15560.5 Ų60.572%0.72433%0.332SS*.Hα-helixtrans-61.3-47.4177.2-174.1-178.87.600111.5P40 L42 F46 S47P40-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact C-N 3.3Å; L42-Q44 PolarHBondContact O-N 3.1Å; Q44-F46 VanDerWaalsContact C-N 3.27Å; Q44-F46 PolarHBondContact O-N 3Å; Q44-S47 PolarHBondContact O-N 3.27Å
45R94.4Very high95.6Very high181 Ų18160.3 Ų60.368%0.68333%0.33SS*.Hα-helixtrans-56-41.3178.3175.7178.2172.2-179.7-1.6112.4S41 L42S41-R45 WeakPolarHBondContact O-CB 3.33Å; S41-R45 PolarHBondContact O-N 2.81Å; L42-R45 PolarHBondContact O-N 2.81Å
46F95.7Very high95.5Very high21 Ų2158.6 Ų58.69%0.09232%0.321CS..THydrogen-bonded Turntrans-94.38.1178.7-73.3-81000113.1L3 F5 L42 L43 Q44 V48 V55 L57 R65L3-F46 HydrophobicContact CD2-CD2 4.3Å; L3-F46 HydrophobicContact CD2-CE2 3.9Å; L3-F46 HydrophobicContact CD2-CZ 4.22Å; F5-F46 HydrophobicContact CE1-CD2 4.44Å; F5-F46 HydrophobicContact CE2-CB 3.99Å; F5-F46 HydrophobicContact CE2-CD2 4.23Å; F5-F46 HydrophobicContact CE2-CG 4.07Å; F5-F46 HydrophobicContact CZ-CB 3.73Å; F5-F46 AromaticContact CZ-CD2 3.49Å; F5-F46 HydrophobicContact CZ-CD2 3.49Å; F5-F46 VanDerWaalsContact CZ-CD2 3.49Å; F5-F46 HydrophobicContact CZ-CE2 4.26Å; F5-F46 AromaticContact CZ-CG 3.73Å; F5-F46 HydrophobicContact CZ-CG 3.73Å; L42-F46 HydrophobicContact CD1-CD2 3.91Å; L42-F46 HydrophobicContact CD1-CE2 3.64Å; L42-F46 HydrophobicContact CG-CD2 4.08Å; L42-F46 HydrophobicContact CG-CE2 4.22Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.63Å; L43-F46 CarbonylContact O-C 3.57Å; L43-F46 PolarHBondContact O-N 3.01Å; Q44-F46 VanDerWaalsContact C-N 3.27Å; Q44-F46 PolarHBondContact O-N 3Å; F46-V48 HydrophobicContact CB-CG2 3.77Å; F46-V48 PolarHBondContact O-N 3.32Å; F46-V55 HydrophobicContact CD1-CG1 4.04Å; F46-V55 HydrophobicContact CD1-CG2 4.48Å; F46-V55 HydrophobicContact CE1-CG1 4.2Å; F46-L57 HydrophobicContact CE1-CD1 4.19Å; F46-L57 HydrophobicContact CE1-CD2 3.72Å; F46-L57 HydrophobicContact CZ-CD1 4.04Å; F46-L57 HydrophobicContact CZ-CD2 4.3Å; F46-R65 VanDerWaalsContact O-CZ 3.31Å; F46-R65 PolarHBondContact O-NH1 3.18Å; F46-R65 PolarHBondContact O-NH2 3.45Å
47S96Very high95.4Very high90 Ų9058.9 Ų58.963%0.62932%0.321SS*.THydrogen-bonded Turntrans46.845.6-178-60.90000112.7L43 Q44L43-S47 WeakPolarHBondContact O-CA 3.15Å; L43-S47 PolarHBondContact O-N 2.86Å; Q44-S47 PolarHBondContact O-N 3.27Å
48V96.6Very high95.2Very high18 Ų1858 Ų5811%0.10931%0.314CS..  trans-84.3118.1-179.9179.30000108.9F5 L43 F46 Q50 I51 T53F5-V48 HydrophobicContact CB-CG1 4.11Å; F5-V48 HydrophobicContact CD1-CG2 4.12Å; F5-V48 HydrophobicContact CD2-CG2 3.69Å; F5-V48 HydrophobicContact CE1-CG2 4.19Å; F5-V48 HydrophobicContact CE2-CG2 3.79Å; F5-V48 HydrophobicContact CG-CG1 4.24Å; F5-V48 HydrophobicContact CG-CG2 3.85Å; F5-V48 HydrophobicContact CZ-CG2 4.04Å; L43-V48 HydrophobicContact CB-CB 4.33Å; L43-V48 HydrophobicContact CD2-CB 3.57Å; L43-V48 HydrophobicContact CD2-CG1 3.53Å; L43-V48 HydrophobicContact CD2-CG2 4.31Å; L43-V48 PolarHBondContact O-N 2.94Å; F46-V48 HydrophobicContact CB-CG2 3.77Å; F46-V48 PolarHBondContact O-N 3.32Å; V48-Q50 WeakPolarHBondContact CG1-O 3.18Å; V48-I51 HydrophobicContact CG1-CD1 4.03Å; V48-T53 HydrophobicContact CG1-CG2 4.32Å; V48-T53 HydrophobicContact CG2-CG2 4.22Å
49N94.9Very high94.8Very high145 Ų14561.2 Ų61.278%0.77532%0.324SS*.  trans-116-4.6-179.560.46.5000113.4
50Q95.9Very high94.4Very high102 Ų10261.8 Ų61.848%0.47734%0.336SS..SBendtrans-139.5144.2179.4-173.416938.700110.3V48 T53 V67V48-Q50 WeakPolarHBondContact CG1-O 3.18Å; Q50-T53 WeakPolarHBondContact O-CB 3.4Å; Q50-T53 PolarHBondContact O-OG1 2.83Å; Q50-V67 HydrophobicContact CB-CG1 3.72Å; Q50-V67 HydrophobicContact CG-CG1 4.31Å; Q50-V67 VanDerWaalsContact OE1-CG1 3.23Å
51I97.3Very high94.4Very high27 Ų2765.4 Ų65.414%0.13834%0.344CS..SBendtrans-119135.9175.8-63.1-61.7000108.6F5 A7 W9 S13 A36 L43 V48F5-I51 HydrophobicContact CB-CD1 3.73Å; A7-I51 HydrophobicContact CB-CG2 3.85Å; W9-I51 HydrophobicContact CH2-CB 3.73Å; W9-I51 HydrophobicContact CH2-CG1 4.16Å; W9-I51 HydrophobicContact CH2-CG2 4.13Å; W9-I51 HydrophobicContact CZ2-CB 4.24Å; W9-I51 HydrophobicContact CZ2-CG1 4.24Å; W9-I51 HydrophobicContact CZ2-CG2 4.48Å; W9-I51 HydrophobicContact CZ3-CB 4.46Å; S13-I51 VanDerWaalsContact OG-CG2 3.23Å; S13-I51 WeakPolarHBondContact OG-CG2 3.3Å; A36-I51 HydrophobicContact CB-CD1 3.61Å; A36-I51 HydrophobicContact CB-CG1 3.91Å; L43-I51 HydrophobicContact CD2-CD1 4.09Å; V48-I51 HydrophobicContact CG1-CD1 4.03Å
52P97.9Very high94.4Very high3 Ų365 Ų652%0.01933%0.331CS..SBendcis-72.1151.9-5.829.6-33.5000112.5L4 F5 E12 V16 G68L4-P52 HydrophobicContact CD1-CB 3.92Å; F5-P52 VanDerWaalsContact O-CA 3.29Å; F5-P52 WeakPolarHBondContact O-CA 3.3Å; E12-P52 HydrophobicContact CB-CG 4.08Å; V16-P52 HydrophobicContact CG2-CB 4.43Å; V16-P52 HydrophobicContact CG2-CG 3.92Å; P52-G68 VanDerWaalsContact O-CA 3.26Å; P52-G68 WeakPolarHBondContact O-CA 3.29Å; P52-G68 PolarHBondContact O-N 3.1Å
53T98.3Very high94.5Very high0 Ų065.7 Ų65.70%034%0.335CS..EExtended strand (participates in β ladder)trans-130.4132.2165.5-73.90000109F5 V48 Q50 V55 R65 L66F5-T53 PolarHBondContact N-O 3.39Å; F5-T53 PolarHBondContact O-N 3.27Å; V48-T53 HydrophobicContact CG1-CG2 4.32Å; V48-T53 HydrophobicContact CG2-CG2 4.22Å; Q50-T53 WeakPolarHBondContact O-CB 3.4Å; Q50-T53 PolarHBondContact O-OG1 2.83Å; T53-V55 HydrophobicContact CG2-CG2 4.02Å; T53-R65 HydrophobicContact CG2-CG 4.11Å; T53-L66 CarbonylContact C-O 3.58Å; T53-L66 WeakPolarHBondContact CA-O 3.48Å
54V97.8Very high94.6Very high2 Ų266 Ų661%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-108.9125.7176.6-176.70000108.7V2 L3 L4 V16 M20 F56 R65 L66 L74V2-V54 HydrophobicContact CG1-CG1 3.24Å; L3-V54 WeakPolarHBondContact O-CA 3.42Å; L4-V54 HydrophobicContact CD1-CG2 3.87Å; V16-V54 HydrophobicContact CG1-CG2 3.74Å; M20-V54 HydrophobicContact CE-CG1 4.46Å; M20-V54 HydrophobicContact SD-CG1 4.21Å; M20-V54 HydrophobicContact SD-CG2 4.05Å; V54-F56 HydrophobicContact CB-CE2 4.49Å; V54-F56 HydrophobicContact CG1-CD2 4.38Å; V54-F56 HydrophobicContact CG1-CE2 3.79Å; V54-F56 HydrophobicContact CG1-CZ 4.06Å; V54-R65 CarbonylContact O-C 3.5Å; V54-R65 VanDerWaalsContact O-CA 3.31Å; V54-R65 WeakPolarHBondContact O-CA 3.36Å; V54-L66 HydrophobicContact CB-CB 4.23Å; V54-L66 PolarHBondContact N-O 2.87Å; V54-L66 PolarHBondContact O-N 3.11Å; V54-L74 HydrophobicContact CG1-CD1 4.28Å; V54-L74 HydrophobicContact CG2-CD1 4.07Å
55V97.3Very high94.7Very high0 Ų061.4 Ų61.40%031%0.313CS..EExtended strand (participates in β ladder)trans-115.4127.3177.9-175.60000109.3V2 L3 F5 F46 T53 L57 E62V2-V55 WeakPolarHBondContact CA-O 3.46Å; L3-V55 PolarHBondContact N-O 3.27Å; L3-V55 PolarHBondContact O-N 3.4Å; F5-V55 HydrophobicContact CD2-CG2 4.11Å; F5-V55 HydrophobicContact CE2-CB 4.44Å; F5-V55 HydrophobicContact CE2-CG2 3.76Å; F46-V55 HydrophobicContact CD1-CG1 4.04Å; F46-V55 HydrophobicContact CD1-CG2 4.48Å; F46-V55 HydrophobicContact CE1-CG1 4.2Å; T53-V55 HydrophobicContact CG2-CG2 4.02Å; V55-L57 HydrophobicContact CG1-CD2 3.84Å; V55-L57 HydrophobicContact CG1-CG 4.14Å; V55-E62 HydrophobicContact CG1-CB 4.26Å; V55-E62 HydrophobicContact CG1-CG 3.77Å
56F94.6Very high94.9Very high2 Ų253.2 Ų53.21%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-95.1127.3176.3-63.1-101.4000108.9V2 V54 E62 I63 D64 K77 L78 H81V2-F56 HydrophobicContact CG1-CD1 4.32Å; V2-F56 HydrophobicContact CG1-CE1 4.23Å; V2-F56 HydrophobicContact CG1-CZ 4.44Å; V2-F56 HydrophobicContact CG2-CD1 3.59Å; V2-F56 HydrophobicContact CG2-CE1 3.83Å; V2-F56 HydrophobicContact CG2-CG 4.39Å; V54-F56 HydrophobicContact CB-CE2 4.49Å; V54-F56 HydrophobicContact CG1-CD2 4.38Å; V54-F56 HydrophobicContact CG1-CE2 3.79Å; V54-F56 HydrophobicContact CG1-CZ 4.06Å; F56-E62 WeakPolarHBondContact O-CA 3.45Å; F56-I63 HydrophobicContact CB-CD1 4.35Å; F56-I63 HydrophobicContact CB-CG1 3.88Å; F56-I63 WeakPolarHBondContact O-CG1 3.2Å; F56-I63 PolarHBondContact O-N 3.07Å; F56-D64 HydrophobicContact CB-CB 3.92Å; F56-D64 HydrophobicContact CD2-CB 3.96Å; F56-D64 HydrophobicContact CG-CB 4.12Å; F56-D64 PolarHBondContact N-O 3.37Å; F56-K77 HydrophobicContact CE1-CB 4.13Å; F56-K77 HydrophobicContact CE2-CB 3.84Å; F56-K77 HydrophobicContact CE2-CD 4.06Å; F56-K77 HydrophobicContact CZ-CB 3.48Å; F56-K77 VanDerWaalsContact CZ-CB 3.48Å; F56-L78 HydrophobicContact CE1-CD2 3.96Å; F56-L78 HydrophobicContact CE1-CG 4.35Å; F56-L78 HydrophobicContact CZ-CD2 4.33Å; F56-L78 HydrophobicContact CZ-CG 4.39Å; F56-H81 HydrophobicContact CD1-CB 4.16Å; F56-H81 AromaticContact CD1-CD2 3.3Å; F56-H81 WeakPolarHBondContact CD1-CD2 3.26Å; F56-H81 AromaticContact CD1-CG 3.84Å; F56-H81 AromaticContact CE1-CD2 3.7Å; F56-H81 AromaticContact CG-CD2 3.71Å
57L93Very high95Very high11 Ų1155.2 Ų55.26%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-124.6129.9-173.5-60.5168.9000111.3M1 L3 F46 V55 K61 E62M1-L57 HydrophobicContact CB-CB 4.43Å; M1-L57 HydrophobicContact CE-CB 4.43Å; M1-L57 HydrophobicContact CE-CD1 3.43Å; M1-L57 VanDerWaalsContact CE-CD1 3.43Å; M1-L57 PolarHBondContact N-O 3.47Å; M1-L57 PolarHBondContact O-N 2.89Å; L3-L57 HydrophobicContact CB-CD1 4.29Å; F46-L57 HydrophobicContact CE1-CD1 4.19Å; F46-L57 HydrophobicContact CE1-CD2 3.72Å; F46-L57 HydrophobicContact CZ-CD1 4.04Å; F46-L57 HydrophobicContact CZ-CD2 4.3Å; V55-L57 HydrophobicContact CG1-CD2 3.84Å; V55-L57 HydrophobicContact CG1-CG 4.14Å; L57-K61 VanDerWaalsContact CA-O 3.26Å; L57-K61 WeakPolarHBondContact CA-O 3.31Å; L57-E62 HydrophobicContact CD2-CB 4.19Å
58E88.5Confident94.9Very high73 Ų7351.4 Ų51.434%0.34127%0.271SS..EExtended strand (participates in β ladder)trans-120.6127167.9179.2176.8-150.200108.3G60 K61 I63 Y85E58-G60 PolarHBondContact O-N 3.43Å; E58-K61 PolarHBondContact N-O 3.45Å; E58-K61 PolarHBondContact O-N 2.91Å; E58-I63 HydrophobicContact CB-CD1 4.02Å; E58-I63 HydrophobicContact CB-CG1 4.49Å; E58-I63 HydrophobicContact CB-CG2 3.78Å; E58-Y85 HydrophobicContact CG-CE1 4.26Å; E58-Y85 WeakPolarHBondContact OE1-CD1 3.22Å; E58-Y85 WeakPolarHBondContact OE1-CE1 3.42Å; E58-Y85 WeakPolarHBondContact OE2-CE1 3.37Å; E58-Y85 VanDerWaalsContact OE2-CZ 3.23Å; E58-Y85 PolarHBondContact OE2-OH 3.23Å
59D86.9Confident94.9Very high158 Ų15855.6 Ų55.685%0.84529%0.288SS*.THydrogen-bonded Turntrans46.936.1-176.6-62.2-23.4000114.2K61D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 PolarHBondContact O-N 3.49Å
60G87.1Confident94.9Very high52 Ų5252.1 Ų52.154%0.53627%0.269SS..THydrogen-bonded Turntrans77.6-0-179.600000115.6E58E58-G60 PolarHBondContact O-N 3.43Å
61K92.5Very high94.7Very high159 Ų15949.1 Ų49.169%0.69126%0.258SS*.EExtended strand (participates in β ladder)trans-96.7141.6174.7-64.3178.3-177.5172.20110.8L57 E58 D59 I63L57-K61 VanDerWaalsContact CA-O 3.26Å; L57-K61 WeakPolarHBondContact CA-O 3.31Å; E58-K61 PolarHBondContact N-O 3.45Å; E58-K61 PolarHBondContact O-N 2.91Å; D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 PolarHBondContact O-N 3.49Å; K61-I63 PolarHBondContact O-N 3.15Å
62E95.1Very high94.3Very high86 Ų8652 Ų5240%0.40228%0.279SS..EExtended strand (participates in β ladder)trans-70.4123.5172.4-178.7170159.400110.4V55 F56 L57 R65V55-E62 HydrophobicContact CG1-CB 4.26Å; V55-E62 HydrophobicContact CG1-CG 3.77Å; F56-E62 WeakPolarHBondContact O-CA 3.45Å; L57-E62 HydrophobicContact CD2-CB 4.19Å; E62-R65 IonicContact OE1-CZ 2.81Å; E62-R65 VanDerWaalsContact OE1-CZ 3.31Å; E62-R65 IonicContact OE1-NE 2.6Å; E62-R65 PolarHBondContact OE1-NE 3.15Å; E62-R65 IonicContact OE1-NH2 3.55Å; E62-R65 PolarHBondContact OE1-NH2 3.49Å; E62-R65 IonicContact OE2-CZ 2.92Å; E62-R65 IonicContact OE2-NE 3.28Å; E62-R65 IonicContact OE2-NH2 3.1Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å
63I95.2Very high94.1Very high61 Ų6154.4 Ų54.431%0.31329%0.291SS..EExtended strand (participates in β ladder)trans-111.2-22.8177.556.8165.6000112.3F56 E58 K61 H81 Y85F56-I63 HydrophobicContact CB-CD1 4.35Å; F56-I63 HydrophobicContact CB-CG1 3.88Å; F56-I63 WeakPolarHBondContact O-CG1 3.2Å; F56-I63 PolarHBondContact O-N 3.07Å; E58-I63 HydrophobicContact CB-CD1 4.02Å; E58-I63 HydrophobicContact CB-CG1 4.49Å; E58-I63 HydrophobicContact CB-CG2 3.78Å; K61-I63 PolarHBondContact O-N 3.15Å; I63-H81 WeakPolarHBondContact CD1-ND1 3.24Å; I63-Y85 HydrophobicContact CD1-CD2 4.46Å; I63-Y85 HydrophobicContact CD1-CE2 3.43Å; I63-Y85 VanDerWaalsContact CD1-CE2 3.43Å; I63-Y85 WeakPolarHBondContact CD1-OH 3.41Å
64D97Very high93.9Very high40 Ų4054.4 Ų54.421%0.21429%0.291CS..EExtended strand (participates in β ladder)trans-162.9163178-160-1.8000110.5F56 K77 H81F56-D64 HydrophobicContact CB-CB 3.92Å; F56-D64 HydrophobicContact CD2-CB 3.96Å; F56-D64 HydrophobicContact CG-CB 4.12Å; F56-D64 PolarHBondContact N-O 3.37Å; D64-K77 IonicContact OD1-NZ 3.55Å; D64-K77 PolarHBondContact OD1-NZ 2.8Å; D64-K77 IonicContact OD2-NZ 3.78Å; D64-K77 PolarHBondContact OD2-NZ 3.38Å; D64-H81 WeakPolarHBondContact CB-NE2 3.16Å; D64-H81 IonicContact OD2-CD2 2.7Å; D64-H81 IonicContact OD2-CE1 2.7Å; D64-H81 IonicContact OD2-NE2 3.7Å; D64-H81 PolarHBondContact OD2-NE2 3.35Å
65R97.6Very high93.4Very high58 Ų5856.7 Ų56.722%0.21930%0.302CS..EExtended strand (participates in β ladder)trans-147.3149.1-179.7177.8-177.8-62.4-124-1.9111F46 T53 V54 E62 V67 K77F46-R65 VanDerWaalsContact O-CZ 3.31Å; F46-R65 PolarHBondContact O-NH1 3.18Å; F46-R65 PolarHBondContact O-NH2 3.45Å; T53-R65 HydrophobicContact CG2-CG 4.11Å; V54-R65 CarbonylContact O-C 3.5Å; V54-R65 VanDerWaalsContact O-CA 3.31Å; V54-R65 WeakPolarHBondContact O-CA 3.36Å; E62-R65 IonicContact OE1-CZ 2.81Å; E62-R65 VanDerWaalsContact OE1-CZ 3.31Å; E62-R65 IonicContact OE1-NE 2.6Å; E62-R65 PolarHBondContact OE1-NE 3.15Å; E62-R65 IonicContact OE1-NH2 3.55Å; E62-R65 PolarHBondContact OE1-NH2 3.49Å; E62-R65 IonicContact OE2-CZ 2.92Å; E62-R65 IonicContact OE2-NE 3.28Å; E62-R65 IonicContact OE2-NH2 3.1Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å; R65-V67 HydrophobicContact CG-CG2 3.81Å; R65-K77 WeakPolarHBondContact O-CE 3.49Å; R65-K77 PolarHBondContact O-NZ 2.97Å
66L98Very high93Very high10 Ų1061.5 Ų61.55%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-126.2121.6163.5177.960.6000109.3T53 V54 N70 D73 L74 K77T53-L66 CarbonylContact C-O 3.58Å; T53-L66 WeakPolarHBondContact CA-O 3.48Å; V54-L66 HydrophobicContact CB-CB 4.23Å; V54-L66 PolarHBondContact N-O 2.87Å; V54-L66 PolarHBondContact O-N 3.11Å; L66-N70 HydrophobicContact CD1-CB 4.31Å; L66-D73 HydrophobicContact CD1-CB 4.16Å; L66-D73 VanDerWaalsContact CD1-OD2 3.27Å; L66-D73 WeakPolarHBondContact CD1-OD2 3.36Å; L66-L74 HydrophobicContact CD2-CB 3.55Å; L66-L74 HydrophobicContact CD2-CD1 4.18Å; L66-L74 HydrophobicContact CD2-CG 4.46Å; L66-K77 HydrophobicContact CB-CD 4.13Å
67V97.4Very high92.9Very high63 Ų6363.1 Ų63.138%0.38234%0.335SS..EExtended strand (participates in β ladder)trans-103127.4178.2-169.40000108.8Q50 R65Q50-V67 HydrophobicContact CB-CG1 3.72Å; Q50-V67 HydrophobicContact CG-CG1 4.31Å; Q50-V67 VanDerWaalsContact OE1-CG1 3.23Å; R65-V67 HydrophobicContact CG-CG2 3.81Å
68G95.2Very high92.8Very high9 Ų962.6 Ų62.69%0.09333%0.332CS..SBendtrans80.5-167.1178.200000114.4P52P52-G68 VanDerWaalsContact O-CA 3.26Å; P52-G68 WeakPolarHBondContact O-CA 3.29Å; P52-G68 PolarHBondContact O-N 3.1Å
69F95.3Very high92.7Very high106 Ų10661 Ų6147%0.46532%0.324SS..  trans-95.699.6-173.6-176.4-116.8000112.2E12 T15 V16 V71E12-F69 HydrophobicContact CB-CB 3.85Å; E12-F69 HydrophobicContact CB-CD2 3.75Å; E12-F69 HydrophobicContact CB-CE2 4.48Å; E12-F69 HydrophobicContact CB-CG 3.84Å; E12-F69 HydrophobicContact CG-CB 3.81Å; E12-F69 HydrophobicContact CG-CD1 4.19Å; E12-F69 HydrophobicContact CG-CD2 4.18Å; E12-F69 HydrophobicContact CG-CG 3.8Å; T15-F69 HydrophobicContact CG2-CE2 3.66Å; T15-F69 HydrophobicContact CG2-CZ 3.86Å; V16-F69 HydrophobicContact CG2-CD2 3.8Å; V16-F69 HydrophobicContact CG2-CE2 4.2Å; F69-V71 HydrophobicContact CD2-CG2 4.25Å; F69-V71 HydrophobicContact CE2-CG2 3.4Å; F69-V71 VanDerWaalsContact CE2-CG2 3.4Å; F69-V71 HydrophobicContact CZ-CG2 3.57Å
70N95.6Very high92.7Very high73 Ų7359.2 Ų59.239%0.3931%0.309SS..  trans-142.493.3171.5-174.8-22.8000109.8L66 P72 D73 L74L66-N70 HydrophobicContact CD1-CB 4.31Å; N70-P72 VanDerWaalsContact OD1-CD 3.29Å; N70-P72 WeakPolarHBondContact OD1-CD 3.49Å; N70-D73 HydrophobicContact CB-CB 4.17Å; N70-D73 PolarHBondContact O-N 2.98Å; N70-D73 WeakPolarHBondContact OD1-CB 3.29Å; N70-D73 PolarHBondContact OD1-N 2.92Å; N70-L74 WeakPolarHBondContact O-CB 3.49Å; N70-L74 PolarHBondContact O-N 2.97Å
71V90.8Very high92.7Very high39 Ų3957.1 Ų57.124%0.23629%0.285CS..Hα-helixtrans-63.7-43.7-177.1177.20000112.8T15 F69 D73 L74 M75T15-V71 HydrophobicContact CG2-CG2 4.46Å; F69-V71 HydrophobicContact CD2-CG2 4.25Å; F69-V71 HydrophobicContact CE2-CG2 3.4Å; F69-V71 VanDerWaalsContact CE2-CG2 3.4Å; F69-V71 HydrophobicContact CZ-CG2 3.57Å; V71-D73 PolarHBondContact O-N 3.42Å; V71-L74 WeakPolarHBondContact O-CB 3.28Å; V71-L74 PolarHBondContact O-N 3.31Å; V71-M75 HydrophobicContact CG1-CG 4.29Å; V71-M75 WeakPolarHBondContact O-CG 3.28Å; V71-M75 PolarHBondContact O-N 2.92Å
72P88.7Confident92.3Very high88 Ų8849.5 Ų49.557%0.57125%0.252SS*.Hα-helixtrans-55.8-46.7174.7-28.535.7000113.4N70 M75 N76N70-P72 VanDerWaalsContact OD1-CD 3.29Å; N70-P72 WeakPolarHBondContact OD1-CD 3.49Å; P72-M75 PolarHBondContact O-N 3.44Å; P72-N76 VanDerWaalsContact O-CG 3.3Å; P72-N76 PolarHBondContact O-N 3.44Å; P72-N76 PolarHBondContact O-ND2 3.37Å
73D93.4Very high91.6Very high53 Ų5353.3 Ų53.328%0.28327%0.267SS..Hα-helixtrans-68.8-38.8179.5-166.425.9000111.8L66 N70 V71 M75 N76 K77L66-D73 HydrophobicContact CD1-CB 4.16Å; L66-D73 VanDerWaalsContact CD1-OD2 3.27Å; L66-D73 WeakPolarHBondContact CD1-OD2 3.36Å; N70-D73 HydrophobicContact CB-CB 4.17Å; N70-D73 PolarHBondContact O-N 2.98Å; N70-D73 WeakPolarHBondContact OD1-CB 3.29Å; N70-D73 PolarHBondContact OD1-N 2.92Å; V71-D73 PolarHBondContact O-N 3.42Å; D73-M75 VanDerWaalsContact C-N 3.33Å; D73-M75 PolarHBondContact O-N 3.26Å; D73-N76 PolarHBondContact O-N 2.97Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 WeakPolarHBondContact O-CG 3.32Å; D73-K77 PolarHBondContact O-N 3.39Å; D73-K77 WeakPolarHBondContact OD1-CE 3.48Å; D73-K77 WeakPolarHBondContact OD2-CE 3.42Å
74L94Very high91Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-53.5-50.9171.7175.163.9000111.3V16 C19 M20 V54 L66 N70 V71 N76 K77 L78V16-L74 HydrophobicContact CB-CD2 4.37Å; V16-L74 HydrophobicContact CG1-CD2 3.85Å; V16-L74 HydrophobicContact CG2-CD2 4.37Å; C19-L74 HydrophobicContact CB-CD2 3.85Å; M20-L74 HydrophobicContact CG-CD1 4.13Å; M20-L74 HydrophobicContact CG-CD2 4.28Å; M20-L74 HydrophobicContact SD-CD1 4.42Å; V54-L74 HydrophobicContact CG1-CD1 4.28Å; V54-L74 HydrophobicContact CG2-CD1 4.07Å; L66-L74 HydrophobicContact CD2-CB 3.55Å; L66-L74 HydrophobicContact CD2-CD1 4.18Å; L66-L74 HydrophobicContact CD2-CG 4.46Å; N70-L74 WeakPolarHBondContact O-CB 3.49Å; N70-L74 PolarHBondContact O-N 2.97Å; V71-L74 WeakPolarHBondContact O-CB 3.28Å; V71-L74 PolarHBondContact O-N 3.31Å; L74-N76 VanDerWaalsContact C-N 3.35Å; L74-N76 PolarHBondContact O-N 2.88Å; L74-K77 PolarHBondContact O-N 3.23Å; L74-L78 HydrophobicContact CD1-CD1 3.88Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CG-CD1 3.84Å; L74-L78 HydrophobicContact CG-CG 4.48Å; L74-L78 WeakPolarHBondContact O-CB 3.22Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 3Å
75M88.5Confident90.2Very high50 Ų5057.7 Ų57.725%0.24629%0.285CS..Hα-helixtrans-65.1-39.6-178.9-67.8-56.1-60.800111.7F23 V71 P72 D73 L78 K79F23-M75 HydrophobicContact CD2-CE 3.84Å; V71-M75 HydrophobicContact CG1-CG 4.29Å; V71-M75 WeakPolarHBondContact O-CG 3.28Å; V71-M75 PolarHBondContact O-N 2.92Å; P72-M75 PolarHBondContact O-N 3.44Å; D73-M75 VanDerWaalsContact C-N 3.33Å; D73-M75 PolarHBondContact O-N 3.26Å; M75-L78 HydrophobicContact SD-CD1 4.32Å; M75-K79 WeakPolarHBondContact O-CB 3.32Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.48Å; M75-K79 PolarHBondContact O-N 3.49Å
76N88.7Confident89.1Confident101 Ų10156.2 Ų56.254%0.5428%0.28SS..Hα-helixtrans-64-47177.1-73-23.2000111.9P72 D73 L74 K79 F80P72-N76 VanDerWaalsContact O-CG 3.3Å; P72-N76 PolarHBondContact O-N 3.44Å; P72-N76 PolarHBondContact O-ND2 3.37Å; D73-N76 PolarHBondContact O-N 2.97Å; L74-N76 VanDerWaalsContact C-N 3.35Å; L74-N76 PolarHBondContact O-N 2.88Å; N76-K79 PolarHBondContact O-N 2.88Å; N76-F80 VanDerWaalsContact O-CB 3.32Å; N76-F80 WeakPolarHBondContact O-CB 3.41Å; N76-F80 PolarHBondContact O-N 2.96Å
77K92.3Very high87.7Confident35 Ų3561.5 Ų61.515%0.15232%0.316CS..Hα-helixtrans-63.4-44.4177.3-70.6175178-72.80111.6F56 D64 R65 L66 D73 L74 K79 F80 H81F56-K77 HydrophobicContact CE1-CB 4.13Å; F56-K77 HydrophobicContact CE2-CB 3.84Å; F56-K77 HydrophobicContact CE2-CD 4.06Å; F56-K77 HydrophobicContact CZ-CB 3.48Å; F56-K77 VanDerWaalsContact CZ-CB 3.48Å; D64-K77 IonicContact OD1-NZ 3.55Å; D64-K77 PolarHBondContact OD1-NZ 2.8Å; D64-K77 IonicContact OD2-NZ 3.78Å; D64-K77 PolarHBondContact OD2-NZ 3.38Å; R65-K77 WeakPolarHBondContact O-CE 3.49Å; R65-K77 PolarHBondContact O-NZ 2.97Å; L66-K77 HydrophobicContact CB-CD 4.13Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 WeakPolarHBondContact O-CG 3.32Å; D73-K77 PolarHBondContact O-N 3.39Å; D73-K77 WeakPolarHBondContact OD1-CE 3.48Å; D73-K77 WeakPolarHBondContact OD2-CE 3.42Å; L74-K77 PolarHBondContact O-N 3.23Å; K77-K79 PolarHBondContact O-N 2.82Å; K77-F80 PolarHBondContact O-N 3.32Å; K77-H81 PolarHBondContact O-CD2 3.03Å; K77-H81 PolarHBondContact O-N 2.94Å
78L90.1Very high86.3Confident0 Ų062.1 Ų62.10%034%0.335CS..Hα-helixtrans-56.7-49175.1-75.2170000111.7V2 M20 F23 Y29 M31 F56 L74 M75 A82V2-L78 HydrophobicContact CG2-CD2 4.36Å; M20-L78 HydrophobicContact CG-CD1 4.23Å; F23-L78 HydrophobicContact CB-CD1 4.11Å; F23-L78 HydrophobicContact CD1-CB 4.01Å; F23-L78 HydrophobicContact CD1-CD1 4.23Å; F23-L78 HydrophobicContact CD1-CD2 4.15Å; F23-L78 HydrophobicContact CD1-CG 4.37Å; F23-L78 HydrophobicContact CD2-CB 4.13Å; F23-L78 HydrophobicContact CD2-CD1 4.43Å; F23-L78 HydrophobicContact CE1-CB 3.83Å; F23-L78 HydrophobicContact CE1-CD2 4.37Å; F23-L78 HydrophobicContact CE2-CB 3.95Å; F23-L78 HydrophobicContact CG-CB 4.15Å; F23-L78 HydrophobicContact CG-CD1 4Å; F23-L78 HydrophobicContact CZ-CB 3.79Å; F23-L78 WeakPolarHBondContact CZ-O 3.43Å; Y29-L78 HydrophobicContact CD1-CD2 4.44Å; Y29-L78 HydrophobicContact CE1-CD2 4.07Å; M31-L78 HydrophobicContact CE-CD2 3.66Å; F56-L78 HydrophobicContact CE1-CD2 3.96Å; F56-L78 HydrophobicContact CE1-CG 4.35Å; F56-L78 HydrophobicContact CZ-CD2 4.33Å; F56-L78 HydrophobicContact CZ-CG 4.39Å; L74-L78 HydrophobicContact CD1-CD1 3.88Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CG-CD1 3.84Å; L74-L78 HydrophobicContact CG-CG 4.48Å; L74-L78 WeakPolarHBondContact O-CB 3.22Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 3Å; M75-L78 HydrophobicContact SD-CD1 4.32Å; L78-A82 WeakPolarHBondContact O-CB 3.43Å; L78-A82 PolarHBondContact O-N 3.41Å
79K86.6Confident85.2Confident40 Ų4063 Ų6317%0.17434%0.336CS..Hα-helixtrans-63.4-43.2177.8-72.2176.2-178.4-154.70112.7F23 M75 N76 K77 A82 K83 D91 N94F23-K79 HydrophobicContact CE2-CG 3.78Å; F23-K79 HydrophobicContact CZ-CG 4.41Å; M75-K79 WeakPolarHBondContact O-CB 3.32Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.48Å; M75-K79 PolarHBondContact O-N 3.49Å; N76-K79 PolarHBondContact O-N 2.88Å; K77-K79 PolarHBondContact O-N 2.82Å; K79-A82 PolarHBondContact O-N 2.94Å; K79-K83 WeakPolarHBondContact O-CB 3.43Å; K79-K83 PolarHBondContact O-N 3.29Å; K79-D91 WeakPolarHBondContact CD-OD2 3.29Å; K79-D91 WeakPolarHBondContact CE-OD2 3.37Å; K79-D91 IonicContact NZ-OD1 2.76Å; K79-D91 IonicContact NZ-OD2 3.97Å; K79-D91 PolarHBondContact NZ-OD2 3.14Å; K79-N94 PolarHBondContact NZ-ND2 3.35Å; K79-N94 VanDerWaalsContact NZ-ND2 3.14Å
80F86.7Confident83.8Confident121 Ų12162 Ų6253%0.53134%0.335SS..Hα-helixtrans-61.2-52.8-179.9177.4-98.5000111.3N76 K77 A82 K83 L84N76-F80 VanDerWaalsContact O-CB 3.32Å; N76-F80 WeakPolarHBondContact O-CB 3.41Å; N76-F80 PolarHBondContact O-N 2.96Å; K77-F80 PolarHBondContact O-N 3.32Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.87Å; F80-K83 PolarHBondContact O-N 3.21Å; F80-L84 HydrophobicContact CD1-CD1 3.84Å; F80-L84 HydrophobicContact CE1-CD1 3.26Å; F80-L84 HydrophobicContact CE1-CG 4.28Å; F80-L84 HydrophobicContact CE2-CD1 4.3Å; F80-L84 HydrophobicContact CZ-CD1 3.54Å; F80-L84 HydrophobicContact CZ-CG 4.32Å; F80-L84 WeakPolarHBondContact O-CG 3.49Å; F80-L84 PolarHBondContact O-N 3.11Å; F80-L84 VanDerWaalsContact O-N 3.08Å
81H88.1Confident82.5Confident7 Ų759.8 Ų59.83%0.03232%0.323CS..Hα-helixtrans-66.7-35.8179.5-70.8-63.1000111.9Y29 F56 I63 D64 K77 K83 L84 Y85Y29-H81 VanDerWaalsContact OH-C 3.23Å; Y29-H81 WeakPolarHBondContact OH-CB 3.27Å; F56-H81 HydrophobicContact CD1-CB 4.16Å; F56-H81 AromaticContact CD1-CD2 3.3Å; F56-H81 WeakPolarHBondContact CD1-CD2 3.26Å; F56-H81 AromaticContact CD1-CG 3.84Å; F56-H81 AromaticContact CE1-CD2 3.7Å; F56-H81 AromaticContact CG-CD2 3.71Å; I63-H81 WeakPolarHBondContact CD1-ND1 3.24Å; D64-H81 WeakPolarHBondContact CB-NE2 3.16Å; D64-H81 IonicContact OD2-CD2 2.7Å; D64-H81 IonicContact OD2-CE1 2.7Å; D64-H81 IonicContact OD2-NE2 3.7Å; D64-H81 PolarHBondContact OD2-NE2 3.35Å; K77-H81 PolarHBondContact O-CD2 3.03Å; K77-H81 PolarHBondContact O-N 2.94Å; H81-K83 PolarHBondContact O-N 3.07Å; H81-L84 PolarHBondContact O-N 3.38Å; H81-Y85 HydrophobicContact CB-CD2 4.21Å; H81-Y85 HydrophobicContact CB-CE2 4.33Å; H81-Y85 AromaticContact ND1-CE2 3.55Å; H81-Y85 WeakPolarHBondContact O-CD2 3.36Å; H81-Y85 PolarHBondContact O-N 3.35Å
82A83.7Confident81Confident0 Ų059.5 Ų59.50%032%0.324CS..Hα-helixtrans-63-43.5174.700000111.9F23 Y29 L78 K79 F80 L84 M86 F89F23-A82 HydrophobicContact CE1-CB 4.15Å; F23-A82 HydrophobicContact CZ-CB 3.88Å; Y29-A82 HydrophobicContact CD2-CB 4.35Å; Y29-A82 HydrophobicContact CE2-CB 3.53Å; Y29-A82 PolarHBondContact OH-N 3.39Å; L78-A82 WeakPolarHBondContact O-CB 3.43Å; L78-A82 PolarHBondContact O-N 3.41Å; K79-A82 PolarHBondContact O-N 2.94Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.87Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 3.1Å; A82-M86 HydrophobicContact CB-SD 4.46Å; A82-M86 VanDerWaalsContact O-CB 3.24Å; A82-M86 WeakPolarHBondContact O-CB 3.24Å; A82-M86 PolarHBondContact O-N 3.43Å; A82-F89 HydrophobicContact CB-CB 4.45Å; A82-F89 HydrophobicContact CB-CD1 3.63Å; A82-F89 HydrophobicContact CB-CD2 3.63Å; A82-F89 HydrophobicContact CB-CE1 3.65Å; A82-F89 HydrophobicContact CB-CE2 3.63Å; A82-F89 HydrophobicContact CB-CG 3.63Å; A82-F89 HydrophobicContact CB-CZ 3.65Å
83K81.4Confident79.6Confident165 Ų16561.7 Ų61.772%0.71733%0.33SS*.Hα-helixtrans-63.9-33.4176.6-170.1176.4179.8-1770113.2K79 F80 H81 F89K79-K83 WeakPolarHBondContact O-CB 3.43Å; K79-K83 PolarHBondContact O-N 3.29Å; F80-K83 PolarHBondContact O-N 3.21Å; H81-K83 PolarHBondContact O-N 3.07Å; K83-F89 HydrophobicContact CB-CD1 4.19Å
84L82.5Confident78.7Confident100 Ų10060.8 Ų60.852%0.52433%0.326SS..Hα-helixtrans-74.1-44.5179.1-74.1178.1000112.9F80 H81 A82F80-L84 HydrophobicContact CD1-CD1 3.84Å; F80-L84 HydrophobicContact CE1-CD1 3.26Å; F80-L84 HydrophobicContact CE1-CG 4.28Å; F80-L84 HydrophobicContact CE2-CD1 4.3Å; F80-L84 HydrophobicContact CZ-CD1 3.54Å; F80-L84 HydrophobicContact CZ-CG 4.32Å; F80-L84 WeakPolarHBondContact O-CG 3.49Å; F80-L84 PolarHBondContact O-N 3.11Å; F80-L84 VanDerWaalsContact O-N 3.08Å; H81-L84 PolarHBondContact O-N 3.38Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 3.1Å
85Y78.9Confident78.2Confident94 Ų9463.7 Ų63.737%0.36934%0.341SS..Hα-helixtrans-105.2-7.1-166.6-58.4-62.5000114.4E58 I63 H81E58-Y85 HydrophobicContact CG-CE1 4.26Å; E58-Y85 WeakPolarHBondContact OE1-CD1 3.22Å; E58-Y85 WeakPolarHBondContact OE1-CE1 3.42Å; E58-Y85 WeakPolarHBondContact OE2-CE1 3.37Å; E58-Y85 VanDerWaalsContact OE2-CZ 3.23Å; E58-Y85 PolarHBondContact OE2-OH 3.23Å; I63-Y85 HydrophobicContact CD1-CD2 4.46Å; I63-Y85 HydrophobicContact CD1-CE2 3.43Å; I63-Y85 VanDerWaalsContact CD1-CE2 3.43Å; I63-Y85 WeakPolarHBondContact CD1-OH 3.41Å; H81-Y85 HydrophobicContact CB-CD2 4.21Å; H81-Y85 HydrophobicContact CB-CE2 4.33Å; H81-Y85 AromaticContact ND1-CE2 3.55Å; H81-Y85 WeakPolarHBondContact O-CD2 3.36Å; H81-Y85 PolarHBondContact O-N 3.35Å
86M74.9Confident78Confident26 Ų2665.3 Ų65.313%0.12835%0.348CS..SBendtrans-122.994.3179.7-54.4-178.483.600109.7D27 R28 Y29 A82 G88 F89D27-M86 HydrophobicContact CB-CE 4.34Å; R28-M86 VanDerWaalsContact C-CE 3.45Å; R28-M86 HydrophobicContact CB-CE 3.53Å; R28-M86 WeakPolarHBondContact O-CE 3.48Å; Y29-M86 HydrophobicContact CD2-CE 4.37Å; Y29-M86 HydrophobicContact CD2-SD 3.31Å; Y29-M86 WeakPolarHBondContact CD2-SD 3.29Å; Y29-M86 HydrophobicContact CE2-CG 4.4Å; Y29-M86 HydrophobicContact CE2-SD 3.45Å; Y29-M86 WeakPolarHBondContact CE2-SD 3.36Å; A82-M86 HydrophobicContact CB-SD 4.46Å; A82-M86 VanDerWaalsContact O-CB 3.24Å; A82-M86 WeakPolarHBondContact O-CB 3.24Å; A82-M86 PolarHBondContact O-N 3.43Å; M86-G88 PolarHBondContact O-N 3.05Å; M86-G88 VanDerWaalsContact O-N 3.16Å; M86-F89 HydrophobicContact CB-CB 3.92Å; M86-F89 WeakPolarHBondContact O-CB 3.35Å; M86-F89 PolarHBondContact O-N 3.42Å
87P69.9Low77.7Confident122 Ų12262 Ų6279%0.79233%0.331SS*.THydrogen-bonded Turntrans-55.7122.8172.6-21.431.4000109.7
88G67.4Low77.5Confident76 Ų7665 Ų6578%0.78434%0.342SS*.THydrogen-bonded Turntrans88.23.6-176.700000115.2M86 D90M86-G88 PolarHBondContact O-N 3.05Å; M86-G88 VanDerWaalsContact O-N 3.16Å; G88-D90 PolarHBondContact O-N 3.09Å
89F72.3Confident77.7Confident26 Ų2665.2 Ų65.211%0.11434%0.343CS..  trans-58.1110.1164.6173.2-100.9000108.8F23 D27 A82 K83 M86 D91F23-F89 HydrophobicContact CE1-CE2 4.4Å; F23-F89 HydrophobicContact CE2-CE2 4.32Å; F23-F89 AromaticContact CE2-CZ 3.9Å; F23-F89 HydrophobicContact CE2-CZ 3.9Å; F23-F89 AromaticContact CZ-CE2 3.74Å; F23-F89 HydrophobicContact CZ-CE2 3.74Å; F23-F89 AromaticContact CZ-CZ 3.53Å; F23-F89 HydrophobicContact CZ-CZ 3.53Å; D27-F89 HydrophobicContact CB-CD2 4.35Å; D27-F89 WeakPolarHBondContact OD2-CD2 3Å; D27-F89 WeakPolarHBondContact OD2-CE2 3.49Å; A82-F89 HydrophobicContact CB-CB 4.45Å; A82-F89 HydrophobicContact CB-CD1 3.63Å; A82-F89 HydrophobicContact CB-CD2 3.63Å; A82-F89 HydrophobicContact CB-CE1 3.65Å; A82-F89 HydrophobicContact CB-CE2 3.63Å; A82-F89 HydrophobicContact CB-CG 3.63Å; A82-F89 HydrophobicContact CB-CZ 3.65Å; K83-F89 HydrophobicContact CB-CD1 4.19Å; M86-F89 HydrophobicContact CB-CB 3.92Å; M86-F89 WeakPolarHBondContact O-CB 3.35Å; M86-F89 PolarHBondContact O-N 3.42Å; F89-D91 HydrophobicContact CE1-CB 3.79Å; F89-D91 HydrophobicContact CZ-CB 3.88Å
90D65.4Low77.9Confident85 Ų8569.9 Ų69.946%0.45536%0.359SS..  trans-11893.2-178.7-170.616.5000110.1G88 S92G88-D90 PolarHBondContact O-N 3.09Å; D90-S92 VanDerWaalsContact CG-CB 3.49Å; D90-S92 PolarHBondContact O-N 2.89Å; D90-S92 WeakPolarHBondContact OD1-CA 3.13Å; D90-S92 WeakPolarHBondContact OD1-CB 3.41Å; D90-S92 PolarHBondContact OD1-N 2.75Å; D90-S92 PolarHBondContact OD1-OG 2.77Å; D90-S92 VanDerWaalsContact OD1-OG 3.09Å; D90-S92 WeakPolarHBondContact OD2-CB 3.15Å; D90-S92 PolarHBondContact OD2-OG 2.55Å
91D67.9Low78.2Confident27 Ų2769.7 Ų69.714%0.14436%0.358CS..G310 helixtrans-69.79.3168.7-169.256.2000112K79 F89 N93 N94 T97K79-D91 WeakPolarHBondContact CD-OD2 3.29Å; K79-D91 WeakPolarHBondContact CE-OD2 3.37Å; K79-D91 IonicContact NZ-OD1 2.76Å; K79-D91 IonicContact NZ-OD2 3.97Å; K79-D91 PolarHBondContact NZ-OD2 3.14Å; F89-D91 HydrophobicContact CE1-CB 3.79Å; F89-D91 HydrophobicContact CZ-CB 3.88Å; D91-N93 PolarHBondContact O-N 3.15Å; D91-N94 WeakPolarHBondContact O-CB 3.33Å; D91-N94 PolarHBondContact O-N 3.29Å; D91-N94 VanDerWaalsContact OD1-CB 3.26Å; D91-N94 WeakPolarHBondContact OD1-CB 3.48Å; D91-T97 WeakPolarHBondContact O-CB 3.37Å; D91-T97 PolarHBondContact OD2-OG1 3.01Å
92S59.2Low78.5Confident34 Ų3470.8 Ų70.824%0.23836%0.364CS..G310 helixtrans-61-25.9170.877.30000112.8D90 N94D90-S92 VanDerWaalsContact CG-CB 3.49Å; D90-S92 PolarHBondContact O-N 2.89Å; D90-S92 WeakPolarHBondContact OD1-CA 3.13Å; D90-S92 WeakPolarHBondContact OD1-CB 3.41Å; D90-S92 PolarHBondContact OD1-N 2.75Å; D90-S92 PolarHBondContact OD1-OG 2.77Å; D90-S92 VanDerWaalsContact OD1-OG 3.09Å; D90-S92 WeakPolarHBondContact OD2-CB 3.15Å; D90-S92 PolarHBondContact OD2-OG 2.55Å; S92-N94 PolarHBondContact O-N 2.99Å; S92-N94 VanDerWaalsContact O-N 3.15Å
93N59.6Low79.1Confident133 Ų13371.2 Ų71.271%0.71137%0.366SS*.G310 helixtrans-66.6-7.3170.7-77.3-22.5000112.9R26 D91R26-N93 PolarHBondContact NH1-O 2.92Å; D91-N93 PolarHBondContact O-N 3.15Å
94N74.3Confident79.7Confident35 Ų3567 Ų6719%0.18736%0.357CS..SBendtrans-82.3118.2166-169.5-35.2000109.5K79 D91 S92 E96 T97 R98K79-N94 PolarHBondContact NZ-ND2 3.35Å; K79-N94 VanDerWaalsContact NZ-ND2 3.14Å; D91-N94 WeakPolarHBondContact O-CB 3.33Å; D91-N94 PolarHBondContact O-N 3.29Å; D91-N94 VanDerWaalsContact OD1-CB 3.26Å; D91-N94 WeakPolarHBondContact OD1-CB 3.48Å; S92-N94 PolarHBondContact O-N 2.99Å; S92-N94 VanDerWaalsContact O-N 3.15Å; N94-E96 PolarHBondContact O-N 3.36Å; N94-E96 WeakPolarHBondContact OD1-CB 3.26Å; N94-E96 PolarHBondContact OD1-N 3.47Å; N94-T97 WeakPolarHBondContact O-CB 3.4Å; N94-T97 PolarHBondContact O-N 3.05Å; N94-R98 PolarHBondContact O-N 3.05Å
95L83.3Confident80.4Confident60 Ų6065.7 Ų65.731%0.31436%0.357SS..Hα-helixtrans-50.6-43.7178179.858.5000111.5T97 R98 L99 D148L95-T97 PolarHBondContact O-N 2.75Å; L95-R98 WeakPolarHBondContact O-CB 3.2Å; L95-R98 PolarHBondContact O-N 3.2Å; L95-L99 HydrophobicContact CD1-CD1 4.41Å; L95-L99 HydrophobicContact CD1-CD2 4.21Å; L95-L99 HydrophobicContact CD1-CG 4.02Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.92Å; L95-D148 HydrophobicContact CD1-CB 3.89Å; L95-D148 HydrophobicContact CD2-CB 4.36Å
96E84.6Confident81.2Confident85 Ų8562.5 Ų62.540%0.39735%0.348SS..Hα-helixtrans-61.7-44.1-179.9-169.8-174151.800112.2N94 R98 L99 R100 L156N94-E96 PolarHBondContact O-N 3.36Å; N94-E96 WeakPolarHBondContact OD1-CB 3.26Å; N94-E96 PolarHBondContact OD1-N 3.47Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.29Å; E96-L99 PolarHBondContact O-N 3.2Å; E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 3.45Å; E96-R100 IonicContact OE1-CZ 3.64Å; E96-R100 VanDerWaalsContact OE1-CZ 3.28Å; E96-R100 IonicContact OE1-NE 3.3Å; E96-R100 PolarHBondContact OE1-NE 2.95Å; E96-R100 IonicContact OE1-NH2 2.95Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å; E96-L156 HydrophobicContact CG-CD1 4.06Å
97T83.3Confident82.2Confident32 Ų3266.3 Ų66.320%0.19636%0.364CS..Hα-helixtrans-62.3-43176.5-590000110.7D91 N94 L95 R100 K101D91-T97 WeakPolarHBondContact O-CB 3.37Å; D91-T97 PolarHBondContact OD2-OG1 3.01Å; N94-T97 WeakPolarHBondContact O-CB 3.4Å; N94-T97 PolarHBondContact O-N 3.05Å; L95-T97 PolarHBondContact O-N 2.75Å; T97-R100 PolarHBondContact O-N 2.81Å; T97-K101 WeakPolarHBondContact O-CG 3.3Å; T97-K101 PolarHBondContact O-N 3.41Å
98R88.2Confident83.5Confident97 Ų9760.7 Ų60.737%0.36633%0.327SS..Hα-helixtrans-59.9-46.7174.7-176.6-178.7-178.6-145.7-5.2111.7N94 L95 E96 K101 L102 D146N94-R98 PolarHBondContact O-N 3.05Å; L95-R98 WeakPolarHBondContact O-CB 3.2Å; L95-R98 PolarHBondContact O-N 3.2Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.29Å; R98-K101 PolarHBondContact O-N 3.13Å; R98-L102 WeakPolarHBondContact O-CB 3.38Å; R98-L102 PolarHBondContact O-N 3.42Å; R98-D146 IonicContact CZ-OD2 3.31Å; R98-D146 IonicContact NH1-OD1 2.82Å; R98-D146 IonicContact NH1-OD2 2.72Å; R98-D146 PolarHBondContact NH1-OD2 2.6Å; R98-D146 IonicContact NH2-OD2 3.01Å; R98-D146 PolarHBondContact NH2-OD2 2.81Å
99L93.2Very high85Confident4 Ų457.4 Ų57.42%0.02129%0.292CS..Hα-helixtrans-61.6-47.5178.3-70.2178.5000111.7L95 E96 K101 L102 I103 V149 L153 L156L95-L99 HydrophobicContact CD1-CD1 4.41Å; L95-L99 HydrophobicContact CD1-CD2 4.21Å; L95-L99 HydrophobicContact CD1-CG 4.02Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.92Å; E96-L99 PolarHBondContact O-N 3.2Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.07Å; L99-L102 PolarHBondContact O-N 3.06Å; L99-L102 VanDerWaalsContact O-N 3.13Å; L99-I103 WeakPolarHBondContact O-CB 3.46Å; L99-I103 WeakPolarHBondContact O-CD1 3.36Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3Å; L99-V149 HydrophobicContact CD2-CB 4.13Å; L99-V149 HydrophobicContact CD2-CG1 3.94Å; L99-V149 HydrophobicContact CD2-CG2 4.14Å; L99-L153 HydrophobicContact CB-CD2 4.24Å; L99-L153 HydrophobicContact CD2-CD1 4.47Å; L99-L153 HydrophobicContact CD2-CD2 3.83Å; L99-L153 HydrophobicContact CD2-CG 3.63Å; L99-L153 HydrophobicContact CG-CD2 4.41Å; L99-L156 HydrophobicContact CB-CD2 3.63Å; L99-L156 HydrophobicContact CD1-CB 4.18Å; L99-L156 HydrophobicContact CD1-CD2 3.92Å; L99-L156 HydrophobicContact CG-CD2 4.46Å
100R91.9Very high86.2Confident138 Ų13856.2 Ų56.252%0.52129%0.286SS..Hα-helixtrans-61.1-43.7179.3-71.7-179-174.1-72.71111.7E96 T97 L102 I103 S104 L156E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 3.45Å; E96-R100 IonicContact OE1-CZ 3.64Å; E96-R100 VanDerWaalsContact OE1-CZ 3.28Å; E96-R100 IonicContact OE1-NE 3.3Å; E96-R100 PolarHBondContact OE1-NE 2.95Å; E96-R100 IonicContact OE1-NH2 2.95Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å; T97-R100 PolarHBondContact O-N 2.81Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.45Å; R100-I103 PolarHBondContact O-N 2.96Å; R100-S104 PolarHBondContact O-N 3.46Å; R100-S104 PolarHBondContact O-OG 2.82Å; R100-L156 HydrophobicContact CG-CD2 4.21Å
101K91.7Very high87.8Confident117 Ų11752.1 Ų52.151%0.50927%0.265SS..Hα-helixtrans-60.5-40.6173.9-75.4178.6178.3178.90112T97 R98 L99 S104 S105T97-K101 WeakPolarHBondContact O-CG 3.3Å; T97-K101 PolarHBondContact O-N 3.41Å; R98-K101 PolarHBondContact O-N 3.13Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.07Å; K101-S104 PolarHBondContact O-N 3.49Å; K101-S104 PolarHBondContact O-OG 3.12Å; K101-S105 WeakPolarHBondContact O-CB 3.37Å; K101-S105 PolarHBondContact O-N 3.45Å; K101-S105 VanDerWaalsContact O-N 3.07Å
102L94.3Very high89.2Confident31 Ų3150.9 Ų50.916%0.16226%0.258CS..Hα-helixtrans-70.3-43.3-179.2-170.759.3000111.6R98 L99 R100 S104 S105 F111 F141 V149R98-L102 WeakPolarHBondContact O-CB 3.38Å; R98-L102 PolarHBondContact O-N 3.42Å; L99-L102 PolarHBondContact O-N 3.06Å; L99-L102 VanDerWaalsContact O-N 3.13Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.45Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 2.92Å; L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 2.83Å; L102-S105 PolarHBondContact O-OG 3.45Å; L102-F111 HydrophobicContact CB-CZ 4.41Å; L102-F111 HydrophobicContact CD2-CE1 3.63Å; L102-F111 HydrophobicContact CD2-CZ 4.25Å; L102-F111 HydrophobicContact CG-CE1 3.7Å; L102-F111 HydrophobicContact CG-CZ 3.87Å; L102-F141 HydrophobicContact CD1-CD2 3.76Å; L102-F141 HydrophobicContact CD1-CE2 4.12Å; L102-F141 HydrophobicContact CD1-CG 4.49Å; L102-F141 HydrophobicContact CD2-CD1 4.23Å; L102-F141 HydrophobicContact CD2-CD2 3.68Å; L102-F141 HydrophobicContact CD2-CE1 4.22Å; L102-F141 HydrophobicContact CD2-CE2 3.65Å; L102-F141 HydrophobicContact CD2-CG 3.96Å; L102-F141 HydrophobicContact CD2-CZ 3.93Å; L102-F141 HydrophobicContact CG-CD2 4.18Å; L102-F141 HydrophobicContact CG-CE2 4.5Å; L102-V149 HydrophobicContact CD2-CG1 3.75Å; L102-V149 HydrophobicContact CD2-CG2 3.98Å
103I96.4Very high91.1Very high9 Ų952.1 Ų52.15%0.04626%0.259CS..Hα-helixtrans-57.4-39.9174.2-76.2161.3000111.3L99 R100 F111 L153 L156 Y166 G169L99-I103 WeakPolarHBondContact O-CB 3.46Å; L99-I103 WeakPolarHBondContact O-CD1 3.36Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3Å; R100-I103 PolarHBondContact O-N 2.96Å; I103-F111 HydrophobicContact CG1-CE2 3.83Å; I103-F111 HydrophobicContact CG1-CZ 3.91Å; I103-L153 HydrophobicContact CD1-CD2 3.38Å; I103-L153 HydrophobicContact CG1-CD2 3.58Å; I103-L156 HydrophobicContact CD1-CD2 3.7Å; I103-Y166 HydrophobicContact CB-CD1 4.37Å; I103-Y166 HydrophobicContact CD1-CD1 4.49Å; I103-Y166 HydrophobicContact CD1-CE1 3.9Å; I103-Y166 HydrophobicContact CG1-CD1 4.14Å; I103-Y166 HydrophobicContact CG1-CE1 3.9Å; I103-Y166 HydrophobicContact CG1-CE2 4.48Å; I103-Y166 HydrophobicContact CG2-CD1 3.38Å; I103-Y166 HydrophobicContact CG2-CE1 3.89Å; I103-Y166 HydrophobicContact CG2-CG 3.88Å; I103-G169 VanDerWaalsContact CG2-CA 3.43Å; I103-G169 WeakPolarHBondContact CG2-O 3.36Å
104S94.9Very high92.9Very high75 Ų7545.9 Ų45.952%0.52423%0.226SC..THydrogen-bonded Turntrans-94.69.9-179.765.60000114.8R100 K101 L102 S106R100-S104 PolarHBondContact O-N 3.46Å; R100-S104 PolarHBondContact O-OG 2.82Å; K101-S104 PolarHBondContact O-N 3.49Å; K101-S104 PolarHBondContact O-OG 3.12Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 2.92Å; S104-S106 PolarHBondContact O-N 2.83Å
105S96Very high93.9Very high74 Ų7446.2 Ų46.252%0.51723%0.23SC..SBendtrans-70.6-18.7-176.563.80000113.8K101 L102K101-S105 WeakPolarHBondContact O-CB 3.37Å; K101-S105 PolarHBondContact O-N 3.45Å; K101-S105 VanDerWaalsContact O-N 3.07Å; L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 2.83Å; L102-S105 PolarHBondContact O-OG 3.45Å
106S96Very high94.4Very high26 Ų2646.4 Ų46.418%0.18223%0.228CC..SBendtrans-143.9159.5174.166.70000110.2S104 I108 M109S104-S106 PolarHBondContact O-N 2.83Å; S106-I108 VanDerWaalsContact C-N 3.31Å; S106-I108 PolarHBondContact O-N 3.49Å; S106-I108 PolarHBondContact OG-O 3.46Å; S106-I108 VanDerWaalsContact OG-O 3.05Å; S106-M109 WeakPolarHBondContact OG-CA 3.34Å; S106-M109 WeakPolarHBondContact OG-CB 3.2Å; S106-M109 PolarHBondContact OG-SD 3.49Å
107K96.1Very high94.8Very high106 Ų10648.8 Ų48.846%0.46124%0.239SC..SBendtrans-57.7-46.1177.8179.4175.1179.5174.70111.3V167 D168 Q192K107-V167 CarbonylContact O-C 3.53Å; K107-V167 VanDerWaalsContact O-CA 3.23Å; K107-V167 WeakPolarHBondContact O-CA 3.47Å; K107-D168 PolarHBondContact O-N 3.27Å; K107-Q192 PolarHBondContact NZ-O 2.86Å
108I97.5Very high95.4Very high5 Ų554.2 Ų54.23%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-120.7107.5175.7-55175.7000107.4S106 V136 Y138 E139 V165 Y166 V167 L191 Q192S106-I108 VanDerWaalsContact C-N 3.31Å; S106-I108 PolarHBondContact O-N 3.49Å; S106-I108 PolarHBondContact OG-O 3.46Å; S106-I108 VanDerWaalsContact OG-O 3.05Å; I108-V136 HydrophobicContact CD1-CG1 3.46Å; I108-V136 VanDerWaalsContact CD1-CG1 3.46Å; I108-Y138 WeakPolarHBondContact O-CA 3.31Å; I108-Y138 WeakPolarHBondContact O-CB 3.48Å; I108-E139 PolarHBondContact O-N 2.87Å; I108-V165 HydrophobicContact CG2-CG1 4.22Å; I108-Y166 CarbonylContact C-O 3.52Å; I108-Y166 VanDerWaalsContact CA-O 3.31Å; I108-Y166 WeakPolarHBondContact CA-O 3.43Å; I108-V167 HydrophobicContact CG1-CG2 4.36Å; I108-L191 HydrophobicContact CD1-CB 3.86Å; I108-L191 WeakPolarHBondContact CD1-O 3.5Å; I108-Q192 HydrophobicContact CD1-CG 4.21Å
109M98.1Very high95.7Very high7 Ų750.3 Ų50.33%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-111.3125.3-177.3-16762.4-164.600110.6S106 F111 E139 F141 Y166S106-M109 WeakPolarHBondContact OG-CA 3.34Å; S106-M109 WeakPolarHBondContact OG-CB 3.2Å; S106-M109 PolarHBondContact OG-SD 3.49Å; M109-F111 HydrophobicContact CB-CE2 4.42Å; M109-F111 HydrophobicContact CG-CD2 4.44Å; M109-F111 HydrophobicContact CG-CE2 3.75Å; M109-F111 HydrophobicContact CG-CZ 3.93Å; M109-E139 HydrophobicContact SD-CB 3.93Å; M109-F141 HydrophobicContact CE-CB 3.43Å; M109-F141 VanDerWaalsContact CE-CB 3.43Å; M109-Y166 PolarHBondContact N-O 3.47Å; M109-Y166 PolarHBondContact O-N 3.38Å
110V98.5Very high95.8Very high0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans-115.3115.8-177.4179.50000110.6M112 L127 L131 Y138 E139 T140 F141 P163 Q164 V165V110-M112 HydrophobicContact CG1-CB 4.14Å; V110-M112 HydrophobicContact CG1-CG 4.25Å; V110-M112 HydrophobicContact CG1-SD 4.16Å; V110-L127 HydrophobicContact CG1-CD2 3.53Å; V110-L131 HydrophobicContact CG2-CD1 3.93Å; V110-Y138 HydrophobicContact CB-CD2 4.06Å; V110-Y138 HydrophobicContact CG2-CD2 3.56Å; V110-Y138 HydrophobicContact CG2-CE2 4.27Å; V110-Y138 HydrophobicContact CG2-CG 4.12Å; V110-E139 PolarHBondContact N-O 2.87Å; V110-T140 HydrophobicContact CB-CG2 4.27Å; V110-T140 CarbonylContact O-C 3.37Å; V110-T140 VanDerWaalsContact O-CA 3.23Å; V110-T140 WeakPolarHBondContact O-CA 3.45Å; V110-F141 PolarHBondContact O-N 3.2Å; V110-P163 HydrophobicContact CG1-CB 4.48Å; V110-Q164 WeakPolarHBondContact CA-O 3.32Å; V110-V165 HydrophobicContact CG2-CG1 4.36Å; V110-V165 HydrophobicContact CG2-CG2 4.25Å
111F98.7Very high96.1Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-91.4116.5172.3-64.7-87.7000109.1L102 I103 M109 F141 V143 V149 L153 Y162 P163 Q164 Y166L102-F111 HydrophobicContact CB-CZ 4.41Å; L102-F111 HydrophobicContact CD2-CE1 3.63Å; L102-F111 HydrophobicContact CD2-CZ 4.25Å; L102-F111 HydrophobicContact CG-CE1 3.7Å; L102-F111 HydrophobicContact CG-CZ 3.87Å; I103-F111 HydrophobicContact CG1-CE2 3.83Å; I103-F111 HydrophobicContact CG1-CZ 3.91Å; M109-F111 HydrophobicContact CB-CE2 4.42Å; M109-F111 HydrophobicContact CG-CD2 4.44Å; M109-F111 HydrophobicContact CG-CE2 3.75Å; M109-F111 HydrophobicContact CG-CZ 3.93Å; F111-F141 HydrophobicContact CD1-CB 3.67Å; F111-F141 AromaticContact CD1-CD1 3.88Å; F111-F141 HydrophobicContact CD1-CD1 3.88Å; F111-F141 HydrophobicContact CD1-CG 4.06Å; F111-F141 HydrophobicContact CE1-CB 3.78Å; F111-F141 HydrophobicContact CE1-CD1 4.13Å; F111-F141 HydrophobicContact CE1-CG 4.03Å; F111-V143 HydrophobicContact CB-CG1 3.84Å; F111-V143 HydrophobicContact CD1-CG1 4.13Å; F111-V143 HydrophobicContact CG-CG1 4.49Å; F111-V149 HydrophobicContact CD1-CG1 4.39Å; F111-V149 HydrophobicContact CE1-CG1 4.25Å; F111-L153 HydrophobicContact CB-CD1 4.14Å; F111-L153 HydrophobicContact CD1-CD1 3.13Å; F111-L153 HydrophobicContact CD2-CD1 3.94Å; F111-L153 HydrophobicContact CE1-CD1 3.34Å; F111-L153 HydrophobicContact CE2-CD1 4.1Å; F111-L153 HydrophobicContact CG-CD1 3.45Å; F111-L153 VanDerWaalsContact CG-CD1 3.45Å; F111-L153 HydrophobicContact CZ-CD1 3.81Å; F111-L153 HydrophobicContact CZ-CD2 4.39Å; F111-Y162 HydrophobicContact CB-CD1 4.02Å; F111-Y162 HydrophobicContact CB-CE1 3.75Å; F111-Y162 WeakPolarHBondContact O-CD1 3.24Å; F111-P163 CarbonylContact O-C 3.59Å; F111-P163 WeakPolarHBondContact O-CA 3.26Å; F111-Q164 HydrophobicContact CB-CB 4.39Å; F111-Q164 PolarHBondContact N-O 2.93Å; F111-Q164 PolarHBondContact O-N 2.72Å; F111-Y166 AromaticContact CD2-CD2 3.57Å; F111-Y166 HydrophobicContact CD2-CD2 3.57Å; F111-Y166 AromaticContact CD2-CE2 3.41Å; F111-Y166 HydrophobicContact CD2-CE2 3.41Å; F111-Y166 VanDerWaalsContact CD2-CE2 3.41Å; F111-Y166 AromaticContact CE2-CD2 3.63Å; F111-Y166 HydrophobicContact CE2-CD2 3.63Å; F111-Y166 AromaticContact CE2-CE2 3.66Å; F111-Y166 HydrophobicContact CE2-CE2 3.66Å; F111-Y166 HydrophobicContact CE2-CG 4.44Å
112M98.4Very high96.3Very high0 Ų051.6 Ų51.60%027%0.267CS..EExtended strand (participates in β ladder)trans-146.2170.5-170.661.9177.6-74.500112.4V110 T115 A119 V128 T140 F141 N142 V143 P163V110-M112 HydrophobicContact CG1-CB 4.14Å; V110-M112 HydrophobicContact CG1-CG 4.25Å; V110-M112 HydrophobicContact CG1-SD 4.16Å; M112-T115 WeakPolarHBondContact CE-O 3.36Å; M112-A119 HydrophobicContact CE-CB 3.81Å; M112-V128 HydrophobicContact CE-CG2 3.49Å; M112-V128 VanDerWaalsContact CE-CG2 3.49Å; M112-V128 HydrophobicContact SD-CG2 3.8Å; M112-T140 HydrophobicContact CG-CG2 4.3Å; M112-T140 HydrophobicContact SD-CG2 3.49Å; M112-T140 WeakPolarHBondContact SD-CG2 3.49Å; M112-F141 PolarHBondContact N-O 3.04Å; M112-N142 WeakPolarHBondContact O-CA 3.36Å; M112-V143 PolarHBondContact O-N 3.05Å; M112-P163 HydrophobicContact CB-CB 4.05Å
113K98.1Very high96.5Very high60 Ų6054.7 Ų54.726%0.26128%0.28SS..SBendtrans-93.5109.9175.9-65.8176.5-179.5178.30109L120 C121 S124 V143 L144K113-L120 PolarHBondContact O-N 2.88Å; K113-C121 HydrophobicContact CB-CB 3.69Å; K113-C121 HydrophobicContact CD-CB 3.75Å; K113-C121 HydrophobicContact CG-CB 4.29Å; K113-S124 PolarHBondContact N-OG 3.43Å; K113-V143 HydrophobicContact CG-CG2 4.2Å; K113-L144 HydrophobicContact CB-CD1 3.9Å; K113-L144 HydrophobicContact CB-CG 4.12Å; K113-L144 HydrophobicContact CD-CD2 4.44Å; K113-L144 HydrophobicContact CG-CD1 4.35Å; K113-L144 HydrophobicContact CG-CD2 4.09Å; K113-L144 HydrophobicContact CG-CG 4.11Å
114G97Very high96.6Very high2 Ų254.3 Ų54.32%0.02128%0.277CS..BIsolated β-bridgetrans90.8-164.5-168.200000112.7Q118 N142G114-Q118 WeakPolarHBondContact CA-O 3.29Å; G114-N142 PolarHBondContact N-OD1 3.3Å
115T95.4Very high96.7Very high43 Ų4357.2 Ų57.226%0.26428%0.277SS..  trans-113172.6178.677.10000111.6M112 E117 Q118 A119M112-T115 WeakPolarHBondContact CE-O 3.36Å; T115-E117 WeakPolarHBondContact CB-OE2 3.4Å; T115-E117 PolarHBondContact O-N 2.69Å; T115-E117 PolarHBondContact OG1-N 3.4Å; T115-E117 PolarHBondContact OG1-OE2 3.21Å; T115-Q118 PolarHBondContact N-O 3.32Å; T115-Q118 CarbonylContact O-C 3.53Å; T115-Q118 PolarHBondContact O-N 3.38Å; T115-Q118 VanDerWaalsContact O-N 3.17Å; T115-Q118 PolarHBondContact OG1-N 2.86Å; T115-A119 PolarHBondContact O-N 3.07Å; T115-A119 VanDerWaalsContact O-N 3.1Å
116K93.8Very high96.8Very high63 Ų6354.8 Ų54.827%0.27426%0.261SS..SBendtrans-60.6-29.1174.363.3-163.2178.7-164.40112.9Y138 E139 T140K116-Y138 HydrophobicContact CB-CE2 4.16Å; K116-E139 IonicContact NZ-OE1 2.94Å; K116-E139 PolarHBondContact NZ-OE1 2.91Å; K116-E139 IonicContact NZ-OE2 2.75Å; K116-E139 PolarHBondContact NZ-OE2 3.22Å; K116-T140 HydrophobicContact CB-CG2 3.88Å; K116-T140 HydrophobicContact CD-CG2 4.4Å; K116-T140 HydrophobicContact CG-CG2 4.46Å
117E93.8Very high96.9Very high136 Ų13653.5 Ų53.564%0.63625%0.253SS*.SBendtrans-81.6-35.2173.7-54.773.1-157.900112.2T115T115-E117 WeakPolarHBondContact CB-OE2 3.4Å; T115-E117 PolarHBondContact O-N 2.69Å; T115-E117 PolarHBondContact OG1-N 3.4Å; T115-E117 PolarHBondContact OG1-OE2 3.21Å
118Q94.8Very high97Very high146 Ų14649 Ų4968%0.68223%0.234SC*.SBendtrans-132.974.3-174.6-66.6-173.5-1200112.2G114 T115 L120G114-Q118 WeakPolarHBondContact CA-O 3.29Å; T115-Q118 PolarHBondContact N-O 3.32Å; T115-Q118 CarbonylContact O-C 3.53Å; T115-Q118 PolarHBondContact O-N 3.38Å; T115-Q118 VanDerWaalsContact O-N 3.17Å; T115-Q118 PolarHBondContact OG1-N 2.86Å; Q118-L120 PolarHBondContact O-N 2.88Å
119A96.1Very high97Very high15 Ų1556 Ų5612%0.12426%0.264CS..BIsolated β-bridgetrans-73.8121.7176.900000111.8M112 T115 R125M112-A119 HydrophobicContact CE-CB 3.81Å; T115-A119 PolarHBondContact O-N 3.07Å; T115-A119 VanDerWaalsContact O-N 3.1Å; A119-R125 HydrophobicContact CB-CB 3.79Å; A119-R125 HydrophobicContact CB-CG 4.19Å; A119-R125 PolarHBondContact O-NH2 2.54Å
120L95.5Very high97Very high120 Ų12056.7 Ų56.763%0.62827%0.268SS*.  trans-94.5-6.3-175-63.7176.7000113.8K113 Q118 L144K113-L120 PolarHBondContact O-N 2.88Å; Q118-L120 PolarHBondContact O-N 2.88Å; L120-L144 HydrophobicContact CB-CD1 4.33Å; L120-L144 HydrophobicContact CD1-CD1 3.84Å
121C96.6Very high97Very high20 Ų2056.7 Ų56.714%0.13527%0.268CS..SBendtrans-126.5140.5178.2-176.20000111.2K113 F123 S124 R125K113-C121 HydrophobicContact CB-CB 3.69Å; K113-C121 HydrophobicContact CD-CB 3.75Å; K113-C121 HydrophobicContact CG-CB 4.29Å; C121-F123 PolarHBondContact O-N 3.36Å; C121-S124 PolarHBondContact O-N 2.92Å; C121-S124 VanDerWaalsContact O-N 3.16Å; C121-R125 WeakPolarHBondContact O-CB 3.36Å; C121-R125 PolarHBondContact O-N 3.36Å
122K97.1Very high96.9Very high146 Ų14661 Ų6164%0.63529%0.291SS*.Hα-helixtrans-55.2-37.6179.266.4-178.8-177.6178.90113.3A126K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.15Å
123F97.9Very high96.8Very high96 Ų9665.4 Ų65.442%0.42132%0.322SS..Hα-helixtrans-71.9-43.6179-58.2-66000111.6C121 R125 A126 L127 L175C121-F123 PolarHBondContact O-N 3.36Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.29Å; F123-A126 PolarHBondContact O-N 3.3Å; F123-L127 PolarHBondContact O-N 3.29Å; F123-L175 HydrophobicContact CB-CD2 4.03Å; F123-L175 HydrophobicContact CD1-CD2 3.86Å; F123-L175 HydrophobicContact CG-CD2 4.46Å
124S97.8Very high96.7Very high0 Ų064.9 Ų64.90%032%0.322CS..Hα-helixtrans-61.9-40.5174.3-59.20000112K113 C121 L127 V128K113-S124 PolarHBondContact N-OG 3.43Å; C121-S124 PolarHBondContact O-N 2.92Å; C121-S124 VanDerWaalsContact O-N 3.16Å; S124-L127 PolarHBondContact O-N 2.95Å; S124-V128 WeakPolarHBondContact O-CG2 3.25Å; S124-V128 PolarHBondContact O-N 3.1Å
125R98Very high96.6Very high136 Ų13667.2 Ų67.251%0.51335%0.346SS..Hα-helixtrans-65.8-39.8176.1-166.2178.9-56.3118.55.7112.6A119 C121 F123 K129A119-R125 HydrophobicContact CB-CB 3.79Å; A119-R125 HydrophobicContact CB-CG 4.19Å; A119-R125 PolarHBondContact O-NH2 2.54Å; C121-R125 WeakPolarHBondContact O-CB 3.36Å; C121-R125 PolarHBondContact O-N 3.36Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.29Å; R125-K129 PolarHBondContact O-N 3.36Å
126A98.1Very high96.6Very high23 Ų2365.4 Ų65.419%0.1934%0.335CS..Hα-helixtrans-63.1-42.8175.200000111.4K122 F123 K129 I130 L175K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.15Å; F123-A126 PolarHBondContact O-N 3.3Å; A126-K129 WeakPolarHBondContact O-CB 3.38Å; A126-K129 PolarHBondContact O-N 2.98Å; A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 2.86Å; A126-I130 VanDerWaalsContact O-N 3.12Å; A126-L175 HydrophobicContact CB-CD1 4.01Å; A126-L175 HydrophobicContact CB-CD2 3.84Å
127L98.4Very high96.6Very high0 Ų069.1 Ų69.10%036%0.358CS..Hα-helixtrans-61.7-50.7176.9178.366.6000111.7V110 F123 S124 K129 I130 L131 P163 V165 L175 I178V110-L127 HydrophobicContact CG1-CD2 3.53Å; F123-L127 PolarHBondContact O-N 3.29Å; S124-L127 PolarHBondContact O-N 2.95Å; L127-K129 PolarHBondContact O-N 3.49Å; L127-I130 PolarHBondContact O-N 3.17Å; L127-L131 HydrophobicContact CD1-CD1 4.1Å; L127-L131 HydrophobicContact CD1-CG 4.12Å; L127-L131 HydrophobicContact CD2-CD1 4.42Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.91Å; L127-P163 HydrophobicContact CB-CG 3.8Å; L127-P163 HydrophobicContact CD2-CB 3.4Å; L127-P163 VanDerWaalsContact CD2-CB 3.4Å; L127-P163 HydrophobicContact CD2-CG 3.43Å; L127-P163 VanDerWaalsContact CD2-CG 3.43Å; L127-P163 HydrophobicContact CG-CG 4.2Å; L127-V165 HydrophobicContact CD1-CG2 3.99Å; L127-V165 HydrophobicContact CD2-CG2 3.58Å; L127-V165 HydrophobicContact CG-CG2 4.4Å; L127-L175 HydrophobicContact CB-CD1 3.95Å; L127-L175 HydrophobicContact CD1-CD1 4.45Å; L127-I178 HydrophobicContact CD1-CB 3.86Å; L127-I178 HydrophobicContact CD1-CG1 3.82Å; L127-I178 HydrophobicContact CD1-CG2 3.58Å
128V98.3Very high96.8Very high12 Ų1263.4 Ų63.47%0.07333%0.33CS..Hα-helixtrans-54.2-42.8177.3165.70000110.9M112 S124 I130 L131 N132 Y138M112-V128 HydrophobicContact CE-CG2 3.49Å; M112-V128 VanDerWaalsContact CE-CG2 3.49Å; M112-V128 HydrophobicContact SD-CG2 3.8Å; S124-V128 WeakPolarHBondContact O-CG2 3.25Å; S124-V128 PolarHBondContact O-N 3.1Å; V128-I130 PolarHBondContact O-N 2.63Å; V128-L131 PolarHBondContact O-N 2.78Å; V128-N132 VanDerWaalsContact O-CB 3.26Å; V128-N132 WeakPolarHBondContact O-CB 3.46Å; V128-N132 PolarHBondContact O-N 2.7Å; V128-N132 PolarHBondContact O-OD1 2.88Å; V128-Y138 WeakPolarHBondContact CG1-OH 3.38Å
129K97.6Very high97Very high151 Ų15161.1 Ų61.166%0.65732%0.32SS*.Hα-helixtrans-60.4-46.2177.1-173.2-178.1178.7-1750112R125 A126 L127 S133R125-K129 PolarHBondContact O-N 3.36Å; A126-K129 WeakPolarHBondContact O-CB 3.38Å; A126-K129 PolarHBondContact O-N 2.98Å; L127-K129 PolarHBondContact O-N 3.49Å; K129-S133 VanDerWaalsContact O-CB 3.31Å; K129-S133 WeakPolarHBondContact O-CB 3.19Å; K129-S133 PolarHBondContact O-N 2.86Å; K129-S133 PolarHBondContact O-OG 2.94Å
130I98.1Very high97.1Very high22 Ų2261.8 Ų61.811%0.11332%0.322CS..Hα-helixtrans-63.6-48.1-179.6-65.8164.3000110.5A126 L127 V128 N132 S133 N134 L175 I178 R179 D182 L187A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 2.86Å; A126-I130 VanDerWaalsContact O-N 3.12Å; L127-I130 PolarHBondContact O-N 3.17Å; V128-I130 PolarHBondContact O-N 2.63Å; I130-N132 PolarHBondContact O-N 2.95Å; I130-S133 PolarHBondContact O-N 3.3Å; I130-N134 PolarHBondContact O-N 2.99Å; I130-N134 PolarHBondContact O-ND2 2.94Å; I130-L175 HydrophobicContact CD1-CD1 3.86Å; I130-I178 HydrophobicContact CG2-CG2 3.96Å; I130-R179 HydrophobicContact CD1-CG 3.55Å; I130-D182 HydrophobicContact CG2-CB 3.94Å; I130-L187 HydrophobicContact CG2-CD2 3.8Å
131L97.6Very high97.2Very high0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-63.3-44.1-179.3-64.5178.2000111.8V110 L127 V128 N134 G135 V136 Y138 L191V110-L131 HydrophobicContact CG2-CD1 3.93Å; L127-L131 HydrophobicContact CD1-CD1 4.1Å; L127-L131 HydrophobicContact CD1-CG 4.12Å; L127-L131 HydrophobicContact CD2-CD1 4.42Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.91Å; V128-L131 PolarHBondContact O-N 2.78Å; L131-N134 CarbonylContact O-C 3.6Å; L131-N134 PolarHBondContact O-N 3.14Å; L131-G135 PolarHBondContact O-N 3.05Å; L131-V136 HydrophobicContact CB-CB 4.26Å; L131-V136 HydrophobicContact CD2-CB 4.27Å; L131-V136 HydrophobicContact CD2-CG1 4.27Å; L131-V136 HydrophobicContact CD2-CG2 4.33Å; L131-V136 PolarHBondContact O-N 3.49Å; L131-Y138 HydrophobicContact CB-CD1 3.97Å; L131-Y138 HydrophobicContact CB-CE1 3.51Å; L131-Y138 HydrophobicContact CD1-CD1 3.89Å; L131-Y138 HydrophobicContact CD1-CD2 4.13Å; L131-Y138 HydrophobicContact CD1-CE1 3.88Å; L131-Y138 HydrophobicContact CD1-CE2 4.07Å; L131-Y138 HydrophobicContact CD1-CG 4.05Å; L131-Y138 HydrophobicContact CG-CE1 4.35Å; L131-L191 HydrophobicContact CD2-CD1 3.63Å
132N96.5Very high97.3Very high89 Ų8958 Ų5848%0.47630%0.299SS..Hα-helixtrans-68.2-40.4179.8-67.34.1000112V128 I130 N134 G135 Y138V128-N132 VanDerWaalsContact O-CB 3.26Å; V128-N132 WeakPolarHBondContact O-CB 3.46Å; V128-N132 PolarHBondContact O-N 2.7Å; V128-N132 PolarHBondContact O-OD1 2.88Å; I130-N132 PolarHBondContact O-N 2.95Å; N132-N134 PolarHBondContact O-N 2.84Å; N132-G135 PolarHBondContact O-N 2.86Å; N132-G135 VanDerWaalsContact O-N 3.07Å; N132-Y138 VanDerWaalsContact OD1-CE1 3.3Å; N132-Y138 WeakPolarHBondContact OD1-CE1 3.23Å; N132-Y138 PolarHBondContact OD1-OH 3.37Å
133S96.2Very high97.3Very high94 Ų9451 Ų5166%0.65727%0.269SS*.Hα-helixtrans-61.9-29.3176-67.90000112.8K129 I130K129-S133 VanDerWaalsContact O-CB 3.31Å; K129-S133 WeakPolarHBondContact O-CB 3.19Å; K129-S133 PolarHBondContact O-N 2.86Å; K129-S133 PolarHBondContact O-OG 2.94Å; I130-S133 PolarHBondContact O-N 3.3Å
134N95.9Very high97.2Very high48 Ų4850 Ų5026%0.25727%0.268SS..THydrogen-bonded Turntrans-91.44.5176.7-77.7-79.7000113.6I130 L131 N132 V136 D182 L187 I188I130-N134 PolarHBondContact O-N 2.99Å; I130-N134 PolarHBondContact O-ND2 2.94Å; L131-N134 CarbonylContact O-C 3.6Å; L131-N134 PolarHBondContact O-N 3.14Å; N132-N134 PolarHBondContact O-N 2.84Å; N134-V136 HydrophobicContact CB-CG2 4Å; N134-V136 PolarHBondContact O-N 2.84Å; N134-D182 PolarHBondContact ND2-OD1 3.24Å; N134-L187 HydrophobicContact CB-CD2 4.24Å; N134-I188 HydrophobicContact CB-CG1 4.45Å
135G94.6Very high97.1Very high52 Ų5257.4 Ų57.454%0.53630%0.302SS..THydrogen-bonded Turntrans6426.7-179.800000114L131 N132L131-G135 PolarHBondContact O-N 3.05Å; N132-G135 PolarHBondContact O-N 2.86Å; N132-G135 VanDerWaalsContact O-N 3.07Å
136V95.3Very high96.8Very high5 Ų552.2 Ų52.23%0.0329%0.285CS..  trans-76.4126.3179.5-178.80000109.4I108 L131 N134 Y138 L191I108-V136 HydrophobicContact CD1-CG1 3.46Å; I108-V136 VanDerWaalsContact CD1-CG1 3.46Å; L131-V136 HydrophobicContact CB-CB 4.26Å; L131-V136 HydrophobicContact CD2-CB 4.27Å; L131-V136 HydrophobicContact CD2-CG1 4.27Å; L131-V136 HydrophobicContact CD2-CG2 4.33Å; L131-V136 PolarHBondContact O-N 3.49Å; N134-V136 HydrophobicContact CB-CG2 4Å; N134-V136 PolarHBondContact O-N 2.84Å; V136-Y138 HydrophobicContact CG1-CD1 4.43Å; V136-Y138 VanDerWaalsContact O-CD1 3.24Å; V136-Y138 WeakPolarHBondContact O-CD1 3.31Å; V136-L191 HydrophobicContact CG1-CD1 4.2Å; V136-L191 HydrophobicContact CG2-CD1 4.49Å
137N95.6Very high96.5Very high140 Ų14055.8 Ų55.875%0.74930%0.297SS*.  trans-85.2123.5170.3-68-33.7000110
138Y97.1Very high96.1Very high16 Ų1660.9 Ų60.96%0.06333%0.325CS..  trans-149.5159-179.662.9-79.6000110.9I108 V110 K116 V128 L131 N132 V136 T140I108-Y138 WeakPolarHBondContact O-CA 3.31Å; I108-Y138 WeakPolarHBondContact O-CB 3.48Å; V110-Y138 HydrophobicContact CB-CD2 4.06Å; V110-Y138 HydrophobicContact CG2-CD2 3.56Å; V110-Y138 HydrophobicContact CG2-CE2 4.27Å; V110-Y138 HydrophobicContact CG2-CG 4.12Å; K116-Y138 HydrophobicContact CB-CE2 4.16Å; V128-Y138 WeakPolarHBondContact CG1-OH 3.38Å; L131-Y138 HydrophobicContact CB-CD1 3.97Å; L131-Y138 HydrophobicContact CB-CE1 3.51Å; L131-Y138 HydrophobicContact CD1-CD1 3.89Å; L131-Y138 HydrophobicContact CD1-CD2 4.13Å; L131-Y138 HydrophobicContact CD1-CE1 3.88Å; L131-Y138 HydrophobicContact CD1-CE2 4.07Å; L131-Y138 HydrophobicContact CD1-CG 4.05Å; L131-Y138 HydrophobicContact CG-CE1 4.35Å; N132-Y138 VanDerWaalsContact OD1-CE1 3.3Å; N132-Y138 WeakPolarHBondContact OD1-CE1 3.23Å; N132-Y138 PolarHBondContact OD1-OH 3.37Å; V136-Y138 HydrophobicContact CG1-CD1 4.43Å; V136-Y138 VanDerWaalsContact O-CD1 3.24Å; V136-Y138 WeakPolarHBondContact O-CD1 3.31Å; Y138-T140 HydrophobicContact CD2-CG2 3.76Å; Y138-T140 HydrophobicContact CE2-CG2 3.48Å; Y138-T140 VanDerWaalsContact CE2-CG2 3.48Å
139E98.2Very high95.9Very high99 Ų9960.3 Ų60.346%0.46332%0.321SS..EExtended strand (participates in β ladder)trans-107.1156.6167.5-69.5-54.3149.700111.8I108 M109 V110 K116I108-E139 PolarHBondContact O-N 2.87Å; M109-E139 HydrophobicContact SD-CB 3.93Å; V110-E139 PolarHBondContact N-O 2.87Å; K116-E139 IonicContact NZ-OE1 2.94Å; K116-E139 PolarHBondContact NZ-OE1 2.91Å; K116-E139 IonicContact NZ-OE2 2.75Å; K116-E139 PolarHBondContact NZ-OE2 3.22Å
140T98.2Very high95.8Very high28 Ų2856 Ų5617%0.17230%0.301CS..EExtended strand (participates in β ladder)trans-121.4144-177.460.50000111.7V110 M112 K116 Y138V110-T140 HydrophobicContact CB-CG2 4.27Å; V110-T140 CarbonylContact O-C 3.37Å; V110-T140 VanDerWaalsContact O-CA 3.23Å; V110-T140 WeakPolarHBondContact O-CA 3.45Å; M112-T140 HydrophobicContact CG-CG2 4.3Å; M112-T140 HydrophobicContact SD-CG2 3.49Å; M112-T140 WeakPolarHBondContact SD-CG2 3.49Å; K116-T140 HydrophobicContact CB-CG2 3.88Å; K116-T140 HydrophobicContact CD-CG2 4.4Å; K116-T140 HydrophobicContact CG-CG2 4.46Å; Y138-T140 HydrophobicContact CD2-CG2 3.76Å; Y138-T140 HydrophobicContact CE2-CG2 3.48Å; Y138-T140 VanDerWaalsContact CE2-CG2 3.48Å
141F98.3Very high95.5Very high43 Ų4358 Ų5819%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-118.1128165-174.5-87.3000110.1L102 M109 V110 F111 M112 V143 D146 V149L102-F141 HydrophobicContact CD1-CD2 3.76Å; L102-F141 HydrophobicContact CD1-CE2 4.12Å; L102-F141 HydrophobicContact CD1-CG 4.49Å; L102-F141 HydrophobicContact CD2-CD1 4.23Å; L102-F141 HydrophobicContact CD2-CD2 3.68Å; L102-F141 HydrophobicContact CD2-CE1 4.22Å; L102-F141 HydrophobicContact CD2-CE2 3.65Å; L102-F141 HydrophobicContact CD2-CG 3.96Å; L102-F141 HydrophobicContact CD2-CZ 3.93Å; L102-F141 HydrophobicContact CG-CD2 4.18Å; L102-F141 HydrophobicContact CG-CE2 4.5Å; M109-F141 HydrophobicContact CE-CB 3.43Å; M109-F141 VanDerWaalsContact CE-CB 3.43Å; V110-F141 PolarHBondContact O-N 3.2Å; F111-F141 HydrophobicContact CD1-CB 3.67Å; F111-F141 AromaticContact CD1-CD1 3.88Å; F111-F141 HydrophobicContact CD1-CD1 3.88Å; F111-F141 HydrophobicContact CD1-CG 4.06Å; F111-F141 HydrophobicContact CE1-CB 3.78Å; F111-F141 HydrophobicContact CE1-CD1 4.13Å; F111-F141 HydrophobicContact CE1-CG 4.03Å; M112-F141 PolarHBondContact N-O 3.04Å; F141-V143 HydrophobicContact CD1-CG1 4.11Å; F141-V143 PolarHBondContact O-N 3.01Å; F141-D146 HydrophobicContact CE1-CB 4.04Å; F141-D146 HydrophobicContact CZ-CB 3.84Å; F141-V149 HydrophobicContact CD1-CG1 3.94Å; F141-V149 HydrophobicContact CE1-CB 3.88Å; F141-V149 HydrophobicContact CE1-CG1 3.5Å; F141-V149 HydrophobicContact CE1-CG2 4.19Å; F141-V149 HydrophobicContact CZ-CB 4.22Å; F141-V149 HydrophobicContact CZ-CG1 4.12Å; F141-V149 HydrophobicContact CZ-CG2 4.02Å
142N98.2Very high95.2Very high17 Ų1758.4 Ų58.49%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-81.4101.4177.7-175.99.6000110.6M112 G114 L144 E145M112-N142 WeakPolarHBondContact O-CA 3.36Å; G114-N142 PolarHBondContact N-OD1 3.3Å; N142-L144 PolarHBondContact O-N 2.83Å; N142-L144 VanDerWaalsContact O-N 3.1Å; N142-L144 WeakPolarHBondContact OD1-CB 3.17Å; N142-L144 PolarHBondContact OD1-N 3.19Å; N142-L144 VanDerWaalsContact OD1-N 3.14Å; N142-E145 HydrophobicContact CB-CG 4.44Å; N142-E145 PolarHBondContact ND2-OE1 2.94Å; N142-E145 PolarHBondContact O-N 3.06Å
143V97.5Very high95.2Very high0 Ų054.2 Ų54.20%029%0.291CS..THydrogen-bonded Turntrans-70.1-5.9-179.1-56.10000114F111 M112 K113 F141 E145 R150 Y162F111-V143 HydrophobicContact CB-CG1 3.84Å; F111-V143 HydrophobicContact CD1-CG1 4.13Å; F111-V143 HydrophobicContact CG-CG1 4.49Å; M112-V143 PolarHBondContact O-N 3.05Å; K113-V143 HydrophobicContact CG-CG2 4.2Å; F141-V143 HydrophobicContact CD1-CG1 4.11Å; F141-V143 PolarHBondContact O-N 3.01Å; V143-E145 VanDerWaalsContact C-N 3.32Å; V143-R150 HydrophobicContact CB-CB 4.04Å; V143-R150 HydrophobicContact CB-CG 4.07Å; V143-R150 HydrophobicContact CG2-CG 4.17Å; V143-R150 WeakPolarHBondContact O-CB 3.35Å; V143-Y162 HydrophobicContact CB-CE1 4.49Å; V143-Y162 HydrophobicContact CB-CE2 4.39Å; V143-Y162 HydrophobicContact CG1-CD1 4.18Å; V143-Y162 HydrophobicContact CG1-CE1 3.72Å; V143-Y162 HydrophobicContact CG1-CE2 4.45Å; V143-Y162 HydrophobicContact CG2-CD1 4.28Å; V143-Y162 HydrophobicContact CG2-CD2 3.87Å; V143-Y162 HydrophobicContact CG2-CE1 4.38Å; V143-Y162 HydrophobicContact CG2-CE2 3.96Å; V143-Y162 HydrophobicContact CG2-CG 4.03Å
144L95.6Very high95Very high75 Ų7552.1 Ų52.139%0.39327%0.27SS..THydrogen-bonded Turntrans-79.2-18.3174.3-62.2175.2000112.7K113 L120 N142K113-L144 HydrophobicContact CB-CD1 3.9Å; K113-L144 HydrophobicContact CB-CG 4.12Å; K113-L144 HydrophobicContact CD-CD2 4.44Å; K113-L144 HydrophobicContact CG-CD1 4.35Å; K113-L144 HydrophobicContact CG-CD2 4.09Å; K113-L144 HydrophobicContact CG-CG 4.11Å; L120-L144 HydrophobicContact CB-CD1 4.33Å; L120-L144 HydrophobicContact CD1-CD1 3.84Å; N142-L144 PolarHBondContact O-N 2.83Å; N142-L144 VanDerWaalsContact O-N 3.1Å; N142-L144 WeakPolarHBondContact OD1-CB 3.17Å; N142-L144 PolarHBondContact OD1-N 3.19Å; N142-L144 VanDerWaalsContact OD1-N 3.14Å
145E95.1Very high94.8Very high156 Ų15657.8 Ų57.873%0.72929%0.293SS*.SBendtrans-90.1-11.3-179.3-72168.3-157.600112.7N142 V143N142-E145 HydrophobicContact CB-CG 4.44Å; N142-E145 PolarHBondContact ND2-OE1 2.94Å; N142-E145 PolarHBondContact O-N 3.06Å; V143-E145 VanDerWaalsContact C-N 3.32Å
146D93.3Very high94.6Very high26 Ų2657.8 Ų57.814%0.13928%0.28CS..  trans-145.4101-177.9-166.7-49.2000111.4R98 F141 D148 V149 R150R98-D146 IonicContact CZ-OD2 3.31Å; R98-D146 IonicContact NH1-OD1 2.82Å; R98-D146 IonicContact NH1-OD2 2.72Å; R98-D146 PolarHBondContact NH1-OD2 2.6Å; R98-D146 IonicContact NH2-OD2 3.01Å; R98-D146 PolarHBondContact NH2-OD2 2.81Å; F141-D146 HydrophobicContact CE1-CB 4.04Å; F141-D146 HydrophobicContact CZ-CB 3.84Å; D146-D148 VanDerWaalsContact C-N 3.33Å; D146-D148 PolarHBondContact O-N 2.77Å; D146-D148 WeakPolarHBondContact OD1-CB 3.23Å; D146-D148 PolarHBondContact OD1-N 3.07Å; D146-D148 VanDerWaalsContact OD1-N 3.12Å; D146-V149 HydrophobicContact CB-CB 4.02Å; D146-V149 HydrophobicContact CB-CG2 4.07Å; D146-V149 VanDerWaalsContact CG-CG2 3.47Å; D146-V149 PolarHBondContact O-N 2.88Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.42Å; D146-V149 PolarHBondContact OD1-N 3.47Å; D146-R150 WeakPolarHBondContact O-CB 3.49Å; D146-R150 PolarHBondContact O-N 2.79Å
147E90.4Very high94.5Very high98 Ų9858.7 Ų58.746%0.45829%0.287SS..Hα-helixtrans-70.9-29.3-176.5-163.265.5-166.800112.3R150 E151E147-R150 WeakPolarHBondContact O-CB 3.16Å; E147-R150 PolarHBondContact O-N 2.87Å; E147-R150 IonicContact OE1-CZ 2.92Å; E147-R150 IonicContact OE1-NH1 3.82Å; E147-R150 WeakPolarHBondContact OE2-CD 3.16Å; E147-R150 IonicContact OE2-CZ 3.87Å; E147-R150 IonicContact OE2-NE 2.96Å; E147-R150 IonicContact OE2-NH1 2.75Å; E147-R150 PolarHBondContact OE2-NH1 3.37Å; E147-E151 PolarHBondContact O-N 2.87Å
148D89.8Confident94.4Very high107 Ų10759 Ų5957%0.57229%0.289SS*.Hα-helixtrans-67.5-44.5175.9-73.1-28.7000110.8L95 D146 R150 G152L95-D148 HydrophobicContact CD1-CB 3.89Å; L95-D148 HydrophobicContact CD2-CB 4.36Å; D146-D148 VanDerWaalsContact C-N 3.33Å; D146-D148 PolarHBondContact O-N 2.77Å; D146-D148 WeakPolarHBondContact OD1-CB 3.23Å; D146-D148 PolarHBondContact OD1-N 3.07Å; D146-D148 VanDerWaalsContact OD1-N 3.12Å; D148-R150 VanDerWaalsContact C-N 3.33Å; D148-G152 VanDerWaalsContact O-CA 3.31Å; D148-G152 WeakPolarHBondContact O-CA 3.37Å; D148-G152 PolarHBondContact O-N 2.74Å
149V94Very high94.4Very high0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-62.2-45.2173.4172.10000110L99 L102 F111 F141 D146 E151 G152 L153L99-V149 HydrophobicContact CD2-CB 4.13Å; L99-V149 HydrophobicContact CD2-CG1 3.94Å; L99-V149 HydrophobicContact CD2-CG2 4.14Å; L102-V149 HydrophobicContact CD2-CG1 3.75Å; L102-V149 HydrophobicContact CD2-CG2 3.98Å; F111-V149 HydrophobicContact CD1-CG1 4.39Å; F111-V149 HydrophobicContact CE1-CG1 4.25Å; F141-V149 HydrophobicContact CD1-CG1 3.94Å; F141-V149 HydrophobicContact CE1-CB 3.88Å; F141-V149 HydrophobicContact CE1-CG1 3.5Å; F141-V149 HydrophobicContact CE1-CG2 4.19Å; F141-V149 HydrophobicContact CZ-CB 4.22Å; F141-V149 HydrophobicContact CZ-CG1 4.12Å; F141-V149 HydrophobicContact CZ-CG2 4.02Å; D146-V149 HydrophobicContact CB-CB 4.02Å; D146-V149 HydrophobicContact CB-CG2 4.07Å; D146-V149 VanDerWaalsContact CG-CG2 3.47Å; D146-V149 PolarHBondContact O-N 2.88Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.42Å; D146-V149 PolarHBondContact OD1-N 3.47Å; V149-E151 PolarHBondContact O-N 3.26Å; V149-G152 PolarHBondContact O-N 3.32Å; V149-L153 HydrophobicContact CG1-CD1 3.58Å; V149-L153 HydrophobicContact CG1-CG 4.14Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 VanDerWaalsContact O-CG 3.32Å; V149-L153 WeakPolarHBondContact O-CG 3.41Å; V149-L153 PolarHBondContact O-N 2.9Å
150R95.5Very high94.1Very high60 Ų6061.7 Ų61.723%0.22631%0.307CS..Hα-helixtrans-59.7-48.6-178-175-172.9174.3178.6-5.6113.2V143 D146 E147 D148 K154 Y162V143-R150 HydrophobicContact CB-CB 4.04Å; V143-R150 HydrophobicContact CB-CG 4.07Å; V143-R150 HydrophobicContact CG2-CG 4.17Å; V143-R150 WeakPolarHBondContact O-CB 3.35Å; D146-R150 WeakPolarHBondContact O-CB 3.49Å; D146-R150 PolarHBondContact O-N 2.79Å; E147-R150 WeakPolarHBondContact O-CB 3.16Å; E147-R150 PolarHBondContact O-N 2.87Å; E147-R150 IonicContact OE1-CZ 2.92Å; E147-R150 IonicContact OE1-NH1 3.82Å; E147-R150 WeakPolarHBondContact OE2-CD 3.16Å; E147-R150 IonicContact OE2-CZ 3.87Å; E147-R150 IonicContact OE2-NE 2.96Å; E147-R150 IonicContact OE2-NH1 2.75Å; E147-R150 PolarHBondContact OE2-NH1 3.37Å; D148-R150 VanDerWaalsContact C-N 3.33Å; R150-K154 WeakPolarHBondContact O-CG 3.22Å; R150-Y162 WeakPolarHBondContact CA-OH 3.49Å; R150-Y162 HydrophobicContact CG-CE2 3.67Å; R150-Y162 PolarHBondContact O-OH 3.48Å
151E92.3Very high94Very high66 Ų6664.1 Ų64.131%0.30832%0.322SS..Hα-helixtrans-81.4-32.2-179.4-67.3-54.4122.100111.7E147 V149 K154 K155E147-E151 PolarHBondContact O-N 2.87Å; V149-E151 PolarHBondContact O-N 3.26Å; E151-K154 IonicContact OE1-NZ 2.67Å; E151-K154 PolarHBondContact OE1-NZ 2.92Å; E151-K154 IonicContact OE2-NZ 3.95Å; E151-K155 WeakPolarHBondContact O-CG 3.33Å; E151-K155 PolarHBondContact O-N 3.17Å
152G92.3Very high94Very high8 Ų862.8 Ų62.88%0.08232%0.316CS..Hα-helixtrans-63.2-45.9176.600000113.3D148 V149 K154 K155 L156D148-G152 VanDerWaalsContact O-CA 3.31Å; D148-G152 WeakPolarHBondContact O-CA 3.37Å; D148-G152 PolarHBondContact O-N 2.74Å; V149-G152 PolarHBondContact O-N 3.32Å; G152-K154 PolarHBondContact O-N 3.1Å; G152-K155 PolarHBondContact O-N 3.41Å; G152-L156 WeakPolarHBondContact O-CB 3.49Å; G152-L156 PolarHBondContact O-N 3.14Å
153L95.4Very high94Very high0 Ų062.1 Ų62.10%031%0.312CS..Hα-helixtrans-66.4-38.1-178.8-76.7172.2000113.6L99 I103 F111 V149 K155 L156 S157 Y162L99-L153 HydrophobicContact CB-CD2 4.24Å; L99-L153 HydrophobicContact CD2-CD1 4.47Å; L99-L153 HydrophobicContact CD2-CD2 3.83Å; L99-L153 HydrophobicContact CD2-CG 3.63Å; L99-L153 HydrophobicContact CG-CD2 4.41Å; I103-L153 HydrophobicContact CD1-CD2 3.38Å; I103-L153 HydrophobicContact CG1-CD2 3.58Å; F111-L153 HydrophobicContact CB-CD1 4.14Å; F111-L153 HydrophobicContact CD1-CD1 3.13Å; F111-L153 HydrophobicContact CD2-CD1 3.94Å; F111-L153 HydrophobicContact CE1-CD1 3.34Å; F111-L153 HydrophobicContact CE2-CD1 4.1Å; F111-L153 HydrophobicContact CG-CD1 3.45Å; F111-L153 VanDerWaalsContact CG-CD1 3.45Å; F111-L153 HydrophobicContact CZ-CD1 3.81Å; F111-L153 HydrophobicContact CZ-CD2 4.39Å; V149-L153 HydrophobicContact CG1-CD1 3.58Å; V149-L153 HydrophobicContact CG1-CG 4.14Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 VanDerWaalsContact O-CG 3.32Å; V149-L153 WeakPolarHBondContact O-CG 3.41Å; V149-L153 PolarHBondContact O-N 2.9Å; L153-K155 PolarHBondContact O-N 2.93Å; L153-L156 PolarHBondContact O-N 2.8Å; L153-S157 VanDerWaalsContact O-CB 3.29Å; L153-S157 WeakPolarHBondContact O-CB 3.38Å; L153-S157 PolarHBondContact O-N 3.36Å; L153-S157 PolarHBondContact O-OG 3.35Å; L153-Y162 WeakPolarHBondContact CB-OH 3.37Å
154K93.3Very high94.1Very high51 Ų5162.1 Ų62.122%0.22231%0.312CS..Hα-helixtrans-56.5-43.8175.2-71.6172.9177.2169.70111.3R150 E151 G152 N158 W159 P160 Y162R150-K154 WeakPolarHBondContact O-CG 3.22Å; E151-K154 IonicContact OE1-NZ 2.67Å; E151-K154 PolarHBondContact OE1-NZ 2.92Å; E151-K154 IonicContact OE2-NZ 3.95Å; G152-K154 PolarHBondContact O-N 3.1Å; K154-N158 WeakPolarHBondContact O-CA 3.47Å; K154-N158 PolarHBondContact O-N 3.28Å; K154-N158 VanDerWaalsContact O-N 3.15Å; K154-W159 VanDerWaalsContact CA-O 3.25Å; K154-W159 WeakPolarHBondContact CA-O 3.44Å; K154-W159 PolarHBondContact O-N 2.88Å; K154-P160 WeakPolarHBondContact CE-O 3.3Å; K154-Y162 HydrophobicContact CG-CE2 4.14Å
155K90.9Very high94.2Very high167 Ų16758.6 Ų58.673%0.72629%0.293SS*.Hα-helixtrans-70.6-50.2177.9-65.2173.4-175.2174.30111.2E151 G152 L153 S157 N158E151-K155 WeakPolarHBondContact O-CG 3.33Å; E151-K155 PolarHBondContact O-N 3.17Å; G152-K155 PolarHBondContact O-N 3.41Å; L153-K155 PolarHBondContact O-N 2.93Å; K155-S157 VanDerWaalsContact C-N 3.26Å; K155-S157 PolarHBondContact O-N 2.75Å; K155-N158 PolarHBondContact O-N 2.98Å
156L90.9Very high94.3Very high52 Ų5251.4 Ų51.427%0.27226%0.26SS..Hα-helixtrans-59.7-38.2-176.2-179.860.2000112.3E96 L99 R100 I103 G152 L153E96-L156 HydrophobicContact CG-CD1 4.06Å; L99-L156 HydrophobicContact CB-CD2 3.63Å; L99-L156 HydrophobicContact CD1-CB 4.18Å; L99-L156 HydrophobicContact CD1-CD2 3.92Å; L99-L156 HydrophobicContact CG-CD2 4.46Å; R100-L156 HydrophobicContact CG-CD2 4.21Å; I103-L156 HydrophobicContact CD1-CD2 3.7Å; G152-L156 WeakPolarHBondContact O-CB 3.49Å; G152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 2.8Å
157S92.8Very high94.5Very high24 Ų2450.9 Ų50.917%0.16826%0.257CS..THydrogen-bonded Turntrans-101.1-0-172.8-37.80000112.4L153 K155 W159 Y166L153-S157 VanDerWaalsContact O-CB 3.29Å; L153-S157 WeakPolarHBondContact O-CB 3.38Å; L153-S157 PolarHBondContact O-N 3.36Å; L153-S157 PolarHBondContact O-OG 3.35Å; K155-S157 VanDerWaalsContact C-N 3.26Å; K155-S157 PolarHBondContact O-N 2.75Å; S157-W159 PolarHBondContact O-N 3.35Å; S157-Y166 VanDerWaalsContact CB-OH 3.26Å; S157-Y166 WeakPolarHBondContact CB-OH 3.29Å; S157-Y166 PolarHBondContact OG-OH 3.17Å
158N93.5Very high94.7Very high147 Ų14751.7 Ų51.779%0.78627%0.265SS*.THydrogen-bonded Turntrans48.940.7-173.5-164.835.5000112.6K154 K155K154-N158 WeakPolarHBondContact O-CA 3.47Å; K154-N158 PolarHBondContact O-N 3.28Å; K154-N158 VanDerWaalsContact O-N 3.15Å; K155-N158 PolarHBondContact O-N 2.98Å
159W96Very high94.9Very high74 Ų7447.9 Ų47.928%0.2825%0.251SS..  trans-129117.6-175.1-161-85.8000111.2K154 S157 T161 Q164 L171 G174 V177K154-W159 VanDerWaalsContact CA-O 3.25Å; K154-W159 WeakPolarHBondContact CA-O 3.44Å; K154-W159 PolarHBondContact O-N 2.88Å; S157-W159 PolarHBondContact O-N 3.35Å; W159-T161 PolarHBondContact NE1-OG1 3.29Å; W159-T161 PolarHBondContact O-N 2.97Å; W159-Q164 HydrophobicContact CG-CG 4.45Å; W159-Q164 PolarHBondContact O-NE2 2.92Å; W159-L171 HydrophobicContact CB-CD2 3.87Å; W159-L171 HydrophobicContact CD2-CD2 3.99Å; W159-L171 HydrophobicContact CE3-CD2 3.68Å; W159-L171 HydrophobicContact CG-CD2 4.09Å; W159-G174 VanDerWaalsContact CZ2-N 3.32Å; W159-V177 HydrophobicContact CH2-CG2 3.97Å; W159-V177 HydrophobicContact CZ2-CG2 4.4Å
160P93.4Very high94.9Very high96 Ų9651.5 Ų51.562%0.62328%0.276SS*.  trans-81.2-19.4-163.928.6-34.1000114.9K154K154-P160 WeakPolarHBondContact CE-O 3.3Å
161T95.7Very high95Very high80 Ų8051.2 Ų51.249%0.49128%0.279SS..SBendtrans-118166.7-167.257.50000113W159 Q164W159-T161 PolarHBondContact NE1-OG1 3.29Å; W159-T161 PolarHBondContact O-N 2.97Å; T161-Q164 WeakPolarHBondContact O-CG 3.28Å; T161-Q164 PolarHBondContact O-NE2 3.49Å
162Y98Very high95.3Very high15 Ų1550.4 Ų50.46%0.05928%0.276CS..SBendtrans-123.5147169.6-71.3-70.2000109.2F111 V143 R150 L153 K154 Q164F111-Y162 HydrophobicContact CB-CD1 4.02Å; F111-Y162 HydrophobicContact CB-CE1 3.75Å; F111-Y162 WeakPolarHBondContact O-CD1 3.24Å; V143-Y162 HydrophobicContact CB-CE1 4.49Å; V143-Y162 HydrophobicContact CB-CE2 4.39Å; V143-Y162 HydrophobicContact CG1-CD1 4.18Å; V143-Y162 HydrophobicContact CG1-CE1 3.72Å; V143-Y162 HydrophobicContact CG1-CE2 4.45Å; V143-Y162 HydrophobicContact CG2-CD1 4.28Å; V143-Y162 HydrophobicContact CG2-CD2 3.87Å; V143-Y162 HydrophobicContact CG2-CE1 4.38Å; V143-Y162 HydrophobicContact CG2-CE2 3.96Å; V143-Y162 HydrophobicContact CG2-CG 4.03Å; R150-Y162 WeakPolarHBondContact CA-OH 3.49Å; R150-Y162 HydrophobicContact CG-CE2 3.67Å; R150-Y162 PolarHBondContact O-OH 3.48Å; L153-Y162 WeakPolarHBondContact CB-OH 3.37Å; K154-Y162 HydrophobicContact CG-CE2 4.14Å; Y162-Q164 HydrophobicContact CD1-CB 4.35Å; Y162-Q164 HydrophobicContact CD1-CG 3.79Å; Y162-Q164 HydrophobicContact CE1-CB 4.47Å; Y162-Q164 HydrophobicContact CE1-CG 3.92Å
163P98.4Very high95.5Very high3 Ų350 Ų502%0.01927%0.272CS..  cis-77.4158.1833-37.1000114.4V110 F111 M112 L127 G174 L175V110-P163 HydrophobicContact CG1-CB 4.48Å; F111-P163 CarbonylContact O-C 3.59Å; F111-P163 WeakPolarHBondContact O-CA 3.26Å; M112-P163 HydrophobicContact CB-CB 4.05Å; L127-P163 HydrophobicContact CB-CG 3.8Å; L127-P163 HydrophobicContact CD2-CB 3.4Å; L127-P163 VanDerWaalsContact CD2-CB 3.4Å; L127-P163 HydrophobicContact CD2-CG 3.43Å; L127-P163 VanDerWaalsContact CD2-CG 3.43Å; L127-P163 HydrophobicContact CG-CG 4.2Å; P163-G174 VanDerWaalsContact O-CA 3.28Å; P163-G174 WeakPolarHBondContact O-CA 3.34Å; P163-L175 HydrophobicContact CG-CB 4.27Å
164Q98.5Very high95.6Very high0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-121.9133.7172.3-61.718011.700109.2V110 F111 W159 T161 Y162 Y166 L171V110-Q164 WeakPolarHBondContact CA-O 3.32Å; F111-Q164 HydrophobicContact CB-CB 4.39Å; F111-Q164 PolarHBondContact N-O 2.93Å; F111-Q164 PolarHBondContact O-N 2.72Å; W159-Q164 HydrophobicContact CG-CG 4.45Å; W159-Q164 PolarHBondContact O-NE2 2.92Å; T161-Q164 WeakPolarHBondContact O-CG 3.28Å; T161-Q164 PolarHBondContact O-NE2 3.49Å; Y162-Q164 HydrophobicContact CD1-CB 4.35Å; Y162-Q164 HydrophobicContact CD1-CG 3.79Å; Y162-Q164 HydrophobicContact CE1-CB 4.47Å; Y162-Q164 HydrophobicContact CE1-CG 3.92Å; Q164-Y166 HydrophobicContact CB-CE2 3.76Å; Q164-Y166 PolarHBondContact OE1-OH 3.28Å; Q164-L171 HydrophobicContact CB-CD1 4.11Å
165V98.6Very high95.9Very high0 Ų048.1 Ų48.10%027%0.265CS..EExtended strand (participates in β ladder)trans-114.2127.3-178.4-175.90000109.7I108 V110 L127 I172 G173 I178 L191I108-V165 HydrophobicContact CG2-CG1 4.22Å; V110-V165 HydrophobicContact CG2-CG1 4.36Å; V110-V165 HydrophobicContact CG2-CG2 4.25Å; L127-V165 HydrophobicContact CD1-CG2 3.99Å; L127-V165 HydrophobicContact CD2-CG2 3.58Å; L127-V165 HydrophobicContact CG-CG2 4.4Å; V165-I172 PolarHBondContact O-N 2.99Å; V165-G173 PolarHBondContact N-O 3.3Å; V165-G173 PolarHBondContact O-N 3.47Å; V165-I178 HydrophobicContact CB-CD1 4.2Å; V165-I178 HydrophobicContact CB-CG1 4.45Å; V165-I178 HydrophobicContact CG1-CD1 4.21Å; V165-I178 HydrophobicContact CG2-CD1 4.12Å; V165-I178 HydrophobicContact CG2-CG1 3.92Å; V165-L191 HydrophobicContact CG1-CD2 4.2Å
166Y98.3Very high96.2Very high5 Ų544.9 Ų44.92%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-116.9143.4176.4-63.7-105.9000110.3I103 I108 M109 F111 S157 Q164 S170 L171I103-Y166 HydrophobicContact CB-CD1 4.37Å; I103-Y166 HydrophobicContact CD1-CD1 4.49Å; I103-Y166 HydrophobicContact CD1-CE1 3.9Å; I103-Y166 HydrophobicContact CG1-CD1 4.14Å; I103-Y166 HydrophobicContact CG1-CE1 3.9Å; I103-Y166 HydrophobicContact CG1-CE2 4.48Å; I103-Y166 HydrophobicContact CG2-CD1 3.38Å; I103-Y166 HydrophobicContact CG2-CE1 3.89Å; I103-Y166 HydrophobicContact CG2-CG 3.88Å; I108-Y166 CarbonylContact C-O 3.52Å; I108-Y166 VanDerWaalsContact CA-O 3.31Å; I108-Y166 WeakPolarHBondContact CA-O 3.43Å; M109-Y166 PolarHBondContact N-O 3.47Å; M109-Y166 PolarHBondContact O-N 3.38Å; F111-Y166 AromaticContact CD2-CD2 3.57Å; F111-Y166 HydrophobicContact CD2-CD2 3.57Å; F111-Y166 AromaticContact CD2-CE2 3.41Å; F111-Y166 HydrophobicContact CD2-CE2 3.41Å; F111-Y166 VanDerWaalsContact CD2-CE2 3.41Å; F111-Y166 AromaticContact CE2-CD2 3.63Å; F111-Y166 HydrophobicContact CE2-CD2 3.63Å; F111-Y166 AromaticContact CE2-CE2 3.66Å; F111-Y166 HydrophobicContact CE2-CE2 3.66Å; F111-Y166 HydrophobicContact CE2-CG 4.44Å; S157-Y166 VanDerWaalsContact CB-OH 3.26Å; S157-Y166 WeakPolarHBondContact CB-OH 3.29Å; S157-Y166 PolarHBondContact OG-OH 3.17Å; Q164-Y166 HydrophobicContact CB-CE2 3.76Å; Q164-Y166 PolarHBondContact OE1-OH 3.28Å; Y166-S170 CarbonylContact C-O 3.51Å; Y166-S170 WeakPolarHBondContact CA-O 3.38Å; Y166-L171 HydrophobicContact CD1-CB 4.04Å; Y166-L171 HydrophobicContact CD2-CD1 4.41Å; Y166-L171 HydrophobicContact CE1-CB 3.76Å; Y166-L171 HydrophobicContact CE1-CD1 4.14Å; Y166-L171 HydrophobicContact CE2-CD1 3.95Å
167V97.3Very high96.5Very high15 Ų1544.3 Ų44.39%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-125126171.7178.80000108.2K107 I108 G169 S170 I172 L191K107-V167 CarbonylContact O-C 3.53Å; K107-V167 VanDerWaalsContact O-CA 3.23Å; K107-V167 WeakPolarHBondContact O-CA 3.47Å; I108-V167 HydrophobicContact CG1-CG2 4.36Å; V167-G169 PolarHBondContact O-N 3.44Å; V167-G169 VanDerWaalsContact O-N 3.07Å; V167-S170 PolarHBondContact N-O 3Å; V167-S170 PolarHBondContact O-N 3.25Å; V167-I172 HydrophobicContact CB-CD1 4.03Å; V167-I172 HydrophobicContact CB-CG1 3.94Å; V167-I172 HydrophobicContact CG2-CD1 3.98Å; V167-I172 HydrophobicContact CG2-CG1 3.46Å; V167-I172 VanDerWaalsContact CG2-CG1 3.46Å; V167-L191 WeakPolarHBondContact CG1-O 3.46Å; V167-L191 HydrophobicContact CG2-CB 4.3Å; V167-L191 HydrophobicContact CG2-CD2 3.48Å; V167-L191 VanDerWaalsContact CG2-CD2 3.48Å; V167-L191 HydrophobicContact CG2-CG 4.49Å
168D94.3Very high96.8Very high115 Ų11543.2 Ų43.262%0.61525%0.247SC*.THydrogen-bonded Turntrans48.340.3-178.8-64-46.4000112.5K107 S170K107-D168 PolarHBondContact O-N 3.27Å; D168-S170 VanDerWaalsContact C-N 3.3Å; D168-S170 PolarHBondContact O-N 3.32Å
169G93.4Very high97Very high27 Ų2740.5 Ų40.528%0.27823%0.226SC..THydrogen-bonded Turntrans76.94.7179.900000116.5I103 V167I103-G169 VanDerWaalsContact CG2-CA 3.43Å; I103-G169 WeakPolarHBondContact CG2-O 3.36Å; V167-G169 PolarHBondContact O-N 3.44Å; V167-G169 VanDerWaalsContact O-N 3.07Å
170S95.1Very high97.1Very high77 Ų7743.3 Ų43.354%0.53824%0.242SC..EExtended strand (participates in β ladder)trans-106.9135.2178.7-60.40000111.2Y166 V167 D168 I172Y166-S170 CarbonylContact C-O 3.51Å; Y166-S170 WeakPolarHBondContact CA-O 3.38Å; V167-S170 PolarHBondContact N-O 3Å; V167-S170 PolarHBondContact O-N 3.25Å; D168-S170 VanDerWaalsContact C-N 3.3Å; D168-S170 PolarHBondContact O-N 3.32Å; S170-I172 PolarHBondContact O-N 3.06Å
171L97.4Very high97.3Very high53 Ų5340 Ų4028%0.27722%0.218SC..EExtended strand (participates in β ladder)trans-66.8125.7177.717870.4000110W159 Q164 Y166W159-L171 HydrophobicContact CB-CD2 3.87Å; W159-L171 HydrophobicContact CD2-CD2 3.99Å; W159-L171 HydrophobicContact CE3-CD2 3.68Å; W159-L171 HydrophobicContact CG-CD2 4.09Å; Q164-L171 HydrophobicContact CB-CD1 4.11Å; Y166-L171 HydrophobicContact CD1-CB 4.04Å; Y166-L171 HydrophobicContact CD2-CD1 4.41Å; Y166-L171 HydrophobicContact CE1-CB 3.76Å; Y166-L171 HydrophobicContact CE1-CD1 4.14Å; Y166-L171 HydrophobicContact CE2-CD1 3.95Å
172I97.5Very high97.4Very high49 Ų4938.6 Ų38.625%0.25121%0.208SC..EExtended strand (participates in β ladder)trans-88.9-44.3168.7-58.9-54.8000110.1V165 V167 S170 V177 I178 L181 T190 L191V165-I172 PolarHBondContact O-N 2.99Å; V167-I172 HydrophobicContact CB-CD1 4.03Å; V167-I172 HydrophobicContact CB-CG1 3.94Å; V167-I172 HydrophobicContact CG2-CD1 3.98Å; V167-I172 HydrophobicContact CG2-CG1 3.46Å; V167-I172 VanDerWaalsContact CG2-CG1 3.46Å; S170-I172 PolarHBondContact O-N 3.06Å; I172-V177 HydrophobicContact CG2-CG1 4.43Å; I172-I178 HydrophobicContact CG2-CD1 4.22Å; I172-L181 HydrophobicContact CG2-CD1 4.01Å; I172-T190 HydrophobicContact CD1-CG2 4.48Å; I172-T190 HydrophobicContact CG2-CG2 4.35Å; I172-L191 HydrophobicContact CB-CD2 4.48Å; I172-L191 HydrophobicContact CG1-CD2 4.03Å; I172-L191 HydrophobicContact CG2-CD2 4.2Å
173G97.5Very high97.3Very high0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans152.4-163.7177.200000113.5V165V165-G173 PolarHBondContact N-O 3.3Å; V165-G173 PolarHBondContact O-N 3.47Å
174G97.5Very high97.2Very high3 Ų347.8 Ų47.83%0.03126%0.261CS..  trans-96.5-165.8174.400000113.4W159 P163 D176 V177 I178W159-G174 VanDerWaalsContact CZ2-N 3.32Å; P163-G174 VanDerWaalsContact O-CA 3.28Å; P163-G174 WeakPolarHBondContact O-CA 3.34Å; G174-D176 VanDerWaalsContact C-N 3.29Å; G174-D176 PolarHBondContact O-N 3.32Å; G174-V177 PolarHBondContact O-N 3.49Å; G174-I178 WeakPolarHBondContact O-CG1 3.26Å; G174-I178 PolarHBondContact O-N 2.91Å
175L98.2Very high97Very high8 Ų857 Ų574%0.04230%0.3CS..Hα-helixtrans-55.6-40.5179.6175.264.2000113.4F123 A126 L127 I130 P163 I178 R179F123-L175 HydrophobicContact CB-CD2 4.03Å; F123-L175 HydrophobicContact CD1-CD2 3.86Å; F123-L175 HydrophobicContact CG-CD2 4.46Å; A126-L175 HydrophobicContact CB-CD1 4.01Å; A126-L175 HydrophobicContact CB-CD2 3.84Å; L127-L175 HydrophobicContact CB-CD1 3.95Å; L127-L175 HydrophobicContact CD1-CD1 4.45Å; I130-L175 HydrophobicContact CD1-CD1 3.86Å; P163-L175 HydrophobicContact CG-CB 4.27Å; L175-I178 PolarHBondContact O-N 3.41Å; L175-R179 HydrophobicContact CD1-CG 4.22Å; L175-R179 HydrophobicContact CG-CG 4.45Å; L175-R179 WeakPolarHBondContact O-CG 3.34Å; L175-R179 PolarHBondContact O-N 3.27Å
176D97.9Very high96.9Very high100 Ų10062.1 Ų62.154%0.53532%0.324SS..Hα-helixtrans-68.4-43.1-174.2-58.2-37.6000111.2G174 I178 R179 E180G174-D176 VanDerWaalsContact C-N 3.29Å; G174-D176 PolarHBondContact O-N 3.32Å; D176-I178 VanDerWaalsContact C-N 3.3Å; D176-I178 PolarHBondContact O-N 3.28Å; D176-R179 WeakPolarHBondContact O-CB 3.41Å; D176-R179 PolarHBondContact O-N 3.35Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 IonicContact OD1-NH1 3.55Å; D176-E180 WeakPolarHBondContact O-CG 3.5Å; D176-E180 PolarHBondContact O-N 3.02Å
177V98Very high96.7Very high40 Ų4062 Ų6224%0.24232%0.324CS..Hα-helixtrans-59-43172.1179.30000111.1W159 I172 G174 R179 E180 L181W159-V177 HydrophobicContact CH2-CG2 3.97Å; W159-V177 HydrophobicContact CZ2-CG2 4.4Å; I172-V177 HydrophobicContact CG2-CG1 4.43Å; G174-V177 PolarHBondContact O-N 3.49Å; V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 3.04Å; V177-E180 PolarHBondContact O-N 3.07Å; V177-L181 HydrophobicContact CG1-CD1 4.15Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 3.12Å
178I98.1Very high96.6Very high0 Ų064.9 Ų64.90%034%0.338CS..Hα-helixtrans-66.1-35.2179.1-64.1-65.9000111.9L127 I130 V165 I172 G174 L175 D176 L181 D182 L187 L191L127-I178 HydrophobicContact CD1-CB 3.86Å; L127-I178 HydrophobicContact CD1-CG1 3.82Å; L127-I178 HydrophobicContact CD1-CG2 3.58Å; I130-I178 HydrophobicContact CG2-CG2 3.96Å; V165-I178 HydrophobicContact CB-CD1 4.2Å; V165-I178 HydrophobicContact CB-CG1 4.45Å; V165-I178 HydrophobicContact CG1-CD1 4.21Å; V165-I178 HydrophobicContact CG2-CD1 4.12Å; V165-I178 HydrophobicContact CG2-CG1 3.92Å; I172-I178 HydrophobicContact CG2-CD1 4.22Å; G174-I178 WeakPolarHBondContact O-CG1 3.26Å; G174-I178 PolarHBondContact O-N 2.91Å; L175-I178 PolarHBondContact O-N 3.41Å; D176-I178 VanDerWaalsContact C-N 3.3Å; D176-I178 PolarHBondContact O-N 3.28Å; I178-L181 HydrophobicContact CD1-CD1 4.48Å; I178-D182 WeakPolarHBondContact O-CB 3.31Å; I178-D182 PolarHBondContact O-N 3.16Å; I178-L187 HydrophobicContact CD1-CD1 3.95Å; I178-L187 HydrophobicContact CG2-CD1 3.84Å; I178-L187 HydrophobicContact CG2-CD2 4.48Å; I178-L191 HydrophobicContact CD1-CD1 4.42Å; I178-L191 HydrophobicContact CD1-CD2 4.22Å
179R98.2Very high96.6Very high91 Ų9161.8 Ų61.834%0.34333%0.326SS..Hα-helixtrans-66.2-45.3173.7-77.6171.7169.5164.3-9.4111.8I130 L175 D176 V177 L181 D182 E183I130-R179 HydrophobicContact CD1-CG 3.55Å; L175-R179 HydrophobicContact CD1-CG 4.22Å; L175-R179 HydrophobicContact CG-CG 4.45Å; L175-R179 WeakPolarHBondContact O-CG 3.34Å; L175-R179 PolarHBondContact O-N 3.27Å; D176-R179 WeakPolarHBondContact O-CB 3.41Å; D176-R179 PolarHBondContact O-N 3.35Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 IonicContact OD1-NH1 3.55Å; V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 3.04Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 2.87Å; R179-D182 WeakPolarHBondContact O-CB 3.37Å; R179-D182 PolarHBondContact O-N 3.22Å; R179-D182 VanDerWaalsContact O-N 3.14Å; R179-E183 WeakPolarHBondContact O-CB 3.49Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 3.02Å
180E98.1Very high96.5Very high132 Ų13263 Ų6362%0.61733%0.327SS*.Hα-helixtrans-58.6-44177-71.3172.4-169.500110.9D176 V177 D182 E183 A184D176-E180 WeakPolarHBondContact O-CG 3.5Å; D176-E180 PolarHBondContact O-N 3.02Å; V177-E180 PolarHBondContact O-N 3.07Å; E180-D182 PolarHBondContact O-N 3.07Å; E180-E183 PolarHBondContact O-N 3.3Å; E180-A184 VanDerWaalsContact O-CB 3.26Å; E180-A184 WeakPolarHBondContact O-CB 3.5Å; E180-A184 PolarHBondContact O-N 3.05Å
181L97.5Very high96.5Very high26 Ų2659.3 Ų59.314%0.13630%0.302CS..Hα-helixtrans-65-36.1175.4-69.4172.4000113.3I172 V177 I178 R179 K185 E186 L187 T190I172-L181 HydrophobicContact CG2-CD1 4.01Å; V177-L181 HydrophobicContact CG1-CD1 4.15Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 3.12Å; I178-L181 HydrophobicContact CD1-CD1 4.48Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 2.87Å; L181-K185 PolarHBondContact O-N 3.46Å; L181-E186 HydrophobicContact CD2-CB 4.17Å; L181-E186 PolarHBondContact O-N 3.3Å; L181-L187 HydrophobicContact CB-CB 4.18Å; L181-L187 HydrophobicContact CB-CD1 4Å; L181-L187 HydrophobicContact CD1-CD1 4.42Å; L181-L187 PolarHBondContact O-N 3.43Å; L181-T190 HydrophobicContact CD1-CG2 3.93Å
182D97.4Very high96Very high52 Ų5259.6 Ų59.628%0.27830%0.302SS..Hα-helixtrans-68.5-46176.7-169.246.9000111.2I130 N134 I178 R179 E180 A184 K185 L187I130-D182 HydrophobicContact CG2-CB 3.94Å; N134-D182 PolarHBondContact ND2-OD1 3.24Å; I178-D182 WeakPolarHBondContact O-CB 3.31Å; I178-D182 PolarHBondContact O-N 3.16Å; R179-D182 WeakPolarHBondContact O-CB 3.37Å; R179-D182 PolarHBondContact O-N 3.22Å; R179-D182 VanDerWaalsContact O-N 3.14Å; E180-D182 PolarHBondContact O-N 3.07Å; D182-A184 VanDerWaalsContact C-N 3.31Å; D182-A184 PolarHBondContact O-N 2.86Å; D182-K185 PolarHBondContact O-N 3.36Å; D182-L187 HydrophobicContact CB-CD2 4.22Å
183E96.7Very high95.1Very high158 Ų15858.9 Ų58.974%0.73831%0.307SS*.Hα-helixtrans-62.8-37.7176.4-71.8175.3-168.600111.8R179 E180 K185R179-E183 WeakPolarHBondContact O-CB 3.49Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 3.02Å; E180-E183 PolarHBondContact O-N 3.3Å; E183-K185 VanDerWaalsContact C-N 3.25Å; E183-K185 PolarHBondContact O-N 3.17Å
184A96.7Very high93Very high53 Ų5365.3 Ų65.344%0.43834%0.341SS..THydrogen-bonded Turntrans-75.2-8.8174.400000114E180 D182 E186E180-A184 VanDerWaalsContact O-CB 3.26Å; E180-A184 WeakPolarHBondContact O-CB 3.5Å; E180-A184 PolarHBondContact O-N 3.05Å; D182-A184 VanDerWaalsContact C-N 3.31Å; D182-A184 PolarHBondContact O-N 2.86Å; A184-E186 HydrophobicContact CB-CB 4.35Å; A184-E186 HydrophobicContact CB-CG 4.02Å; A184-E186 PolarHBondContact O-N 3.18Å
185K94Very high90.4Very high192 Ų19269.3 Ų69.384%0.83537%0.374SS*.THydrogen-bonded Turntrans59.326.9-171.2-53.4-179.2179.8177.60114L181 D182 E183L181-K185 PolarHBondContact O-N 3.46Å; D182-K185 PolarHBondContact O-N 3.36Å; E183-K185 VanDerWaalsContact C-N 3.25Å; E183-K185 PolarHBondContact O-N 3.17Å
186E95.3Very high87.6Confident108 Ų10874.6 Ų74.651%0.50541%0.407SS..  trans-104-2.4179.8-65.3-178.4176.200112.4L181 A184 I188 S189 T190L181-E186 HydrophobicContact CD2-CB 4.17Å; L181-E186 PolarHBondContact O-N 3.3Å; A184-E186 HydrophobicContact CB-CB 4.35Å; A184-E186 HydrophobicContact CB-CG 4.02Å; A184-E186 PolarHBondContact O-N 3.18Å; E186-I188 PolarHBondContact O-N 2.77Å; E186-S189 PolarHBondContact O-OG 2.98Å; E186-T190 VanDerWaalsContact O-CB 3.29Å; E186-T190 WeakPolarHBondContact O-CB 3.34Å; E186-T190 PolarHBondContact O-N 3.49Å; E186-T190 PolarHBondContact O-OG1 2.97Å
187L95.5Very high84.5Confident2 Ų279.4 Ų79.41%0.0142%0.423CS..Hα-helixtrans-57.9-51.9-175.7-176.566.1000113I130 N134 I178 L181 D182 T190 L191I130-L187 HydrophobicContact CG2-CD2 3.8Å; N134-L187 HydrophobicContact CB-CD2 4.24Å; I178-L187 HydrophobicContact CD1-CD1 3.95Å; I178-L187 HydrophobicContact CG2-CD1 3.84Å; I178-L187 HydrophobicContact CG2-CD2 4.48Å; L181-L187 HydrophobicContact CB-CB 4.18Å; L181-L187 HydrophobicContact CB-CD1 4Å; L181-L187 HydrophobicContact CD1-CD1 4.42Å; L181-L187 PolarHBondContact O-N 3.43Å; D182-L187 HydrophobicContact CB-CD2 4.22Å; L187-T190 PolarHBondContact O-N 3.14Å; L187-L191 HydrophobicContact CD1-CD1 3.57Å; L187-L191 HydrophobicContact CD1-CG 3.88Å; L187-L191 HydrophobicContact CG-CD1 4.03Å; L187-L191 HydrophobicContact CG-CG 4.41Å; L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 WeakPolarHBondContact O-CG 3.44Å; L187-L191 PolarHBondContact O-N 3.47Å
188I94.4Very high81.7Confident77 Ų7785 Ų8540%0.39545%0.452SS..Hα-helixtrans-64.5-46.9-175.4-62.9175.6000110.6N134 E186 T190 L191 Q192N134-I188 HydrophobicContact CB-CG1 4.45Å; E186-I188 PolarHBondContact O-N 2.77Å; I188-T190 VanDerWaalsContact C-N 3.26Å; I188-T190 PolarHBondContact O-N 3.41Å; I188-L191 PolarHBondContact O-N 2.93Å; I188-Q192 WeakPolarHBondContact O-CB 3.44Å; I188-Q192 PolarHBondContact O-N 2.97Å
189S93.5Very high78.5Confident50 Ų5097.7 Ų97.735%0.3551%0.511SS..Hα-helixtrans-60.9-37177.646.30000112.2E186 G193E186-S189 PolarHBondContact O-OG 2.98Å; S189-G193 CarbonylContact O-C 3.16Å; S189-G193 WeakPolarHBondContact O-CA 3.43Å; S189-G193 PolarHBondContact O-N 2.93Å
190T93Very high77.5Confident51 Ų5198.1 Ų98.131%0.31352%0.519SS..Hα-helixtrans-71.1-45178.5-57.40000111.8I172 L181 E186 L187 I188I172-T190 HydrophobicContact CD1-CG2 4.48Å; I172-T190 HydrophobicContact CG2-CG2 4.35Å; L181-T190 HydrophobicContact CD1-CG2 3.93Å; E186-T190 VanDerWaalsContact O-CB 3.29Å; E186-T190 WeakPolarHBondContact O-CB 3.34Å; E186-T190 PolarHBondContact O-N 3.49Å; E186-T190 PolarHBondContact O-OG1 2.97Å; L187-T190 PolarHBondContact O-N 3.14Å; I188-T190 VanDerWaalsContact C-N 3.26Å; I188-T190 PolarHBondContact O-N 3.41Å
191L93.8Very high76.5Confident0 Ų096.3 Ų96.30%051%0.514CS..Hα-helixtrans-85.1-36.5-172.5-63.6-171.1000114.3I108 L131 V136 V165 V167 I172 I178 L187 I188I108-L191 HydrophobicContact CD1-CB 3.86Å; I108-L191 WeakPolarHBondContact CD1-O 3.5Å; L131-L191 HydrophobicContact CD2-CD1 3.63Å; V136-L191 HydrophobicContact CG1-CD1 4.2Å; V136-L191 HydrophobicContact CG2-CD1 4.49Å; V165-L191 HydrophobicContact CG1-CD2 4.2Å; V167-L191 WeakPolarHBondContact CG1-O 3.46Å; V167-L191 HydrophobicContact CG2-CB 4.3Å; V167-L191 HydrophobicContact CG2-CD2 3.48Å; V167-L191 VanDerWaalsContact CG2-CD2 3.48Å; V167-L191 HydrophobicContact CG2-CG 4.49Å; I172-L191 HydrophobicContact CB-CD2 4.48Å; I172-L191 HydrophobicContact CG1-CD2 4.03Å; I172-L191 HydrophobicContact CG2-CD2 4.2Å; I178-L191 HydrophobicContact CD1-CD1 4.42Å; I178-L191 HydrophobicContact CD1-CD2 4.22Å; L187-L191 HydrophobicContact CD1-CD1 3.57Å; L187-L191 HydrophobicContact CD1-CG 3.88Å; L187-L191 HydrophobicContact CG-CD1 4.03Å; L187-L191 HydrophobicContact CG-CG 4.41Å; L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 WeakPolarHBondContact O-CG 3.44Å; L187-L191 PolarHBondContact O-N 3.47Å; I188-L191 PolarHBondContact O-N 2.93Å
192Q88.4Confident75.3Confident59 Ų59100.2 Ų100.228%0.27654%0.535SS..Hα-helixtrans-97.7-6.2-177-63.9-176.5-16.500112.4K107 I108 I188K107-Q192 PolarHBondContact NZ-O 2.86Å; I108-Q192 HydrophobicContact CD1-CG 4.21Å; I188-Q192 WeakPolarHBondContact O-CB 3.44Å; I188-Q192 PolarHBondContact O-N 2.97Å
193G76.7Confident74Confident35 Ų35103 Ų10336%0.36155%0.55SS.*  trans69.5165.2-163.100000110.4S189 A195S189-G193 CarbonylContact O-C 3.16Å; S189-G193 WeakPolarHBondContact O-CA 3.43Å; S189-G193 PolarHBondContact O-N 2.93Å; G193-A195 PolarHBondContact O-N 3.03Å
194N53.9Low72.6Confident135 Ų13599.6 Ų99.672%0.72254%0.538SS*.  trans-6393.9167.9-75.2-2.1000108T196N194-T196 PolarHBondContact O-N 3.16Å
195A43.9Very low71Confident86 Ų86102.7 Ų102.771%0.71155%0.545SS*.  trans-58.190.9152.400000105.1G193 K197G193-A195 PolarHBondContact O-N 3.03Å; A195-K197 PolarHBondContact O-N 3.41Å; A195-K197 VanDerWaalsContact O-N 3.14Å
196T38.1Very low69.3Low120 Ų12096.3 Ų96.374%0.73652%0.524SS*.  trans-49.1123.8163.123.20000105.8N194 N198N194-T196 PolarHBondContact O-N 3.16Å; T196-N198 PolarHBondContact O-N 2.93Å
197K34.4Very low67.3Low201 Ų20195.4 Ų95.487%0.87453%0.526SS*.  trans-43.1105.1173.9-61.7169.2177.2178.90108.3A195 E199A195-K197 PolarHBondContact O-N 3.41Å; A195-K197 VanDerWaalsContact O-N 3.14Å; K197-E199 PolarHBondContact O-N 3.43Å
198N39.2Very low65Low158 Ų158103.2 Ų103.285%0.84557%0.569SS**  trans-76.4110152.3-84.1-5.2000104.7T196T196-N198 PolarHBondContact O-N 2.93Å
199E30.4Very low62.3Low266 Ų266105.5 Ų105.5100%1.24359%0.585SS**  trans-30165.3-69.6167.7134.400118.4K197K197-E199 PolarHBondContact O-N 3.43Å

Retrieved 199 of 199 residues in 895.4 ms (Link to these results)

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