A0A087YK26_POEFO Loading...

Essential for reactive oxygen species protein

AlphaFold DB , UniProt , Accession A0A087YK26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1M48.1Very low70.4Confident124 Ų12467.5 Ų67.561%0.61140%0.402SS*.  0100.80-96.9-173.3163.500105.5R23M1-R23 HydrophobicContact CE-CB 4.08Å; M1-R23 HydrophobicContact CE-CG 3.94Å; M1-R23 PolarHBondContact SD-NH1 2.95Å; M1-R23 PolarHBondContact SD-NH2 3.47Å
2G58.5Low70.8Confident50 Ų5066.9 Ų66.952%0.51540%0.4SS..  trans-81.2147.6178.600000110.4
3Y65.8Low71.6Confident4 Ų466.1 Ų66.12%0.01639%0.392CS..SBendtrans-65.8-62.2179.8178.7-121.8000112.1R18 V127 L139 T140 T144 V151 V154Y3-R18 VanDerWaalsContact O-CD 3.24Å; Y3-R18 WeakPolarHBondContact O-CD 3.45Å; Y3-R18 VanDerWaalsContact O-CG 3.3Å; Y3-R18 WeakPolarHBondContact O-CG 3.44Å; Y3-V127 HydrophobicContact CE1-CB 4.26Å; Y3-V127 HydrophobicContact CE1-CG2 3.64Å; Y3-V127 PolarHBondContact OH-N 3.18Å; Y3-V127 VanDerWaalsContact OH-N 3.08Å; Y3-L139 HydrophobicContact CE1-CD2 4.39Å; Y3-T140 HydrophobicContact CD2-CG2 4.4Å; Y3-T140 HydrophobicContact CE1-CG2 4.22Å; Y3-T140 HydrophobicContact CE2-CG2 3.55Å; Y3-T140 WeakPolarHBondContact CE2-OG1 3.23Å; Y3-T140 VanDerWaalsContact CZ-CG2 3.44Å; Y3-T140 VanDerWaalsContact CZ-OG1 3.32Å; Y3-T140 VanDerWaalsContact OH-CG2 3.31Å; Y3-T140 WeakPolarHBondContact OH-CG2 3.3Å; Y3-T140 PolarHBondContact OH-OG1 2.89Å; Y3-T144 HydrophobicContact CD2-CG2 3.65Å; Y3-T144 WeakPolarHBondContact CD2-OG1 3.41Å; Y3-T144 HydrophobicContact CE2-CG2 4.4Å; Y3-V151 HydrophobicContact CD1-CG1 4.44Å; Y3-V151 HydrophobicContact CD1-CG2 4.32Å; Y3-V151 HydrophobicContact CD2-CG2 4.25Å; Y3-V151 HydrophobicContact CE1-CG1 4.26Å; Y3-V151 HydrophobicContact CG-CG2 4.03Å; Y3-V154 HydrophobicContact CD1-CB 4.21Å; Y3-V154 HydrophobicContact CD1-CG1 4.31Å; Y3-V154 HydrophobicContact CD1-CG2 4.19Å; Y3-V154 HydrophobicContact CE1-CG1 4.45Å
4M72.7Confident72.4Confident14 Ų1461.4 Ų61.47%0.06936%0.364CS..  trans-138.6142.8170.8-81.5-179.5156.500108.9L16 R18 E68 A70 L139 T140M4-L16 HydrophobicContact CB-CB 4.21Å; M4-L16 HydrophobicContact CG-CB 4.48Å; M4-L16 HydrophobicContact SD-CB 3.84Å; M4-L16 HydrophobicContact SD-CD1 4Å; M4-R18 HydrophobicContact CG-CB 4.21Å; M4-E68 HydrophobicContact CE-CB 4.2Å; M4-A70 HydrophobicContact CE-CB 3.99Å; M4-A70 HydrophobicContact SD-CB 4.41Å; M4-L139 HydrophobicContact CE-CG 4.33Å; M4-L139 HydrophobicContact SD-CD2 3.86Å; M4-L139 HydrophobicContact SD-CG 4.12Å; M4-T140 HydrophobicContact CE-CG2 3.53Å; M4-T140 HydrophobicContact CG-CG2 4.37Å; M4-T140 HydrophobicContact SD-CG2 4.12Å
5T76.1Confident73.2Confident82 Ų8259.3 Ų59.350%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-100.3137.7174.455.10000110.1E7 L16 K17T5-E7 PolarHBondContact O-N 2.69Å; T5-L16 WeakPolarHBondContact O-CA 3.43Å; T5-K17 PolarHBondContact N-O 3.15Å; T5-K17 PolarHBondContact O-N 3.42Å; T5-K17 PolarHBondContact OG1-O 3.44Å
6V78.1Confident73.9Confident62 Ų6255.6 Ų55.638%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-79.7109.3177.4-176.30000108.1N9 L14 L16 L157V6-N9 HydrophobicContact CG1-CB 3.9Å; V6-L14 HydrophobicContact CG1-CD1 3.99Å; V6-L16 HydrophobicContact CB-CD2 4.27Å; V6-L16 HydrophobicContact CG2-CD2 3.65Å; V6-L157 HydrophobicContact CG2-CD1 3.73Å
7E75.1Confident74.5Confident105 Ų10555.7 Ų55.749%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-86.2-36.7178.8-172.2173.2-172.300111.1T5 H15 K17T5-E7 PolarHBondContact O-N 2.69Å; E7-H15 PolarHBondContact N-O 3.12Å; E7-H15 IonicContact OE2-CE1 3.75Å; E7-H15 PolarHBondContact OE2-CE1 2.92Å; E7-H15 IonicContact OE2-ND1 3.53Å; E7-H15 PolarHBondContact OE2-ND1 3.38Å; E7-H15 VanDerWaalsContact OE2-ND1 3.16Å; E7-H15 IonicContact OE2-NE2 3Å; E7-K17 VanDerWaalsContact OE2-CD 3.29Å; E7-K17 WeakPolarHBondContact OE2-CD 3.46Å
8T74.6Confident74.7Confident65 Ų6554.5 Ų54.540%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-144.3128176.5-56.10000110L13 L14 H15T8-L13 HydrophobicContact CG2-CD2 4.13Å; T8-L14 WeakPolarHBondContact O-CA 3.28Å; T8-H15 PolarHBondContact N-O 3.14Å; T8-H15 PolarHBondContact O-N 2.8Å
9N76Confident74.9Confident92 Ų9255.4 Ų55.449%0.49232%0.322SS..EExtended strand (participates in β ladder)trans-123.3101.6173.2-169.5-28000108.7V6 L14V6-N9 HydrophobicContact CG1-CB 3.9Å; N9-L14 HydrophobicContact CB-CD1 4.35Å
10S78Confident75.1Confident41 Ų4153.1 Ų53.129%0.28731%0.308SS..  trans-117.9152171.9177.90000107.8T12 L13 F161S10-T12 PolarHBondContact O-N 3.5Å; S10-L13 PolarHBondContact N-O 2.59Å; S10-L13 CarbonylContact O-C 3.59Å; S10-L13 PolarHBondContact O-N 3.09Å; S10-L13 VanDerWaalsContact O-N 3.16Å; S10-L13 VanDerWaalsContact O-O 3.04Å; S10-F161 WeakPolarHBondContact O-CE2 3.16Å
11P71.6Confident75.2Confident103 Ų10351.3 Ų51.367%0.66930%0.302SS*.SBendtrans-52.2-24.9178.219.2-34.7000114.6K74 F161P11-K74 WeakPolarHBondContact O-CD 3.3Å; P11-K74 PolarHBondContact O-NZ 2.97Å; P11-F161 WeakPolarHBondContact O-CE2 3.11Å
12T75.3Confident76.7Confident61 Ų6152.4 Ų52.437%0.37431%0.309SS..SBendtrans-107.9-18.6-177.7520000114.9S10 K74 T75S10-T12 PolarHBondContact O-N 3.5Å; T12-K74 PolarHBondContact O-N 2.96Å; T12-T75 HydrophobicContact CG2-CG2 3.97Å
13L80.7Confident77.8Confident56 Ų5657.4 Ų57.429%0.29331%0.312SS..EExtended strand (participates in β ladder)trans-138.8124.1-174.7-174.4148.5000110.5T8 S10 H15 F72T8-L13 HydrophobicContact CG2-CD2 4.13Å; S10-L13 PolarHBondContact N-O 2.59Å; S10-L13 CarbonylContact O-C 3.59Å; S10-L13 PolarHBondContact O-N 3.09Å; S10-L13 VanDerWaalsContact O-N 3.16Å; S10-L13 VanDerWaalsContact O-O 3.04Å; L13-H15 HydrophobicContact CD2-CB 4.08Å; L13-F72 WeakPolarHBondContact CA-O 2.95Å
14L82.8Confident78.7Confident0 Ų057.4 Ų57.40%031%0.313CS..EExtended strand (participates in β ladder)trans-118117.8172.6178.972.1000109.1V6 T8 N9 L16 F72 L157 L158 F161V6-L14 HydrophobicContact CG1-CD1 3.99Å; T8-L14 WeakPolarHBondContact O-CA 3.28Å; N9-L14 HydrophobicContact CB-CD1 4.35Å; L14-L16 HydrophobicContact CD1-CD2 4.41Å; L14-L16 HydrophobicContact CD2-CG 4.49Å; L14-L16 HydrophobicContact CG-CD2 4.4Å; L14-L16 HydrophobicContact CG-CG 4.36Å; L14-F72 HydrophobicContact CB-CB 4.21Å; L14-F72 HydrophobicContact CD2-CD2 4.29Å; L14-F72 PolarHBondContact N-O 3.33Å; L14-F72 PolarHBondContact O-N 2.84Å; L14-L157 HydrophobicContact CD1-CD2 3.62Å; L14-L157 HydrophobicContact CD2-CD2 3.57Å; L14-L157 HydrophobicContact CG-CD2 4.25Å; L14-L158 HydrophobicContact CD2-CD2 3.48Å; L14-L158 VanDerWaalsContact CD2-CD2 3.48Å; L14-L158 HydrophobicContact CD2-CG 4.37Å; L14-F161 HydrophobicContact CB-CD1 3.85Å; L14-F161 HydrophobicContact CB-CD2 4.3Å; L14-F161 HydrophobicContact CB-CE1 3.62Å; L14-F161 HydrophobicContact CB-CE2 4.12Å; L14-F161 HydrophobicContact CB-CG 4.18Å; L14-F161 HydrophobicContact CB-CZ 3.76Å; L14-F161 HydrophobicContact CD2-CB 4.27Å; L14-F161 HydrophobicContact CD2-CD1 3.96Å; L14-F161 HydrophobicContact CD2-CG 4.1Å
15H84.9Confident79.4Confident30 Ų3062.4 Ų62.414%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-111.9117.2177.1-172.2-157000109.7E7 T8 L13 V71E7-H15 PolarHBondContact N-O 3.12Å; E7-H15 IonicContact OE2-CE1 3.75Å; E7-H15 PolarHBondContact OE2-CE1 2.92Å; E7-H15 IonicContact OE2-ND1 3.53Å; E7-H15 PolarHBondContact OE2-ND1 3.38Å; E7-H15 VanDerWaalsContact OE2-ND1 3.16Å; E7-H15 IonicContact OE2-NE2 3Å; T8-H15 PolarHBondContact N-O 3.14Å; T8-H15 PolarHBondContact O-N 2.8Å; L13-H15 HydrophobicContact CD2-CB 4.08Å; H15-V71 VanDerWaalsContact CD2-CG2 3.42Å; H15-V71 WeakPolarHBondContact CD2-CG2 3.29Å
16L83.8Confident79.9Confident1 Ų161.9 Ų61.91%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-107.9133.8175.1-60.6178.4000108.8M4 T5 V6 L14 E69 A70 F72 L139 V154 L158M4-L16 HydrophobicContact CB-CB 4.21Å; M4-L16 HydrophobicContact CG-CB 4.48Å; M4-L16 HydrophobicContact SD-CB 3.84Å; M4-L16 HydrophobicContact SD-CD1 4Å; T5-L16 WeakPolarHBondContact O-CA 3.43Å; V6-L16 HydrophobicContact CB-CD2 4.27Å; V6-L16 HydrophobicContact CG2-CD2 3.65Å; L14-L16 HydrophobicContact CD1-CD2 4.41Å; L14-L16 HydrophobicContact CD2-CG 4.49Å; L14-L16 HydrophobicContact CG-CD2 4.4Å; L14-L16 HydrophobicContact CG-CG 4.36Å; L16-E69 CarbonylContact O-C 3.58Å; L16-E69 WeakPolarHBondContact O-CA 3.36Å; L16-A70 HydrophobicContact CB-CB 4.24Å; L16-A70 PolarHBondContact N-O 3.35Å; L16-A70 PolarHBondContact O-N 3.26Å; L16-F72 HydrophobicContact CD1-CE2 4.12Å; L16-L139 HydrophobicContact CD1-CD2 4.49Å; L16-V154 HydrophobicContact CD1-CG1 4.02Å; L16-L158 HydrophobicContact CD1-CD1 4.33Å; L16-L158 HydrophobicContact CD1-CD2 4.13Å; L16-L158 HydrophobicContact CD1-CG 4.4Å
17K84Confident80.4Confident57 Ų5762.9 Ų62.925%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-131.7139179-177.4165.2-174.81470110.9T5 E7 E69T5-K17 PolarHBondContact N-O 3.15Å; T5-K17 PolarHBondContact O-N 3.42Å; T5-K17 PolarHBondContact OG1-O 3.44Å; E7-K17 VanDerWaalsContact OE2-CD 3.29Å; E7-K17 WeakPolarHBondContact OE2-CD 3.46Å; K17-E69 HydrophobicContact CD-CG 4.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.42Å; K17-E69 HydrophobicContact CG-CG 4.06Å; K17-E69 IonicContact NZ-OE1 3.88Å; K17-E69 PolarHBondContact NZ-OE1 3.16Å
18R79.4Confident81Confident34 Ų3459.5 Ų59.513%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-121.1114.3171.4-173.8-177.2178.1-179-8.2108.7Y3 M4 E68 S142 T144Y3-R18 VanDerWaalsContact O-CD 3.24Å; Y3-R18 WeakPolarHBondContact O-CD 3.45Å; Y3-R18 VanDerWaalsContact O-CG 3.3Å; Y3-R18 WeakPolarHBondContact O-CG 3.44Å; M4-R18 HydrophobicContact CG-CB 4.21Å; R18-E68 HydrophobicContact CB-CB 4.15Å; R18-E68 WeakPolarHBondContact CD-OE2 3.34Å; R18-E68 IonicContact CZ-OE2 2.84Å; R18-E68 PolarHBondContact N-O 2.89Å; R18-E68 IonicContact NE-OE2 2.98Å; R18-E68 IonicContact NH1-OE1 2.86Å; R18-E68 IonicContact NH1-OE2 3.81Å; R18-E68 PolarHBondContact NH1-OE2 2.91Å; R18-E68 PolarHBondContact O-N 3.37Å; R18-S142 VanDerWaalsContact CZ-OG 3.25Å; R18-S142 PolarHBondContact NH1-O 3.27Å; R18-S142 PolarHBondContact NH1-OG 3.05Å; R18-S142 PolarHBondContact NH2-OG 3.41Å; R18-S142 VanDerWaalsContact NH2-OG 3.09Å; R18-T144 VanDerWaalsContact NH2-CG2 3.3Å
19S78.5Confident81.8Confident72 Ų7260.8 Ų60.850%0.50333%0.326SS..PPolyproline II helixtrans-93.1154.3170.953.60000110.5G21S19-G21 PolarHBondContact O-N 3.2Å
20P78.3Confident82.6Confident8 Ų858.1 Ų58.15%0.05232%0.32CS..PPolyproline II helixtrans-56.8139175.4-5.13.7000110.7W25 M64 D65 W67P20-W25 HydrophobicContact CG-CZ2 4.43Å; P20-W25 PolarHBondContact O-NE1 3.32Å; P20-M64 HydrophobicContact CB-CE 3.36Å; P20-M64 HydrophobicContact CG-CE 3.73Å; P20-D65 HydrophobicContact CB-CB 4.13Å; P20-W67 HydrophobicContact CB-CH2 4.45Å; P20-W67 VanDerWaalsContact CD-CD2 3.49Å; P20-W67 VanDerWaalsContact CD-NE1 3.28Å; P20-W67 HydrophobicContact CG-CD2 3.65Å; P20-W67 HydrophobicContact CG-CE3 3.75Å; P20-W67 HydrophobicContact CG-CG 4.48Å; P20-W67 HydrophobicContact CG-CH2 3.21Å; P20-W67 HydrophobicContact CG-CZ2 3.16Å; P20-W67 HydrophobicContact CG-CZ3 3.51Å
21G77.4Confident83.2Confident17 Ų1758.2 Ų58.218%0.17532%0.317CS..PPolyproline II helixtrans-69.6162-179.300000112.5S19 R23 S24 W25S19-G21 PolarHBondContact O-N 3.2Å; G21-R23 PolarHBondContact O-N 2.7Å; G21-R23 VanDerWaalsContact O-N 3.09Å; G21-S24 WeakPolarHBondContact O-CB 3.08Å; G21-S24 PolarHBondContact O-N 3.29Å; G21-W25 PolarHBondContact O-N 3.41Å; G21-W25 VanDerWaalsContact O-N 3.17Å
22I80.1Confident84.1Confident147 Ų14754.6 Ų54.675%0.75430%0.296SS*.Hα-helixtrans-57.4-28.1177.2-157.5150000113S26I22-S26 VanDerWaalsContact O-CB 3.32Å; I22-S26 WeakPolarHBondContact O-CB 2.91Å; I22-S26 PolarHBondContact O-N 3.01Å; I22-S26 PolarHBondContact O-OG 3.29Å
23R81.3Confident85Confident154 Ų15454.7 Ų54.758%0.58130%0.299SS*.Hα-helixtrans-63.4-46.8174.1-64.1-165.8-135.3124.2-4.2111.6M1 G21 S26 L27M1-R23 HydrophobicContact CE-CB 4.08Å; M1-R23 HydrophobicContact CE-CG 3.94Å; M1-R23 PolarHBondContact SD-NH1 2.95Å; M1-R23 PolarHBondContact SD-NH2 3.47Å; G21-R23 PolarHBondContact O-N 2.7Å; G21-R23 VanDerWaalsContact O-N 3.09Å; R23-S26 WeakPolarHBondContact CA-OG 3.42Å; R23-S26 PolarHBondContact O-N 2.88Å; R23-S26 PolarHBondContact O-OG 3.18Å; R23-L27 WeakPolarHBondContact O-CG 3.23Å; R23-L27 PolarHBondContact O-N 2.8Å
24S84.2Confident85.5Confident4 Ų454.8 Ų54.83%0.02831%0.308CS..Hα-helixtrans-64.7-43.7-179.9-169.80000111G21 S26 L27 L28 N63 M64 D65G21-S24 WeakPolarHBondContact O-CB 3.08Å; G21-S24 PolarHBondContact O-N 3.29Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.37Å; S24-L27 PolarHBondContact O-N 3.47Å; S24-L28 PolarHBondContact O-N 2.72Å; S24-N63 PolarHBondContact OG-O 2.97Å; S24-M64 VanDerWaalsContact OG-CA 3.28Å; S24-M64 WeakPolarHBondContact OG-CA 3.43Å; S24-M64 VanDerWaalsContact OG-CE 3.31Å; S24-M64 WeakPolarHBondContact OG-CE 3.46Å; S24-M64 PolarHBondContact OG-SD 3.1Å; S24-M64 VanDerWaalsContact OG-SD 3.36Å; S24-D65 WeakPolarHBondContact CB-OD2 3.34Å; S24-D65 PolarHBondContact OG-N 2.82Å
25W86.8Confident85.9Confident120 Ų12054.8 Ų54.846%0.45531%0.308SS..Hα-helixtrans-59.2-41.3171.4-75.6106.5000113.2P20 G21 L28 V29 M64 W67P20-W25 HydrophobicContact CG-CZ2 4.43Å; P20-W25 PolarHBondContact O-NE1 3.32Å; G21-W25 PolarHBondContact O-N 3.41Å; G21-W25 VanDerWaalsContact O-N 3.17Å; W25-L28 HydrophobicContact CE3-CD2 4.45Å; W25-L28 HydrophobicContact CZ3-CD2 4.5Å; W25-L28 PolarHBondContact O-N 3.37Å; W25-V29 WeakPolarHBondContact O-CG2 3.29Å; W25-V29 PolarHBondContact O-N 2.95Å; W25-V29 VanDerWaalsContact O-N 3.09Å; W25-M64 HydrophobicContact CD2-CE 3.69Å; W25-M64 HydrophobicContact CE3-CE 4.12Å; W25-M64 HydrophobicContact CG-CE 3.87Å; W25-M64 HydrophobicContact CZ2-CE 4.39Å; W25-W67 HydrophobicContact CH2-CH2 4.44Å; W25-W67 HydrophobicContact CH2-CZ2 4.29Å; W25-W67 HydrophobicContact CZ2-CH2 4.15Å; W25-W67 AromaticContact CZ2-CZ2 3.76Å; W25-W67 HydrophobicContact CZ2-CZ2 3.76Å
26S87.8Confident86.1Confident70 Ų7058.2 Ų58.249%0.4933%0.327SS..Hα-helixtrans-66.3-37.4177.673.40000112.7I22 R23 S24 G30I22-S26 VanDerWaalsContact O-CB 3.32Å; I22-S26 WeakPolarHBondContact O-CB 2.91Å; I22-S26 PolarHBondContact O-N 3.01Å; I22-S26 PolarHBondContact O-OG 3.29Å; R23-S26 WeakPolarHBondContact CA-OG 3.42Å; R23-S26 PolarHBondContact O-N 2.88Å; R23-S26 PolarHBondContact O-OG 3.18Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.37Å; S26-G30 PolarHBondContact O-N 3.03Å
27L88Confident86.4Confident83 Ų8360.2 Ų60.244%0.43534%0.343SS..Hα-helixtrans-66.1-42.6175.7-74.1172.2000110.9R23 S24 G30 I31R23-L27 WeakPolarHBondContact O-CG 3.23Å; R23-L27 PolarHBondContact O-N 2.8Å; S24-L27 PolarHBondContact O-N 3.47Å; L27-G30 PolarHBondContact O-N 3.27Å; L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.44Å; L27-I31 PolarHBondContact O-N 2.84Å
28L88.3Confident86.7Confident34 Ų3459.7 Ų59.718%0.17835%0.35CS..Hα-helixtrans-59.3-50.5177.4-176.5120000111.3S24 W25 A32 A60 L61 M64S24-L28 PolarHBondContact O-N 2.72Å; W25-L28 HydrophobicContact CE3-CD2 4.45Å; W25-L28 HydrophobicContact CZ3-CD2 4.5Å; W25-L28 PolarHBondContact O-N 3.37Å; L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 2.66Å; L28-A60 HydrophobicContact CD1-CB 4.32Å; L28-A60 HydrophobicContact CG-CB 4.28Å; L28-L61 HydrophobicContact CD1-CD2 4.15Å; L28-M64 HydrophobicContact CB-SD 3.87Å; L28-M64 HydrophobicContact CD1-SD 3.75Å; L28-M64 HydrophobicContact CG-SD 4.36Å
29V90.6Very high87.2Confident92 Ų9258.5 Ų58.556%0.55835%0.347SS*.Hα-helixtrans-65.7-40.9178.2176.40000111.4W25 S33W25-V29 WeakPolarHBondContact O-CG2 3.29Å; W25-V29 PolarHBondContact O-N 2.95Å; W25-V29 VanDerWaalsContact O-N 3.09Å; V29-S33 WeakPolarHBondContact O-CB 3.46Å; V29-S33 PolarHBondContact O-N 3.16Å; V29-S33 PolarHBondContact O-OG 2.94Å
30G92.6Very high87.7Confident36 Ų3663.8 Ų63.837%0.37136%0.357SS..Hα-helixtrans-62.3-49.9179.700000112.7S26 L27 S33 A34S26-G30 PolarHBondContact O-N 3.03Å; L27-G30 PolarHBondContact O-N 3.27Å; G30-S33 PolarHBondContact O-OG 2.87Å; G30-A34 PolarHBondContact O-N 2.9Å; G30-A34 VanDerWaalsContact O-N 3.15Å
31I91.6Very high88.1Confident43 Ų4372.3 Ų72.322%0.22139%0.39CS..Hα-helixtrans-70.2-41.8-179.9-62.2166.4000110.7L27 S33 A34 G35 C56 V59 A60L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.44Å; L27-I31 PolarHBondContact O-N 2.84Å; I31-S33 PolarHBondContact O-N 3.44Å; I31-A34 PolarHBondContact O-N 2.87Å; I31-G35 PolarHBondContact O-N 3Å; I31-G35 VanDerWaalsContact O-N 3.1Å; I31-C56 HydrophobicContact CG2-CB 4.15Å; I31-C56 VanDerWaalsContact CG2-O 3.23Å; I31-C56 WeakPolarHBondContact CG2-O 3.34Å; I31-V59 HydrophobicContact CD1-CG1 4.34Å; I31-V59 HydrophobicContact CG2-CB 4.4Å; I31-V59 HydrophobicContact CG2-CG1 4.42Å; I31-A60 HydrophobicContact CB-CB 4.03Å; I31-A60 HydrophobicContact CG2-CB 4.06Å
32A90.8Very high88.4Confident27 Ų2772.5 Ų72.522%0.22339%0.389CS..Hα-helixtrans-63.4-41.117800000112.2L28 G35 L36L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 2.66Å; A32-G35 PolarHBondContact O-N 3.21Å; A32-L36 PolarHBondContact O-N 2.9Å
33S92.6Very high88.7Confident63 Ų6371.5 Ų71.544%0.44139%0.394SS..Hα-helixtrans-66.2-37177.462.40000112.4V29 G30 I31 L36 A37V29-S33 WeakPolarHBondContact O-CB 3.46Å; V29-S33 PolarHBondContact O-N 3.16Å; V29-S33 PolarHBondContact O-OG 2.94Å; G30-S33 PolarHBondContact O-OG 2.87Å; I31-S33 PolarHBondContact O-N 3.44Å; S33-L36 PolarHBondContact O-N 3.44Å; S33-A37 WeakPolarHBondContact O-CB 3.46Å; S33-A37 PolarHBondContact O-N 3.4Å
34A91.9Very high89Confident58 Ų5867.5 Ų67.548%0.47939%0.385SS..Hα-helixtrans-62.2-41.7172.600000112.1G30 I31 A37 A38G30-A34 PolarHBondContact O-N 2.9Å; G30-A34 VanDerWaalsContact O-N 3.15Å; I31-A34 PolarHBondContact O-N 2.87Å; A34-A37 PolarHBondContact O-N 3.03Å; A34-A38 WeakPolarHBondContact O-CB 3.25Å; A34-A38 PolarHBondContact O-N 2.94Å
35G90.2Very high89.1Confident0 Ų070.2 Ų70.20%040%0.403CS..Hα-helixtrans-63.7-40.7175.200000113.2I31 A32 A38 A39 C56I31-G35 PolarHBondContact O-N 3Å; I31-G35 VanDerWaalsContact O-N 3.1Å; A32-G35 PolarHBondContact O-N 3.21Å; G35-A38 PolarHBondContact O-N 2.88Å; G35-A39 WeakPolarHBondContact O-CB 3.41Å; G35-A39 PolarHBondContact O-N 2.8Å; G35-C56 WeakPolarHBondContact CA-SG 3.43Å
36L89.8Confident89.2Confident102 Ų10269.6 Ų69.653%0.53441%0.413SS..Hα-helixtrans-63.7-44.5173.4-86.1154.4000112.1A32 S33 A39 Y40A32-L36 PolarHBondContact O-N 2.9Å; S33-L36 PolarHBondContact O-N 3.44Å; L36-A39 PolarHBondContact O-N 3.5Å; L36-Y40 VanDerWaalsContact O-CB 3.32Å; L36-Y40 WeakPolarHBondContact O-CB 3.42Å; L36-Y40 PolarHBondContact O-N 2.83Å
37A91.1Very high89.2Confident43 Ų4373 Ų7336%0.35543%0.425SS..Hα-helixtrans-62.1-45.2176.700000111.2S33 A34 A39 Y40 Y41S33-A37 WeakPolarHBondContact O-CB 3.46Å; S33-A37 PolarHBondContact O-N 3.4Å; A34-A37 PolarHBondContact O-N 3.03Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 2.82Å; A37-Y40 PolarHBondContact O-N 2.93Å; A37-Y41 HydrophobicContact CB-CD2 4.45Å; A37-Y41 VanDerWaalsContact O-CD2 3.27Å; A37-Y41 WeakPolarHBondContact O-CD2 2.96Å; A37-Y41 PolarHBondContact O-N 2.99Å
38A88.6Confident89.2Confident47 Ų4775.6 Ų75.639%0.38843%0.429SS..Hα-helixtrans-58.7-43.5175.500000111.7A34 G35 S42A34-A38 WeakPolarHBondContact O-CB 3.25Å; A34-A38 PolarHBondContact O-N 2.94Å; G35-A38 PolarHBondContact O-N 2.88Å; A38-S42 WeakPolarHBondContact O-CB 3.4Å; A38-S42 PolarHBondContact O-N 3.28Å
39A90.1Very high89.3Confident8 Ų876.9 Ų76.97%0.06643%0.433CS..Hα-helixtrans-69.7-32.9176.900000113.8G35 L36 A37 K49 I53G35-A39 WeakPolarHBondContact O-CB 3.41Å; G35-A39 PolarHBondContact O-N 2.8Å; L36-A39 PolarHBondContact O-N 3.5Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 2.82Å; A39-K49 HydrophobicContact CB-CB 4.01Å; A39-K49 HydrophobicContact CB-CG 4.31Å; A39-K49 VanDerWaalsContact O-CD 3.24Å; A39-K49 WeakPolarHBondContact O-CD 3.42Å; A39-K49 WeakPolarHBondContact O-CE 3.35Å; A39-K49 PolarHBondContact O-NZ 2.88Å; A39-I53 HydrophobicContact CB-CD1 3.73Å; A39-I53 HydrophobicContact CB-CG1 3.72Å
40Y88.8Confident89.2Confident184 Ų18477 Ų7772%0.72243%0.43SS*.Hα-helixtrans-74.3-47.1-179.6-174.6-99.1000112.2L36 A37L36-Y40 VanDerWaalsContact O-CB 3.32Å; L36-Y40 WeakPolarHBondContact O-CB 3.42Å; L36-Y40 PolarHBondContact O-N 2.83Å; A37-Y40 PolarHBondContact O-N 2.93Å
41Y88Confident89Confident186 Ų18681.7 Ų81.773%0.72944%0.44SS*.Hα-helixtrans-81.8-18.2-179.6-70.7-72000113.6A37A37-Y41 HydrophobicContact CB-CD2 4.45Å; A37-Y41 VanDerWaalsContact O-CD2 3.27Å; A37-Y41 WeakPolarHBondContact O-CD2 2.96Å; A37-Y41 PolarHBondContact O-N 2.99Å
42S82.9Confident88.8Confident22 Ų2283 Ų8315%0.15444%0.443CS..  trans-68.6135.2172.9167.70000111.1A38 D44 K49A38-S42 WeakPolarHBondContact O-CB 3.4Å; A38-S42 PolarHBondContact O-N 3.28Å; S42-D44 WeakPolarHBondContact OG-CB 3.41Å; S42-D44 PolarHBondContact OG-N 3.37Å; S42-D44 PolarHBondContact OG-OD2 3.37Å; S42-K49 WeakPolarHBondContact O-CE 3.42Å; S42-K49 PolarHBondContact O-NZ 3.12Å
43S86.1Confident88.8Confident125 Ų12584.8 Ų84.887%0.87445%0.448SS*.  trans-87.910.3170.5-58.90000112.7
44D87.6Confident88.6Confident71 Ų7186 Ų8638%0.3845%0.453SS..SBendtrans-72.8167.2-175.8-60.2-37.9000112.5S42 W48 K49 Y52S42-D44 WeakPolarHBondContact OG-CB 3.41Å; S42-D44 PolarHBondContact OG-N 3.37Å; S42-D44 PolarHBondContact OG-OD2 3.37Å; D44-W48 HydrophobicContact CB-CB 3.62Å; D44-W48 HydrophobicContact CB-CG 4.18Å; D44-K49 VanDerWaalsContact O-CE 3.22Å; D44-K49 WeakPolarHBondContact O-CE 3.41Å; D44-Y52 PolarHBondContact OD2-OH 3.11Å
45S87.4Confident88.5Confident60 Ų6084.7 Ų84.742%0.4245%0.445SS..  trans-57.6156.5173.273.30000112.5L47 W48 K49S45-L47 PolarHBondContact O-N 2.81Å; S45-L47 VanDerWaalsContact O-N 3.09Å; S45-W48 PolarHBondContact O-N 2.93Å; S45-W48 VanDerWaalsContact OG-CD1 3.28Å; S45-K49 PolarHBondContact O-N 3Å
46V87.4Confident88.5Confident108 Ų10886.3 Ų86.366%0.65546%0.456SS*.Hα-helixtrans-53.2-34.2178.1179.50000112.5K49 L50V46-K49 PolarHBondContact O-N 2.8Å; V46-L50 HydrophobicContact CG1-CD1 4.15Å; V46-L50 HydrophobicContact CG1-CG 4.39Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 2.81Å
47L89.9Confident88.5Confident140 Ų14085.3 Ų85.373%0.73345%0.451SS*.Hα-helixtrans-60.5-45.9176.3-81.6157.2000112.6S45 L50 F51S45-L47 PolarHBondContact O-N 2.81Å; S45-L47 VanDerWaalsContact O-N 3.09Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-F51 PolarHBondContact O-N 2.89Å
48W87.7Confident88.3Confident139 Ų13987.1 Ų87.153%0.52745%0.451SS..Hα-helixtrans-67.4-38.6178.3-75.3117.8000111.8D44 S45 F51 Y52D44-W48 HydrophobicContact CB-CB 3.62Å; D44-W48 HydrophobicContact CB-CG 4.18Å; S45-W48 PolarHBondContact O-N 2.93Å; S45-W48 VanDerWaalsContact OG-CD1 3.28Å; W48-F51 HydrophobicContact CE3-CD1 4.38Å; W48-F51 HydrophobicContact CZ3-CD1 4.38Å; W48-F51 WeakPolarHBondContact O-CB 3.42Å; W48-F51 PolarHBondContact O-N 3.19Å; W48-Y52 HydrophobicContact CB-CE2 4.2Å; W48-Y52 WeakPolarHBondContact O-CD2 3.49Å; W48-Y52 WeakPolarHBondContact O-CE2 3.21Å; W48-Y52 VanDerWaalsContact O-CG 3.25Å; W48-Y52 PolarHBondContact O-N 2.81Å
49K89.1Confident88.4Confident60 Ų6088 Ų8826%0.26145%0.451SS..Hα-helixtrans-61.9-44.7174.5-65.8-174.7176.9-155.80112.3A39 S42 D44 S45 V46 F51 Y52 I53A39-K49 HydrophobicContact CB-CB 4.01Å; A39-K49 HydrophobicContact CB-CG 4.31Å; A39-K49 VanDerWaalsContact O-CD 3.24Å; A39-K49 WeakPolarHBondContact O-CD 3.42Å; A39-K49 WeakPolarHBondContact O-CE 3.35Å; A39-K49 PolarHBondContact O-NZ 2.88Å; S42-K49 WeakPolarHBondContact O-CE 3.42Å; S42-K49 PolarHBondContact O-NZ 3.12Å; D44-K49 VanDerWaalsContact O-CE 3.22Å; D44-K49 WeakPolarHBondContact O-CE 3.41Å; S45-K49 PolarHBondContact O-N 3Å; V46-K49 PolarHBondContact O-N 2.8Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.79Å; K49-Y52 PolarHBondContact O-N 3.46Å; K49-I53 WeakPolarHBondContact O-CG1 3.45Å; K49-I53 PolarHBondContact O-N 3.38Å; K49-I53 VanDerWaalsContact O-N 3.1Å
50L88.6Confident88.3Confident95 Ų9587.6 Ų87.650%0.49745%0.448SS..Hα-helixtrans-61.8-41.8174.2-73.8172.1000111.1V46 L47 Y52 I53 T54V46-L50 HydrophobicContact CG1-CD1 4.15Å; V46-L50 HydrophobicContact CG1-CG 4.39Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 2.81Å; L47-L50 PolarHBondContact O-N 3.33Å; L50-Y52 PolarHBondContact O-N 3.23Å; L50-I53 PolarHBondContact O-N 2.93Å; L50-T54 WeakPolarHBondContact O-CB 3.27Å; L50-T54 PolarHBondContact O-N 2.85Å; L50-T54 PolarHBondContact O-OG1 3.11Å
51F89.4Confident88.1Confident134 Ų13479.5 Ų79.559%0.58842%0.417SS*.Hα-helixtrans-59.5-44.7176.8-175.8-100.4000112.5L47 W48 K49 G55L47-F51 PolarHBondContact O-N 2.89Å; W48-F51 HydrophobicContact CE3-CD1 4.38Å; W48-F51 HydrophobicContact CZ3-CD1 4.38Å; W48-F51 WeakPolarHBondContact O-CB 3.42Å; W48-F51 PolarHBondContact O-N 3.19Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.79Å; F51-G55 PolarHBondContact O-N 2.84Å
52Y87.8Confident87.9Confident72 Ų7276.2 Ų76.228%0.28241%0.409SS..Hα-helixtrans-62.5-45.6176.4-56.1-40.3000112.1D44 W48 K49 L50 C56D44-Y52 PolarHBondContact OD2-OH 3.11Å; W48-Y52 HydrophobicContact CB-CE2 4.2Å; W48-Y52 WeakPolarHBondContact O-CD2 3.49Å; W48-Y52 WeakPolarHBondContact O-CE2 3.21Å; W48-Y52 VanDerWaalsContact O-CG 3.25Å; W48-Y52 PolarHBondContact O-N 2.81Å; K49-Y52 PolarHBondContact O-N 3.46Å; L50-Y52 PolarHBondContact O-N 3.23Å; Y52-C56 VanDerWaalsContact O-CB 3.3Å; Y52-C56 WeakPolarHBondContact O-CB 3.35Å; Y52-C56 PolarHBondContact O-N 2.93Å; Y52-C56 PolarHBondContact O-SG 3.27Å; Y52-C56 VanDerWaalsContact O-SG 3.34Å
53I89.9Confident87.9Confident63 Ų6379.1 Ų79.132%0.32342%0.422SS..Hα-helixtrans-64.9-49.6-179.8-66.7166.6000110.6A39 K49 L50 L57A39-I53 HydrophobicContact CB-CD1 3.73Å; A39-I53 HydrophobicContact CB-CG1 3.72Å; K49-I53 WeakPolarHBondContact O-CG1 3.45Å; K49-I53 PolarHBondContact O-N 3.38Å; K49-I53 VanDerWaalsContact O-N 3.1Å; L50-I53 PolarHBondContact O-N 2.93Å; I53-L57 VanDerWaalsContact O-CB 3.24Å; I53-L57 WeakPolarHBondContact O-CB 3.32Å; I53-L57 PolarHBondContact O-N 3.08Å
54T89Confident87.7Confident88 Ų8873.9 Ų73.954%0.5438%0.384SS..Hα-helixtrans-66.5-40.8-179-56.60000111.4L50 L57 F58L50-T54 WeakPolarHBondContact O-CB 3.27Å; L50-T54 PolarHBondContact O-N 2.85Å; L50-T54 PolarHBondContact O-OG1 3.11Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-F58 WeakPolarHBondContact O-CB 3.27Å; T54-F58 PolarHBondContact O-N 3.09Å
55G89.3Confident87.3Confident31 Ų3173.7 Ų73.732%0.3238%0.383SS..Hα-helixtrans-62.8-48.6176.400000112.3F51 L57 F58 V59F51-G55 PolarHBondContact O-N 2.84Å; G55-L57 PolarHBondContact O-N 2.59Å; G55-F58 PolarHBondContact O-N 2.99Å; G55-V59 WeakPolarHBondContact O-CG2 2.88Å; G55-V59 PolarHBondContact O-N 3.43Å
56C90.5Very high87Confident35 Ų3573.4 Ų73.424%0.23638%0.377CS..Hα-helixtrans-63-41.2175.8-73.60000112I31 G35 Y52 F58 V59 A60I31-C56 HydrophobicContact CG2-CB 4.15Å; I31-C56 VanDerWaalsContact CG2-O 3.23Å; I31-C56 WeakPolarHBondContact CG2-O 3.34Å; G35-C56 WeakPolarHBondContact CA-SG 3.43Å; Y52-C56 VanDerWaalsContact O-CB 3.3Å; Y52-C56 WeakPolarHBondContact O-CB 3.35Å; Y52-C56 PolarHBondContact O-N 2.93Å; Y52-C56 PolarHBondContact O-SG 3.27Å; Y52-C56 VanDerWaalsContact O-SG 3.34Å; C56-F58 VanDerWaalsContact C-N 3.32Å; C56-F58 PolarHBondContact O-N 2.79Å; C56-V59 PolarHBondContact O-N 2.96Å; C56-A60 VanDerWaalsContact O-CB 3.26Å; C56-A60 WeakPolarHBondContact O-CB 3.47Å; C56-A60 PolarHBondContact O-N 2.98Å
57L88.8Confident86.8Confident81 Ų8170.5 Ų70.542%0.42436%0.355SS..Hα-helixtrans-63.1-39176.2-175.363000111.8I53 T54 G55 A60 L61I53-L57 VanDerWaalsContact O-CB 3.24Å; I53-L57 WeakPolarHBondContact O-CB 3.32Å; I53-L57 PolarHBondContact O-N 3.08Å; T54-L57 PolarHBondContact O-N 3.4Å; G55-L57 PolarHBondContact O-N 2.59Å; L57-A60 WeakPolarHBondContact O-CB 3.47Å; L57-A60 PolarHBondContact O-N 2.9Å; L57-L61 HydrophobicContact CD1-CD1 4.49Å; L57-L61 HydrophobicContact CD1-CG 4.47Å; L57-L61 HydrophobicContact CG-CD1 4.1Å; L57-L61 WeakPolarHBondContact O-CB 3.47Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 3.4Å
58F88.5Confident86.5Confident80 Ų8064 Ų6435%0.35132%0.32SS..Hα-helixtrans-64.6-46.1177.5-172.8-99.3000112.1T54 G55 C56 A60 L61 Q62 Y87 L91T54-F58 WeakPolarHBondContact O-CB 3.27Å; T54-F58 PolarHBondContact O-N 3.09Å; G55-F58 PolarHBondContact O-N 2.99Å; C56-F58 VanDerWaalsContact C-N 3.32Å; C56-F58 PolarHBondContact O-N 2.79Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 2.74Å; F58-L61 PolarHBondContact O-N 2.8Å; F58-Q62 WeakPolarHBondContact O-CB 3.5Å; F58-Q62 PolarHBondContact O-N 3.2Å; F58-Y87 HydrophobicContact CD2-CE2 4.2Å; F58-Y87 HydrophobicContact CE1-CE2 4.13Å; F58-Y87 HydrophobicContact CE2-CD2 4.35Å; F58-Y87 AromaticContact CE2-CE2 3.45Å; F58-Y87 HydrophobicContact CE2-CE2 3.45Å; F58-Y87 VanDerWaalsContact CE2-CE2 3.45Å; F58-Y87 AromaticContact CZ-CE2 3.43Å; F58-Y87 HydrophobicContact CZ-CE2 3.43Å; F58-Y87 VanDerWaalsContact CZ-CE2 3.43Å; F58-Y87 AromaticContact CZ-CZ 3.85Å; F58-Y87 WeakPolarHBondContact CZ-OH 3.44Å; F58-L91 HydrophobicContact CE2-CD2 3.8Å; F58-L91 HydrophobicContact CE2-CG 4.31Å
59V89.4Confident86.3Confident66 Ų6659.1 Ų59.140%0.430%0.303SS..Hα-helixtrans-63.5-40.31761760000111.1I31 G55 C56 Q62 N63I31-V59 HydrophobicContact CD1-CG1 4.34Å; I31-V59 HydrophobicContact CG2-CB 4.4Å; I31-V59 HydrophobicContact CG2-CG1 4.42Å; G55-V59 WeakPolarHBondContact O-CG2 2.88Å; G55-V59 PolarHBondContact O-N 3.43Å; C56-V59 PolarHBondContact O-N 2.96Å; V59-Q62 PolarHBondContact O-N 3.48Å; V59-N63 PolarHBondContact O-N 3.26Å; V59-N63 PolarHBondContact O-ND2 3.5Å
60A88.1Confident86Confident0 Ų056.3 Ų56.30%029%0.291CS..Hα-helixtrans-59.8-46.8175.200000111.7L28 I31 C56 L57 F58 N63 M64L28-A60 HydrophobicContact CD1-CB 4.32Å; L28-A60 HydrophobicContact CG-CB 4.28Å; I31-A60 HydrophobicContact CB-CB 4.03Å; I31-A60 HydrophobicContact CG2-CB 4.06Å; C56-A60 VanDerWaalsContact O-CB 3.26Å; C56-A60 WeakPolarHBondContact O-CB 3.47Å; C56-A60 PolarHBondContact O-N 2.98Å; L57-A60 WeakPolarHBondContact O-CB 3.47Å; L57-A60 PolarHBondContact O-N 2.9Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 2.74Å; A60-N63 PolarHBondContact O-N 2.96Å; A60-M64 PolarHBondContact O-N 3.44Å
61L85.4Confident85.8Confident14 Ų1453 Ų537%0.07328%0.275CS..Hα-helixtrans-66.5-36.9178.9-73.4168.9000112.6L28 L57 F58 N63 M64 L86 Y87 V90L28-L61 HydrophobicContact CD1-CD2 4.15Å; L57-L61 HydrophobicContact CD1-CD1 4.49Å; L57-L61 HydrophobicContact CD1-CG 4.47Å; L57-L61 HydrophobicContact CG-CD1 4.1Å; L57-L61 WeakPolarHBondContact O-CB 3.47Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 3.4Å; F58-L61 PolarHBondContact O-N 2.8Å; L61-N63 PolarHBondContact O-N 2.78Å; L61-M64 VanDerWaalsContact O-CB 3.31Å; L61-M64 WeakPolarHBondContact O-CB 3.43Å; L61-M64 PolarHBondContact O-N 2.88Å; L61-M64 VanDerWaalsContact O-N 3.14Å; L61-L86 HydrophobicContact CD2-CD2 4.02Å; L61-Y87 HydrophobicContact CB-CD2 4.5Å; L61-V90 HydrophobicContact CD1-CB 4.15Å; L61-V90 HydrophobicContact CD1-CG1 3.95Å; L61-V90 HydrophobicContact CD1-CG2 3.91Å
62Q82.9Confident85.5Confident117 Ų11746.6 Ų46.655%0.54725%0.247SC..Hα-helixtrans-66.5-27.5177.5-170.6176.811.400112.9F58 V59 M64 Y87F58-Q62 WeakPolarHBondContact O-CB 3.5Å; F58-Q62 PolarHBondContact O-N 3.2Å; V59-Q62 PolarHBondContact O-N 3.48Å; Q62-M64 VanDerWaalsContact C-N 3.33Å; Q62-Y87 HydrophobicContact CB-CD2 4.27Å; Q62-Y87 HydrophobicContact CB-CE2 4.3Å
63N83.4Confident85.3Confident82 Ų8244.2 Ų44.244%0.43924%0.239SC..THydrogen-bonded Turntrans-91.43175.9-76-91.1000112.8S24 V59 A60 L61S24-N63 PolarHBondContact OG-O 2.97Å; V59-N63 PolarHBondContact O-N 3.26Å; V59-N63 PolarHBondContact O-ND2 3.5Å; A60-N63 PolarHBondContact O-N 2.96Å; L61-N63 PolarHBondContact O-N 2.78Å
64M80.8Confident84.9Confident15 Ų1544.9 Ų44.97%0.07424%0.239CC..SBendtrans-77.1132.9177.4-158.175.1-15200109.7P20 S24 W25 L28 A60 L61 Q62 W67P20-M64 HydrophobicContact CB-CE 3.36Å; P20-M64 HydrophobicContact CG-CE 3.73Å; S24-M64 VanDerWaalsContact OG-CA 3.28Å; S24-M64 WeakPolarHBondContact OG-CA 3.43Å; S24-M64 VanDerWaalsContact OG-CE 3.31Å; S24-M64 WeakPolarHBondContact OG-CE 3.46Å; S24-M64 PolarHBondContact OG-SD 3.1Å; S24-M64 VanDerWaalsContact OG-SD 3.36Å; W25-M64 HydrophobicContact CD2-CE 3.69Å; W25-M64 HydrophobicContact CE3-CE 4.12Å; W25-M64 HydrophobicContact CG-CE 3.87Å; W25-M64 HydrophobicContact CZ2-CE 4.39Å; L28-M64 HydrophobicContact CB-SD 3.87Å; L28-M64 HydrophobicContact CD1-SD 3.75Å; L28-M64 HydrophobicContact CG-SD 4.36Å; A60-M64 PolarHBondContact O-N 3.44Å; L61-M64 VanDerWaalsContact O-CB 3.31Å; L61-M64 WeakPolarHBondContact O-CB 3.43Å; L61-M64 PolarHBondContact O-N 2.88Å; L61-M64 VanDerWaalsContact O-N 3.14Å; Q62-M64 VanDerWaalsContact C-N 3.33Å; M64-W67 HydrophobicContact CE-CH2 4.28Å; M64-W67 HydrophobicContact CG-CH2 4.29Å; M64-W67 HydrophobicContact CG-CZ3 4.07Å
65D79.5Confident84.5Confident67 Ų6745.5 Ų45.536%0.35824%0.243SC..PPolyproline II helixtrans-67.3144.7174.7-61.5-34000109.4P20 S24P20-D65 HydrophobicContact CB-CB 4.13Å; S24-D65 WeakPolarHBondContact CB-OD2 3.34Å; S24-D65 PolarHBondContact OG-N 2.82Å
66D82.1Confident84Confident55 Ų5551.3 Ų51.329%0.29426%0.256SS..PPolyproline II helixtrans-71.7149.6175.1-62.9-43.4000111.4T83 S85D66-T83 HydrophobicContact CB-CG2 3.97Å; D66-S85 WeakPolarHBondContact OD1-CA 3.43Å; D66-S85 WeakPolarHBondContact OD1-CB 3.14Å; D66-S85 PolarHBondContact OD1-OG 2.92Å
67W83.1Confident83.6Confident47 Ų4755.4 Ų55.418%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-84.4126.9170.3-79.2-108.4000108.6P20 W25 M64 T83 I84 L86P20-W67 HydrophobicContact CB-CH2 4.45Å; P20-W67 VanDerWaalsContact CD-CD2 3.49Å; P20-W67 VanDerWaalsContact CD-NE1 3.28Å; P20-W67 HydrophobicContact CG-CD2 3.65Å; P20-W67 HydrophobicContact CG-CE3 3.75Å; P20-W67 HydrophobicContact CG-CG 4.48Å; P20-W67 HydrophobicContact CG-CH2 3.21Å; P20-W67 HydrophobicContact CG-CZ2 3.16Å; P20-W67 HydrophobicContact CG-CZ3 3.51Å; W25-W67 HydrophobicContact CH2-CH2 4.44Å; W25-W67 HydrophobicContact CH2-CZ2 4.29Å; W25-W67 HydrophobicContact CZ2-CH2 4.15Å; W25-W67 AromaticContact CZ2-CZ2 3.76Å; W25-W67 HydrophobicContact CZ2-CZ2 3.76Å; M64-W67 HydrophobicContact CE-CH2 4.28Å; M64-W67 HydrophobicContact CG-CH2 4.29Å; M64-W67 HydrophobicContact CG-CZ3 4.07Å; W67-T83 CarbonylContact O-C 3.55Å; W67-T83 WeakPolarHBondContact O-CA 3.45Å; W67-I84 HydrophobicContact CB-CB 4.1Å; W67-I84 PolarHBondContact N-O 3.45Å; W67-I84 PolarHBondContact O-N 2.97Å; W67-L86 HydrophobicContact CE3-CB 4.46Å; W67-L86 HydrophobicContact CE3-CD1 3.95Å; W67-L86 HydrophobicContact CH2-CD1 3.09Å; W67-L86 HydrophobicContact CH2-CG 4.4Å; W67-L86 HydrophobicContact CZ2-CD1 3.87Å; W67-L86 HydrophobicContact CZ3-CB 3.85Å; W67-L86 HydrophobicContact CZ3-CD1 3.14Å; W67-L86 HydrophobicContact CZ3-CG 4.09Å
68E82.9Confident83.4Confident4 Ų453 Ų532%0.01926%0.258CS..EExtended strand (participates in β ladder)trans-117.1127.4178.5-58.8172.615200109M4 R18 K82 T83 T140 Q141 S142M4-E68 HydrophobicContact CE-CB 4.2Å; R18-E68 HydrophobicContact CB-CB 4.15Å; R18-E68 WeakPolarHBondContact CD-OE2 3.34Å; R18-E68 IonicContact CZ-OE2 2.84Å; R18-E68 PolarHBondContact N-O 2.89Å; R18-E68 IonicContact NE-OE2 2.98Å; R18-E68 IonicContact NH1-OE1 2.86Å; R18-E68 IonicContact NH1-OE2 3.81Å; R18-E68 PolarHBondContact NH1-OE2 2.91Å; R18-E68 PolarHBondContact O-N 3.37Å; E68-K82 CarbonylContact C-O 3.59Å; E68-K82 WeakPolarHBondContact CA-O 3.43Å; E68-T83 HydrophobicContact CG-CG2 4.4Å; E68-T140 WeakPolarHBondContact OE2-CB 3.3Å; E68-T140 WeakPolarHBondContact OE2-CG2 3.26Å; E68-Q141 PolarHBondContact OE1-N 2.97Å; E68-S142 PolarHBondContact OE1-N 3.2Å; E68-S142 PolarHBondContact OE1-OG 3.47Å
69E83.4Confident83.1Confident36 Ų3649.2 Ų49.217%0.16824%0.241CC..EExtended strand (participates in β ladder)trans-124.2128.8176.3-70.1179.9172.900109L16 K17 K82L16-E69 CarbonylContact O-C 3.58Å; L16-E69 WeakPolarHBondContact O-CA 3.36Å; K17-E69 HydrophobicContact CD-CG 4.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.42Å; K17-E69 HydrophobicContact CG-CG 4.06Å; K17-E69 IonicContact NZ-OE1 3.88Å; K17-E69 PolarHBondContact NZ-OE1 3.16Å; E69-K82 HydrophobicContact CB-CB 4.19Å; E69-K82 PolarHBondContact N-O 2.87Å; E69-K82 PolarHBondContact O-N 2.76Å
70A83.7Confident82.9Confident0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-124.2116.4176.900000109.9M4 L16 F72 E80 L81 L139M4-A70 HydrophobicContact CE-CB 3.99Å; M4-A70 HydrophobicContact SD-CB 4.41Å; L16-A70 HydrophobicContact CB-CB 4.24Å; L16-A70 PolarHBondContact N-O 3.35Å; L16-A70 PolarHBondContact O-N 3.26Å; A70-F72 HydrophobicContact CB-CE2 4Å; A70-E80 CarbonylContact C-O 3.34Å; A70-E80 WeakPolarHBondContact CA-O 3.4Å; A70-L81 HydrophobicContact CB-CD2 3.48Å; A70-L81 VanDerWaalsContact CB-CD2 3.48Å; A70-L139 HydrophobicContact CB-CD1 4.05Å
71V84.1Confident82.6Confident25 Ų2547.6 Ų47.615%0.15223%0.23CC..EExtended strand (participates in β ladder)trans-112.7118.8-178.6-1760000109H15 V79 E80H15-V71 VanDerWaalsContact CD2-CG2 3.42Å; H15-V71 WeakPolarHBondContact CD2-CG2 3.29Å; V71-V79 CarbonylContact O-C 3.57Å; V71-V79 WeakPolarHBondContact O-CA 3.47Å; V71-E80 HydrophobicContact CB-CB 4.32Å; V71-E80 PolarHBondContact N-O 2.7Å; V71-E80 PolarHBondContact O-N 2.79Å
72F83.1Confident82.5Confident0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-105.3115.5173.6-60.9-101.6000108.8L13 L14 L16 A70 V79 L105 L129 L139 L158 F161L13-F72 WeakPolarHBondContact CA-O 2.95Å; L14-F72 HydrophobicContact CB-CB 4.21Å; L14-F72 HydrophobicContact CD2-CD2 4.29Å; L14-F72 PolarHBondContact N-O 3.33Å; L14-F72 PolarHBondContact O-N 2.84Å; L16-F72 HydrophobicContact CD1-CE2 4.12Å; A70-F72 HydrophobicContact CB-CE2 4Å; F72-V79 HydrophobicContact CD1-CB 4.26Å; F72-V79 HydrophobicContact CD1-CG1 3.77Å; F72-V79 HydrophobicContact CD1-CG2 3.57Å; F72-V79 HydrophobicContact CE1-CB 4.37Å; F72-V79 HydrophobicContact CE1-CG1 3.55Å; F72-V79 HydrophobicContact CE1-CG2 3.84Å; F72-V79 HydrophobicContact CE2-CG1 4.5Å; F72-V79 HydrophobicContact CG-CG1 4.33Å; F72-V79 HydrophobicContact CG-CG2 4.5Å; F72-V79 HydrophobicContact CZ-CG1 3.94Å; F72-L105 HydrophobicContact CD1-CD1 4.27Å; F72-L129 HydrophobicContact CE1-CD2 4.4Å; F72-L139 HydrophobicContact CE2-CD1 4.21Å; F72-L139 HydrophobicContact CZ-CD1 3.71Å; F72-L158 HydrophobicContact CD1-CD2 4.3Å; F72-L158 HydrophobicContact CD2-CD2 3.89Å; F72-L158 HydrophobicContact CE1-CD2 3.93Å; F72-L158 HydrophobicContact CE2-CD2 3.49Å; F72-L158 VanDerWaalsContact CE2-CD2 3.49Å; F72-L158 HydrophobicContact CG-CD2 4.3Å; F72-L158 HydrophobicContact CZ-CD1 4.42Å; F72-L158 HydrophobicContact CZ-CD2 3.51Å; F72-F161 HydrophobicContact CB-CD1 4.49Å; F72-F161 HydrophobicContact CB-CE1 3.94Å
73D83.7Confident82.5Confident22 Ų2245.3 Ų45.312%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-115.8112.3179.3-172.2-21.1000110.5T75 R76 K77 V78D73-T75 WeakPolarHBondContact OD1-CA 3.18Å; D73-T75 WeakPolarHBondContact OD1-CB 3.36Å; D73-T75 PolarHBondContact OD1-N 3.41Å; D73-T75 PolarHBondContact OD1-OG1 2.89Å; D73-R76 HydrophobicContact CB-CB 4.33Å; D73-R76 PolarHBondContact OD1-N 3.24Å; D73-R76 VanDerWaalsContact OD1-N 3.09Å; D73-R76 WeakPolarHBondContact OD2-CD 3.2Å; D73-R76 VanDerWaalsContact OD2-CG 3.28Å; D73-R76 WeakPolarHBondContact OD2-CG 2.99Å; D73-K77 VanDerWaalsContact O-CA 3.3Å; D73-K77 WeakPolarHBondContact O-CA 3.32Å; D73-K77 PolarHBondContact O-N 3.44Å; D73-V78 PolarHBondContact N-O 3.46Å; D73-V78 PolarHBondContact O-N 3.47Å
74K81.3Confident82.2Confident77 Ų7743.3 Ų43.334%0.33521%0.208SC..THydrogen-bonded Turntrans-75.9-28176.8-67.9-175.5-175.2164.90113.3P11 T12 K77 L105 F161P11-K74 WeakPolarHBondContact O-CD 3.3Å; P11-K74 PolarHBondContact O-NZ 2.97Å; T12-K74 PolarHBondContact O-N 2.96Å; K74-K77 PolarHBondContact O-N 2.9Å; K74-L105 HydrophobicContact CG-CD2 4.13Å; K74-F161 HydrophobicContact CD-CE1 4.37Å; K74-F161 HydrophobicContact CD-CE2 4.48Å; K74-F161 HydrophobicContact CD-CZ 4.05Å; K74-F161 WeakPolarHBondContact CE-O 3.41Å; K74-F161 HydrophobicContact CG-CE1 4.11Å; K74-F161 HydrophobicContact CG-CZ 4.03Å; K74-F161 PolarHBondContact NZ-O 3.43Å
75T80.4Confident82.2Confident102 Ų10243.4 Ų43.463%0.62621%0.21SC*.THydrogen-bonded Turntrans-69.9-40.9179.761.20000110.7T12 D73T12-T75 HydrophobicContact CG2-CG2 3.97Å; D73-T75 WeakPolarHBondContact OD1-CA 3.18Å; D73-T75 WeakPolarHBondContact OD1-CB 3.36Å; D73-T75 PolarHBondContact OD1-N 3.41Å; D73-T75 PolarHBondContact OD1-OG1 2.89Å
76R80.1Confident82Confident153 Ų15342.8 Ų42.858%0.57721%0.206SC*.THydrogen-bonded Turntrans-87.8-12.7177.4-60.217875.3-150.2-1.6112.8D73 V78 E80D73-R76 HydrophobicContact CB-CB 4.33Å; D73-R76 PolarHBondContact OD1-N 3.24Å; D73-R76 VanDerWaalsContact OD1-N 3.09Å; D73-R76 WeakPolarHBondContact OD2-CD 3.2Å; D73-R76 VanDerWaalsContact OD2-CG 3.28Å; D73-R76 WeakPolarHBondContact OD2-CG 2.99Å; R76-V78 VanDerWaalsContact C-N 3.3Å; R76-V78 HydrophobicContact CB-CB 4.46Å; R76-V78 HydrophobicContact CB-CG2 4.49Å; R76-V78 WeakPolarHBondContact O-CG2 3.44Å; R76-E80 IonicContact NH1-OE1 3.9Å; R76-E80 PolarHBondContact NH1-OE1 3.08Å
77K81.1Confident81.8Confident121 Ų12143.2 Ų43.253%0.52621%0.205SC..THydrogen-bonded Turntrans56.542.1-173.8-57.1-176.5178.7-177.20112.3D73 K74 L105 T106D73-K77 VanDerWaalsContact O-CA 3.3Å; D73-K77 WeakPolarHBondContact O-CA 3.32Å; D73-K77 PolarHBondContact O-N 3.44Å; K74-K77 PolarHBondContact O-N 2.9Å; K77-L105 HydrophobicContact CB-CB 4.24Å; K77-L105 VanDerWaalsContact O-CB 3.27Å; K77-L105 WeakPolarHBondContact O-CB 3.31Å; K77-L105 PolarHBondContact O-N 3.45Å; K77-T106 HydrophobicContact CB-CG2 4.33Å; K77-T106 HydrophobicContact CD-CG2 3.73Å
78V84.5Confident81.5Confident29 Ų2943.6 Ų43.618%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-131.9140.6-175171.10000110.2D73 R76 E80 V102 L103D73-V78 PolarHBondContact N-O 3.46Å; D73-V78 PolarHBondContact O-N 3.47Å; R76-V78 VanDerWaalsContact C-N 3.3Å; R76-V78 HydrophobicContact CB-CB 4.46Å; R76-V78 HydrophobicContact CB-CG2 4.49Å; R76-V78 WeakPolarHBondContact O-CG2 3.44Å; V78-E80 HydrophobicContact CG1-CG 3.87Å; V78-V102 HydrophobicContact CG1-CG1 3.28Å; V78-L103 WeakPolarHBondContact CA-O 3.03Å
79V82.9Confident81.3Confident2 Ų244 Ų441%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-105.2122166.6-174.70000108.2V71 F72 L81 V102 L103 L105 L129V71-V79 CarbonylContact O-C 3.57Å; V71-V79 WeakPolarHBondContact O-CA 3.47Å; F72-V79 HydrophobicContact CD1-CB 4.26Å; F72-V79 HydrophobicContact CD1-CG1 3.77Å; F72-V79 HydrophobicContact CD1-CG2 3.57Å; F72-V79 HydrophobicContact CE1-CB 4.37Å; F72-V79 HydrophobicContact CE1-CG1 3.55Å; F72-V79 HydrophobicContact CE1-CG2 3.84Å; F72-V79 HydrophobicContact CE2-CG1 4.5Å; F72-V79 HydrophobicContact CG-CG1 4.33Å; F72-V79 HydrophobicContact CG-CG2 4.5Å; F72-V79 HydrophobicContact CZ-CG1 3.94Å; V79-L81 HydrophobicContact CG1-CD2 4.05Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; V79-V102 CarbonylContact O-C 3.59Å; V79-V102 WeakPolarHBondContact O-CA 3.49Å; V79-L103 HydrophobicContact CB-CB 4.22Å; V79-L103 PolarHBondContact N-O 3.38Å; V79-L103 PolarHBondContact O-N 2.84Å; V79-L105 HydrophobicContact CG2-CD1 3.22Å; V79-L105 HydrophobicContact CG2-CG 4.5Å; V79-L129 HydrophobicContact CG1-CD1 4.49Å
80E84.1Confident81.1Confident16 Ų1645.3 Ų45.38%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-108116.6173.6-54.4-170.6-178.200109.6A70 V71 R76 V78 K82 R100 L101 V102A70-E80 CarbonylContact C-O 3.34Å; A70-E80 WeakPolarHBondContact CA-O 3.4Å; V71-E80 HydrophobicContact CB-CB 4.32Å; V71-E80 PolarHBondContact N-O 2.7Å; V71-E80 PolarHBondContact O-N 2.79Å; R76-E80 IonicContact NH1-OE1 3.9Å; R76-E80 PolarHBondContact NH1-OE1 3.08Å; V78-E80 HydrophobicContact CG1-CG 3.87Å; E80-K82 WeakPolarHBondContact OE2-CE 3.3Å; E80-K82 IonicContact OE2-NZ 2.97Å; E80-R100 IonicContact OE1-CZ 3.73Å; E80-R100 IonicContact OE1-NH2 2.72Å; E80-R100 PolarHBondContact OE1-NH2 3.23Å; E80-R100 IonicContact OE2-CZ 3.26Å; E80-R100 VanDerWaalsContact OE2-CZ 3.26Å; E80-R100 IonicContact OE2-NE 3.37Å; E80-R100 PolarHBondContact OE2-NE 2.98Å; E80-R100 IonicContact OE2-NH2 2.84Å; E80-R100 PolarHBondContact OE2-NH2 3.22Å; E80-L101 CarbonylContact C-O 3.58Å; E80-L101 WeakPolarHBondContact CA-O 3.28Å; E80-V102 HydrophobicContact CG-CG2 4.49Å
81L82.7Confident80.8Confident15 Ų1549.7 Ų49.78%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-103.3122.1171.3-54.7174.9000107.6A70 V79 R100 L101 L103 L129 L139A70-L81 HydrophobicContact CB-CD2 3.48Å; A70-L81 VanDerWaalsContact CB-CD2 3.48Å; V79-L81 HydrophobicContact CG1-CD2 4.05Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; L81-R100 CarbonylContact O-C 3.46Å; L81-R100 WeakPolarHBondContact O-CA 3.43Å; L81-L101 HydrophobicContact CB-CB 4.31Å; L81-L101 HydrophobicContact CD1-CD2 4.29Å; L81-L101 PolarHBondContact N-O 2.66Å; L81-L101 PolarHBondContact O-N 2.86Å; L81-L103 HydrophobicContact CD1-CD1 3.92Å; L81-L129 HydrophobicContact CD1-CD1 4.27Å; L81-L139 HydrophobicContact CD2-CD1 3.69Å
82K83.8Confident80.5Confident65 Ų6550.5 Ų50.528%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-119.9123.8179.9-69.6177-171.8168.10109.3E68 E69 E80 E99 R100E68-K82 CarbonylContact C-O 3.59Å; E68-K82 WeakPolarHBondContact CA-O 3.43Å; E69-K82 HydrophobicContact CB-CB 4.19Å; E69-K82 PolarHBondContact N-O 2.87Å; E69-K82 PolarHBondContact O-N 2.76Å; E80-K82 WeakPolarHBondContact OE2-CE 3.3Å; E80-K82 IonicContact OE2-NZ 2.97Å; K82-E99 CarbonylContact C-O 3.59Å; K82-E99 VanDerWaalsContact CA-O 3.27Å; K82-E99 WeakPolarHBondContact CA-O 3.36Å; K82-R100 HydrophobicContact CG-CB 4.29Å; K82-R100 HydrophobicContact CG-CG 3.99Å
83T81.1Confident80Confident18 Ų1858 Ų5811%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-112128.3170.5-52.40000108.5D66 W67 E68 E99D66-T83 HydrophobicContact CB-CG2 3.97Å; W67-T83 CarbonylContact O-C 3.55Å; W67-T83 WeakPolarHBondContact O-CA 3.45Å; E68-T83 HydrophobicContact CG-CG2 4.4Å; T83-E99 PolarHBondContact N-O 3.35Å; T83-E99 PolarHBondContact O-N 2.78Å
84I78.3Confident79.2Confident40 Ų4065.8 Ų65.821%0.20532%0.317CS..EExtended strand (participates in β ladder)trans-118.3108.8179-47.7-178.8000108.9W67 G97 H98W67-I84 HydrophobicContact CB-CB 4.1Å; W67-I84 PolarHBondContact N-O 3.45Å; W67-I84 PolarHBondContact O-N 2.97Å; I84-G97 VanDerWaalsContact CA-O 3.3Å; I84-G97 WeakPolarHBondContact CA-O 3.13Å; I84-H98 WeakPolarHBondContact CG1-ND1 3.4Å
85S79.5Confident78.4Confident18 Ų1872.9 Ų72.913%0.12634%0.342CS..  trans-99.2114.8176.8-177.40000110.4D66 Y87 T88 L89 G97D66-S85 WeakPolarHBondContact OD1-CA 3.43Å; D66-S85 WeakPolarHBondContact OD1-CB 3.14Å; D66-S85 PolarHBondContact OD1-OG 2.92Å; S85-Y87 VanDerWaalsContact C-N 3.3Å; S85-Y87 PolarHBondContact O-N 3.32Å; S85-T88 WeakPolarHBondContact CB-OG1 3.36Å; S85-T88 PolarHBondContact O-N 3.18Å; S85-T88 PolarHBondContact OG-OG1 3.33Å; S85-L89 WeakPolarHBondContact O-CB 3.32Å; S85-L89 PolarHBondContact O-N 2.84Å; S85-G97 PolarHBondContact N-O 3.25Å
86L75.9Confident77.6Confident53 Ų5377.4 Ų77.428%0.27735%0.348SS..Hα-helixtrans-68.5-33.3-177-132.1147.5000111.6L61 W67 L89 V90L61-L86 HydrophobicContact CD2-CD2 4.02Å; W67-L86 HydrophobicContact CE3-CB 4.46Å; W67-L86 HydrophobicContact CE3-CD1 3.95Å; W67-L86 HydrophobicContact CH2-CD1 3.09Å; W67-L86 HydrophobicContact CH2-CG 4.4Å; W67-L86 HydrophobicContact CZ2-CD1 3.87Å; W67-L86 HydrophobicContact CZ3-CB 3.85Å; W67-L86 HydrophobicContact CZ3-CD1 3.14Å; W67-L86 HydrophobicContact CZ3-CG 4.09Å; L86-L89 WeakPolarHBondContact O-CB 3.43Å; L86-L89 PolarHBondContact O-N 3.37Å; L86-V90 HydrophobicContact CD2-CG2 4.36Å; L86-V90 VanDerWaalsContact O-CG2 3.3Å; L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.36Å
87Y77.8Confident76.6Confident65 Ų6570.5 Ų70.526%0.25532%0.324SS..Hα-helixtrans-58-51.1169.8171.5-104.4000111.8F58 L61 Q62 S85 L89 V90 L91F58-Y87 HydrophobicContact CD2-CE2 4.2Å; F58-Y87 HydrophobicContact CE1-CE2 4.13Å; F58-Y87 HydrophobicContact CE2-CD2 4.35Å; F58-Y87 AromaticContact CE2-CE2 3.45Å; F58-Y87 HydrophobicContact CE2-CE2 3.45Å; F58-Y87 VanDerWaalsContact CE2-CE2 3.45Å; F58-Y87 AromaticContact CZ-CE2 3.43Å; F58-Y87 HydrophobicContact CZ-CE2 3.43Å; F58-Y87 VanDerWaalsContact CZ-CE2 3.43Å; F58-Y87 AromaticContact CZ-CZ 3.85Å; F58-Y87 WeakPolarHBondContact CZ-OH 3.44Å; L61-Y87 HydrophobicContact CB-CD2 4.5Å; Q62-Y87 HydrophobicContact CB-CD2 4.27Å; Q62-Y87 HydrophobicContact CB-CE2 4.3Å; S85-Y87 VanDerWaalsContact C-N 3.3Å; S85-Y87 PolarHBondContact O-N 3.32Å; Y87-L89 VanDerWaalsContact C-N 3.31Å; Y87-L89 PolarHBondContact O-N 2.92Å; Y87-V90 PolarHBondContact O-N 2.77Å; Y87-L91 HydrophobicContact CD1-CD1 4.04Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CE1-CD1 3.34Å; Y87-L91 HydrophobicContact CE1-CG 4.3Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CG 4.16Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 PolarHBondContact O-N 3.11Å; Y87-L91 WeakPolarHBondContact OH-CD1 3.44Å
88T76.6Confident76.2Confident55 Ų5570.5 Ų70.534%0.33733%0.326SS..Hα-helixtrans-65.9-37.1-179.7-51.80000111.2S85 L91 T92 R96S85-T88 WeakPolarHBondContact CB-OG1 3.36Å; S85-T88 PolarHBondContact O-N 3.18Å; S85-T88 PolarHBondContact OG-OG1 3.33Å; T88-L91 PolarHBondContact O-N 2.78Å; T88-T92 HydrophobicContact CG2-CG2 4.13Å; T88-T92 WeakPolarHBondContact O-CB 3.15Å; T88-T92 WeakPolarHBondContact O-CG2 3.22Å; T88-T92 PolarHBondContact O-N 2.89Å; T88-T92 PolarHBondContact O-OG1 3.33Å; T88-R96 CarbonylContact C-O 3.57Å; T88-R96 WeakPolarHBondContact CG2-O 3.14Å; T88-R96 VanDerWaalsContact O-O 3.13Å
89L79.3Confident75.8Confident12 Ų1274.9 Ų74.96%0.06335%0.345CS..Hα-helixtrans-59.9-46.2174.1-167.791.8000111.9S85 L86 Y87 M93 W94S85-L89 WeakPolarHBondContact O-CB 3.32Å; S85-L89 PolarHBondContact O-N 2.84Å; L86-L89 WeakPolarHBondContact O-CB 3.43Å; L86-L89 PolarHBondContact O-N 3.37Å; Y87-L89 VanDerWaalsContact C-N 3.31Å; Y87-L89 PolarHBondContact O-N 2.92Å; L89-M93 PolarHBondContact O-N 3.01Å; L89-W94 HydrophobicContact CD1-CD2 4.37Å; L89-W94 HydrophobicContact CD1-CG 4.2Å; L89-W94 HydrophobicContact CD2-CD2 3.75Å; L89-W94 VanDerWaalsContact CD2-CE2 3.47Å; L89-W94 HydrophobicContact CD2-CE3 4.01Å; L89-W94 HydrophobicContact CD2-CG 4.43Å; L89-W94 HydrophobicContact CD2-CH2 3.78Å; L89-W94 HydrophobicContact CD2-CZ2 3.5Å; L89-W94 VanDerWaalsContact CD2-CZ2 3.5Å; L89-W94 HydrophobicContact CD2-CZ3 4.02Å; L89-W94 HydrophobicContact CG-CD2 3.9Å; L89-W94 HydrophobicContact CG-CE3 4.25Å; L89-W94 HydrophobicContact CG-CG 4.14Å; L89-W94 PolarHBondContact O-N 3.16Å
90V79.4Confident75.7Confident63 Ų6381.7 Ų81.738%0.38237%0.37SS..Hα-helixtrans-67.2-46.4177.9170.60000110.7L61 L86 Y87 T92 M93L61-V90 HydrophobicContact CD1-CB 4.15Å; L61-V90 HydrophobicContact CD1-CG1 3.95Å; L61-V90 HydrophobicContact CD1-CG2 3.91Å; L86-V90 HydrophobicContact CD2-CG2 4.36Å; L86-V90 VanDerWaalsContact O-CG2 3.3Å; L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.36Å; Y87-V90 PolarHBondContact O-N 2.77Å; V90-T92 VanDerWaalsContact C-N 3.29Å; V90-T92 PolarHBondContact O-N 2.79Å; V90-M93 PolarHBondContact O-N 2.95Å
91L76.8Confident75.5Confident92 Ų9284.3 Ų84.348%0.48238%0.384SS..Hα-helixtrans-61.8-35.1180-88.8-171.9000113.8F58 Y87 T88 M93F58-L91 HydrophobicContact CE2-CD2 3.8Å; F58-L91 HydrophobicContact CE2-CG 4.31Å; Y87-L91 HydrophobicContact CD1-CD1 4.04Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CE1-CD1 3.34Å; Y87-L91 HydrophobicContact CE1-CG 4.3Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CG 4.16Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 PolarHBondContact O-N 3.11Å; Y87-L91 WeakPolarHBondContact OH-CD1 3.44Å; T88-L91 PolarHBondContact O-N 2.78Å; L91-M93 VanDerWaalsContact C-N 3.34Å
92T78.5Confident75.5Confident42 Ų4287.2 Ų87.226%0.25840%0.403SS..THydrogen-bonded Turntrans-96.411.7-176.168.20000112.7T88 V90 W94 R95 R96T88-T92 HydrophobicContact CG2-CG2 4.13Å; T88-T92 WeakPolarHBondContact O-CB 3.15Å; T88-T92 WeakPolarHBondContact O-CG2 3.22Å; T88-T92 PolarHBondContact O-N 2.89Å; T88-T92 PolarHBondContact O-OG1 3.33Å; V90-T92 VanDerWaalsContact C-N 3.29Å; V90-T92 PolarHBondContact O-N 2.79Å; T92-W94 VanDerWaalsContact C-N 3.33Å; T92-W94 PolarHBondContact O-N 2.83Å; T92-R95 WeakPolarHBondContact O-CB 3.3Å; T92-R95 PolarHBondContact O-N 2.85Å; T92-R95 VanDerWaalsContact O-N 3.11Å; T92-R96 WeakPolarHBondContact CB-O 3.24Å; T92-R96 HydrophobicContact CG2-CB 3.86Å; T92-R96 WeakPolarHBondContact CG2-O 3.3Å; T92-R96 PolarHBondContact OG1-N 2.89Å; T92-R96 PolarHBondContact OG1-O 3.22Å
93M71.3Confident75.3Confident158 Ų15885 Ų8578%0.77839%0.394SS*.THydrogen-bonded Turntrans53.649.2-179.2-61.4-72-74.900111.7L89 V90 L91 R95L89-M93 PolarHBondContact O-N 3.01Å; V90-M93 PolarHBondContact O-N 2.95Å; L91-M93 VanDerWaalsContact C-N 3.34Å; M93-R95 PolarHBondContact O-N 2.95Å; M93-R95 VanDerWaalsContact O-N 3.09Å
94W67.2Low75.3Confident186 Ų18687.2 Ų87.271%0.70541%0.405SS*.THydrogen-bonded Turntrans64.17.8-179.5-117.1-86.9000115.8L89 T92L89-W94 HydrophobicContact CD1-CD2 4.37Å; L89-W94 HydrophobicContact CD1-CG 4.2Å; L89-W94 HydrophobicContact CD2-CD2 3.75Å; L89-W94 VanDerWaalsContact CD2-CE2 3.47Å; L89-W94 HydrophobicContact CD2-CE3 4.01Å; L89-W94 HydrophobicContact CD2-CG 4.43Å; L89-W94 HydrophobicContact CD2-CH2 3.78Å; L89-W94 HydrophobicContact CD2-CZ2 3.5Å; L89-W94 VanDerWaalsContact CD2-CZ2 3.5Å; L89-W94 HydrophobicContact CD2-CZ3 4.02Å; L89-W94 HydrophobicContact CG-CD2 3.9Å; L89-W94 HydrophobicContact CG-CE3 4.25Å; L89-W94 HydrophobicContact CG-CG 4.14Å; L89-W94 PolarHBondContact O-N 3.16Å; T92-W94 VanDerWaalsContact C-N 3.33Å; T92-W94 PolarHBondContact O-N 2.83Å
95R64.7Low75.4Confident225 Ų22586.6 Ų86.685%0.84940%0.402SS*.SBendtrans-85.8-29.5-179.1-65.3-174.8175.9-169.6-0.6113.5T92 M93T92-R95 WeakPolarHBondContact O-CB 3.3Å; T92-R95 PolarHBondContact O-N 2.85Å; T92-R95 VanDerWaalsContact O-N 3.11Å; M93-R95 PolarHBondContact O-N 2.95Å; M93-R95 VanDerWaalsContact O-N 3.09Å
96R63.1Low75.1Confident197 Ų19789.9 Ų89.974%0.74342%0.421SS*.SBendtrans-145.1119.2-177.6-77.6-174.9179.9179.7-1.2110.8T88 T92T88-R96 CarbonylContact C-O 3.57Å; T88-R96 WeakPolarHBondContact CG2-O 3.14Å; T88-R96 VanDerWaalsContact O-O 3.13Å; T92-R96 WeakPolarHBondContact CB-O 3.24Å; T92-R96 HydrophobicContact CG2-CB 3.86Å; T92-R96 WeakPolarHBondContact CG2-O 3.3Å; T92-R96 PolarHBondContact OG1-N 2.89Å; T92-R96 PolarHBondContact OG1-O 3.22Å
97G60.8Low75.1Confident9 Ų991.5 Ų91.59%0.09343%0.427CS..  trans-175.513175.200000112.6I84 S85I84-G97 VanDerWaalsContact CA-O 3.3Å; I84-G97 WeakPolarHBondContact CA-O 3.13Å; S85-G97 PolarHBondContact N-O 3.25Å
98H71.6Confident75Confident120 Ų12089.2 Ų89.256%0.55642%0.419SS*.EExtended strand (participates in β ladder)trans-120.796.9179.5-58.5-53.8000106.5I84 R100I84-H98 WeakPolarHBondContact CG1-ND1 3.4Å; H98-R100 PolarHBondContact O-N 2.9Å
99E76Confident74.7Confident122 Ų12289.2 Ų89.257%0.5742%0.421SS*.EExtended strand (participates in β ladder)trans-80.9115.8165.9-66.3-169.6168.100106.8K82 T83 Q141K82-E99 CarbonylContact C-O 3.59Å; K82-E99 VanDerWaalsContact CA-O 3.27Å; K82-E99 WeakPolarHBondContact CA-O 3.36Å; T83-E99 PolarHBondContact N-O 3.35Å; T83-E99 PolarHBondContact O-N 2.78Å; E99-Q141 PolarHBondContact OE2-NE2 3.09Å
100R81Confident74.4Confident144 Ų14489.7 Ų89.754%0.54342%0.423SS..EExtended strand (participates in β ladder)trans-114.7110.6176.7-175.8-177.7-179.2-163.31.6108.4E80 L81 K82 H98 V102E80-R100 IonicContact OE1-CZ 3.73Å; E80-R100 IonicContact OE1-NH2 2.72Å; E80-R100 PolarHBondContact OE1-NH2 3.23Å; E80-R100 IonicContact OE2-CZ 3.26Å; E80-R100 VanDerWaalsContact OE2-CZ 3.26Å; E80-R100 IonicContact OE2-NE 3.37Å; E80-R100 PolarHBondContact OE2-NE 2.98Å; E80-R100 IonicContact OE2-NH2 2.84Å; E80-R100 PolarHBondContact OE2-NH2 3.22Å; L81-R100 CarbonylContact O-C 3.46Å; L81-R100 WeakPolarHBondContact O-CA 3.43Å; K82-R100 HydrophobicContact CG-CB 4.29Å; K82-R100 HydrophobicContact CG-CG 3.99Å; H98-R100 PolarHBondContact O-N 2.9Å; R100-V102 HydrophobicContact CG-CG2 4.08Å
101L80Confident74.3Confident71 Ų7186.8 Ų86.837%0.37241%0.406SS..EExtended strand (participates in β ladder)trans-98.1130.2170.8-176.466000108.7E80 L81 L103 Y137E80-L101 CarbonylContact C-O 3.58Å; E80-L101 WeakPolarHBondContact CA-O 3.28Å; L81-L101 HydrophobicContact CB-CB 4.31Å; L81-L101 HydrophobicContact CD1-CD2 4.29Å; L81-L101 PolarHBondContact N-O 2.66Å; L81-L101 PolarHBondContact O-N 2.86Å; L101-L103 HydrophobicContact CD2-CD1 4.17Å; L101-L103 HydrophobicContact CD2-CD2 4.32Å; L101-L103 HydrophobicContact CD2-CG 4.25Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 4.16Å; L101-Y137 HydrophobicContact CD2-CD1 4.21Å; L101-Y137 HydrophobicContact CD2-CE1 4.43Å
102V82.4Confident74.2Confident77 Ų7783.8 Ų83.847%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-117.8116-180-175.90000107.4V78 V79 E80 R100V78-V102 HydrophobicContact CG1-CG1 3.28Å; V79-V102 CarbonylContact O-C 3.59Å; V79-V102 WeakPolarHBondContact O-CA 3.49Å; E80-V102 HydrophobicContact CG-CG2 4.49Å; R100-V102 HydrophobicContact CG-CG2 4.08Å
103L79.8Confident74Confident18 Ų1884.1 Ų84.19%0.09439%0.394CS..EExtended strand (participates in β ladder)trans-112.7147179.5-60.3160.9000109.4V78 V79 L81 L101 L129 L131 Y137V78-L103 WeakPolarHBondContact CA-O 3.03Å; V79-L103 HydrophobicContact CB-CB 4.22Å; V79-L103 PolarHBondContact N-O 3.38Å; V79-L103 PolarHBondContact O-N 2.84Å; L81-L103 HydrophobicContact CD1-CD1 3.92Å; L101-L103 HydrophobicContact CD2-CD1 4.17Å; L101-L103 HydrophobicContact CD2-CD2 4.32Å; L101-L103 HydrophobicContact CD2-CG 4.25Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 4.16Å; L103-L129 HydrophobicContact CD1-CD1 4.26Å; L103-L131 HydrophobicContact CD2-CD2 4.19Å; L103-Y137 HydrophobicContact CD2-CD2 4.03Å; L103-Y137 HydrophobicContact CD2-CE2 4.13Å
104D81.7Confident74Confident65 Ų6580.1 Ų80.135%0.34838%0.376SS..EExtended strand (participates in β ladder)trans-81.5126.5176.2-167.3-27.3000109.9T106 Q107D104-T106 PolarHBondContact O-N 3.47Å; D104-T106 WeakPolarHBondContact OD1-CB 3.19Å; D104-T106 PolarHBondContact OD1-N 2.87Å; D104-T106 PolarHBondContact OD1-OG1 2.94Å; D104-T106 PolarHBondContact OD2-OG1 3.4Å; D104-Q107 HydrophobicContact CB-CG 4.22Å; D104-Q107 PolarHBondContact O-N 3.44Å
105L79Confident74.2Confident27 Ų2773.9 Ų73.914%0.14136%0.355CS..G310 helixtrans-67.5-26.6-179.8-158.176.7000111.8F72 K74 K77 V79 Q107 L108 L162F72-L105 HydrophobicContact CD1-CD1 4.27Å; K74-L105 HydrophobicContact CG-CD2 4.13Å; K77-L105 HydrophobicContact CB-CB 4.24Å; K77-L105 VanDerWaalsContact O-CB 3.27Å; K77-L105 WeakPolarHBondContact O-CB 3.31Å; K77-L105 PolarHBondContact O-N 3.45Å; V79-L105 HydrophobicContact CG2-CD1 3.22Å; V79-L105 HydrophobicContact CG2-CG 4.5Å; L105-Q107 PolarHBondContact O-N 3.3Å; L105-L108 HydrophobicContact CD1-CD2 4.29Å; L105-L108 WeakPolarHBondContact O-CB 3.37Å; L105-L108 PolarHBondContact O-N 2.98Å; L105-L162 HydrophobicContact CD1-CD2 3.66Å; L105-L162 HydrophobicContact CD2-CD2 4.09Å; L105-L162 HydrophobicContact CG-CD2 4.1Å
106T74.8Confident74.3Confident87 Ų8768 Ų6853%0.53434%0.337SS..G310 helixtrans-68.9-25.9178.661.40000112.8K77 D104 L108K77-T106 HydrophobicContact CB-CG2 4.33Å; K77-T106 HydrophobicContact CD-CG2 3.73Å; D104-T106 PolarHBondContact O-N 3.47Å; D104-T106 WeakPolarHBondContact OD1-CB 3.19Å; D104-T106 PolarHBondContact OD1-N 2.87Å; D104-T106 PolarHBondContact OD1-OG1 2.94Å; D104-T106 PolarHBondContact OD2-OG1 3.4Å; T106-L108 VanDerWaalsContact C-N 3.34Å
107Q75.2Confident73.9Confident87 Ų8767.9 Ų67.941%0.40734%0.336SS..G310 helixtrans-86.8-8.1176.7-62-175.69.400111.8D104 L105 C109 L131 A132D104-Q107 HydrophobicContact CB-CG 4.22Å; D104-Q107 PolarHBondContact O-N 3.44Å; L105-Q107 PolarHBondContact O-N 3.3Å; Q107-C109 PolarHBondContact O-N 2.86Å; Q107-L131 HydrophobicContact CB-CB 4.45Å; Q107-L131 HydrophobicContact CB-CD2 4.13Å; Q107-L131 HydrophobicContact CB-CG 4.4Å; Q107-L131 CarbonylContact O-C 3.56Å; Q107-L131 WeakPolarHBondContact O-CA 3.34Å; Q107-A132 PolarHBondContact O-N 2.88Å
108L76Confident73.8Confident16 Ų1670.3 Ų70.38%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-78.9110.7-178.8-172.564.9000110.1L105 T106 L129 L162L105-L108 HydrophobicContact CD1-CD2 4.29Å; L105-L108 WeakPolarHBondContact O-CB 3.37Å; L105-L108 PolarHBondContact O-N 2.98Å; T106-L108 VanDerWaalsContact C-N 3.34Å; L108-L129 HydrophobicContact CD1-CB 3.68Å; L108-L129 HydrophobicContact CD1-CD2 4.06Å; L108-L129 HydrophobicContact CD1-CG 4.35Å; L108-L129 HydrophobicContact CD2-CD2 4.32Å; L108-L162 HydrophobicContact CD2-CD1 3.61Å
109C70.5Confident72.8Confident55 Ų5575 Ų7537%0.37236%0.362SS..EExtended strand (participates in β ladder)trans-97.6-40.3-175.8-74.40000113.3Q107 R130 A132Q107-C109 PolarHBondContact O-N 2.86Å; C109-R130 PolarHBondContact N-O 2.88Å; C109-A132 WeakPolarHBondContact SG-CA 2.84Å; C109-A132 WeakPolarHBondContact SG-CB 3.42Å
110D72.8Confident71.6Confident22 Ų2279 Ų7912%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-150.1159.9-176.7-168.622.6000112C112 R130 K159 Q168D110-C112 PolarHBondContact OD2-SG 2.81Å; D110-R130 HydrophobicContact CB-CB 4.25Å; D110-R130 PolarHBondContact N-O 3.36Å; D110-R130 PolarHBondContact O-N 3.46Å; D110-K159 IonicContact OD1-NZ 3.16Å; D110-Q168 PolarHBondContact OD1-NE2 3.41Å; D110-Q168 VanDerWaalsContact OD1-NE2 3.08Å; D110-Q168 PolarHBondContact OD2-NE2 2.95Å; D110-Q168 VanDerWaalsContact OD2-NE2 3.11Å
111I78.3Confident70.5Confident2 Ų277.3 Ų77.31%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-124.4112.4174.7-59.6-176.5000107.4V127 M128 L129 A155 L158 K159 L162 L164I111-V127 HydrophobicContact CG2-CG1 3.34Å; I111-M128 WeakPolarHBondContact CA-O 3.34Å; I111-L129 HydrophobicContact CD1-CD2 4Å; I111-L129 HydrophobicContact CG1-CD2 3.95Å; I111-A155 HydrophobicContact CG2-CB 4.36Å; I111-L158 HydrophobicContact CD1-CB 3.52Å; I111-L158 HydrophobicContact CD1-CD1 4.38Å; I111-L158 HydrophobicContact CD1-CG 4.44Å; I111-K159 HydrophobicContact CB-CG 4.26Å; I111-K159 WeakPolarHBondContact O-CE 3.5Å; I111-K159 PolarHBondContact O-NZ 3.4Å; I111-L162 HydrophobicContact CD1-CD1 3.51Å; I111-L164 HydrophobicContact CD1-CD1 4.06Å; I111-L164 HydrophobicContact CG1-CD1 3.89Å
112C73Confident69.8Low29 Ų2976 Ų7620%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-107151177.1-73.90000110D110 M128D110-C112 PolarHBondContact OD2-SG 2.81Å; C112-M128 PolarHBondContact N-O 3.32Å; C112-M128 PolarHBondContact O-N 3.14Å
113V74.9Confident69Low49 Ų4977.1 Ų77.130%0.29738%0.377SS..EExtended strand (participates in β ladder)trans-99.7118.3165.1179.60000106.2Y125 H126 V151 E152 A155V113-Y125 HydrophobicContact CG1-CD1 4.32Å; V113-H126 WeakPolarHBondContact CA-O 3.33Å; V113-V151 HydrophobicContact CG1-CG1 3.77Å; V113-V151 HydrophobicContact CG2-CG1 4.32Å; V113-E152 HydrophobicContact CG2-CG 4.37Å; V113-A155 HydrophobicContact CG2-CB 3.56Å
114D71.8Confident68.4Low74 Ų7476.3 Ų76.340%0.39637%0.373SS..EExtended strand (participates in β ladder)trans-101.1141.7176.6-157.77.9000111H126 M128D114-H126 PolarHBondContact N-O 3.47Å; D114-H126 PolarHBondContact O-N 3.29Å; D114-H126 VanDerWaalsContact O-N 3.16Å; D114-M128 HydrophobicContact CB-CE 3.51Å; D114-M128 HydrophobicContact CB-CG 4.29Å; D114-M128 WeakPolarHBondContact OD2-CE 3.28Å
115E70.9Confident67.9Low55 Ų5574.7 Ų74.726%0.25736%0.362SS..EExtended strand (participates in β ladder)trans-95.298.7178.3-174.4-172.9133.700108.1R117 K123 G124 Y125E115-R117 PolarHBondContact O-N 3.32Å; E115-R117 IonicContact OE1-NE 2.78Å; E115-R117 PolarHBondContact OE1-NE 3.27Å; E115-K123 VanDerWaalsContact CD-NZ 3.3Å; E115-K123 HydrophobicContact CG-CB 4.26Å; E115-K123 HydrophobicContact CG-CD 4.46Å; E115-K123 HydrophobicContact CG-CG 4.4Å; E115-K123 WeakPolarHBondContact OE1-CD 3.25Å; E115-K123 WeakPolarHBondContact OE1-CE 3.43Å; E115-K123 WeakPolarHBondContact OE1-CG 3.46Å; E115-K123 IonicContact OE1-NZ 3.27Å; E115-K123 PolarHBondContact OE1-NZ 3.23Å; E115-K123 IonicContact OE2-NZ 2.81Å; E115-K123 PolarHBondContact OE2-NZ 3.39Å; E115-G124 CarbonylContact C-O 3.57Å; E115-G124 WeakPolarHBondContact CA-O 3.28Å; E115-Y125 HydrophobicContact CB-CD1 4.25Å; E115-Y125 HydrophobicContact CB-CE1 4.07Å; E115-Y125 HydrophobicContact CG-CD1 4.31Å; E115-Y125 HydrophobicContact CG-CE1 3.83Å
116E65.9Low67.8Low103 Ų10374.1 Ų74.148%0.48136%0.359SS..EExtended strand (participates in β ladder)trans-82.9108173.6-165.8162.2-165.300109.5V118 G124 H126E116-V118 PolarHBondContact O-N 3.42Å; E116-G124 PolarHBondContact N-O 3.41Å; E116-G124 PolarHBondContact O-N 2.91Å; E116-H126 IonicContact OE2-CE1 3.87Å; E116-H126 IonicContact OE2-ND1 3.92Å
117R55.3Low68Low194 Ų19470 Ų7073%0.73233%0.333SS*.EExtended strand (participates in β ladder)trans-78.2101.4175.3-75.2-170.6179-179.66.1110.1E115 R119E115-R117 PolarHBondContact O-N 3.32Å; E115-R117 IonicContact OE1-NE 2.78Å; E115-R117 PolarHBondContact OE1-NE 3.27Å; R117-R119 PolarHBondContact O-N 2.95Å
118V58.4Low68.2Low59 Ų5967 Ų6736%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-81.5118.5174.1-169.40000108.4E116 Y120 L121 G122E116-V118 PolarHBondContact O-N 3.42Å; V118-Y120 PolarHBondContact O-N 2.88Å; V118-L121 HydrophobicContact CB-CB 4.2Å; V118-L121 HydrophobicContact CG1-CB 3.98Å; V118-L121 HydrophobicContact CG1-CD1 4.3Å; V118-L121 PolarHBondContact O-N 3.45Å; V118-G122 PolarHBondContact N-O 3.01Å; V118-G122 PolarHBondContact O-N 3.39Å
119R51.1Low68.4Low220 Ų22066.3 Ų66.383%0.8332%0.316SS*.THydrogen-bonded Turntrans-49.6-22.7-169.2-156.1173.6-172.4176.81.5115.8R117R117-R119 PolarHBondContact O-N 2.95Å
120Y51.9Low68.8Low205 Ų20569.7 Ų69.780%0.80432%0.321SS*.THydrogen-bonded Turntrans-133.8-8.7-179.7-59.7-76.6000115.4V118V118-Y120 PolarHBondContact O-N 2.88Å
121L56.3Low69.1Low108 Ų10869.2 Ų69.257%0.56532%0.318SS*.THydrogen-bonded Turntrans-1126.6-177.5-82.9118.9000112.8V118 M145V118-L121 HydrophobicContact CB-CB 4.2Å; V118-L121 HydrophobicContact CG1-CB 3.98Å; V118-L121 HydrophobicContact CG1-CD1 4.3Å; V118-L121 PolarHBondContact O-N 3.45Å; L121-M145 HydrophobicContact CB-CE 3.7Å; L121-M145 HydrophobicContact CB-SD 3.77Å; L121-M145 HydrophobicContact CD2-CE 3.66Å; L121-M145 HydrophobicContact CD2-SD 3.28Å; L121-M145 WeakPolarHBondContact CD2-SD 3.31Å; L121-M145 HydrophobicContact CG-CE 4.23Å; L121-M145 HydrophobicContact CG-SD 4.11Å; L121-M145 WeakPolarHBondContact O-CE 3.24Å
122G64.9Low68.8Low43 Ų4372.5 Ų72.544%0.44335%0.346SS..EExtended strand (participates in β ladder)trans87.5-150.2175.900000112.8V118V118-G122 PolarHBondContact N-O 3.01Å; V118-G122 PolarHBondContact O-N 3.39Å
123K66.8Low68.7Low102 Ų10274.5 Ų74.544%0.44336%0.364SS..EExtended strand (participates in β ladder)trans-93.5117.7-175.2-61.3179.3168.8-135.60110.3E115 Y125E115-K123 VanDerWaalsContact CD-NZ 3.3Å; E115-K123 HydrophobicContact CG-CB 4.26Å; E115-K123 HydrophobicContact CG-CD 4.46Å; E115-K123 HydrophobicContact CG-CG 4.4Å; E115-K123 WeakPolarHBondContact OE1-CD 3.25Å; E115-K123 WeakPolarHBondContact OE1-CE 3.43Å; E115-K123 WeakPolarHBondContact OE1-CG 3.46Å; E115-K123 IonicContact OE1-NZ 3.27Å; E115-K123 PolarHBondContact OE1-NZ 3.23Å; E115-K123 IonicContact OE2-NZ 2.81Å; E115-K123 PolarHBondContact OE2-NZ 3.39Å; K123-Y125 HydrophobicContact CB-CE2 4.25Å
124G66.6Low68.4Low1 Ų175.6 Ų75.61%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-95.8146.216600000110E115 E116E115-G124 CarbonylContact C-O 3.57Å; E115-G124 WeakPolarHBondContact CA-O 3.28Å; E116-G124 PolarHBondContact N-O 3.41Å; E116-G124 PolarHBondContact O-N 2.91Å
125Y71.6Confident68.6Low30 Ų3075.8 Ų75.812%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-120.4136.4173.4-59.9-84.6000108.8V113 E115 K123 R148V113-Y125 HydrophobicContact CG1-CD1 4.32Å; E115-Y125 HydrophobicContact CB-CD1 4.25Å; E115-Y125 HydrophobicContact CB-CE1 4.07Å; E115-Y125 HydrophobicContact CG-CD1 4.31Å; E115-Y125 HydrophobicContact CG-CE1 3.83Å; K123-Y125 HydrophobicContact CB-CE2 4.25Å; Y125-R148 HydrophobicContact CD1-CB 4.37Å; Y125-R148 HydrophobicContact CD1-CG 4.03Å; Y125-R148 HydrophobicContact CD2-CB 4.06Å; Y125-R148 HydrophobicContact CE1-CB 4.08Å; Y125-R148 HydrophobicContact CE1-CG 3.79Å; Y125-R148 HydrophobicContact CE2-CB 3.75Å; Y125-R148 HydrophobicContact CE2-CG 4.38Å; Y125-R148 HydrophobicContact CG-CB 4.36Å; Y125-R148 HydrophobicContact CG-CG 4.42Å
126H76.6Confident68.8Low16 Ų1675.9 Ų75.97%0.07439%0.392CS..EExtended strand (participates in β ladder)trans-138.9150.9173.964.6-85.4000110.2V113 D114 E116 M128V113-H126 WeakPolarHBondContact CA-O 3.33Å; D114-H126 PolarHBondContact N-O 3.47Å; D114-H126 PolarHBondContact O-N 3.29Å; D114-H126 VanDerWaalsContact O-N 3.16Å; E116-H126 IonicContact OE2-CE1 3.87Å; E116-H126 IonicContact OE2-ND1 3.92Å; H126-M128 VanDerWaalsContact CD2-CG 3.41Å; H126-M128 WeakPolarHBondContact CD2-CG 3.31Å; H126-M128 VanDerWaalsContact NE2-CG 3.3Å; H126-M128 WeakPolarHBondContact NE2-CG 3.47Å
127V79.2Confident69.4Low0 Ų075.2 Ų75.20%039%0.386CS..EExtended strand (participates in β ladder)trans-85.3126.6174.5179.20000108.4Y3 I111 L139 V151 A155 L158Y3-V127 HydrophobicContact CE1-CB 4.26Å; Y3-V127 HydrophobicContact CE1-CG2 3.64Å; Y3-V127 PolarHBondContact OH-N 3.18Å; Y3-V127 VanDerWaalsContact OH-N 3.08Å; I111-V127 HydrophobicContact CG2-CG1 3.34Å; V127-L139 HydrophobicContact CB-CB 3.94Å; V127-L139 HydrophobicContact CB-CD2 3.92Å; V127-L139 HydrophobicContact CG1-CB 4.28Å; V127-L139 HydrophobicContact CG1-CD2 4.06Å; V127-L139 HydrophobicContact CG2-CD2 4.42Å; V127-L139 VanDerWaalsContact O-CB 3.32Å; V127-L139 WeakPolarHBondContact O-CB 3.36Å; V127-L139 PolarHBondContact O-N 2.85Å; V127-V151 HydrophobicContact CG2-CG1 3.62Å; V127-A155 HydrophobicContact CG2-CB 4.21Å; V127-L158 HydrophobicContact CG1-CD1 4.34Å
128M80.1Confident70.4Confident25 Ų2568.7 Ų68.712%0.12337%0.369CS..EExtended strand (participates in β ladder)trans-106.8127.4172.6-76-137.9-9600111.2I111 C112 D114 H126 Y137I111-M128 WeakPolarHBondContact CA-O 3.34Å; C112-M128 PolarHBondContact N-O 3.32Å; C112-M128 PolarHBondContact O-N 3.14Å; D114-M128 HydrophobicContact CB-CE 3.51Å; D114-M128 HydrophobicContact CB-CG 4.29Å; D114-M128 WeakPolarHBondContact OD2-CE 3.28Å; H126-M128 VanDerWaalsContact CD2-CG 3.41Å; H126-M128 WeakPolarHBondContact CD2-CG 3.31Å; H126-M128 VanDerWaalsContact NE2-CG 3.3Å; H126-M128 WeakPolarHBondContact NE2-CG 3.47Å; M128-Y137 WeakPolarHBondContact CA-O 3.36Å
129L80Confident71Confident0 Ų066.3 Ų66.30%035%0.354CS..EExtended strand (participates in β ladder)trans-86.6114.1170.9-60.3178.8000108.5F72 V79 L81 L103 L108 I111 S136 Y137 L139F72-L129 HydrophobicContact CE1-CD2 4.4Å; V79-L129 HydrophobicContact CG1-CD1 4.49Å; L81-L129 HydrophobicContact CD1-CD1 4.27Å; L103-L129 HydrophobicContact CD1-CD1 4.26Å; L108-L129 HydrophobicContact CD1-CB 3.68Å; L108-L129 HydrophobicContact CD1-CD2 4.06Å; L108-L129 HydrophobicContact CD1-CG 4.35Å; L108-L129 HydrophobicContact CD2-CD2 4.32Å; I111-L129 HydrophobicContact CD1-CD2 4Å; I111-L129 HydrophobicContact CG1-CD2 3.95Å; L129-S136 CarbonylContact O-C 3.57Å; L129-S136 WeakPolarHBondContact O-CA 3.4Å; L129-Y137 PolarHBondContact N-O 3.09Å; L129-Y137 PolarHBondContact O-N 2.98Å; L129-L139 HydrophobicContact CD1-CD1 4.04Å; L129-L139 HydrophobicContact CG-CD1 4.41Å
130R79.4Confident71.8Confident126 Ų12656 Ų5648%0.47532%0.316SS..EExtended strand (participates in β ladder)trans-95.1120.5175.7-71.5-174.3174.8-175.40.2110.3C109 D110C109-R130 PolarHBondContact N-O 2.88Å; D110-R130 HydrophobicContact CB-CB 4.25Å; D110-R130 PolarHBondContact N-O 3.36Å; D110-R130 PolarHBondContact O-N 3.46Å
131L78.9Confident72.3Confident13 Ų1351.9 Ų51.97%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-91.9153.6175.3-72.176.4000111.2L103 Q107 A133 G134 I135 Y137L103-L131 HydrophobicContact CD2-CD2 4.19Å; Q107-L131 HydrophobicContact CB-CB 4.45Å; Q107-L131 HydrophobicContact CB-CD2 4.13Å; Q107-L131 HydrophobicContact CB-CG 4.4Å; Q107-L131 CarbonylContact O-C 3.56Å; Q107-L131 WeakPolarHBondContact O-CA 3.34Å; L131-A133 PolarHBondContact O-N 3.02Å; L131-A133 VanDerWaalsContact O-N 3.12Å; L131-G134 PolarHBondContact O-N 3.39Å; L131-I135 PolarHBondContact N-O 3.17Å; L131-Y137 HydrophobicContact CD1-CD2 3.96Å
132A71.6Confident72.3Confident71 Ų7148.9 Ų48.959%0.58729%0.292SS*.THydrogen-bonded Turntrans-53.9-29.3175.100000112.7Q107 C109 G134Q107-A132 PolarHBondContact O-N 2.88Å; C109-A132 WeakPolarHBondContact SG-CA 2.84Å; C109-A132 WeakPolarHBondContact SG-CB 3.42Å; A132-G134 PolarHBondContact O-N 3.18Å; A132-G134 VanDerWaalsContact O-N 3.14Å
133A70.3Confident71.9Confident70 Ų7048.6 Ų48.658%0.57929%0.285SS*.THydrogen-bonded Turntrans-69.80.2175.400000113.8L131 I135L131-A133 PolarHBondContact O-N 3.02Å; L131-A133 VanDerWaalsContact O-N 3.12Å; A133-I135 VanDerWaalsContact C-N 3.3Å; A133-I135 HydrophobicContact CB-CD1 4.35Å; A133-I135 HydrophobicContact CB-CG1 4.3Å
134G69.3Low71.4Confident73 Ų7344.6 Ų44.675%0.75327%0.269SS*.SBendtrans81.16.7-177.300000114.2L131 A132L131-G134 PolarHBondContact O-N 3.39Å; A132-G134 PolarHBondContact O-N 3.18Å; A132-G134 VanDerWaalsContact O-N 3.14Å
135I75.1Confident70.8Confident78 Ų7849.8 Ų49.840%0.430%0.295SS..  trans-92.2129.5-179.7-48.9173.2000109.3L131 A133 Y137L131-I135 PolarHBondContact N-O 3.17Å; A133-I135 VanDerWaalsContact C-N 3.3Å; A133-I135 HydrophobicContact CB-CD1 4.35Å; A133-I135 HydrophobicContact CB-CG1 4.3Å; I135-Y137 HydrophobicContact CB-CE2 4.14Å; I135-Y137 HydrophobicContact CG2-CD2 3.75Å; I135-Y137 HydrophobicContact CG2-CE2 3.27Å
136S75.4Confident70Confident57 Ų5749.9 Ų49.940%0.39931%0.305SS..EExtended strand (participates in β ladder)trans-103.4125.8172550000110.7L129L129-S136 CarbonylContact O-C 3.57Å; L129-S136 WeakPolarHBondContact O-CA 3.4Å
137Y77.9Confident69.3Low88 Ų8851.2 Ų51.235%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-116.1129.3177.3-82-75.7000111.5L101 L103 M128 L129 L131 I135L101-Y137 HydrophobicContact CD2-CD1 4.21Å; L101-Y137 HydrophobicContact CD2-CE1 4.43Å; L103-Y137 HydrophobicContact CD2-CD2 4.03Å; L103-Y137 HydrophobicContact CD2-CE2 4.13Å; M128-Y137 WeakPolarHBondContact CA-O 3.36Å; L129-Y137 PolarHBondContact N-O 3.09Å; L129-Y137 PolarHBondContact O-N 2.98Å; L131-Y137 HydrophobicContact CD1-CD2 3.96Å; I135-Y137 HydrophobicContact CB-CE2 4.14Å; I135-Y137 HydrophobicContact CG2-CD2 3.75Å; I135-Y137 HydrophobicContact CG2-CE2 3.27Å
138P77.6Confident69Low58 Ų5857.5 Ų57.538%0.37735%0.347SS..EExtended strand (participates in β ladder)trans-69.7135.7174.530.2-34.1000110.4T140P138-T140 VanDerWaalsContact C-N 3.26Å; P138-T140 PolarHBondContact O-N 3.22Å
139L70Confident68.7Low8 Ų859.8 Ų59.84%0.04237%0.365CS..SBendtrans-68.4-28.7178.1-17468.2000112.1Y3 M4 L16 A70 F72 L81 V127 L129 V154 L158Y3-L139 HydrophobicContact CE1-CD2 4.39Å; M4-L139 HydrophobicContact CE-CG 4.33Å; M4-L139 HydrophobicContact SD-CD2 3.86Å; M4-L139 HydrophobicContact SD-CG 4.12Å; L16-L139 HydrophobicContact CD1-CD2 4.49Å; A70-L139 HydrophobicContact CB-CD1 4.05Å; F72-L139 HydrophobicContact CE2-CD1 4.21Å; F72-L139 HydrophobicContact CZ-CD1 3.71Å; L81-L139 HydrophobicContact CD2-CD1 3.69Å; V127-L139 HydrophobicContact CB-CB 3.94Å; V127-L139 HydrophobicContact CB-CD2 3.92Å; V127-L139 HydrophobicContact CG1-CB 4.28Å; V127-L139 HydrophobicContact CG1-CD2 4.06Å; V127-L139 HydrophobicContact CG2-CD2 4.42Å; V127-L139 VanDerWaalsContact O-CB 3.32Å; V127-L139 WeakPolarHBondContact O-CB 3.36Å; V127-L139 PolarHBondContact O-N 2.85Å; L129-L139 HydrophobicContact CD1-CD1 4.04Å; L129-L139 HydrophobicContact CG-CD1 4.41Å; L139-V154 HydrophobicContact CD2-CG1 4.44Å; L139-L158 HydrophobicContact CD2-CD1 3.81Å
140T67.9Low68.5Low4 Ų463.3 Ų63.33%0.02538%0.384CS..  trans-129.9134.4179.755.10000108.8Y3 M4 E68 P138 S142Y3-T140 HydrophobicContact CD2-CG2 4.4Å; Y3-T140 HydrophobicContact CE1-CG2 4.22Å; Y3-T140 HydrophobicContact CE2-CG2 3.55Å; Y3-T140 WeakPolarHBondContact CE2-OG1 3.23Å; Y3-T140 VanDerWaalsContact CZ-CG2 3.44Å; Y3-T140 VanDerWaalsContact CZ-OG1 3.32Å; Y3-T140 VanDerWaalsContact OH-CG2 3.31Å; Y3-T140 WeakPolarHBondContact OH-CG2 3.3Å; Y3-T140 PolarHBondContact OH-OG1 2.89Å; M4-T140 HydrophobicContact CE-CG2 3.53Å; M4-T140 HydrophobicContact CG-CG2 4.37Å; M4-T140 HydrophobicContact SD-CG2 4.12Å; E68-T140 WeakPolarHBondContact OE2-CB 3.3Å; E68-T140 WeakPolarHBondContact OE2-CG2 3.26Å; P138-T140 VanDerWaalsContact C-N 3.26Å; P138-T140 PolarHBondContact O-N 3.22Å; T140-S142 VanDerWaalsContact C-N 3.26Å; T140-S142 PolarHBondContact O-N 3.21Å
141Q61.9Low68.4Low119 Ų11957.3 Ų57.356%0.55636%0.362SS*.SBendtrans-74-22.1178.3-73.6-176.2-9.600111.8E68 E99E68-Q141 PolarHBondContact OE1-N 2.97Å; E99-Q141 PolarHBondContact OE2-NE2 3.09Å
142S57Low68.4Low45 Ų4560.3 Ų60.332%0.31538%0.375SS..SBendtrans-108.1116.4175.661.30000112R18 E68 T140 T144R18-S142 VanDerWaalsContact CZ-OG 3.25Å; R18-S142 PolarHBondContact NH1-O 3.27Å; R18-S142 PolarHBondContact NH1-OG 3.05Å; R18-S142 PolarHBondContact NH2-OG 3.41Å; R18-S142 VanDerWaalsContact NH2-OG 3.09Å; E68-S142 PolarHBondContact OE1-N 3.2Å; E68-S142 PolarHBondContact OE1-OG 3.47Å; T140-S142 VanDerWaalsContact C-N 3.26Å; T140-S142 PolarHBondContact O-N 3.21Å; S142-T144 PolarHBondContact O-N 2.84Å
143A57.2Low68.8Low36 Ų3659.5 Ų59.530%0.29837%0.368SS..  trans-61.1120.8171.900000109.6M145A143-M145 PolarHBondContact O-N 3.26Å
144T56.2Low69.3Low19 Ų1956.8 Ų56.812%0.11735%0.345CS..BIsolated β-bridgetrans-72.5120.1171.643.30000109.5Y3 R18 S142 G146Y3-T144 HydrophobicContact CD2-CG2 3.65Å; Y3-T144 WeakPolarHBondContact CD2-OG1 3.41Å; Y3-T144 HydrophobicContact CE2-CG2 4.4Å; R18-T144 VanDerWaalsContact NH2-CG2 3.3Å; S142-T144 PolarHBondContact O-N 2.84Å; T144-G146 PolarHBondContact O-N 2.89Å
145M52.6Low69.9Low109 Ų10953.6 Ų53.654%0.53731%0.311SS..  trans-70.285.4159.2-68.8-177.967.500108.3L121 A143L121-M145 HydrophobicContact CB-CE 3.7Å; L121-M145 HydrophobicContact CB-SD 3.77Å; L121-M145 HydrophobicContact CD2-CE 3.66Å; L121-M145 HydrophobicContact CD2-SD 3.28Å; L121-M145 WeakPolarHBondContact CD2-SD 3.31Å; L121-M145 HydrophobicContact CG-CE 4.23Å; L121-M145 HydrophobicContact CG-SD 4.11Å; L121-M145 WeakPolarHBondContact O-CE 3.24Å; A143-M145 PolarHBondContact O-N 3.26Å
146G56.3Low70.2Confident32 Ų3253.1 Ų53.133%0.3331%0.314SS..SBendtrans-157.8169.7-172.700000112.5T144 R148T144-G146 PolarHBondContact O-N 2.89Å; G146-R148 PolarHBondContact O-N 3.09Å
147G62Low70.5Confident45 Ų4552 Ų5246%0.46430%0.304SS..  trans-60.1130.9-17800000111.9S149 D150G147-S149 PolarHBondContact O-N 3.36Å; G147-D150 PolarHBondContact O-N 2.94Å
148R72.1Confident70.6Confident132 Ų13247.9 Ų47.950%0.49829%0.288SS..Hα-helixtrans-48.2-31.6175.7-174.8174.9165.8176.5-7113.1Y125 G146 D150 V151 E152Y125-R148 HydrophobicContact CD1-CB 4.37Å; Y125-R148 HydrophobicContact CD1-CG 4.03Å; Y125-R148 HydrophobicContact CD2-CB 4.06Å; Y125-R148 HydrophobicContact CE1-CB 4.08Å; Y125-R148 HydrophobicContact CE1-CG 3.79Å; Y125-R148 HydrophobicContact CE2-CB 3.75Å; Y125-R148 HydrophobicContact CE2-CG 4.38Å; Y125-R148 HydrophobicContact CG-CB 4.36Å; Y125-R148 HydrophobicContact CG-CG 4.42Å; G146-R148 PolarHBondContact O-N 3.09Å; R148-D150 PolarHBondContact O-N 3.5Å; R148-V151 PolarHBondContact O-N 3.21Å; R148-E152 HydrophobicContact CG-CG 4.1Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact NE-OE1 3.65Å; R148-E152 PolarHBondContact NE-OE1 3.45Å; R148-E152 IonicContact NH2-OE1 3.19Å; R148-E152 PolarHBondContact NH2-OE1 3.41Å; R148-E152 WeakPolarHBondContact O-CB 3.42Å; R148-E152 WeakPolarHBondContact O-CG 3.43Å; R148-E152 PolarHBondContact O-N 2.84Å
149S73.9Confident70.8Confident72 Ų7247.1 Ų47.150%0.50328%0.278SS..Hα-helixtrans-57.6-42-179.457.90000114.3G147 A153G147-S149 PolarHBondContact O-N 3.36Å; S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.42Å; S149-A153 PolarHBondContact O-N 3.1Å
150D76Confident71.4Confident74 Ų7455.5 Ų55.540%0.39631%0.31SS..Hα-helixtrans-74.5-36-174.5-66.3-5.4000110.4G147 R148 A153 V154G147-D150 PolarHBondContact O-N 2.94Å; R148-D150 PolarHBondContact O-N 3.5Å; D150-A153 PolarHBondContact O-N 2.96Å; D150-V154 WeakPolarHBondContact O-CG2 3.12Å; D150-V154 PolarHBondContact O-N 3.36Å; D150-V154 VanDerWaalsContact O-N 3.11Å
151V76.4Confident71.9Confident1 Ų156.3 Ų56.31%0.00631%0.313CS..Hα-helixtrans-69.8-42.3176.3-173.80000110.3Y3 V113 V127 R148 V154 A155Y3-V151 HydrophobicContact CD1-CG1 4.44Å; Y3-V151 HydrophobicContact CD1-CG2 4.32Å; Y3-V151 HydrophobicContact CD2-CG2 4.25Å; Y3-V151 HydrophobicContact CE1-CG1 4.26Å; Y3-V151 HydrophobicContact CG-CG2 4.03Å; V113-V151 HydrophobicContact CG1-CG1 3.77Å; V113-V151 HydrophobicContact CG2-CG1 4.32Å; V127-V151 HydrophobicContact CG2-CG1 3.62Å; R148-V151 PolarHBondContact O-N 3.21Å; V151-V154 PolarHBondContact O-N 2.89Å; V151-A155 WeakPolarHBondContact O-CB 3.22Å; V151-A155 PolarHBondContact O-N 2.95Å
152E79.3Confident72.6Confident76 Ų7652.2 Ų52.236%0.35529%0.294SS..Hα-helixtrans-66.1-35.5173.8-74.9-178.9161.300112.9V113 R148 A155 S156V113-E152 HydrophobicContact CG2-CG 4.37Å; R148-E152 HydrophobicContact CG-CG 4.1Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact NE-OE1 3.65Å; R148-E152 PolarHBondContact NE-OE1 3.45Å; R148-E152 IonicContact NH2-OE1 3.19Å; R148-E152 PolarHBondContact NH2-OE1 3.41Å; R148-E152 WeakPolarHBondContact O-CB 3.42Å; R148-E152 WeakPolarHBondContact O-CG 3.43Å; R148-E152 PolarHBondContact O-N 2.84Å; E152-A155 PolarHBondContact O-N 2.99Å; E152-S156 WeakPolarHBondContact O-CB 3.32Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.31Å
153A80.6Confident73.2Confident53 Ų5351.4 Ų51.444%0.43829%0.293SS..Hα-helixtrans-64-41.6174.400000111.6S149 D150 S156 L157S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.42Å; S149-A153 PolarHBondContact O-N 3.1Å; D150-A153 PolarHBondContact O-N 2.96Å; A153-S156 WeakPolarHBondContact CA-OG 3.13Å; A153-S156 PolarHBondContact O-OG 3.08Å; A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 PolarHBondContact O-N 3.22Å
154V80.6Confident73.7Confident14 Ų1450.4 Ų50.49%0.08528%0.283CS..Hα-helixtrans-68-42.5174.71740000110.9Y3 L16 L139 D150 V151 L157 L158Y3-V154 HydrophobicContact CD1-CB 4.21Å; Y3-V154 HydrophobicContact CD1-CG1 4.31Å; Y3-V154 HydrophobicContact CD1-CG2 4.19Å; Y3-V154 HydrophobicContact CE1-CG1 4.45Å; L16-V154 HydrophobicContact CD1-CG1 4.02Å; L139-V154 HydrophobicContact CD2-CG1 4.44Å; D150-V154 WeakPolarHBondContact O-CG2 3.12Å; D150-V154 PolarHBondContact O-N 3.36Å; D150-V154 VanDerWaalsContact O-N 3.11Å; V151-V154 PolarHBondContact O-N 2.89Å; V154-L157 PolarHBondContact O-N 3.34Å; V154-L158 HydrophobicContact CG1-CD1 3.98Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 2.99Å
155A81.1Confident73.8Confident6 Ų653.5 Ų53.55%0.0530%0.299CS..Hα-helixtrans-61.8-45.5177.300000112.2I111 V113 V127 V151 E152 L158 K159I111-A155 HydrophobicContact CG2-CB 4.36Å; V113-A155 HydrophobicContact CG2-CB 3.56Å; V127-A155 HydrophobicContact CG2-CB 4.21Å; V151-A155 WeakPolarHBondContact O-CB 3.22Å; V151-A155 PolarHBondContact O-N 2.95Å; E152-A155 PolarHBondContact O-N 2.99Å; A155-L158 PolarHBondContact O-N 3.09Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 2.88Å
156S81.2Confident73.8Confident67 Ų6755.4 Ų55.447%0.46931%0.306SS..Hα-helixtrans-65.7-37.7176.856.70000112.4E152 A153 L158 K159 R160E152-S156 WeakPolarHBondContact O-CB 3.32Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.31Å; A153-S156 WeakPolarHBondContact CA-OG 3.13Å; A153-S156 PolarHBondContact O-OG 3.08Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.39Å; S156-K159 PolarHBondContact O-N 3.33Å; S156-R160 WeakPolarHBondContact O-CB 3.48Å; S156-R160 PolarHBondContact O-N 2.92Å
157L82Confident73.6Confident35 Ų3557 Ų5718%0.18331%0.31CS..Hα-helixtrans-60.7-44.7172.9-170.2157.4000111V6 L14 A153 V154 R160 F161V6-L157 HydrophobicContact CG2-CD1 3.73Å; L14-L157 HydrophobicContact CD1-CD2 3.62Å; L14-L157 HydrophobicContact CD2-CD2 3.57Å; L14-L157 HydrophobicContact CG-CD2 4.25Å; A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 PolarHBondContact O-N 3.22Å; V154-L157 PolarHBondContact O-N 3.34Å; L157-R160 PolarHBondContact O-N 3.37Å; L157-F161 VanDerWaalsContact O-CB 3.27Å; L157-F161 WeakPolarHBondContact O-CB 3Å; L157-F161 PolarHBondContact O-N 2.88Å
158L80.4Confident73.2Confident0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-64.9-46.1177.7-73.9165.3000112.2L14 L16 F72 I111 V127 L139 V154 A155 S156 R160 F161 L162L14-L158 HydrophobicContact CD2-CD2 3.48Å; L14-L158 VanDerWaalsContact CD2-CD2 3.48Å; L14-L158 HydrophobicContact CD2-CG 4.37Å; L16-L158 HydrophobicContact CD1-CD1 4.33Å; L16-L158 HydrophobicContact CD1-CD2 4.13Å; L16-L158 HydrophobicContact CD1-CG 4.4Å; F72-L158 HydrophobicContact CD1-CD2 4.3Å; F72-L158 HydrophobicContact CD2-CD2 3.89Å; F72-L158 HydrophobicContact CE1-CD2 3.93Å; F72-L158 HydrophobicContact CE2-CD2 3.49Å; F72-L158 VanDerWaalsContact CE2-CD2 3.49Å; F72-L158 HydrophobicContact CG-CD2 4.3Å; F72-L158 HydrophobicContact CZ-CD1 4.42Å; F72-L158 HydrophobicContact CZ-CD2 3.51Å; I111-L158 HydrophobicContact CD1-CB 3.52Å; I111-L158 HydrophobicContact CD1-CD1 4.38Å; I111-L158 HydrophobicContact CD1-CG 4.44Å; V127-L158 HydrophobicContact CG1-CD1 4.34Å; L139-L158 HydrophobicContact CD2-CD1 3.81Å; V154-L158 HydrophobicContact CG1-CD1 3.98Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 2.99Å; A155-L158 PolarHBondContact O-N 3.09Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.39Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.19Å; L158-F161 PolarHBondContact O-N 3Å; L158-L162 WeakPolarHBondContact O-CB 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.66Å
159K82.3Confident72.2Confident42 Ų4260.3 Ų60.318%0.18331%0.311CS..Hα-helixtrans-57.2-46.9175.7-75.3-169.8176.4-153.60111.8D110 I111 A155 S156 L162 G163 L164D110-K159 IonicContact OD1-NZ 3.16Å; I111-K159 HydrophobicContact CB-CG 4.26Å; I111-K159 WeakPolarHBondContact O-CE 3.5Å; I111-K159 PolarHBondContact O-NZ 3.4Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 2.88Å; S156-K159 PolarHBondContact O-N 3.33Å; K159-L162 PolarHBondContact O-N 3.38Å; K159-G163 PolarHBondContact O-N 3.19Å; K159-L164 PolarHBondContact O-N 3.21Å; K159-L164 VanDerWaalsContact O-N 3.12Å
160R81.5Confident71.1Confident184 Ų18463.4 Ų63.469%0.69432%0.315SS*.Hα-helixtrans-63.8-42.1176.2-172.9177.269.3174.30.9112S156 L157 L158 L162 G163S156-R160 WeakPolarHBondContact O-CB 3.48Å; S156-R160 PolarHBondContact O-N 2.92Å; L157-R160 PolarHBondContact O-N 3.37Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.19Å; R160-L162 VanDerWaalsContact C-N 3.35Å; R160-G163 PolarHBondContact O-N 3.1Å
161F78.8Confident70Confident21 Ų2164.9 Ų64.99%0.09232%0.32CS..Hα-helixtrans-63.1-43.3178.4179.3-109.4000111.2S10 P11 L14 F72 K74 L157 L158S10-F161 WeakPolarHBondContact O-CE2 3.16Å; P11-F161 WeakPolarHBondContact O-CE2 3.11Å; L14-F161 HydrophobicContact CB-CD1 3.85Å; L14-F161 HydrophobicContact CB-CD2 4.3Å; L14-F161 HydrophobicContact CB-CE1 3.62Å; L14-F161 HydrophobicContact CB-CE2 4.12Å; L14-F161 HydrophobicContact CB-CG 4.18Å; L14-F161 HydrophobicContact CB-CZ 3.76Å; L14-F161 HydrophobicContact CD2-CB 4.27Å; L14-F161 HydrophobicContact CD2-CD1 3.96Å; L14-F161 HydrophobicContact CD2-CG 4.1Å; F72-F161 HydrophobicContact CB-CD1 4.49Å; F72-F161 HydrophobicContact CB-CE1 3.94Å; K74-F161 HydrophobicContact CD-CE1 4.37Å; K74-F161 HydrophobicContact CD-CE2 4.48Å; K74-F161 HydrophobicContact CD-CZ 4.05Å; K74-F161 WeakPolarHBondContact CE-O 3.41Å; K74-F161 HydrophobicContact CG-CE1 4.11Å; K74-F161 HydrophobicContact CG-CZ 4.03Å; K74-F161 PolarHBondContact NZ-O 3.43Å; L157-F161 VanDerWaalsContact O-CB 3.27Å; L157-F161 WeakPolarHBondContact O-CB 3Å; L157-F161 PolarHBondContact O-N 2.88Å; L158-F161 PolarHBondContact O-N 3Å
162L76.1Confident68.9Low33 Ų3371 Ų7117%0.17335%0.348CS..Hα-helixtrans-83.6-11-177.1-65.1164.9000113.6L105 L108 I111 L158 K159 R160 L164L105-L162 HydrophobicContact CD1-CD2 3.66Å; L105-L162 HydrophobicContact CD2-CD2 4.09Å; L105-L162 HydrophobicContact CG-CD2 4.1Å; L108-L162 HydrophobicContact CD2-CD1 3.61Å; I111-L162 HydrophobicContact CD1-CD1 3.51Å; L158-L162 WeakPolarHBondContact O-CB 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.66Å; K159-L162 PolarHBondContact O-N 3.38Å; R160-L162 VanDerWaalsContact C-N 3.35Å; L162-L164 HydrophobicContact CB-CD1 3.97Å; L162-L164 HydrophobicContact CB-CG 3.74Å; L162-L164 HydrophobicContact CD1-CD1 3.92Å; L162-L164 PolarHBondContact O-N 3Å
163G69.8Low67.6Low28 Ų2872.5 Ų72.529%0.28936%0.355SS..THydrogen-bonded Turntrans70.619.4-176.500000113.4K159 R160 D165 Q166 T167K159-G163 PolarHBondContact O-N 3.19Å; R160-G163 PolarHBondContact O-N 3.1Å; G163-D165 PolarHBondContact O-N 2.82Å; G163-Q166 PolarHBondContact O-N 3.33Å; G163-T167 PolarHBondContact O-OG1 2.85Å
164L67.4Low66.3Low15 Ų1579.2 Ų79.28%0.07937%0.371CS..Hα-helixtrans-67-26.2-176.7-67.1174.1000112.3I111 K159 L162 Q166 T167 Q168I111-L164 HydrophobicContact CD1-CD1 4.06Å; I111-L164 HydrophobicContact CG1-CD1 3.89Å; K159-L164 PolarHBondContact O-N 3.21Å; K159-L164 VanDerWaalsContact O-N 3.12Å; L162-L164 HydrophobicContact CB-CD1 3.97Å; L162-L164 HydrophobicContact CB-CG 3.74Å; L162-L164 HydrophobicContact CD1-CD1 3.92Å; L162-L164 PolarHBondContact O-N 3Å; L164-Q166 PolarHBondContact O-N 3.47Å; L164-T167 PolarHBondContact O-N 3.21Å; L164-Q168 PolarHBondContact O-N 3.3Å
165D59.5Low65.1Low84 Ų8485.5 Ų85.545%0.44940%0.399SS..Hα-helixtrans-60.6-31.9175.1-68.5-31000112.7G163 R169G163-D165 PolarHBondContact O-N 2.82Å; D165-R169 WeakPolarHBondContact O-CB 3.32Å; D165-R169 PolarHBondContact O-N 3.35Å
166Q53.2Low63.7Low150 Ų15091.1 Ų91.170%0.70143%0.428SS*.Hα-helixtrans-77.8-25.6174.6-80.4-179.8-7.500112.7G163 L164 K170G163-Q166 PolarHBondContact O-N 3.33Å; L164-Q166 PolarHBondContact O-N 3.47Å; Q166-K170 WeakPolarHBondContact O-CG 3.2Å; Q166-K170 PolarHBondContact O-N 3.19Å
167T51.4Low62.3Low66 Ų6696.5 Ų96.541%0.40544%0.44SS..Hα-helixtrans-82.8-40.9-177.3-47.70000110.7G163 L164 K170 Q171G163-T167 PolarHBondContact O-OG1 2.85Å; L164-T167 PolarHBondContact O-N 3.21Å; T167-K170 PolarHBondContact O-N 2.88Å; T167-Q171 WeakPolarHBondContact O-CG 3.14Å; T167-Q171 PolarHBondContact O-N 3.47Å
168Q53Low60.9Low58 Ų5898 Ų9827%0.27146%0.463SS..Hα-helixtrans-62.4-44.2171.2-92.1-176.1-2800112.2D110 L164 K170 Q171 Q172D110-Q168 PolarHBondContact OD1-NE2 3.41Å; D110-Q168 VanDerWaalsContact OD1-NE2 3.08Å; D110-Q168 PolarHBondContact OD2-NE2 2.95Å; D110-Q168 VanDerWaalsContact OD2-NE2 3.11Å; L164-Q168 PolarHBondContact O-N 3.3Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.99Å; Q168-Q171 PolarHBondContact O-N 3.27Å; Q168-Q172 PolarHBondContact O-N 3.15Å
169R51.4Low59.3Low187 Ų187106.5 Ų106.571%0.70650%0.503SS*.Hα-helixtrans-61.4-39.8177.4-171172.9173.9168.9-0.4112D165 E173D165-R169 WeakPolarHBondContact O-CB 3.32Å; D165-R169 PolarHBondContact O-N 3.35Å; R169-E173 VanDerWaalsContact O-CB 3.23Å; R169-E173 WeakPolarHBondContact O-CB 2.96Å; R169-E173 PolarHBondContact O-N 2.89Å
170K50.8Low57.6Low138 Ų138111.9 Ų111.960%0.653%0.534SS*.Hα-helixtrans-68.1-37.4173.8-79.5-178.3176.9-176.60113.1Q166 T167 Q168 E173 Y174Q166-K170 WeakPolarHBondContact O-CG 3.2Å; Q166-K170 PolarHBondContact O-N 3.19Å; T167-K170 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.99Å; K170-E173 PolarHBondContact O-N 3.34Å; K170-Y174 VanDerWaalsContact O-CD2 3.29Å; K170-Y174 WeakPolarHBondContact O-CD2 3.43Å; K170-Y174 PolarHBondContact O-N 3Å; K170-Y174 VanDerWaalsContact O-N 3.1Å
171Q53.3Low56.1Low104 Ų104110.8 Ų110.849%0.48654%0.542SS..Hα-helixtrans-69.3-42.3177.5-78.1175.3-16.300112T167 Q168 E173 Y174 E175T167-Q171 WeakPolarHBondContact O-CG 3.14Å; T167-Q171 PolarHBondContact O-N 3.47Å; Q168-Q171 PolarHBondContact O-N 3.27Å; Q171-E173 VanDerWaalsContact C-N 3.3Å; Q171-E173 PolarHBondContact O-N 2.9Å; Q171-Y174 PolarHBondContact O-N 2.87Å; Q171-E175 PolarHBondContact O-N 2.94Å
172Q52.8Low54.7Low131 Ų131114.9 Ų114.961%0.61257%0.573SS**Hα-helixtrans-61.9-39.2172.8-77.6175.7-22.300111.9Q168 Y174 E175 D176Q168-Q172 PolarHBondContact O-N 3.15Å; Q172-Y174 PolarHBondContact O-N 2.87Å; Q172-E175 PolarHBondContact O-N 2.96Å; Q172-D176 VanDerWaalsContact O-CB 3.25Å; Q172-D176 WeakPolarHBondContact O-CB 3.27Å; Q172-D176 PolarHBondContact O-N 2.67Å
173E51.9Low53.1Low106 Ų106120 Ų12050%0.49561%0.606SS.*Hα-helixtrans-72.2-8.2174.1-162172.8-146.600113R169 K170 Q171 Y177R169-E173 VanDerWaalsContact O-CB 3.23Å; R169-E173 WeakPolarHBondContact O-CB 2.96Å; R169-E173 PolarHBondContact O-N 2.89Å; K170-E173 PolarHBondContact O-N 3.34Å; Q171-E173 VanDerWaalsContact C-N 3.3Å; Q171-E173 PolarHBondContact O-N 2.9Å; E173-Y177 HydrophobicContact CG-CD2 4.45Å; E173-Y177 HydrophobicContact CG-CE2 3.99Å; E173-Y177 WeakPolarHBondContact O-CD2 3.41Å
174Y53.7Low52.1Low194 Ų194125.8 Ų125.876%0.76163%0.63SS**Hα-helixtrans-98.2-33.3169.4-97.8-98.9000112K170 Q171 Q172 G178K170-Y174 VanDerWaalsContact O-CD2 3.29Å; K170-Y174 WeakPolarHBondContact O-CD2 3.43Å; K170-Y174 PolarHBondContact O-N 3Å; K170-Y174 VanDerWaalsContact O-N 3.1Å; Q171-Y174 PolarHBondContact O-N 2.87Å; Q172-Y174 PolarHBondContact O-N 2.87Å; Y174-G178 PolarHBondContact O-N 2.83Å
175E54.7Low51.3Low146 Ų146129 Ų12968%0.68265%0.654SS**Hα-helixtrans-70.6-38.2175-72.7177.5172.300111.6Q171 Q172 Y177 G178Q171-E175 PolarHBondContact O-N 2.94Å; Q172-E175 PolarHBondContact O-N 2.96Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3Å; E175-G178 PolarHBondContact O-N 2.94Å; E175-G178 VanDerWaalsContact O-N 3.15Å
176D51.9Low50.7Low125 Ų125133.4 Ų133.467%0.66868%0.677SS**G310 helixtrans-67.5-29.5177.2-168.788.1000112.7Q172 G178Q172-D176 VanDerWaalsContact O-CB 3.25Å; Q172-D176 WeakPolarHBondContact O-CB 3.27Å; Q172-D176 PolarHBondContact O-N 2.67Å; D176-G178 VanDerWaalsContact C-N 3.34Å
177Y53Low50.6Low180 Ų180133.8 Ų133.871%0.70668%0.684SS**G310 helixtrans-84.2-6.4174.5-80.7-99.7000113.6E173 E175E173-Y177 HydrophobicContact CG-CD2 4.45Å; E173-Y177 HydrophobicContact CG-CE2 3.99Å; E173-Y177 WeakPolarHBondContact O-CD2 3.41Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3Å
178G51.2Low50.5Low65 Ų65140.1 Ų140.167%0.6771%0.709SS**G310 helixtrans-94-4.3-178.800000114.8Y174 E175 D176Y174-G178 PolarHBondContact O-N 2.83Å; E175-G178 PolarHBondContact O-N 2.94Å; E175-G178 VanDerWaalsContact O-N 3.15Å; D176-G178 VanDerWaalsContact C-N 3.34Å
179E46.8Very low50.3Low179 Ų179141.8 Ų141.884%0.83673%0.733SS**SBendtrans-101.84.2-174.7-111.2179.2-178.800114.8
180D46.9Very low49.9Very low156 Ų156144.4 Ų144.483%0.83476%0.761SS**SBendtrans-122.331.6-171.2-133.914.6000114.8
181D50Low49.9Very low161 Ų161144.8 Ų144.886%0.86177%0.769SS**  trans-142.366174-147.38.1000114.3
182S48.9Very low49.7Very low107 Ų107146.9 Ų146.975%0.74878%0.784SS**  trans-170.9108.8150.6600000107.2
183T43.4Very low49.5Very low140 Ų140147.8 Ų147.886%0.85979%0.794SS**  -161.3123.954.135.90000110.4
184D48.4Very low49.4Very low150 Ų150150.2 Ų150.280%0.80281%0.811SS**  trans-86.4137167.3-161.84.9000110.6
185S51.6Low49.1Very low83 Ų83147.5 Ų147.558%0.5881%0.814SS**  trans56.598.9149.6-68.70000121.1
186D47Very low48.8Very low175 Ų175147.6 Ų147.694%0.93682%0.823SS**  trans-109.492.2140.8-78.3-28.6000109.3
187N50.4Low48.5Very low158 Ų158149.2 Ų149.285%0.84583%0.834SS**  trans-104.7100.9163.6-124.6-3.5000106.2
188E48.7Very low48.2Very low199 Ų199146.8 Ų146.893%0.9384%0.844SS**  trans-126.8114.9158.2-91-169.5160.800108.9
189A50.1Low48Very low94 Ų94153.7 Ų153.778%0.77786%0.859SS**  trans-91122.3166.400000108.5
190D43.2Very low48.1Very low242 Ų242151.4 Ų151.4100%1.29486%0.861SS**  trans-177.40130.1-103-14.4000110.7

Retrieved 190 of 190 residues in 275.3 ms (Link to these results)

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