A0A060W4P0_ONCMY Loading...

Pyroglutamyl-peptidase I

Removes 5-oxoproline from various penultimate amino acid residues except L-proline.

AlphaFold DB , UniProt , Accession A0A060W4P0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110492528, Length 209 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
1M42.3Very low80.3Confident236 Ų23677.2 Ų77.2100%1.16340%0.397SS*.  0114.30-70167.8-179.700105N3M1-N3 PolarHBondContact O-N 3.31Å
2D45.3Very low81.8Confident158 Ų15870.8 Ų70.885%0.84536%0.364SS*.  trans-61.1108-178.4-172.611.6000108.3S4D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.13Å
3N52.4Low83Confident138 Ų13865.8 Ų65.874%0.73834%0.338SS*.  trans-88.438.6-170.8-162.753.9000110.3M1 K5M1-N3 PolarHBondContact O-N 3.31Å; N3-K5 PolarHBondContact O-N 3.33Å
4S74.2Confident83.8Confident91 Ų9164.6 Ų64.664%0.63633%0.33SS*.  trans-75113.4179.9-169.30000108.6D2D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.13Å
5K84.4Confident84.3Confident109 Ų10963.7 Ų63.747%0.47433%0.33SS..PPolyproline II helixtrans-63.8142.3176.8-67.9-173.8179.2-171.40109.9N3 N7 K38 D41N3-K5 PolarHBondContact O-N 3.33Å; K5-N7 PolarHBondContact O-N 3.15Å; K5-K38 WeakPolarHBondContact CE-O 3.34Å; K5-K38 PolarHBondContact NZ-O 3.26Å; K5-D41 HydrophobicContact CB-CB 4.31Å
6R92.6Very high84.3Confident72 Ų7264.4 Ų64.427%0.27233%0.33SS..EExtended strand (participates in β ladder)trans-72.3123.7175.5-68.8170.9-76.6174.6-6.1109.6D39 V40 D41 Q68 D197R6-D39 PolarHBondContact N-O 3.48Å; R6-V40 CarbonylContact O-C 3.56Å; R6-V40 WeakPolarHBondContact O-CA 3.29Å; R6-D41 PolarHBondContact O-N 3.5Å; R6-Q68 VanDerWaalsContact CG-OE1 3.29Å; R6-D197 IonicContact CZ-OD2 3.29Å; R6-D197 IonicContact NH1-OD1 3.81Å; R6-D197 PolarHBondContact NH1-OD1 3.25Å; R6-D197 IonicContact NH1-OD2 3.87Å; R6-D197 PolarHBondContact NH1-OD2 2.94Å
7N97.1Very high83.9Confident45 Ų4564.4 Ų64.424%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-80.2126.5174.1-72.7-54.1000110K5 H43 Y65 P67 Q68K5-N7 PolarHBondContact O-N 3.15Å; N7-H43 PolarHBondContact OD1-NE2 2.98Å; N7-H43 VanDerWaalsContact OD1-NE2 3.1Å; N7-Y65 WeakPolarHBondContact CB-O 3.38Å; N7-Y65 PolarHBondContact ND2-O 3.46Å; N7-P67 HydrophobicContact CB-CB 4.38Å; N7-P67 CarbonylContact O-C 3.54Å; N7-P67 VanDerWaalsContact O-CA 3.29Å; N7-P67 WeakPolarHBondContact O-CA 3.32Å; N7-P67 WeakPolarHBondContact O-CB 3.43Å; N7-Q68 PolarHBondContact O-N 2.91Å
8V98.3Very high83.4Confident0 Ų066.3 Ų66.30%038%0.376CS..EExtended strand (participates in β ladder)trans-125.5129.9172.2177.20000108.4V10 L36 V40 D41 H43 L69 I189 L193V8-V10 HydrophobicContact CG1-CG2 4Å; V8-L36 HydrophobicContact CB-CD1 4.19Å; V8-L36 HydrophobicContact CG1-CD1 3.96Å; V8-V40 HydrophobicContact CB-CG1 3.94Å; V8-V40 HydrophobicContact CG2-CG1 3.63Å; V8-D41 PolarHBondContact N-O 3.26Å; V8-H43 PolarHBondContact O-N 2.8Å; V8-L69 WeakPolarHBondContact CA-O 3.37Å; V8-I189 HydrophobicContact CG1-CG2 4.12Å; V8-L193 HydrophobicContact CG2-CD1 4.04Å; V8-L193 HydrophobicContact CG2-CD2 3.8Å; V8-L193 HydrophobicContact CG2-CG 4.46Å
9V98.8Very high83Confident0 Ų070 Ų700%039%0.389CS..EExtended strand (participates in β ladder)trans-107130.4174.2-178.50000108.6T11 H43 Y45 L61 Y65 P67 L69 V70 V71V9-T11 HydrophobicContact CG1-CG2 4.1Å; V9-H43 CarbonylContact C-O 3.5Å; V9-H43 WeakPolarHBondContact CA-O 3.37Å; V9-H43 HydrophobicContact CG2-CB 4.18Å; V9-Y45 HydrophobicContact CG1-CD2 4.23Å; V9-L61 HydrophobicContact CG1-CB 4.49Å; V9-L61 HydrophobicContact CG1-CD1 4.05Å; V9-L61 HydrophobicContact CG1-CD2 4.24Å; V9-L61 HydrophobicContact CG1-CG 4.49Å; V9-Y65 HydrophobicContact CG2-CD2 3.92Å; V9-Y65 HydrophobicContact CG2-CG 4.21Å; V9-P67 HydrophobicContact CG2-CB 4.02Å; V9-P67 HydrophobicContact CG2-CG 4.13Å; V9-L69 PolarHBondContact N-O 3.49Å; V9-L69 VanDerWaalsContact N-O 3.1Å; V9-V70 HydrophobicContact CB-CG1 4.28Å; V9-V70 HydrophobicContact CB-CG2 4.09Å; V9-V70 HydrophobicContact CG1-CG1 4.44Å; V9-V70 CarbonylContact O-C 3.59Å; V9-V70 WeakPolarHBondContact O-CA 3.46Å; V9-V71 PolarHBondContact O-N 2.71Å
10V98.9Very high83Confident0 Ų072.7 Ų72.70%041%0.408CS..EExtended strand (participates in β ladder)trans-125128.6174.5-171.40000109.6V8 V28 L31 L42 H43 V44 Y45 V71 V73 I189V8-V10 HydrophobicContact CG1-CG2 4Å; V10-V28 HydrophobicContact CG1-CG1 4.32Å; V10-V28 HydrophobicContact CG1-CG2 3.81Å; V10-L31 HydrophobicContact CB-CD2 4.15Å; V10-L31 HydrophobicContact CG1-CD2 3.91Å; V10-L31 HydrophobicContact CG2-CD2 3.89Å; V10-L42 HydrophobicContact CB-CD1 4.15Å; V10-L42 HydrophobicContact CG2-CD1 3.51Å; V10-H43 PolarHBondContact N-O 3.2Å; V10-V44 HydrophobicContact CB-CG1 4.36Å; V10-V44 WeakPolarHBondContact O-CA 3.4Å; V10-Y45 PolarHBondContact O-N 3.29Å; V10-Y45 VanDerWaalsContact O-N 3.17Å; V10-V71 CarbonylContact C-O 3.59Å; V10-V71 VanDerWaalsContact CA-O 3.22Å; V10-V71 WeakPolarHBondContact CA-O 3.25Å; V10-V71 HydrophobicContact CG1-CB 4.43Å; V10-V71 HydrophobicContact CG2-CB 4.4Å; V10-V73 HydrophobicContact CG1-CG2 3.93Å; V10-I189 HydrophobicContact CG1-CD1 4.3Å; V10-I189 HydrophobicContact CG2-CD1 3.68Å
11T98.8Very high83.2Confident0 Ų074.4 Ų74.40%042%0.415CS..EExtended strand (participates in β ladder)trans-117.4146-178.382.20000111.9V9 Y45 V47 L61 V71 H72 V73V9-T11 HydrophobicContact CG1-CG2 4.1Å; T11-Y45 CarbonylContact C-O 3.54Å; T11-Y45 WeakPolarHBondContact CA-O 3.34Å; T11-Y45 WeakPolarHBondContact CB-O 3.5Å; T11-V47 HydrophobicContact CG2-CG2 4.12Å; T11-L61 HydrophobicContact CG2-CD1 4.03Å; T11-V71 PolarHBondContact N-O 2.95Å; T11-H72 PolarHBondContact OG1-ND1 3.1Å; T11-V73 WeakPolarHBondContact O-CA 3.48Å; T11-V73 WeakPolarHBondContact O-CB 3.25Å; T11-V73 PolarHBondContact O-N 3.09Å
12G98.4Very high85.7Confident0 Ų063.9 Ų63.90%036%0.363CS..EExtended strand (participates in β ladder)trans-120168.3164.600000109.7Y45 E46 V47G12-Y45 PolarHBondContact N-O 3.3Å; G12-E46 CarbonylContact O-C 3.58Å; G12-E46 WeakPolarHBondContact O-CA 3.24Å; G12-V47 PolarHBondContact O-N 3.24Å
13F97.8Very high88.1Confident6 Ų656.5 Ų56.53%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-99149.6178.2-73.6-86.1000112.2N22 S24 W25 V47 V49 V73 L148 T152 F166F13-N22 WeakPolarHBondContact CB-ND2 3.44Å; F13-N22 WeakPolarHBondContact O-CB 3.2Å; F13-N22 PolarHBondContact O-ND2 3.2Å; F13-S24 PolarHBondContact N-OG 3Å; F13-W25 WeakPolarHBondContact O-CB 3.46Å; F13-V47 WeakPolarHBondContact CA-O 3.17Å; F13-V47 HydrophobicContact CD1-CB 3.92Å; F13-V47 HydrophobicContact CD1-CG1 4.05Å; F13-V47 HydrophobicContact CE1-CB 4.05Å; F13-V47 HydrophobicContact CE1-CG1 3.79Å; F13-V49 HydrophobicContact CB-CG2 4.17Å; F13-V49 HydrophobicContact CD1-CG2 4.1Å; F13-V73 VanDerWaalsContact CD2-O 3.26Å; F13-V73 WeakPolarHBondContact CD2-O 3.47Å; F13-L148 HydrophobicContact CE1-CB 4.15Å; F13-T152 HydrophobicContact CZ-CG2 4.26Å; F13-T152 WeakPolarHBondContact CZ-OG1 3.48Å; F13-F166 HydrophobicContact CE2-CE2 4.02Å; F13-F166 AromaticContact CE2-CZ 3.99Å; F13-F166 HydrophobicContact CE2-CZ 3.99Å; F13-F166 HydrophobicContact CZ-CE2 4.49Å
14E94.6Very high90.2Very high49 Ų4950 Ų5023%0.22929%0.29CS..PPolyproline II helixtrans-63.4170.8168.375.6175.1-18000112.1N22 E46 V47 P48 V49 N98E14-N22 PolarHBondContact O-ND2 3.26Å; E14-E46 WeakPolarHBondContact CA-OE1 3.38Å; E14-E46 HydrophobicContact CB-CG 4.07Å; E14-V47 PolarHBondContact N-O 3.16Å; E14-P48 WeakPolarHBondContact OE1-CA 3.18Å; E14-V49 HydrophobicContact CG-CB 4.43Å; E14-V49 HydrophobicContact CG-CG2 3.69Å; E14-V49 PolarHBondContact OE1-N 3.14Å; E14-N98 PolarHBondContact OE1-ND2 3.39Å
15P91.2Very high91.4Very high51 Ų5147.7 Ų47.733%0.33127%0.267SS..PPolyproline II helixtrans-55.4143.6171.2-26.237.5000113.6H19 T20 N98P15-H19 WeakPolarHBondContact CB-O 3.48Å; P15-T20 WeakPolarHBondContact CG-O 3.16Å; P15-N98 PolarHBondContact O-ND2 3.22Å
16F83.3Confident92Very high75 Ų7543.9 Ų43.933%0.32925%0.253SS..  trans-138.8141.2-179.4174.1-102000112A18 H19 V49 N98 Y147F16-A18 PolarHBondContact O-N 3.4Å; F16-H19 WeakPolarHBondContact O-CB 3.34Å; F16-H19 PolarHBondContact O-N 3.34Å; F16-H19 VanDerWaalsContact O-N 3.13Å; F16-V49 HydrophobicContact CB-CB 4.35Å; F16-V49 HydrophobicContact CB-CG1 4.29Å; F16-V49 HydrophobicContact CB-CG2 3.93Å; F16-V49 HydrophobicContact CD2-CB 4Å; F16-V49 HydrophobicContact CD2-CG1 3.55Å; F16-V49 HydrophobicContact CD2-CG2 4.5Å; F16-V49 HydrophobicContact CE2-CG1 4.2Å; F16-V49 HydrophobicContact CG-CG1 4.03Å; F16-N98 WeakPolarHBondContact CD2-OD1 3.46Å; F16-Y147 HydrophobicContact CD2-CE1 4.46Å; F16-Y147 HydrophobicContact CE1-CE1 4.13Å; F16-Y147 HydrophobicContact CE2-CE1 4.13Å; F16-Y147 AromaticContact CE2-CZ 3.83Å; F16-Y147 WeakPolarHBondContact CE2-OH 3.2Å; F16-Y147 AromaticContact CZ-CE1 3.93Å; F16-Y147 HydrophobicContact CZ-CE1 3.93Å; F16-Y147 AromaticContact CZ-CZ 3.77Å; F16-Y147 WeakPolarHBondContact CZ-OH 3.18Å
17G78.4Confident92.3Very high64 Ų6440.5 Ų40.566%0.6624%0.24SC*.THydrogen-bonded Turntrans61.3-125179.700000111.7
18A73.8Confident92.4Very high100 Ų10038.3 Ų38.383%0.82623%0.229SC*.THydrogen-bonded Turntrans-87.7-4.2178.500000113.8F16F16-A18 PolarHBondContact O-N 3.4Å
19H76.6Confident92.4Very high136 Ų13642.2 Ų42.263%0.6325%0.247SC*.  trans-84.1120.1-178.4-60.2-72.2000109.4P15 F16P15-H19 WeakPolarHBondContact CB-O 3.48Å; F16-H19 WeakPolarHBondContact O-CB 3.34Å; F16-H19 PolarHBondContact O-N 3.34Å; F16-H19 VanDerWaalsContact O-N 3.13Å
20T82.3Confident92.4Very high124 Ų12443.9 Ų43.976%0.76126%0.255SS*.SBendtrans-85.8-13175.853.30000113.2P15P15-T20 WeakPolarHBondContact CG-O 3.16Å
21I87.4Confident92.4Very high109 Ų10943.9 Ų43.956%0.55926%0.255SS*.SBendtrans-131129.6178.3-60.6171.8000107.7V26 I172I21-V26 HydrophobicContact CG2-CG2 3.82Å; I21-I172 HydrophobicContact CG2-CD1 3.63Å
22N94.6Very high92.4Very high14 Ų1448.8 Ų48.88%0.07528%0.276CS..  trans-102.5122.1173.6-165.4-40.5000110.4F13 E14 S24 W25 V26 V75F13-N22 WeakPolarHBondContact CB-ND2 3.44Å; F13-N22 WeakPolarHBondContact O-CB 3.2Å; F13-N22 PolarHBondContact O-ND2 3.2Å; E14-N22 PolarHBondContact O-ND2 3.26Å; N22-S24 VanDerWaalsContact CG-OG 3.3Å; N22-S24 PolarHBondContact O-N 3.01Å; N22-S24 WeakPolarHBondContact OD1-CB 3.42Å; N22-S24 PolarHBondContact OD1-N 3.03Å; N22-S24 PolarHBondContact OD1-OG 3.08Å; N22-W25 PolarHBondContact O-N 3.09Å; N22-V26 PolarHBondContact O-N 3.45Å; N22-V75 VanDerWaalsContact OD1-CG1 3.26Å; N22-V75 WeakPolarHBondContact OD1-CG1 3.29Å
23A96Very high92.4Very high4 Ų456 Ų563%0.03331%0.307CS..Hα-helixtrans-60.3-31.2-178.100000113.2A27 V75 V169 P170 I172A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 2.99Å; A23-V75 HydrophobicContact CB-CB 4.1Å; A23-V75 HydrophobicContact CB-CG2 3.71Å; A23-V169 HydrophobicContact CB-CG2 4.15Å; A23-P170 WeakPolarHBondContact CB-O 3.38Å; A23-I172 HydrophobicContact CB-CD1 4.2Å; A23-I172 HydrophobicContact CB-CG1 3.76Å
24S97.6Very high92.4Very high0 Ų059.6 Ų59.60%033%0.327CS..Hα-helixtrans-63.7-46.4177.562.60000112.1F13 N22 A27 V28 V73F13-S24 PolarHBondContact N-OG 3Å; N22-S24 VanDerWaalsContact CG-OG 3.3Å; N22-S24 PolarHBondContact O-N 3.01Å; N22-S24 WeakPolarHBondContact OD1-CB 3.42Å; N22-S24 PolarHBondContact OD1-N 3.03Å; N22-S24 PolarHBondContact OD1-OG 3.08Å; S24-A27 PolarHBondContact O-N 3.25Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.33Å; S24-V73 WeakPolarHBondContact CB-O 3.43Å; S24-V73 PolarHBondContact OG-O 3.47Å
25W98.2Very high92.5Very high43 Ų4358.2 Ų58.216%0.16333%0.325CS..Hα-helixtrans-66.6-41.4-179.7-177.2-135.8000112.3F13 N22 A27 V28 Q29 Y45 E46F13-W25 WeakPolarHBondContact O-CB 3.46Å; N22-W25 PolarHBondContact O-N 3.09Å; W25-A27 PolarHBondContact O-N 3.37Å; W25-V28 HydrophobicContact CE3-CB 4.11Å; W25-V28 HydrophobicContact CE3-CG1 4.02Å; W25-V28 HydrophobicContact CZ3-CB 4.37Å; W25-V28 HydrophobicContact CZ3-CG1 3.78Å; W25-V28 PolarHBondContact O-N 2.62Å; W25-Q29 HydrophobicContact CD2-CG 4.12Å; W25-Q29 HydrophobicContact CZ2-CG 4.1Å; W25-Q29 WeakPolarHBondContact O-CG 3.18Å; W25-Q29 PolarHBondContact O-N 2.75Å; W25-Y45 WeakPolarHBondContact CZ3-O 3.35Å; W25-E46 HydrophobicContact CD2-CB 3.84Å; W25-E46 HydrophobicContact CD2-CG 3.84Å; W25-E46 HydrophobicContact CE3-CB 3.92Å; W25-E46 HydrophobicContact CE3-CG 4.26Å; W25-E46 HydrophobicContact CG-CG 3.98Å; W25-E46 HydrophobicContact CH2-CB 3.89Å; W25-E46 HydrophobicContact CZ2-CB 3.75Å; W25-E46 HydrophobicContact CZ2-CG 4.47Å; W25-E46 HydrophobicContact CZ3-CB 3.97Å; W25-E46 PolarHBondContact NE1-OE1 3.38Å; W25-E46 PolarHBondContact NE1-OE2 3.07Å; W25-E46 VanDerWaalsContact NE1-OE2 3.1Å
26V97.9Very high92.9Very high30 Ų3056.2 Ų56.218%0.18231%0.312CS..Hα-helixtrans-60.5-45.6174.9175.80000111.4I21 N22 V28 Q29 E30 I172I21-V26 HydrophobicContact CG2-CG2 3.82Å; N22-V26 PolarHBondContact O-N 3.45Å; V26-V28 VanDerWaalsContact C-N 3.29Å; V26-V28 PolarHBondContact O-N 3.45Å; V26-Q29 WeakPolarHBondContact O-CB 3.48Å; V26-Q29 PolarHBondContact O-N 2.65Å; V26-E30 WeakPolarHBondContact O-CG 3.39Å; V26-E30 PolarHBondContact O-N 3.13Å; V26-I172 HydrophobicContact CB-CD1 3.69Å; V26-I172 HydrophobicContact CB-CG1 4.41Å; V26-I172 HydrophobicContact CG1-CD1 3.9Å; V26-I172 HydrophobicContact CG1-CG1 4.4Å; V26-I172 HydrophobicContact CG2-CD1 3.56Å
27A98.4Very high93.4Very high0 Ų055.1 Ų55.10%032%0.322CS..Hα-helixtrans-60.7-39.4177.400000112.2A23 S24 W25 E30 L31 L181 L185A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 2.99Å; S24-A27 PolarHBondContact O-N 3.25Å; W25-A27 PolarHBondContact O-N 3.37Å; A27-E30 PolarHBondContact O-N 3.28Å; A27-L31 PolarHBondContact O-N 2.95Å; A27-L181 HydrophobicContact CB-CB 3.65Å; A27-L181 HydrophobicContact CB-CD1 4.38Å; A27-L185 HydrophobicContact CB-CD1 3.71Å
28V98.8Very high94.1Very high0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-68.4-36.7176.6171.10000112V10 S24 W25 V26 L31 K32 V44 V73 L185V10-V28 HydrophobicContact CG1-CG1 4.32Å; V10-V28 HydrophobicContact CG1-CG2 3.81Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.33Å; W25-V28 HydrophobicContact CE3-CB 4.11Å; W25-V28 HydrophobicContact CE3-CG1 4.02Å; W25-V28 HydrophobicContact CZ3-CB 4.37Å; W25-V28 HydrophobicContact CZ3-CG1 3.78Å; W25-V28 PolarHBondContact O-N 2.62Å; V26-V28 VanDerWaalsContact C-N 3.29Å; V26-V28 PolarHBondContact O-N 3.45Å; V28-L31 WeakPolarHBondContact O-CB 3.5Å; V28-L31 PolarHBondContact O-N 3.05Å; V28-K32 PolarHBondContact O-N 3.29Å; V28-V44 HydrophobicContact CG1-CB 3.69Å; V28-V44 HydrophobicContact CG1-CG1 3.69Å; V28-V73 HydrophobicContact CG2-CB 3.95Å; V28-V73 HydrophobicContact CG2-CG2 3.72Å; V28-L185 HydrophobicContact CG2-CD1 4.21Å
29Q98.6Very high95Very high82 Ų8260.8 Ų60.838%0.38331%0.314SS..Hα-helixtrans-64.4-42.3172.9-72.1178.6-37.300111.7W25 V26 K32 K33W25-Q29 HydrophobicContact CD2-CG 4.12Å; W25-Q29 HydrophobicContact CZ2-CG 4.1Å; W25-Q29 WeakPolarHBondContact O-CG 3.18Å; W25-Q29 PolarHBondContact O-N 2.75Å; V26-Q29 WeakPolarHBondContact O-CB 3.48Å; V26-Q29 PolarHBondContact O-N 2.65Å; Q29-K32 WeakPolarHBondContact O-CB 3.37Å; Q29-K32 PolarHBondContact O-N 2.96Å; Q29-K33 PolarHBondContact O-N 3.1Å
30E98.6Very high96Very high35 Ų3554.9 Ų54.916%0.16429%0.288CS..Hα-helixtrans-64.4-42.1174.2-64.8-50.9144.500111.7V26 A27 K32 K33 L34 G178V26-E30 WeakPolarHBondContact O-CG 3.39Å; V26-E30 PolarHBondContact O-N 3.13Å; A27-E30 PolarHBondContact O-N 3.28Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.08Å; E30-K33 WeakPolarHBondContact O-CB 3.4Å; E30-K33 PolarHBondContact O-N 3.19Å; E30-K33 IonicContact OE1-NZ 3.97Å; E30-K33 PolarHBondContact OE1-NZ 2.93Å; E30-K33 WeakPolarHBondContact OE2-CD 3.4Å; E30-K33 IonicContact OE2-NZ 3.85Å; E30-K33 PolarHBondContact OE2-NZ 3.41Å; E30-L34 WeakPolarHBondContact O-CG 3.27Å; E30-L34 PolarHBondContact O-N 3.24Å; E30-L34 VanDerWaalsContact O-N 3.14Å; E30-G178 WeakPolarHBondContact CG-O 3.44Å
31L98.8Very high96.7Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-56.9-42.5172.1175.566.4000111.7V10 A27 V28 K33 L34 G35 L36 L42 L185 Q186 I189V10-L31 HydrophobicContact CB-CD2 4.15Å; V10-L31 HydrophobicContact CG1-CD2 3.91Å; V10-L31 HydrophobicContact CG2-CD2 3.89Å; A27-L31 PolarHBondContact O-N 2.95Å; V28-L31 WeakPolarHBondContact O-CB 3.5Å; V28-L31 PolarHBondContact O-N 3.05Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 3.47Å; L31-L34 PolarHBondContact O-N 2.66Å; L31-L34 VanDerWaalsContact O-N 3.13Å; L31-G35 PolarHBondContact O-N 3Å; L31-L36 HydrophobicContact CD1-CD2 4.09Å; L31-L42 HydrophobicContact CD2-CD2 4.39Å; L31-L42 HydrophobicContact CG-CD2 4Å; L31-L185 HydrophobicContact CB-CB 4.47Å; L31-L185 HydrophobicContact CD1-CB 4.36Å; L31-L185 HydrophobicContact CD2-CB 4.12Å; L31-Q186 HydrophobicContact CD1-CB 3.67Å; L31-Q186 HydrophobicContact CD1-CG 4.32Å; L31-I189 HydrophobicContact CD2-CD1 3.56Å
32K98.6Very high97.2Very high103 Ų10347.4 Ų47.445%0.44824%0.244SC..Hα-helixtrans-61.4-36.3179.5-177.556.5173.41770112.2V28 Q29 E30 L42 V44V28-K32 PolarHBondContact O-N 3.29Å; Q29-K32 WeakPolarHBondContact O-CB 3.37Å; Q29-K32 PolarHBondContact O-N 2.96Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.08Å; K32-L42 HydrophobicContact CD-CD2 4.27Å; K32-L42 HydrophobicContact CD-CG 4.39Å; K32-L42 PolarHBondContact NZ-O 2.93Å; K32-V44 HydrophobicContact CB-CG1 4.11Å; K32-V44 HydrophobicContact CB-CG2 3.98Å; K32-V44 HydrophobicContact CD-CG1 4.16Å; K32-V44 HydrophobicContact CD-CG2 3.9Å; K32-V44 HydrophobicContact CG-CG1 4.48Å; K32-V44 HydrophobicContact CG-CG2 3.8Å
33K98.4Very high97.4Very high151 Ų15148 Ų4866%0.65725%0.247SC*.Hα-helixtrans-67.3-39.3174.7-62.3172.6-164.7166.30111.7Q29 E30 L31Q29-K33 PolarHBondContact O-N 3.1Å; E30-K33 WeakPolarHBondContact O-CB 3.4Å; E30-K33 PolarHBondContact O-N 3.19Å; E30-K33 IonicContact OE1-NZ 3.97Å; E30-K33 PolarHBondContact OE1-NZ 2.93Å; E30-K33 WeakPolarHBondContact OE2-CD 3.4Å; E30-K33 IonicContact OE2-NZ 3.85Å; E30-K33 PolarHBondContact OE2-NZ 3.41Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 3.47Å
34L97.9Very high97.5Very high82 Ų8249.4 Ų49.443%0.42926%0.255SS..Hα-helixtrans-73.9-36.9-179.7-66170.7000112.9E30 L31 R183E30-L34 WeakPolarHBondContact O-CG 3.27Å; E30-L34 PolarHBondContact O-N 3.24Å; E30-L34 VanDerWaalsContact O-N 3.14Å; L31-L34 PolarHBondContact O-N 2.66Å; L31-L34 VanDerWaalsContact O-N 3.13Å; L34-R183 HydrophobicContact CD1-CG 3.96Å
35G98.1Very high97.6Very high20 Ų2052.6 Ų52.621%0.20627%0.267CS..  trans71.6-177-172.800000113.5L31 Q186L31-G35 PolarHBondContact O-N 3Å; G35-Q186 PolarHBondContact O-NE2 2.98Å
36L97.8Very high97.6Very high9 Ų954.3 Ų54.35%0.04728%0.277CS..SBendtrans-119.47.6179.6-72.4170.7000113.7V8 L31 V40 L42 Q186 I189 Q190V8-L36 HydrophobicContact CB-CD1 4.19Å; V8-L36 HydrophobicContact CG1-CD1 3.96Å; L31-L36 HydrophobicContact CD1-CD2 4.09Å; L36-V40 HydrophobicContact CB-CB 3.88Å; L36-V40 HydrophobicContact CB-CG1 3.75Å; L36-V40 HydrophobicContact CB-CG2 4.24Å; L36-V40 HydrophobicContact CD1-CG1 3.84Å; L36-V40 HydrophobicContact CG-CG1 4.46Å; L36-L42 HydrophobicContact CD1-CB 4.42Å; L36-L42 HydrophobicContact CD1-CD1 3.92Å; L36-L42 HydrophobicContact CD1-CD2 4.44Å; L36-L42 HydrophobicContact CD1-CG 4.47Å; L36-L42 HydrophobicContact CG-CD2 4.36Å; L36-Q186 HydrophobicContact CD2-CG 4.17Å; L36-I189 HydrophobicContact CD1-CG2 3.62Å; L36-I189 HydrophobicContact CD2-CB 3.91Å; L36-I189 HydrophobicContact CD2-CG2 3.82Å; L36-I189 HydrophobicContact CG-CG2 4.41Å; L36-Q190 HydrophobicContact CD2-CG 3.96Å; L36-Q190 PolarHBondContact O-NE2 3.36Å; L36-Q190 VanDerWaalsContact O-NE2 3.1Å
37G94.6Very high97.6Very high52 Ų5253 Ų5354%0.53627%0.269SS..  trans113173.2-172.400000112.2D39G37-D39 VanDerWaalsContact C-N 3.33Å; G37-D39 PolarHBondContact O-N 2.95Å
38K92.3Very high97.5Very high183 Ų18354.8 Ų54.880%0.79628%0.28SS*.THydrogen-bonded Turntrans-74.3-24.3-174-66-177.5-179.3177.80113.6K5K5-K38 WeakPolarHBondContact CE-O 3.34Å; K5-K38 PolarHBondContact NZ-O 3.26Å
39D93.9Very high97.4Very high99 Ų9955 Ų5553%0.52928%0.282SS..THydrogen-bonded Turntrans-94.14.8-173.9-48.4-44.6000113.1R6 G37R6-D39 PolarHBondContact N-O 3.48Å; G37-D39 VanDerWaalsContact C-N 3.33Å; G37-D39 PolarHBondContact O-N 2.95Å
40V96.9Very high97.3Very high13 Ų1353.5 Ų53.58%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-120.1127.9178.6179.20000109R6 V8 L36 L193R6-V40 CarbonylContact O-C 3.56Å; R6-V40 WeakPolarHBondContact O-CA 3.29Å; V8-V40 HydrophobicContact CB-CG1 3.94Å; V8-V40 HydrophobicContact CG2-CG1 3.63Å; L36-V40 HydrophobicContact CB-CB 3.88Å; L36-V40 HydrophobicContact CB-CG1 3.75Å; L36-V40 HydrophobicContact CB-CG2 4.24Å; L36-V40 HydrophobicContact CD1-CG1 3.84Å; L36-V40 HydrophobicContact CG-CG1 4.46Å; V40-L193 HydrophobicContact CG2-CD1 3.89Å
41D97.5Very high97.3Very high67 Ų6751.9 Ų51.936%0.35827%0.267SS..EExtended strand (participates in β ladder)trans-94.8108166.6-166.117.9000109.2K5 R6 V8 H43K5-D41 HydrophobicContact CB-CB 4.31Å; R6-D41 PolarHBondContact O-N 3.5Å; V8-D41 PolarHBondContact N-O 3.26Å; D41-H43 PolarHBondContact O-CD2 3.19Å; D41-H43 IonicContact OD1-CE1 2.66Å; D41-H43 IonicContact OD1-NE2 3.71Å; D41-H43 IonicContact OD2-CE1 2.65Å; D41-H43 PolarHBondContact OD2-CE1 3.04Å; D41-H43 IonicContact OD2-NE2 3.7Å; D41-H43 PolarHBondContact OD2-NE2 3.07Å; D41-H43 VanDerWaalsContact OD2-NE2 3.1Å
42L98.4Very high97.2Very high8 Ų857.3 Ų57.34%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-93.3114.4-175.3171.861.6000110.4V10 L31 K32 L36 V44V10-L42 HydrophobicContact CB-CD1 4.15Å; V10-L42 HydrophobicContact CG2-CD1 3.51Å; L31-L42 HydrophobicContact CD2-CD2 4.39Å; L31-L42 HydrophobicContact CG-CD2 4Å; K32-L42 HydrophobicContact CD-CD2 4.27Å; K32-L42 HydrophobicContact CD-CG 4.39Å; K32-L42 PolarHBondContact NZ-O 2.93Å; L36-L42 HydrophobicContact CD1-CB 4.42Å; L36-L42 HydrophobicContact CD1-CD1 3.92Å; L36-L42 HydrophobicContact CD1-CD2 4.44Å; L36-L42 HydrophobicContact CD1-CG 4.47Å; L36-L42 HydrophobicContact CG-CD2 4.36Å; L42-V44 HydrophobicContact CD1-CG1 4Å; L42-V44 HydrophobicContact CD2-CG1 4.34Å; L42-V44 HydrophobicContact CG-CG1 4.01Å
43H98.6Very high97.1Very high28 Ų2853.4 Ų53.413%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-102.5130.8173.6-55.7-73000109.4N7 V8 V9 V10 D41 Y45 Y65N7-H43 PolarHBondContact OD1-NE2 2.98Å; N7-H43 VanDerWaalsContact OD1-NE2 3.1Å; V8-H43 PolarHBondContact O-N 2.8Å; V9-H43 CarbonylContact C-O 3.5Å; V9-H43 WeakPolarHBondContact CA-O 3.37Å; V9-H43 HydrophobicContact CG2-CB 4.18Å; V10-H43 PolarHBondContact N-O 3.2Å; D41-H43 PolarHBondContact O-CD2 3.19Å; D41-H43 IonicContact OD1-CE1 2.66Å; D41-H43 IonicContact OD1-NE2 3.71Å; D41-H43 IonicContact OD2-CE1 2.65Å; D41-H43 PolarHBondContact OD2-CE1 3.04Å; D41-H43 IonicContact OD2-NE2 3.7Å; D41-H43 PolarHBondContact OD2-NE2 3.07Å; D41-H43 VanDerWaalsContact OD2-NE2 3.1Å; H43-Y45 HydrophobicContact CB-CE2 4.21Å; H43-Y65 HydrophobicContact CB-CE1 4.34Å; H43-Y65 HydrophobicContact CB-CE2 4.33Å; H43-Y65 AromaticContact CD2-CD1 3.54Å; H43-Y65 AromaticContact CD2-CE1 3.8Å; H43-Y65 AromaticContact CD2-CG 3.99Å; H43-Y65 AromaticContact CE1-CD1 3.69Å; H43-Y65 AromaticContact CE1-CE1 3.38Å; H43-Y65 WeakPolarHBondContact CE1-CE1 3.35Å; H43-Y65 AromaticContact CG-CD1 3.72Å; H43-Y65 AromaticContact CG-CE1 3.51Å; H43-Y65 AromaticContact CG-CZ 3.79Å; H43-Y65 AromaticContact ND1-CD1 3.83Å; H43-Y65 AromaticContact ND1-CE1 3.24Å; H43-Y65 WeakPolarHBondContact ND1-CE1 3.47Å; H43-Y65 AromaticContact ND1-CZ 3.68Å; H43-Y65 AromaticContact NE2-CD1 3.5Å; H43-Y65 AromaticContact NE2-CE1 3.71Å
44V98.6Very high97Very high33 Ų3346.2 Ų46.220%0.225%0.249CC..EExtended strand (participates in β ladder)trans-123.5140.7179.8-60.90000112.2V10 V28 K32 L42V10-V44 HydrophobicContact CB-CG1 4.36Å; V10-V44 WeakPolarHBondContact O-CA 3.4Å; V28-V44 HydrophobicContact CG1-CB 3.69Å; V28-V44 HydrophobicContact CG1-CG1 3.69Å; K32-V44 HydrophobicContact CB-CG1 4.11Å; K32-V44 HydrophobicContact CB-CG2 3.98Å; K32-V44 HydrophobicContact CD-CG1 4.16Å; K32-V44 HydrophobicContact CD-CG2 3.9Å; K32-V44 HydrophobicContact CG-CG1 4.48Å; K32-V44 HydrophobicContact CG-CG2 3.8Å; L42-V44 HydrophobicContact CD1-CG1 4Å; L42-V44 HydrophobicContact CD2-CG1 4.34Å; L42-V44 HydrophobicContact CG-CG1 4.01Å
45Y98.4Very high96.9Very high67 Ų6746.5 Ų46.526%0.26325%0.248SC..EExtended strand (participates in β ladder)trans-139.5138.5-176.5-76.2-91.5000112.1V9 V10 T11 G12 W25 H43 L61 Y65V9-Y45 HydrophobicContact CG1-CD2 4.23Å; V10-Y45 PolarHBondContact O-N 3.29Å; V10-Y45 VanDerWaalsContact O-N 3.17Å; T11-Y45 CarbonylContact C-O 3.54Å; T11-Y45 WeakPolarHBondContact CA-O 3.34Å; T11-Y45 WeakPolarHBondContact CB-O 3.5Å; G12-Y45 PolarHBondContact N-O 3.3Å; W25-Y45 WeakPolarHBondContact CZ3-O 3.35Å; H43-Y45 HydrophobicContact CB-CE2 4.21Å; Y45-L61 HydrophobicContact CD1-CD2 4.14Å; Y45-L61 HydrophobicContact CD2-CD2 3.43Å; Y45-L61 VanDerWaalsContact CD2-CD2 3.43Å; Y45-L61 HydrophobicContact CE1-CD2 4.11Å; Y45-L61 HydrophobicContact CE2-CD2 3.4Å; Y45-L61 HydrophobicContact CG-CD2 3.82Å; Y45-Y65 AromaticContact CE2-CE2 3.64Å; Y45-Y65 HydrophobicContact CE2-CE2 3.64Å; Y45-Y65 AromaticContact CZ-CE2 3.92Å; Y45-Y65 WeakPolarHBondContact OH-CE2 3.36Å; Y45-Y65 PolarHBondContact OH-OH 3.39Å
46E98.2Very high96.9Very high79 Ų7949.6 Ų49.637%0.36927%0.266SS..EExtended strand (participates in β ladder)trans-87.6128.1166.9-165.4169.2-15900108.5G12 E14 W25G12-E46 CarbonylContact O-C 3.58Å; G12-E46 WeakPolarHBondContact O-CA 3.24Å; E14-E46 WeakPolarHBondContact CA-OE1 3.38Å; E14-E46 HydrophobicContact CB-CG 4.07Å; W25-E46 HydrophobicContact CD2-CB 3.84Å; W25-E46 HydrophobicContact CD2-CG 3.84Å; W25-E46 HydrophobicContact CE3-CB 3.92Å; W25-E46 HydrophobicContact CE3-CG 4.26Å; W25-E46 HydrophobicContact CG-CG 3.98Å; W25-E46 HydrophobicContact CH2-CB 3.89Å; W25-E46 HydrophobicContact CZ2-CB 3.75Å; W25-E46 HydrophobicContact CZ2-CG 4.47Å; W25-E46 HydrophobicContact CZ3-CB 3.97Å; W25-E46 PolarHBondContact NE1-OE1 3.38Å; W25-E46 PolarHBondContact NE1-OE2 3.07Å; W25-E46 VanDerWaalsContact NE1-OE2 3.1Å
47V97.6Very high96.9Very high1 Ų150.9 Ų50.91%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-102.9126.4-176-175.70000108.6T11 G12 F13 E14 V54 L57T11-V47 HydrophobicContact CG2-CG2 4.12Å; G12-V47 PolarHBondContact O-N 3.24Å; F13-V47 WeakPolarHBondContact CA-O 3.17Å; F13-V47 HydrophobicContact CD1-CB 3.92Å; F13-V47 HydrophobicContact CD1-CG1 4.05Å; F13-V47 HydrophobicContact CE1-CB 4.05Å; F13-V47 HydrophobicContact CE1-CG1 3.79Å; E14-V47 PolarHBondContact N-O 3.16Å; V47-V54 HydrophobicContact CG1-CG2 3.78Å; V47-L57 HydrophobicContact CB-CD2 4.3Å; V47-L57 HydrophobicContact CG1-CD2 4.15Å; V47-L57 HydrophobicContact CG2-CD2 3.88Å
48P96.7Very high97.1Very high38 Ų3848.4 Ų48.425%0.24725%0.247CC..PPolyproline II helixtrans-59.9144.2171.2-23.834.2000111.5E14 E50 A53E14-P48 WeakPolarHBondContact OE1-CA 3.18Å; P48-E50 HydrophobicContact CB-CB 4.36Å; P48-E50 HydrophobicContact CB-CG 4.3Å; P48-E50 PolarHBondContact O-N 3.07Å; P48-A53 HydrophobicContact CB-CB 3.82Å; P48-A53 HydrophobicContact CG-CB 3.93Å
49V96.4Very high97.3Very high5 Ų542 Ų423%0.0323%0.225CC..SBendtrans-82.864.1175.6-167.60000108.6F13 E14 F16 D97 N98 Y147 L148F13-V49 HydrophobicContact CB-CG2 4.17Å; F13-V49 HydrophobicContact CD1-CG2 4.1Å; E14-V49 HydrophobicContact CG-CB 4.43Å; E14-V49 HydrophobicContact CG-CG2 3.69Å; E14-V49 PolarHBondContact OE1-N 3.14Å; F16-V49 HydrophobicContact CB-CB 4.35Å; F16-V49 HydrophobicContact CB-CG1 4.29Å; F16-V49 HydrophobicContact CB-CG2 3.93Å; F16-V49 HydrophobicContact CD2-CB 4Å; F16-V49 HydrophobicContact CD2-CG1 3.55Å; F16-V49 HydrophobicContact CD2-CG2 4.5Å; F16-V49 HydrophobicContact CE2-CG1 4.2Å; F16-V49 HydrophobicContact CG-CG1 4.03Å; V49-D97 WeakPolarHBondContact O-CB 3.17Å; V49-N98 WeakPolarHBondContact O-CB 3.33Å; V49-N98 PolarHBondContact O-N 3.42Å; V49-Y147 HydrophobicContact CG1-CE1 3.73Å; V49-L148 HydrophobicContact CG1-CB 4.02Å; V49-L148 HydrophobicContact CG1-CD2 4.46Å; V49-L148 HydrophobicContact CG1-CG 3.83Å
50E97.4Very high97.5Very high51 Ų5139.6 Ų39.624%0.23822%0.215CC..  trans-144.3129.7-175-61.9-173165.600111.2P48 Q52 A53 V54 D97 N98 S99P48-E50 HydrophobicContact CB-CB 4.36Å; P48-E50 HydrophobicContact CB-CG 4.3Å; P48-E50 PolarHBondContact O-N 3.07Å; E50-Q52 PolarHBondContact O-N 3.42Å; E50-A53 HydrophobicContact CB-CB 3.89Å; E50-A53 PolarHBondContact O-N 3.17Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3.33Å; E50-V54 VanDerWaalsContact O-N 3.11Å; E50-D97 WeakPolarHBondContact CA-OD2 3.29Å; E50-N98 HydrophobicContact CG-CB 4.16Å; E50-S99 VanDerWaalsContact CD-OG 3.31Å; E50-S99 PolarHBondContact OE1-OG 3.36Å
51Y97.4Very high97.6Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-64.4-41.5-173.8-69.1-82.6000111.8A53 V54 Q55 Y93 G95 D97 F101 P103 Y147 L148 F151Y51-A53 VanDerWaalsContact C-N 3.33Å; Y51-A53 PolarHBondContact O-N 2.9Å; Y51-V54 PolarHBondContact O-N 3.06Å; Y51-Q55 WeakPolarHBondContact O-CG 3.35Å; Y51-Q55 PolarHBondContact O-N 2.93Å; Y51-Y93 HydrophobicContact CE1-CD1 4.15Å; Y51-Y93 HydrophobicContact CE1-CG 4.38Å; Y51-G95 WeakPolarHBondContact CE2-O 3.34Å; Y51-G95 PolarHBondContact OH-O 3.1Å; Y51-D97 HydrophobicContact CD2-CB 3.73Å; Y51-D97 WeakPolarHBondContact CD2-OD2 3.34Å; Y51-D97 HydrophobicContact CE2-CB 3.9Å; Y51-D97 PolarHBondContact N-OD2 3.24Å; Y51-F101 AromaticContact CD2-CD1 3.96Å; Y51-F101 HydrophobicContact CD2-CD1 3.96Å; Y51-F101 HydrophobicContact CD2-CE1 4.37Å; Y51-F101 HydrophobicContact CG-CD1 4.37Å; Y51-F101 HydrophobicContact CG-CE1 4.42Å; Y51-P103 HydrophobicContact CD1-CG 3.93Å; Y51-P103 HydrophobicContact CD2-CG 4.42Å; Y51-P103 HydrophobicContact CE1-CG 4.25Å; Y51-P103 HydrophobicContact CG-CG 4.02Å; Y51-Y147 HydrophobicContact CE2-CE2 4.47Å; Y51-Y147 WeakPolarHBondContact OH-CD2 3.36Å; Y51-L148 HydrophobicContact CD1-CD1 4.09Å; Y51-L148 HydrophobicContact CD1-CD2 3.85Å; Y51-L148 HydrophobicContact CD2-CD2 3.86Å; Y51-L148 HydrophobicContact CE1-CD1 4.48Å; Y51-L148 HydrophobicContact CE1-CD2 3.54Å; Y51-L148 HydrophobicContact CE2-CD2 3.54Å; Y51-L148 HydrophobicContact CG-CD1 4.27Å; Y51-L148 HydrophobicContact CG-CD2 4.01Å; Y51-F151 HydrophobicContact CD1-CB 4.16Å; Y51-F151 AromaticContact CD1-CD1 3.81Å; Y51-F151 HydrophobicContact CD1-CD1 3.81Å; Y51-F151 AromaticContact CD1-CD2 3.45Å; Y51-F151 HydrophobicContact CD1-CD2 3.45Å; Y51-F151 VanDerWaalsContact CD1-CD2 3.45Å; Y51-F151 HydrophobicContact CD1-CE1 4Å; Y51-F151 AromaticContact CD1-CE2 3.61Å; Y51-F151 HydrophobicContact CD1-CE2 3.61Å; Y51-F151 AromaticContact CD1-CG 3.54Å; Y51-F151 HydrophobicContact CD1-CG 3.54Å; Y51-F151 AromaticContact CD1-CZ 3.91Å; Y51-F151 HydrophobicContact CD1-CZ 3.91Å; Y51-F151 HydrophobicContact CE1-CB 4.01Å; Y51-F151 HydrophobicContact CE1-CD1 4.49Å; Y51-F151 AromaticContact CE1-CD2 3.61Å; Y51-F151 HydrophobicContact CE1-CD2 3.61Å; Y51-F151 HydrophobicContact CE1-CE2 4.14Å; Y51-F151 AromaticContact CE1-CG 3.8Å; Y51-F151 HydrophobicContact CE1-CG 3.8Å
52Q96.6Very high97.5Very high114 Ų11437.3 Ų37.353%0.53320%0.2SC..Hα-helixtrans-67.6-35.2-179.6-65.4-175.5-40.600112.1E50 Q55 S56 F101E50-Q52 PolarHBondContact O-N 3.42Å; Q52-Q55 PolarHBondContact O-N 3.1Å; Q52-S56 PolarHBondContact O-N 2.89Å; Q52-S56 PolarHBondContact O-OG 2.73Å; Q52-S56 VanDerWaalsContact O-OG 3.05Å; Q52-F101 HydrophobicContact CG-CD1 4.28Å; Q52-F101 HydrophobicContact CG-CE1 4.07Å; Q52-F101 HydrophobicContact CG-CZ 4.42Å
53A97.1Very high97.4Very high22 Ų2245 Ų4518%0.18223%0.233CC..Hα-helixtrans-64-45.2174.200000110.8P48 E50 Y51 Q55 S56 L57P48-A53 HydrophobicContact CB-CB 3.82Å; P48-A53 HydrophobicContact CG-CB 3.93Å; E50-A53 HydrophobicContact CB-CB 3.89Å; E50-A53 PolarHBondContact O-N 3.17Å; Y51-A53 VanDerWaalsContact C-N 3.33Å; Y51-A53 PolarHBondContact O-N 2.9Å; A53-Q55 PolarHBondContact O-N 2.56Å; A53-S56 PolarHBondContact O-N 3.46Å; A53-S56 VanDerWaalsContact O-N 3.14Å; A53-L57 VanDerWaalsContact O-CB 3.24Å; A53-L57 WeakPolarHBondContact O-CB 3.09Å; A53-L57 PolarHBondContact O-N 2.92Å
54V97.4Very high97.3Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-60-45.5176171.30000111.9V47 E50 Y51 S56 L57 V58 L148 F151 T152V47-V54 HydrophobicContact CG1-CG2 3.78Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3.33Å; E50-V54 VanDerWaalsContact O-N 3.11Å; Y51-V54 PolarHBondContact O-N 3.06Å; V54-S56 PolarHBondContact O-N 3.03Å; V54-S56 VanDerWaalsContact O-N 3.16Å; V54-L57 PolarHBondContact O-N 3.16Å; V54-V58 HydrophobicContact CG1-CG2 3.88Å; V54-V58 PolarHBondContact O-N 3.18Å; V54-L148 HydrophobicContact CG2-CD1 3.68Å; V54-F151 HydrophobicContact CB-CD1 4.29Å; V54-F151 HydrophobicContact CB-CE1 4.36Å; V54-F151 HydrophobicContact CG1-CD1 3.82Å; V54-F151 HydrophobicContact CG1-CE1 4.06Å; V54-T152 HydrophobicContact CG1-CG2 4.21Å; V54-T152 WeakPolarHBondContact CG1-OG1 3.4Å; V54-T152 VanDerWaalsContact CG2-OG1 3.29Å; V54-T152 WeakPolarHBondContact CG2-OG1 3.48Å
55Q96Very high97.2Very high88 Ų8849.2 Ų49.241%0.41125%0.25SS..Hα-helixtrans-60.1-24.6177.9-73.7179.7-38.800113.2Y51 Q52 A53 P59 F151Y51-Q55 WeakPolarHBondContact O-CG 3.35Å; Y51-Q55 PolarHBondContact O-N 2.93Å; Q52-Q55 PolarHBondContact O-N 3.1Å; A53-Q55 PolarHBondContact O-N 2.56Å; Q55-P59 VanDerWaalsContact O-CD 3.31Å; Q55-P59 WeakPolarHBondContact O-CD 3.34Å; Q55-P59 VanDerWaalsContact O-CG 3.24Å; Q55-P59 WeakPolarHBondContact O-CG 3.49Å; Q55-F151 HydrophobicContact CG-CE1 3.84Å; Q55-F151 HydrophobicContact CG-CZ 3.92Å
56S97.3Very high97.1Very high85 Ų8553.2 Ų53.259%0.59427%0.271SS*.Hα-helixtrans-94.6-43.3178.6-55.80000112.4Q52 A53 V54 S60Q52-S56 PolarHBondContact O-N 2.89Å; Q52-S56 PolarHBondContact O-OG 2.73Å; Q52-S56 VanDerWaalsContact O-OG 3.05Å; A53-S56 PolarHBondContact O-N 3.46Å; A53-S56 VanDerWaalsContact O-N 3.14Å; V54-S56 PolarHBondContact O-N 3.03Å; V54-S56 VanDerWaalsContact O-N 3.16Å; S56-S60 PolarHBondContact O-N 3.42Å
57L98.1Very high97Very high35 Ų3549.7 Ų49.718%0.18326%0.255CS..Hα-helixtrans-73.2-46.8-173.8-179.863.7000112.3V47 A53 V54 S60 L61V47-L57 HydrophobicContact CB-CD2 4.3Å; V47-L57 HydrophobicContact CG1-CD2 4.15Å; V47-L57 HydrophobicContact CG2-CD2 3.88Å; A53-L57 VanDerWaalsContact O-CB 3.24Å; A53-L57 WeakPolarHBondContact O-CB 3.09Å; A53-L57 PolarHBondContact O-N 2.92Å; V54-L57 PolarHBondContact O-N 3.16Å; L57-S60 PolarHBondContact O-N 3.35Å; L57-S60 VanDerWaalsContact O-N 3.14Å; L57-S60 PolarHBondContact O-OG 2.93Å; L57-L61 HydrophobicContact CD1-CD1 4.19Å; L57-L61 HydrophobicContact CD1-CD2 4.3Å; L57-L61 HydrophobicContact CD1-CG 4.07Å; L57-L61 HydrophobicContact CG-CD1 3.92Å; L57-L61 HydrophobicContact CG-CG 4.25Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.43Å
58V97.7Very high96.9Very high1 Ų151.1 Ų51.11%0.00626%0.261CS..Hα-helixtrans-61.1-48.5-175.2176.40000111.5V54 S60 L61 W62 T152 T155 L159V54-V58 HydrophobicContact CG1-CG2 3.88Å; V54-V58 PolarHBondContact O-N 3.18Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 3.37Å; V58-L61 PolarHBondContact O-N 3.29Å; V58-W62 VanDerWaalsContact O-CD1 3.26Å; V58-W62 PolarHBondContact O-N 2.91Å; V58-T152 HydrophobicContact CG2-CG2 4.01Å; V58-T155 HydrophobicContact CB-CG2 4.14Å; V58-T155 HydrophobicContact CG1-CG2 4.13Å; V58-L159 HydrophobicContact CG1-CD1 4.11Å
59P97.7Very high96.9Very high49 Ų4949.3 Ų49.332%0.31825%0.25SC..Hα-helixtrans-60.1-36.6174.6-2231.6000113.8Q55 W62 K63 L159Q55-P59 VanDerWaalsContact O-CD 3.31Å; Q55-P59 WeakPolarHBondContact O-CD 3.34Å; Q55-P59 VanDerWaalsContact O-CG 3.24Å; Q55-P59 WeakPolarHBondContact O-CG 3.49Å; P59-W62 PolarHBondContact O-N 3.3Å; P59-K63 WeakPolarHBondContact O-CB 3.28Å; P59-K63 PolarHBondContact O-N 3.34Å; P59-L159 HydrophobicContact CB-CD1 4.21Å; P59-L159 HydrophobicContact CG-CD1 3.74Å
60S98.2Very high97Very high48 Ų4849.1 Ų49.134%0.33625%0.248SC..Hα-helixtrans-68.2-38.4-17976.50000111.7S56 L57 V58 K63 Q64S56-S60 PolarHBondContact O-N 3.42Å; L57-S60 PolarHBondContact O-N 3.35Å; L57-S60 VanDerWaalsContact O-N 3.14Å; L57-S60 PolarHBondContact O-OG 2.93Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 3.37Å; S60-K63 PolarHBondContact O-N 2.92Å; S60-Q64 WeakPolarHBondContact O-CB 3.22Å; S60-Q64 PolarHBondContact O-N 2.96Å
61L97.5Very high97.1Very high2 Ų246.7 Ų46.71%0.0124%0.237CC..Hα-helixtrans-61.2-45.5174.6-66.7171.9000111.6V9 T11 Y45 L57 V58 Y65V9-L61 HydrophobicContact CG1-CB 4.49Å; V9-L61 HydrophobicContact CG1-CD1 4.05Å; V9-L61 HydrophobicContact CG1-CD2 4.24Å; V9-L61 HydrophobicContact CG1-CG 4.49Å; T11-L61 HydrophobicContact CG2-CD1 4.03Å; Y45-L61 HydrophobicContact CD1-CD2 4.14Å; Y45-L61 HydrophobicContact CD2-CD2 3.43Å; Y45-L61 VanDerWaalsContact CD2-CD2 3.43Å; Y45-L61 HydrophobicContact CE1-CD2 4.11Å; Y45-L61 HydrophobicContact CE2-CD2 3.4Å; Y45-L61 HydrophobicContact CG-CD2 3.82Å; L57-L61 HydrophobicContact CD1-CD1 4.19Å; L57-L61 HydrophobicContact CD1-CD2 4.3Å; L57-L61 HydrophobicContact CD1-CG 4.07Å; L57-L61 HydrophobicContact CG-CD1 3.92Å; L57-L61 HydrophobicContact CG-CG 4.25Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.43Å; V58-L61 PolarHBondContact O-N 3.29Å; L61-Y65 HydrophobicContact CD2-CD2 4.3Å; L61-Y65 HydrophobicContact CD2-CE2 4.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.14Å; L61-Y65 PolarHBondContact O-N 3.44Å; L61-Y65 VanDerWaalsContact O-N 3.1Å
62W96.6Very high97.2Very high29 Ų2946.7 Ų46.711%0.1124%0.237CC..Hα-helixtrans-61.7-45.2175.6-81.3103.2000112.1V58 P59 H66 P67 V70 S156 R163 S164V58-W62 VanDerWaalsContact O-CD1 3.26Å; V58-W62 PolarHBondContact O-N 2.91Å; P59-W62 PolarHBondContact O-N 3.3Å; W62-H66 WeakPolarHBondContact O-CA 3.16Å; W62-H66 PolarHBondContact O-N 3.24Å; W62-P67 HydrophobicContact CD2-CG 4.08Å; W62-P67 HydrophobicContact CE3-CG 3.67Å; W62-P67 HydrophobicContact CH2-CG 4.23Å; W62-P67 HydrophobicContact CZ3-CG 3.77Å; W62-P67 VanDerWaalsContact CZ3-O 3.29Å; W62-P67 WeakPolarHBondContact CZ3-O 3.2Å; W62-V70 HydrophobicContact CD2-CG2 4.02Å; W62-V70 HydrophobicContact CH2-CB 4.44Å; W62-V70 HydrophobicContact CH2-CG2 3.81Å; W62-V70 HydrophobicContact CZ2-CB 3.66Å; W62-V70 HydrophobicContact CZ2-CG2 3.23Å; W62-V70 HydrophobicContact CZ3-CG2 4.43Å; W62-S156 PolarHBondContact NE1-OG 2.86Å; W62-R163 HydrophobicContact CH2-CB 4.09Å; W62-R163 VanDerWaalsContact CH2-O 3.25Å; W62-R163 WeakPolarHBondContact CH2-O 3.44Å; W62-R163 WeakPolarHBondContact CZ2-O 3.28Å; W62-S164 WeakPolarHBondContact CZ2-OG 3.46Å
63K96.4Very high97.3Very high169 Ų16941.3 Ų41.374%0.73521%0.212SC*.Hα-helixtrans-68.3-38.4179.7-176.4179.8179.2-178.80113.2P59 S60 H66P59-K63 WeakPolarHBondContact O-CB 3.28Å; P59-K63 PolarHBondContact O-N 3.34Å; S60-K63 PolarHBondContact O-N 2.92Å; K63-H66 PolarHBondContact O-CE1 3.28Å; K63-H66 PolarHBondContact O-ND1 3.45Å
64Q96.6Very high97.3Very high115 Ų11540.2 Ų40.254%0.53720%0.203SC..Hα-helixtrans-74.6-47.3-175.7178.8175.9-10.200111.3S60S60-Q64 WeakPolarHBondContact O-CB 3.22Å; S60-Q64 PolarHBondContact O-N 2.96Å
65Y96.6Very high97.2Very high36 Ų3642.5 Ų42.514%0.14122%0.217CC..Hα-helixtrans-100.5-15.7-168.7-65.3-67.7000114.3N7 V9 H43 Y45 L61N7-Y65 WeakPolarHBondContact CB-O 3.38Å; N7-Y65 PolarHBondContact ND2-O 3.46Å; V9-Y65 HydrophobicContact CG2-CD2 3.92Å; V9-Y65 HydrophobicContact CG2-CG 4.21Å; H43-Y65 HydrophobicContact CB-CE1 4.34Å; H43-Y65 HydrophobicContact CB-CE2 4.33Å; H43-Y65 AromaticContact CD2-CD1 3.54Å; H43-Y65 AromaticContact CD2-CE1 3.8Å; H43-Y65 AromaticContact CD2-CG 3.99Å; H43-Y65 AromaticContact CE1-CD1 3.69Å; H43-Y65 AromaticContact CE1-CE1 3.38Å; H43-Y65 WeakPolarHBondContact CE1-CE1 3.35Å; H43-Y65 AromaticContact CG-CD1 3.72Å; H43-Y65 AromaticContact CG-CE1 3.51Å; H43-Y65 AromaticContact CG-CZ 3.79Å; H43-Y65 AromaticContact ND1-CD1 3.83Å; H43-Y65 AromaticContact ND1-CE1 3.24Å; H43-Y65 WeakPolarHBondContact ND1-CE1 3.47Å; H43-Y65 AromaticContact ND1-CZ 3.68Å; H43-Y65 AromaticContact NE2-CD1 3.5Å; H43-Y65 AromaticContact NE2-CE1 3.71Å; Y45-Y65 AromaticContact CE2-CE2 3.64Å; Y45-Y65 HydrophobicContact CE2-CE2 3.64Å; Y45-Y65 AromaticContact CZ-CE2 3.92Å; Y45-Y65 WeakPolarHBondContact OH-CE2 3.36Å; Y45-Y65 PolarHBondContact OH-OH 3.39Å; L61-Y65 HydrophobicContact CD2-CD2 4.3Å; L61-Y65 HydrophobicContact CD2-CE2 4.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.14Å; L61-Y65 PolarHBondContact O-N 3.44Å; L61-Y65 VanDerWaalsContact O-N 3.1Å
66H95.4Very high97Very high151 Ų15140.3 Ų40.370%0.69921%0.211SC*.  trans43.251.7-170.1-57.683.6000111.4W62 K63W62-H66 WeakPolarHBondContact O-CA 3.16Å; W62-H66 PolarHBondContact O-N 3.24Å; K63-H66 PolarHBondContact O-CE1 3.28Å; K63-H66 PolarHBondContact O-ND1 3.45Å
67P96.6Very high96.4Very high5 Ų539.3 Ų39.33%0.03221%0.214CC..  trans-67147.9-16929-33.6000111.5N7 V9 W62 V70N7-P67 HydrophobicContact CB-CB 4.38Å; N7-P67 CarbonylContact O-C 3.54Å; N7-P67 VanDerWaalsContact O-CA 3.29Å; N7-P67 WeakPolarHBondContact O-CA 3.32Å; N7-P67 WeakPolarHBondContact O-CB 3.43Å; V9-P67 HydrophobicContact CG2-CB 4.02Å; V9-P67 HydrophobicContact CG2-CG 4.13Å; W62-P67 HydrophobicContact CD2-CG 4.08Å; W62-P67 HydrophobicContact CE3-CG 3.67Å; W62-P67 HydrophobicContact CH2-CG 4.23Å; W62-P67 HydrophobicContact CZ3-CG 3.77Å; W62-P67 VanDerWaalsContact CZ3-O 3.29Å; W62-P67 WeakPolarHBondContact CZ3-O 3.2Å; P67-V70 HydrophobicContact CB-CG2 4.12Å; P67-V70 HydrophobicContact CG-CG2 3.43Å; P67-V70 VanDerWaalsContact CG-CG2 3.43Å
68Q95.5Very high95.7Very high31 Ų3146.2 Ų46.215%0.14525%0.248CC..SBendtrans-69.1-32.2168.3-172-173.91.900110.3R6 N7 L196 D197R6-Q68 VanDerWaalsContact CG-OE1 3.29Å; N7-Q68 PolarHBondContact O-N 2.91Å; Q68-L196 HydrophobicContact CG-CD1 4.39Å; Q68-D197 PolarHBondContact NE2-OD1 2.81Å
69L97.4Very high95.1Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-148.1135-177.7179.358000111.5V8 V9 V71 I120 I189 M192 L193 L196V8-L69 WeakPolarHBondContact CA-O 3.37Å; V9-L69 PolarHBondContact N-O 3.49Å; V9-L69 VanDerWaalsContact N-O 3.1Å; L69-V71 HydrophobicContact CD1-CG2 4.16Å; L69-V71 HydrophobicContact CD2-CG2 3.73Å; L69-V71 HydrophobicContact CG-CG2 3.68Å; L69-I120 HydrophobicContact CD1-CD1 3.54Å; L69-I120 HydrophobicContact CD2-CD1 4.4Å; L69-I189 HydrophobicContact CD2-CG2 4.42Å; L69-M192 HydrophobicContact CD2-CB 3.77Å; L69-M192 HydrophobicContact CD2-SD 4.23Å; L69-L193 HydrophobicContact CB-CD2 4.21Å; L69-L193 HydrophobicContact CD2-CD2 4.21Å; L69-L196 HydrophobicContact CB-CD1 4.24Å; L69-L196 HydrophobicContact CD1-CD1 4.49Å; L69-L196 HydrophobicContact CD2-CD1 4.47Å
70V98.6Very high94.8Very high1 Ų149.3 Ų49.31%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-112.4125.9165-177.10000109.6V9 W62 P67 H72 S164 A165V9-V70 HydrophobicContact CB-CG1 4.28Å; V9-V70 HydrophobicContact CB-CG2 4.09Å; V9-V70 HydrophobicContact CG1-CG1 4.44Å; V9-V70 CarbonylContact O-C 3.59Å; V9-V70 WeakPolarHBondContact O-CA 3.46Å; W62-V70 HydrophobicContact CD2-CG2 4.02Å; W62-V70 HydrophobicContact CH2-CB 4.44Å; W62-V70 HydrophobicContact CH2-CG2 3.81Å; W62-V70 HydrophobicContact CZ2-CB 3.66Å; W62-V70 HydrophobicContact CZ2-CG2 3.23Å; W62-V70 HydrophobicContact CZ3-CG2 4.43Å; P67-V70 HydrophobicContact CB-CG2 4.12Å; P67-V70 HydrophobicContact CG-CG2 3.43Å; P67-V70 VanDerWaalsContact CG-CG2 3.43Å; V70-H72 VanDerWaalsContact CG1-CE1 3.48Å; V70-H72 WeakPolarHBondContact CG1-CE1 3.36Å; V70-H72 WeakPolarHBondContact CG1-NE2 3.47Å; V70-S164 CarbonylContact O-C 3.4Å; V70-S164 VanDerWaalsContact O-CA 3.3Å; V70-S164 WeakPolarHBondContact O-CA 3.37Å; V70-A165 PolarHBondContact O-N 2.65Å
71V98.8Very high94.7Very high0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-116.6117.5176.6-174.90000109.8V9 V10 T11 L69 A165 V167 I189 M192V9-V71 PolarHBondContact O-N 2.71Å; V10-V71 CarbonylContact C-O 3.59Å; V10-V71 VanDerWaalsContact CA-O 3.22Å; V10-V71 WeakPolarHBondContact CA-O 3.25Å; V10-V71 HydrophobicContact CG1-CB 4.43Å; V10-V71 HydrophobicContact CG2-CB 4.4Å; T11-V71 PolarHBondContact N-O 2.95Å; L69-V71 HydrophobicContact CD1-CG2 4.16Å; L69-V71 HydrophobicContact CD2-CG2 3.73Å; L69-V71 HydrophobicContact CG-CG2 3.68Å; V71-A165 WeakPolarHBondContact CA-O 3.49Å; V71-A165 HydrophobicContact CG1-CB 4.28Å; V71-A165 HydrophobicContact CG2-CB 4.13Å; V71-V167 HydrophobicContact CG1-CG2 3.92Å; V71-I189 HydrophobicContact CB-CD1 4.41Å; V71-I189 HydrophobicContact CB-CG1 4.44Å; V71-I189 HydrophobicContact CG1-CD1 4.46Å; V71-I189 HydrophobicContact CG1-CG1 4.38Å; V71-I189 HydrophobicContact CG2-CD1 4.43Å; V71-I189 HydrophobicContact CG2-CG1 4.03Å; V71-M192 HydrophobicContact CG2-SD 4.24Å
72H98.8Very high94.7Very high0 Ų048.5 Ų48.50%026%0.261CS..EExtended strand (participates in β ladder)trans-95.4135.5174.6-60.8-69.6000109.6T11 V70 T152 S156 A165 F166 V167T11-H72 PolarHBondContact OG1-ND1 3.1Å; V70-H72 VanDerWaalsContact CG1-CE1 3.48Å; V70-H72 WeakPolarHBondContact CG1-CE1 3.36Å; V70-H72 WeakPolarHBondContact CG1-NE2 3.47Å; H72-T152 HydrophobicContact CB-CG2 4.31Å; H72-T152 WeakPolarHBondContact ND1-CG2 3.3Å; H72-S156 WeakPolarHBondContact NE2-CB 3.38Å; H72-S156 PolarHBondContact NE2-OG 3.14Å; H72-A165 PolarHBondContact N-O 3.13Å; H72-F166 HydrophobicContact CB-CD2 3.4Å; H72-F166 HydrophobicContact CB-CE2 3.63Å; H72-F166 HydrophobicContact CB-CG 4.32Å; H72-F166 CarbonylContact O-C 3.57Å; H72-F166 VanDerWaalsContact O-CA 3.3Å; H72-F166 WeakPolarHBondContact O-CA 3.26Å; H72-V167 PolarHBondContact O-N 3.32Å
73V98.8Very high94.8Very high0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-115.7127.7179.9-170.60000108.5V10 T11 F13 S24 V28 V167 V169 L185V10-V73 HydrophobicContact CG1-CG2 3.93Å; T11-V73 WeakPolarHBondContact O-CA 3.48Å; T11-V73 WeakPolarHBondContact O-CB 3.25Å; T11-V73 PolarHBondContact O-N 3.09Å; F13-V73 VanDerWaalsContact CD2-O 3.26Å; F13-V73 WeakPolarHBondContact CD2-O 3.47Å; S24-V73 WeakPolarHBondContact CB-O 3.43Å; S24-V73 PolarHBondContact OG-O 3.47Å; V28-V73 HydrophobicContact CG2-CB 3.95Å; V28-V73 HydrophobicContact CG2-CG2 3.72Å; V73-V167 VanDerWaalsContact CA-O 3.28Å; V73-V167 WeakPolarHBondContact CA-O 3.39Å; V73-V169 HydrophobicContact CG1-CG1 3.75Å; V73-V169 HydrophobicContact CG1-CG2 4.08Å; V73-L185 HydrophobicContact CG1-CD1 4.3Å; V73-L185 HydrophobicContact CG1-CD2 4.28Å; V73-L185 HydrophobicContact CG2-CD1 3.98Å; V73-L185 HydrophobicContact CG2-CD2 3.88Å
74G97.3Very high94.9Very high0 Ų039.9 Ų39.90%023%0.226CC..EExtended strand (participates in β ladder)trans-123.2152.8176.100000111.3V167 H168 V169G74-V167 PolarHBondContact N-O 3.27Å; G74-H168 CarbonylContact O-C 3.54Å; G74-H168 VanDerWaalsContact O-CA 3.27Å; G74-H168 WeakPolarHBondContact O-CA 3.39Å; G74-V169 PolarHBondContact O-N 2.99Å
75V94.8Very high95Very high48 Ų4834.7 Ų34.729%0.29120%0.201SC..EExtended strand (participates in β ladder)trans-87.4135.3169.8630000109.7N22 A23 V169N22-V75 VanDerWaalsContact OD1-CG1 3.26Å; N22-V75 WeakPolarHBondContact OD1-CG1 3.29Å; A23-V75 HydrophobicContact CB-CB 4.1Å; A23-V75 HydrophobicContact CB-CG2 3.71Å; V75-V169 WeakPolarHBondContact CA-O 3.29Å
76S91.6Very high95.1Very high41 Ų4135.2 Ų35.229%0.28720%0.204SC..  trans-112.1114166.4174.30000109.1M78 A79 V169S76-M78 PolarHBondContact O-N 2.97Å; S76-M78 VanDerWaalsContact O-N 3.12Å; S76-A79 WeakPolarHBondContact O-CB 3.49Å; S76-A79 PolarHBondContact O-N 2.95Å; S76-A79 VanDerWaalsContact O-N 3.08Å; S76-V169 PolarHBondContact N-O 2.85Å
77G84.7Confident95.1Very high64 Ų6428.2 Ų28.266%0.6617%0.172SC*.THydrogen-bonded Turntrans-62.4-21.6-171.400000115.1
78M83.3Confident95.2Very high181 Ų18128 Ų2889%0.89217%0.171SC*.THydrogen-bonded Turntrans-105-5.7178.9-63.8-175.966.900113.2S76S76-M78 PolarHBondContact O-N 2.97Å; S76-M78 VanDerWaalsContact O-N 3.12Å
79A86.4Confident95.3Very high16 Ų1630.4 Ų30.413%0.13218%0.178CC..  trans-69.1142.6-178.800000110.6S76 P170S76-A79 WeakPolarHBondContact O-CB 3.49Å; S76-A79 PolarHBondContact O-N 2.95Å; S76-A79 VanDerWaalsContact O-N 3.08Å; A79-P170 HydrophobicContact CB-CB 4.26Å; A79-P170 WeakPolarHBondContact O-CB 3.45Å
80T92Very high95.3Very high99 Ų9930.6 Ų30.661%0.60718%0.179SC*.SBendtrans-114.9-2.7170.4540000112P175T80-P175 WeakPolarHBondContact O-CG 3.49Å
81T95.6Very high95.2Very high33 Ų3334.6 Ų34.620%0.20220%0.201CC..SBendtrans-132.8157.1-178.172.30000109.7T83 A137 S139T81-T83 PolarHBondContact O-OG1 3.31Å; T81-A137 WeakPolarHBondContact CA-O 3.19Å; T81-A137 WeakPolarHBondContact CB-O 3.28Å; T81-A137 HydrophobicContact CG2-CB 3.74Å; T81-S139 PolarHBondContact OG1-OG 3.36Å
82V98.1Very high95.1Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-76.3121.8167.7177.60000107.9V136 A137 V138 S139 V167 H168 V169 L181 A184 I188V82-V136 HydrophobicContact CB-CG1 4.33Å; V82-V136 HydrophobicContact CG2-CG1 3.58Å; V82-A137 PolarHBondContact N-O 3.41Å; V82-V138 HydrophobicContact CB-CG2 4.48Å; V82-V138 CarbonylContact O-C 3.55Å; V82-V138 WeakPolarHBondContact O-CA 3.2Å; V82-S139 PolarHBondContact O-N 3.34Å; V82-V167 HydrophobicContact CG1-CG1 3.37Å; V82-H168 CarbonylContact C-O 3.51Å; V82-H168 WeakPolarHBondContact CA-O 3.28Å; V82-V169 HydrophobicContact CG2-CG1 4.49Å; V82-L181 HydrophobicContact CG2-CD2 3.83Å; V82-A184 HydrophobicContact CG2-CB 4.29Å; V82-I188 HydrophobicContact CG1-CD1 3.62Å
83T98.3Very high94.9Very high17 Ų1736 Ų3610%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-112.8124.9-170.7-51.70000110.4T81 S139 S141 V167 H168T81-T83 PolarHBondContact O-OG1 3.31Å; T83-S139 CarbonylContact C-O 3.57Å; T83-S139 WeakPolarHBondContact CA-O 3.49Å; T83-S139 PolarHBondContact OG1-OG 2.82Å; T83-S141 VanDerWaalsContact CG2-CB 3.41Å; T83-V167 CarbonylContact O-C 3.59Å; T83-V167 WeakPolarHBondContact O-CA 3.5Å; T83-H168 PolarHBondContact N-O 2.89Å; T83-H168 PolarHBondContact O-N 3.47Å
84L98.5Very high94.8Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-90.9119175.2-49.6-175.5000109.4M122 V125 C126 V138 S139 V140 S141 V167 I188 M192L84-M122 HydrophobicContact CB-CB 4.07Å; L84-M122 HydrophobicContact CB-CG 4.26Å; L84-M122 HydrophobicContact CB-SD 4.02Å; L84-M122 HydrophobicContact CD1-SD 4.42Å; L84-V125 HydrophobicContact CD1-CB 3.94Å; L84-V125 HydrophobicContact CD1-CG1 3.68Å; L84-C126 HydrophobicContact CD1-CB 4.07Å; L84-V138 HydrophobicContact CD1-CG1 4.08Å; L84-V138 HydrophobicContact CD2-CG1 4.27Å; L84-V138 HydrophobicContact CG-CG1 3.89Å; L84-S139 PolarHBondContact N-O 2.62Å; L84-V140 HydrophobicContact CB-CG2 4.5Å; L84-V140 WeakPolarHBondContact O-CA 3.29Å; L84-S141 PolarHBondContact O-N 2.91Å; L84-V167 HydrophobicContact CD2-CG1 4.2Å; L84-V167 HydrophobicContact CD2-CG2 3.83Å; L84-I188 HydrophobicContact CD2-CD1 3.94Å; L84-I188 HydrophobicContact CD2-CG1 4.31Å; L84-I188 HydrophobicContact CD2-CG2 3.7Å; L84-M192 HydrophobicContact CD2-CE 4.38Å
85E98.3Very high94.6Very high5 Ų544.6 Ų44.62%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-86.7124.8-179.5-58.6-63.4162.900110.8S141 D143 A144 Y153 F166 H168E85-S141 WeakPolarHBondContact OE2-CB 3.49Å; E85-S141 PolarHBondContact OE2-OG 3.02Å; E85-D143 VanDerWaalsContact OE2-C 3.23Å; E85-D143 PolarHBondContact OE2-N 2.82Å; E85-A144 HydrophobicContact CB-CB 4.17Å; E85-A144 HydrophobicContact CG-CB 3.74Å; E85-A144 PolarHBondContact OE2-N 2.87Å; E85-Y153 HydrophobicContact CB-CD1 4.21Å; E85-Y153 HydrophobicContact CB-CE1 3.7Å; E85-Y153 PolarHBondContact O-OH 3.36Å; E85-F166 HydrophobicContact CB-CB 4.08Å; E85-F166 HydrophobicContact CG-CB 4.24Å; E85-F166 HydrophobicContact CG-CD1 3.94Å; E85-F166 HydrophobicContact CG-CG 4.49Å; E85-F166 PolarHBondContact N-O 2.91Å; E85-H168 IonicContact OE1-CE1 3.52Å; E85-H168 IonicContact OE1-CG 2.67Å; E85-H168 IonicContact OE1-ND1 2.95Å; E85-H168 PolarHBondContact OE1-ND1 3.31Å
86K97.5Very high94.6Very high47 Ų4745.8 Ų45.820%0.20427%0.265CS..  trans-74-36.9-179.5-78.5174.9150170.40113.6D117 S118 M122 E123 V140 S141 K142K86-D117 WeakPolarHBondContact O-CA 3.24Å; K86-S118 PolarHBondContact O-N 2.7Å; K86-M122 HydrophobicContact CG-CB 3.95Å; K86-M122 HydrophobicContact CG-CG 4.1Å; K86-E123 WeakPolarHBondContact CE-OE1 3.39Å; K86-E123 VanDerWaalsContact NZ-CD 3.28Å; K86-E123 IonicContact NZ-OE1 2.75Å; K86-E123 PolarHBondContact NZ-OE1 3.37Å; K86-V140 HydrophobicContact CD-CG1 3.54Å; K86-V140 VanDerWaalsContact CE-CG1 3.5Å; K86-V140 HydrophobicContact CG-CG1 3.5Å; K86-S141 WeakPolarHBondContact CB-O 3.37Å; K86-S141 WeakPolarHBondContact CG-O 3.13Å; K86-S141 PolarHBondContact N-O 2.86Å; K86-K142 HydrophobicContact CB-CG 4.23Å; K86-K142 HydrophobicContact CD-CD 4.5Å; K86-K142 HydrophobicContact CD-CG 3.77Å
87C96.7Very high94.8Very high4 Ų444.1 Ų44.13%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-146.9149.4-170.667.50000112.9C115 I116 D117 K142 Y153C87-C115 VanDerWaalsContact CB-SG 3.53Å; C87-C115 PolarHBondContact SG-SG 2.97Å; C87-I116 CarbonylContact C-O 3.54Å; C87-I116 WeakPolarHBondContact CA-O 3.5Å; C87-I116 WeakPolarHBondContact CB-O 3.36Å; C87-D117 WeakPolarHBondContact CB-OD1 3.48Å; C87-K142 PolarHBondContact SG-O 3.35Å; C87-Y153 VanDerWaalsContact C-CE1 3.42Å
88G97.8Very high95.2Very high0 Ų044.1 Ų44.10%024%0.237CC..EExtended strand (participates in β ladder)trans-99.1155.217000000110.7C115 I116 D150G88-C115 WeakPolarHBondContact O-CA 3.4Å; G88-I116 PolarHBondContact N-O 2.95Å; G88-I116 PolarHBondContact O-N 3.47Å; G88-I116 VanDerWaalsContact O-N 3.09Å; G88-D150 WeakPolarHBondContact CA-OD1 3.39Å
89R98Very high95.8Very high82 Ų8238.9 Ų38.931%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-118138-176.9-63.5-73.2-166.9168.60.5111.1Y93 D114 R146 D150 Y154R89-Y93 PolarHBondContact O-OH 2.99Å; R89-D114 WeakPolarHBondContact CA-O 3.46Å; R89-R146 VanDerWaalsContact CG-CZ 3.42Å; R89-D150 PolarHBondContact N-OD1 2.92Å; R89-D150 PolarHBondContact N-OD2 3.02Å; R89-D150 VanDerWaalsContact O-OD2 3.04Å; R89-Y154 VanDerWaalsContact C-CD2 3.43Å
90N98Very high96.1Very high4 Ų447.2 Ų47.22%0.02125%0.247CC..SBendtrans-81.7-22.1-176.2-164.520.9000113.6Y93 C107 C108 I109 G112 P113 D114 Y154N90-Y93 WeakPolarHBondContact O-CE2 3.47Å; N90-C107 CarbonylContact O-C 3.47Å; N90-C107 WeakPolarHBondContact O-CA 3.07Å; N90-C107 WeakPolarHBondContact O-CB 3.34Å; N90-C108 PolarHBondContact O-N 2.91Å; N90-C108 WeakPolarHBondContact OD1-CB 3.3Å; N90-C108 PolarHBondContact OD1-N 3.35Å; N90-C108 VanDerWaalsContact OD1-N 3.13Å; N90-I109 PolarHBondContact ND2-O 2.74Å; N90-I109 PolarHBondContact OD1-N 3.31Å; N90-I109 PolarHBondContact OD1-O 2.85Å; N90-G112 PolarHBondContact ND2-O 2.95Å; N90-P113 VanDerWaalsContact CB-O 3.29Å; N90-P113 WeakPolarHBondContact CB-O 3.4Å; N90-D114 PolarHBondContact N-O 2.83Å; N90-Y154 HydrophobicContact CB-CD2 4.24Å; N90-Y154 HydrophobicContact CB-CE1 4.04Å; N90-Y154 HydrophobicContact CB-CE2 3.52Å; N90-Y154 VanDerWaalsContact CB-CZ 3.41Å; N90-Y154 WeakPolarHBondContact CB-OH 3.41Å; N90-Y154 VanDerWaalsContact CG-CZ 3.44Å; N90-Y154 VanDerWaalsContact CG-OH 3.29Å; N90-Y154 VanDerWaalsContact OD1-CE1 3.28Å; N90-Y154 WeakPolarHBondContact OD1-CE1 3.27Å
91L96.9Very high96.3Very high86 Ų8645.1 Ų45.145%0.4523%0.229SC..BIsolated β-bridgetrans-124.9148.3-165.5-60.7174.8000112.4C107 R146L91-C107 HydrophobicContact CD2-CB 3.46Å; L91-C107 VanDerWaalsContact CD2-CB 3.46Å; L91-R146 WeakPolarHBondContact O-CD 3.35Å; L91-R146 PolarHBondContact O-NE 3.44Å
92G95.1Very high96.2Very high29 Ų2944.7 Ų44.730%0.29923%0.227SC..  trans114.511.7168.800000114.8K94 Q106G92-K94 PolarHBondContact O-N 3Å; G92-Q106 PolarHBondContact N-O 3.05Å
93Y96.4Very high96Very high0 Ų045.2 Ų45.20%023%0.231CC..  trans-72.3116.2178.7-56.2-72.8000110.8Y51 R89 N90 Q106 C108 D150 F151Y51-Y93 HydrophobicContact CE1-CD1 4.15Å; Y51-Y93 HydrophobicContact CE1-CG 4.38Å; R89-Y93 PolarHBondContact O-OH 2.99Å; N90-Y93 WeakPolarHBondContact O-CE2 3.47Å; Y93-Q106 PolarHBondContact N-O 2.86Å; Y93-Q106 WeakPolarHBondContact O-CB 3.14Å; Y93-Q106 WeakPolarHBondContact O-CG 3.33Å; Y93-C108 HydrophobicContact CD2-CB 4.5Å; Y93-C108 HydrophobicContact CE2-CB 3.61Å; Y93-D150 HydrophobicContact CE1-CB 4.35Å; Y93-D150 PolarHBondContact OH-OD2 2.79Å; Y93-F151 HydrophobicContact CD1-CB 4.2Å; Y93-F151 HydrophobicContact CD1-CD2 4.14Å; Y93-F151 AromaticContact CD2-CD2 3.99Å; Y93-F151 HydrophobicContact CD2-CD2 3.99Å; Y93-F151 HydrophobicContact CE1-CB 3.61Å; Y93-F151 HydrophobicContact CE1-CD2 4.02Å; Y93-F151 HydrophobicContact CE1-CG 4.32Å; Y93-F151 AromaticContact CE2-CD2 3.83Å; Y93-F151 HydrophobicContact CE2-CD2 3.83Å; Y93-F151 HydrophobicContact CG-CD2 4.13Å; Y93-F151 AromaticContact CZ-CD2 3.83Å; Y93-F151 VanDerWaalsContact OH-CA 3.29Å; Y93-F151 WeakPolarHBondContact OH-CA 3.28Å; Y93-F151 PolarHBondContact OH-N 3.48Å
94K95Very high95.7Very high152 Ų15252.9 Ų52.966%0.66127%0.265SS*.  trans-133.1-12.6-179.6-62.7-179.9-178.3179.30113.5G92 C102G92-K94 PolarHBondContact O-N 3Å; K94-C102 VanDerWaalsContact C-SG 3.54Å
95G94.1Very high95.5Very high29 Ų2955.8 Ų55.830%0.29929%0.285SS..  trans-77.1132.1-179.600000111Y51 C102Y51-G95 WeakPolarHBondContact CE2-O 3.34Å; Y51-G95 PolarHBondContact OH-O 3.1Å; G95-C102 PolarHBondContact O-SG 3.45Å
96L95.1Very high95.2Very high73 Ų7359.7 Ų59.738%0.38230%0.304SS..  trans-70.1138.3170.8-62.7-178.7000110.3R100 F101 C102 Y147L96-R100 VanDerWaalsContact CD1-CZ 3.47Å; L96-F101 CarbonylContact C-O 3.55Å; L96-F101 WeakPolarHBondContact CA-O 3.38Å; L96-C102 HydrophobicContact CD2-CB 3.87Å; L96-Y147 PolarHBondContact O-OH 2.74Å
97D95.4Very high95.1Very high6 Ų658 Ų583%0.03230%0.298CS..  trans-82.8-176.5176.375.49.4000113.4V49 E50 Y51 S99 R100 F101 Y147 L148V49-D97 WeakPolarHBondContact O-CB 3.17Å; E50-D97 WeakPolarHBondContact CA-OD2 3.29Å; Y51-D97 HydrophobicContact CD2-CB 3.73Å; Y51-D97 WeakPolarHBondContact CD2-OD2 3.34Å; Y51-D97 HydrophobicContact CE2-CB 3.9Å; Y51-D97 PolarHBondContact N-OD2 3.24Å; D97-S99 PolarHBondContact O-N 3.07Å; D97-S99 VanDerWaalsContact OD1-C 3.27Å; D97-S99 WeakPolarHBondContact OD1-CA 3.47Å; D97-S99 PolarHBondContact OD1-N 3.16Å; D97-R100 WeakPolarHBondContact O-CA 3.3Å; D97-R100 PolarHBondContact O-N 3.08Å; D97-R100 PolarHBondContact OD1-N 3.1Å; D97-R100 VanDerWaalsContact OD1-N 3.13Å; D97-F101 VanDerWaalsContact CG-O 3.29Å; D97-F101 PolarHBondContact N-O 3.2Å; D97-F101 WeakPolarHBondContact OD1-CA 3.32Å; D97-F101 WeakPolarHBondContact OD1-CB 3.3Å; D97-F101 PolarHBondContact OD1-N 3.48Å; D97-Y147 WeakPolarHBondContact CA-OH 3.49Å; D97-L148 HydrophobicContact CB-CD2 4.2Å
98N93.6Very high95.1Very high63 Ų6358.1 Ų58.134%0.33730%0.298SS..THydrogen-bonded Turntrans-59.3-28.5179.2-88.6-12.8000112.7E14 P15 F16 V49 E50 R100E14-N98 PolarHBondContact OE1-ND2 3.39Å; P15-N98 PolarHBondContact O-ND2 3.22Å; F16-N98 WeakPolarHBondContact CD2-OD1 3.46Å; V49-N98 WeakPolarHBondContact O-CB 3.33Å; V49-N98 PolarHBondContact O-N 3.42Å; E50-N98 HydrophobicContact CG-CB 4.16Å; N98-R100 VanDerWaalsContact C-N 3.29Å
99S94.3Very high95.1Very high71 Ų7160.1 Ų60.150%0.49731%0.308SS..THydrogen-bonded Turntrans-90.513.9175.2-86.20000113.4E50 D97 F101E50-S99 VanDerWaalsContact CD-OG 3.31Å; E50-S99 PolarHBondContact OE1-OG 3.36Å; D97-S99 PolarHBondContact O-N 3.07Å; D97-S99 VanDerWaalsContact OD1-C 3.27Å; D97-S99 WeakPolarHBondContact OD1-CA 3.47Å; D97-S99 PolarHBondContact OD1-N 3.16Å; S99-F101 PolarHBondContact O-N 3Å
100R94.5Very high94.9Very high192 Ų19263.8 Ų63.873%0.72533%0.329SS*.SBendtrans59.128.2-179.3-56.3-71.9-67.1178.2-1.6112.7L96 D97 N98L96-R100 VanDerWaalsContact CD1-CZ 3.47Å; D97-R100 WeakPolarHBondContact O-CA 3.3Å; D97-R100 PolarHBondContact O-N 3.08Å; D97-R100 PolarHBondContact OD1-N 3.1Å; D97-R100 VanDerWaalsContact OD1-N 3.13Å; N98-R100 VanDerWaalsContact C-N 3.29Å
101F94.9Very high94.8Very high55 Ų5567.9 Ų67.924%0.24137%0.372CS..  trans-105.2149.2179.3173.4-94.7000111.6Y51 Q52 L96 D97 S99 P103Y51-F101 AromaticContact CD2-CD1 3.96Å; Y51-F101 HydrophobicContact CD2-CD1 3.96Å; Y51-F101 HydrophobicContact CD2-CE1 4.37Å; Y51-F101 HydrophobicContact CG-CD1 4.37Å; Y51-F101 HydrophobicContact CG-CE1 4.42Å; Q52-F101 HydrophobicContact CG-CD1 4.28Å; Q52-F101 HydrophobicContact CG-CE1 4.07Å; Q52-F101 HydrophobicContact CG-CZ 4.42Å; L96-F101 CarbonylContact C-O 3.55Å; L96-F101 WeakPolarHBondContact CA-O 3.38Å; D97-F101 VanDerWaalsContact CG-O 3.29Å; D97-F101 PolarHBondContact N-O 3.2Å; D97-F101 WeakPolarHBondContact OD1-CA 3.32Å; D97-F101 WeakPolarHBondContact OD1-CB 3.3Å; D97-F101 PolarHBondContact OD1-N 3.48Å; S99-F101 PolarHBondContact O-N 3Å; F101-P103 HydrophobicContact CE1-CG 4.26Å
102C94.7Very high94.8Very high23 Ų2364.3 Ų64.316%0.15536%0.356CS..  trans-148.2140.2169.5-174.50000108.8K94 G95 L96 H104K94-C102 VanDerWaalsContact C-SG 3.54Å; G95-C102 PolarHBondContact O-SG 3.45Å; L96-C102 HydrophobicContact CD2-CB 3.87Å; C102-H104 PolarHBondContact O-N 3.25Å
103P93.4Very high94.9Very high12 Ų1266 Ų668%0.07836%0.362CS..  trans-57.9124.3178.2-25.134.1000112.1Y51 F101 S105 Q106 F151Y51-P103 HydrophobicContact CD1-CG 3.93Å; Y51-P103 HydrophobicContact CD2-CG 4.42Å; Y51-P103 HydrophobicContact CE1-CG 4.25Å; Y51-P103 HydrophobicContact CG-CG 4.02Å; F101-P103 HydrophobicContact CE1-CG 4.26Å; P103-S105 VanDerWaalsContact C-N 3.26Å; P103-S105 PolarHBondContact O-N 3.1Å; P103-Q106 PolarHBondContact O-N 2.96Å; P103-F151 HydrophobicContact CG-CE2 3.95Å
104H92.3Very high94.9Very high177 Ų17771.3 Ų71.382%0.81939%0.39SS*.THydrogen-bonded Turntrans-60.5-36.5-179.5-70.983.3000112.7C102 Q106C102-H104 PolarHBondContact O-N 3.25Å; H104-Q106 PolarHBondContact O-N 3.49Å
105S92.9Very high95Very high61 Ų6166 Ų6643%0.42737%0.372SS..THydrogen-bonded Turntrans-67.2-13.8176.256.60000113.3P103 C107P103-S105 VanDerWaalsContact C-N 3.26Å; P103-S105 PolarHBondContact O-N 3.1Å; S105-C107 VanDerWaalsContact CB-SG 3.51Å; S105-C107 PolarHBondContact O-N 2.98Å; S105-C107 PolarHBondContact OG-N 2.79Å; S105-C107 PolarHBondContact OG-SG 3.02Å
106Q93.8Very high95.2Very high88 Ų8865.9 Ų65.941%0.41136%0.364SS..SBendtrans54.617.3-170-54.2-179.917.700113.4G92 Y93 P103 H104G92-Q106 PolarHBondContact N-O 3.05Å; Y93-Q106 PolarHBondContact N-O 2.86Å; Y93-Q106 WeakPolarHBondContact O-CB 3.14Å; Y93-Q106 WeakPolarHBondContact O-CG 3.33Å; P103-Q106 PolarHBondContact O-N 2.96Å; H104-Q106 PolarHBondContact O-N 3.49Å
107C95.3Very high95.4Very high12 Ų1267.5 Ų67.58%0.08137%0.373CS..BIsolated β-bridgetrans-117.6156.7178.1790000112N90 L91 S105N90-C107 CarbonylContact O-C 3.47Å; N90-C107 WeakPolarHBondContact O-CA 3.07Å; N90-C107 WeakPolarHBondContact O-CB 3.34Å; L91-C107 HydrophobicContact CD2-CB 3.46Å; L91-C107 VanDerWaalsContact CD2-CB 3.46Å; S105-C107 VanDerWaalsContact CB-SG 3.51Å; S105-C107 PolarHBondContact O-N 2.98Å; S105-C107 PolarHBondContact OG-N 2.79Å; S105-C107 PolarHBondContact OG-SG 3.02Å
108C96.3Very high95.5Very high6 Ų667.9 Ų67.94%0.04138%0.376CS..SBendtrans-80-52.3175.8-172.70000111.6N90 Y93 F151 Y154 T155N90-C108 PolarHBondContact O-N 2.91Å; N90-C108 WeakPolarHBondContact OD1-CB 3.3Å; N90-C108 PolarHBondContact OD1-N 3.35Å; N90-C108 VanDerWaalsContact OD1-N 3.13Å; Y93-C108 HydrophobicContact CD2-CB 4.5Å; Y93-C108 HydrophobicContact CE2-CB 3.61Å; C108-F151 HydrophobicContact CB-CD2 3.8Å; C108-F151 HydrophobicContact CB-CE2 3.85Å; C108-F151 HydrophobicContact CB-CG 4.5Å; C108-F151 PolarHBondContact SG-O 3.36Å; C108-Y154 HydrophobicContact CB-CD1 3.5Å; C108-Y154 VanDerWaalsContact CB-CD1 3.5Å; C108-Y154 HydrophobicContact CB-CE1 4Å; C108-Y154 HydrophobicContact CB-CG 4.22Å; C108-Y154 VanDerWaalsContact SG-CD1 3.56Å; C108-T155 PolarHBondContact SG-OG1 2.78Å
109I96.4Very high95.6Very high41 Ų4169 Ų6921%0.2139%0.385CS..SBendtrans-128.3120.3178.6-57.7-65.5000108.9N90 G111 G112 Y154 Y158N90-I109 PolarHBondContact ND2-O 2.74Å; N90-I109 PolarHBondContact OD1-N 3.31Å; N90-I109 PolarHBondContact OD1-O 2.85Å; I109-G111 PolarHBondContact O-N 2.94Å; I109-G112 PolarHBondContact O-N 3.16Å; I109-G112 VanDerWaalsContact O-N 3.07Å; I109-Y154 HydrophobicContact CB-CE1 3.94Å; I109-Y154 HydrophobicContact CG1-CD1 4.19Å; I109-Y154 HydrophobicContact CG1-CE1 3.69Å; I109-Y158 HydrophobicContact CG1-CD1 4.22Å; I109-Y158 HydrophobicContact CG1-CG 4.24Å; I109-Y158 HydrophobicContact CG2-CD1 4.35Å; I109-Y158 HydrophobicContact CG2-CE1 3.98Å; I109-Y158 HydrophobicContact CG2-CE2 4.18Å
110E95.6Very high95.7Very high160 Ų16065.9 Ų65.975%0.74836%0.363SS*.THydrogen-bonded Turntrans-61129.3175.6-68.5-173.9177.800110.8G112E110-G112 PolarHBondContact O-N 3.47Å
111G95.5Very high95.9Very high90 Ų9060.2 Ų60.293%0.92835%0.347SS*.THydrogen-bonded Turntrans71.81.8-176.600000115.2I109I109-G111 PolarHBondContact O-N 2.94Å
112G96.4Very high96Very high10 Ų1057.6 Ų57.610%0.10334%0.335CS..  trans-71.4156.5174.300000113N90 I109 E110 Y154N90-G112 PolarHBondContact ND2-O 2.95Å; I109-G112 PolarHBondContact O-N 3.16Å; I109-G112 VanDerWaalsContact O-N 3.07Å; E110-G112 PolarHBondContact O-N 3.47Å; G112-Y154 WeakPolarHBondContact CA-OH 3.43Å
113P97.4Very high96.2Very high66 Ų6661 Ų6143%0.42935%0.349SS..  trans-63145.417928.3-37.3000112.5N90 C115 I116 Y154N90-P113 VanDerWaalsContact CB-O 3.29Å; N90-P113 WeakPolarHBondContact CB-O 3.4Å; P113-C115 PolarHBondContact O-N 2.87Å; P113-I116 HydrophobicContact CG-CD1 3.76Å; P113-I116 HydrophobicContact CG-CG1 3.51Å; P113-Y154 VanDerWaalsContact CD-OH 3.29Å; P113-Y154 WeakPolarHBondContact CD-OH 3.46Å; P113-Y154 VanDerWaalsContact O-CE2 3.28Å; P113-Y154 WeakPolarHBondContact O-CE2 3.37Å; P113-Y154 PolarHBondContact O-OH 3.24Å
114D97Very high96.4Very high110 Ų11061.8 Ų61.859%0.58836%0.355SS*.SBendtrans-56.7-28.9-177.1-69.3-18.1000114.6R89 N90R89-D114 WeakPolarHBondContact CA-O 3.46Å; N90-D114 PolarHBondContact N-O 2.83Å
115C97.3Very high96.7Very high41 Ų4153.4 Ų53.428%0.27732%0.316SS..EExtended strand (participates in β ladder)trans-147.6137.3-176-1690000109.4C87 G88 P113C87-C115 VanDerWaalsContact CB-SG 3.53Å; C87-C115 PolarHBondContact SG-SG 2.97Å; G88-C115 WeakPolarHBondContact O-CA 3.4Å; P113-C115 PolarHBondContact O-N 2.87Å
116I98.1Very high96.9Very high26 Ų2651.1 Ų51.113%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-125.7126.8171.5-55.1172.8000107.7C87 G88 P113 Y154 L157 Y158C87-I116 CarbonylContact C-O 3.54Å; C87-I116 WeakPolarHBondContact CA-O 3.5Å; C87-I116 WeakPolarHBondContact CB-O 3.36Å; G88-I116 PolarHBondContact N-O 2.95Å; G88-I116 PolarHBondContact O-N 3.47Å; G88-I116 VanDerWaalsContact O-N 3.09Å; P113-I116 HydrophobicContact CG-CD1 3.76Å; P113-I116 HydrophobicContact CG-CG1 3.51Å; I116-Y154 HydrophobicContact CD1-CD2 4.21Å; I116-Y154 HydrophobicContact CD1-CE1 4.38Å; I116-Y154 HydrophobicContact CD1-CE2 3.63Å; I116-Y154 HydrophobicContact CG1-CD2 4.33Å; I116-Y154 HydrophobicContact CG1-CE2 3.72Å; I116-L157 HydrophobicContact CB-CB 4.14Å; I116-L157 HydrophobicContact CB-CD1 4.22Å; I116-L157 HydrophobicContact CD1-CB 4.49Å; I116-L157 HydrophobicContact CG2-CB 3.84Å; I116-L157 HydrophobicContact CG2-CD1 4.4Å; I116-L157 WeakPolarHBondContact O-CD1 3.37Å; I116-Y158 HydrophobicContact CD1-CD2 3.9Å; I116-Y158 HydrophobicContact CD1-CG 4.37Å
117D97.8Very high97.1Very high108 Ų10854.7 Ų54.758%0.57831%0.314SS*.EExtended strand (participates in β ladder)trans-86.7146.3173.4-68.9-3.5000109.6K86 C87K86-D117 WeakPolarHBondContact O-CA 3.24Å; C87-D117 WeakPolarHBondContact CB-OD1 3.48Å
118S97.6Very high97.2Very high14 Ų1458 Ų5810%0.09833%0.325CS..  trans-66.1146.5166.6-173.70000110.5K86 I120 Y153 G162 S164K86-S118 PolarHBondContact O-N 2.7Å; S118-I120 PolarHBondContact O-N 3.43Å; S118-I120 WeakPolarHBondContact OG-CB 3.48Å; S118-I120 PolarHBondContact OG-N 2.77Å; S118-Y153 WeakPolarHBondContact CB-OH 3.17Å; S118-G162 WeakPolarHBondContact CA-O 3.45Å; S118-G162 PolarHBondContact OG-O 2.91Å; S118-S164 WeakPolarHBondContact CB-O 3.39Å; S118-S164 PolarHBondContact OG-O 3.48Å
119V96.4Very high97.3Very high85 Ų8557.9 Ų57.952%0.51532%0.324SS..SBendtrans-69.2-12169.4-58.10000112.3G162 R163 L196V119-G162 PolarHBondContact N-O 2.92Å; V119-R163 HydrophobicContact CG2-CG 3.95Å; V119-L196 HydrophobicContact CG2-CD2 4.07Å
120I97.1Very high97.2Very high7 Ų759.8 Ų59.84%0.03634%0.338CS..SBendtrans-84124.5177.4-59.5165.4000109L69 S118 M122 V125 A165 M192 L196L69-I120 HydrophobicContact CD1-CD1 3.54Å; L69-I120 HydrophobicContact CD2-CD1 4.4Å; S118-I120 PolarHBondContact O-N 3.43Å; S118-I120 WeakPolarHBondContact OG-CB 3.48Å; S118-I120 PolarHBondContact OG-N 2.77Å; I120-M122 HydrophobicContact CB-CE 3.87Å; I120-M122 HydrophobicContact CB-SD 4.36Å; I120-M122 HydrophobicContact CD1-CE 4.41Å; I120-M122 HydrophobicContact CG2-CE 4.01Å; I120-M122 HydrophobicContact CG2-SD 3.89Å; I120-M122 PolarHBondContact O-N 2.86Å; I120-V125 HydrophobicContact CG2-CG2 3.78Å; I120-A165 HydrophobicContact CD1-CB 4.08Å; I120-M192 HydrophobicContact CD1-CB 4.19Å; I120-M192 HydrophobicContact CD1-CG 4.2Å; I120-M192 HydrophobicContact CD1-SD 4.17Å; I120-M192 HydrophobicContact CG2-CB 4.36Å; I120-M192 HydrophobicContact CG2-CG 3.85Å; I120-L196 HydrophobicContact CG1-CD2 4.37Å
121D97.3Very high97.3Very high72 Ų7256.2 Ų56.239%0.38534%0.335SS..  trans-7492.6171.8174.67.2000110.5E123 S124 V125 M195D121-E123 PolarHBondContact O-N 2.79Å; D121-E123 WeakPolarHBondContact OD1-CB 3.24Å; D121-E123 PolarHBondContact OD1-N 2.94Å; D121-S124 VanDerWaalsContact CG-CB 3.47Å; D121-S124 WeakPolarHBondContact O-CB 3.44Å; D121-S124 PolarHBondContact O-N 3.38Å; D121-S124 VanDerWaalsContact O-N 3.14Å; D121-S124 PolarHBondContact OD1-N 2.96Å; D121-S124 VanDerWaalsContact OD1-N 3.16Å; D121-S124 WeakPolarHBondContact OD2-CB 3.31Å; D121-S124 PolarHBondContact OD2-OG 2.88Å; D121-V125 WeakPolarHBondContact O-CG2 3.38Å; D121-V125 PolarHBondContact O-N 3.33Å; D121-M195 HydrophobicContact CB-CE 3.62Å
122M98.1Very high97.2Very high1 Ų155.6 Ų55.61%0.00532%0.317CS..Hα-helixtrans-60.1-27.5-179.8-60.4-56.3174.100113.4L84 K86 I120 C126 V140 A165 M192L84-M122 HydrophobicContact CB-CB 4.07Å; L84-M122 HydrophobicContact CB-CG 4.26Å; L84-M122 HydrophobicContact CB-SD 4.02Å; L84-M122 HydrophobicContact CD1-SD 4.42Å; K86-M122 HydrophobicContact CG-CB 3.95Å; K86-M122 HydrophobicContact CG-CG 4.1Å; I120-M122 HydrophobicContact CB-CE 3.87Å; I120-M122 HydrophobicContact CB-SD 4.36Å; I120-M122 HydrophobicContact CD1-CE 4.41Å; I120-M122 HydrophobicContact CG2-CE 4.01Å; I120-M122 HydrophobicContact CG2-SD 3.89Å; I120-M122 PolarHBondContact O-N 2.86Å; M122-C126 WeakPolarHBondContact O-CB 3.31Å; M122-C126 PolarHBondContact O-N 3.45Å; M122-V140 HydrophobicContact CB-CG1 3.93Å; M122-V140 HydrophobicContact CB-CG2 4.38Å; M122-V140 WeakPolarHBondContact O-CG2 3.32Å; M122-A165 HydrophobicContact CE-CB 3.7Å; M122-M192 HydrophobicContact CE-CE 4.12Å; M122-M192 HydrophobicContact SD-CE 3.71Å
123E98.2Very high97Very high94 Ų9458.2 Ų58.244%0.43934%0.344SS..Hα-helixtrans-69.5-44.3176.2-64.5-71-179.600110.6K86 D121 C126 K127K86-E123 WeakPolarHBondContact CE-OE1 3.39Å; K86-E123 VanDerWaalsContact NZ-CD 3.28Å; K86-E123 IonicContact NZ-OE1 2.75Å; K86-E123 PolarHBondContact NZ-OE1 3.37Å; D121-E123 PolarHBondContact O-N 2.79Å; D121-E123 WeakPolarHBondContact OD1-CB 3.24Å; D121-E123 PolarHBondContact OD1-N 2.94Å; E123-C126 PolarHBondContact O-N 3.29Å; E123-K127 VanDerWaalsContact O-CB 3.27Å; E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.83Å
124S97.9Very high96.7Very high29 Ų2957.4 Ų57.420%0.20334%0.336CS..Hα-helixtrans-59.4-45.8174.3-880000112.2D121 R128D121-S124 VanDerWaalsContact CG-CB 3.47Å; D121-S124 WeakPolarHBondContact O-CB 3.44Å; D121-S124 PolarHBondContact O-N 3.38Å; D121-S124 VanDerWaalsContact O-N 3.14Å; D121-S124 PolarHBondContact OD1-N 2.96Å; D121-S124 VanDerWaalsContact OD1-N 3.16Å; D121-S124 WeakPolarHBondContact OD2-CB 3.31Å; D121-S124 PolarHBondContact OD2-OG 2.88Å; S124-R128 VanDerWaalsContact CB-NH1 3.34Å; S124-R128 WeakPolarHBondContact O-CG 3.48Å; S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 VanDerWaalsContact O-N 3.1Å; S124-R128 PolarHBondContact OG-NH1 3.49Å
125V98.3Very high96.5Very high0 Ų055.5 Ų55.50%034%0.342CS..Hα-helixtrans-61.4-53176.6177.20000110.2L84 I120 D121 K127 R128 V129 I188 E191 M192 M195L84-V125 HydrophobicContact CD1-CB 3.94Å; L84-V125 HydrophobicContact CD1-CG1 3.68Å; I120-V125 HydrophobicContact CG2-CG2 3.78Å; D121-V125 WeakPolarHBondContact O-CG2 3.38Å; D121-V125 PolarHBondContact O-N 3.33Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.23Å; V125-R128 PolarHBondContact O-N 2.92Å; V125-V129 HydrophobicContact CG1-CG2 4.17Å; V125-V129 WeakPolarHBondContact O-CG2 3.29Å; V125-V129 PolarHBondContact O-N 3.11Å; V125-I188 HydrophobicContact CG1-CG2 4.1Å; V125-E191 HydrophobicContact CB-CG 4.39Å; V125-E191 HydrophobicContact CG1-CB 4.26Å; V125-E191 HydrophobicContact CG1-CG 4.16Å; V125-E191 HydrophobicContact CG2-CG 4.31Å; V125-M192 HydrophobicContact CG1-CE 4.48Å; V125-M192 HydrophobicContact CG1-CG 4.25Å; V125-M192 HydrophobicContact CG2-CG 3.95Å; V125-M195 HydrophobicContact CG2-SD 3.56Å; V125-M195 VanDerWaalsContact CG2-SD 3.56Å
126C98.2Very high96.5Very high14 Ų1454 Ų5410%0.09533%0.332CS..Hα-helixtrans-55.4-47.1-179.9-178.40000111.7L84 M122 E123 R128 T130 V138 V140L84-C126 HydrophobicContact CD1-CB 4.07Å; M122-C126 WeakPolarHBondContact O-CB 3.31Å; M122-C126 PolarHBondContact O-N 3.45Å; E123-C126 PolarHBondContact O-N 3.29Å; C126-R128 PolarHBondContact O-N 3.41Å; C126-T130 VanDerWaalsContact O-CB 3.24Å; C126-T130 WeakPolarHBondContact O-CB 3.45Å; C126-T130 PolarHBondContact O-N 3.49Å; C126-T130 PolarHBondContact O-OG1 3.34Å; C126-V138 HydrophobicContact CB-CG1 4.34Å; C126-V138 PolarHBondContact SG-O 2.79Å; C126-V138 VanDerWaalsContact SG-O 3.35Å; C126-V140 HydrophobicContact CB-CG2 3.44Å; C126-V140 VanDerWaalsContact CB-CG2 3.44Å
127K97.9Very high96.4Very high163 Ų16354.8 Ų54.871%0.70934%0.342SS*.Hα-helixtrans-59.8-45.6178.6-176.7179.1178.7-1800112.1E123 V125 A131E123-K127 VanDerWaalsContact O-CB 3.27Å; E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.83Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.23Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.9Å
128R97.6Very high96.4Very high80 Ų8050.4 Ų50.430%0.30232%0.319SS..Hα-helixtrans-73.9-39.1-176.4-72.3-165.5-70.9-81.2-0.8112.9S124 V125 C126 A131 S132 E191 M195S124-R128 VanDerWaalsContact CB-NH1 3.34Å; S124-R128 WeakPolarHBondContact O-CG 3.48Å; S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 VanDerWaalsContact O-N 3.1Å; S124-R128 PolarHBondContact OG-NH1 3.49Å; V125-R128 PolarHBondContact O-N 2.92Å; C126-R128 PolarHBondContact O-N 3.41Å; R128-A131 PolarHBondContact O-N 3.47Å; R128-S132 PolarHBondContact O-N 2.97Å; R128-S132 VanDerWaalsContact O-N 3.16Å; R128-E191 HydrophobicContact CB-CG 4.2Å; R128-E191 IonicContact CZ-OE1 3.14Å; R128-E191 VanDerWaalsContact NE-CD 3.26Å; R128-E191 IonicContact NE-OE1 2.65Å; R128-E191 PolarHBondContact NE-OE1 2.93Å; R128-E191 IonicContact NE-OE2 3.72Å; R128-E191 IonicContact NH2-OE1 2.75Å; R128-E191 PolarHBondContact NH2-OE1 2.91Å; R128-M195 PolarHBondContact NH2-SD 3.3Å
129V97.2Very high96.4Very high5 Ų551.7 Ų51.73%0.0333%0.328CS..Hα-helixtrans-65.7-41.4173.4176.10000110.9V125 A131 S132 L134 V138 A187 I188 E191V125-V129 HydrophobicContact CG1-CG2 4.17Å; V125-V129 WeakPolarHBondContact O-CG2 3.29Å; V125-V129 PolarHBondContact O-N 3.11Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.34Å; V129-S132 PolarHBondContact O-N 3.42Å; V129-S132 PolarHBondContact O-OG 3.24Å; V129-L134 HydrophobicContact CG1-CD2 4.11Å; V129-V138 HydrophobicContact CG1-CG2 3.88Å; V129-A187 HydrophobicContact CG1-CB 4.37Å; V129-I188 HydrophobicContact CG1-CG1 4.16Å; V129-I188 HydrophobicContact CG2-CG1 4.02Å; V129-E191 HydrophobicContact CG2-CB 4.24Å
130T95.5Very high96.5Very high80 Ų8049.4 Ų49.449%0.49131%0.314SS..Hα-helixtrans-62-41.9176-59.70000111.2C126 S132 G133C126-T130 VanDerWaalsContact O-CB 3.24Å; C126-T130 WeakPolarHBondContact O-CB 3.45Å; C126-T130 PolarHBondContact O-N 3.49Å; C126-T130 PolarHBondContact O-OG1 3.34Å; T130-S132 PolarHBondContact O-N 3.32Å; T130-G133 PolarHBondContact O-N 2.8Å
131A95.8Very high96.5Very high85 Ų8550.6 Ų50.670%0.70232%0.323SS*.Hα-helixtrans-67.9-18.8178.400000113.9K127 R128 V129 G133K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.9Å; R128-A131 PolarHBondContact O-N 3.47Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.34Å; A131-G133 PolarHBondContact O-N 3.14Å
132S94.1Very high96.4Very high78 Ų7853.6 Ų53.655%0.54533%0.333SS..THydrogen-bonded Turntrans-75.4-8.6179.185.20000113.6R128 V129 T130R128-S132 PolarHBondContact O-N 2.97Å; R128-S132 VanDerWaalsContact O-N 3.16Å; V129-S132 PolarHBondContact O-N 3.42Å; V129-S132 PolarHBondContact O-OG 3.24Å; T130-S132 PolarHBondContact O-N 3.32Å
133G92.3Very high96.1Very high64 Ų6457.6 Ų57.666%0.6635%0.354SS*.THydrogen-bonded Turntrans71.827.617800000114.2T130 A131 G135T130-G133 PolarHBondContact O-N 2.8Å; A131-G133 PolarHBondContact O-N 3.14Å; G133-G135 PolarHBondContact O-N 2.99Å
134L91.1Very high95.7Very high50 Ų5053.3 Ų53.326%0.26234%0.335SS..  trans-57.6-19.4-175.9-175.269.3000114.7V129 V136 R183 A184 A187V129-L134 HydrophobicContact CG1-CD2 4.11Å; L134-V136 HydrophobicContact CD2-CB 4.13Å; L134-V136 HydrophobicContact CD2-CG2 4.47Å; L134-V136 HydrophobicContact CG-CB 4.46Å; L134-V136 PolarHBondContact O-N 3.1Å; L134-R183 HydrophobicContact CD1-CB 4.28Å; L134-A184 VanDerWaalsContact CD2-CA 3.45Å; L134-A184 HydrophobicContact CD2-CB 3.77Å; L134-A187 HydrophobicContact CD1-CB 4.44Å; L134-A187 HydrophobicContact CD2-CB 4.18Å
135G93.4Very high95.4Very high69 Ų6953.4 Ų53.471%0.71134%0.34SS*.SBendtrans80.40.7-17700000114.4G133G133-G135 PolarHBondContact O-N 2.99Å
136V96.1Very high95.2Very high11 Ų1157.5 Ų57.57%0.06736%0.355CS..SBendtrans-109127.9172.5177.70000108.9V82 L134 Y176 D180 A184V82-V136 HydrophobicContact CB-CG1 4.33Å; V82-V136 HydrophobicContact CG2-CG1 3.58Å; L134-V136 HydrophobicContact CD2-CB 4.13Å; L134-V136 HydrophobicContact CD2-CG2 4.47Å; L134-V136 HydrophobicContact CG-CB 4.46Å; L134-V136 PolarHBondContact O-N 3.1Å; V136-Y176 HydrophobicContact CB-CE1 4.3Å; V136-Y176 HydrophobicContact CG1-CD2 4.01Å; V136-Y176 HydrophobicContact CG1-CE1 4.31Å; V136-Y176 HydrophobicContact CG1-CE2 3.76Å; V136-Y176 HydrophobicContact CG1-CG 4.42Å; V136-Y176 HydrophobicContact CG2-CD1 3.99Å; V136-Y176 HydrophobicContact CG2-CE1 4.09Å; V136-Y176 HydrophobicContact CG2-CG 4.36Å; V136-D180 HydrophobicContact CG2-CB 4.08Å; V136-A184 HydrophobicContact CB-CB 4.17Å; V136-A184 HydrophobicContact CG1-CB 3.92Å; V136-A184 HydrophobicContact CG2-CB 4.27Å
137A97.2Very high95Very high42 Ų4259.2 Ų59.235%0.34736%0.36SS..  trans-73128175.700000109.5T81 V82 Y176T81-A137 WeakPolarHBondContact CA-O 3.19Å; T81-A137 WeakPolarHBondContact CB-O 3.28Å; T81-A137 HydrophobicContact CG2-CB 3.74Å; V82-A137 PolarHBondContact N-O 3.41Å; A137-Y176 WeakPolarHBondContact CB-OH 3.22Å; A137-Y176 PolarHBondContact N-OH 3.41Å
138V97.8Very high95Very high16 Ų1651.6 Ų51.610%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-116.5139.1177.1-172.40000108.9V82 L84 C126 V129 I188V82-V138 HydrophobicContact CB-CG2 4.48Å; V82-V138 CarbonylContact O-C 3.55Å; V82-V138 WeakPolarHBondContact O-CA 3.2Å; L84-V138 HydrophobicContact CD1-CG1 4.08Å; L84-V138 HydrophobicContact CD2-CG1 4.27Å; L84-V138 HydrophobicContact CG-CG1 3.89Å; C126-V138 HydrophobicContact CB-CG1 4.34Å; C126-V138 PolarHBondContact SG-O 2.79Å; C126-V138 VanDerWaalsContact SG-O 3.35Å; V129-V138 HydrophobicContact CG1-CG2 3.88Å; V138-I188 HydrophobicContact CG1-CD1 4.44Å; V138-I188 HydrophobicContact CG2-CD1 4.4Å
139S97.5Very high94.9Very high40 Ų4048.9 Ų48.928%0.2832%0.32SS..EExtended strand (participates in β ladder)trans-136.5174.2176.569.50000110.9T81 V82 T83 L84T81-S139 PolarHBondContact OG1-OG 3.36Å; V82-S139 PolarHBondContact O-N 3.34Å; T83-S139 CarbonylContact C-O 3.57Å; T83-S139 WeakPolarHBondContact CA-O 3.49Å; T83-S139 PolarHBondContact OG1-OG 2.82Å; L84-S139 PolarHBondContact N-O 2.62Å
140V98.1Very high94.9Very high37 Ų3748.6 Ų48.622%0.22432%0.319CS..EExtended strand (participates in β ladder)trans-124.9139.5-179.3-176.20000109.7L84 K86 M122 C126L84-V140 HydrophobicContact CB-CG2 4.5Å; L84-V140 WeakPolarHBondContact O-CA 3.29Å; K86-V140 HydrophobicContact CD-CG1 3.54Å; K86-V140 VanDerWaalsContact CE-CG1 3.5Å; K86-V140 HydrophobicContact CG-CG1 3.5Å; M122-V140 HydrophobicContact CB-CG1 3.93Å; M122-V140 HydrophobicContact CB-CG2 4.38Å; M122-V140 WeakPolarHBondContact O-CG2 3.32Å; C126-V140 HydrophobicContact CB-CG2 3.44Å; C126-V140 VanDerWaalsContact CB-CG2 3.44Å
141S97.3Very high95.1Very high33 Ų3344.8 Ų44.823%0.23130%0.295CS..EExtended strand (participates in β ladder)trans-129160.7178.31710000111.1T83 L84 E85 K86 D143T83-S141 VanDerWaalsContact CG2-CB 3.41Å; L84-S141 PolarHBondContact O-N 2.91Å; E85-S141 WeakPolarHBondContact OE2-CB 3.49Å; E85-S141 PolarHBondContact OE2-OG 3.02Å; K86-S141 WeakPolarHBondContact CB-O 3.37Å; K86-S141 WeakPolarHBondContact CG-O 3.13Å; K86-S141 PolarHBondContact N-O 2.86Å; S141-D143 PolarHBondContact OG-N 2.83Å; S141-D143 VanDerWaalsContact OG-N 3.11Å; S141-D143 PolarHBondContact OG-O 2.7Å
142K94.2Very high95.2Very high135 Ų13540.8 Ų40.859%0.58726%0.262SS*.SBendtrans-118.216.7174.2-63.4-173.5-179.3-174.90111.8K86 C87K86-K142 HydrophobicContact CB-CG 4.23Å; K86-K142 HydrophobicContact CD-CD 4.5Å; K86-K142 HydrophobicContact CD-CG 3.77Å; C87-K142 PolarHBondContact SG-O 3.35Å
143D91.6Very high95.4Very high84 Ų8437 Ų3745%0.44924%0.236SC..  trans-148.298.1-176.9-166.6-2.3000109.8E85 S141 G145 R146E85-D143 VanDerWaalsContact OE2-C 3.23Å; E85-D143 PolarHBondContact OE2-N 2.82Å; S141-D143 PolarHBondContact OG-N 2.83Å; S141-D143 VanDerWaalsContact OG-N 3.11Å; S141-D143 PolarHBondContact OG-O 2.7Å; D143-G145 PolarHBondContact O-N 3.19Å; D143-G145 WeakPolarHBondContact OD1-CA 3.29Å; D143-G145 PolarHBondContact OD1-N 2.83Å; D143-R146 IonicContact OD1-CZ 2.56Å; D143-R146 IonicContact OD1-NH1 3.1Å; D143-R146 PolarHBondContact OD1-NH1 3.13Å
144A91.7Very high95.7Very high5 Ų534 Ų344%0.04121%0.205CC..  trans-76.68.1174.800000112.7E85 D150 Y153 H168E85-A144 HydrophobicContact CB-CB 4.17Å; E85-A144 HydrophobicContact CG-CB 3.74Å; E85-A144 PolarHBondContact OE2-N 2.87Å; A144-D150 HydrophobicContact CB-CB 3.88Å; A144-Y153 HydrophobicContact CB-CD1 4.27Å; A144-H168 PolarHBondContact O-CE1 3.26Å
145G90.6Very high96Very high30 Ų3031.9 Ų31.931%0.30919%0.194SC..  trans90.2-162.1-175.700000112.5D143 D150D143-G145 PolarHBondContact O-N 3.19Å; D143-G145 WeakPolarHBondContact OD1-CA 3.29Å; D143-G145 PolarHBondContact OD1-N 2.83Å; G145-D150 WeakPolarHBondContact O-CB 3.49Å; G145-D150 VanDerWaalsContact O-CG 3.25Å
146R93.6Very high96.3Very high86 Ų8628.6 Ų28.633%0.32516%0.16SC..SBendtrans-137.552.9178.1-65.9-62.1-175.4-71-14.9111.5R89 L91 D143R89-R146 VanDerWaalsContact CG-CZ 3.42Å; L91-R146 WeakPolarHBondContact O-CD 3.35Å; L91-R146 PolarHBondContact O-NE 3.44Å; D143-R146 IonicContact OD1-CZ 2.56Å; D143-R146 IonicContact OD1-NH1 3.1Å; D143-R146 PolarHBondContact OD1-NH1 3.13Å
147Y94.9Very high96.4Very high51 Ų5128.1 Ų28.120%0.216%0.157CC..SBendtrans-144.7-158.9179.8-167.3-123000110F16 V49 Y51 L96 D97 C149 D150 F151F16-Y147 HydrophobicContact CD2-CE1 4.46Å; F16-Y147 HydrophobicContact CE1-CE1 4.13Å; F16-Y147 HydrophobicContact CE2-CE1 4.13Å; F16-Y147 AromaticContact CE2-CZ 3.83Å; F16-Y147 WeakPolarHBondContact CE2-OH 3.2Å; F16-Y147 AromaticContact CZ-CE1 3.93Å; F16-Y147 HydrophobicContact CZ-CE1 3.93Å; F16-Y147 AromaticContact CZ-CZ 3.77Å; F16-Y147 WeakPolarHBondContact CZ-OH 3.18Å; V49-Y147 HydrophobicContact CG1-CE1 3.73Å; Y51-Y147 HydrophobicContact CE2-CE2 4.47Å; Y51-Y147 WeakPolarHBondContact OH-CD2 3.36Å; L96-Y147 PolarHBondContact O-OH 2.74Å; D97-Y147 WeakPolarHBondContact CA-OH 3.49Å; Y147-C149 VanDerWaalsContact C-N 3.26Å; Y147-C149 PolarHBondContact O-N 2.84Å; Y147-D150 PolarHBondContact O-N 3.1Å; Y147-F151 WeakPolarHBondContact O-CB 3.48Å; Y147-F151 PolarHBondContact O-N 3.03Å
148L96.6Very high96.4Very high2 Ų230.8 Ų30.81%0.0116%0.159CC..Hα-helixtrans-61.2-28.7-172.9-88.8-69.6000114.5F13 V49 Y51 V54 D97 T152F13-L148 HydrophobicContact CE1-CB 4.15Å; V49-L148 HydrophobicContact CG1-CB 4.02Å; V49-L148 HydrophobicContact CG1-CD2 4.46Å; V49-L148 HydrophobicContact CG1-CG 3.83Å; Y51-L148 HydrophobicContact CD1-CD1 4.09Å; Y51-L148 HydrophobicContact CD1-CD2 3.85Å; Y51-L148 HydrophobicContact CD2-CD2 3.86Å; Y51-L148 HydrophobicContact CE1-CD1 4.48Å; Y51-L148 HydrophobicContact CE1-CD2 3.54Å; Y51-L148 HydrophobicContact CE2-CD2 3.54Å; Y51-L148 HydrophobicContact CG-CD1 4.27Å; Y51-L148 HydrophobicContact CG-CD2 4.01Å; V54-L148 HydrophobicContact CG2-CD1 3.68Å; D97-L148 HydrophobicContact CB-CD2 4.2Å; L148-T152 WeakPolarHBondContact O-CB 3.33Å; L148-T152 PolarHBondContact O-N 3.47Å; L148-T152 PolarHBondContact O-OG1 3.17Å
149C96.8Very high96.3Very high23 Ų2333.4 Ų33.416%0.15517%0.172CC..Hα-helixtrans-58.6-61.7172.9-64.70000111.1Y147 F151 T152 Y153 F166 H168Y147-C149 VanDerWaalsContact C-N 3.26Å; Y147-C149 PolarHBondContact O-N 2.84Å; C149-F151 PolarHBondContact O-N 2.94Å; C149-T152 PolarHBondContact O-N 2.8Å; C149-Y153 WeakPolarHBondContact O-CB 3.46Å; C149-Y153 PolarHBondContact O-N 2.93Å; C149-F166 HydrophobicContact CB-CE1 3.84Å; C149-F166 HydrophobicContact CB-CE2 3.92Å; C149-F166 HydrophobicContact CB-CZ 3.32Å; C149-F166 WeakPolarHBondContact O-CD2 3.14Å; C149-F166 WeakPolarHBondContact O-CE2 3.34Å; C149-H168 PolarHBondContact SG-NE2 2.94Å; C149-H168 VanDerWaalsContact SG-NE2 3.4Å
150D97.9Very high96.2Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-64.1-38.3179.4-177.663.7000112.4G88 R89 Y93 A144 G145 Y147 T152 Y153 Y154G88-D150 WeakPolarHBondContact CA-OD1 3.39Å; R89-D150 PolarHBondContact N-OD1 2.92Å; R89-D150 PolarHBondContact N-OD2 3.02Å; R89-D150 VanDerWaalsContact O-OD2 3.04Å; Y93-D150 HydrophobicContact CE1-CB 4.35Å; Y93-D150 PolarHBondContact OH-OD2 2.79Å; A144-D150 HydrophobicContact CB-CB 3.88Å; G145-D150 WeakPolarHBondContact O-CB 3.49Å; G145-D150 VanDerWaalsContact O-CG 3.25Å; Y147-D150 PolarHBondContact O-N 3.1Å; D150-T152 PolarHBondContact O-N 2.92Å; D150-Y153 PolarHBondContact O-N 2.97Å; D150-Y154 VanDerWaalsContact O-CB 3.29Å; D150-Y154 WeakPolarHBondContact O-CB 3.46Å; D150-Y154 PolarHBondContact O-N 2.9Å
151F98.3Very high95.9Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-62.4-44.6177.5-170.8-83.6000111.9Y51 V54 Q55 Y93 P103 C108 Y147 C149 T155Y51-F151 HydrophobicContact CD1-CB 4.16Å; Y51-F151 AromaticContact CD1-CD1 3.81Å; Y51-F151 HydrophobicContact CD1-CD1 3.81Å; Y51-F151 AromaticContact CD1-CD2 3.45Å; Y51-F151 HydrophobicContact CD1-CD2 3.45Å; Y51-F151 VanDerWaalsContact CD1-CD2 3.45Å; Y51-F151 HydrophobicContact CD1-CE1 4Å; Y51-F151 AromaticContact CD1-CE2 3.61Å; Y51-F151 HydrophobicContact CD1-CE2 3.61Å; Y51-F151 AromaticContact CD1-CG 3.54Å; Y51-F151 HydrophobicContact CD1-CG 3.54Å; Y51-F151 AromaticContact CD1-CZ 3.91Å; Y51-F151 HydrophobicContact CD1-CZ 3.91Å; Y51-F151 HydrophobicContact CE1-CB 4.01Å; Y51-F151 HydrophobicContact CE1-CD1 4.49Å; Y51-F151 AromaticContact CE1-CD2 3.61Å; Y51-F151 HydrophobicContact CE1-CD2 3.61Å; Y51-F151 HydrophobicContact CE1-CE2 4.14Å; Y51-F151 AromaticContact CE1-CG 3.8Å; Y51-F151 HydrophobicContact CE1-CG 3.8Å; V54-F151 HydrophobicContact CB-CD1 4.29Å; V54-F151 HydrophobicContact CB-CE1 4.36Å; V54-F151 HydrophobicContact CG1-CD1 3.82Å; V54-F151 HydrophobicContact CG1-CE1 4.06Å; Q55-F151 HydrophobicContact CG-CE1 3.84Å; Q55-F151 HydrophobicContact CG-CZ 3.92Å; Y93-F151 HydrophobicContact CD1-CB 4.2Å; Y93-F151 HydrophobicContact CD1-CD2 4.14Å; Y93-F151 AromaticContact CD2-CD2 3.99Å; Y93-F151 HydrophobicContact CD2-CD2 3.99Å; Y93-F151 HydrophobicContact CE1-CB 3.61Å; Y93-F151 HydrophobicContact CE1-CD2 4.02Å; Y93-F151 HydrophobicContact CE1-CG 4.32Å; Y93-F151 AromaticContact CE2-CD2 3.83Å; Y93-F151 HydrophobicContact CE2-CD2 3.83Å; Y93-F151 HydrophobicContact CG-CD2 4.13Å; Y93-F151 AromaticContact CZ-CD2 3.83Å; Y93-F151 VanDerWaalsContact OH-CA 3.29Å; Y93-F151 WeakPolarHBondContact OH-CA 3.28Å; Y93-F151 PolarHBondContact OH-N 3.48Å; P103-F151 HydrophobicContact CG-CE2 3.95Å; C108-F151 HydrophobicContact CB-CD2 3.8Å; C108-F151 HydrophobicContact CB-CE2 3.85Å; C108-F151 HydrophobicContact CB-CG 4.5Å; C108-F151 PolarHBondContact SG-O 3.36Å; Y147-F151 WeakPolarHBondContact O-CB 3.48Å; Y147-F151 PolarHBondContact O-N 3.03Å; C149-F151 PolarHBondContact O-N 2.94Å; F151-T155 VanDerWaalsContact O-CB 3.31Å; F151-T155 WeakPolarHBondContact O-CB 3.09Å; F151-T155 PolarHBondContact O-N 3.27Å; F151-T155 PolarHBondContact O-OG1 2.85Å
152T98.4Very high95.7Very high0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-64.4-43.4175.3-58.50000110.7F13 V54 V58 H72 L148 C149 D150 S156F13-T152 HydrophobicContact CZ-CG2 4.26Å; F13-T152 WeakPolarHBondContact CZ-OG1 3.48Å; V54-T152 HydrophobicContact CG1-CG2 4.21Å; V54-T152 WeakPolarHBondContact CG1-OG1 3.4Å; V54-T152 VanDerWaalsContact CG2-OG1 3.29Å; V54-T152 WeakPolarHBondContact CG2-OG1 3.48Å; V58-T152 HydrophobicContact CG2-CG2 4.01Å; H72-T152 HydrophobicContact CB-CG2 4.31Å; H72-T152 WeakPolarHBondContact ND1-CG2 3.3Å; L148-T152 WeakPolarHBondContact O-CB 3.33Å; L148-T152 PolarHBondContact O-N 3.47Å; L148-T152 PolarHBondContact O-OG1 3.17Å; C149-T152 PolarHBondContact O-N 2.8Å; D150-T152 PolarHBondContact O-N 2.92Å; T152-S156 WeakPolarHBondContact O-CB 3.24Å; T152-S156 PolarHBondContact O-N 3.39Å
153Y98.5Very high95.7Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-61.3-53178.7-172.3-158.9000111.9E85 C87 S118 A144 C149 D150 T155 S156 L157 F166E85-Y153 HydrophobicContact CB-CD1 4.21Å; E85-Y153 HydrophobicContact CB-CE1 3.7Å; E85-Y153 PolarHBondContact O-OH 3.36Å; C87-Y153 VanDerWaalsContact C-CE1 3.42Å; S118-Y153 WeakPolarHBondContact CB-OH 3.17Å; A144-Y153 HydrophobicContact CB-CD1 4.27Å; C149-Y153 WeakPolarHBondContact O-CB 3.46Å; C149-Y153 PolarHBondContact O-N 2.93Å; D150-Y153 PolarHBondContact O-N 2.97Å; Y153-T155 PolarHBondContact O-N 2.89Å; Y153-S156 WeakPolarHBondContact O-CB 3.06Å; Y153-S156 PolarHBondContact O-N 2.68Å; Y153-S156 VanDerWaalsContact O-N 3.16Å; Y153-L157 HydrophobicContact CD1-CD1 4.04Å; Y153-L157 HydrophobicContact CD2-CD1 3.63Å; Y153-L157 HydrophobicContact CD2-CD2 4.3Å; Y153-L157 HydrophobicContact CD2-CG 3.63Å; Y153-L157 HydrophobicContact CE1-CD1 3.9Å; Y153-L157 HydrophobicContact CE2-CD1 3.44Å; Y153-L157 VanDerWaalsContact CE2-CD1 3.44Å; Y153-L157 HydrophobicContact CE2-CD2 3.61Å; Y153-L157 HydrophobicContact CE2-CG 3.43Å; Y153-L157 VanDerWaalsContact CE2-CG 3.43Å; Y153-L157 HydrophobicContact CG-CD1 3.94Å; Y153-L157 HydrophobicContact CG-CG 4.39Å; Y153-L157 WeakPolarHBondContact O-CB 3.29Å; Y153-L157 WeakPolarHBondContact O-CG 3.46Å; Y153-L157 PolarHBondContact O-N 3.35Å; Y153-F166 HydrophobicContact CD1-CB 3.6Å; Y153-F166 HydrophobicContact CD1-CG 4.41Å; Y153-F166 HydrophobicContact CD2-CB 3.67Å; Y153-F166 HydrophobicContact CE1-CB 3.89Å; Y153-F166 HydrophobicContact CE2-CB 3.99Å; Y153-F166 HydrophobicContact CG-CB 3.46Å; Y153-F166 VanDerWaalsContact CG-CB 3.46Å; Y153-F166 HydrophobicContact CG-CD2 4.2Å; Y153-F166 HydrophobicContact CG-CG 4.17Å
154Y98.6Very high96Very high0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-61.1-45-179.3-177.9-81.9000111.4R89 N90 C108 I109 G112 P113 I116 D150 S156 L157 Y158R89-Y154 VanDerWaalsContact C-CD2 3.43Å; N90-Y154 HydrophobicContact CB-CD2 4.24Å; N90-Y154 HydrophobicContact CB-CE1 4.04Å; N90-Y154 HydrophobicContact CB-CE2 3.52Å; N90-Y154 VanDerWaalsContact CB-CZ 3.41Å; N90-Y154 WeakPolarHBondContact CB-OH 3.41Å; N90-Y154 VanDerWaalsContact CG-CZ 3.44Å; N90-Y154 VanDerWaalsContact CG-OH 3.29Å; N90-Y154 VanDerWaalsContact OD1-CE1 3.28Å; N90-Y154 WeakPolarHBondContact OD1-CE1 3.27Å; C108-Y154 HydrophobicContact CB-CD1 3.5Å; C108-Y154 VanDerWaalsContact CB-CD1 3.5Å; C108-Y154 HydrophobicContact CB-CE1 4Å; C108-Y154 HydrophobicContact CB-CG 4.22Å; C108-Y154 VanDerWaalsContact SG-CD1 3.56Å; I109-Y154 HydrophobicContact CB-CE1 3.94Å; I109-Y154 HydrophobicContact CG1-CD1 4.19Å; I109-Y154 HydrophobicContact CG1-CE1 3.69Å; G112-Y154 WeakPolarHBondContact CA-OH 3.43Å; P113-Y154 VanDerWaalsContact CD-OH 3.29Å; P113-Y154 WeakPolarHBondContact CD-OH 3.46Å; P113-Y154 VanDerWaalsContact O-CE2 3.28Å; P113-Y154 WeakPolarHBondContact O-CE2 3.37Å; P113-Y154 PolarHBondContact O-OH 3.24Å; I116-Y154 HydrophobicContact CD1-CD2 4.21Å; I116-Y154 HydrophobicContact CD1-CE1 4.38Å; I116-Y154 HydrophobicContact CD1-CE2 3.63Å; I116-Y154 HydrophobicContact CG1-CD2 4.33Å; I116-Y154 HydrophobicContact CG1-CE2 3.72Å; D150-Y154 VanDerWaalsContact O-CB 3.29Å; D150-Y154 WeakPolarHBondContact O-CB 3.46Å; D150-Y154 PolarHBondContact O-N 2.9Å; Y154-S156 VanDerWaalsContact C-N 3.28Å; Y154-S156 PolarHBondContact O-N 3.46Å; Y154-L157 PolarHBondContact O-N 2.75Å; Y154-Y158 WeakPolarHBondContact O-CB 3.42Å; Y154-Y158 PolarHBondContact O-N 3.24Å
155T98.1Very high96.3Very high6 Ų630.7 Ų30.74%0.03714%0.143CC..Hα-helixtrans-53.9-48.4174.4-60.30000110.6V58 C108 F151 Y153 Y158 L159V58-T155 HydrophobicContact CB-CG2 4.14Å; V58-T155 HydrophobicContact CG1-CG2 4.13Å; C108-T155 PolarHBondContact SG-OG1 2.78Å; F151-T155 VanDerWaalsContact O-CB 3.31Å; F151-T155 WeakPolarHBondContact O-CB 3.09Å; F151-T155 PolarHBondContact O-N 3.27Å; F151-T155 PolarHBondContact O-OG1 2.85Å; Y153-T155 PolarHBondContact O-N 2.89Å; T155-Y158 PolarHBondContact O-N 2.96Å; T155-L159 HydrophobicContact CG2-CD1 3.89Å; T155-L159 WeakPolarHBondContact O-CD1 3.31Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.19Å; T155-L159 PolarHBondContact O-N 2.9Å; T155-L159 VanDerWaalsContact O-N 3.16Å
156S98.3Very high96.7Very high0 Ų029.2 Ų29.20%013%0.128CC..Hα-helixtrans-65.8-45.9-178.6-161.30000112W62 H72 T152 Y153 Y154 Y158 L159 S160 S164W62-S156 PolarHBondContact NE1-OG 2.86Å; H72-S156 WeakPolarHBondContact NE2-CB 3.38Å; H72-S156 PolarHBondContact NE2-OG 3.14Å; T152-S156 WeakPolarHBondContact O-CB 3.24Å; T152-S156 PolarHBondContact O-N 3.39Å; Y153-S156 WeakPolarHBondContact O-CB 3.06Å; Y153-S156 PolarHBondContact O-N 2.68Å; Y153-S156 VanDerWaalsContact O-N 3.16Å; Y154-S156 VanDerWaalsContact C-N 3.28Å; Y154-S156 PolarHBondContact O-N 3.46Å; S156-Y158 VanDerWaalsContact C-N 3.35Å; S156-Y158 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 3.38Å; S156-S160 WeakPolarHBondContact O-CB 3.49Å; S156-S160 PolarHBondContact O-N 2.75Å; S156-S160 PolarHBondContact O-OG 3.4Å; S156-S164 VanDerWaalsContact C-OG 3.24Å; S156-S164 WeakPolarHBondContact CB-OG 3.38Å; S156-S164 PolarHBondContact O-OG 3.13Å; S156-S164 WeakPolarHBondContact OG-CB 3.43Å; S156-S164 PolarHBondContact OG-OG 3.12Å
157L98.3Very high97Very high0 Ų025.1 Ų25.10%011%0.112CC..Hα-helixtrans-59-43.9176.7-75.2169.5000112.3I116 Y153 Y154 S160 H161 G162I116-L157 HydrophobicContact CB-CB 4.14Å; I116-L157 HydrophobicContact CB-CD1 4.22Å; I116-L157 HydrophobicContact CD1-CB 4.49Å; I116-L157 HydrophobicContact CG2-CB 3.84Å; I116-L157 HydrophobicContact CG2-CD1 4.4Å; I116-L157 WeakPolarHBondContact O-CD1 3.37Å; Y153-L157 HydrophobicContact CD1-CD1 4.04Å; Y153-L157 HydrophobicContact CD2-CD1 3.63Å; Y153-L157 HydrophobicContact CD2-CD2 4.3Å; Y153-L157 HydrophobicContact CD2-CG 3.63Å; Y153-L157 HydrophobicContact CE1-CD1 3.9Å; Y153-L157 HydrophobicContact CE2-CD1 3.44Å; Y153-L157 VanDerWaalsContact CE2-CD1 3.44Å; Y153-L157 HydrophobicContact CE2-CD2 3.61Å; Y153-L157 HydrophobicContact CE2-CG 3.43Å; Y153-L157 VanDerWaalsContact CE2-CG 3.43Å; Y153-L157 HydrophobicContact CG-CD1 3.94Å; Y153-L157 HydrophobicContact CG-CG 4.39Å; Y153-L157 WeakPolarHBondContact O-CB 3.29Å; Y153-L157 WeakPolarHBondContact O-CG 3.46Å; Y153-L157 PolarHBondContact O-N 3.35Å; Y154-L157 PolarHBondContact O-N 2.75Å; L157-S160 PolarHBondContact O-N 3.18Å; L157-H161 PolarHBondContact O-N 3.23Å; L157-G162 PolarHBondContact O-N 3.35Å
158Y97.9Very high97.1Very high98 Ų9823.5 Ų23.538%0.38411%0.106SC..Hα-helixtrans-62.5-45.2179.8-176.5-94.3000111.6I109 I116 Y154 T155 S156I109-Y158 HydrophobicContact CG1-CD1 4.22Å; I109-Y158 HydrophobicContact CG1-CG 4.24Å; I109-Y158 HydrophobicContact CG2-CD1 4.35Å; I109-Y158 HydrophobicContact CG2-CE1 3.98Å; I109-Y158 HydrophobicContact CG2-CE2 4.18Å; I116-Y158 HydrophobicContact CD1-CD2 3.9Å; I116-Y158 HydrophobicContact CD1-CG 4.37Å; Y154-Y158 WeakPolarHBondContact O-CB 3.42Å; Y154-Y158 PolarHBondContact O-N 3.24Å; T155-Y158 PolarHBondContact O-N 2.96Å; S156-Y158 VanDerWaalsContact C-N 3.35Å; S156-Y158 PolarHBondContact O-N 2.92Å
159L96.1Very high97.2Very high72 Ų7223.4 Ų23.438%0.37711%0.106SC..Hα-helixtrans-72.1-29.6-179.3-66.2168.5000113.3V58 P59 T155 S156V58-L159 HydrophobicContact CG1-CD1 4.11Å; P59-L159 HydrophobicContact CB-CD1 4.21Å; P59-L159 HydrophobicContact CG-CD1 3.74Å; T155-L159 HydrophobicContact CG2-CD1 3.89Å; T155-L159 WeakPolarHBondContact O-CD1 3.31Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.19Å; T155-L159 PolarHBondContact O-N 2.9Å; T155-L159 VanDerWaalsContact O-N 3.16Å; S156-L159 PolarHBondContact O-N 3.38Å
160S94.3Very high97.1Very high2 Ų222.3 Ų22.31%0.01410%0.099CC..Hα-helixtrans-98.11-17172.90000114.6S156 L157 G162 R163 S164S156-S160 WeakPolarHBondContact O-CB 3.49Å; S156-S160 PolarHBondContact O-N 2.75Å; S156-S160 PolarHBondContact O-OG 3.4Å; L157-S160 PolarHBondContact O-N 3.18Å; S160-G162 PolarHBondContact O-N 2.99Å; S160-G162 PolarHBondContact OG-N 2.99Å; S160-R163 PolarHBondContact O-N 3.2Å; S160-R163 PolarHBondContact O-NE 3.45Å; S160-R163 PolarHBondContact OG-N 2.87Å; S160-S164 PolarHBondContact OG-OG 3.3Å
161H92.6Very high96.9Very high160 Ų16024 Ų2474%0.74111%0.11SC*.THydrogen-bonded Turntrans52.944.4-167.7-56.4-68.9000111.8L157L157-H161 PolarHBondContact O-N 3.23Å
162G93.3Very high96.6Very high2 Ų226.9 Ų26.92%0.02113%0.125CC..THydrogen-bonded Turntrans85.41.1176.300000115.7S118 V119 L157 S160 S164S118-G162 WeakPolarHBondContact CA-O 3.45Å; S118-G162 PolarHBondContact OG-O 2.91Å; V119-G162 PolarHBondContact N-O 2.92Å; L157-G162 PolarHBondContact O-N 3.35Å; S160-G162 PolarHBondContact O-N 2.99Å; S160-G162 PolarHBondContact OG-N 2.99Å; G162-S164 PolarHBondContact O-N 3.41Å
163R93.6Very high96.1Very high112 Ų11230.4 Ų30.442%0.42315%0.154SC..  trans-78.543.7176.1-66.6-176.6-66.8-168.43113.7W62 V119 S160W62-R163 HydrophobicContact CH2-CB 4.09Å; W62-R163 VanDerWaalsContact CH2-O 3.25Å; W62-R163 WeakPolarHBondContact CH2-O 3.44Å; W62-R163 WeakPolarHBondContact CZ2-O 3.28Å; V119-R163 HydrophobicContact CG2-CG 3.95Å; S160-R163 PolarHBondContact O-N 3.2Å; S160-R163 PolarHBondContact O-NE 3.45Å; S160-R163 PolarHBondContact OG-N 2.87Å
164S97.9Very high95.6Very high0 Ų037.7 Ų37.70%019%0.185CC..EExtended strand (participates in β ladder)trans-132.7154.2175.6-53.80000110.2W62 V70 S118 S156 S160 G162W62-S164 WeakPolarHBondContact CZ2-OG 3.46Å; V70-S164 CarbonylContact O-C 3.4Å; V70-S164 VanDerWaalsContact O-CA 3.3Å; V70-S164 WeakPolarHBondContact O-CA 3.37Å; S118-S164 WeakPolarHBondContact CB-O 3.39Å; S118-S164 PolarHBondContact OG-O 3.48Å; S156-S164 VanDerWaalsContact C-OG 3.24Å; S156-S164 WeakPolarHBondContact CB-OG 3.38Å; S156-S164 PolarHBondContact O-OG 3.13Å; S156-S164 WeakPolarHBondContact OG-CB 3.43Å; S156-S164 PolarHBondContact OG-OG 3.12Å; S160-S164 PolarHBondContact OG-OG 3.3Å; G162-S164 PolarHBondContact O-N 3.41Å
165A98.5Very high95.3Very high0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-128.3154.717200000110.4V70 V71 H72 I120 M122 M192V70-A165 PolarHBondContact O-N 2.65Å; V71-A165 WeakPolarHBondContact CA-O 3.49Å; V71-A165 HydrophobicContact CG1-CB 4.28Å; V71-A165 HydrophobicContact CG2-CB 4.13Å; H72-A165 PolarHBondContact N-O 3.13Å; I120-A165 HydrophobicContact CD1-CB 4.08Å; M122-A165 HydrophobicContact CE-CB 3.7Å; A165-M192 HydrophobicContact CB-CE 3.73Å; A165-M192 HydrophobicContact CB-SD 3.84Å
166F98.8Very high95.3Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-126.5135167.5-162.1-76000110.4F13 H72 E85 C149 Y153 H168F13-F166 HydrophobicContact CE2-CE2 4.02Å; F13-F166 AromaticContact CE2-CZ 3.99Å; F13-F166 HydrophobicContact CE2-CZ 3.99Å; F13-F166 HydrophobicContact CZ-CE2 4.49Å; H72-F166 HydrophobicContact CB-CD2 3.4Å; H72-F166 HydrophobicContact CB-CE2 3.63Å; H72-F166 HydrophobicContact CB-CG 4.32Å; H72-F166 CarbonylContact O-C 3.57Å; H72-F166 VanDerWaalsContact O-CA 3.3Å; H72-F166 WeakPolarHBondContact O-CA 3.26Å; E85-F166 HydrophobicContact CB-CB 4.08Å; E85-F166 HydrophobicContact CG-CB 4.24Å; E85-F166 HydrophobicContact CG-CD1 3.94Å; E85-F166 HydrophobicContact CG-CG 4.49Å; E85-F166 PolarHBondContact N-O 2.91Å; C149-F166 HydrophobicContact CB-CE1 3.84Å; C149-F166 HydrophobicContact CB-CE2 3.92Å; C149-F166 HydrophobicContact CB-CZ 3.32Å; C149-F166 WeakPolarHBondContact O-CD2 3.14Å; C149-F166 WeakPolarHBondContact O-CE2 3.34Å; Y153-F166 HydrophobicContact CD1-CB 3.6Å; Y153-F166 HydrophobicContact CD1-CG 4.41Å; Y153-F166 HydrophobicContact CD2-CB 3.67Å; Y153-F166 HydrophobicContact CE1-CB 3.89Å; Y153-F166 HydrophobicContact CE2-CB 3.99Å; Y153-F166 HydrophobicContact CG-CB 3.46Å; Y153-F166 VanDerWaalsContact CG-CB 3.46Å; Y153-F166 HydrophobicContact CG-CD2 4.2Å; Y153-F166 HydrophobicContact CG-CG 4.17Å; F166-H168 AromaticContact CD1-CE1 3.96Å; F166-H168 AromaticContact CD1-ND1 3.99Å; F166-H168 AromaticContact CE1-CD2 3.7Å; F166-H168 AromaticContact CE1-CE1 3.52Å; F166-H168 AromaticContact CE1-CG 3.89Å; F166-H168 AromaticContact CE1-ND1 3.8Å; F166-H168 AromaticContact CE1-NE2 3.46Å; F166-H168 WeakPolarHBondContact CE1-NE2 3.44Å
167V98.7Very high95.2Very high0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-124.9115.5-179.7-177.50000109.2V71 H72 V73 G74 V82 T83 L84 V169 L185 I188V71-V167 HydrophobicContact CG1-CG2 3.92Å; H72-V167 PolarHBondContact O-N 3.32Å; V73-V167 VanDerWaalsContact CA-O 3.28Å; V73-V167 WeakPolarHBondContact CA-O 3.39Å; G74-V167 PolarHBondContact N-O 3.27Å; V82-V167 HydrophobicContact CG1-CG1 3.37Å; T83-V167 CarbonylContact O-C 3.59Å; T83-V167 WeakPolarHBondContact O-CA 3.5Å; L84-V167 HydrophobicContact CD2-CG1 4.2Å; L84-V167 HydrophobicContact CD2-CG2 3.83Å; V167-V169 HydrophobicContact CG1-CG1 4.45Å; V167-L185 HydrophobicContact CB-CD2 4.22Å; V167-L185 HydrophobicContact CG1-CD2 3.86Å; V167-I188 HydrophobicContact CG2-CG2 4.41Å
168H98.1Very high95.1Very high16 Ų1645.1 Ų45.17%0.07423%0.232CC..EExtended strand (participates in β ladder)trans-82.8129.6167.6-82.3114000110.4G74 V82 T83 E85 A144 C149 F166G74-H168 CarbonylContact O-C 3.54Å; G74-H168 VanDerWaalsContact O-CA 3.27Å; G74-H168 WeakPolarHBondContact O-CA 3.39Å; V82-H168 CarbonylContact C-O 3.51Å; V82-H168 WeakPolarHBondContact CA-O 3.28Å; T83-H168 PolarHBondContact N-O 2.89Å; T83-H168 PolarHBondContact O-N 3.47Å; E85-H168 IonicContact OE1-CE1 3.52Å; E85-H168 IonicContact OE1-CG 2.67Å; E85-H168 IonicContact OE1-ND1 2.95Å; E85-H168 PolarHBondContact OE1-ND1 3.31Å; A144-H168 PolarHBondContact O-CE1 3.26Å; C149-H168 PolarHBondContact SG-NE2 2.94Å; C149-H168 VanDerWaalsContact SG-NE2 3.4Å; F166-H168 AromaticContact CD1-CE1 3.96Å; F166-H168 AromaticContact CD1-ND1 3.99Å; F166-H168 AromaticContact CE1-CD2 3.7Å; F166-H168 AromaticContact CE1-CE1 3.52Å; F166-H168 AromaticContact CE1-CG 3.89Å; F166-H168 AromaticContact CE1-ND1 3.8Å; F166-H168 AromaticContact CE1-NE2 3.46Å; F166-H168 WeakPolarHBondContact CE1-NE2 3.44Å
169V97.7Very high95.1Very high0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-106.3148.9171.7-62.90000110.5A23 V73 G74 V75 S76 V82 V167 L181 L185A23-V169 HydrophobicContact CB-CG2 4.15Å; V73-V169 HydrophobicContact CG1-CG1 3.75Å; V73-V169 HydrophobicContact CG1-CG2 4.08Å; G74-V169 PolarHBondContact O-N 2.99Å; V75-V169 WeakPolarHBondContact CA-O 3.29Å; S76-V169 PolarHBondContact N-O 2.85Å; V82-V169 HydrophobicContact CG2-CG1 4.49Å; V167-V169 HydrophobicContact CG1-CG1 4.45Å; V169-L181 HydrophobicContact CB-CD1 4.21Å; V169-L181 HydrophobicContact CB-CD2 4.22Å; V169-L181 HydrophobicContact CG1-CD2 4.35Å; V169-L181 HydrophobicContact CG2-CD1 4.48Å; V169-L185 HydrophobicContact CG1-CD2 4.49Å
170P95.9Very high95.2Very high0 Ų044.4 Ų44.40%023%0.232CC..PPolyproline II helixtrans-70.8168171.433-36.6000111.1A23 A79 Y176 L181A23-P170 WeakPolarHBondContact CB-O 3.38Å; A79-P170 HydrophobicContact CB-CB 4.26Å; A79-P170 WeakPolarHBondContact O-CB 3.45Å; P170-Y176 HydrophobicContact CG-CD2 3.74Å; P170-Y176 HydrophobicContact CG-CE2 4.34Å; P170-L181 HydrophobicContact CG-CD2 4.04Å
171P94Very high95.4Very high36 Ų3644.3 Ų44.323%0.23423%0.232CC..PPolyproline II helixtrans-58.7150.3174.7-22.234.4000112.5A173 K174P171-A173 PolarHBondContact O-N 3.45Å; P171-K174 HydrophobicContact CB-CB 4.43Å; P171-K174 CarbonylContact O-C 3.54Å; P171-K174 PolarHBondContact O-N 3.01Å; P171-K174 VanDerWaalsContact O-N 3.16Å; P171-K174 VanDerWaalsContact O-O 3.06Å
172I90.6Very high95.7Very high61 Ų6136.7 Ų36.731%0.31320%0.196SC..THydrogen-bonded Turntrans-58.7141.3177.1-69155.4000110.6I21 A23 V26 K174I21-I172 HydrophobicContact CG2-CD1 3.63Å; A23-I172 HydrophobicContact CB-CD1 4.2Å; A23-I172 HydrophobicContact CB-CG1 3.76Å; V26-I172 HydrophobicContact CB-CD1 3.69Å; V26-I172 HydrophobicContact CB-CG1 4.41Å; V26-I172 HydrophobicContact CG1-CD1 3.9Å; V26-I172 HydrophobicContact CG1-CG1 4.4Å; V26-I172 HydrophobicContact CG2-CD1 3.56Å; I172-K174 PolarHBondContact O-N 3.47Å; I172-K174 VanDerWaalsContact O-N 3.16Å
173A88.4Confident96Very high74 Ų7440.9 Ų40.961%0.61221%0.212SC*.THydrogen-bonded Turntrans60.814.5-178.900000114P171 Y176P171-A173 PolarHBondContact O-N 3.45Å; A173-Y176 VanDerWaalsContact CA-O 3.25Å; A173-Y176 WeakPolarHBondContact CA-O 3.5Å; A173-Y176 PolarHBondContact N-O 3.05Å
174K88.4Confident96.2Very high153 Ų15335.6 Ų35.667%0.66519%0.191SC*.SBendtrans-145.986.5-178.3-65.5-175.4-177.2179.60110.9P171 I172P171-K174 HydrophobicContact CB-CB 4.43Å; P171-K174 CarbonylContact O-C 3.54Å; P171-K174 PolarHBondContact O-N 3.01Å; P171-K174 VanDerWaalsContact O-N 3.16Å; P171-K174 VanDerWaalsContact O-O 3.06Å; I172-K174 PolarHBondContact O-N 3.47Å; I172-K174 VanDerWaalsContact O-N 3.16Å
175P92.9Very high96.2Very high73 Ų7335.6 Ų35.647%0.47419%0.191SC..SBendcis-96.30.80.336.8-34.1000114T80T80-P175 WeakPolarHBondContact O-CG 3.49Å
176Y96.6Very high96.2Very high33 Ų3337.7 Ų37.713%0.12920%0.201CC..  trans-113.1145.4-168.9-59.2-56.7000112V136 A137 P170 A173 D180 L181V136-Y176 HydrophobicContact CB-CE1 4.3Å; V136-Y176 HydrophobicContact CG1-CD2 4.01Å; V136-Y176 HydrophobicContact CG1-CE1 4.31Å; V136-Y176 HydrophobicContact CG1-CE2 3.76Å; V136-Y176 HydrophobicContact CG1-CG 4.42Å; V136-Y176 HydrophobicContact CG2-CD1 3.99Å; V136-Y176 HydrophobicContact CG2-CE1 4.09Å; V136-Y176 HydrophobicContact CG2-CG 4.36Å; A137-Y176 WeakPolarHBondContact CB-OH 3.22Å; A137-Y176 PolarHBondContact N-OH 3.41Å; P170-Y176 HydrophobicContact CG-CD2 3.74Å; P170-Y176 HydrophobicContact CG-CE2 4.34Å; A173-Y176 VanDerWaalsContact CA-O 3.25Å; A173-Y176 WeakPolarHBondContact CA-O 3.5Å; A173-Y176 PolarHBondContact N-O 3.05Å; Y176-D180 HydrophobicContact CD1-CB 4.4Å; Y176-D180 HydrophobicContact CG-CB 4.46Å; Y176-L181 HydrophobicContact CD2-CD2 4.08Å; Y176-L181 HydrophobicContact CG-CD2 4.34Å
177S96.8Very high96.2Very high44 Ų4438.7 Ų38.731%0.30821%0.21SC..  trans-70.3166.2169.569.80000111.1E179 D180 L181S177-E179 PolarHBondContact O-N 2.81Å; S177-E179 PolarHBondContact OG-N 3.23Å; S177-D180 WeakPolarHBondContact CB-OD2 3.49Å; S177-D180 PolarHBondContact N-OD2 2.96Å; S177-D180 PolarHBondContact O-N 3.05Å; S177-D180 PolarHBondContact OG-N 3.25Å; S177-D180 VanDerWaalsContact OG-N 3.13Å; S177-D180 PolarHBondContact OG-OD2 3.16Å; S177-L181 WeakPolarHBondContact O-CG 3.35Å; S177-L181 PolarHBondContact O-N 2.69Å; S177-L181 VanDerWaalsContact O-N 3.12Å
178G97.1Very high96.2Very high11 Ų1138.7 Ų38.711%0.11321%0.21CC..Hα-helixtrans-57.5-38.7172.100000112.2E30 L181 G182E30-G178 WeakPolarHBondContact CG-O 3.44Å; G178-L181 PolarHBondContact O-N 3.14Å; G178-G182 PolarHBondContact O-N 3.01Å
179E97.8Very high96.3Very high111 Ų11138 Ų3852%0.51921%0.206SC..Hα-helixtrans-66.5-40.1178.6-61-177.6-176.700112.5S177 L181 G182 R183S177-E179 PolarHBondContact O-N 2.81Å; S177-E179 PolarHBondContact OG-N 3.23Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.4Å; E179-G182 PolarHBondContact O-N 3.21Å; E179-R183 WeakPolarHBondContact O-CG 3.25Å; E179-R183 PolarHBondContact O-N 3.21Å; E179-R183 IonicContact OE2-NH1 2.79Å
180D98.2Very high96.3Very high45 Ų4541.2 Ų41.224%0.24122%0.222CC..Hα-helixtrans-59.8-44.5174.3-66.7-46.6000110.7V136 Y176 S177 R183 A184V136-D180 HydrophobicContact CG2-CB 4.08Å; Y176-D180 HydrophobicContact CD1-CB 4.4Å; Y176-D180 HydrophobicContact CG-CB 4.46Å; S177-D180 WeakPolarHBondContact CB-OD2 3.49Å; S177-D180 PolarHBondContact N-OD2 2.96Å; S177-D180 PolarHBondContact O-N 3.05Å; S177-D180 PolarHBondContact OG-N 3.25Å; S177-D180 VanDerWaalsContact OG-N 3.13Å; S177-D180 PolarHBondContact OG-OD2 3.16Å; D180-R183 PolarHBondContact O-N 3.45Å; D180-R183 IonicContact OD1-CZ 3.08Å; D180-R183 IonicContact OD1-NH2 3.65Å; D180-R183 PolarHBondContact OD1-NH2 2.95Å; D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 3.22Å
181L98.4Very high96.4Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-65.8-41177-63.1178.2000111.6A27 V82 V169 P170 Y176 S177 G178 E179 A184 L185A27-L181 HydrophobicContact CB-CB 3.65Å; A27-L181 HydrophobicContact CB-CD1 4.38Å; V82-L181 HydrophobicContact CG2-CD2 3.83Å; V169-L181 HydrophobicContact CB-CD1 4.21Å; V169-L181 HydrophobicContact CB-CD2 4.22Å; V169-L181 HydrophobicContact CG1-CD2 4.35Å; V169-L181 HydrophobicContact CG2-CD1 4.48Å; P170-L181 HydrophobicContact CG-CD2 4.04Å; Y176-L181 HydrophobicContact CD2-CD2 4.08Å; Y176-L181 HydrophobicContact CG-CD2 4.34Å; S177-L181 WeakPolarHBondContact O-CG 3.35Å; S177-L181 PolarHBondContact O-N 2.69Å; S177-L181 VanDerWaalsContact O-N 3.12Å; G178-L181 PolarHBondContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.4Å; L181-A184 PolarHBondContact O-N 3.35Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 2.88Å
182G98.5Very high96.5Very high0 Ų040.8 Ų40.80%022%0.216CC..Hα-helixtrans-60.3-44.8174.400000112.7G178 E179 A184 L185 Q186G178-G182 PolarHBondContact O-N 3.01Å; E179-G182 PolarHBondContact O-N 3.21Å; G182-A184 VanDerWaalsContact C-N 3.34Å; G182-A184 PolarHBondContact O-N 3.03Å; G182-L185 PolarHBondContact O-N 3.2Å; G182-Q186 PolarHBondContact O-N 3.37Å
183R98.5Very high96.8Very high90 Ų9038.1 Ų38.134%0.3420%0.203SC..Hα-helixtrans-63.2-38.5174-73.5-172.3-70.1-92.24.4112.1L34 L134 E179 D180 Q186 A187L34-R183 HydrophobicContact CD1-CG 3.96Å; L134-R183 HydrophobicContact CD1-CB 4.28Å; E179-R183 WeakPolarHBondContact O-CG 3.25Å; E179-R183 PolarHBondContact O-N 3.21Å; E179-R183 IonicContact OE2-NH1 2.79Å; D180-R183 PolarHBondContact O-N 3.45Å; D180-R183 IonicContact OD1-CZ 3.08Å; D180-R183 IonicContact OD1-NH2 3.65Å; D180-R183 PolarHBondContact OD1-NH2 2.95Å; R183-Q186 PolarHBondContact O-N 3.45Å; R183-A187 PolarHBondContact O-N 3.31Å
184A98.5Very high97.1Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-63.7-48.3174.600000112.6V82 L134 V136 D180 L181 G182 Q186 A187 I188V82-A184 HydrophobicContact CG2-CB 4.29Å; L134-A184 VanDerWaalsContact CD2-CA 3.45Å; L134-A184 HydrophobicContact CD2-CB 3.77Å; V136-A184 HydrophobicContact CB-CB 4.17Å; V136-A184 HydrophobicContact CG1-CB 3.92Å; V136-A184 HydrophobicContact CG2-CB 4.27Å; D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 3.22Å; L181-A184 PolarHBondContact O-N 3.35Å; G182-A184 VanDerWaalsContact C-N 3.34Å; G182-A184 PolarHBondContact O-N 3.03Å; A184-Q186 VanDerWaalsContact C-N 3.27Å; A184-Q186 PolarHBondContact O-N 2.95Å; A184-A187 PolarHBondContact O-N 2.81Å; A184-I188 HydrophobicContact CB-CD1 4.44Å; A184-I188 WeakPolarHBondContact O-CB 3.43Å; A184-I188 VanDerWaalsContact O-CD1 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.41Å; A184-I188 WeakPolarHBondContact O-CG1 3.41Å; A184-I188 PolarHBondContact O-N 2.66Å
185L98.8Very high97.4Very high0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-58.4-42.2174.9-67.4178.9000111.3A27 V28 L31 V73 V167 V169 L181 G182 I188 I189A27-L185 HydrophobicContact CB-CD1 3.71Å; V28-L185 HydrophobicContact CG2-CD1 4.21Å; L31-L185 HydrophobicContact CB-CB 4.47Å; L31-L185 HydrophobicContact CD1-CB 4.36Å; L31-L185 HydrophobicContact CD2-CB 4.12Å; V73-L185 HydrophobicContact CG1-CD1 4.3Å; V73-L185 HydrophobicContact CG1-CD2 4.28Å; V73-L185 HydrophobicContact CG2-CD1 3.98Å; V73-L185 HydrophobicContact CG2-CD2 3.88Å; V167-L185 HydrophobicContact CB-CD2 4.22Å; V167-L185 HydrophobicContact CG1-CD2 3.86Å; V169-L185 HydrophobicContact CG1-CD2 4.49Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 2.88Å; G182-L185 PolarHBondContact O-N 3.2Å; L185-I188 PolarHBondContact O-N 3.21Å; L185-I189 HydrophobicContact CB-CD1 4.38Å; L185-I189 WeakPolarHBondContact O-CB 3.33Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.23Å
186Q98.6Very high97.3Very high45 Ų4529.8 Ų29.821%0.2115%0.15CC..Hα-helixtrans-58.5-52.9177.7-174.7-176.451.900111.3L31 G35 L36 G182 R183 A184 I188 I189 Q190L31-Q186 HydrophobicContact CD1-CB 3.67Å; L31-Q186 HydrophobicContact CD1-CG 4.32Å; G35-Q186 PolarHBondContact O-NE2 2.98Å; L36-Q186 HydrophobicContact CD2-CG 4.17Å; G182-Q186 PolarHBondContact O-N 3.37Å; R183-Q186 PolarHBondContact O-N 3.45Å; A184-Q186 VanDerWaalsContact C-N 3.27Å; A184-Q186 PolarHBondContact O-N 2.95Å; Q186-I188 PolarHBondContact O-N 2.67Å; Q186-I189 PolarHBondContact O-N 3.05Å; Q186-Q190 WeakPolarHBondContact O-CB 2.86Å; Q186-Q190 VanDerWaalsContact O-CG 3.28Å; Q186-Q190 WeakPolarHBondContact O-CG 3.37Å; Q186-Q190 PolarHBondContact O-N 3Å
187A98.5Very high97Very high21 Ų2130.1 Ų30.117%0.17415%0.154CC..Hα-helixtrans-62.6-42.5-179.200000112.2V129 L134 R183 A184 E191V129-A187 HydrophobicContact CG1-CB 4.37Å; L134-A187 HydrophobicContact CD1-CB 4.44Å; L134-A187 HydrophobicContact CD2-CB 4.18Å; R183-A187 PolarHBondContact O-N 3.31Å; A184-A187 PolarHBondContact O-N 2.81Å; A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 3.3Å; A187-E191 VanDerWaalsContact O-N 3.07Å
188I98.8Very high96.6Very high0 Ų034.5 Ų34.50%016%0.164CC..Hα-helixtrans-61.6-50.9177.8-71.1161.7000110.5V82 L84 V125 V129 V138 V167 A184 L185 Q186 E191 M192V82-I188 HydrophobicContact CG1-CD1 3.62Å; L84-I188 HydrophobicContact CD2-CD1 3.94Å; L84-I188 HydrophobicContact CD2-CG1 4.31Å; L84-I188 HydrophobicContact CD2-CG2 3.7Å; V125-I188 HydrophobicContact CG1-CG2 4.1Å; V129-I188 HydrophobicContact CG1-CG1 4.16Å; V129-I188 HydrophobicContact CG2-CG1 4.02Å; V138-I188 HydrophobicContact CG1-CD1 4.44Å; V138-I188 HydrophobicContact CG2-CD1 4.4Å; V167-I188 HydrophobicContact CG2-CG2 4.41Å; A184-I188 HydrophobicContact CB-CD1 4.44Å; A184-I188 WeakPolarHBondContact O-CB 3.43Å; A184-I188 VanDerWaalsContact O-CD1 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.41Å; A184-I188 WeakPolarHBondContact O-CG1 3.41Å; A184-I188 PolarHBondContact O-N 2.66Å; L185-I188 PolarHBondContact O-N 3.21Å; Q186-I188 PolarHBondContact O-N 2.67Å; I188-E191 PolarHBondContact O-N 3.29Å; I188-M192 HydrophobicContact CG2-CE 3.49Å; I188-M192 VanDerWaalsContact CG2-CE 3.49Å; I188-M192 HydrophobicContact CG2-SD 4.01Å; I188-M192 VanDerWaalsContact O-CG 3.28Å; I188-M192 WeakPolarHBondContact O-CG 3.13Å; I188-M192 PolarHBondContact O-N 3.08Å
189I98.6Very high96Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-68.1-40.8-175.8-65.3165.3000110.9V8 V10 L31 L36 L69 V71 L185 Q186 E191 M192 L193V8-I189 HydrophobicContact CG1-CG2 4.12Å; V10-I189 HydrophobicContact CG1-CD1 4.3Å; V10-I189 HydrophobicContact CG2-CD1 3.68Å; L31-I189 HydrophobicContact CD2-CD1 3.56Å; L36-I189 HydrophobicContact CD1-CG2 3.62Å; L36-I189 HydrophobicContact CD2-CB 3.91Å; L36-I189 HydrophobicContact CD2-CG2 3.82Å; L36-I189 HydrophobicContact CG-CG2 4.41Å; L69-I189 HydrophobicContact CD2-CG2 4.42Å; V71-I189 HydrophobicContact CB-CD1 4.41Å; V71-I189 HydrophobicContact CB-CG1 4.44Å; V71-I189 HydrophobicContact CG1-CD1 4.46Å; V71-I189 HydrophobicContact CG1-CG1 4.38Å; V71-I189 HydrophobicContact CG2-CD1 4.43Å; V71-I189 HydrophobicContact CG2-CG1 4.03Å; L185-I189 HydrophobicContact CB-CD1 4.38Å; L185-I189 WeakPolarHBondContact O-CB 3.33Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.23Å; Q186-I189 PolarHBondContact O-N 3.05Å; I189-E191 VanDerWaalsContact C-N 3.26Å; I189-E191 PolarHBondContact O-N 2.93Å; I189-M192 WeakPolarHBondContact O-CB 3.44Å; I189-M192 PolarHBondContact O-N 3.12Å; I189-L193 HydrophobicContact CG2-CD1 4.27Å; I189-L193 HydrophobicContact CG2-CG 4.44Å; I189-L193 WeakPolarHBondContact O-CG 3.26Å; I189-L193 PolarHBondContact O-N 3.5Å
190Q97.9Very high95.3Very high69 Ų6936 Ų3632%0.32218%0.176SC..Hα-helixtrans-60.1-39.7174.6-75.1178.2-30.500111.7L36 Q186 L193 N194L36-Q190 HydrophobicContact CD2-CG 3.96Å; L36-Q190 PolarHBondContact O-NE2 3.36Å; L36-Q190 VanDerWaalsContact O-NE2 3.1Å; Q186-Q190 WeakPolarHBondContact O-CB 2.86Å; Q186-Q190 VanDerWaalsContact O-CG 3.28Å; Q186-Q190 WeakPolarHBondContact O-CG 3.37Å; Q186-Q190 PolarHBondContact O-N 3Å; Q190-L193 PolarHBondContact O-N 2.63Å; Q190-N194 PolarHBondContact O-N 2.77Å; Q190-N194 PolarHBondContact O-ND2 3.05Å
191E97.9Very high94.5Very high27 Ų2739.9 Ų39.913%0.12619%0.193CC..Hα-helixtrans-67.7-39.7175.4-175.351.4-13200112.3V125 R128 V129 A187 I188 I189 L193 N194 M195V125-E191 HydrophobicContact CB-CG 4.39Å; V125-E191 HydrophobicContact CG1-CB 4.26Å; V125-E191 HydrophobicContact CG1-CG 4.16Å; V125-E191 HydrophobicContact CG2-CG 4.31Å; R128-E191 HydrophobicContact CB-CG 4.2Å; R128-E191 IonicContact CZ-OE1 3.14Å; R128-E191 VanDerWaalsContact NE-CD 3.26Å; R128-E191 IonicContact NE-OE1 2.65Å; R128-E191 PolarHBondContact NE-OE1 2.93Å; R128-E191 IonicContact NE-OE2 3.72Å; R128-E191 IonicContact NH2-OE1 2.75Å; R128-E191 PolarHBondContact NH2-OE1 2.91Å; V129-E191 HydrophobicContact CG2-CB 4.24Å; A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 3.3Å; A187-E191 VanDerWaalsContact O-N 3.07Å; I188-E191 PolarHBondContact O-N 3.29Å; I189-E191 VanDerWaalsContact C-N 3.26Å; I189-E191 PolarHBondContact O-N 2.93Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.16Å; E191-N194 PolarHBondContact O-N 3.16Å; E191-M195 WeakPolarHBondContact O-CG 3.5Å; E191-M195 PolarHBondContact O-N 3.4Å; E191-M195 VanDerWaalsContact O-N 3.07Å
192M97.8Very high93.4Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-59.1-44.4173-67.6173.2169.800111.9L69 V71 L84 I120 M122 V125 A165 I188 I189 M195 L196L69-M192 HydrophobicContact CD2-CB 3.77Å; L69-M192 HydrophobicContact CD2-SD 4.23Å; V71-M192 HydrophobicContact CG2-SD 4.24Å; L84-M192 HydrophobicContact CD2-CE 4.38Å; I120-M192 HydrophobicContact CD1-CB 4.19Å; I120-M192 HydrophobicContact CD1-CG 4.2Å; I120-M192 HydrophobicContact CD1-SD 4.17Å; I120-M192 HydrophobicContact CG2-CB 4.36Å; I120-M192 HydrophobicContact CG2-CG 3.85Å; M122-M192 HydrophobicContact CE-CE 4.12Å; M122-M192 HydrophobicContact SD-CE 3.71Å; V125-M192 HydrophobicContact CG1-CE 4.48Å; V125-M192 HydrophobicContact CG1-CG 4.25Å; V125-M192 HydrophobicContact CG2-CG 3.95Å; A165-M192 HydrophobicContact CB-CE 3.73Å; A165-M192 HydrophobicContact CB-SD 3.84Å; I188-M192 HydrophobicContact CG2-CE 3.49Å; I188-M192 VanDerWaalsContact CG2-CE 3.49Å; I188-M192 HydrophobicContact CG2-SD 4.01Å; I188-M192 VanDerWaalsContact O-CG 3.28Å; I188-M192 WeakPolarHBondContact O-CG 3.13Å; I188-M192 PolarHBondContact O-N 3.08Å; I189-M192 WeakPolarHBondContact O-CB 3.44Å; I189-M192 PolarHBondContact O-N 3.12Å; M192-M195 WeakPolarHBondContact O-CB 3.43Å; M192-M195 PolarHBondContact O-N 3.34Å; M192-L196 WeakPolarHBondContact O-CG 3.33Å; M192-L196 PolarHBondContact O-N 3.49Å; M192-L196 VanDerWaalsContact O-N 3.1Å
193L96.5Very high92.2Very high4 Ų451.3 Ų51.32%0.02125%0.246CC..Hα-helixtrans-62.9-46.3177.2-68171.9000111.6V8 V40 L69 I189 Q190 E191 M195 L196 D197V8-L193 HydrophobicContact CG2-CD1 4.04Å; V8-L193 HydrophobicContact CG2-CD2 3.8Å; V8-L193 HydrophobicContact CG2-CG 4.46Å; V40-L193 HydrophobicContact CG2-CD1 3.89Å; L69-L193 HydrophobicContact CB-CD2 4.21Å; L69-L193 HydrophobicContact CD2-CD2 4.21Å; I189-L193 HydrophobicContact CG2-CD1 4.27Å; I189-L193 HydrophobicContact CG2-CG 4.44Å; I189-L193 WeakPolarHBondContact O-CG 3.26Å; I189-L193 PolarHBondContact O-N 3.5Å; Q190-L193 PolarHBondContact O-N 2.63Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.16Å; L193-M195 PolarHBondContact O-N 3.49Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-L196 VanDerWaalsContact O-N 3.08Å; L193-D197 VanDerWaalsContact O-CG 3.22Å; L193-D197 PolarHBondContact O-N 3.29Å
194N94.6Very high90.8Very high68 Ų6853.4 Ų53.436%0.36426%0.26SS..Hα-helixtrans-57.2-34.2176.1-70.4-24000112.3Q190 E191 R198Q190-N194 PolarHBondContact O-N 2.77Å; Q190-N194 PolarHBondContact O-ND2 3.05Å; E191-N194 PolarHBondContact O-N 3.16Å; N194-R198 WeakPolarHBondContact O-CD 3.44Å; N194-R198 WeakPolarHBondContact O-CG 3.39Å; N194-R198 PolarHBondContact O-N 2.86Å
195M93.4Very high89Confident40 Ų4057.6 Ų57.620%0.19729%0.288CS..Hα-helixtrans-69.5-44175.4-72.5-164.767.200112.9D121 V125 R128 E191 M192 L193 R198 A199D121-M195 HydrophobicContact CB-CE 3.62Å; V125-M195 HydrophobicContact CG2-SD 3.56Å; V125-M195 VanDerWaalsContact CG2-SD 3.56Å; R128-M195 PolarHBondContact NH2-SD 3.3Å; E191-M195 WeakPolarHBondContact O-CG 3.5Å; E191-M195 PolarHBondContact O-N 3.4Å; E191-M195 VanDerWaalsContact O-N 3.07Å; M192-M195 WeakPolarHBondContact O-CB 3.43Å; M192-M195 PolarHBondContact O-N 3.34Å; L193-M195 PolarHBondContact O-N 3.49Å; M195-R198 PolarHBondContact O-N 2.87Å; M195-A199 PolarHBondContact O-N 2.77Å; M195-A199 VanDerWaalsContact O-N 3.09Å
196L92.4Very high87.2Confident18 Ų1864.6 Ų64.69%0.09432%0.32CS..Hα-helixtrans-63.1-45.6178.7-68.2172.1000110.7Q68 L69 V119 I120 M192 L193 R198 A199 E200Q68-L196 HydrophobicContact CG-CD1 4.39Å; L69-L196 HydrophobicContact CB-CD1 4.24Å; L69-L196 HydrophobicContact CD1-CD1 4.49Å; L69-L196 HydrophobicContact CD2-CD1 4.47Å; V119-L196 HydrophobicContact CG2-CD2 4.07Å; I120-L196 HydrophobicContact CG1-CD2 4.37Å; M192-L196 WeakPolarHBondContact O-CG 3.33Å; M192-L196 PolarHBondContact O-N 3.49Å; M192-L196 VanDerWaalsContact O-N 3.1Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-L196 VanDerWaalsContact O-N 3.08Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 2.96Å; L196-A199 WeakPolarHBondContact O-CB 3.49Å; L196-A199 PolarHBondContact O-N 3.1Å; L196-A199 VanDerWaalsContact O-N 3.08Å; L196-E200 WeakPolarHBondContact O-CG 3.36Å; L196-E200 PolarHBondContact O-N 2.97Å
197D90.5Very high85.3Confident40 Ų4069.6 Ų69.621%0.21434%0.343CS..Hα-helixtrans-58.2-45.9178.3-61.3-15.8000111.2R6 Q68 L193 A199 E200 E201R6-D197 IonicContact CZ-OD2 3.29Å; R6-D197 IonicContact NH1-OD1 3.81Å; R6-D197 PolarHBondContact NH1-OD1 3.25Å; R6-D197 IonicContact NH1-OD2 3.87Å; R6-D197 PolarHBondContact NH1-OD2 2.94Å; Q68-D197 PolarHBondContact NE2-OD1 2.81Å; L193-D197 VanDerWaalsContact O-CG 3.22Å; L193-D197 PolarHBondContact O-N 3.29Å; D197-A199 VanDerWaalsContact C-N 3.28Å; D197-A199 PolarHBondContact O-N 3.3Å; D197-E200 PolarHBondContact O-N 3.16Å; D197-E201 WeakPolarHBondContact O-CG 3.09Å; D197-E201 PolarHBondContact O-N 2.82Å
198R88.2Confident83.1Confident136 Ų13673.4 Ų73.451%0.51336%0.364SS..Hα-helixtrans-65.2-29.7177.5-71.7170.8-174.8-177.34.8113.5N194 M195 L196 K202N194-R198 WeakPolarHBondContact O-CD 3.44Å; N194-R198 WeakPolarHBondContact O-CG 3.39Å; N194-R198 PolarHBondContact O-N 2.86Å; M195-R198 PolarHBondContact O-N 2.87Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 2.96Å; R198-K202 WeakPolarHBondContact O-CG 3.49Å; R198-K202 PolarHBondContact O-N 3.35Å
199A84.6Confident80.4Confident47 Ų4784.7 Ų84.739%0.38842%0.417SS..Hα-helixtrans-72-42.2176.400000110.5M195 L196 D197 K202 I203M195-A199 PolarHBondContact O-N 2.77Å; M195-A199 VanDerWaalsContact O-N 3.09Å; L196-A199 WeakPolarHBondContact O-CB 3.49Å; L196-A199 PolarHBondContact O-N 3.1Å; L196-A199 VanDerWaalsContact O-N 3.08Å; D197-A199 VanDerWaalsContact C-N 3.28Å; D197-A199 PolarHBondContact O-N 3.3Å; A199-K202 PolarHBondContact O-N 3.48Å; A199-I203 WeakPolarHBondContact O-CG1 3.37Å; A199-I203 PolarHBondContact O-N 2.83Å
200E82.2Confident79.5Confident105 Ų10589 Ų8949%0.49144%0.438SS..Hα-helixtrans-63.5-43.9176.3-69.4175.5-173.200111.9L196 D197 K202 I203 H204L196-E200 WeakPolarHBondContact O-CG 3.36Å; L196-E200 PolarHBondContact O-N 2.97Å; D197-E200 PolarHBondContact O-N 3.16Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.28Å; E200-I203 PolarHBondContact O-N 2.65Å; E200-H204 PolarHBondContact O-N 2.93Å
201E81.3Confident78.5Confident128 Ų12890 Ų9060%0.59844%0.444SS*.Hα-helixtrans-59.1-42.3176-73.8174.3174.300112.6D197 H204 C205D197-E201 WeakPolarHBondContact O-CG 3.09Å; D197-E201 PolarHBondContact O-N 2.82Å; E201-H204 PolarHBondContact O-N 3.22Å; E201-C205 PolarHBondContact O-N 2.89Å; E201-C205 PolarHBondContact O-SG 2.84Å
202K75.2Confident77.4Confident144 Ų14493.5 Ų93.563%0.62646%0.461SS*.Hα-helixtrans-64.7-40.4178.3-76.9176.3-177.6-179.10112.2R198 A199 E200 H204 C205 Q206R198-K202 WeakPolarHBondContact O-CG 3.49Å; R198-K202 PolarHBondContact O-N 3.35Å; A199-K202 PolarHBondContact O-N 3.48Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.28Å; K202-H204 VanDerWaalsContact C-N 3.32Å; K202-C205 PolarHBondContact O-N 3.24Å; K202-Q206 VanDerWaalsContact O-CG 3.29Å; K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.01Å; K202-Q206 VanDerWaalsContact O-N 3.15Å
203I74.1Confident76.2Confident95 Ų9599 Ų9949%0.48749%0.488SS..Hα-helixtrans-63.7-43.3176.3-66.2166.2000109.5A199 E200 Q206 H207A199-I203 WeakPolarHBondContact O-CG1 3.37Å; A199-I203 PolarHBondContact O-N 2.83Å; E200-I203 PolarHBondContact O-N 2.65Å; I203-Q206 PolarHBondContact O-N 2.92Å; I203-H207 PolarHBondContact O-N 3.26Å; I203-H207 PolarHBondContact O-ND1 3.34Å
204H68.2Low74.9Confident135 Ų135104.9 Ų104.963%0.62552%0.518SS*.Hα-helixtrans-62.6-44.9179-166.567.4000112.2E200 E201 K202 Q206 H207 V208E200-H204 PolarHBondContact O-N 2.93Å; E201-H204 PolarHBondContact O-N 3.22Å; K202-H204 VanDerWaalsContact C-N 3.32Å; H204-Q206 VanDerWaalsContact C-N 3.28Å; H204-Q206 PolarHBondContact O-N 3.13Å; H204-H207 PolarHBondContact O-N 3.13Å; H204-V208 WeakPolarHBondContact O-CG2 3.2Å
205C62.2Low73.6Confident87 Ų87107.4 Ų107.459%0.58853%0.528SS*.Hα-helixtrans-64.9-28.1177-72.70000113.8E201 K202E201-C205 PolarHBondContact O-N 2.89Å; E201-C205 PolarHBondContact O-SG 2.84Å; K202-C205 PolarHBondContact O-N 3.24Å
206Q59.5Low72.2Confident148 Ų148112.2 Ų112.269%0.69255%0.551SS**Hα-helixtrans-78-18.3179.2-75.3176.2-5.100114.1K202 I203 H204K202-Q206 VanDerWaalsContact O-CG 3.29Å; K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.01Å; K202-Q206 VanDerWaalsContact O-N 3.15Å; I203-Q206 PolarHBondContact O-N 2.92Å; H204-Q206 VanDerWaalsContact C-N 3.28Å; H204-Q206 PolarHBondContact O-N 3.13Å
207H58.5Low70.7Confident149 Ų149119.5 Ų119.569%0.6959%0.587SS**THydrogen-bonded Turntrans-97-0.5179.5-71.283.7000113.8I203 H204I203-H207 PolarHBondContact O-N 3.26Å; I203-H207 PolarHBondContact O-ND1 3.34Å; H204-H207 PolarHBondContact O-N 3.13Å
208V52.8Low69Low101 Ų101126.1 Ų126.161%0.61262%0.618SS**  trans-101.74.3-178.3-179.50000111.9H204H204-V208 WeakPolarHBondContact O-CG2 3.2Å
209H41.6Very low67.3Low238 Ų238125.2 Ų125.2100%1.10263%0.627SS**  trans-117.10176.7-83.9-47.7000113.1

Retrieved 209 of 209 residues in 788.1 ms (Link to these results)

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