A0A087XYW7_POEFO Loading...

3-hydroxyacyl-CoA dehydrogenase type-2

AlphaFold DB , UniProt , Accession A0A087XYW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1M56.6Low86.4Confident242 Ų24281.6 Ų81.6100%1.19245%0.451SS*.  0141.20-72.6-179.4178.900107.3H3M1-H3 PolarHBondContact O-N 3.23Å
2A62.5Low87.5Confident86 Ų8674.9 Ų74.971%0.71141%0.414SS*.  trans-62.3134.4176.900000110I4A2-I4 PolarHBondContact O-N 3.47Å
3H77.3Confident88.3Confident131 Ų13169.2 Ų69.261%0.60638%0.383SS*.  trans-84.298.4-179.1-170.9-70.1000109.8M1 R5M1-H3 PolarHBondContact O-N 3.23Å; H3-R5 PolarHBondContact O-N 3.31Å
4I86.1Confident89.1Confident102 Ų10264.2 Ų64.252%0.52336%0.355SS..PPolyproline II helixtrans-66.5127.8171.4-56.9-59.7000108.5A2 E241A2-I4 PolarHBondContact O-N 3.47Å; I4-E241 HydrophobicContact CG2-CB 4Å
5R89.1Confident89.7Confident28 Ų2860.1 Ų60.111%0.10633%0.332CS..PPolyproline II helixtrans-73.6151-177.8-51.9178.587.7-166.24.8109.6H3 M10 D141 E241H3-R5 PolarHBondContact O-N 3.31Å; R5-M10 HydrophobicContact CB-CE 4Å; R5-D141 IonicContact CZ-OD2 2.96Å; R5-D141 IonicContact NE-OD2 3.84Å; R5-D141 PolarHBondContact NE-OD2 2.94Å; R5-D141 IonicContact NH2-OD2 2.85Å; R5-D141 PolarHBondContact NH2-OD2 3.47Å; R5-E241 PolarHBondContact N-O 3.38Å; R5-E241 WeakPolarHBondContact O-CB 3.46Å; R5-E241 VanDerWaalsContact O-CG 3.29Å; R5-E241 WeakPolarHBondContact O-CG 3.44Å
6S92.2Very high90.3Very high79 Ų7956.8 Ų56.855%0.55232%0.317SS*.PPolyproline II helixtrans-101136.2175.6-178.50000110.3K8 M10S6-K8 PolarHBondContact O-N 3.32Å; S6-K8 PolarHBondContact OG-N 3.05Å; S6-M10 WeakPolarHBondContact O-CE 3.17Å
7L95.8Very high90.8Very high2 Ų253.5 Ų53.51%0.0130%0.298CS..  trans-67.7-24.1173.6-60.7167000112.9G9 M10 L29 N32 A34 T237 A240 E241L7-G9 PolarHBondContact O-N 3.28Å; L7-M10 HydrophobicContact CD2-SD 4.05Å; L7-M10 VanDerWaalsContact O-CB 3.31Å; L7-M10 WeakPolarHBondContact O-CB 3.34Å; L7-M10 PolarHBondContact O-N 3.2Å; L7-L29 HydrophobicContact CD2-CD2 4.32Å; L7-N32 HydrophobicContact CB-CB 4.15Å; L7-N32 HydrophobicContact CD1-CB 3.69Å; L7-A34 WeakPolarHBondContact O-CB 3.44Å; L7-T237 HydrophobicContact CD1-CG2 3.61Å; L7-T237 HydrophobicContact CD2-CG2 4.15Å; L7-A240 HydrophobicContact CD2-CB 4.14Å; L7-E241 HydrophobicContact CD1-CG 4.46Å; L7-E241 HydrophobicContact CD2-CG 3.96Å; L7-E241 HydrophobicContact CG-CG 3.85Å; L7-E241 WeakPolarHBondContact CG-OE1 3.37Å
8K97.4Very high91.2Very high166 Ų16650.6 Ų50.672%0.72228%0.282SS*.THydrogen-bonded Turntrans-60.9122.5-174.6-174.8179.2178.3-178.50109.9S6 M10S6-K8 PolarHBondContact O-N 3.32Å; S6-K8 PolarHBondContact OG-N 3.05Å; K8-M10 VanDerWaalsContact C-N 3.3Å
9G96.9Very high91.5Very high43 Ų4350.9 Ų50.944%0.44329%0.288SS..THydrogen-bonded Turntrans79.33.9-177.900000115.3L7 G33 K83L7-G9 PolarHBondContact O-N 3.28Å; G9-G33 PolarHBondContact N-O 3.19Å; G9-K83 VanDerWaalsContact O-CE 3.24Å; G9-K83 WeakPolarHBondContact O-CE 3.5Å; G9-K83 PolarHBondContact O-NZ 2.71Å
10M98.1Very high91.7Very high16 Ų1649.1 Ų49.18%0.07928%0.282CS..  trans-69.4154.6165.5-70.3-172.1172.100110.9R5 S6 L7 K8 A34 S35 D85R5-M10 HydrophobicContact CB-CE 4Å; S6-M10 WeakPolarHBondContact O-CE 3.17Å; L7-M10 HydrophobicContact CD2-SD 4.05Å; L7-M10 VanDerWaalsContact O-CB 3.31Å; L7-M10 WeakPolarHBondContact O-CB 3.34Å; L7-M10 PolarHBondContact O-N 3.2Å; K8-M10 VanDerWaalsContact C-N 3.3Å; M10-A34 HydrophobicContact CB-CB 4.25Å; M10-A34 CarbonylContact O-C 3.54Å; M10-A34 VanDerWaalsContact O-CA 3.31Å; M10-A34 WeakPolarHBondContact O-CA 3.27Å; M10-A34 WeakPolarHBondContact O-CB 3.3Å; M10-S35 PolarHBondContact O-N 3.08Å; M10-D85 VanDerWaalsContact CA-OD2 3.3Å; M10-D85 WeakPolarHBondContact CA-OD2 3.49Å; M10-D85 HydrophobicContact CB-CB 4.23Å; M10-D85 HydrophobicContact CG-CB 4.29Å
11V98.8Very high92.1Very high3 Ų347.9 Ų47.92%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-116.4115.2171.6-174.50000109.1S35 A77 F81 K83 D85 L86V11-S35 WeakPolarHBondContact CA-O 2.99Å; V11-A77 HydrophobicContact CG1-CB 4.18Å; V11-F81 HydrophobicContact CB-CB 4.3Å; V11-F81 HydrophobicContact CG1-CB 3.77Å; V11-F81 HydrophobicContact CG1-CD2 3.83Å; V11-F81 HydrophobicContact CG1-CG 4.17Å; V11-F81 HydrophobicContact CG2-CB 3.49Å; V11-F81 VanDerWaalsContact CG2-CB 3.49Å; V11-F81 HydrophobicContact CG2-CG 4.44Å; V11-K83 HydrophobicContact CB-CG 4.35Å; V11-K83 WeakPolarHBondContact CB-O 3.27Å; V11-K83 VanDerWaalsContact CG1-O 3.3Å; V11-K83 WeakPolarHBondContact CG1-O 3.18Å; V11-K83 HydrophobicContact CG2-CG 3.73Å; V11-D85 PolarHBondContact N-OD2 3.16Å; V11-D85 PolarHBondContact O-N 3.32Å; V11-L86 PolarHBondContact O-N 3.27Å; V11-L86 VanDerWaalsContact O-N 3.11Å
12G98.8Very high94.1Very high1 Ų136.4 Ų36.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-99.9139.3176.400000112.6S35 A36 V37 L86G12-S35 PolarHBondContact N-O 2.78Å; G12-A36 CarbonylContact O-C 3.5Å; G12-A36 VanDerWaalsContact O-CA 3.27Å; G12-A36 WeakPolarHBondContact O-CA 3.38Å; G12-V37 PolarHBondContact O-N 2.76Å; G12-L86 CarbonylContact C-O 3.47Å; G12-L86 VanDerWaalsContact CA-O 3.27Å; G12-L86 WeakPolarHBondContact CA-O 3.31Å
13L98.9Very high95.8Very high0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-109.2121164.3-179.4145.7000108T15 V39 M70 V74 L84 L86 A87 V88 V127L13-T15 HydrophobicContact CD2-CG2 4.07Å; L13-V39 HydrophobicContact CD1-CG2 3.94Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; L13-V39 HydrophobicContact CG-CG2 3.65Å; L13-M70 HydrophobicContact CD2-CE 4.33Å; L13-V74 HydrophobicContact CD1-CG2 4Å; L13-L84 HydrophobicContact CB-CD1 3.6Å; L13-L86 PolarHBondContact N-O 2.67Å; L13-A87 CarbonylContact O-C 3.54Å; L13-A87 WeakPolarHBondContact O-CA 3.45Å; L13-V88 PolarHBondContact O-N 2.79Å; L13-V127 HydrophobicContact CD2-CG1 3.94Å
14V98.9Very high96.8Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-123.3112.2-174.1-174.60000109.8T25 V26 L29 V37 V39 V88V14-T25 HydrophobicContact CG1-CG2 4.41Å; V14-T25 HydrophobicContact CG2-CG2 4.11Å; V14-V26 HydrophobicContact CB-CG2 3.6Å; V14-V26 HydrophobicContact CG1-CG2 3.93Å; V14-V26 HydrophobicContact CG2-CG2 3.76Å; V14-L29 HydrophobicContact CG2-CD1 4.01Å; V14-V37 PolarHBondContact N-O 2.85Å; V14-V39 PolarHBondContact O-N 2.97Å; V14-V88 WeakPolarHBondContact CA-O 3.48Å; V14-V88 HydrophobicContact CG1-CB 4.22Å; V14-V88 HydrophobicContact CG2-CB 4.17Å; V14-V88 HydrophobicContact CG2-CG2 4.25Å
15T98.9Very high97.4Very high2 Ų226 Ų261%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-80.4146.7175.574.60000111L13 G17 V39 V64 V88 N89 C90 A91 V127L13-T15 HydrophobicContact CD2-CG2 4.07Å; T15-G17 PolarHBondContact O-N 3.21Å; T15-V39 CarbonylContact C-O 3.39Å; T15-V39 VanDerWaalsContact CA-O 3.24Å; T15-V39 WeakPolarHBondContact CA-O 3.42Å; T15-V39 HydrophobicContact CG2-CB 4.12Å; T15-V39 HydrophobicContact CG2-CG1 4.21Å; T15-V64 HydrophobicContact CG2-CG1 4.01Å; T15-V88 PolarHBondContact N-O 2.81Å; T15-N89 WeakPolarHBondContact OG1-CA 3.11Å; T15-C90 CarbonylContact O-C 3.47Å; T15-C90 WeakPolarHBondContact O-CA 3.36Å; T15-C90 WeakPolarHBondContact O-CB 3.41Å; T15-C90 PolarHBondContact O-N 2.83Å; T15-C90 PolarHBondContact OG1-N 3.39Å; T15-C90 VanDerWaalsContact OG1-N 3.14Å; T15-A91 PolarHBondContact O-N 3.17Å; T15-A91 WeakPolarHBondContact OG1-CB 3.47Å; T15-A91 PolarHBondContact OG1-N 2.94Å; T15-A91 VanDerWaalsContact OG1-N 3.1Å; T15-V127 HydrophobicContact CG2-CB 4.46Å; T15-V127 HydrophobicContact CG2-CG1 3.97Å; T15-V127 HydrophobicContact CG2-CG2 3.74Å
16G98.4Very high97.9Very high8 Ų824.7 Ų24.78%0.08215%0.146CC..THydrogen-bonded Turntrans64.623.1-168.900000111.8A18 S19 G22 V39 D40G16-A18 PolarHBondContact O-N 3.06Å; G16-S19 PolarHBondContact O-N 3.17Å; G16-S19 VanDerWaalsContact O-O 3.09Å; G16-G22 WeakPolarHBondContact O-CA 3.39Å; G16-V39 PolarHBondContact N-O 3.45Å; G16-D40 WeakPolarHBondContact CA-OD2 3.47Å
17G98.3Very high98.2Very high0 Ų023.3 Ų23.30%013%0.131CC..THydrogen-bonded Turntrans-74.2-6.2-170.500000114.4T15 R23 I38 V39 D40T15-G17 PolarHBondContact O-N 3.21Å; G17-R23 WeakPolarHBondContact O-CA 3.3Å; G17-R23 WeakPolarHBondContact O-CB 3.38Å; G17-R23 PolarHBondContact O-N 2.95Å; G17-I38 VanDerWaalsContact C-CG2 3.49Å; G17-V39 PolarHBondContact N-O 3.5Å; G17-D40 PolarHBondContact N-OD2 2.85Å
18A98Very high98.3Very high2 Ų226.2 Ų26.22%0.01714%0.141CC..THydrogen-bonded Turntrans-83.8-15.5177.800000112.6G16 I38 D40 N45G16-A18 PolarHBondContact O-N 3.06Å; A18-I38 HydrophobicContact CB-CG2 4.36Å; A18-D40 HydrophobicContact CB-CB 3.86Å; A18-D40 WeakPolarHBondContact CB-OD2 3.41Å; A18-D40 PolarHBondContact N-OD2 3.25Å; A18-N45 PolarHBondContact O-OD1 3.5Å
19S97.1Very high98.4Very high56 Ų5618.3 Ų18.339%0.39211%0.107SC..SBendtrans-143.3165.8-176.276.60000114.5G16 L21 G22 R23G16-S19 PolarHBondContact O-N 3.17Å; G16-S19 VanDerWaalsContact O-O 3.09Å; S19-L21 PolarHBondContact O-N 3.46Å; S19-G22 PolarHBondContact O-N 3.39Å; S19-R23 PolarHBondContact O-N 2.99Å
20G96.7Very high98.5Very high15 Ų1517 Ų1716%0.1559%0.09CC..Hα-helixtrans49.2-127.8168.300000114.9A24G20-A24 PolarHBondContact O-N 2.92Å; G20-A24 VanDerWaalsContact O-N 3.16Å
21L98.5Very high98.5Very high24 Ų2423.2 Ų23.213%0.12612%0.119CC..Hα-helixtrans-65.3-38.6-176.5-56.3-176.4000112.9S19 T25 T152 P197 F200 T202 P229 F232S19-L21 PolarHBondContact O-N 3.46Å; L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 PolarHBondContact O-N 2.84Å; L21-T25 VanDerWaalsContact O-N 3.08Å; L21-T25 PolarHBondContact O-OG1 2.96Å; L21-T152 HydrophobicContact CD1-CG2 4.2Å; L21-P197 HydrophobicContact CD1-CB 4.4Å; L21-P197 HydrophobicContact CD1-CG 3.97Å; L21-F200 HydrophobicContact CD2-CB 3.97Å; L21-F200 HydrophobicContact CD2-CD1 3.72Å; L21-F200 HydrophobicContact CD2-CE1 4.46Å; L21-F200 HydrophobicContact CD2-CG 3.91Å; L21-T202 HydrophobicContact CD2-CG2 3.88Å; L21-T202 HydrophobicContact CG-CG2 3.95Å; L21-P229 HydrophobicContact CD2-CB 4.14Å; L21-P229 HydrophobicContact CD2-CG 4.4Å; L21-F232 HydrophobicContact CB-CD1 3.74Å; L21-F232 HydrophobicContact CB-CE1 3.96Å; L21-F232 HydrophobicContact CB-CG 4.17Å; L21-F232 HydrophobicContact CD1-CD1 4.47Å; L21-F232 HydrophobicContact CD1-CD2 4.04Å; L21-F232 HydrophobicContact CD1-CE2 4.19Å; L21-F232 HydrophobicContact CD1-CG 4.19Å; L21-F232 HydrophobicContact CD1-CZ 4.48Å; L21-F232 HydrophobicContact CD2-CB 3.86Å; L21-F232 HydrophobicContact CD2-CD1 4.38Å; L21-F232 HydrophobicContact CD2-CG 4.02Å; L21-F232 HydrophobicContact CG-CD1 4.41Å; L21-F232 HydrophobicContact CG-CG 4.34Å
22G98.6Very high98.5Very high1 Ų126.2 Ų26.21%0.0114%0.135CC..Hα-helixtrans-66-47.1178.400000111.2G16 S19 A24 T25 V26G16-G22 WeakPolarHBondContact O-CA 3.39Å; S19-G22 PolarHBondContact O-N 3.39Å; G22-A24 PolarHBondContact O-N 2.97Å; G22-T25 VanDerWaalsContact O-CB 3.31Å; G22-T25 WeakPolarHBondContact O-CB 3.39Å; G22-T25 PolarHBondContact O-N 3.07Å; G22-T25 VanDerWaalsContact O-N 3.13Å; G22-V26 WeakPolarHBondContact O-CG2 3.34Å; G22-V26 PolarHBondContact O-N 2.91Å
23R98.6Very high98.4Very high89 Ų8926.7 Ų26.734%0.33614%0.14SC..Hα-helixtrans-58.9-48.3176.6177.3173.7168.1169.41112.5G17 S19 T25 V26 E27 V49G17-R23 WeakPolarHBondContact O-CA 3.3Å; G17-R23 WeakPolarHBondContact O-CB 3.38Å; G17-R23 PolarHBondContact O-N 2.95Å; S19-R23 PolarHBondContact O-N 2.99Å; R23-T25 PolarHBondContact O-N 2.93Å; R23-V26 WeakPolarHBondContact O-CB 3.49Å; R23-V26 PolarHBondContact O-N 3.25Å; R23-V26 VanDerWaalsContact O-N 3.11Å; R23-E27 HydrophobicContact CG-CG 4.31Å; R23-E27 IonicContact CZ-OE1 2.74Å; R23-E27 IonicContact NE-OE1 3.17Å; R23-E27 PolarHBondContact NE-OE1 3.38Å; R23-E27 IonicContact NH2-OE1 3.43Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 2.79Å; R23-V49 HydrophobicContact CG-CG1 4.17Å
24A98.8Very high98.4Very high11 Ų1126.7 Ų26.79%0.09114%0.14CC..Hα-helixtrans-60.2-35.1177.700000112G20 G22 R28 P229 A233G20-A24 PolarHBondContact O-N 2.92Å; G20-A24 VanDerWaalsContact O-N 3.16Å; G22-A24 PolarHBondContact O-N 2.97Å; A24-R28 VanDerWaalsContact O-CB 3.32Å; A24-R28 WeakPolarHBondContact O-CB 3.47Å; A24-R28 PolarHBondContact O-N 2.94Å; A24-P229 VanDerWaalsContact CB-C 3.49Å; A24-P229 HydrophobicContact CB-CB 3.48Å; A24-P229 VanDerWaalsContact CB-CB 3.48Å; A24-P229 WeakPolarHBondContact CB-O 3.37Å; A24-A233 VanDerWaalsContact C-CB 3.49Å; A24-A233 HydrophobicContact CB-CB 4.14Å; A24-A233 VanDerWaalsContact O-CB 3.32Å; A24-A233 WeakPolarHBondContact O-CB 3.49Å
25T98.9Very high98.4Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-64.2-47174.1-59.40000111.7V14 L21 G22 R23 R28 L29 V88 V236V14-T25 HydrophobicContact CG1-CG2 4.41Å; V14-T25 HydrophobicContact CG2-CG2 4.11Å; L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 PolarHBondContact O-N 2.84Å; L21-T25 VanDerWaalsContact O-N 3.08Å; L21-T25 PolarHBondContact O-OG1 2.96Å; G22-T25 VanDerWaalsContact O-CB 3.31Å; G22-T25 WeakPolarHBondContact O-CB 3.39Å; G22-T25 PolarHBondContact O-N 3.07Å; G22-T25 VanDerWaalsContact O-N 3.13Å; R23-T25 PolarHBondContact O-N 2.93Å; T25-R28 PolarHBondContact O-N 3.3Å; T25-L29 HydrophobicContact CG2-CD1 4.14Å; T25-L29 HydrophobicContact CG2-CG 4.48Å; T25-L29 WeakPolarHBondContact O-CB 3.31Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.3Å; T25-L29 PolarHBondContact O-N 2.99Å; T25-V88 HydrophobicContact CG2-CB 4.46Å; T25-V88 HydrophobicContact CG2-CG1 4.32Å; T25-V88 HydrophobicContact CG2-CG2 4.15Å; T25-V236 HydrophobicContact CG2-CB 4.3Å; T25-V236 HydrophobicContact CG2-CG1 3.73Å; T25-V236 HydrophobicContact CG2-CG2 4.45Å
26V98.9Very high98.4Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-60.1-49.1177.5171.60000110.8V14 G22 R23 R28 L29 V30 A36 I38 L53V14-V26 HydrophobicContact CB-CG2 3.6Å; V14-V26 HydrophobicContact CG1-CG2 3.93Å; V14-V26 HydrophobicContact CG2-CG2 3.76Å; G22-V26 WeakPolarHBondContact O-CG2 3.34Å; G22-V26 PolarHBondContact O-N 2.91Å; R23-V26 WeakPolarHBondContact O-CB 3.49Å; R23-V26 PolarHBondContact O-N 3.25Å; R23-V26 VanDerWaalsContact O-N 3.11Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 3.04Å; V26-L29 PolarHBondContact O-N 3.4Å; V26-V30 WeakPolarHBondContact O-CG2 3.24Å; V26-V30 PolarHBondContact O-N 2.97Å; V26-A36 HydrophobicContact CB-CB 4.48Å; V26-A36 HydrophobicContact CG1-CB 3.83Å; V26-I38 HydrophobicContact CB-CG1 4.42Å; V26-I38 HydrophobicContact CG1-CD1 4.03Å; V26-I38 HydrophobicContact CG1-CG1 3.78Å; V26-I38 HydrophobicContact CG2-CG1 3.91Å; V26-L53 HydrophobicContact CG1-CD1 3.57Å
27E98.8Very high98.4Very high51 Ų5127.2 Ų27.224%0.23814%0.142CC..Hα-helixtrans-57.3-47.4178.3-71.7173172.100110.7R23 V30 Q31 L53R23-E27 HydrophobicContact CG-CG 4.31Å; R23-E27 IonicContact CZ-OE1 2.74Å; R23-E27 IonicContact NE-OE1 3.17Å; R23-E27 PolarHBondContact NE-OE1 3.38Å; R23-E27 IonicContact NH2-OE1 3.43Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 2.79Å; E27-V30 PolarHBondContact O-N 3.42Å; E27-Q31 WeakPolarHBondContact O-CB 3.47Å; E27-Q31 WeakPolarHBondContact O-CG 3.42Å; E27-Q31 PolarHBondContact O-N 3.25Å; E27-L53 HydrophobicContact CG-CD1 4.17Å; E27-L53 HydrophobicContact CG-CD2 4.18Å
28R98.8Very high98.5Very high62 Ų6227.2 Ų27.223%0.23414%0.142CC..Hα-helixtrans-64.3-42.8179.1-172.9178.5174.877.511.6112.8A24 T25 V26 Q31 N32 A233 H234 T237A24-R28 VanDerWaalsContact O-CB 3.32Å; A24-R28 WeakPolarHBondContact O-CB 3.47Å; A24-R28 PolarHBondContact O-N 2.94Å; T25-R28 PolarHBondContact O-N 3.3Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 3.04Å; R28-Q31 PolarHBondContact O-N 2.77Å; R28-N32 PolarHBondContact O-N 3.36Å; R28-N32 PolarHBondContact O-ND2 2.95Å; R28-A233 HydrophobicContact CB-CB 3.92Å; R28-A233 VanDerWaalsContact CD-O 3.31Å; R28-A233 WeakPolarHBondContact CD-O 3.37Å; R28-H234 PolarHBondContact NH2-CD2 2.98Å; R28-H234 VanDerWaalsContact NH2-CD2 3.31Å; R28-T237 HydrophobicContact CG-CG2 4.05Å; R28-T237 PolarHBondContact NE-OG1 3.42Å
29L98.8Very high98.5Very high1 Ų127.1 Ų27.11%0.00514%0.142CC..Hα-helixtrans-57.9-50.1176.8-76.6172.8000110.7L7 V14 T25 V26 Q31 N32 G33 A34 L86 T237L7-L29 HydrophobicContact CD2-CD2 4.32Å; V14-L29 HydrophobicContact CG2-CD1 4.01Å; T25-L29 HydrophobicContact CG2-CD1 4.14Å; T25-L29 HydrophobicContact CG2-CG 4.48Å; T25-L29 WeakPolarHBondContact O-CB 3.31Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.3Å; T25-L29 PolarHBondContact O-N 2.99Å; V26-L29 PolarHBondContact O-N 3.4Å; L29-Q31 PolarHBondContact O-N 2.91Å; L29-N32 CarbonylContact O-C 3.38Å; L29-N32 PolarHBondContact O-N 2.81Å; L29-G33 PolarHBondContact O-N 3.37Å; L29-A34 HydrophobicContact CB-CB 4.04Å; L29-A34 HydrophobicContact CD2-CB 4.2Å; L29-A34 VanDerWaalsContact O-CB 3.3Å; L29-A34 WeakPolarHBondContact O-CB 3.31Å; L29-A34 PolarHBondContact O-N 3.18Å; L29-L86 HydrophobicContact CD1-CD2 4.23Å; L29-L86 HydrophobicContact CD2-CD2 3.98Å; L29-T237 HydrophobicContact CD2-CG2 4.22Å
30V98.7Very high98.6Very high14 Ų1425.8 Ų25.89%0.08513%0.13CC..Hα-helixtrans-62.7-43.1179.6173.90000111.5V26 E27 N32 G33 A36 L53 R56 C57V26-V30 WeakPolarHBondContact O-CG2 3.24Å; V26-V30 PolarHBondContact O-N 2.97Å; E27-V30 PolarHBondContact O-N 3.42Å; V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 3.35Å; V30-G33 PolarHBondContact O-N 3.4Å; V30-A36 HydrophobicContact CG2-CB 4.11Å; V30-L53 HydrophobicContact CG1-CB 4.49Å; V30-R56 HydrophobicContact CG1-CB 4.14Å; V30-R56 HydrophobicContact CG2-CB 4.46Å; V30-C57 HydrophobicContact CG2-CB 4.43Å
31Q98.3Very high98.7Very high147 Ų14728.8 Ų28.869%0.68714%0.142SC*.Hα-helixtrans-59.6-34.3176.2-74.4166.98.100112.6E27 R28 L29 G33E27-Q31 WeakPolarHBondContact O-CB 3.47Å; E27-Q31 WeakPolarHBondContact O-CG 3.42Å; E27-Q31 PolarHBondContact O-N 3.25Å; R28-Q31 PolarHBondContact O-N 2.77Å; L29-Q31 PolarHBondContact O-N 2.91Å; Q31-G33 VanDerWaalsContact C-N 3.28Å; Q31-G33 PolarHBondContact O-N 3.05Å
32N98.4Very high98.7Very high66 Ų6631.8 Ų31.835%0.35316%0.163SC..THydrogen-bonded Turntrans-8910.5177.9-71.9-85.6000113.6L7 R28 L29 V30L7-N32 HydrophobicContact CB-CB 4.15Å; L7-N32 HydrophobicContact CD1-CB 3.69Å; R28-N32 PolarHBondContact O-N 3.36Å; R28-N32 PolarHBondContact O-ND2 2.95Å; L29-N32 CarbonylContact O-C 3.38Å; L29-N32 PolarHBondContact O-N 2.81Å; V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 3.35Å
33G98.2Very high98.6Very high12 Ų1237.1 Ų37.112%0.12420%0.2CC..THydrogen-bonded Turntrans84.311.817300000115.7G9 L29 V30 Q31G9-G33 PolarHBondContact N-O 3.19Å; L29-G33 PolarHBondContact O-N 3.37Å; V30-G33 PolarHBondContact O-N 3.4Å; Q31-G33 VanDerWaalsContact C-N 3.28Å; Q31-G33 PolarHBondContact O-N 3.05Å
34A98.7Very high98.6Very high0 Ų034.4 Ų34.40%020%0.195CC..  trans-78.2169.1165.500000110.8L7 M10 L29L7-A34 WeakPolarHBondContact O-CB 3.44Å; M10-A34 HydrophobicContact CB-CB 4.25Å; M10-A34 CarbonylContact O-C 3.54Å; M10-A34 VanDerWaalsContact O-CA 3.31Å; M10-A34 WeakPolarHBondContact O-CA 3.27Å; M10-A34 WeakPolarHBondContact O-CB 3.3Å; L29-A34 HydrophobicContact CB-CB 4.04Å; L29-A34 HydrophobicContact CD2-CB 4.2Å; L29-A34 VanDerWaalsContact O-CB 3.3Å; L29-A34 WeakPolarHBondContact O-CB 3.31Å; L29-A34 PolarHBondContact O-N 3.18Å
35S98.9Very high98.5Very high20 Ų2037.2 Ų37.214%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-104.9152.1163.6-56.60000109.8M10 V11 G12 R56M10-S35 PolarHBondContact O-N 3.08Å; V11-S35 WeakPolarHBondContact CA-O 2.99Å; G12-S35 PolarHBondContact N-O 2.78Å; S35-R56 CarbonylContact C-O 3.52Å; S35-R56 WeakPolarHBondContact CA-O 3.32Å; S35-R56 WeakPolarHBondContact CB-O 3.32Å
36A98.8Very high98.5Very high0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-135.1137.1-177.700000112.2G12 V26 V30 R56 C57 A58G12-A36 CarbonylContact O-C 3.5Å; G12-A36 VanDerWaalsContact O-CA 3.27Å; G12-A36 WeakPolarHBondContact O-CA 3.38Å; V26-A36 HydrophobicContact CB-CB 4.48Å; V26-A36 HydrophobicContact CG1-CB 3.83Å; V30-A36 HydrophobicContact CG2-CB 4.11Å; A36-R56 PolarHBondContact N-O 3.05Å; A36-C57 CarbonylContact O-C 3.48Å; A36-C57 VanDerWaalsContact O-CA 3.27Å; A36-C57 WeakPolarHBondContact O-CA 3.4Å; A36-A58 PolarHBondContact O-N 3.36Å
37V98.9Very high98.4Very high0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-103.8114.2164.9-179.90000107.7G12 V14 V39 A58 A60 L76 A77 F81G12-V37 PolarHBondContact O-N 2.76Å; V14-V37 PolarHBondContact N-O 2.85Å; V37-V39 HydrophobicContact CG1-CG2 4.21Å; V37-A58 CarbonylContact C-O 3.53Å; V37-A58 WeakPolarHBondContact CA-O 3.4Å; V37-A58 HydrophobicContact CG2-CB 4.49Å; V37-A60 HydrophobicContact CG1-CB 3.9Å; V37-L76 HydrophobicContact CG1-CD2 4.18Å; V37-A77 HydrophobicContact CG2-CB 3.86Å; V37-F81 HydrophobicContact CG2-CD2 4.01Å; V37-F81 HydrophobicContact CG2-CE2 3.77Å
38I98.9Very high98.4Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-74124.5167.8-61.5176.8000107.6G17 A18 V26 D40 V49 A50 A58 F59 A60G17-I38 VanDerWaalsContact C-CG2 3.49Å; A18-I38 HydrophobicContact CB-CG2 4.36Å; V26-I38 HydrophobicContact CB-CG1 4.42Å; V26-I38 HydrophobicContact CG1-CD1 4.03Å; V26-I38 HydrophobicContact CG1-CG1 3.78Å; V26-I38 HydrophobicContact CG2-CG1 3.91Å; I38-D40 HydrophobicContact CG2-CB 4.31Å; I38-V49 HydrophobicContact CD1-CB 3.93Å; I38-V49 HydrophobicContact CD1-CG1 3.6Å; I38-A50 HydrophobicContact CD1-CB 4.09Å; I38-A58 PolarHBondContact N-O 2.77Å; I38-F59 HydrophobicContact CB-CD2 4.05Å; I38-F59 HydrophobicContact CG2-CD2 3.75Å; I38-F59 HydrophobicContact CG2-CE2 4.19Å; I38-A60 PolarHBondContact O-N 3.27Å
39V98.9Very high98.4Very high0 Ų045.1 Ų45.10%025%0.248CC..EExtended strand (participates in β ladder)trans-112.6119.1168.5-178.60000107.1L13 V14 T15 G16 G17 V37 A60 A62 M70 A73L13-V39 HydrophobicContact CD1-CG2 3.94Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; L13-V39 HydrophobicContact CG-CG2 3.65Å; V14-V39 PolarHBondContact O-N 2.97Å; T15-V39 CarbonylContact C-O 3.39Å; T15-V39 VanDerWaalsContact CA-O 3.24Å; T15-V39 WeakPolarHBondContact CA-O 3.42Å; T15-V39 HydrophobicContact CG2-CB 4.12Å; T15-V39 HydrophobicContact CG2-CG1 4.21Å; G16-V39 PolarHBondContact N-O 3.45Å; G17-V39 PolarHBondContact N-O 3.5Å; V37-V39 HydrophobicContact CG1-CG2 4.21Å; V39-A60 HydrophobicContact CG2-CB 4.32Å; V39-A62 HydrophobicContact CG1-CB 3.78Å; V39-M70 HydrophobicContact CG1-CE 4.22Å; V39-M70 HydrophobicContact CG1-SD 3.73Å; V39-A73 HydrophobicContact CG1-CB 4.38Å; V39-A73 HydrophobicContact CG2-CB 3.89Å
40D98.8Very high98.4Very high29 Ų2945.3 Ų45.316%0.15525%0.25CC..EExtended strand (participates in β ladder)trans-159.3169.2178.5-145.4-46.2000108.7G16 G17 A18 I38 S44 F59 P61 A62G16-D40 WeakPolarHBondContact CA-OD2 3.47Å; G17-D40 PolarHBondContact N-OD2 2.85Å; A18-D40 HydrophobicContact CB-CB 3.86Å; A18-D40 WeakPolarHBondContact CB-OD2 3.41Å; A18-D40 PolarHBondContact N-OD2 3.25Å; I38-D40 HydrophobicContact CG2-CB 4.31Å; D40-S44 WeakPolarHBondContact CB-OG 2.97Å; D40-F59 HydrophobicContact CB-CE2 4.01Å; D40-P61 CarbonylContact O-C 3.57Å; D40-P61 WeakPolarHBondContact O-CA 3.42Å; D40-A62 CarbonylContact C-O 3.6Å; D40-A62 PolarHBondContact O-N 2.96Å
41L98.5Very high98.3Very high78 Ų7847.1 Ų47.141%0.40827%0.272SS..  trans-59.2148.8-177.6-69.2173.6000111.1S43 S44 D63L41-S43 PolarHBondContact O-N 3.19Å; L41-S43 VanDerWaalsContact O-N 3.08Å; L41-S44 WeakPolarHBondContact O-CB 3.29Å; L41-S44 PolarHBondContact O-N 2.8Å; L41-S44 PolarHBondContact O-OG 3.44Å; L41-D63 HydrophobicContact CD2-CB 4.08Å
42P98.1Very high98.3Very high87 Ų8744.1 Ų44.157%0.56527%0.267SS*.THydrogen-bonded Turntrans-55.3-28.4176.8-22.929.9000114S44 P61P42-S44 VanDerWaalsContact C-N 3.31Å; P42-P61 HydrophobicContact CB-CB 3.99Å; P42-P61 HydrophobicContact CG-CB 4Å
43S97.6Very high98.3Very high112 Ų11242.7 Ų42.778%0.78326%0.259SS*.THydrogen-bonded Turntrans-80.1-6.2177.753.70000114.4L41L41-S43 PolarHBondContact O-N 3.19Å; L41-S43 VanDerWaalsContact O-N 3.08Å
44S97.9Very high98.3Very high32 Ų3243.7 Ų43.722%0.22427%0.27CS..SBendtrans-73.5168.4176.373.70000111.8D40 L41 P42 G46D40-S44 WeakPolarHBondContact CB-OG 2.97Å; L41-S44 WeakPolarHBondContact O-CB 3.29Å; L41-S44 PolarHBondContact O-N 2.8Å; L41-S44 PolarHBondContact O-OG 3.44Å; P42-S44 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.45Å; S44-G46 PolarHBondContact OG-N 3.3Å
45N97.1Very high98.2Very high71 Ų7151 Ų5138%0.3831%0.308SS..SBendtrans-82.120.5170.164.9-26.4000113.1A18 Q47 E48 V49A18-N45 PolarHBondContact O-OD1 3.5Å; N45-Q47 VanDerWaalsContact C-N 3.25Å; N45-Q47 PolarHBondContact O-N 3.19Å; N45-E48 WeakPolarHBondContact O-CB 3.43Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-E48 VanDerWaalsContact O-N 3.08Å; N45-V49 WeakPolarHBondContact O-CG2 3.32Å; N45-V49 PolarHBondContact O-N 2.7Å
46G98.2Very high98.1Very high0 Ų056.1 Ų56.10%033%0.325CS..Hα-helixtrans-57.7-34.1-174.600000114.1S44 V49 A50 F59S44-G46 PolarHBondContact O-N 3.45Å; S44-G46 PolarHBondContact OG-N 3.3Å; G46-V49 PolarHBondContact O-N 3.32Å; G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 3.23Å; G46-F59 VanDerWaalsContact C-CG 3.48Å
47Q98.2Very high98.1Very high129 Ų12956.3 Ų56.360%0.60333%0.326SS*.Hα-helixtrans-65.1-41.8176.5-174.160.54300112.4N45 G51 F59N45-Q47 VanDerWaalsContact C-N 3.25Å; N45-Q47 PolarHBondContact O-N 3.19Å; Q47-G51 PolarHBondContact O-N 2.93Å; Q47-F59 HydrophobicContact CB-CD1 3.82Å; Q47-F59 HydrophobicContact CB-CE1 4.34Å
48E98.3Very high98.1Very high146 Ų14656.6 Ų56.668%0.68233%0.328SS*.Hα-helixtrans-67.4-46.3177.6-174.8-170.5163.900110.6N45 A50 G51 S52N45-E48 WeakPolarHBondContact O-CB 3.43Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-E48 VanDerWaalsContact O-N 3.08Å; E48-A50 PolarHBondContact O-N 2.63Å; E48-G51 PolarHBondContact O-N 2.95Å; E48-S52 PolarHBondContact O-N 2.84Å
49V98.2Very high98.1Very high3 Ų357.8 Ų57.82%0.01833%0.334CS..Hα-helixtrans-59-48.9177.6178.50000110.3R23 I38 N45 G46 G51 S52 L53R23-V49 HydrophobicContact CG-CG1 4.17Å; I38-V49 HydrophobicContact CD1-CB 3.93Å; I38-V49 HydrophobicContact CD1-CG1 3.6Å; N45-V49 WeakPolarHBondContact O-CG2 3.32Å; N45-V49 PolarHBondContact O-N 2.7Å; G46-V49 PolarHBondContact O-N 3.32Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-N 3.49Å; V49-S52 PolarHBondContact O-OG 3.01Å; V49-L53 HydrophobicContact CG1-CD1 4.31Å; V49-L53 WeakPolarHBondContact O-CG 3.5Å; V49-L53 PolarHBondContact O-N 3.31Å
50A98.4Very high98.1Very high5 Ų558.1 Ų58.14%0.04134%0.336CS..Hα-helixtrans-60.4-41.2176.800000112.2I38 G46 E48 S52 L53 G54 C57 F59I38-A50 HydrophobicContact CD1-CB 4.09Å; G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 3.23Å; E48-A50 PolarHBondContact O-N 2.63Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 2.87Å; A50-L53 PolarHBondContact O-N 2.79Å; A50-G54 PolarHBondContact O-N 3.34Å; A50-C57 HydrophobicContact CB-CB 4.37Å; A50-F59 HydrophobicContact CB-CB 3.92Å
51G98.3Very high98.1Very high53 Ų5360.2 Ų60.255%0.54635%0.351SS..Hα-helixtrans-59.1-42.6175.700000112.8Q47 E48 V49 L53 G54Q47-G51 PolarHBondContact O-N 2.93Å; E48-G51 PolarHBondContact O-N 2.95Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 2.88Å; G51-L53 PolarHBondContact O-N 2.73Å; G51-G54 PolarHBondContact O-N 3.28Å
52S98.1Very high98.1Very high83 Ų8356.6 Ų56.658%0.5833%0.333SS*.Hα-helixtrans-65.7-22.7178.676.80000114E48 V49 A50E48-S52 PolarHBondContact O-N 2.84Å; V49-S52 PolarHBondContact O-N 3.49Å; V49-S52 PolarHBondContact O-OG 3.01Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 2.87Å
53L98Very high98.1Very high36 Ų3655.1 Ų55.119%0.18832%0.321CS..THydrogen-bonded Turntrans-97.20.3-179.7-63.7176.2000113.5V26 E27 V30 V49 A50 G51 C57V26-L53 HydrophobicContact CG1-CD1 3.57Å; E27-L53 HydrophobicContact CG-CD1 4.17Å; E27-L53 HydrophobicContact CG-CD2 4.18Å; V30-L53 HydrophobicContact CG1-CB 4.49Å; V49-L53 HydrophobicContact CG1-CD1 4.31Å; V49-L53 WeakPolarHBondContact O-CG 3.5Å; V49-L53 PolarHBondContact O-N 3.31Å; A50-L53 PolarHBondContact O-N 2.79Å; G51-L53 PolarHBondContact O-N 2.73Å; L53-C57 HydrophobicContact CB-CB 3.6Å; L53-C57 HydrophobicContact CD1-CB 4.39Å
54G96.9Very high98.2Very high34 Ų3450.4 Ų50.435%0.35129%0.287SS..G310 helixtrans66.8-155.7172.900000114.6A50 G51 R56 C57A50-G54 PolarHBondContact O-N 3.34Å; G51-G54 PolarHBondContact O-N 3.28Å; G54-R56 PolarHBondContact O-N 3.36Å; G54-C57 PolarHBondContact O-N 2.99Å
55N96.9Very high98.2Very high152 Ų15251.1 Ų51.181%0.81329%0.29SS*.G310 helixtrans-66.4-16.6-166.5-66.9-16000115.1C57 F81N55-C57 VanDerWaalsContact C-N 3.26Å; N55-F81 WeakPolarHBondContact O-CE1 3.45Å
56R97.9Very high98.3Very high129 Ų12949.4 Ų49.449%0.48728%0.283SS..G310 helixtrans-82.8-2.4175.2-76.4-172-86.9-166.2-0.7113.1V30 S35 A36 G54V30-R56 HydrophobicContact CG1-CB 4.14Å; V30-R56 HydrophobicContact CG2-CB 4.46Å; S35-R56 CarbonylContact C-O 3.52Å; S35-R56 WeakPolarHBondContact CA-O 3.32Å; S35-R56 WeakPolarHBondContact CB-O 3.32Å; A36-R56 PolarHBondContact N-O 3.05Å; G54-R56 PolarHBondContact O-N 3.36Å
57C98.8Very high98.3Very high3 Ų354 Ų542%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-118.9151175.6-158.50000111.6V30 A36 A50 L53 G54 N55 K80V30-C57 HydrophobicContact CG2-CB 4.43Å; A36-C57 CarbonylContact O-C 3.48Å; A36-C57 VanDerWaalsContact O-CA 3.27Å; A36-C57 WeakPolarHBondContact O-CA 3.4Å; A50-C57 HydrophobicContact CB-CB 4.37Å; L53-C57 HydrophobicContact CB-CB 3.6Å; L53-C57 HydrophobicContact CD1-CB 4.39Å; G54-C57 PolarHBondContact O-N 2.99Å; N55-C57 VanDerWaalsContact C-N 3.26Å; C57-K80 PolarHBondContact O-NZ 3.16Å
58A98.8Very high98.3Very high6 Ų650.8 Ų50.85%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-143.1152.3172.100000109.5A36 V37 I38 L76 K80 F81A36-A58 PolarHBondContact O-N 3.36Å; V37-A58 CarbonylContact C-O 3.53Å; V37-A58 WeakPolarHBondContact CA-O 3.4Å; V37-A58 HydrophobicContact CG2-CB 4.49Å; I38-A58 PolarHBondContact N-O 2.77Å; A58-L76 HydrophobicContact CB-CD2 4.16Å; A58-K80 HydrophobicContact CB-CD 3.65Å; A58-F81 HydrophobicContact CB-CE2 4.1Å; A58-F81 HydrophobicContact CB-CZ 4.18Å
59F98.8Very high98.4Very high25 Ų2546.2 Ų46.211%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-109130.7173178-129.5000110I38 D40 G46 Q47 A50 P61I38-F59 HydrophobicContact CB-CD2 4.05Å; I38-F59 HydrophobicContact CG2-CD2 3.75Å; I38-F59 HydrophobicContact CG2-CE2 4.19Å; D40-F59 HydrophobicContact CB-CE2 4.01Å; G46-F59 VanDerWaalsContact C-CG 3.48Å; Q47-F59 HydrophobicContact CB-CD1 3.82Å; Q47-F59 HydrophobicContact CB-CE1 4.34Å; A50-F59 HydrophobicContact CB-CB 3.92Å; F59-P61 HydrophobicContact CD1-CB 4.49Å; F59-P61 HydrophobicContact CE1-CB 3.7Å; F59-P61 HydrophobicContact CE1-CG 4.24Å; F59-P61 HydrophobicContact CZ-CB 3.75Å
60A98.7Very high98.4Very high7 Ų746.1 Ų46.16%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-114.1100.6168.500000108V37 I38 V39 A62 A73 L76V37-A60 HydrophobicContact CG1-CB 3.9Å; I38-A60 PolarHBondContact O-N 3.27Å; V39-A60 HydrophobicContact CG2-CB 4.32Å; A60-A62 PolarHBondContact O-N 2.97Å; A60-A73 HydrophobicContact CB-CB 3.69Å; A60-L76 HydrophobicContact CB-CD2 3.87Å
61P98.6Very high98.4Very high73 Ų7349.7 Ų49.747%0.47430%0.298SS..EExtended strand (participates in β ladder)trans-66.5117.9174.627.6-32.8000109.2D40 P42 F59D40-P61 CarbonylContact O-C 3.57Å; D40-P61 WeakPolarHBondContact O-CA 3.42Å; P42-P61 HydrophobicContact CB-CB 3.99Å; P42-P61 HydrophobicContact CG-CB 4Å; F59-P61 HydrophobicContact CD1-CB 4.49Å; F59-P61 HydrophobicContact CE1-CB 3.7Å; F59-P61 HydrophobicContact CE1-CG 4.24Å; F59-P61 HydrophobicContact CZ-CB 3.75Å
62A98.6Very high98.4Very high3 Ų352.9 Ų52.93%0.02530%0.302CS..  trans-159.9143-17100000112.3V39 D40 A60 D69 M70 A73V39-A62 HydrophobicContact CG1-CB 3.78Å; D40-A62 CarbonylContact C-O 3.6Å; D40-A62 PolarHBondContact O-N 2.96Å; A60-A62 PolarHBondContact O-N 2.97Å; A62-D69 HydrophobicContact CB-CB 3.69Å; A62-M70 HydrophobicContact CB-SD 4.45Å; A62-A73 HydrophobicContact CB-CB 4.43Å
63D98.7Very high98.4Very high56 Ų5649 Ų4930%0.29928%0.275SS..  trans-89.8124.9162.8-169.6-32.7000109.8L41 T65 S66 D69L41-D63 HydrophobicContact CD2-CB 4.08Å; D63-T65 PolarHBondContact O-N 2.94Å; D63-T65 VanDerWaalsContact O-N 3.1Å; D63-T65 WeakPolarHBondContact OD1-CB 3.29Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.33Å; D63-T65 PolarHBondContact OD1-N 3.47Å; D63-T65 PolarHBondContact OD1-OG1 3.46Å; D63-T65 PolarHBondContact OD2-OG1 3.13Å; D63-S66 WeakPolarHBondContact O-CB 3.31Å; D63-S66 PolarHBondContact O-N 3.27Å; D63-D69 PolarHBondContact N-OD2 3.11Å
64V98.8Very high98.4Very high12 Ų1247.7 Ų47.77%0.07327%0.268CS..THydrogen-bonded Turntrans-61.6-19.5178.3-65.50000113.1T15 M70 A91 G123 N126 V127T15-V64 HydrophobicContact CG2-CG1 4.01Å; V64-M70 HydrophobicContact CG1-SD 4.2Å; V64-A91 HydrophobicContact CG1-CB 3.88Å; V64-A91 HydrophobicContact CG2-CB 4.34Å; V64-G123 WeakPolarHBondContact O-CA 3.19Å; V64-N126 WeakPolarHBondContact O-CB 3.46Å; V64-N126 PolarHBondContact O-ND2 3.08Å; V64-V127 HydrophobicContact CB-CG2 4.19Å; V64-V127 HydrophobicContact CG1-CG2 4Å
65T98.6Very high98.5Very high48 Ų4848.3 Ų48.329%0.29427%0.267SS..THydrogen-bonded Turntrans-83.4-13.1175.970.20000113.2D63 N118 V119D63-T65 PolarHBondContact O-N 2.94Å; D63-T65 VanDerWaalsContact O-N 3.1Å; D63-T65 WeakPolarHBondContact OD1-CB 3.29Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.33Å; D63-T65 PolarHBondContact OD1-N 3.47Å; D63-T65 PolarHBondContact OD1-OG1 3.46Å; D63-T65 PolarHBondContact OD2-OG1 3.13Å; T65-N118 WeakPolarHBondContact CG2-ND2 3.47Å; T65-V119 HydrophobicContact CG2-CG2 4.15Å
66S98.8Very high98.5Very high34 Ų3443.4 Ų43.424%0.23824%0.241CC..  trans-92120.3175.7172.80000110.9D63 A68 D69 M70 N126D63-S66 WeakPolarHBondContact O-CB 3.31Å; D63-S66 PolarHBondContact O-N 3.27Å; S66-A68 VanDerWaalsContact C-N 3.35Å; S66-D69 VanDerWaalsContact CB-CG 3.42Å; S66-D69 WeakPolarHBondContact CB-OD1 3.31Å; S66-D69 PolarHBondContact OG-N 2.77Å; S66-D69 PolarHBondContact OG-OD1 3.01Å; S66-M70 WeakPolarHBondContact O-CG 3.48Å; S66-M70 PolarHBondContact O-N 3.28Å; S66-N126 PolarHBondContact O-ND2 2.86Å
67E98.6Very high98.6Very high98 Ų9837.3 Ų37.346%0.45822%0.218SC..Hα-helixtrans-62.2-43172.7175.7173.5-111.900111.6D69 M70 L71 R129 L130E67-D69 PolarHBondContact O-N 2.86Å; E67-M70 PolarHBondContact O-N 3.03Å; E67-L71 HydrophobicContact CG-CD1 3.91Å; E67-L71 HydrophobicContact CG-CG 4.31Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 WeakPolarHBondContact O-CG 3.2Å; E67-L71 PolarHBondContact O-N 3.46Å; E67-R129 VanDerWaalsContact CD-NH2 3.3Å; E67-R129 IonicContact OE1-CZ 3.44Å; E67-R129 IonicContact OE1-NH1 2.75Å; E67-R129 PolarHBondContact OE1-NH1 3.18Å; E67-R129 IonicContact OE1-NH2 2.67Å; E67-R129 PolarHBondContact OE1-NH2 3.36Å; E67-L130 HydrophobicContact CG-CD1 4.41Å
68A98.6Very high98.4Very high60 Ų6042 Ų4250%0.49624%0.235SC..Hα-helixtrans-62.7-44.7-177.600000111.5S66 L71 L72S66-A68 VanDerWaalsContact C-N 3.35Å; A68-L71 PolarHBondContact O-N 3.27Å; A68-L72 WeakPolarHBondContact O-CG 3.21Å; A68-L72 PolarHBondContact O-N 3.39Å; A68-L72 VanDerWaalsContact O-N 3.16Å
69D98.6Very high98.4Very high51 Ų5149.8 Ų49.827%0.27327%0.268SS..Hα-helixtrans-62.4-46.6178.3-66.124000110.5A62 D63 S66 E67 L71 L72 A73A62-D69 HydrophobicContact CB-CB 3.69Å; D63-D69 PolarHBondContact N-OD2 3.11Å; S66-D69 VanDerWaalsContact CB-CG 3.42Å; S66-D69 WeakPolarHBondContact CB-OD1 3.31Å; S66-D69 PolarHBondContact OG-N 2.77Å; S66-D69 PolarHBondContact OG-OD1 3.01Å; E67-D69 PolarHBondContact O-N 2.86Å; D69-L71 PolarHBondContact O-N 2.91Å; D69-L72 WeakPolarHBondContact O-CB 3.31Å; D69-L72 PolarHBondContact O-N 3.08Å; D69-A73 PolarHBondContact O-N 2.89Å
70M98.6Very high98.4Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-68.7-34-178.5-73.7-53.4-44.300113L13 V39 A62 V64 S66 E67 L72 A73 V74 V127 L130L13-M70 HydrophobicContact CD2-CE 4.33Å; V39-M70 HydrophobicContact CG1-CE 4.22Å; V39-M70 HydrophobicContact CG1-SD 3.73Å; A62-M70 HydrophobicContact CB-SD 4.45Å; V64-M70 HydrophobicContact CG1-SD 4.2Å; S66-M70 WeakPolarHBondContact O-CG 3.48Å; S66-M70 PolarHBondContact O-N 3.28Å; E67-M70 PolarHBondContact O-N 3.03Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.39Å; M70-A73 HydrophobicContact CE-CB 4.2Å; M70-A73 PolarHBondContact O-N 2.8Å; M70-V74 HydrophobicContact CE-CG2 4.49Å; M70-V74 WeakPolarHBondContact O-CB 3.22Å; M70-V74 WeakPolarHBondContact O-CG2 3.45Å; M70-V74 PolarHBondContact O-N 3.11Å; M70-V127 HydrophobicContact CE-CB 4.14Å; M70-V127 HydrophobicContact CE-CG1 3.92Å; M70-V127 HydrophobicContact CE-CG2 3.64Å; M70-V127 HydrophobicContact CG-CG2 4.33Å; M70-V127 HydrophobicContact SD-CG2 3.9Å; M70-L130 HydrophobicContact CB-CD1 3.52Å
71L98.5Very high98.4Very high80 Ų8055.1 Ų55.142%0.41929%0.289SS..Hα-helixtrans-60.5-42.5171.3-81.7170.2000111.7E67 A68 D69 S75 L130E67-L71 HydrophobicContact CG-CD1 3.91Å; E67-L71 HydrophobicContact CG-CG 4.31Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 WeakPolarHBondContact O-CG 3.2Å; E67-L71 PolarHBondContact O-N 3.46Å; A68-L71 PolarHBondContact O-N 3.27Å; D69-L71 PolarHBondContact O-N 2.91Å; L71-S75 VanDerWaalsContact O-CB 3.24Å; L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 2.9Å; L71-S75 PolarHBondContact O-OG 3.33Å; L71-L130 HydrophobicContact CD2-CD1 4.44Å; L71-L130 HydrophobicContact CD2-CD2 3.72Å; L71-L130 HydrophobicContact CG-CD1 4.12Å; L71-L130 HydrophobicContact CG-CD2 4.13Å
72L98.5Very high98.3Very high121 Ų12153.3 Ų53.363%0.63428%0.284SS*.Hα-helixtrans-66.4-42.8176-68.3172.6000111.5A68 D69 M70 S75 L76A68-L72 WeakPolarHBondContact O-CG 3.21Å; A68-L72 PolarHBondContact O-N 3.39Å; A68-L72 VanDerWaalsContact O-N 3.16Å; D69-L72 WeakPolarHBondContact O-CB 3.31Å; D69-L72 PolarHBondContact O-N 3.08Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.39Å; L72-S75 PolarHBondContact O-N 2.89Å; L72-L76 PolarHBondContact O-N 3.41Å
73A98.5Very high98.3Very high1 Ų156.1 Ų56.11%0.00830%0.296CS..Hα-helixtrans-63-47178.400000112.7V39 A60 A62 D69 M70 S75 L76 A77V39-A73 HydrophobicContact CG1-CB 4.38Å; V39-A73 HydrophobicContact CG2-CB 3.89Å; A60-A73 HydrophobicContact CB-CB 3.69Å; A62-A73 HydrophobicContact CB-CB 4.43Å; D69-A73 PolarHBondContact O-N 2.89Å; M70-A73 HydrophobicContact CE-CB 4.2Å; M70-A73 PolarHBondContact O-N 2.8Å; A73-S75 VanDerWaalsContact C-N 3.34Å; A73-S75 PolarHBondContact O-N 2.77Å; A73-L76 WeakPolarHBondContact O-CB 3.27Å; A73-L76 PolarHBondContact O-N 2.9Å; A73-A77 PolarHBondContact O-N 2.86Å
74V98.3Very high98.3Very high9 Ų953.5 Ų53.56%0.05528%0.282CS..Hα-helixtrans-62.9-42.6175.1171.70000110.5L13 M70 L76 A77 L84 L130 E134L13-V74 HydrophobicContact CD1-CG2 4Å; M70-V74 HydrophobicContact CE-CG2 4.49Å; M70-V74 WeakPolarHBondContact O-CB 3.22Å; M70-V74 WeakPolarHBondContact O-CG2 3.45Å; M70-V74 PolarHBondContact O-N 3.11Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.72Å; V74-A77 WeakPolarHBondContact O-CB 3.39Å; V74-A77 PolarHBondContact O-N 3.24Å; V74-L84 HydrophobicContact CG1-CD2 4.27Å; V74-L130 HydrophobicContact CG2-CB 4.26Å; V74-E134 HydrophobicContact CG1-CB 3.65Å; V74-E134 HydrophobicContact CG1-CG 4.12Å
75S98Very high98.3Very high47 Ų4753.6 Ų53.633%0.32928%0.282SS..Hα-helixtrans-61.9-33.2176.6-64.20000112.8L71 L72 A73 A77 R78 K79L71-S75 VanDerWaalsContact O-CB 3.24Å; L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 2.9Å; L71-S75 PolarHBondContact O-OG 3.33Å; L72-S75 PolarHBondContact O-N 2.89Å; A73-S75 VanDerWaalsContact C-N 3.34Å; A73-S75 PolarHBondContact O-N 2.77Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 2.98Å; S75-R78 PolarHBondContact O-N 3.13Å; S75-K79 WeakPolarHBondContact O-CB 3.49Å; S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 3.21Å; S75-K79 PolarHBondContact O-N 2.85Å
76L98.5Very high98.3Very high49 Ų4951.3 Ų51.326%0.25727%0.268SS..Hα-helixtrans-63.2-39.8177.2-178.463.2000111.6V37 A58 A60 L72 A73 V74 R78 K79 K80V37-L76 HydrophobicContact CG1-CD2 4.18Å; A58-L76 HydrophobicContact CB-CD2 4.16Å; A60-L76 HydrophobicContact CB-CD2 3.87Å; L72-L76 PolarHBondContact O-N 3.41Å; A73-L76 WeakPolarHBondContact O-CB 3.27Å; A73-L76 PolarHBondContact O-N 2.9Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.72Å; L76-R78 PolarHBondContact O-N 3.35Å; L76-K79 PolarHBondContact O-N 3.08Å; L76-K80 HydrophobicContact CD1-CB 4.42Å; L76-K80 WeakPolarHBondContact O-CB 3.38Å; L76-K80 PolarHBondContact O-N 2.91Å
77A98.1Very high98.3Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-57-49.3177.500000111.2V11 V37 A73 V74 S75 F81 G82 K83 L84V11-A77 HydrophobicContact CG1-CB 4.18Å; V37-A77 HydrophobicContact CG2-CB 3.86Å; A73-A77 PolarHBondContact O-N 2.86Å; V74-A77 WeakPolarHBondContact O-CB 3.39Å; V74-A77 PolarHBondContact O-N 3.24Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 2.98Å; A77-F81 WeakPolarHBondContact O-CA 3.43Å; A77-F81 WeakPolarHBondContact O-CB 3.48Å; A77-F81 PolarHBondContact O-N 3.34Å; A77-G82 PolarHBondContact O-N 3.2Å; A77-K83 CarbonylContact C-O 3.54Å; A77-L84 HydrophobicContact CB-CB 4.48Å; A77-L84 HydrophobicContact CB-CD1 4.2Å
78R95.8Very high98.3Very high101 Ų10145 Ų4538%0.38124%0.235SC..Hα-helixtrans-66.8-48173.8172.2140.1-70.9-977.7112.6S75 L76 K80 G82 E134S75-R78 PolarHBondContact O-N 3.13Å; L76-R78 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.33Å; R78-G82 PolarHBondContact NH1-O 3Å; R78-G82 PolarHBondContact NH2-O 2.9Å; R78-G82 WeakPolarHBondContact O-CA 3.24Å; R78-G82 PolarHBondContact O-N 3.5Å; R78-E134 WeakPolarHBondContact CB-OE1 3.36Å; R78-E134 WeakPolarHBondContact CD-OE1 3.28Å; R78-E134 IonicContact CZ-OE1 3.25Å; R78-E134 IonicContact NE-OE1 2.77Å; R78-E134 PolarHBondContact NE-OE1 2.67Å
79K98.1Very high98.4Very high170 Ų17042.3 Ų42.374%0.73921%0.212SC*.Hα-helixtrans-59-37.6-176.1-75.8175.7-179.8178.90112.6S75 L76S75-K79 WeakPolarHBondContact O-CB 3.49Å; S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 3.21Å; S75-K79 PolarHBondContact O-N 2.85Å; L76-K79 PolarHBondContact O-N 3.08Å
80K98.3Very high98.4Very high105 Ų10540.9 Ų40.946%0.45721%0.206SC..Hα-helixtrans-92.9-38.5-175.5-166.6174.3179.1177.40113.7C57 A58 L76 R78C57-K80 PolarHBondContact O-NZ 3.16Å; A58-K80 HydrophobicContact CB-CD 3.65Å; L76-K80 HydrophobicContact CD1-CB 4.42Å; L76-K80 WeakPolarHBondContact O-CB 3.38Å; L76-K80 PolarHBondContact O-N 2.91Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.33Å
81F98.5Very high98.3Very high39 Ų3941.8 Ų41.817%0.17121%0.213CC..Hα-helixtrans-119.5-1.9-172-53.4-59.8000113.8V11 V37 N55 A58 A77 K83V11-F81 HydrophobicContact CB-CB 4.3Å; V11-F81 HydrophobicContact CG1-CB 3.77Å; V11-F81 HydrophobicContact CG1-CD2 3.83Å; V11-F81 HydrophobicContact CG1-CG 4.17Å; V11-F81 HydrophobicContact CG2-CB 3.49Å; V11-F81 VanDerWaalsContact CG2-CB 3.49Å; V11-F81 HydrophobicContact CG2-CG 4.44Å; V37-F81 HydrophobicContact CG2-CD2 4.01Å; V37-F81 HydrophobicContact CG2-CE2 3.77Å; N55-F81 WeakPolarHBondContact O-CE1 3.45Å; A58-F81 HydrophobicContact CB-CE2 4.1Å; A58-F81 HydrophobicContact CB-CZ 4.18Å; A77-F81 WeakPolarHBondContact O-CA 3.43Å; A77-F81 WeakPolarHBondContact O-CB 3.48Å; A77-F81 PolarHBondContact O-N 3.34Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 3.47Å
82G98Very high98.2Very high35 Ų3540 Ų4036%0.36121%0.214SC..SBendtrans76.114.5168.300000115.2A77 R78A77-G82 PolarHBondContact O-N 3.2Å; R78-G82 PolarHBondContact NH1-O 3Å; R78-G82 PolarHBondContact NH2-O 2.9Å; R78-G82 WeakPolarHBondContact O-CA 3.24Å; R78-G82 PolarHBondContact O-N 3.5Å
83K98.1Very high98.1Very high63 Ų6337 Ų3727%0.27420%0.198SC..  trans-177.4-18016954.7-179.4-176.7149.70111.9G9 V11 A77 F81 D85 N138G9-K83 VanDerWaalsContact O-CE 3.24Å; G9-K83 WeakPolarHBondContact O-CE 3.5Å; G9-K83 PolarHBondContact O-NZ 2.71Å; V11-K83 HydrophobicContact CB-CG 4.35Å; V11-K83 WeakPolarHBondContact CB-O 3.27Å; V11-K83 VanDerWaalsContact CG1-O 3.3Å; V11-K83 WeakPolarHBondContact CG1-O 3.18Å; V11-K83 HydrophobicContact CG2-CG 3.73Å; A77-K83 CarbonylContact C-O 3.54Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 3.47Å; K83-D85 WeakPolarHBondContact CD-OD2 3.43Å; K83-D85 WeakPolarHBondContact CE-OD2 3.38Å; K83-D85 VanDerWaalsContact NZ-CG 3.29Å; K83-D85 IonicContact NZ-OD1 3.46Å; K83-D85 PolarHBondContact NZ-OD1 2.74Å; K83-D85 IonicContact NZ-OD2 2.76Å; K83-D85 PolarHBondContact NZ-OD2 3.44Å; K83-N138 WeakPolarHBondContact CB-OD1 3.48Å
84L98.7Very high97.7Very high0 Ų039 Ų390%021%0.214CC..  trans-136.4117.1166.317962.2000108.9L13 V74 A77 L86 A131 E134 M135 N138L13-L84 HydrophobicContact CB-CD1 3.6Å; V74-L84 HydrophobicContact CG1-CD2 4.27Å; A77-L84 HydrophobicContact CB-CB 4.48Å; A77-L84 HydrophobicContact CB-CD1 4.2Å; L84-L86 WeakPolarHBondContact CD1-O 3.31Å; L84-A131 HydrophobicContact CD2-CB 3.82Å; L84-E134 HydrophobicContact CB-CB 4.34Å; L84-E134 HydrophobicContact CB-CG 3.82Å; L84-E134 HydrophobicContact CD2-CB 4.29Å; L84-M135 HydrophobicContact CD2-CE 4.3Å; L84-M135 HydrophobicContact CD2-CG 4.5Å; L84-M135 HydrophobicContact CG-CE 4.11Å; L84-M135 HydrophobicContact CG-CG 4.29Å; L84-M135 WeakPolarHBondContact O-CG 3.36Å; L84-N138 PolarHBondContact O-ND2 2.74Å
85D98.7Very high97.5Very high14 Ų1440.5 Ų40.58%0.07522%0.223CC..  trans-105.3-31.2-178.5-55.2-85.2000112.3M10 V11 K83 G147 C148M10-D85 VanDerWaalsContact CA-OD2 3.3Å; M10-D85 WeakPolarHBondContact CA-OD2 3.49Å; M10-D85 HydrophobicContact CB-CB 4.23Å; M10-D85 HydrophobicContact CG-CB 4.29Å; V11-D85 PolarHBondContact N-OD2 3.16Å; V11-D85 PolarHBondContact O-N 3.32Å; K83-D85 WeakPolarHBondContact CD-OD2 3.43Å; K83-D85 WeakPolarHBondContact CE-OD2 3.38Å; K83-D85 VanDerWaalsContact NZ-CG 3.29Å; K83-D85 IonicContact NZ-OD1 3.46Å; K83-D85 PolarHBondContact NZ-OD1 2.74Å; K83-D85 IonicContact NZ-OD2 2.76Å; K83-D85 PolarHBondContact NZ-OD2 3.44Å; D85-G147 CarbonylContact O-C 3.59Å; D85-G147 WeakPolarHBondContact O-CA 3.4Å; D85-C148 PolarHBondContact O-N 3.44Å
86L98.9Very high97.3Very high1 Ų142.5 Ų42.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-135.3131.8-173178.766.4000110.7V11 G12 L13 L29 L84 V88 C148 I150 V236 A240V11-L86 PolarHBondContact O-N 3.27Å; V11-L86 VanDerWaalsContact O-N 3.11Å; G12-L86 CarbonylContact C-O 3.47Å; G12-L86 VanDerWaalsContact CA-O 3.27Å; G12-L86 WeakPolarHBondContact CA-O 3.31Å; L13-L86 PolarHBondContact N-O 2.67Å; L29-L86 HydrophobicContact CD1-CD2 4.23Å; L29-L86 HydrophobicContact CD2-CD2 3.98Å; L84-L86 WeakPolarHBondContact CD1-O 3.31Å; L86-V88 HydrophobicContact CD1-CG2 4.12Å; L86-V88 HydrophobicContact CD2-CG2 3.8Å; L86-V88 HydrophobicContact CG-CG2 3.73Å; L86-C148 WeakPolarHBondContact CA-O 3.33Å; L86-C148 HydrophobicContact CD1-CB 3.99Å; L86-C148 WeakPolarHBondContact CD1-O 3.49Å; L86-I150 HydrophobicContact CD1-CD1 3.88Å; L86-I150 HydrophobicContact CD1-CG1 4.11Å; L86-V236 HydrophobicContact CD2-CG1 4.47Å; L86-A240 HydrophobicContact CD1-CB 4.3Å; L86-A240 HydrophobicContact CD2-CB 4.3Å
87A98.9Very high97.1Very high0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-118.5124.816700000109.4L13 A131 M135 C148 I149 I150L13-A87 CarbonylContact O-C 3.54Å; L13-A87 WeakPolarHBondContact O-CA 3.45Å; A87-A131 HydrophobicContact CB-CB 3.97Å; A87-M135 HydrophobicContact CB-CE 3.67Å; A87-M135 VanDerWaalsContact N-CE 3.32Å; A87-C148 PolarHBondContact N-O 2.75Å; A87-I149 HydrophobicContact CB-CG1 4.41Å; A87-I149 CarbonylContact O-C 3.57Å; A87-I149 WeakPolarHBondContact O-CA 3.29Å; A87-I150 PolarHBondContact O-N 2.88Å
88V98.9Very high97.1Very high0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-117.4113.2179.5-166.70000109.2L13 V14 T15 T25 L86 C90 I150 V236L13-V88 PolarHBondContact O-N 2.79Å; V14-V88 WeakPolarHBondContact CA-O 3.48Å; V14-V88 HydrophobicContact CG1-CB 4.22Å; V14-V88 HydrophobicContact CG2-CB 4.17Å; V14-V88 HydrophobicContact CG2-CG2 4.25Å; T15-V88 PolarHBondContact N-O 2.81Å; T25-V88 HydrophobicContact CG2-CB 4.46Å; T25-V88 HydrophobicContact CG2-CG1 4.32Å; T25-V88 HydrophobicContact CG2-CG2 4.15Å; L86-V88 HydrophobicContact CD1-CG2 4.12Å; L86-V88 HydrophobicContact CD2-CG2 3.8Å; L86-V88 HydrophobicContact CG-CG2 3.73Å; V88-C90 PolarHBondContact O-N 3.09Å; V88-I150 CarbonylContact C-O 3.56Å; V88-I150 VanDerWaalsContact CA-O 3.29Å; V88-I150 WeakPolarHBondContact CA-O 3.49Å; V88-I150 HydrophobicContact CG1-CB 4.34Å; V88-I150 HydrophobicContact CG1-CG2 4.43Å; V88-V236 HydrophobicContact CG1-CG1 4.18Å; V88-V236 HydrophobicContact CG1-CG2 4.21Å; V88-V236 HydrophobicContact CG2-CG1 3.78Å
89N98.9Very high97.2Very high2 Ų248 Ų481%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-90.596.1-179-67.5-57.6000110.4T15 T124 V127 I150 N151 T152T15-N89 WeakPolarHBondContact OG1-CA 3.11Å; N89-T124 HydrophobicContact CB-CG2 3.89Å; N89-V127 VanDerWaalsContact OD1-CB 3.24Å; N89-V127 WeakPolarHBondContact OD1-CB 3.3Å; N89-V127 WeakPolarHBondContact OD1-CG1 3.47Å; N89-I150 PolarHBondContact N-O 3.3Å; N89-N151 PolarHBondContact ND2-OD1 3.27Å; N89-T152 WeakPolarHBondContact O-CB 3.24Å; N89-T152 PolarHBondContact O-N 3.31Å; N89-T152 PolarHBondContact O-OG1 2.98Å
90C98.6Very high97.2Very high22 Ų2243.6 Ų43.615%0.14926%0.258CS..  trans-110.8-13.5175-56.40000113.6T15 V88 G92 T152T15-C90 CarbonylContact O-C 3.47Å; T15-C90 WeakPolarHBondContact O-CA 3.36Å; T15-C90 WeakPolarHBondContact O-CB 3.41Å; T15-C90 PolarHBondContact O-N 2.83Å; T15-C90 PolarHBondContact OG1-N 3.39Å; T15-C90 VanDerWaalsContact OG1-N 3.14Å; V88-C90 PolarHBondContact O-N 3.09Å; C90-G92 PolarHBondContact O-N 3.37Å; C90-T152 PolarHBondContact SG-OG1 3.11Å
91A97.8Very high97.2Very high19 Ų1940.6 Ų40.616%0.15725%0.246CC..  trans-58.2135.7174.800000110.9T15 V64T15-A91 PolarHBondContact O-N 3.17Å; T15-A91 WeakPolarHBondContact OG1-CB 3.47Å; T15-A91 PolarHBondContact OG1-N 2.94Å; T15-A91 VanDerWaalsContact OG1-N 3.1Å; V64-A91 HydrophobicContact CG1-CB 3.88Å; V64-A91 HydrophobicContact CG2-CB 4.34Å
92G96.1Very high97.1Very high42 Ų4246.8 Ų46.843%0.43327%0.273SS..  trans173.6161175.200000113.5C90 N120C90-G92 PolarHBondContact O-N 3.37Å; G92-N120 WeakPolarHBondContact CA-OD1 3.46Å
93I95.8Very high97Very high58 Ų5852.6 Ų52.630%0.29730%0.296SS..  trans-121.3159178.659.1172.2000110.8H115 V116 V119 N120 Y167I93-H115 WeakPolarHBondContact CD1-CD2 3.25Å; I93-H115 WeakPolarHBondContact CD1-NE2 3.3Å; I93-V116 HydrophobicContact CD1-CG2 4.11Å; I93-V116 HydrophobicContact CG1-CG2 4.34Å; I93-V119 HydrophobicContact CD1-CB 4.09Å; I93-V119 HydrophobicContact CD1-CG2 3.96Å; I93-V119 HydrophobicContact CG1-CB 4.03Å; I93-V119 HydrophobicContact CG1-CG1 4.1Å; I93-V119 HydrophobicContact CG1-CG2 4.43Å; I93-V119 HydrophobicContact CG2-CG1 4.32Å; I93-N120 PolarHBondContact N-OD1 3.12Å; I93-N120 PolarHBondContact O-ND2 2.81Å; I93-N120 PolarHBondContact O-OD1 3.19Å; I93-Y167 WeakPolarHBondContact O-CD2 3.33Å; I93-Y167 WeakPolarHBondContact O-CE2 3.47Å
94A91.8Very high97Very high42 Ų4257 Ų5735%0.34732%0.315SS..  trans-135.8142.5176.600000110Y167 L204A94-Y167 HydrophobicContact CB-CD2 3.68Å; A94-Y167 HydrophobicContact CB-CE2 3.68Å; A94-Y167 HydrophobicContact CB-CG 4.22Å; A94-L204 HydrophobicContact CB-CD2 4.39Å
95V92.1Very high96.9Very high41 Ų4162.6 Ų62.625%0.24835%0.346CS..  trans-130.7154173.8-58.60000109.3I97 V116 A166V95-I97 HydrophobicContact CB-CD1 4.16Å; V95-I97 HydrophobicContact CB-CG1 4.31Å; V95-I97 HydrophobicContact CG2-CD1 4.25Å; V95-I97 HydrophobicContact CG2-CG1 4.45Å; V95-V116 HydrophobicContact CB-CG2 4.46Å; V95-V116 HydrophobicContact CG1-CG2 3.87Å; V95-V116 HydrophobicContact CG2-CG2 3.79Å; V95-A166 HydrophobicContact CG2-CB 4.09Å
96A93.9Very high96.9Very high90 Ų9065.1 Ų65.174%0.74436%0.362SS*.  trans-123.987.2175.500000109.5G163A96-G163 CarbonylContact C-O 3.53Å; A96-G163 WeakPolarHBondContact CA-O 3.49Å
97I95.9Very high96.9Very high51 Ų5169.4 Ų69.426%0.26239%0.389SS..  trans-133.1120.3-174.7-55171.7000108.5V95 H108 D112 G163V95-I97 HydrophobicContact CB-CD1 4.16Å; V95-I97 HydrophobicContact CB-CG1 4.31Å; V95-I97 HydrophobicContact CG2-CD1 4.25Å; V95-I97 HydrophobicContact CG2-CG1 4.45Å; I97-H108 HydrophobicContact CG2-CB 3.95Å; I97-H108 VanDerWaalsContact CG2-CD2 3.46Å; I97-H108 WeakPolarHBondContact CG2-CD2 3.28Å; I97-H108 VanDerWaalsContact CG2-CG 3.49Å; I97-H108 PolarHBondContact O-CD2 2.9Å; I97-D112 HydrophobicContact CD1-CB 4.15Å; I97-G163 CarbonylContact C-O 3.56Å; I97-G163 PolarHBondContact N-O 3.05Å; I97-G163 CarbonylContact O-C 3.47Å; I97-G163 VanDerWaalsContact O-CA 3.31Å; I97-G163 WeakPolarHBondContact O-CA 3.35Å; I97-G163 VanDerWaalsContact O-O 3.06Å
98K97.3Very high96.8Very high111 Ų11170.7 Ų70.748%0.48340%0.395SS..  trans-62.3139.4175.3-66.1-174.1178.9-174.80109.6Y100 V162K98-Y100 WeakPolarHBondContact CB-O 3.44Å; K98-Y100 PolarHBondContact O-N 3.4Å; K98-Y100 VanDerWaalsContact O-N 3.09Å; K98-V162 HydrophobicContact CD-CG1 4.36Å; K98-V162 HydrophobicContact CG-CG1 4.1Å
99T98.4Very high96.8Very high102 Ų10273 Ų7363%0.62641%0.411SS*.SBendtrans-47.3-42174.1-52.80000111.9H108T99-H108 PolarHBondContact O-N 2.94Å
100Y98.5Very high96.8Very high79 Ų7978.3 Ų78.331%0.3144%0.439SS..EExtended strand (participates in β ladder)trans-140.8135.9168.5-167.8-93.6000109.8K98 F102 N105 P107K98-Y100 WeakPolarHBondContact CB-O 3.44Å; K98-Y100 PolarHBondContact O-N 3.4Å; K98-Y100 VanDerWaalsContact O-N 3.09Å; Y100-F102 AromaticContact CD1-CD1 3.79Å; Y100-F102 HydrophobicContact CD1-CD1 3.79Å; Y100-F102 AromaticContact CD1-CD2 3.77Å; Y100-F102 HydrophobicContact CD1-CD2 3.77Å; Y100-F102 AromaticContact CD1-CE1 3.79Å; Y100-F102 HydrophobicContact CD1-CE1 3.79Å; Y100-F102 AromaticContact CD1-CE2 3.78Å; Y100-F102 HydrophobicContact CD1-CE2 3.78Å; Y100-F102 AromaticContact CD1-CG 3.77Å; Y100-F102 HydrophobicContact CD1-CG 3.77Å; Y100-F102 AromaticContact CD1-CZ 3.79Å; Y100-F102 HydrophobicContact CD1-CZ 3.79Å; Y100-F102 HydrophobicContact CE1-CB 4.49Å; Y100-F102 AromaticContact CE1-CD1 3.6Å; Y100-F102 HydrophobicContact CE1-CD1 3.6Å; Y100-F102 HydrophobicContact CE1-CD2 4.39Å; Y100-F102 AromaticContact CE1-CE1 3.78Å; Y100-F102 HydrophobicContact CE1-CE1 3.78Å; Y100-F102 AromaticContact CE1-CG 3.92Å; Y100-F102 HydrophobicContact CE1-CG 3.92Å; Y100-F102 HydrophobicContact CE1-CZ 4.26Å; Y100-N105 PolarHBondContact OH-O 3.05Å; Y100-N105 PolarHBondContact OH-OD1 2.84Å; Y100-P107 HydrophobicContact CD2-CB 3.98Å; Y100-P107 HydrophobicContact CE2-CB 4.35Å
101N97.1Very high96.8Very high41 Ų4184.1 Ų84.122%0.21946%0.464CS..EExtended strand (participates in β ladder)trans-105.699.9174.5-172.8-24.8000109.9N103 K104 N105 T106N101-N103 VanDerWaalsContact C-N 3.3Å; N101-N103 PolarHBondContact O-N 3.04Å; N101-N103 WeakPolarHBondContact OD1-CB 3.37Å; N101-N103 PolarHBondContact OD1-N 3.39Å; N101-N103 VanDerWaalsContact OD1-N 3.09Å; N101-K104 HydrophobicContact CB-CB 4.3Å; N101-K104 CarbonylContact O-C 3.56Å; N101-K104 PolarHBondContact O-N 3.48Å; N101-K104 PolarHBondContact OD1-N 3.38Å; N101-N105 WeakPolarHBondContact O-CA 3.48Å; N101-N105 PolarHBondContact O-N 2.98Å; N101-T106 PolarHBondContact N-O 3.3Å; N101-T106 PolarHBondContact O-N 2.99Å
102F97Very high96.8Very high169 Ų16986.5 Ų86.574%0.74147%0.474SS*.THydrogen-bonded Turntrans-63.2-31.2179.5-72.8-82.5000113.9Y100 K104 N105Y100-F102 AromaticContact CD1-CD1 3.79Å; Y100-F102 HydrophobicContact CD1-CD1 3.79Å; Y100-F102 AromaticContact CD1-CD2 3.77Å; Y100-F102 HydrophobicContact CD1-CD2 3.77Å; Y100-F102 AromaticContact CD1-CE1 3.79Å; Y100-F102 HydrophobicContact CD1-CE1 3.79Å; Y100-F102 AromaticContact CD1-CE2 3.78Å; Y100-F102 HydrophobicContact CD1-CE2 3.78Å; Y100-F102 AromaticContact CD1-CG 3.77Å; Y100-F102 HydrophobicContact CD1-CG 3.77Å; Y100-F102 AromaticContact CD1-CZ 3.79Å; Y100-F102 HydrophobicContact CD1-CZ 3.79Å; Y100-F102 HydrophobicContact CE1-CB 4.49Å; Y100-F102 AromaticContact CE1-CD1 3.6Å; Y100-F102 HydrophobicContact CE1-CD1 3.6Å; Y100-F102 HydrophobicContact CE1-CD2 4.39Å; Y100-F102 AromaticContact CE1-CE1 3.78Å; Y100-F102 HydrophobicContact CE1-CE1 3.78Å; Y100-F102 AromaticContact CE1-CG 3.92Å; Y100-F102 HydrophobicContact CE1-CG 3.92Å; Y100-F102 HydrophobicContact CE1-CZ 4.26Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.28Å; F102-N105 PolarHBondContact O-N 3.25Å
103N96.7Very high96.9Very high157 Ų15787.8 Ų87.884%0.8447%0.468SS*.THydrogen-bonded Turntrans-69.9-31.4178.5-64.7-12000112.1N101N101-N103 VanDerWaalsContact C-N 3.3Å; N101-N103 PolarHBondContact O-N 3.04Å; N101-N103 WeakPolarHBondContact OD1-CB 3.37Å; N101-N103 PolarHBondContact OD1-N 3.39Å; N101-N103 VanDerWaalsContact OD1-N 3.09Å
104K96.6Very high97Very high155 Ų15590.3 Ų90.367%0.67448%0.479SS*.THydrogen-bonded Turntrans-97-8.5176.5-64.6-172.5178.6-174.70112.8N101 F102 T106N101-K104 HydrophobicContact CB-CB 4.3Å; N101-K104 CarbonylContact O-C 3.56Å; N101-K104 PolarHBondContact O-N 3.48Å; N101-K104 PolarHBondContact OD1-N 3.38Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.28Å; K104-T106 VanDerWaalsContact C-N 3.26Å; K104-T106 HydrophobicContact CB-CG2 4.42Å; K104-T106 WeakPolarHBondContact CB-OG1 3.18Å; K104-T106 WeakPolarHBondContact O-CG2 3.5Å; K104-T106 PolarHBondContact O-N 2.99Å
105N97.3Very high97.3Very high119 Ų11993.3 Ų93.364%0.63649%0.485SS*.THydrogen-bonded Turntrans52.640.9-172.5-162.257.1000113.1Y100 N101 F102Y100-N105 PolarHBondContact OH-O 3.05Å; Y100-N105 PolarHBondContact OH-OD1 2.84Å; N101-N105 WeakPolarHBondContact O-CA 3.48Å; N101-N105 PolarHBondContact O-N 2.98Å; F102-N105 PolarHBondContact O-N 3.25Å
106T98.3Very high97.6Very high67 Ų6791.3 Ų91.341%0.41147%0.473SS..EExtended strand (participates in β ladder)trans-131.5134-174.252.80000112N101 K104N101-T106 PolarHBondContact N-O 3.3Å; N101-T106 PolarHBondContact O-N 2.99Å; K104-T106 VanDerWaalsContact C-N 3.26Å; K104-T106 HydrophobicContact CB-CG2 4.42Å; K104-T106 WeakPolarHBondContact CB-OG1 3.18Å; K104-T106 WeakPolarHBondContact O-CG2 3.5Å; K104-T106 PolarHBondContact O-N 2.99Å
107P98.5Very high97.9Very high91 Ų9189.2 Ų89.259%0.59145%0.449SS*.EExtended strand (participates in β ladder)trans-73.7161.8170.333-34.9000111.7Y100Y100-P107 HydrophobicContact CD2-CB 3.98Å; Y100-P107 HydrophobicContact CE2-CB 4.35Å
108H98.3Very high98Very high26 Ų2690.4 Ų90.412%0.1246%0.456CS..PPolyproline II helixtrans-60.8133164.1-170-38000109.6I97 T99 L110I97-H108 HydrophobicContact CG2-CB 3.95Å; I97-H108 VanDerWaalsContact CG2-CD2 3.46Å; I97-H108 WeakPolarHBondContact CG2-CD2 3.28Å; I97-H108 VanDerWaalsContact CG2-CG 3.49Å; I97-H108 PolarHBondContact O-CD2 2.9Å; T99-H108 PolarHBondContact O-N 2.94Å; H108-L110 PolarHBondContact O-N 3.33Å
109S98.2Very high98.1Very high49 Ų4986 Ų8634%0.34344%0.439SS..PPolyproline II helixtrans-62.1135.9175.2-179.30000110.9E111 D112 F113S109-E111 VanDerWaalsContact C-N 3.25Å; S109-E111 PolarHBondContact O-N 2.94Å; S109-E111 WeakPolarHBondContact OG-CB 3.44Å; S109-E111 PolarHBondContact OG-N 3.38Å; S109-D112 WeakPolarHBondContact CB-OD2 3.42Å; S109-F113 PolarHBondContact O-N 3.01Å
110L98.6Very high98.1Very high114 Ų11481.2 Ų81.260%0.59741%0.409SS*.Hα-helixtrans-65.4-33.5172.8-179.460.4000111.3H108 F113 Q114H108-L110 PolarHBondContact O-N 3.33Å; L110-F113 PolarHBondContact O-N 2.89Å; L110-Q114 HydrophobicContact CD1-CG 4.24Å; L110-Q114 HydrophobicContact CG-CG 4.27Å; L110-Q114 WeakPolarHBondContact O-CB 3.48Å; L110-Q114 VanDerWaalsContact O-CG 3.3Å; L110-Q114 WeakPolarHBondContact O-CG 3.5Å; L110-Q114 PolarHBondContact O-N 3.44Å
111E98.4Very high98Very high143 Ų14379.3 Ų79.367%0.66840%0.404SS*.Hα-helixtrans-62.2-47178.2-176179.6-176.400111.3S109 F113 Q114 H115S109-E111 VanDerWaalsContact C-N 3.25Å; S109-E111 PolarHBondContact O-N 2.94Å; S109-E111 WeakPolarHBondContact OG-CB 3.44Å; S109-E111 PolarHBondContact OG-N 3.38Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 3Å; E111-Q114 PolarHBondContact O-N 2.95Å; E111-H115 WeakPolarHBondContact O-CB 3.34Å; E111-H115 PolarHBondContact O-N 3.09Å
112D97.4Very high98.1Very high69 Ų6979.3 Ų79.337%0.36941%0.409SS..Hα-helixtrans-60.2-41.8176.6-71.9-30.5000111.3I97 S109 H115 V116I97-D112 HydrophobicContact CD1-CB 4.15Å; S109-D112 WeakPolarHBondContact CB-OD2 3.42Å; D112-H115 PolarHBondContact O-N 3.39Å; D112-V116 WeakPolarHBondContact O-CG2 3.36Å; D112-V116 PolarHBondContact O-N 3.01Å
113F98.6Very high98.2Very high70 Ų7071.3 Ų71.331%0.30737%0.374SS..Hα-helixtrans-62.9-49.5176.5-176.1-83.2000110.9S109 L110 E111 H115 V116 I117 A166 A169S109-F113 PolarHBondContact O-N 3.01Å; L110-F113 PolarHBondContact O-N 2.89Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 3Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.37Å; F113-V116 PolarHBondContact O-N 3.11Å; F113-I117 HydrophobicContact CD1-CG1 3.89Å; F113-I117 HydrophobicContact CE1-CD1 4.06Å; F113-I117 HydrophobicContact CE1-CG1 3.55Å; F113-I117 HydrophobicContact CZ-CD1 4.16Å; F113-I117 HydrophobicContact CZ-CG1 4.12Å; F113-I117 WeakPolarHBondContact O-CG1 3.24Å; F113-I117 PolarHBondContact O-N 3.4Å; F113-A166 HydrophobicContact CB-CB 4.47Å; F113-A166 HydrophobicContact CD2-CB 3.58Å; F113-A166 HydrophobicContact CE2-CB 4.12Å; F113-A166 HydrophobicContact CG-CB 4.25Å; F113-A169 HydrophobicContact CE2-CB 4.17Å; F113-A169 HydrophobicContact CZ-CB 3.96Å
114Q98.7Very high98.3Very high110 Ų11064 Ų6451%0.51434%0.336SS..Hα-helixtrans-61.2-40179.1-75.3172.8-10.900112L110 E111 V116 I117 N118L110-Q114 HydrophobicContact CD1-CG 4.24Å; L110-Q114 HydrophobicContact CG-CG 4.27Å; L110-Q114 WeakPolarHBondContact O-CB 3.48Å; L110-Q114 VanDerWaalsContact O-CG 3.3Å; L110-Q114 WeakPolarHBondContact O-CG 3.5Å; L110-Q114 PolarHBondContact O-N 3.44Å; E111-Q114 PolarHBondContact O-N 2.95Å; Q114-V116 PolarHBondContact O-N 3.17Å; Q114-I117 PolarHBondContact O-N 3.11Å; Q114-N118 VanDerWaalsContact O-CB 3.29Å; Q114-N118 WeakPolarHBondContact O-CB 3.35Å; Q114-N118 PolarHBondContact O-N 3.22Å
115H98.4Very high98.4Very high105 Ų10561.5 Ų61.549%0.48633%0.325SS..Hα-helixtrans-60.8-46.1177.7-176.460.6000111.7I93 E111 D112 F113 I117 N118 V119I93-H115 WeakPolarHBondContact CD1-CD2 3.25Å; I93-H115 WeakPolarHBondContact CD1-NE2 3.3Å; E111-H115 WeakPolarHBondContact O-CB 3.34Å; E111-H115 PolarHBondContact O-N 3.09Å; D112-H115 PolarHBondContact O-N 3.39Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.37Å; H115-I117 PolarHBondContact O-N 3.14Å; H115-N118 PolarHBondContact O-N 2.78Å; H115-V119 WeakPolarHBondContact O-CG2 3.39Å; H115-V119 PolarHBondContact O-N 3.4Å
116V98.5Very high98.5Very high0 Ų056.4 Ų56.40%030%0.298CS..Hα-helixtrans-61.5-43.8175.9174.50000111.6I93 V95 D112 F113 Q114 N120 A166I93-V116 HydrophobicContact CD1-CG2 4.11Å; I93-V116 HydrophobicContact CG1-CG2 4.34Å; V95-V116 HydrophobicContact CB-CG2 4.46Å; V95-V116 HydrophobicContact CG1-CG2 3.87Å; V95-V116 HydrophobicContact CG2-CG2 3.79Å; D112-V116 WeakPolarHBondContact O-CG2 3.36Å; D112-V116 PolarHBondContact O-N 3.01Å; F113-V116 PolarHBondContact O-N 3.11Å; Q114-V116 PolarHBondContact O-N 3.17Å; V116-N120 VanDerWaalsContact O-CB 3.26Å; V116-N120 WeakPolarHBondContact O-CB 3.41Å; V116-N120 PolarHBondContact O-N 2.95Å; V116-A166 HydrophobicContact CB-CB 4.11Å; V116-A166 HydrophobicContact CG1-CB 4.13Å; V116-A166 HydrophobicContact CG2-CB 4.26Å
117I98.6Very high98.5Very high45 Ų4553.2 Ų53.223%0.23128%0.278CS..Hα-helixtrans-63.5-44176.9-64.8-61.3000111.3F113 Q114 H115 I121 A122 A169F113-I117 HydrophobicContact CD1-CG1 3.89Å; F113-I117 HydrophobicContact CE1-CD1 4.06Å; F113-I117 HydrophobicContact CE1-CG1 3.55Å; F113-I117 HydrophobicContact CZ-CD1 4.16Å; F113-I117 HydrophobicContact CZ-CG1 4.12Å; F113-I117 WeakPolarHBondContact O-CG1 3.24Å; F113-I117 PolarHBondContact O-N 3.4Å; Q114-I117 PolarHBondContact O-N 3.11Å; H115-I117 PolarHBondContact O-N 3.14Å; I117-I121 HydrophobicContact CD1-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CB 4.46Å; I117-I121 HydrophobicContact CG2-CD1 4.27Å; I117-I121 WeakPolarHBondContact O-CA 3.35Å; I117-I121 WeakPolarHBondContact O-CB 3.4Å; I117-I121 PolarHBondContact O-N 2.95Å; I117-A122 PolarHBondContact O-N 2.98Å; I117-A169 HydrophobicContact CD1-CB 4.17Å
118N98.6Very high98.5Very high76 Ų7649 Ų4941%0.40625%0.251SS..Iπ-helixtrans-62.8-48.2-178.2-168.750.6000111.2T65 Q114 H115 A122 G123T65-N118 WeakPolarHBondContact CG2-ND2 3.47Å; Q114-N118 VanDerWaalsContact O-CB 3.29Å; Q114-N118 WeakPolarHBondContact O-CB 3.35Å; Q114-N118 PolarHBondContact O-N 3.22Å; H115-N118 PolarHBondContact O-N 2.78Å; N118-A122 CarbonylContact O-C 3.57Å; N118-A122 WeakPolarHBondContact O-CB 3.45Å; N118-A122 PolarHBondContact O-N 2.92Å; N118-G123 PolarHBondContact O-N 2.83Å
119V98.4Very high98.6Very high20 Ų2052.2 Ų52.212%0.12126%0.262CS..Iπ-helixtrans-67.6-51.3179176.40000111.3T65 I93 H115 G123T65-V119 HydrophobicContact CG2-CG2 4.15Å; I93-V119 HydrophobicContact CD1-CB 4.09Å; I93-V119 HydrophobicContact CD1-CG2 3.96Å; I93-V119 HydrophobicContact CG1-CB 4.03Å; I93-V119 HydrophobicContact CG1-CG1 4.1Å; I93-V119 HydrophobicContact CG1-CG2 4.43Å; I93-V119 HydrophobicContact CG2-CG1 4.32Å; H115-V119 WeakPolarHBondContact O-CG2 3.39Å; H115-V119 PolarHBondContact O-N 3.4Å; V119-G123 WeakPolarHBondContact O-CA 3.21Å
120N98.7Very high98.6Very high0 Ų051 Ų510%025%0.251CS..Iπ-helixtrans-80.4-42.8-168.9-69.7-3000113.4G92 I93 V116 T124 S170G92-N120 WeakPolarHBondContact CA-OD1 3.46Å; I93-N120 PolarHBondContact N-OD1 3.12Å; I93-N120 PolarHBondContact O-ND2 2.81Å; I93-N120 PolarHBondContact O-OD1 3.19Å; V116-N120 VanDerWaalsContact O-CB 3.26Å; V116-N120 WeakPolarHBondContact O-CB 3.41Å; V116-N120 PolarHBondContact O-N 2.95Å; N120-T124 VanDerWaalsContact O-CB 3.27Å; N120-T124 WeakPolarHBondContact O-CB 3.33Å; N120-T124 PolarHBondContact O-OG1 3Å; N120-S170 PolarHBondContact ND2-OG 3.1Å
121I97.8Very high98.6Very high39 Ų3945.5 Ų45.520%0.222%0.223CC..Iπ-helixtrans-90.4-62.3-179.6-62.1-179.1000110I117 G123 T124 F125 S170I117-I121 HydrophobicContact CD1-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CB 4.46Å; I117-I121 HydrophobicContact CG2-CD1 4.27Å; I117-I121 WeakPolarHBondContact O-CA 3.35Å; I117-I121 WeakPolarHBondContact O-CB 3.4Å; I117-I121 PolarHBondContact O-N 2.95Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 2.81Å; I121-T124 PolarHBondContact O-N 2.92Å; I121-F125 PolarHBondContact O-N 3.07Å; I121-S170 WeakPolarHBondContact CG1-O 3.35Å
122A98.7Very high98.6Very high41 Ų4139.9 Ų39.934%0.33920%0.198SC..Iπ-helixtrans-64.6-39.2-17200000110.9I117 N118 F125 N126I117-A122 PolarHBondContact O-N 2.98Å; N118-A122 CarbonylContact O-C 3.57Å; N118-A122 WeakPolarHBondContact O-CB 3.45Å; N118-A122 PolarHBondContact O-N 2.92Å; A122-F125 PolarHBondContact O-N 3.32Å; A122-N126 VanDerWaalsContact O-CB 3.25Å; A122-N126 WeakPolarHBondContact O-CB 3.49Å; A122-N126 PolarHBondContact O-N 3.11Å
123G98.9Very high98.6Very high1 Ų138.7 Ų38.71%0.0120%0.202CC..Hα-helixtrans-60.6-46.3172.600000113.3V64 N118 V119 I121 F125 N126 V127V64-G123 WeakPolarHBondContact O-CA 3.19Å; N118-G123 PolarHBondContact O-N 2.83Å; V119-G123 WeakPolarHBondContact O-CA 3.21Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 2.81Å; G123-F125 PolarHBondContact O-N 3.2Å; G123-N126 WeakPolarHBondContact O-CB 3.35Å; G123-N126 PolarHBondContact O-N 2.89Å; G123-V127 VanDerWaalsContact O-CG2 3.24Å; G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 3.1Å
124T98.9Very high98.6Very high5 Ų535.9 Ų35.93%0.03119%0.19CC..Hα-helixtrans-59.6-47.5174.6-64.40000111.1N89 N120 I121 N126 V127 I128 N151 M177N89-T124 HydrophobicContact CB-CG2 3.89Å; N120-T124 VanDerWaalsContact O-CB 3.27Å; N120-T124 WeakPolarHBondContact O-CB 3.33Å; N120-T124 PolarHBondContact O-OG1 3Å; I121-T124 PolarHBondContact O-N 2.92Å; T124-N126 VanDerWaalsContact C-N 3.32Å; T124-N126 PolarHBondContact O-N 3.42Å; T124-V127 PolarHBondContact O-N 2.96Å; T124-I128 HydrophobicContact CG2-CD1 3.95Å; T124-I128 HydrophobicContact CG2-CG1 4.48Å; T124-I128 VanDerWaalsContact O-CG1 3.27Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.48Å; T124-N151 HydrophobicContact CG2-CB 4.45Å; T124-M177 HydrophobicContact CG2-CE 3.38Å
125F98.9Very high98.6Very high101 Ų10130.6 Ų30.644%0.44317%0.165SC..Hα-helixtrans-63.8-37.4178.7-176.8-105.5000112.5I121 A122 G123 V127 I128 R129 I181I121-F125 PolarHBondContact O-N 3.07Å; A122-F125 PolarHBondContact O-N 3.32Å; G123-F125 PolarHBondContact O-N 3.2Å; F125-V127 VanDerWaalsContact C-N 3.35Å; F125-V127 PolarHBondContact O-N 2.92Å; F125-I128 PolarHBondContact O-N 2.89Å; F125-R129 WeakPolarHBondContact O-CG 3.2Å; F125-R129 PolarHBondContact O-N 3.34Å; F125-I181 HydrophobicContact CD2-CD1 4.13Å; F125-I181 HydrophobicContact CE2-CD1 4.31Å
126N98.9Very high98.5Very high12 Ų1227 Ų276%0.06416%0.156CC..Hα-helixtrans-60.2-44.2175.4-173.840000111.6V64 S66 A122 G123 T124 R129 L130V64-N126 WeakPolarHBondContact O-CB 3.46Å; V64-N126 PolarHBondContact O-ND2 3.08Å; S66-N126 PolarHBondContact O-ND2 2.86Å; A122-N126 VanDerWaalsContact O-CB 3.25Å; A122-N126 WeakPolarHBondContact O-CB 3.49Å; A122-N126 PolarHBondContact O-N 3.11Å; G123-N126 WeakPolarHBondContact O-CB 3.35Å; G123-N126 PolarHBondContact O-N 2.89Å; T124-N126 VanDerWaalsContact C-N 3.32Å; T124-N126 PolarHBondContact O-N 3.42Å; N126-R129 WeakPolarHBondContact O-CG 3.38Å; N126-R129 VanDerWaalsContact OD1-CZ 3.25Å; N126-R129 PolarHBondContact OD1-NE 3.38Å; N126-R129 PolarHBondContact OD1-NH2 3.23Å; N126-L130 VanDerWaalsContact O-CG 3.28Å; N126-L130 WeakPolarHBondContact O-CG 3.44Å; N126-L130 PolarHBondContact O-N 2.76Å
127V98.9Very high98.5Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-63.7-47.2174.8-179.80000110.5L13 T15 V64 M70 N89 G123 T124 F125 L130 A131L13-V127 HydrophobicContact CD2-CG1 3.94Å; T15-V127 HydrophobicContact CG2-CB 4.46Å; T15-V127 HydrophobicContact CG2-CG1 3.97Å; T15-V127 HydrophobicContact CG2-CG2 3.74Å; V64-V127 HydrophobicContact CB-CG2 4.19Å; V64-V127 HydrophobicContact CG1-CG2 4Å; M70-V127 HydrophobicContact CE-CB 4.14Å; M70-V127 HydrophobicContact CE-CG1 3.92Å; M70-V127 HydrophobicContact CE-CG2 3.64Å; M70-V127 HydrophobicContact CG-CG2 4.33Å; M70-V127 HydrophobicContact SD-CG2 3.9Å; N89-V127 VanDerWaalsContact OD1-CB 3.24Å; N89-V127 WeakPolarHBondContact OD1-CB 3.3Å; N89-V127 WeakPolarHBondContact OD1-CG1 3.47Å; G123-V127 VanDerWaalsContact O-CG2 3.24Å; G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 3.1Å; T124-V127 PolarHBondContact O-N 2.96Å; F125-V127 VanDerWaalsContact C-N 3.35Å; F125-V127 PolarHBondContact O-N 2.92Å; V127-L130 PolarHBondContact O-N 3.42Å; V127-A131 WeakPolarHBondContact O-CB 3.43Å; V127-A131 PolarHBondContact O-N 3.19Å
128I98.9Very high98.5Very high3 Ų331.7 Ų31.72%0.01518%0.175CC..Hα-helixtrans-54.6-59.2-179.8-70.4172.7000110.6T124 F125 L130 A131 V132 I149 M177 I181T124-I128 HydrophobicContact CG2-CD1 3.95Å; T124-I128 HydrophobicContact CG2-CG1 4.48Å; T124-I128 VanDerWaalsContact O-CG1 3.27Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.48Å; F125-I128 PolarHBondContact O-N 2.89Å; I128-L130 PolarHBondContact O-N 3.48Å; I128-L130 VanDerWaalsContact O-N 3.14Å; I128-A131 PolarHBondContact O-N 3.48Å; I128-V132 HydrophobicContact CG2-CG1 4.37Å; I128-V132 WeakPolarHBondContact O-CG1 3.34Å; I128-V132 WeakPolarHBondContact O-CG2 3.5Å; I128-V132 PolarHBondContact O-N 2.83Å; I128-I149 HydrophobicContact CB-CD1 4.21Å; I128-I149 HydrophobicContact CD1-CG2 4.29Å; I128-I149 HydrophobicContact CG1-CD1 4.16Å; I128-I149 HydrophobicContact CG1-CG2 3.88Å; I128-I149 HydrophobicContact CG2-CD1 3.76Å; I128-M177 HydrophobicContact CD1-CE 3.98Å; I128-I181 HydrophobicContact CD1-CD1 4.08Å; I128-I181 HydrophobicContact CG2-CD1 4.49Å; I128-I181 HydrophobicContact CG2-CG2 3.99Å
129R98.7Very high98.4Very high93 Ų9336 Ų3635%0.35119%0.193SC..Hα-helixtrans-62-27.8-172.272.9-177.1-179.687.8-0.9113.2E67 F125 N126 V132E67-R129 VanDerWaalsContact CD-NH2 3.3Å; E67-R129 IonicContact OE1-CZ 3.44Å; E67-R129 IonicContact OE1-NH1 2.75Å; E67-R129 PolarHBondContact OE1-NH1 3.18Å; E67-R129 IonicContact OE1-NH2 2.67Å; E67-R129 PolarHBondContact OE1-NH2 3.36Å; F125-R129 WeakPolarHBondContact O-CG 3.2Å; F125-R129 PolarHBondContact O-N 3.34Å; N126-R129 WeakPolarHBondContact O-CG 3.38Å; N126-R129 VanDerWaalsContact OD1-CZ 3.25Å; N126-R129 PolarHBondContact OD1-NE 3.38Å; N126-R129 PolarHBondContact OD1-NH2 3.23Å; R129-V132 VanDerWaalsContact O-CG2 3.25Å; R129-V132 WeakPolarHBondContact O-CG2 3.21Å
130L98.8Very high98.3Very high23 Ų2337.4 Ų37.412%0.1220%0.203CC..Hα-helixtrans-85.6-40.8178.4-63.6177.3000111.5E67 M70 L71 V74 N126 V127 I128 V132 G133E67-L130 HydrophobicContact CG-CD1 4.41Å; M70-L130 HydrophobicContact CB-CD1 3.52Å; L71-L130 HydrophobicContact CD2-CD1 4.44Å; L71-L130 HydrophobicContact CD2-CD2 3.72Å; L71-L130 HydrophobicContact CG-CD1 4.12Å; L71-L130 HydrophobicContact CG-CD2 4.13Å; V74-L130 HydrophobicContact CG2-CB 4.26Å; N126-L130 VanDerWaalsContact O-CG 3.28Å; N126-L130 WeakPolarHBondContact O-CG 3.44Å; N126-L130 PolarHBondContact O-N 2.76Å; V127-L130 PolarHBondContact O-N 3.42Å; I128-L130 PolarHBondContact O-N 3.48Å; I128-L130 VanDerWaalsContact O-N 3.14Å; L130-V132 PolarHBondContact O-N 3.19Å; L130-G133 PolarHBondContact O-N 2.83Å
131A98.8Very high97.9Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-63.2-39.6177.500000112.3L84 A87 V127 I128 G133 E134 M135L84-A131 HydrophobicContact CD2-CB 3.82Å; A87-A131 HydrophobicContact CB-CB 3.97Å; V127-A131 WeakPolarHBondContact O-CB 3.43Å; V127-A131 PolarHBondContact O-N 3.19Å; I128-A131 PolarHBondContact O-N 3.48Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 3.15Å; A131-E134 PolarHBondContact O-N 3.3Å; A131-E134 VanDerWaalsContact O-N 3.07Å; A131-M135 HydrophobicContact CB-CE 4.41Å; A131-M135 WeakPolarHBondContact O-CG 3.46Å; A131-M135 PolarHBondContact O-N 3.27Å
132V98.3Very high97.6Very high25 Ų2543 Ų4315%0.15225%0.248CC..Hα-helixtrans-63.1-32.5179.9-62.30000112.7I128 R129 L130 E134 M135 G136 I149 L185 I190I128-V132 HydrophobicContact CG2-CG1 4.37Å; I128-V132 WeakPolarHBondContact O-CG1 3.34Å; I128-V132 WeakPolarHBondContact O-CG2 3.5Å; I128-V132 PolarHBondContact O-N 2.83Å; R129-V132 VanDerWaalsContact O-CG2 3.25Å; R129-V132 WeakPolarHBondContact O-CG2 3.21Å; L130-V132 PolarHBondContact O-N 3.19Å; V132-E134 PolarHBondContact O-N 3.26Å; V132-M135 PolarHBondContact O-N 2.82Å; V132-G136 PolarHBondContact O-N 3.07Å; V132-I149 HydrophobicContact CG1-CD1 3.54Å; V132-L185 HydrophobicContact CB-CD2 4.16Å; V132-L185 HydrophobicContact CG1-CD1 3.46Å; V132-L185 VanDerWaalsContact CG1-CD1 3.46Å; V132-L185 HydrophobicContact CG1-CD2 3.94Å; V132-L185 HydrophobicContact CG1-CG 4.37Å; V132-L185 HydrophobicContact CG2-CD2 4.39Å; V132-I190 HydrophobicContact CB-CD1 4.16Å; V132-I190 HydrophobicContact CG1-CD1 4.42Å; V132-I190 HydrophobicContact CG1-CG2 4.45Å
133G97.3Very high97.2Very high44 Ų4445.7 Ų45.745%0.45426%0.256SS..Hα-helixtrans-65.5-29.5176.300000112.5L130 A131 K137L130-G133 PolarHBondContact O-N 2.83Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 3.15Å; G133-K137 WeakPolarHBondContact O-CE 3.38Å
134E98.1Very high97Very high10 Ų1047.2 Ų47.25%0.04727%0.272CS..Hα-helixtrans-84.2-42.6174.5-170.954.3-143.700111.9V74 R78 L84 A131 V132 G136 K137V74-E134 HydrophobicContact CG1-CB 3.65Å; V74-E134 HydrophobicContact CG1-CG 4.12Å; R78-E134 WeakPolarHBondContact CB-OE1 3.36Å; R78-E134 WeakPolarHBondContact CD-OE1 3.28Å; R78-E134 IonicContact CZ-OE1 3.25Å; R78-E134 IonicContact NE-OE1 2.77Å; R78-E134 PolarHBondContact NE-OE1 2.67Å; L84-E134 HydrophobicContact CB-CB 4.34Å; L84-E134 HydrophobicContact CB-CG 3.82Å; L84-E134 HydrophobicContact CD2-CB 4.29Å; A131-E134 PolarHBondContact O-N 3.3Å; A131-E134 VanDerWaalsContact O-N 3.07Å; V132-E134 PolarHBondContact O-N 3.26Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.07Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 PolarHBondContact O-N 2.91Å; E134-K137 VanDerWaalsContact O-N 3.13Å; E134-K137 IonicContact OE2-NZ 3.3Å; E134-K137 PolarHBondContact OE2-NZ 3.04Å
135M98.6Very high96.9Very high0 Ų048.2 Ų48.20%028%0.276CS..Hα-helixtrans-58.7-39.2174.6-69.5174.7-178.800111.9L84 A87 A131 V132 K137 N138 C148 I149 I190L84-M135 HydrophobicContact CD2-CE 4.3Å; L84-M135 HydrophobicContact CD2-CG 4.5Å; L84-M135 HydrophobicContact CG-CE 4.11Å; L84-M135 HydrophobicContact CG-CG 4.29Å; L84-M135 WeakPolarHBondContact O-CG 3.36Å; A87-M135 HydrophobicContact CB-CE 3.67Å; A87-M135 VanDerWaalsContact N-CE 3.32Å; A131-M135 HydrophobicContact CB-CE 4.41Å; A131-M135 WeakPolarHBondContact O-CG 3.46Å; A131-M135 PolarHBondContact O-N 3.27Å; V132-M135 PolarHBondContact O-N 2.82Å; M135-K137 PolarHBondContact O-N 3.18Å; M135-K137 VanDerWaalsContact O-N 3.11Å; M135-N138 VanDerWaalsContact O-CB 3.28Å; M135-N138 WeakPolarHBondContact O-CB 3.3Å; M135-N138 PolarHBondContact O-N 3.32Å; M135-N138 PolarHBondContact O-ND2 3.44Å; M135-C148 WeakPolarHBondContact CE-O 3.27Å; M135-I149 HydrophobicContact CE-CG1 4.17Å; M135-I149 HydrophobicContact SD-CG1 4.16Å; M135-I190 HydrophobicContact CB-CD1 3.72Å; M135-I190 HydrophobicContact CB-CG1 4.17Å; M135-I190 HydrophobicContact SD-CG2 3.96Å
136G98Very high96.8Very high28 Ų2846.7 Ų46.729%0.28927%0.267SS..THydrogen-bonded Turntrans-60.9-20.1178.700000114.4V132 E134 R146V132-G136 PolarHBondContact O-N 3.07Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.07Å; G136-R146 PolarHBondContact O-NH1 2.79Å
137K97.8Very high96.8Very high134 Ų13446.1 Ų46.158%0.58326%0.264SS*.THydrogen-bonded Turntrans-82.4-12.1175.7-58.4172-167.8163.10113.3G133 E134 M135G133-K137 WeakPolarHBondContact O-CE 3.38Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 PolarHBondContact O-N 2.91Å; E134-K137 VanDerWaalsContact O-N 3.13Å; E134-K137 IonicContact OE2-NZ 3.3Å; E134-K137 PolarHBondContact OE2-NZ 3.04Å; M135-K137 PolarHBondContact O-N 3.18Å; M135-K137 VanDerWaalsContact O-N 3.11Å
138N98Very high96.8Very high11 Ų1146.2 Ų46.26%0.05927%0.265CS..SBendtrans-68.9141.1176.7-63.9-24.6000109.7K83 L84 M135 R146K83-N138 WeakPolarHBondContact CB-OD1 3.48Å; L84-N138 PolarHBondContact O-ND2 2.74Å; M135-N138 VanDerWaalsContact O-CB 3.28Å; M135-N138 WeakPolarHBondContact O-CB 3.3Å; M135-N138 PolarHBondContact O-N 3.32Å; M135-N138 PolarHBondContact O-ND2 3.44Å; N138-R146 HydrophobicContact CB-CB 4.45Å; N138-R146 PolarHBondContact ND2-O 3.28Å; N138-R146 PolarHBondContact O-NH1 2.76Å
139E96.7Very high96.8Very high166 Ų16646.1 Ų46.178%0.77626%0.264SS*.PPolyproline II helixtrans-59.7132.6164.3-68.8-57.6146.500109.2
140P95.8Very high96.8Very high50 Ų5041.7 Ų41.733%0.32525%0.248SC..PPolyproline II helixtrans-65.9145177.628.6-31.3000109.9H145 R146P140-H145 WeakPolarHBondContact CA-O 3.16Å; P140-R146 HydrophobicContact CB-CG 4.1Å
141D91.6Very high96.8Very high53 Ų5340.6 Ų40.628%0.28324%0.242SC..  trans-72.9-176.616868.323.2000112.1R5 D143 G144 H145R5-D141 IonicContact CZ-OD2 2.96Å; R5-D141 IonicContact NE-OD2 3.84Å; R5-D141 PolarHBondContact NE-OD2 2.94Å; R5-D141 IonicContact NH2-OD2 2.85Å; R5-D141 PolarHBondContact NH2-OD2 3.47Å; D141-D143 PolarHBondContact O-N 2.96Å; D141-D143 VanDerWaalsContact O-N 3.08Å; D141-D143 PolarHBondContact OD1-N 2.85Å; D141-D143 VanDerWaalsContact OD1-N 3.11Å; D141-G144 PolarHBondContact O-N 2.85Å; D141-G144 PolarHBondContact OD1-N 2.88Å; D141-H145 PolarHBondContact N-O 2.74Å; D141-H145 WeakPolarHBondContact OD1-CB 3.27Å; D141-H145 IonicContact OD1-CG 3.55Å; D141-H145 PolarHBondContact OD1-N 2.85Å; D141-H145 IonicContact OD1-ND1 3.55Å; D141-H145 PolarHBondContact OD1-ND1 2.86Å; D141-H145 VanDerWaalsContact OD1-ND1 3.17Å; D141-H145 WeakPolarHBondContact OD2-CB 3.5Å; D141-H145 IonicContact OD2-ND1 2.74Å
142A90.6Very high96.8Very high104 Ų10441 Ų4186%0.8625%0.245SC*.THydrogen-bonded Turntrans-56.9-26.3-176.100000113.9
143D90.4Very high96.8Very high97 Ų9740 Ų4052%0.51924%0.238SC..THydrogen-bonded Turntrans-100.810.3179.8-65.1-41.7000112D141 H145D141-D143 PolarHBondContact O-N 2.96Å; D141-D143 VanDerWaalsContact O-N 3.08Å; D141-D143 PolarHBondContact OD1-N 2.85Å; D141-D143 VanDerWaalsContact OD1-N 3.11Å; D143-H145 VanDerWaalsContact CB-CE1 3.44Å; D143-H145 WeakPolarHBondContact CB-CE1 3.49Å; D143-H145 WeakPolarHBondContact CB-ND1 3.32Å
144G95.4Very high96.9Very high33 Ų3338.4 Ų38.434%0.3422%0.221SC..SBendtrans87.13178.200000114.8D141 G189D141-G144 PolarHBondContact O-N 2.85Å; D141-G144 PolarHBondContact OD1-N 2.88Å; G144-G189 WeakPolarHBondContact O-CA 3.45Å
145H95.9Very high96.9Very high25 Ų2538.1 Ų38.112%0.11622%0.22CC..  trans-79.1134-172.4-57.486.2000112.3P140 D141 D143 G189P140-H145 WeakPolarHBondContact CA-O 3.16Å; D141-H145 PolarHBondContact N-O 2.74Å; D141-H145 WeakPolarHBondContact OD1-CB 3.27Å; D141-H145 IonicContact OD1-CG 3.55Å; D141-H145 PolarHBondContact OD1-N 2.85Å; D141-H145 IonicContact OD1-ND1 3.55Å; D141-H145 PolarHBondContact OD1-ND1 2.86Å; D141-H145 VanDerWaalsContact OD1-ND1 3.17Å; D141-H145 WeakPolarHBondContact OD2-CB 3.5Å; D141-H145 IonicContact OD2-ND1 2.74Å; D143-H145 VanDerWaalsContact CB-CE1 3.44Å; D143-H145 WeakPolarHBondContact CB-CE1 3.49Å; D143-H145 WeakPolarHBondContact CB-ND1 3.32Å; H145-G189 CarbonylContact C-O 3.57Å; H145-G189 WeakPolarHBondContact CA-O 3.31Å
146R98.1Very high96.9Very high70 Ų7038.3 Ų38.326%0.26422%0.221SC..  trans-112.3-23.1176.1-62.3-171-172.2-113.50.6113.7G136 N138 P140 M188 G189 I190G136-R146 PolarHBondContact O-NH1 2.79Å; N138-R146 HydrophobicContact CB-CB 4.45Å; N138-R146 PolarHBondContact ND2-O 3.28Å; N138-R146 PolarHBondContact O-NH1 2.76Å; P140-R146 HydrophobicContact CB-CG 4.1Å; R146-M188 WeakPolarHBondContact CD-O 3.12Å; R146-M188 WeakPolarHBondContact CG-O 3.37Å; R146-G189 PolarHBondContact N-O 3.49Å; R146-I190 HydrophobicContact CB-CG1 4.16Å
147G98.1Very high96.9Very high0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-176.2177.5179.600000114.8D85 I190 R191D85-G147 CarbonylContact O-C 3.59Å; D85-G147 WeakPolarHBondContact O-CA 3.4Å; G147-I190 WeakPolarHBondContact O-CA 3.37Å; G147-R191 PolarHBondContact O-N 2.83Å; G147-R191 VanDerWaalsContact O-N 3.11Å
148C98.8Very high96.9Very high2 Ų236.4 Ų36.41%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-141.6138.7176.3-176.40000110.4D85 L86 A87 M135 R191D85-C148 PolarHBondContact O-N 3.44Å; L86-C148 WeakPolarHBondContact CA-O 3.33Å; L86-C148 HydrophobicContact CD1-CB 3.99Å; L86-C148 WeakPolarHBondContact CD1-O 3.49Å; A87-C148 PolarHBondContact N-O 2.75Å; M135-C148 WeakPolarHBondContact CE-O 3.27Å; C148-R191 CarbonylContact C-O 3.59Å; C148-R191 WeakPolarHBondContact CA-O 3.29Å
149I98.9Very high96.9Very high0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-114.3130.3172.3-62.3-170.1000108.1A87 I128 V132 M135 N151 L185 I190 R191 V192 V193A87-I149 HydrophobicContact CB-CG1 4.41Å; A87-I149 CarbonylContact O-C 3.57Å; A87-I149 WeakPolarHBondContact O-CA 3.29Å; I128-I149 HydrophobicContact CB-CD1 4.21Å; I128-I149 HydrophobicContact CD1-CG2 4.29Å; I128-I149 HydrophobicContact CG1-CD1 4.16Å; I128-I149 HydrophobicContact CG1-CG2 3.88Å; I128-I149 HydrophobicContact CG2-CD1 3.76Å; V132-I149 HydrophobicContact CG1-CD1 3.54Å; M135-I149 HydrophobicContact CE-CG1 4.17Å; M135-I149 HydrophobicContact SD-CG1 4.16Å; I149-N151 WeakPolarHBondContact CG2-OD1 3.03Å; I149-L185 HydrophobicContact CD1-CD1 4.5Å; I149-I190 HydrophobicContact CG1-CG2 4.34Å; I149-R191 PolarHBondContact N-O 2.66Å; I149-V192 HydrophobicContact CB-CG1 4.37Å; I149-V192 HydrophobicContact CB-CG2 4.27Å; I149-V192 HydrophobicContact CG2-CG1 4.27Å; I149-V192 WeakPolarHBondContact O-CA 3.41Å; I149-V193 PolarHBondContact O-N 3.42Å
150I98.9Very high96.9Very high0 Ų031.7 Ų31.70%020%0.2CC..EExtended strand (participates in β ladder)trans-123.5115.8176.5-59.7177.1000108.6L86 A87 V88 N89 V193 I195 V236 V239L86-I150 HydrophobicContact CD1-CD1 3.88Å; L86-I150 HydrophobicContact CD1-CG1 4.11Å; A87-I150 PolarHBondContact O-N 2.88Å; V88-I150 CarbonylContact C-O 3.56Å; V88-I150 VanDerWaalsContact CA-O 3.29Å; V88-I150 WeakPolarHBondContact CA-O 3.49Å; V88-I150 HydrophobicContact CG1-CB 4.34Å; V88-I150 HydrophobicContact CG1-CG2 4.43Å; N89-I150 PolarHBondContact N-O 3.3Å; I150-V193 CarbonylContact C-O 3.47Å; I150-V193 VanDerWaalsContact CA-O 3.27Å; I150-V193 WeakPolarHBondContact CA-O 3.37Å; I150-I195 HydrophobicContact CG2-CD1 3.78Å; I150-I195 HydrophobicContact CG2-CG1 4.11Å; I150-V236 HydrophobicContact CD1-CB 4.44Å; I150-V236 HydrophobicContact CD1-CG1 3.83Å; I150-V236 VanDerWaalsContact CD1-O 3.25Å; I150-V236 WeakPolarHBondContact CD1-O 3.11Å; I150-V236 HydrophobicContact CG2-CG2 4.28Å; I150-V239 HydrophobicContact CD1-CB 3.87Å; I150-V239 HydrophobicContact CD1-CG1 3.65Å; I150-V239 HydrophobicContact CG1-CG1 4Å
151N98.9Very high96.8Very high0 Ų031.8 Ų31.80%020%0.196CC..EExtended strand (participates in β ladder)trans-99152.2179.2-48.9-53.2000111.7N89 T124 I149 I174 V193 T194 I195N89-N151 PolarHBondContact ND2-OD1 3.27Å; T124-N151 HydrophobicContact CG2-CB 4.45Å; I149-N151 WeakPolarHBondContact CG2-OD1 3.03Å; N151-I174 HydrophobicContact CB-CG2 3.64Å; N151-V193 PolarHBondContact N-O 3.44Å; N151-T194 HydrophobicContact CB-CG2 4.36Å; N151-T194 WeakPolarHBondContact CB-OG1 3.36Å; N151-T194 PolarHBondContact ND2-OG1 3.34Å; N151-T194 CarbonylContact O-C 3.54Å; N151-T194 WeakPolarHBondContact O-CA 3.3Å; N151-I195 PolarHBondContact O-N 3.29Å
152T98.9Very high97.1Very high10 Ų1033.6 Ų33.66%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-106101.7173.8-49.30000110.6L21 N89 C90 K171 P197 F232L21-T152 HydrophobicContact CD1-CG2 4.2Å; N89-T152 WeakPolarHBondContact O-CB 3.24Å; N89-T152 PolarHBondContact O-N 3.31Å; N89-T152 PolarHBondContact O-OG1 2.98Å; C90-T152 PolarHBondContact SG-OG1 3.11Å; T152-K171 PolarHBondContact O-NZ 3Å; T152-P197 HydrophobicContact CG2-CG 3.76Å; T152-F232 HydrophobicContact CG2-CE2 4.02Å; T152-F232 HydrophobicContact CG2-CZ 4.09Å; T152-F232 WeakPolarHBondContact OG1-CZ 3.43Å
153A98.6Very high97.3Very high2 Ų229.2 Ų29.22%0.01717%0.173CC..  trans-80.5-138.5167.100000110.3I174 V175 T194 I195 A196A153-I174 HydrophobicContact CB-CB 4.45Å; A153-I174 HydrophobicContact CB-CG2 4.22Å; A153-V175 HydrophobicContact CB-CG2 3.95Å; A153-T194 HydrophobicContact CB-CG2 3.41Å; A153-T194 VanDerWaalsContact CB-CG2 3.41Å; A153-I195 PolarHBondContact N-O 3.15Å; A153-A196 HydrophobicContact CB-CB 4.31Å
154S98.6Very high97.6Very high12 Ų1226.5 Ų26.58%0.08416%0.158CC..  trans-166.4156.7172.2177.60000108.5A156 A157S154-A156 PolarHBondContact O-N 3Å; S154-A156 VanDerWaalsContact O-N 3.16Å; S154-A156 WeakPolarHBondContact OG-CB 3.41Å; S154-A156 PolarHBondContact OG-N 3.17Å; S154-A156 VanDerWaalsContact OG-N 3.07Å; S154-A157 VanDerWaalsContact O-CB 3.23Å; S154-A157 WeakPolarHBondContact O-CB 3.15Å; S154-A157 PolarHBondContact O-N 3.28Å
155V98.4Very high97.8Very high4 Ų426.9 Ų26.92%0.02416%0.158CC..G310 helixtrans-55.6-24.9163.8-63.90000112.5A157 F158 D159 P197 D253 M258V155-A157 PolarHBondContact O-N 3.05Å; V155-A157 VanDerWaalsContact O-N 3.12Å; V155-F158 PolarHBondContact O-N 3.49Å; V155-D159 PolarHBondContact O-N 3.43Å; V155-P197 PolarHBondContact N-O 3.33Å; V155-D253 HydrophobicContact CG1-CB 3.61Å; V155-D253 WeakPolarHBondContact CG1-OD2 3.46Å; V155-M258 HydrophobicContact CG2-CG 3.95Å; V155-M258 HydrophobicContact CG2-SD 4.39Å
156A97.6Very high97.9Very high3 Ų325.8 Ų25.83%0.02515%0.153CC..G310 helixtrans-62.4-15.4173.800000113.7S154 F158 Y167 S168S154-A156 PolarHBondContact O-N 3Å; S154-A156 VanDerWaalsContact O-N 3.16Å; S154-A156 WeakPolarHBondContact OG-CB 3.41Å; S154-A156 PolarHBondContact OG-N 3.17Å; S154-A156 VanDerWaalsContact OG-N 3.07Å; A156-F158 PolarHBondContact O-N 3.29Å; A156-Y167 HydrophobicContact CB-CD1 3.7Å; A156-Y167 HydrophobicContact CB-CE1 3.77Å; A156-S168 WeakPolarHBondContact O-CA 3.25Å; A156-S168 WeakPolarHBondContact O-CB 3.48Å; A156-S168 PolarHBondContact O-OG 3.47Å
157A98.3Very high97.9Very high26 Ų2624.1 Ų24.122%0.21515%0.147CC..G310 helixtrans-66.2-21169.600000112.8S154 V155 K171 V175S154-A157 VanDerWaalsContact O-CB 3.23Å; S154-A157 WeakPolarHBondContact O-CB 3.15Å; S154-A157 PolarHBondContact O-N 3.28Å; V155-A157 PolarHBondContact O-N 3.05Å; V155-A157 VanDerWaalsContact O-N 3.12Å; A157-K171 HydrophobicContact CB-CB 4.01Å; A157-V175 HydrophobicContact CB-CG2 3.83Å
158F98.5Very high97.9Very high97 Ų9725.2 Ų25.243%0.42515%0.154SC..THydrogen-bonded Turntrans-117.6-40.3-177.1-47.4-69.5000111.6V155 A156 V175 A196 V249 R251V155-F158 PolarHBondContact O-N 3.49Å; A156-F158 PolarHBondContact O-N 3.29Å; F158-V175 HydrophobicContact CE1-CG1 4.19Å; F158-V175 HydrophobicContact CE1-CG2 4.32Å; F158-V175 HydrophobicContact CZ-CG1 4.35Å; F158-V175 HydrophobicContact CZ-CG2 3.87Å; F158-A196 HydrophobicContact CE2-CB 3.85Å; F158-V249 HydrophobicContact CE2-CG1 4.33Å; F158-V249 HydrophobicContact CZ-CG1 3.94Å; F158-R251 HydrophobicContact CE2-CG 4.2Å
159D98Very high97.9Very high34 Ų3427 Ų2718%0.18217%0.17CC..SBendtrans-119.957.7-173.7-45.4-35.7000109.5V155 Q161 R251 R257 M258V155-D159 PolarHBondContact O-N 3.43Å; D159-Q161 PolarHBondContact O-N 2.95Å; D159-R251 IonicContact OD1-NH1 2.66Å; D159-R251 IonicContact OD2-CZ 3.68Å; D159-R251 VanDerWaalsContact OD2-CZ 3.3Å; D159-R251 IonicContact OD2-NH1 3.15Å; D159-R251 PolarHBondContact OD2-NH1 3.47Å; D159-R251 IonicContact OD2-NH2 3.17Å; D159-R251 PolarHBondContact OD2-NH2 3.48Å; D159-R257 VanDerWaalsContact OD2-CD 3.28Å; D159-R257 WeakPolarHBondContact OD2-CD 3.49Å; D159-M258 HydrophobicContact CB-CB 3.82Å; D159-M258 HydrophobicContact CB-CG 4.13Å; D159-M258 WeakPolarHBondContact O-CB 3.45Å
160G96Very high97.9Very high43 Ų4327 Ų2744%0.44317%0.17SC..PPolyproline II helixtrans-66.3127.5179.800000112.6S168G160-S168 VanDerWaalsContact CA-OG 3.24Å; G160-S168 WeakPolarHBondContact CA-OG 3.49Å
161Q95.2Very high97.9Very high53 Ų5327.4 Ų27.425%0.24817%0.172CC..PPolyproline II helixtrans-86.2171.6178.1-54.3-170.4-85.400112.7D159 G163 Q164 M258 Q259D159-Q161 PolarHBondContact O-N 2.95Å; Q161-G163 PolarHBondContact O-N 3.26Å; Q161-Q164 HydrophobicContact CB-CG 4.2Å; Q161-Q164 VanDerWaalsContact CB-OE1 3.3Å; Q161-Q164 WeakPolarHBondContact O-CB 3.24Å; Q161-Q164 PolarHBondContact O-N 3.4Å; Q161-M258 HydrophobicContact CG-CB 3.76Å; Q161-M258 HydrophobicContact CG-CE 4.24Å; Q161-Q259 WeakPolarHBondContact CG-O 3.45Å; Q161-Q259 PolarHBondContact NE2-O 3.14Å
162V96.2Very high97.9Very high91 Ų9128.7 Ų28.755%0.55219%0.185SC*.THydrogen-bonded Turntrans-56.2125.6174.9173.50000110.9K98 P260K98-V162 HydrophobicContact CD-CG1 4.36Å; K98-V162 HydrophobicContact CG-CG1 4.1Å; V162-P260 WeakPolarHBondContact CB-OXT 3.42Å; V162-P260 HydrophobicContact CG2-CB 4.28Å; V162-P260 VanDerWaalsContact CG2-OXT 3.23Å; V162-P260 WeakPolarHBondContact CG2-OXT 3.4Å; V162-P260 PolarHBondContact N-OXT 2.81Å
163G95.4Very high97.9Very high11 Ų1129.4 Ų29.411%0.11319%0.194CC..THydrogen-bonded Turntrans87.70.8-179.800000115.1A96 I97 Q161A96-G163 CarbonylContact C-O 3.53Å; A96-G163 WeakPolarHBondContact CA-O 3.49Å; I97-G163 CarbonylContact C-O 3.56Å; I97-G163 PolarHBondContact N-O 3.05Å; I97-G163 CarbonylContact O-C 3.47Å; I97-G163 VanDerWaalsContact O-CA 3.31Å; I97-G163 WeakPolarHBondContact O-CA 3.35Å; I97-G163 VanDerWaalsContact O-O 3.06Å; Q161-G163 PolarHBondContact O-N 3.26Å
164Q97.4Very high97.9Very high40 Ų4029.3 Ų29.319%0.18719%0.193CC..  trans-94.716.8179.8-62.7-168.6-54.100113.9Q161 A166 Y167 S168Q161-Q164 HydrophobicContact CB-CG 4.2Å; Q161-Q164 VanDerWaalsContact CB-OE1 3.3Å; Q161-Q164 WeakPolarHBondContact O-CB 3.24Å; Q161-Q164 PolarHBondContact O-N 3.4Å; Q164-A166 PolarHBondContact O-N 3.31Å; Q164-Y167 PolarHBondContact O-N 2.79Å; Q164-S168 VanDerWaalsContact O-CB 3.28Å; Q164-S168 WeakPolarHBondContact O-CB 3.46Å; Q164-S168 PolarHBondContact O-N 3.19Å; Q164-S168 PolarHBondContact O-OG 2.81Å
165A98.5Very high97.9Very high42 Ų4230.4 Ų30.435%0.34720%0.199SC..Hα-helixtrans-52.6-50.2-174.400000113.3A169A165-A169 WeakPolarHBondContact O-CB 3.27Å; A165-A169 PolarHBondContact O-N 3.41Å
166A98.4Very high97.9Very high1 Ų132.8 Ų32.81%0.00823%0.225CC..Hα-helixtrans-63.8-43.4176.800000112.5V95 F113 V116 Q164 S170V95-A166 HydrophobicContact CG2-CB 4.09Å; F113-A166 HydrophobicContact CB-CB 4.47Å; F113-A166 HydrophobicContact CD2-CB 3.58Å; F113-A166 HydrophobicContact CE2-CB 4.12Å; F113-A166 HydrophobicContact CG-CB 4.25Å; V116-A166 HydrophobicContact CB-CB 4.11Å; V116-A166 HydrophobicContact CG1-CB 4.13Å; V116-A166 HydrophobicContact CG2-CB 4.26Å; Q164-A166 PolarHBondContact O-N 3.31Å; A166-S170 WeakPolarHBondContact O-CB 3.45Å; A166-S170 PolarHBondContact O-N 2.71Å
167Y98.1Very high98Very high35 Ų3533.9 Ų33.914%0.13723%0.229CC..Hα-helixtrans-68-49.4-178.3-173.2-114.2000111.8I93 A94 A156 Q164 A169 S170 K171I93-Y167 WeakPolarHBondContact O-CD2 3.33Å; I93-Y167 WeakPolarHBondContact O-CE2 3.47Å; A94-Y167 HydrophobicContact CB-CD2 3.68Å; A94-Y167 HydrophobicContact CB-CE2 3.68Å; A94-Y167 HydrophobicContact CB-CG 4.22Å; A156-Y167 HydrophobicContact CB-CD1 3.7Å; A156-Y167 HydrophobicContact CB-CE1 3.77Å; Q164-Y167 PolarHBondContact O-N 2.79Å; Y167-A169 PolarHBondContact O-N 2.8Å; Y167-S170 WeakPolarHBondContact O-CB 3.5Å; Y167-S170 PolarHBondContact O-N 2.68Å; Y167-S170 VanDerWaalsContact O-N 3.13Å; Y167-S170 PolarHBondContact O-OG 3.22Å; Y167-K171 HydrophobicContact CD2-CG 4.38Å; Y167-K171 HydrophobicContact CE1-CG 4.18Å; Y167-K171 HydrophobicContact CE2-CD 4.35Å; Y167-K171 HydrophobicContact CE2-CG 4.06Å; Y167-K171 WeakPolarHBondContact O-CG 3.25Å; Y167-K171 PolarHBondContact O-N 3.2Å
168S98.6Very high98Very high23 Ų2332.7 Ų32.716%0.16122%0.219CC..Hα-helixtrans-59-44.5174.8-70.40000112A156 G160 Q164 S170 K171 G172A156-S168 WeakPolarHBondContact O-CA 3.25Å; A156-S168 WeakPolarHBondContact O-CB 3.48Å; A156-S168 PolarHBondContact O-OG 3.47Å; G160-S168 VanDerWaalsContact CA-OG 3.24Å; G160-S168 WeakPolarHBondContact CA-OG 3.49Å; Q164-S168 VanDerWaalsContact O-CB 3.28Å; Q164-S168 WeakPolarHBondContact O-CB 3.46Å; Q164-S168 PolarHBondContact O-N 3.19Å; Q164-S168 PolarHBondContact O-OG 2.81Å; S168-S170 VanDerWaalsContact C-N 3.31Å; S168-S170 PolarHBondContact O-N 2.74Å; S168-K171 PolarHBondContact O-N 3.17Å; S168-G172 PolarHBondContact O-N 3.45Å
169A98.8Very high98Very high41 Ų4131.7 Ų31.734%0.33922%0.218SC..Hα-helixtrans-59.2-44.4173.700000111.1F113 I117 A165 Y167 K171 G172 G173F113-A169 HydrophobicContact CE2-CB 4.17Å; F113-A169 HydrophobicContact CZ-CB 3.96Å; I117-A169 HydrophobicContact CD1-CB 4.17Å; A165-A169 WeakPolarHBondContact O-CB 3.27Å; A165-A169 PolarHBondContact O-N 3.41Å; Y167-A169 PolarHBondContact O-N 2.8Å; A169-K171 PolarHBondContact O-N 3.25Å; A169-G172 PolarHBondContact O-N 2.96Å; A169-G173 PolarHBondContact O-N 2.66Å
170S98.7Very high98.1Very high0 Ų033 Ų330%023%0.228CC..Hα-helixtrans-62.9-43.1179.2820000113.3N120 I121 A166 Y167 S168 G173 I174N120-S170 PolarHBondContact ND2-OG 3.1Å; I121-S170 WeakPolarHBondContact CG1-O 3.35Å; A166-S170 WeakPolarHBondContact O-CB 3.45Å; A166-S170 PolarHBondContact O-N 2.71Å; Y167-S170 WeakPolarHBondContact O-CB 3.5Å; Y167-S170 PolarHBondContact O-N 2.68Å; Y167-S170 VanDerWaalsContact O-N 3.13Å; Y167-S170 PolarHBondContact O-OG 3.22Å; S168-S170 VanDerWaalsContact C-N 3.31Å; S168-S170 PolarHBondContact O-N 2.74Å; S170-G173 PolarHBondContact O-N 3.04Å; S170-I174 PolarHBondContact O-N 3.35Å
171K98.6Very high98.2Very high8 Ų831.6 Ų31.64%0.03521%0.211CC..Hα-helixtrans-78-31.5-179.1-61.1-50.3-162.1172.70112.1T152 A157 Y167 S168 A169 G173 I174 V175T152-K171 PolarHBondContact O-NZ 3Å; A157-K171 HydrophobicContact CB-CB 4.01Å; Y167-K171 HydrophobicContact CD2-CG 4.38Å; Y167-K171 HydrophobicContact CE1-CG 4.18Å; Y167-K171 HydrophobicContact CE2-CD 4.35Å; Y167-K171 HydrophobicContact CE2-CG 4.06Å; Y167-K171 WeakPolarHBondContact O-CG 3.25Å; Y167-K171 PolarHBondContact O-N 3.2Å; S168-K171 PolarHBondContact O-N 3.17Å; A169-K171 PolarHBondContact O-N 3.25Å; K171-G173 VanDerWaalsContact C-N 3.35Å; K171-I174 HydrophobicContact CD-CD1 3.86Å; K171-I174 PolarHBondContact O-N 3.33Å; K171-V175 WeakPolarHBondContact O-CG2 3.48Å; K171-V175 PolarHBondContact O-N 3.44Å; K171-V175 VanDerWaalsContact O-N 3.07Å
172G98.8Very high98.4Very high27 Ų2729.2 Ų29.228%0.27820%0.2SC..Hα-helixtrans-64.1-36.716900000112.7S168 A169 I174 V175 G176S168-G172 PolarHBondContact O-N 3.45Å; A169-G172 PolarHBondContact O-N 2.96Å; G172-I174 PolarHBondContact O-N 3.28Å; G172-V175 WeakPolarHBondContact O-CB 3.46Å; G172-V175 PolarHBondContact O-N 3.18Å; G172-G176 PolarHBondContact O-N 3.42Å
173G98.8Very high98.5Very high24 Ų2433.1 Ų33.125%0.24721%0.205CC..Hα-helixtrans-61.7-41.4171.700000112.8A169 S170 K171 G176 M177A169-G173 PolarHBondContact O-N 2.66Å; S170-G173 PolarHBondContact O-N 3.04Å; K171-G173 VanDerWaalsContact C-N 3.35Å; G173-G176 PolarHBondContact O-N 2.89Å; G173-M177 WeakPolarHBondContact O-CG 3.28Å; G173-M177 PolarHBondContact O-N 3.36Å
174I98.9Very high98.7Very high0 Ų038.4 Ų38.40%023%0.23CC..Hα-helixtrans-62.5-43.1174.4-62.4171.4000111.2N151 A153 S170 K171 G172 M177 T178 T194N151-I174 HydrophobicContact CB-CG2 3.64Å; A153-I174 HydrophobicContact CB-CB 4.45Å; A153-I174 HydrophobicContact CB-CG2 4.22Å; S170-I174 PolarHBondContact O-N 3.35Å; K171-I174 HydrophobicContact CD-CD1 3.86Å; K171-I174 PolarHBondContact O-N 3.33Å; G172-I174 PolarHBondContact O-N 3.28Å; I174-M177 HydrophobicContact CB-CE 4.29Å; I174-M177 HydrophobicContact CG1-CE 4.02Å; I174-M177 HydrophobicContact CG2-CE 4.27Å; I174-M177 WeakPolarHBondContact O-CG 3.4Å; I174-M177 PolarHBondContact O-N 3.44Å; I174-T178 PolarHBondContact O-N 3.05Å; I174-T178 PolarHBondContact O-OG1 2.93Å; I174-T194 HydrophobicContact CG2-CG2 3.96Å
175V98.9Very high98.8Very high36 Ų3637.6 Ų37.622%0.21823%0.228CC..Hα-helixtrans-57.9-52.3172.8167.30000110.4A153 A157 F158 K171 G172 M177 T178 V249A153-V175 HydrophobicContact CB-CG2 3.95Å; A157-V175 HydrophobicContact CB-CG2 3.83Å; F158-V175 HydrophobicContact CE1-CG1 4.19Å; F158-V175 HydrophobicContact CE1-CG2 4.32Å; F158-V175 HydrophobicContact CZ-CG1 4.35Å; F158-V175 HydrophobicContact CZ-CG2 3.87Å; K171-V175 WeakPolarHBondContact O-CG2 3.48Å; K171-V175 PolarHBondContact O-N 3.44Å; K171-V175 VanDerWaalsContact O-N 3.07Å; G172-V175 WeakPolarHBondContact O-CB 3.46Å; G172-V175 PolarHBondContact O-N 3.18Å; V175-M177 VanDerWaalsContact C-N 3.28Å; V175-M177 PolarHBondContact O-N 3.34Å; V175-T178 WeakPolarHBondContact O-CB 3.32Å; V175-T178 PolarHBondContact O-N 3.18Å; V175-T178 VanDerWaalsContact O-N 3.11Å; V175-T178 PolarHBondContact O-OG1 2.88Å; V175-V249 HydrophobicContact CB-CG2 4.44Å; V175-V249 HydrophobicContact CG1-CG2 4.07Å; V175-V249 HydrophobicContact CG2-CG1 4.16Å; V175-V249 HydrophobicContact CG2-CG2 4.24Å
176G98.8Very high98.8Very high54 Ų5438.3 Ų38.356%0.55723%0.233SC*.Hα-helixtrans-60.8-32.6-176.700000114.1G172 G173 P180G172-G176 PolarHBondContact O-N 3.42Å; G173-G176 PolarHBondContact O-N 2.89Å; G176-P180 VanDerWaalsContact O-CD 3.26Å; G176-P180 WeakPolarHBondContact O-CD 3.41Å; G176-P180 WeakPolarHBondContact O-CG 3.24Å
177M98.8Very high98.7Very high25 Ų2543.2 Ų43.212%0.12327%0.265CS..Hα-helixtrans-86-7.4178.975.1-173.1-172.100114.4T124 I128 G173 I174 V175 I181T124-M177 HydrophobicContact CG2-CE 3.38Å; I128-M177 HydrophobicContact CD1-CE 3.98Å; G173-M177 WeakPolarHBondContact O-CG 3.28Å; G173-M177 PolarHBondContact O-N 3.36Å; I174-M177 HydrophobicContact CB-CE 4.29Å; I174-M177 HydrophobicContact CG1-CE 4.02Å; I174-M177 HydrophobicContact CG2-CE 4.27Å; I174-M177 WeakPolarHBondContact O-CG 3.4Å; I174-M177 PolarHBondContact O-N 3.44Å; V175-M177 VanDerWaalsContact C-N 3.28Å; V175-M177 PolarHBondContact O-N 3.34Å; M177-I181 HydrophobicContact CB-CD1 3.82Å; M177-I181 HydrophobicContact CB-CG1 4.4Å; M177-I181 HydrophobicContact CG-CD1 3.81Å; M177-I181 WeakPolarHBondContact O-CB 3.45Å; M177-I181 WeakPolarHBondContact O-CD1 3.36Å; M177-I181 WeakPolarHBondContact O-CG1 3.24Å; M177-I181 PolarHBondContact O-N 3.23Å; M177-I181 HydrophobicContact SD-CD1 4.16Å
178T98.9Very high98.8Very high1 Ų146.3 Ų46.31%0.00628%0.282CS..Hα-helixtrans-63.9-56.6-175.1-59.80000112.4I174 V175 A182 V192 T194I174-T178 PolarHBondContact O-N 3.05Å; I174-T178 PolarHBondContact O-OG1 2.93Å; V175-T178 WeakPolarHBondContact O-CB 3.32Å; V175-T178 PolarHBondContact O-N 3.18Å; V175-T178 VanDerWaalsContact O-N 3.11Å; V175-T178 PolarHBondContact O-OG1 2.88Å; T178-A182 WeakPolarHBondContact O-CB 3.27Å; T178-A182 PolarHBondContact O-N 2.83Å; T178-V192 HydrophobicContact CG2-CG1 4.45Å; T178-T194 WeakPolarHBondContact OG1-CB 3.41Å; T178-T194 PolarHBondContact OG1-OG1 3.05Å
179L98.9Very high98.7Very high77 Ų7746 Ų4640%0.40328%0.282SS..Hα-helixtrans-65.1-46.5-178.8-178.762.2000114.1A182 R183L179-A182 PolarHBondContact O-N 2.86Å; L179-R183 HydrophobicContact CD1-CG 4.44Å; L179-R183 WeakPolarHBondContact O-CG 3.23Å; L179-R183 PolarHBondContact O-N 3.3Å
180P98.9Very high98.7Very high60 Ų6044.2 Ų44.239%0.3927%0.267SS..Hα-helixtrans-63-43.5179.222.7-32.8000112G176 A182 R183 D184G176-P180 VanDerWaalsContact O-CD 3.26Å; G176-P180 WeakPolarHBondContact O-CD 3.41Å; G176-P180 WeakPolarHBondContact O-CG 3.24Å; P180-A182 VanDerWaalsContact C-N 3.34Å; P180-A182 PolarHBondContact O-N 2.96Å; P180-R183 WeakPolarHBondContact O-CB 3.44Å; P180-R183 PolarHBondContact O-N 3.32Å; P180-R183 VanDerWaalsContact O-N 3.11Å; P180-D184 PolarHBondContact O-N 2.79Å
181I98.9Very high98.7Very high15 Ų1544.5 Ų44.58%0.07727%0.268CS..Hα-helixtrans-65.2-39.1177.6-59.3172000110.7F125 I128 M177 R183 D184 L185 V192F125-I181 HydrophobicContact CD2-CD1 4.13Å; F125-I181 HydrophobicContact CE2-CD1 4.31Å; I128-I181 HydrophobicContact CD1-CD1 4.08Å; I128-I181 HydrophobicContact CG2-CD1 4.49Å; I128-I181 HydrophobicContact CG2-CG2 3.99Å; M177-I181 HydrophobicContact CB-CD1 3.82Å; M177-I181 HydrophobicContact CB-CG1 4.4Å; M177-I181 HydrophobicContact CG-CD1 3.81Å; M177-I181 WeakPolarHBondContact O-CB 3.45Å; M177-I181 WeakPolarHBondContact O-CD1 3.36Å; M177-I181 WeakPolarHBondContact O-CG1 3.24Å; M177-I181 PolarHBondContact O-N 3.23Å; M177-I181 HydrophobicContact SD-CD1 4.16Å; I181-R183 VanDerWaalsContact C-N 3.26Å; I181-R183 PolarHBondContact O-N 3.06Å; I181-D184 PolarHBondContact O-N 2.97Å; I181-L185 HydrophobicContact CG2-CD1 3.64Å; I181-L185 HydrophobicContact CG2-CG 4.17Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 2.81Å; I181-V192 HydrophobicContact CB-CG2 4.41Å; I181-V192 HydrophobicContact CG2-CG2 3.83Å
182A98.9Very high98.8Very high3 Ų344.1 Ų44.13%0.02527%0.266CS..Hα-helixtrans-58-38.7173.800000112.5T178 L179 P180 A186 V192T178-A182 WeakPolarHBondContact O-CB 3.27Å; T178-A182 PolarHBondContact O-N 2.83Å; L179-A182 PolarHBondContact O-N 2.86Å; P180-A182 VanDerWaalsContact C-N 3.34Å; P180-A182 PolarHBondContact O-N 2.96Å; A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 3.3Å; A182-A186 VanDerWaalsContact O-N 3.09Å; A182-V192 HydrophobicContact CB-CB 4Å; A182-V192 HydrophobicContact CB-CG2 4.43Å
183R98.9Very high98.8Very high172 Ų17242.8 Ų42.865%0.64925%0.253SS*.Hα-helixtrans-70.6-42.9177.2-73.5174.4172.3169.4-1.6112L179 P180 I181 L185 A186L179-R183 HydrophobicContact CD1-CG 4.44Å; L179-R183 WeakPolarHBondContact O-CG 3.23Å; L179-R183 PolarHBondContact O-N 3.3Å; P180-R183 WeakPolarHBondContact O-CB 3.44Å; P180-R183 PolarHBondContact O-N 3.32Å; P180-R183 VanDerWaalsContact O-N 3.11Å; I181-R183 VanDerWaalsContact C-N 3.26Å; I181-R183 PolarHBondContact O-N 3.06Å; R183-L185 PolarHBondContact O-N 2.85Å; R183-A186 PolarHBondContact O-N 2.82Å
184D98.8Very high98.8Very high122 Ų12241.7 Ų41.765%0.65224%0.241SC*.Hα-helixtrans-59.8-38177.9-70.5-12.5000111.7P180 I181P180-D184 PolarHBondContact O-N 2.79Å; I181-D184 PolarHBondContact O-N 2.97Å
185L98.8Very high98.8Very high24 Ų2441.7 Ų41.713%0.12624%0.241CC..Hα-helixtrans-94.1-6.6-174.9-61.1178.6000114.3V132 I149 I181 R183 M188 G189 I190 V192V132-L185 HydrophobicContact CB-CD2 4.16Å; V132-L185 HydrophobicContact CG1-CD1 3.46Å; V132-L185 VanDerWaalsContact CG1-CD1 3.46Å; V132-L185 HydrophobicContact CG1-CD2 3.94Å; V132-L185 HydrophobicContact CG1-CG 4.37Å; V132-L185 HydrophobicContact CG2-CD2 4.39Å; I149-L185 HydrophobicContact CD1-CD1 4.5Å; I181-L185 HydrophobicContact CG2-CD1 3.64Å; I181-L185 HydrophobicContact CG2-CG 4.17Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 2.81Å; R183-L185 PolarHBondContact O-N 2.85Å; L185-M188 WeakPolarHBondContact O-CA 3.48Å; L185-M188 WeakPolarHBondContact O-CB 3.42Å; L185-M188 PolarHBondContact O-N 2.63Å; L185-G189 PolarHBondContact O-N 3.41Å; L185-I190 HydrophobicContact CB-CB 4.1Å; L185-I190 HydrophobicContact CD1-CB 4.45Å; L185-I190 HydrophobicContact CD1-CG2 4.06Å; L185-I190 PolarHBondContact O-N 2.87Å; L185-V192 HydrophobicContact CD1-CG2 3.79Å
186A98.6Very high98.8Very high56 Ų5640 Ų4046%0.46323%0.231SC..G310 helixtrans-56.7-43.2179.600000113.2A182 R183 M188 G189A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 3.3Å; A182-A186 VanDerWaalsContact O-N 3.09Å; R183-A186 PolarHBondContact O-N 2.82Å; A186-M188 PolarHBondContact O-N 2.79Å; A186-M188 VanDerWaalsContact O-N 3.15Å; A186-G189 PolarHBondContact O-N 3.26Å
187P98.1Very high98.8Very high105 Ų10537.7 Ų37.768%0.68221%0.207SC*.G310 helixtrans-61.5-23.7176.1-23.635.5000113.7
188M98.3Very high98.7Very high100 Ų10037.1 Ų37.149%0.49321%0.207SC..G310 helixtrans-90.3-0.8177.9-59.5-65.196.400112.7R146 L185 A186 I190R146-M188 WeakPolarHBondContact CD-O 3.12Å; R146-M188 WeakPolarHBondContact CG-O 3.37Å; L185-M188 WeakPolarHBondContact O-CA 3.48Å; L185-M188 WeakPolarHBondContact O-CB 3.42Å; L185-M188 PolarHBondContact O-N 2.63Å; A186-M188 PolarHBondContact O-N 2.79Å; A186-M188 VanDerWaalsContact O-N 3.15Å; M188-I190 VanDerWaalsContact C-N 3.31Å; M188-I190 HydrophobicContact CB-CD1 4.18Å; M188-I190 HydrophobicContact CB-CG1 4.4Å; M188-I190 PolarHBondContact O-N 2.91Å
189G98.2Very high98.5Very high16 Ų1638.3 Ų38.317%0.16521%0.213CC..THydrogen-bonded Turntrans66.430.9-177.900000113.5G144 H145 R146 L185 A186G144-G189 WeakPolarHBondContact O-CA 3.45Å; H145-G189 CarbonylContact C-O 3.57Å; H145-G189 WeakPolarHBondContact CA-O 3.31Å; R146-G189 PolarHBondContact N-O 3.49Å; L185-G189 PolarHBondContact O-N 3.41Å; A186-G189 PolarHBondContact O-N 3.26Å
190I98.8Very high98.4Very high3 Ų335.3 Ų35.32%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-110.1121.8177.2-60.2164.6000108.9V132 M135 R146 G147 I149 L185 M188V132-I190 HydrophobicContact CB-CD1 4.16Å; V132-I190 HydrophobicContact CG1-CD1 4.42Å; V132-I190 HydrophobicContact CG1-CG2 4.45Å; M135-I190 HydrophobicContact CB-CD1 3.72Å; M135-I190 HydrophobicContact CB-CG1 4.17Å; M135-I190 HydrophobicContact SD-CG2 3.96Å; R146-I190 HydrophobicContact CB-CG1 4.16Å; G147-I190 WeakPolarHBondContact O-CA 3.37Å; I149-I190 HydrophobicContact CG1-CG2 4.34Å; L185-I190 HydrophobicContact CB-CB 4.1Å; L185-I190 HydrophobicContact CD1-CB 4.45Å; L185-I190 HydrophobicContact CD1-CG2 4.06Å; L185-I190 PolarHBondContact O-N 2.87Å; M188-I190 VanDerWaalsContact C-N 3.31Å; M188-I190 HydrophobicContact CB-CD1 4.18Å; M188-I190 HydrophobicContact CB-CG1 4.4Å; M188-I190 PolarHBondContact O-N 2.91Å
191R98.8Very high98Very high6 Ų634.8 Ų34.82%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-86.1151178.7-62.4-175.1-64.1109.1-6.5111.2G147 C148 I149 V239 A240 N242 P243 I245 N246G147-R191 PolarHBondContact O-N 2.83Å; G147-R191 VanDerWaalsContact O-N 3.11Å; C148-R191 CarbonylContact C-O 3.59Å; C148-R191 WeakPolarHBondContact CA-O 3.29Å; I149-R191 PolarHBondContact N-O 2.66Å; R191-V239 PolarHBondContact NH1-O 2.88Å; R191-V239 PolarHBondContact NH2-O 3.22Å; R191-A240 PolarHBondContact NH2-O 3.42Å; R191-N242 PolarHBondContact NH1-O 3.03Å; R191-P243 WeakPolarHBondContact CD-O 3.5Å; R191-I245 PolarHBondContact NH1-O 3.03Å; R191-N246 VanDerWaalsContact CA-OD1 3.3Å; R191-N246 WeakPolarHBondContact CA-OD1 3.5Å; R191-N246 HydrophobicContact CB-CB 4.39Å; R191-N246 WeakPolarHBondContact CB-OD1 3.46Å; R191-N246 HydrophobicContact CG-CB 4.21Å
192V98.9Very high97.5Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-131.8124.2172-172.20000108.9I149 T178 I181 A182 L185 N246 G247I149-V192 HydrophobicContact CB-CG1 4.37Å; I149-V192 HydrophobicContact CB-CG2 4.27Å; I149-V192 HydrophobicContact CG2-CG1 4.27Å; I149-V192 WeakPolarHBondContact O-CA 3.41Å; T178-V192 HydrophobicContact CG2-CG1 4.45Å; I181-V192 HydrophobicContact CB-CG2 4.41Å; I181-V192 HydrophobicContact CG2-CG2 3.83Å; A182-V192 HydrophobicContact CB-CB 4Å; A182-V192 HydrophobicContact CB-CG2 4.43Å; L185-V192 HydrophobicContact CD1-CG2 3.79Å; V192-N246 PolarHBondContact N-OD1 3.02Å; V192-N246 PolarHBondContact O-OD1 3.28Å; V192-G247 WeakPolarHBondContact O-CA 3.39Å; V192-G247 PolarHBondContact O-N 3.09Å
193V98.9Very high96.8Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-133.6151.2-179.7-176.30000108.2I149 I150 N151 V239 I245 I250I149-V193 PolarHBondContact O-N 3.42Å; I150-V193 CarbonylContact C-O 3.47Å; I150-V193 VanDerWaalsContact CA-O 3.27Å; I150-V193 WeakPolarHBondContact CA-O 3.37Å; N151-V193 PolarHBondContact N-O 3.44Å; V193-V239 HydrophobicContact CB-CG1 3.77Å; V193-V239 HydrophobicContact CG1-CG1 3.78Å; V193-V239 HydrophobicContact CG1-CG2 4.45Å; V193-V239 HydrophobicContact CG2-CG1 3.73Å; V193-I245 HydrophobicContact CG1-CG2 3.89Å; V193-I245 HydrophobicContact CG2-CG2 3.87Å; V193-I245 VanDerWaalsContact CG2-O 3.27Å; V193-I245 WeakPolarHBondContact CG2-O 3.23Å; V193-I250 HydrophobicContact CG1-CD1 4.35Å
194T98.9Very high95.7Very high0 Ų036.3 Ų36.30%022%0.223CC..EExtended strand (participates in β ladder)trans-123.9137.7175-67.80000109.8N151 A153 I174 T178 E248 V249 I250N151-T194 HydrophobicContact CB-CG2 4.36Å; N151-T194 WeakPolarHBondContact CB-OG1 3.36Å; N151-T194 PolarHBondContact ND2-OG1 3.34Å; N151-T194 CarbonylContact O-C 3.54Å; N151-T194 WeakPolarHBondContact O-CA 3.3Å; A153-T194 HydrophobicContact CB-CG2 3.41Å; A153-T194 VanDerWaalsContact CB-CG2 3.41Å; I174-T194 HydrophobicContact CG2-CG2 3.96Å; T178-T194 WeakPolarHBondContact OG1-CB 3.41Å; T178-T194 PolarHBondContact OG1-OG1 3.05Å; T194-E248 PolarHBondContact N-O 2.95Å; T194-V249 HydrophobicContact CG2-CG1 4Å; T194-V249 HydrophobicContact CG2-CG2 4.38Å; T194-V249 CarbonylContact O-C 3.56Å; T194-V249 VanDerWaalsContact O-CA 3.27Å; T194-V249 WeakPolarHBondContact O-CA 3.31Å; T194-I250 PolarHBondContact O-N 3.27Å
195I98.9Very high94.8Very high0 Ų031.8 Ų31.80%020%0.199CC..EExtended strand (participates in β ladder)trans-103.8135.4169.4-60.4169.7000107I150 N151 A153 P197 F232 L235 V236 I250 L252I150-I195 HydrophobicContact CG2-CD1 3.78Å; I150-I195 HydrophobicContact CG2-CG1 4.11Å; N151-I195 PolarHBondContact O-N 3.29Å; A153-I195 PolarHBondContact N-O 3.15Å; I195-P197 HydrophobicContact CG2-CG 4.28Å; I195-P197 WeakPolarHBondContact O-CD 3.3Å; I195-F232 HydrophobicContact CB-CE2 3.82Å; I195-F232 HydrophobicContact CD1-CE2 4.04Å; I195-F232 HydrophobicContact CD1-CZ 4.25Å; I195-F232 HydrophobicContact CG2-CD2 3.85Å; I195-F232 HydrophobicContact CG2-CE2 3.56Å; I195-L235 HydrophobicContact CB-CD2 4.48Å; I195-L235 HydrophobicContact CD1-CB 4.25Å; I195-L235 HydrophobicContact CD1-CD2 3.87Å; I195-L235 HydrophobicContact CD1-CG 3.78Å; I195-L235 HydrophobicContact CG1-CD2 3.9Å; I195-L235 HydrophobicContact CG1-CG 4.23Å; I195-L235 HydrophobicContact CG2-CD2 3.77Å; I195-V236 HydrophobicContact CD1-CG2 3.71Å; I195-I250 CarbonylContact C-O 3.54Å; I195-I250 WeakPolarHBondContact CA-O 3.24Å; I195-L252 HydrophobicContact CG2-CB 4.18Å
196A98.8Very high93.7Very high0 Ų033.7 Ų33.70%022%0.218CC..EExtended strand (participates in β ladder)trans-111.989.9174.800000109.4A153 F158 V249 I250 R251 L252A153-A196 HydrophobicContact CB-CB 4.31Å; F158-A196 HydrophobicContact CE2-CB 3.85Å; A196-V249 HydrophobicContact CB-CG1 3.9Å; A196-I250 PolarHBondContact N-O 3.22Å; A196-R251 HydrophobicContact CB-CG 4.31Å; A196-R251 WeakPolarHBondContact O-CA 3.28Å; A196-L252 PolarHBondContact O-N 3.45Å
197P98.4Very high92.5Very high7 Ų734.5 Ų34.55%0.04523%0.232CC..EExtended strand (participates in β ladder)trans-68.2144.1179.9-18.232.1000111.8L21 T152 V155 I195 F200 F232 L252L21-P197 HydrophobicContact CD1-CB 4.4Å; L21-P197 HydrophobicContact CD1-CG 3.97Å; T152-P197 HydrophobicContact CG2-CG 3.76Å; V155-P197 PolarHBondContact N-O 3.33Å; I195-P197 HydrophobicContact CG2-CG 4.28Å; I195-P197 WeakPolarHBondContact O-CD 3.3Å; P197-F200 HydrophobicContact CB-CD2 3.69Å; P197-F200 HydrophobicContact CB-CE2 3.63Å; P197-F232 HydrophobicContact CG-CD2 3.79Å; P197-F232 HydrophobicContact CG-CE2 3.69Å; P197-L252 WeakPolarHBondContact CA-O 3.48Å
198G97.1Very high91.5Very high13 Ų1332.5 Ų32.513%0.13422%0.215CC..  trans-75.7-137.316200000112L252G198-L252 PolarHBondContact N-O 3.24Å
199L95.1Very high90.9Very high26 Ų2632 Ų3214%0.13622%0.219CC..SBendtrans-87.3119.2178.6-59173.2000110.4L205 L216 V220 L226 G227 I256 M258L199-L205 HydrophobicContact CB-CD1 4.4Å; L199-L205 HydrophobicContact CD2-CD1 4.39Å; L199-L216 HydrophobicContact CD1-CB 4.08Å; L199-L216 HydrophobicContact CD1-CD2 4.01Å; L199-V220 HydrophobicContact CD1-CG2 4.4Å; L199-L226 HydrophobicContact CB-CD2 3.66Å; L199-G227 PolarHBondContact O-N 2.75Å; L199-I256 HydrophobicContact CD1-CD1 3.76Å; L199-I256 HydrophobicContact CG-CD1 4.37Å; L199-M258 HydrophobicContact CD1-CE 4.39Å; L199-M258 HydrophobicContact CD1-SD 4.45Å; L199-M258 HydrophobicContact CD2-CE 4.13Å; L199-M258 HydrophobicContact CG-SD 4.39Å
200F96.1Very high90.4Very high13 Ų1338.5 Ų38.56%0.05725%0.246CC..BIsolated β-bridgetrans-121.6147.2-179-83.7-104000112.3L21 P197 T202 L205 G227 D228 E231 F232 L252L21-F200 HydrophobicContact CD2-CB 3.97Å; L21-F200 HydrophobicContact CD2-CD1 3.72Å; L21-F200 HydrophobicContact CD2-CE1 4.46Å; L21-F200 HydrophobicContact CD2-CG 3.91Å; P197-F200 HydrophobicContact CB-CD2 3.69Å; P197-F200 HydrophobicContact CB-CE2 3.63Å; F200-T202 HydrophobicContact CB-CG2 4.06Å; F200-T202 PolarHBondContact O-N 3.36Å; F200-L205 VanDerWaalsContact O-CD1 3.31Å; F200-L205 WeakPolarHBondContact O-CD1 3.4Å; F200-G227 CarbonylContact C-O 3.53Å; F200-G227 WeakPolarHBondContact CA-O 3.34Å; F200-G227 WeakPolarHBondContact CD1-O 3.23Å; F200-D228 VanDerWaalsContact CE1-O 3.31Å; F200-D228 WeakPolarHBondContact CE1-O 3.41Å; F200-E231 HydrophobicContact CE1-CB 4.44Å; F200-F232 HydrophobicContact CD1-CB 4.44Å; F200-F232 HydrophobicContact CE1-CB 3.9Å; F200-F232 HydrophobicContact CZ-CB 4.37Å; F200-L252 HydrophobicContact CE1-CD2 4.35Å; F200-L252 HydrophobicContact CE2-CG 4.47Å; F200-L252 WeakPolarHBondContact CE2-O 3.43Å; F200-L252 HydrophobicContact CZ-CD2 3.63Å; F200-L252 HydrophobicContact CZ-CG 3.85Å
201A92.1Very high89.8Confident50 Ų5047.3 Ų47.341%0.41328%0.284SS..  trans-73.274.1176.200000111.3L226 G227 P229A201-L226 HydrophobicContact CB-CB 4.11Å; A201-L226 HydrophobicContact CB-CD1 4.23Å; A201-G227 PolarHBondContact N-O 3.49Å; A201-P229 VanDerWaalsContact O-CG 3.3Å; A201-P229 WeakPolarHBondContact O-CG 3.36Å
202T88.4Confident89.1Confident23 Ų2349.9 Ų49.914%0.14130%0.3CS..SBendtrans-108.5165.3175.1650000110.6L21 F200 L204 L205 A206 P229L21-T202 HydrophobicContact CD2-CG2 3.88Å; L21-T202 HydrophobicContact CG-CG2 3.95Å; F200-T202 HydrophobicContact CB-CG2 4.06Å; F200-T202 PolarHBondContact O-N 3.36Å; T202-L204 PolarHBondContact O-N 3.09Å; T202-L204 WeakPolarHBondContact OG1-CB 3.46Å; T202-L205 PolarHBondContact O-N 3.34Å; T202-A206 PolarHBondContact O-N 3.05Å; T202-P229 HydrophobicContact CG2-CG 4.4Å
203P83.9Confident88.4Confident83 Ų8354.8 Ų54.854%0.53932%0.318SS..Hα-helixtrans-51.3-30.7173.9-30.137.8000113.8L205 A206P203-L205 VanDerWaalsContact C-N 3.33Å; P203-L205 PolarHBondContact O-N 2.94Å; P203-A206 PolarHBondContact O-N 3.01Å
204L76.4Confident87.8Confident115 Ų11557.2 Ų57.260%0.60234%0.335SS*.Hα-helixtrans-56.9-41.2175.5-176.665.3000112.9A94 T202A94-L204 HydrophobicContact CB-CD2 4.39Å; T202-L204 PolarHBondContact O-N 3.09Å; T202-L204 WeakPolarHBondContact OG1-CB 3.46Å
205L79.3Confident87.3Confident28 Ų2863.1 Ų63.115%0.14736%0.361CS..Hα-helixtrans-93.7-18.3177.3-63.9-170000113.2L199 F200 T202 P203 G207 L208 L226L199-L205 HydrophobicContact CB-CD1 4.4Å; L199-L205 HydrophobicContact CD2-CD1 4.39Å; F200-L205 VanDerWaalsContact O-CD1 3.31Å; F200-L205 WeakPolarHBondContact O-CD1 3.4Å; T202-L205 PolarHBondContact O-N 3.34Å; P203-L205 VanDerWaalsContact C-N 3.33Å; P203-L205 PolarHBondContact O-N 2.94Å; L205-G207 PolarHBondContact O-N 3.11Å; L205-L208 HydrophobicContact CD2-CD1 3.76Å; L205-L208 WeakPolarHBondContact O-CB 3.3Å; L205-L208 PolarHBondContact O-N 3.19Å; L205-L226 HydrophobicContact CD1-CD1 4.41Å; L205-L226 HydrophobicContact CD1-CD2 4.09Å
206A75.7Confident86.8Confident63 Ų6364.2 Ų64.252%0.52137%0.367SS..Hα-helixtrans-64.1-28-18000000112.8T202 P203 L208T202-A206 PolarHBondContact O-N 3.05Å; P203-A206 PolarHBondContact O-N 3.01Å; A206-L208 VanDerWaalsContact C-N 3.26Å; A206-L208 PolarHBondContact O-N 2.99Å
207G72.4Confident86.3Confident74 Ų7465.7 Ų65.776%0.76338%0.377SS*.THydrogen-bonded Turntrans-74.5-7.2176.300000115.2L205L205-G207 PolarHBondContact O-N 3.11Å
208L78.3Confident85.9Confident63 Ų6375 Ų7533%0.3341%0.412SS..SBendtrans-79.5146.5179.4-64.4176.3000111.7L205 A206 V212 R213 L216L205-L208 HydrophobicContact CD2-CD1 3.76Å; L205-L208 WeakPolarHBondContact O-CB 3.3Å; L205-L208 PolarHBondContact O-N 3.19Å; A206-L208 VanDerWaalsContact C-N 3.26Å; A206-L208 PolarHBondContact O-N 2.99Å; L208-V212 HydrophobicContact CB-CB 4.42Å; L208-V212 HydrophobicContact CB-CG1 4.37Å; L208-V212 HydrophobicContact CD1-CG1 4.11Å; L208-R213 HydrophobicContact CB-CG 3.96Å; L208-R213 VanDerWaalsContact O-CD 3.3Å; L208-R213 WeakPolarHBondContact O-CD 3.38Å; L208-L216 HydrophobicContact CD1-CD1 3.84Å
209P84.9Confident85.7Confident88 Ų8877 Ų7757%0.57142%0.417SS*.  trans-55.2145.7173.9-24.133.1000112.2K211 V212 R213P209-K211 VanDerWaalsContact C-N 3.28Å; P209-K211 PolarHBondContact O-N 3.3Å; P209-V212 HydrophobicContact CB-CG2 4.23Å; P209-V212 HydrophobicContact CG-CG2 4.3Å; P209-V212 WeakPolarHBondContact O-CA 3.47Å; P209-V212 WeakPolarHBondContact O-CB 3.26Å; P209-V212 PolarHBondContact O-N 3.35Å; P209-R213 PolarHBondContact O-N 2.88Å
210E87.1Confident85.8Confident154 Ų15476 Ų7672%0.7241%0.412SS*.Hα-helixtrans-53-44-176.4-174.2179.5-173.200112.8V212 R213 S214E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 2.89Å; E210-R213 WeakPolarHBondContact O-CB 3.46Å; E210-R213 PolarHBondContact O-N 3.34Å; E210-R213 VanDerWaalsContact O-N 3.07Å; E210-S214 PolarHBondContact O-N 3.38Å; E210-S214 PolarHBondContact O-OG 2.81Å
211K86.4Confident85.9Confident188 Ų18879.1 Ų79.182%0.81743%0.434SS*.Hα-helixtrans-56.3-39.8176.6-69.6-174.5179.2-179.50112.7P209 F215P209-K211 VanDerWaalsContact C-N 3.28Å; P209-K211 PolarHBondContact O-N 3.3Å; K211-F215 WeakPolarHBondContact O-CB 3.36Å; K211-F215 PolarHBondContact O-N 3.22Å
212V84.5Confident86.1Confident60 Ų6084.7 Ų84.736%0.36445%0.449SS..Hα-helixtrans-69.3-43.8177.4-179.30000109.8L208 P209 E210 F215 L216L208-V212 HydrophobicContact CB-CB 4.42Å; L208-V212 HydrophobicContact CB-CG1 4.37Å; L208-V212 HydrophobicContact CD1-CG1 4.11Å; P209-V212 HydrophobicContact CB-CG2 4.23Å; P209-V212 HydrophobicContact CG-CG2 4.3Å; P209-V212 WeakPolarHBondContact O-CA 3.47Å; P209-V212 WeakPolarHBondContact O-CB 3.26Å; P209-V212 PolarHBondContact O-N 3.35Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 2.89Å; V212-F215 PolarHBondContact O-N 3.03Å; V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 VanDerWaalsContact O-CG 3.32Å; V212-L216 WeakPolarHBondContact O-CG 3.29Å; V212-L216 PolarHBondContact O-N 2.74Å
213R85.1Confident86.5Confident102 Ų10285.8 Ų85.839%0.38546%0.456SS..Hα-helixtrans-60.5-46.8176.5-67.3175.757.5-152-4.5112L208 P209 E210 F215 L216 C217L208-R213 HydrophobicContact CB-CG 3.96Å; L208-R213 VanDerWaalsContact O-CD 3.3Å; L208-R213 WeakPolarHBondContact O-CD 3.38Å; P209-R213 PolarHBondContact O-N 2.88Å; E210-R213 WeakPolarHBondContact O-CB 3.46Å; E210-R213 PolarHBondContact O-N 3.34Å; E210-R213 VanDerWaalsContact O-N 3.07Å; R213-F215 VanDerWaalsContact C-N 3.32Å; R213-F215 PolarHBondContact O-N 3.43Å; R213-L216 WeakPolarHBondContact O-CB 3.27Å; R213-L216 PolarHBondContact O-N 2.84Å; R213-C217 PolarHBondContact O-N 2.72Å; R213-C217 PolarHBondContact O-SG 3.07Å
214S86.9Confident87.1Confident51 Ų5185.1 Ų85.136%0.35745%0.454SS..Hα-helixtrans-63.3-38.2177.2-56.40000112.3E210 C217 R218E210-S214 PolarHBondContact O-N 3.38Å; E210-S214 PolarHBondContact O-OG 2.81Å; S214-C217 PolarHBondContact O-N 2.96Å; S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 PolarHBondContact O-N 3.16Å
215F88.1Confident87.9Confident124 Ų12484.4 Ų84.454%0.54444%0.443SS..Hα-helixtrans-63.1-46.3174.4175.5-105.7000111.5K211 V212 R213 C217 R218 Q219K211-F215 WeakPolarHBondContact O-CB 3.36Å; K211-F215 PolarHBondContact O-N 3.22Å; V212-F215 PolarHBondContact O-N 3.03Å; R213-F215 VanDerWaalsContact C-N 3.32Å; R213-F215 PolarHBondContact O-N 3.43Å; F215-C217 PolarHBondContact O-N 2.78Å; F215-R218 PolarHBondContact O-N 2.81Å; F215-R218 VanDerWaalsContact O-N 3.17Å; F215-Q219 PolarHBondContact O-N 2.76Å
216L87.4Confident88.7Confident23 Ų2383.9 Ų83.912%0.1244%0.44CS..Hα-helixtrans-59.2-42.8175.6-73.2175.4000112.3L199 L208 V212 R213 R218 Q219L199-L216 HydrophobicContact CD1-CB 4.08Å; L199-L216 HydrophobicContact CD1-CD2 4.01Å; L208-L216 HydrophobicContact CD1-CD1 3.84Å; V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 VanDerWaalsContact O-CG 3.32Å; V212-L216 WeakPolarHBondContact O-CG 3.29Å; V212-L216 PolarHBondContact O-N 2.74Å; R213-L216 WeakPolarHBondContact O-CB 3.27Å; R213-L216 PolarHBondContact O-N 2.84Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.91Å; L216-Q219 PolarHBondContact O-N 3.12Å
217C88.6Confident89.7Confident32 Ų3281.4 Ų81.422%0.21642%0.421CS..Hα-helixtrans-56.1-42.5175-69.40000112.5R213 S214 F215 Q219 V220 S224R213-C217 PolarHBondContact O-N 2.72Å; R213-C217 PolarHBondContact O-SG 3.07Å; S214-C217 PolarHBondContact O-N 2.96Å; F215-C217 PolarHBondContact O-N 2.78Å; C217-Q219 PolarHBondContact O-N 2.99Å; C217-V220 PolarHBondContact O-N 2.67Å; C217-S224 PolarHBondContact O-OG 3.07Å
218R90.9Very high90.9Very high203 Ų20381.9 Ų81.977%0.76641%0.406SS*.Hα-helixtrans-70.3-18.7-177.8-69.7175.4-174.2-171.41.5113.6S214 F215 L216 V220S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 PolarHBondContact O-N 3.16Å; F215-R218 PolarHBondContact O-N 2.81Å; F215-R218 VanDerWaalsContact O-N 3.17Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.91Å; R218-V220 VanDerWaalsContact C-N 3.27Å
219Q92.8Very high91.9Very high54 Ų5479.8 Ų79.825%0.25240%0.396SS..Hα-helixtrans-75.1-19.9174.4-64.5-165.2000112.5F215 L216 C217 P221 I256F215-Q219 PolarHBondContact O-N 2.76Å; L216-Q219 PolarHBondContact O-N 3.12Å; C217-Q219 PolarHBondContact O-N 2.99Å; Q219-P221 VanDerWaalsContact O-CD 3.28Å; Q219-P221 WeakPolarHBondContact O-CD 3.28Å; Q219-I256 HydrophobicContact CB-CD1 3.78Å
220V96.7Very high92.5Very high6 Ų678.1 Ų78.14%0.03639%0.389CS..SBendtrans-79.3119.9176.6-174.70000108.9L199 C217 R218 P223 S224 I256L199-V220 HydrophobicContact CD1-CG2 4.4Å; C217-V220 PolarHBondContact O-N 2.67Å; R218-V220 VanDerWaalsContact C-N 3.27Å; V220-P223 WeakPolarHBondContact CG1-O 3.37Å; V220-S224 WeakPolarHBondContact O-CA 3.47Å; V220-S224 WeakPolarHBondContact O-CB 3.28Å; V220-S224 PolarHBondContact O-OG 3.28Å; V220-I256 HydrophobicContact CG2-CD1 3.95Å
221P97.7Very high93.1Very high78 Ų7873.9 Ų73.951%0.50637%0.37SS..SBendtrans-58.7-61.8-179.7-27.835000114Q219 G254 A255Q219-P221 VanDerWaalsContact O-CD 3.28Å; Q219-P221 WeakPolarHBondContact O-CD 3.28Å; P221-G254 VanDerWaalsContact CD-O 3.24Å; P221-G254 WeakPolarHBondContact CD-O 3.3Å; P221-A255 HydrophobicContact CB-CB 4.44Å; P221-A255 HydrophobicContact CG-CB 4.32Å
222F96.6Very high93.7Very high167 Ų16765 Ų6573%0.73233%0.331SS*.SBendtrans-160.4133.7177.3-175.2-96.1000111.7G254F222-G254 PolarHBondContact N-O 3.31Å; F222-G254 CarbonylContact O-C 3.34Å; F222-G254 VanDerWaalsContact O-CA 3.24Å; F222-G254 WeakPolarHBondContact O-CA 3.37Å; F222-G254 VanDerWaalsContact O-O 3.13Å
223P96.5Very high94.4Very high45 Ų4562.1 Ų62.129%0.29231%0.314SS..SBendcis-66.1136-7.728.7-35.3000111.5V220 R225V220-P223 WeakPolarHBondContact CG1-O 3.37Å; P223-R225 HydrophobicContact CB-CG 4.24Å; P223-R225 PolarHBondContact O-N 3.11Å
224S95.9Very high95Very high70 Ų7061.8 Ų61.849%0.4932%0.316SS..  trans-79.369.1-173.2-161.60000112.6C217 V220C217-S224 PolarHBondContact O-OG 3.07Å; V220-S224 WeakPolarHBondContact O-CA 3.47Å; V220-S224 WeakPolarHBondContact O-CB 3.28Å; V220-S224 PolarHBondContact O-OG 3.28Å
225R95Very high95.6Very high100 Ų10060.8 Ų60.838%0.37731%0.307SS..SBendtrans-157.7172.117956.6164.1174.377.91.6110P223 E231P223-R225 HydrophobicContact CB-CG 4.24Å; P223-R225 PolarHBondContact O-N 3.11Å; R225-E231 IonicContact CZ-OE1 3.12Å; R225-E231 IonicContact CZ-OE2 2.7Å; R225-E231 IonicContact NH1-OE1 2.74Å; R225-E231 IonicContact NH1-OE2 3.87Å; R225-E231 PolarHBondContact NH1-OE2 3.26Å; R225-E231 IonicContact NH2-OE1 2.86Å; R225-E231 PolarHBondContact NH2-OE1 2.84Å; R225-E231 IonicContact NH2-OE2 2.77Å; R225-E231 PolarHBondContact NH2-OE2 2.68Å
226L95.6Very high96.1Very high17 Ų1754.9 Ų54.99%0.08928%0.281CS..PPolyproline II helixtrans-63.6144.3161.8-57.9179.3000109.9L199 A201 L205L199-L226 HydrophobicContact CB-CD2 3.66Å; A201-L226 HydrophobicContact CB-CB 4.11Å; A201-L226 HydrophobicContact CB-CD1 4.23Å; L205-L226 HydrophobicContact CD1-CD1 4.41Å; L205-L226 HydrophobicContact CD1-CD2 4.09Å
227G97.3Very high96.6Very high10 Ų1053.8 Ų53.810%0.10328%0.275CS..BIsolated β-bridgetrans-60.4140.3167.800000110.8L199 F200 A201 E231L199-G227 PolarHBondContact O-N 2.75Å; F200-G227 CarbonylContact C-O 3.53Å; F200-G227 WeakPolarHBondContact CA-O 3.34Å; F200-G227 WeakPolarHBondContact CD1-O 3.23Å; A201-G227 PolarHBondContact N-O 3.49Å; G227-E231 WeakPolarHBondContact CA-OE2 3.44Å
228D97.3Very high97.1Very high85 Ų8554.1 Ų54.146%0.45528%0.278SS..PPolyproline II helixtrans-82.6130.6170.7-172.6-45.6000108.2F200 A230 E231F200-D228 VanDerWaalsContact CE1-O 3.31Å; F200-D228 WeakPolarHBondContact CE1-O 3.41Å; D228-A230 PolarHBondContact O-N 3.13Å; D228-A230 VanDerWaalsContact OD1-CB 3.32Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 2.92Å; D228-E231 HydrophobicContact CB-CG 4.14Å; D228-E231 PolarHBondContact N-OE2 3.47Å; D228-E231 VanDerWaalsContact O-CB 3.31Å; D228-E231 WeakPolarHBondContact O-CB 3.48Å; D228-E231 PolarHBondContact O-N 3.46Å
229P98.4Very high97.5Very high18 Ų1844.4 Ų44.412%0.11724%0.241CC..Hα-helixtrans-47.9-29.5174.1-30.937.9000115L21 A24 A201 T202 E231 F232 A233L21-P229 HydrophobicContact CD2-CB 4.14Å; L21-P229 HydrophobicContact CD2-CG 4.4Å; A24-P229 VanDerWaalsContact CB-C 3.49Å; A24-P229 HydrophobicContact CB-CB 3.48Å; A24-P229 VanDerWaalsContact CB-CB 3.48Å; A24-P229 WeakPolarHBondContact CB-O 3.37Å; A201-P229 VanDerWaalsContact O-CG 3.3Å; A201-P229 WeakPolarHBondContact O-CG 3.36Å; T202-P229 HydrophobicContact CG2-CG 4.4Å; P229-E231 VanDerWaalsContact C-N 3.27Å; P229-E231 PolarHBondContact O-N 2.79Å; P229-F232 WeakPolarHBondContact O-CB 3.39Å; P229-F232 PolarHBondContact O-N 3.36Å; P229-A233 PolarHBondContact O-N 3.31Å
230A98.4Very high97.7Very high53 Ų5342 Ų4244%0.43823%0.23SC..Hα-helixtrans-64.6-27.9174.600000113.4D228 A233 H234D228-A230 PolarHBondContact O-N 3.13Å; D228-A230 VanDerWaalsContact OD1-CB 3.32Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 2.92Å; A230-A233 PolarHBondContact O-N 3.07Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 2.95Å
231E98.8Very high97.7Very high66 Ų6644.2 Ų44.231%0.30824%0.24SC..Hα-helixtrans-71.4-38.4174.9-62.2174.4121.400111.4F200 R225 G227 D228 P229 H234 L235F200-E231 HydrophobicContact CE1-CB 4.44Å; R225-E231 IonicContact CZ-OE1 3.12Å; R225-E231 IonicContact CZ-OE2 2.7Å; R225-E231 IonicContact NH1-OE1 2.74Å; R225-E231 IonicContact NH1-OE2 3.87Å; R225-E231 PolarHBondContact NH1-OE2 3.26Å; R225-E231 IonicContact NH2-OE1 2.86Å; R225-E231 PolarHBondContact NH2-OE1 2.84Å; R225-E231 IonicContact NH2-OE2 2.77Å; R225-E231 PolarHBondContact NH2-OE2 2.68Å; G227-E231 WeakPolarHBondContact CA-OE2 3.44Å; D228-E231 HydrophobicContact CB-CG 4.14Å; D228-E231 PolarHBondContact N-OE2 3.47Å; D228-E231 VanDerWaalsContact O-CB 3.31Å; D228-E231 WeakPolarHBondContact O-CB 3.48Å; D228-E231 PolarHBondContact O-N 3.46Å; P229-E231 VanDerWaalsContact C-N 3.27Å; P229-E231 PolarHBondContact O-N 2.79Å; E231-H234 WeakPolarHBondContact O-CB 3.44Å; E231-H234 PolarHBondContact O-N 2.92Å; E231-L235 PolarHBondContact O-N 3.23Å; E231-L235 VanDerWaalsContact O-N 3.09Å
232F98.9Very high97.7Very high0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-63.5-48.7171.2176.2-87.7000110.6L21 T152 I195 P197 F200 P229 H234 L235 V236 L252L21-F232 HydrophobicContact CB-CD1 3.74Å; L21-F232 HydrophobicContact CB-CE1 3.96Å; L21-F232 HydrophobicContact CB-CG 4.17Å; L21-F232 HydrophobicContact CD1-CD1 4.47Å; L21-F232 HydrophobicContact CD1-CD2 4.04Å; L21-F232 HydrophobicContact CD1-CE2 4.19Å; L21-F232 HydrophobicContact CD1-CG 4.19Å; L21-F232 HydrophobicContact CD1-CZ 4.48Å; L21-F232 HydrophobicContact CD2-CB 3.86Å; L21-F232 HydrophobicContact CD2-CD1 4.38Å; L21-F232 HydrophobicContact CD2-CG 4.02Å; L21-F232 HydrophobicContact CG-CD1 4.41Å; L21-F232 HydrophobicContact CG-CG 4.34Å; T152-F232 HydrophobicContact CG2-CE2 4.02Å; T152-F232 HydrophobicContact CG2-CZ 4.09Å; T152-F232 WeakPolarHBondContact OG1-CZ 3.43Å; I195-F232 HydrophobicContact CB-CE2 3.82Å; I195-F232 HydrophobicContact CD1-CE2 4.04Å; I195-F232 HydrophobicContact CD1-CZ 4.25Å; I195-F232 HydrophobicContact CG2-CD2 3.85Å; I195-F232 HydrophobicContact CG2-CE2 3.56Å; P197-F232 HydrophobicContact CG-CD2 3.79Å; P197-F232 HydrophobicContact CG-CE2 3.69Å; F200-F232 HydrophobicContact CD1-CB 4.44Å; F200-F232 HydrophobicContact CE1-CB 3.9Å; F200-F232 HydrophobicContact CZ-CB 4.37Å; P229-F232 WeakPolarHBondContact O-CB 3.39Å; P229-F232 PolarHBondContact O-N 3.36Å; F232-H234 PolarHBondContact O-N 3.28Å; F232-L235 PolarHBondContact O-N 3.3Å; F232-L235 VanDerWaalsContact O-N 3.11Å; F232-V236 HydrophobicContact CD1-CG2 3.87Å; F232-V236 HydrophobicContact CE1-CG2 3.43Å; F232-V236 VanDerWaalsContact CE1-CG2 3.43Å; F232-V236 HydrophobicContact CZ-CG2 3.86Å; F232-V236 WeakPolarHBondContact O-CG2 3.26Å; F232-V236 PolarHBondContact O-N 3.33Å; F232-L252 HydrophobicContact CB-CD2 4.24Å; F232-L252 HydrophobicContact CD2-CD2 4.49Å
233A98.8Very high97.6Very high0 Ų036.3 Ų36.30%020%0.202CC..Hα-helixtrans-57.1-39.8176.500000111.8A24 R28 P229 A230 V236 T237A24-A233 VanDerWaalsContact C-CB 3.49Å; A24-A233 HydrophobicContact CB-CB 4.14Å; A24-A233 VanDerWaalsContact O-CB 3.32Å; A24-A233 WeakPolarHBondContact O-CB 3.49Å; R28-A233 HydrophobicContact CB-CB 3.92Å; R28-A233 VanDerWaalsContact CD-O 3.31Å; R28-A233 WeakPolarHBondContact CD-O 3.37Å; P229-A233 PolarHBondContact O-N 3.31Å; A230-A233 PolarHBondContact O-N 3.07Å; A233-V236 WeakPolarHBondContact O-CB 3.17Å; A233-V236 PolarHBondContact O-N 3.43Å; A233-T237 PolarHBondContact O-N 3.43Å; A233-T237 PolarHBondContact O-OG1 3.29Å
234H98.8Very high97.6Very high95 Ų9541.9 Ų41.944%0.4423%0.227SC..Hα-helixtrans-58.8-51.1174.4179.5-125.4000111.7R28 A230 E231 F232 V236 T237 S238R28-H234 PolarHBondContact NH2-CD2 2.98Å; R28-H234 VanDerWaalsContact NH2-CD2 3.31Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 2.95Å; E231-H234 WeakPolarHBondContact O-CB 3.44Å; E231-H234 PolarHBondContact O-N 2.92Å; F232-H234 PolarHBondContact O-N 3.28Å; H234-V236 VanDerWaalsContact C-N 3.32Å; H234-V236 PolarHBondContact O-N 2.83Å; H234-T237 PolarHBondContact O-N 3.35Å; H234-T237 VanDerWaalsContact O-N 3.12Å; H234-T237 PolarHBondContact O-OG1 3.47Å; H234-S238 PolarHBondContact O-N 3.5Å; H234-S238 PolarHBondContact O-OG 3.5Å; H234-S238 VanDerWaalsContact O-OG 3.05Å
235L98.9Very high97.7Very high30 Ų3040.7 Ų40.716%0.15721%0.214CC..Hα-helixtrans-59.8-41.4177.5-178.860000112.1I195 E231 F232 T237 S238 V239 I250 L252I195-L235 HydrophobicContact CB-CD2 4.48Å; I195-L235 HydrophobicContact CD1-CB 4.25Å; I195-L235 HydrophobicContact CD1-CD2 3.87Å; I195-L235 HydrophobicContact CD1-CG 3.78Å; I195-L235 HydrophobicContact CG1-CD2 3.9Å; I195-L235 HydrophobicContact CG1-CG 4.23Å; I195-L235 HydrophobicContact CG2-CD2 3.77Å; E231-L235 PolarHBondContact O-N 3.23Å; E231-L235 VanDerWaalsContact O-N 3.09Å; F232-L235 PolarHBondContact O-N 3.3Å; F232-L235 VanDerWaalsContact O-N 3.11Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 3.5Å; L235-S238 PolarHBondContact O-N 3.3Å; L235-V239 HydrophobicContact CD1-CG2 4.09Å; L235-V239 HydrophobicContact CG-CG2 4.39Å; L235-V239 WeakPolarHBondContact O-CB 3.42Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.42Å; L235-I250 HydrophobicContact CD1-CD1 4.4Å; L235-I250 HydrophobicContact CD1-CG2 4.47Å; L235-I250 HydrophobicContact CD2-CB 4.4Å; L235-I250 HydrophobicContact CD2-CG2 3.9Å; L235-L252 HydrophobicContact CB-CD2 4.21Å; L235-L252 HydrophobicContact CD2-CB 3.93Å; L235-L252 HydrophobicContact CD2-CD1 4.32Å; L235-L252 HydrophobicContact CD2-CD2 3.92Å; L235-L252 HydrophobicContact CD2-CG 4.27Å
236V98.9Very high97.9Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-53.8-49.9174.21710000110.6T25 L86 V88 I150 I195 F232 A233 H234 V239 A240T25-V236 HydrophobicContact CG2-CB 4.3Å; T25-V236 HydrophobicContact CG2-CG1 3.73Å; T25-V236 HydrophobicContact CG2-CG2 4.45Å; L86-V236 HydrophobicContact CD2-CG1 4.47Å; V88-V236 HydrophobicContact CG1-CG1 4.18Å; V88-V236 HydrophobicContact CG1-CG2 4.21Å; V88-V236 HydrophobicContact CG2-CG1 3.78Å; I150-V236 HydrophobicContact CD1-CB 4.44Å; I150-V236 HydrophobicContact CD1-CG1 3.83Å; I150-V236 VanDerWaalsContact CD1-O 3.25Å; I150-V236 WeakPolarHBondContact CD1-O 3.11Å; I150-V236 HydrophobicContact CG2-CG2 4.28Å; I195-V236 HydrophobicContact CD1-CG2 3.71Å; F232-V236 HydrophobicContact CD1-CG2 3.87Å; F232-V236 HydrophobicContact CE1-CG2 3.43Å; F232-V236 VanDerWaalsContact CE1-CG2 3.43Å; F232-V236 HydrophobicContact CZ-CG2 3.86Å; F232-V236 WeakPolarHBondContact O-CG2 3.26Å; F232-V236 PolarHBondContact O-N 3.33Å; A233-V236 WeakPolarHBondContact O-CB 3.17Å; A233-V236 PolarHBondContact O-N 3.43Å; H234-V236 VanDerWaalsContact C-N 3.32Å; H234-V236 PolarHBondContact O-N 2.83Å; V236-V239 PolarHBondContact O-N 2.82Å; V236-A240 PolarHBondContact O-N 3.37Å
237T98.6Very high98.1Very high0 Ų039 Ų390%022%0.216CC..Hα-helixtrans-67.2-40.3179.655.20000113L7 R28 L29 A233 H234 L235 V239 A240 E241L7-T237 HydrophobicContact CD1-CG2 3.61Å; L7-T237 HydrophobicContact CD2-CG2 4.15Å; R28-T237 HydrophobicContact CG-CG2 4.05Å; R28-T237 PolarHBondContact NE-OG1 3.42Å; L29-T237 HydrophobicContact CD2-CG2 4.22Å; A233-T237 PolarHBondContact O-N 3.43Å; A233-T237 PolarHBondContact O-OG1 3.29Å; H234-T237 PolarHBondContact O-N 3.35Å; H234-T237 VanDerWaalsContact O-N 3.12Å; H234-T237 PolarHBondContact O-OG1 3.47Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 3.5Å; T237-V239 VanDerWaalsContact C-N 3.27Å; T237-V239 PolarHBondContact O-N 3.23Å; T237-A240 WeakPolarHBondContact O-CB 3.41Å; T237-A240 PolarHBondContact O-N 3.19Å; T237-A240 VanDerWaalsContact O-N 3.09Å; T237-E241 WeakPolarHBondContact O-CG 3.47Å; T237-E241 PolarHBondContact O-N 3.07Å
238S98.5Very high98.1Very high39 Ų3943.7 Ų43.727%0.27324%0.236SC..Hα-helixtrans-61.4-36.9176.9-54.80000112H234 L235 N242H234-S238 PolarHBondContact O-N 3.5Å; H234-S238 PolarHBondContact O-OG 3.5Å; H234-S238 VanDerWaalsContact O-OG 3.05Å; L235-S238 PolarHBondContact O-N 3.3Å; S238-N242 VanDerWaalsContact O-CB 3.29Å; S238-N242 WeakPolarHBondContact O-CB 3.35Å; S238-N242 PolarHBondContact O-N 3.49Å
239V98.4Very high98.2Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-70.1-36.5174.6170.90000112I150 R191 V193 L235 V236 T237 I245 I250I150-V239 HydrophobicContact CD1-CB 3.87Å; I150-V239 HydrophobicContact CD1-CG1 3.65Å; I150-V239 HydrophobicContact CG1-CG1 4Å; R191-V239 PolarHBondContact NH1-O 2.88Å; R191-V239 PolarHBondContact NH2-O 3.22Å; V193-V239 HydrophobicContact CB-CG1 3.77Å; V193-V239 HydrophobicContact CG1-CG1 3.78Å; V193-V239 HydrophobicContact CG1-CG2 4.45Å; V193-V239 HydrophobicContact CG2-CG1 3.73Å; L235-V239 HydrophobicContact CD1-CG2 4.09Å; L235-V239 HydrophobicContact CG-CG2 4.39Å; L235-V239 WeakPolarHBondContact O-CB 3.42Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.42Å; V236-V239 PolarHBondContact O-N 2.82Å; T237-V239 VanDerWaalsContact C-N 3.27Å; T237-V239 PolarHBondContact O-N 3.23Å; V239-I245 HydrophobicContact CG1-CG2 4.25Å; V239-I245 HydrophobicContact CG2-CD1 4.15Å; V239-I245 HydrophobicContact CG2-CG2 4.4Å; V239-I250 HydrophobicContact CG2-CD1 3.91Å
240A97.9Very high98.2Very high2 Ų242.2 Ų42.22%0.01723%0.227CC..Hα-helixtrans-66.1-39.2175.800000111.8L7 L86 R191 V236 T237L7-A240 HydrophobicContact CD2-CB 4.14Å; L86-A240 HydrophobicContact CD1-CB 4.3Å; L86-A240 HydrophobicContact CD2-CB 4.3Å; R191-A240 PolarHBondContact NH2-O 3.42Å; V236-A240 PolarHBondContact O-N 3.37Å; T237-A240 WeakPolarHBondContact O-CB 3.41Å; T237-A240 PolarHBondContact O-N 3.19Å; T237-A240 VanDerWaalsContact O-N 3.09Å
241E97Very high98.3Very high53 Ų5342.6 Ų42.625%0.24822%0.217CC..Hα-helixtrans-76.8-33.6-178.7-66.9-179.6134.200113.4I4 R5 L7 T237 P243I4-E241 HydrophobicContact CG2-CB 4Å; R5-E241 PolarHBondContact N-O 3.38Å; R5-E241 WeakPolarHBondContact O-CB 3.46Å; R5-E241 VanDerWaalsContact O-CG 3.29Å; R5-E241 WeakPolarHBondContact O-CG 3.44Å; L7-E241 HydrophobicContact CD1-CG 4.46Å; L7-E241 HydrophobicContact CD2-CG 3.96Å; L7-E241 HydrophobicContact CG-CG 3.85Å; L7-E241 WeakPolarHBondContact CG-OE1 3.37Å; T237-E241 WeakPolarHBondContact O-CG 3.47Å; T237-E241 PolarHBondContact O-N 3.07Å; E241-P243 VanDerWaalsContact O-CD 3.28Å; E241-P243 WeakPolarHBondContact O-CD 3.43Å
242N96.8Very high98.3Very high59 Ų5941.7 Ų41.732%0.31621%0.214SC..  trans-87.6108.8-178.8-169.9-29.5000111.6R191 S238 M244 I245R191-N242 PolarHBondContact NH1-O 3.03Å; S238-N242 VanDerWaalsContact O-CB 3.29Å; S238-N242 WeakPolarHBondContact O-CB 3.35Å; S238-N242 PolarHBondContact O-N 3.49Å; N242-M244 VanDerWaalsContact C-N 3.26Å; N242-M244 PolarHBondContact O-N 3.44Å; N242-M244 PolarHBondContact OD1-N 3.38Å; N242-M244 VanDerWaalsContact OD1-N 3.07Å; N242-I245 HydrophobicContact CB-CD1 3.94Å; N242-I245 HydrophobicContact CB-CG1 4.13Å
243P95.2Very high98.2Very high20 Ų2042.7 Ų42.713%0.1322%0.22CC..THydrogen-bonded Turntrans-69.7-19.7-175.128.6-34.9000113.8R191 E241R191-P243 WeakPolarHBondContact CD-O 3.5Å; E241-P243 VanDerWaalsContact O-CD 3.28Å; E241-P243 WeakPolarHBondContact O-CD 3.43Å
244M96.6Very high98.2Very high163 Ų16343.8 Ų43.880%0.80323%0.231SC*.THydrogen-bonded Turntrans-81-14.8-176-75.5-61.3-59.300114.1N242 N246N242-M244 VanDerWaalsContact C-N 3.26Å; N242-M244 PolarHBondContact O-N 3.44Å; N242-M244 PolarHBondContact OD1-N 3.38Å; N242-M244 VanDerWaalsContact OD1-N 3.07Å; M244-N246 PolarHBondContact O-N 3.21Å
245I98.3Very high98.2Very high44 Ų4442.2 Ų42.223%0.22624%0.235CC..  trans-82.6108.6-179.3-54.3178.9000108.7R191 V193 V239 N242 I250R191-I245 PolarHBondContact NH1-O 3.03Å; V193-I245 HydrophobicContact CG1-CG2 3.89Å; V193-I245 HydrophobicContact CG2-CG2 3.87Å; V193-I245 VanDerWaalsContact CG2-O 3.27Å; V193-I245 WeakPolarHBondContact CG2-O 3.23Å; V239-I245 HydrophobicContact CG1-CG2 4.25Å; V239-I245 HydrophobicContact CG2-CD1 4.15Å; V239-I245 HydrophobicContact CG2-CG2 4.4Å; N242-I245 HydrophobicContact CB-CD1 3.94Å; N242-I245 HydrophobicContact CB-CG1 4.13Å; I245-I250 HydrophobicContact CG2-CD1 4.09Å
246N98.8Very high98.1Very high65 Ų6540.9 Ų40.935%0.34823%0.227SC..  trans-151.4145178.9-165.922000111.2R191 V192 M244 E248R191-N246 VanDerWaalsContact CA-OD1 3.3Å; R191-N246 WeakPolarHBondContact CA-OD1 3.5Å; R191-N246 HydrophobicContact CB-CB 4.39Å; R191-N246 WeakPolarHBondContact CB-OD1 3.46Å; R191-N246 HydrophobicContact CG-CB 4.21Å; V192-N246 PolarHBondContact N-OD1 3.02Å; V192-N246 PolarHBondContact O-OD1 3.28Å; M244-N246 PolarHBondContact O-N 3.21Å; N246-E248 VanDerWaalsContact C-N 3.26Å; N246-E248 PolarHBondContact O-N 3.41Å
247G98.8Very high98.1Very high16 Ų1647.1 Ų47.117%0.16525%0.251CS..SBendtrans68.716.6174.600000115.5V192V192-G247 WeakPolarHBondContact O-CA 3.39Å; V192-G247 PolarHBondContact O-N 3.09Å
248E98.9Very high97.9Very high109 Ų10948 Ų4851%0.50926%0.255SS..  trans-118.1157.2-170-17550.1-118.400112.7T194 N246 I250T194-E248 PolarHBondContact N-O 2.95Å; N246-E248 VanDerWaalsContact C-N 3.26Å; N246-E248 PolarHBondContact O-N 3.41Å; E248-I250 HydrophobicContact CG-CG1 4.48Å
249V98.9Very high97.6Very high27 Ų2752 Ų5216%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-115.1113.3172.9-171.90000111.4F158 V175 T194 A196F158-V249 HydrophobicContact CE2-CG1 4.33Å; F158-V249 HydrophobicContact CZ-CG1 3.94Å; V175-V249 HydrophobicContact CB-CG2 4.44Å; V175-V249 HydrophobicContact CG1-CG2 4.07Å; V175-V249 HydrophobicContact CG2-CG1 4.16Å; V175-V249 HydrophobicContact CG2-CG2 4.24Å; T194-V249 HydrophobicContact CG2-CG1 4Å; T194-V249 HydrophobicContact CG2-CG2 4.38Å; T194-V249 CarbonylContact O-C 3.56Å; T194-V249 VanDerWaalsContact O-CA 3.27Å; T194-V249 WeakPolarHBondContact O-CA 3.31Å; A196-V249 HydrophobicContact CB-CG1 3.9Å
250I98.9Very high97.1Very high45 Ų4558.2 Ų58.223%0.23131%0.31CS..EExtended strand (participates in β ladder)trans-97.6116-178.1-55.4171.7000109.8V193 T194 I195 A196 L235 V239 I245 E248V193-I250 HydrophobicContact CG1-CD1 4.35Å; T194-I250 PolarHBondContact O-N 3.27Å; I195-I250 CarbonylContact C-O 3.54Å; I195-I250 WeakPolarHBondContact CA-O 3.24Å; A196-I250 PolarHBondContact N-O 3.22Å; L235-I250 HydrophobicContact CD1-CD1 4.4Å; L235-I250 HydrophobicContact CD1-CG2 4.47Å; L235-I250 HydrophobicContact CD2-CB 4.4Å; L235-I250 HydrophobicContact CD2-CG2 3.9Å; V239-I250 HydrophobicContact CG2-CD1 3.91Å; I245-I250 HydrophobicContact CG2-CD1 4.09Å; E248-I250 HydrophobicContact CG-CG1 4.48Å
251R98.9Very high97.1Very high61 Ų6161.1 Ų61.123%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-71.6129.8168.5-67.3-17667.4123.8-1.9110F158 D159 A196 D253 I256F158-R251 HydrophobicContact CE2-CG 4.2Å; D159-R251 IonicContact OD1-NH1 2.66Å; D159-R251 IonicContact OD2-CZ 3.68Å; D159-R251 VanDerWaalsContact OD2-CZ 3.3Å; D159-R251 IonicContact OD2-NH1 3.15Å; D159-R251 PolarHBondContact OD2-NH1 3.47Å; D159-R251 IonicContact OD2-NH2 3.17Å; D159-R251 PolarHBondContact OD2-NH2 3.48Å; A196-R251 HydrophobicContact CB-CG 4.31Å; A196-R251 WeakPolarHBondContact O-CA 3.28Å; R251-D253 IonicContact CZ-OD2 2.72Å; R251-D253 IonicContact NE-OD2 3.71Å; R251-D253 PolarHBondContact NE-OD2 3.22Å; R251-D253 IonicContact NH2-OD2 2.96Å; R251-D253 PolarHBondContact NH2-OD2 3.36Å; R251-I256 PolarHBondContact NH2-O 3.2Å
252L98.8Very high97.1Very high47 Ų4761.5 Ų61.525%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-126.488.9173.9-178.467.6000108I195 A196 P197 G198 F200 F232 L235I195-L252 HydrophobicContact CG2-CB 4.18Å; A196-L252 PolarHBondContact O-N 3.45Å; P197-L252 WeakPolarHBondContact CA-O 3.48Å; G198-L252 PolarHBondContact N-O 3.24Å; F200-L252 HydrophobicContact CE1-CD2 4.35Å; F200-L252 HydrophobicContact CE2-CG 4.47Å; F200-L252 WeakPolarHBondContact CE2-O 3.43Å; F200-L252 HydrophobicContact CZ-CD2 3.63Å; F200-L252 HydrophobicContact CZ-CG 3.85Å; F232-L252 HydrophobicContact CB-CD2 4.24Å; F232-L252 HydrophobicContact CD2-CD2 4.49Å; L235-L252 HydrophobicContact CB-CD2 4.21Å; L235-L252 HydrophobicContact CD2-CB 3.93Å; L235-L252 HydrophobicContact CD2-CD1 4.32Å; L235-L252 HydrophobicContact CD2-CD2 3.92Å; L235-L252 HydrophobicContact CD2-CG 4.27Å
253D98.4Very high97.1Very high22 Ų2261.6 Ų61.612%0.11833%0.33CS..SBendtrans-150.66.9-15972-2.2000115.9V155 R251 A255 I256 R257V155-D253 HydrophobicContact CG1-CB 3.61Å; V155-D253 WeakPolarHBondContact CG1-OD2 3.46Å; R251-D253 IonicContact CZ-OD2 2.72Å; R251-D253 IonicContact NE-OD2 3.71Å; R251-D253 PolarHBondContact NE-OD2 3.22Å; R251-D253 IonicContact NH2-OD2 2.96Å; R251-D253 PolarHBondContact NH2-OD2 3.36Å; D253-A255 PolarHBondContact O-N 2.91Å; D253-A255 WeakPolarHBondContact OD1-CA 3.49Å; D253-A255 PolarHBondContact OD1-N 2.82Å; D253-I256 HydrophobicContact CB-CG2 3.79Å; D253-I256 VanDerWaalsContact O-CG2 3.23Å; D253-I256 WeakPolarHBondContact O-CG2 3.19Å; D253-I256 PolarHBondContact O-N 3.38Å; D253-R257 IonicContact OD2-NH1 3.53Å; D253-R257 PolarHBondContact OD2-NH1 3.49Å
254G98.3Very high97.2Very high22 Ų2264.1 Ų64.123%0.22734%0.341CS..THydrogen-bonded Turntrans60.927.5-177.900000113.7P221 F222 I256P221-G254 VanDerWaalsContact CD-O 3.24Å; P221-G254 WeakPolarHBondContact CD-O 3.3Å; F222-G254 PolarHBondContact N-O 3.31Å; F222-G254 CarbonylContact O-C 3.34Å; F222-G254 VanDerWaalsContact O-CA 3.24Å; F222-G254 WeakPolarHBondContact O-CA 3.37Å; F222-G254 VanDerWaalsContact O-O 3.13Å; G254-I256 VanDerWaalsContact C-N 3.3Å; G254-I256 PolarHBondContact O-N 3.09Å
255A98.4Very high97.3Very high63 Ų6357.9 Ų57.952%0.52131%0.312SS..THydrogen-bonded Turntrans68.714.6-177.300000115.8P221 D253P221-A255 HydrophobicContact CB-CB 4.44Å; P221-A255 HydrophobicContact CG-CB 4.32Å; D253-A255 PolarHBondContact O-N 2.91Å; D253-A255 WeakPolarHBondContact OD1-CA 3.49Å; D253-A255 PolarHBondContact OD1-N 2.82Å
256I97.9Very high97.2Very high1 Ų158.8 Ų58.81%0.00532%0.318CS..  trans-63.3144.9178.1-165.3167.2000112.1L199 Q219 V220 R251 D253 G254 M258L199-I256 HydrophobicContact CD1-CD1 3.76Å; L199-I256 HydrophobicContact CG-CD1 4.37Å; Q219-I256 HydrophobicContact CB-CD1 3.78Å; V220-I256 HydrophobicContact CG2-CD1 3.95Å; R251-I256 PolarHBondContact NH2-O 3.2Å; D253-I256 HydrophobicContact CB-CG2 3.79Å; D253-I256 VanDerWaalsContact O-CG2 3.23Å; D253-I256 WeakPolarHBondContact O-CG2 3.19Å; D253-I256 PolarHBondContact O-N 3.38Å; G254-I256 VanDerWaalsContact C-N 3.3Å; G254-I256 PolarHBondContact O-N 3.09Å; I256-M258 HydrophobicContact CD1-SD 3.54Å; I256-M258 VanDerWaalsContact CD1-SD 3.54Å; I256-M258 HydrophobicContact CG1-SD 3.95Å; I256-M258 HydrophobicContact CG2-SD 4.37Å
257R97.8Very high97.1Very high132 Ų13258.4 Ų58.450%0.49832%0.316SS..  trans-126.9113.7163.5-65.3-63.6179.4-85.1-0.7107.9D159 D253 Q259D159-R257 VanDerWaalsContact OD2-CD 3.28Å; D159-R257 WeakPolarHBondContact OD2-CD 3.49Å; D253-R257 IonicContact OD2-NH1 3.53Å; D253-R257 PolarHBondContact OD2-NH1 3.49Å; R257-Q259 PolarHBondContact O-N 2.93Å; R257-Q259 PolarHBondContact O-NE2 3.36Å
258M94.3Very high97Very high19 Ų1961.6 Ų61.69%0.09433%0.328CS..  trans-66.7130.3-170.9-56.1-61.8-63.700110.3V155 D159 Q161 L199 I256V155-M258 HydrophobicContact CG2-CG 3.95Å; V155-M258 HydrophobicContact CG2-SD 4.39Å; D159-M258 HydrophobicContact CB-CB 3.82Å; D159-M258 HydrophobicContact CB-CG 4.13Å; D159-M258 WeakPolarHBondContact O-CB 3.45Å; Q161-M258 HydrophobicContact CG-CB 3.76Å; Q161-M258 HydrophobicContact CG-CE 4.24Å; L199-M258 HydrophobicContact CD1-CE 4.39Å; L199-M258 HydrophobicContact CD1-SD 4.45Å; L199-M258 HydrophobicContact CD2-CE 4.13Å; L199-M258 HydrophobicContact CG-SD 4.39Å; I256-M258 HydrophobicContact CD1-SD 3.54Å; I256-M258 VanDerWaalsContact CD1-SD 3.54Å; I256-M258 HydrophobicContact CG1-SD 3.95Å; I256-M258 HydrophobicContact CG2-SD 4.37Å
259Q92.3Very high96.8Very high123 Ų12357.7 Ų57.758%0.57531%0.313SS*.  trans-84.1158.3175.1-59.4-58.2-59.900110.5Q161 R257Q161-Q259 WeakPolarHBondContact CG-O 3.45Å; Q161-Q259 PolarHBondContact NE2-O 3.14Å; R257-Q259 PolarHBondContact O-N 2.93Å; R257-Q259 PolarHBondContact O-NE2 3.36Å
260P88.8Confident96.6Very high130 Ų13060.5 Ų60.584%0.84433%0.326SS*.  trans-51.30179.3-28.836.5000115.4V162V162-P260 WeakPolarHBondContact CB-OXT 3.42Å; V162-P260 HydrophobicContact CG2-CB 4.28Å; V162-P260 VanDerWaalsContact CG2-OXT 3.23Å; V162-P260 WeakPolarHBondContact CG2-OXT 3.4Å; V162-P260 PolarHBondContact N-OXT 2.81Å

Retrieved 260 of 260 residues in 368.1 ms (Link to these results)

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