A0A077ZEX4_TRITR Loading...

Sigma non-opioid intracellular receptor 1

AlphaFold DB , UniProt , Accession A0A077ZEX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M82.8Confident90.7Very high82 Ų8261.5 Ų61.540%0.40435%0.346SS..  0-53.30-168.6173.1-79.400112E3 K4 Y5 I17 D20 L21 F142M1-E3 PolarHBondContact O-N 2.91Å; M1-K4 WeakPolarHBondContact O-CB 3.47Å; M1-K4 PolarHBondContact O-N 3.45Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-Y5 HydrophobicContact CG-CD2 4.35Å; M1-Y5 HydrophobicContact CG-CE2 4.23Å; M1-I17 HydrophobicContact SD-CG2 4.31Å; M1-D20 HydrophobicContact CE-CB 3.42Å; M1-D20 VanDerWaalsContact CE-CB 3.42Å; M1-D20 HydrophobicContact SD-CB 4.09Å; M1-L21 HydrophobicContact CE-CD2 3.79Å; M1-L21 HydrophobicContact CE-CG 3.94Å; M1-L21 HydrophobicContact SD-CD1 4.16Å; M1-L21 HydrophobicContact SD-CD2 3.66Å; M1-L21 HydrophobicContact SD-CG 3.5Å; M1-L21 WeakPolarHBondContact SD-CG 3.36Å; M1-F142 HydrophobicContact CB-CE1 4.19Å; M1-F142 HydrophobicContact CB-CZ 4.43Å; M1-F142 HydrophobicContact SD-CZ 4.42Å
2G81.7Confident90.8Very high0 Ų065.3 Ų65.30%036%0.359CS..G310 helixtrans-53.1-36.7178.900000114.8K4 Y5 A6G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 2.84Å; G2-Y5 CarbonylContact O-C 3.52Å; G2-Y5 PolarHBondContact O-N 3.39Å; G2-Y5 VanDerWaalsContact O-N 3.13Å; G2-A6 PolarHBondContact O-N 2.62Å; G2-A6 VanDerWaalsContact O-N 3.07Å
3E91.2Very high90.9Very high122 Ų12260.3 Ų60.357%0.5733%0.332SS*.G310 helixtrans-58.6-37.2178.3-56.6-178.3157.200113.2M1 Y5 A6 T100 H122M1-E3 PolarHBondContact O-N 2.91Å; E3-Y5 PolarHBondContact O-N 3.44Å; E3-A6 PolarHBondContact O-N 2.74Å; E3-T100 HydrophobicContact CG-CG2 4.45Å; E3-H122 VanDerWaalsContact CD-NE2 3.26Å; E3-H122 VanDerWaalsContact CG-CE1 3.46Å; E3-H122 WeakPolarHBondContact CG-CE1 3.46Å; E3-H122 WeakPolarHBondContact CG-NE2 3.35Å; E3-H122 IonicContact OE1-CD2 2.68Å; E3-H122 PolarHBondContact OE1-CD2 3.06Å; E3-H122 IonicContact OE1-CE1 3.47Å; E3-H122 IonicContact OE1-NE2 2.74Å; E3-H122 PolarHBondContact OE1-NE2 2.55Å
4K93.6Very high91Very high123 Ų12356.1 Ų56.154%0.53531%0.309SS..G310 helixtrans-64.2-29.2-178.8179.7-177.5168.8-170.10111.9M1 G2 Q8 D20M1-K4 WeakPolarHBondContact O-CB 3.47Å; M1-K4 PolarHBondContact O-N 3.45Å; M1-K4 VanDerWaalsContact O-N 3.08Å; G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 2.84Å; K4-Q8 PolarHBondContact O-NE2 3.31Å; K4-D20 IonicContact NZ-OD1 3.53Å; K4-D20 PolarHBondContact NZ-OD1 3.05Å; K4-D20 IonicContact NZ-OD2 3.25Å; K4-D20 PolarHBondContact NZ-OD2 3.27Å
5Y94.2Very high91.2Very high17 Ų1756.4 Ų56.47%0.06731%0.31CS..G310 helixtrans-110.65.7-174.3-64.9-70.8000112.9M1 G2 E3 S13 G16 I17 D20M1-Y5 HydrophobicContact CG-CD2 4.35Å; M1-Y5 HydrophobicContact CG-CE2 4.23Å; G2-Y5 CarbonylContact O-C 3.52Å; G2-Y5 PolarHBondContact O-N 3.39Å; G2-Y5 VanDerWaalsContact O-N 3.13Å; E3-Y5 PolarHBondContact O-N 3.44Å; Y5-S13 PolarHBondContact O-OG 3.12Å; Y5-G16 VanDerWaalsContact CE1-CA 3.49Å; Y5-G16 VanDerWaalsContact OH-C 3.3Å; Y5-G16 WeakPolarHBondContact OH-CA 3.33Å; Y5-G16 PolarHBondContact OH-O 3.31Å; Y5-G16 VanDerWaalsContact OH-O 3.13Å; Y5-I17 HydrophobicContact CD2-CD1 4.4Å; Y5-I17 HydrophobicContact CD2-CG1 3.5Å; Y5-I17 VanDerWaalsContact CD2-CG1 3.5Å; Y5-I17 HydrophobicContact CE2-CG1 4.03Å; Y5-I17 HydrophobicContact CG-CG1 4.01Å; Y5-D20 VanDerWaalsContact CE2-OD2 3.3Å; Y5-D20 WeakPolarHBondContact CE2-OD2 3.29Å; Y5-D20 PolarHBondContact OH-OD1 3.22Å; Y5-D20 PolarHBondContact OH-OD2 3.49Å
6A94.3Very high91.2Very high25 Ų2553.4 Ų53.421%0.20730%0.296CS..THydrogen-bonded Turntrans-72.1140.617700000110.8G2 E3 Q8 L102 P119 G120G2-A6 PolarHBondContact O-N 2.62Å; G2-A6 VanDerWaalsContact O-N 3.07Å; E3-A6 PolarHBondContact O-N 2.74Å; A6-Q8 PolarHBondContact O-N 3.47Å; A6-L102 CarbonylContact C-O 3.57Å; A6-L102 WeakPolarHBondContact CA-O 3.45Å; A6-P119 HydrophobicContact CB-CB 4.34Å; A6-G120 VanDerWaalsContact CB-N 3.27Å
7G92.2Very high91.4Very high63 Ų6350.2 Ų50.265%0.64928%0.278SS*.THydrogen-bonded Turntrans77.6-6-177.300000115L102G7-L102 PolarHBondContact N-O 3.37Å
8Q93.2Very high91.4Very high71 Ų7148.5 Ų48.533%0.33227%0.268SS..SBendtrans-81.7159.6174.7-66.2179.57.600111.2K4 A6 L10K4-Q8 PolarHBondContact O-NE2 3.31Å; A6-Q8 PolarHBondContact O-N 3.47Å; Q8-L10 PolarHBondContact O-N 3.13Å
9P91.9Very high91.5Very high70 Ų7055.2 Ų55.246%0.45529%0.288SS..  trans-53.9137.4169.2-23.633.6000111T11 E12 S13P9-T11 PolarHBondContact O-N 3.13Å; P9-E12 HydrophobicContact CB-CG 4.32Å; P9-E12 HydrophobicContact CG-CG 4.41Å; P9-E12 WeakPolarHBondContact O-CA 3.46Å; P9-E12 WeakPolarHBondContact O-CB 3.37Å; P9-E12 PolarHBondContact O-N 2.8Å; P9-S13 PolarHBondContact O-N 3.27Å; P9-S13 PolarHBondContact O-OG 3.06Å
10L91.2Very high91.6Very high44 Ų4454 Ų5423%0.2328%0.283CS..Hα-helixtrans-51.8-38.3-176.2-179.865.3000113Q8 S13 V14 W54 I79 W140Q8-L10 PolarHBondContact O-N 3.13Å; L10-S13 PolarHBondContact O-N 3.01Å; L10-V14 HydrophobicContact CD1-CG2 4.08Å; L10-V14 HydrophobicContact CG-CG2 4.21Å; L10-V14 WeakPolarHBondContact O-CB 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 3.46Å; L10-W54 HydrophobicContact CD1-CH2 4.27Å; L10-W54 HydrophobicContact CD1-CZ2 4.45Å; L10-W54 HydrophobicContact CD2-CH2 4.28Å; L10-W54 HydrophobicContact CD2-CZ2 3.99Å; L10-W54 HydrophobicContact CG-CZ2 4.28Å; L10-I79 HydrophobicContact CD1-CG2 4.42Å; L10-W140 HydrophobicContact CD1-CB 3.89Å; L10-W140 HydrophobicContact CD1-CD2 3.83Å; L10-W140 HydrophobicContact CD1-CE3 4.18Å; L10-W140 HydrophobicContact CD1-CG 3.7Å; L10-W140 HydrophobicContact CD2-CD2 3.61Å; L10-W140 VanDerWaalsContact CD2-CE2 3.41Å; L10-W140 HydrophobicContact CD2-CE3 4.04Å; L10-W140 HydrophobicContact CD2-CG 4.09Å; L10-W140 HydrophobicContact CD2-CH2 4.09Å; L10-W140 HydrophobicContact CD2-CZ2 3.66Å; L10-W140 HydrophobicContact CD2-CZ3 4.28Å; L10-W140 HydrophobicContact CG-CD2 4.36Å; L10-W140 HydrophobicContact CG-CG 4.46Å
11T90.9Very high91.6Very high59 Ų5951.9 Ų51.936%0.36227%0.272SS..Hα-helixtrans-62.5-41.2178.348.50000112.4P9 N15 T51P9-T11 PolarHBondContact O-N 3.13Å; T11-N15 WeakPolarHBondContact O-CB 3.3Å; T11-N15 VanDerWaalsContact O-CG 3.27Å; T11-N15 PolarHBondContact O-N 3.29Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3Å; T11-N15 VanDerWaalsContact O-ND2 3.17Å; T11-T51 HydrophobicContact CG2-CG2 3.86Å
12E91.9Very high92Very high107 Ų10753.4 Ų53.450%0.528%0.276SS..Hα-helixtrans-69.5-44.2175.7-65.5-176.9-172.500110.8P9 V14 N15 G16P9-E12 HydrophobicContact CB-CG 4.32Å; P9-E12 HydrophobicContact CG-CG 4.41Å; P9-E12 WeakPolarHBondContact O-CA 3.46Å; P9-E12 WeakPolarHBondContact O-CB 3.37Å; P9-E12 PolarHBondContact O-N 2.8Å; E12-V14 PolarHBondContact O-N 3.07Å; E12-N15 PolarHBondContact O-N 3.4Å; E12-G16 PolarHBondContact O-N 3.08Å
13S92.7Very high92.5Very high1 Ų160.4 Ų60.41%0.00731%0.313CS..Hα-helixtrans-58.6-47.7176.4-52.50000111.3Y5 P9 L10 G16 I17Y5-S13 PolarHBondContact O-OG 3.12Å; P9-S13 PolarHBondContact O-N 3.27Å; P9-S13 PolarHBondContact O-OG 3.06Å; L10-S13 PolarHBondContact O-N 3.01Å; S13-G16 PolarHBondContact O-N 3.48Å; S13-I17 VanDerWaalsContact O-CB 3.23Å; S13-I17 WeakPolarHBondContact O-CB 3.49Å; S13-I17 WeakPolarHBondContact O-CD1 3.33Å; S13-I17 WeakPolarHBondContact O-CG1 3.4Å; S13-I17 PolarHBondContact O-N 3.17Å
14V92.9Very high92.3Very high1 Ų159.8 Ų59.81%0.00632%0.317CS..Hα-helixtrans-61.3-50.2179.21710000111.1L10 E12 G16 H18 L32 A52 W54 I79L10-V14 HydrophobicContact CD1-CG2 4.08Å; L10-V14 HydrophobicContact CG-CG2 4.21Å; L10-V14 WeakPolarHBondContact O-CB 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 3.46Å; E12-V14 PolarHBondContact O-N 3.07Å; V14-G16 PolarHBondContact O-N 3.47Å; V14-H18 WeakPolarHBondContact O-CB 3.11Å; V14-H18 PolarHBondContact O-N 3.3Å; V14-L32 HydrophobicContact CG1-CD2 3.87Å; V14-A52 HydrophobicContact CG1-CB 3.96Å; V14-W54 HydrophobicContact CG2-CH2 4.14Å; V14-W54 HydrophobicContact CG2-CZ2 3.78Å; V14-I79 HydrophobicContact CB-CD1 4.14Å; V14-I79 HydrophobicContact CG1-CD1 4.36Å; V14-I79 HydrophobicContact CG2-CD1 3.65Å
15N92.6Very high92Very high61 Ų6156.2 Ų56.233%0.32630%0.3SS..Hα-helixtrans-65.1-40-178.8-74.4-26.4000112.2T11 E12 R19 T51T11-N15 WeakPolarHBondContact O-CB 3.3Å; T11-N15 VanDerWaalsContact O-CG 3.27Å; T11-N15 PolarHBondContact O-N 3.29Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3Å; T11-N15 VanDerWaalsContact O-ND2 3.17Å; E12-N15 PolarHBondContact O-N 3.4Å; N15-R19 WeakPolarHBondContact O-CB 3.31Å; N15-R19 PolarHBondContact O-N 2.88Å; N15-T51 WeakPolarHBondContact ND2-CG2 3.41Å
16G92.7Very high91.6Very high8 Ų856.9 Ų56.98%0.08231%0.312CS..Hα-helixtrans-68.5-45.6178.300000112.6Y5 E12 S13 V14 H18 R19 D20Y5-G16 VanDerWaalsContact CE1-CA 3.49Å; Y5-G16 VanDerWaalsContact OH-C 3.3Å; Y5-G16 WeakPolarHBondContact OH-CA 3.33Å; Y5-G16 PolarHBondContact OH-O 3.31Å; Y5-G16 VanDerWaalsContact OH-O 3.13Å; E12-G16 PolarHBondContact O-N 3.08Å; S13-G16 PolarHBondContact O-N 3.48Å; V14-G16 PolarHBondContact O-N 3.47Å; G16-H18 VanDerWaalsContact C-N 3.34Å; G16-H18 PolarHBondContact O-N 2.97Å; G16-R19 PolarHBondContact O-N 3.38Å; G16-D20 PolarHBondContact O-N 3.31Å
17I94Very high91.1Very high0 Ų061.6 Ų61.60%033%0.334CS..Hα-helixtrans-58.6-47.7174.7-72.8165.7000110.2M1 Y5 S13 R19 D20 L21 I79 L102 F142M1-I17 HydrophobicContact SD-CG2 4.31Å; Y5-I17 HydrophobicContact CD2-CD1 4.4Å; Y5-I17 HydrophobicContact CD2-CG1 3.5Å; Y5-I17 VanDerWaalsContact CD2-CG1 3.5Å; Y5-I17 HydrophobicContact CE2-CG1 4.03Å; Y5-I17 HydrophobicContact CG-CG1 4.01Å; S13-I17 VanDerWaalsContact O-CB 3.23Å; S13-I17 WeakPolarHBondContact O-CB 3.49Å; S13-I17 WeakPolarHBondContact O-CD1 3.33Å; S13-I17 WeakPolarHBondContact O-CG1 3.4Å; S13-I17 PolarHBondContact O-N 3.17Å; I17-R19 PolarHBondContact O-N 2.99Å; I17-D20 PolarHBondContact O-N 2.88Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.1Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.23Å; I17-L21 PolarHBondContact O-N 3.07Å; I17-I79 HydrophobicContact CD1-CD1 3.94Å; I17-I79 HydrophobicContact CD1-CG1 4.42Å; I17-I79 HydrophobicContact CG2-CD1 4.37Å; I17-L102 HydrophobicContact CD1-CD1 4.11Å; I17-L102 HydrophobicContact CD1-CD2 4.23Å; I17-F142 HydrophobicContact CD1-CB 4.33Å; I17-F142 HydrophobicContact CD1-CD2 3.8Å; I17-F142 HydrophobicContact CD1-CE2 4.44Å; I17-F142 HydrophobicContact CD1-CG 4.23Å; I17-F142 HydrophobicContact CG1-CD2 4.45Å; I17-F142 HydrophobicContact CG2-CD2 3.94Å; I17-F142 HydrophobicContact CG2-CE2 3.55Å; I17-F142 HydrophobicContact CG2-CZ 4.46Å
18H92.1Very high90.7Very high19 Ų1961.1 Ų61.19%0.08832%0.315CS..Hα-helixtrans-62.5-42.9179.6-172.389000111.8V14 G16 K22 I29 M30 L32V14-H18 WeakPolarHBondContact O-CB 3.11Å; V14-H18 PolarHBondContact O-N 3.3Å; G16-H18 VanDerWaalsContact C-N 3.34Å; G16-H18 PolarHBondContact O-N 2.97Å; H18-K22 VanDerWaalsContact O-CB 3.31Å; H18-K22 WeakPolarHBondContact O-CB 3.36Å; H18-K22 PolarHBondContact O-N 3.34Å; H18-I29 WeakPolarHBondContact CE1-CG2 3.26Å; H18-M30 PolarHBondContact CE1-O 2.88Å; H18-M30 VanDerWaalsContact CE1-O 3.22Å; H18-L32 HydrophobicContact CB-CD2 3.88Å; H18-L32 HydrophobicContact CB-CG 4.37Å
19R92.1Very high90.4Very high175 Ų17558.7 Ų58.766%0.6630%0.304SS*.Hα-helixtrans-60.3-49.6176.2-174.4-172.2-55.1-179.33.5112N15 G16 I17 K22 L23N15-R19 WeakPolarHBondContact O-CB 3.31Å; N15-R19 PolarHBondContact O-N 2.88Å; G16-R19 PolarHBondContact O-N 3.38Å; I17-R19 PolarHBondContact O-N 2.99Å; R19-K22 PolarHBondContact O-N 2.97Å; R19-L23 PolarHBondContact O-N 3.39Å
20D93.8Very high90.2Very high32 Ų3256.2 Ų56.217%0.17129%0.287CS..Hα-helixtrans-68.3-40.5-177.7-73.4-8.8000111.4M1 K4 Y5 G16 I17 K22 L23M1-D20 HydrophobicContact CE-CB 3.42Å; M1-D20 VanDerWaalsContact CE-CB 3.42Å; M1-D20 HydrophobicContact SD-CB 4.09Å; K4-D20 IonicContact NZ-OD1 3.53Å; K4-D20 PolarHBondContact NZ-OD1 3.05Å; K4-D20 IonicContact NZ-OD2 3.25Å; K4-D20 PolarHBondContact NZ-OD2 3.27Å; Y5-D20 VanDerWaalsContact CE2-OD2 3.3Å; Y5-D20 WeakPolarHBondContact CE2-OD2 3.29Å; Y5-D20 PolarHBondContact OH-OD1 3.22Å; Y5-D20 PolarHBondContact OH-OD2 3.49Å; G16-D20 PolarHBondContact O-N 3.31Å; I17-D20 PolarHBondContact O-N 2.88Å; D20-K22 VanDerWaalsContact C-N 3.28Å; D20-K22 PolarHBondContact O-N 3.43Å; D20-L23 WeakPolarHBondContact O-CB 3.4Å; D20-L23 PolarHBondContact O-N 2.92Å
21L92.2Very high89.9Confident10 Ų1059.5 Ų59.55%0.05230%0.304CS..Hα-helixtrans-66-34.4177-70.2167.1000111M1 I17 L23 V24 Y25 I29 V69 V77 F142M1-L21 HydrophobicContact CE-CD2 3.79Å; M1-L21 HydrophobicContact CE-CG 3.94Å; M1-L21 HydrophobicContact SD-CD1 4.16Å; M1-L21 HydrophobicContact SD-CD2 3.66Å; M1-L21 HydrophobicContact SD-CG 3.5Å; M1-L21 WeakPolarHBondContact SD-CG 3.36Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.1Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.23Å; I17-L21 PolarHBondContact O-N 3.07Å; L21-L23 PolarHBondContact O-N 3.47Å; L21-V24 CarbonylContact O-C 3.56Å; L21-V24 WeakPolarHBondContact O-CA 3.29Å; L21-V24 PolarHBondContact O-N 3.35Å; L21-Y25 HydrophobicContact CB-CD2 4.28Å; L21-Y25 HydrophobicContact CD2-CD2 3.89Å; L21-Y25 HydrophobicContact CD2-CE2 3.66Å; L21-Y25 PolarHBondContact O-N 2.78Å; L21-I29 HydrophobicContact CB-CD1 3.32Å; L21-I29 VanDerWaalsContact O-CD1 3.31Å; L21-I29 WeakPolarHBondContact O-CD1 3.44Å; L21-V69 HydrophobicContact CD1-CB 4.32Å; L21-V69 HydrophobicContact CD1-CG1 3.67Å; L21-V77 HydrophobicContact CD1-CG1 3.68Å; L21-F142 HydrophobicContact CD1-CE2 4.22Å; L21-F142 HydrophobicContact CD1-CZ 4.48Å
22K91Very high89.6Confident114 Ų11458.3 Ų58.350%0.49630%0.296SS..Hα-helixtrans-62.3-28.3179.5-171.6167.7-175.1165.60111.9H18 R19 D20 V24 G26 I29H18-K22 VanDerWaalsContact O-CB 3.31Å; H18-K22 WeakPolarHBondContact O-CB 3.36Å; H18-K22 PolarHBondContact O-N 3.34Å; R19-K22 PolarHBondContact O-N 2.97Å; D20-K22 VanDerWaalsContact C-N 3.28Å; D20-K22 PolarHBondContact O-N 3.43Å; K22-V24 VanDerWaalsContact C-N 3.3Å; K22-G26 VanDerWaalsContact O-CA 3.26Å; K22-G26 WeakPolarHBondContact O-CA 3.47Å; K22-G26 PolarHBondContact O-N 2.89Å; K22-I29 VanDerWaalsContact CA-CD1 3.49Å; K22-I29 HydrophobicContact CB-CD1 4.2Å
23L91Very high89.2Confident147 Ų14756.2 Ų56.277%0.7728%0.283SS*.Hα-helixtrans-71.8-23.8172.4-60.5173.6000113.1R19 D20 L21R19-L23 PolarHBondContact O-N 3.39Å; D20-L23 WeakPolarHBondContact O-CB 3.4Å; D20-L23 PolarHBondContact O-N 2.92Å; L21-L23 PolarHBondContact O-N 3.47Å
24V88.3Confident88.7Confident108 Ų10858 Ų5866%0.65530%0.295SS*.Hα-helixtrans-96.4-49.3-176.8179.70000111.9L21 K22L21-V24 CarbonylContact O-C 3.56Å; L21-V24 WeakPolarHBondContact O-CA 3.29Å; L21-V24 PolarHBondContact O-N 3.35Å; K22-V24 VanDerWaalsContact C-N 3.3Å
25Y86.2Confident88.2Confident49 Ų4960.2 Ų60.219%0.19231%0.305CS..Hα-helixtrans-94.9-11.5-175.8-73.2-88.5000113.2L21 D27 H28 I29 H70 V77L21-Y25 HydrophobicContact CB-CD2 4.28Å; L21-Y25 HydrophobicContact CD2-CD2 3.89Å; L21-Y25 HydrophobicContact CD2-CE2 3.66Å; L21-Y25 PolarHBondContact O-N 2.78Å; Y25-D27 PolarHBondContact O-N 2.91Å; Y25-H28 WeakPolarHBondContact O-CB 3.44Å; Y25-H28 PolarHBondContact O-CD2 3.33Å; Y25-H28 PolarHBondContact O-N 3.31Å; Y25-H28 VanDerWaalsContact O-N 3.1Å; Y25-I29 HydrophobicContact CG-CG1 4.45Å; Y25-H70 AromaticContact CE1-CD2 3.91Å; Y25-H70 AromaticContact CE1-NE2 3.99Å; Y25-V77 HydrophobicContact CE2-CG2 4.48Å
26G86.9Confident87.7Confident31 Ų3157.3 Ų57.332%0.3229%0.29SS..G310 helixtrans55.9-123.9179.100000112.8K22 H28 I29K22-G26 VanDerWaalsContact O-CA 3.26Å; K22-G26 WeakPolarHBondContact O-CA 3.47Å; K22-G26 PolarHBondContact O-N 2.89Å; G26-H28 PolarHBondContact O-N 2.85Å; G26-I29 PolarHBondContact O-N 3.17Å
27D83.5Confident87.4Confident124 Ų12460.4 Ų60.466%0.66330%0.304SS*.G310 helixtrans-75.6-6.4-176.9-67.2-17.5000113.7Y25 I29Y25-D27 PolarHBondContact O-N 2.91Å; D27-I29 PolarHBondContact O-N 2.81Å
28H84Confident87.1Confident53 Ų5363 Ų6325%0.24532%0.317CS..G310 helixtrans-80-1.7175-63.2-83.3000113.7Y25 G26 H70 V186Y25-H28 WeakPolarHBondContact O-CB 3.44Å; Y25-H28 PolarHBondContact O-CD2 3.33Å; Y25-H28 PolarHBondContact O-N 3.31Å; Y25-H28 VanDerWaalsContact O-N 3.1Å; G26-H28 PolarHBondContact O-N 2.85Å; H28-H70 PolarHBondContact O-ND1 2.82Å; H28-V186 WeakPolarHBondContact CE1-CG1 3.42Å; H28-V186 WeakPolarHBondContact NE2-CG1 3.18Å
29I87.1Confident86.7Confident20 Ų2062.3 Ų62.310%0.10331%0.314CS..SBendtrans-82.6133.9176.7-63.6-140.9000110.4H18 L21 K22 Y25 G26 D27 V69H18-I29 WeakPolarHBondContact CE1-CG2 3.26Å; L21-I29 HydrophobicContact CB-CD1 3.32Å; L21-I29 VanDerWaalsContact O-CD1 3.31Å; L21-I29 WeakPolarHBondContact O-CD1 3.44Å; K22-I29 VanDerWaalsContact CA-CD1 3.49Å; K22-I29 HydrophobicContact CB-CD1 4.2Å; Y25-I29 HydrophobicContact CG-CG1 4.45Å; G26-I29 PolarHBondContact O-N 3.17Å; D27-I29 PolarHBondContact O-N 2.81Å; I29-V69 HydrophobicContact CD1-CG1 4.3Å; I29-V69 HydrophobicContact CG2-CG1 4.13Å
30M86.6Confident86.3Confident18 Ų1859.2 Ų59.29%0.08931%0.307CS..PPolyproline II helixtrans-72.9135.1171.4-59.416858.800109.7H18 L32 F68 V69 I71 V175 S179H18-M30 PolarHBondContact CE1-O 2.88Å; H18-M30 VanDerWaalsContact CE1-O 3.22Å; M30-L32 PolarHBondContact O-N 3.49Å; M30-F68 HydrophobicContact CE-CB 3.95Å; M30-F68 HydrophobicContact SD-CB 3.83Å; M30-V69 PolarHBondContact N-O 2.68Å; M30-I71 HydrophobicContact SD-CD1 4.12Å; M30-I71 HydrophobicContact SD-CG1 3.99Å; M30-V175 HydrophobicContact CE-CG1 3.35Å; M30-S179 WeakPolarHBondContact CE-OG 3.1Å; M30-S179 WeakPolarHBondContact CG-OG 3.49Å; M30-S179 PolarHBondContact SD-OG 2.92Å
31D85.3Confident86Confident112 Ų11264.8 Ų64.860%0.59933%0.33SS*.PPolyproline II helixtrans-53.2142.7172-71.7-40.4000110.8W33 S34D31-W33 PolarHBondContact O-N 3.15Å; D31-S34 PolarHBondContact N-OG 3.22Å; D31-S34 VanDerWaalsContact N-OG 3.12Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.45Å; D31-S34 PolarHBondContact O-N 3.43Å; D31-S34 PolarHBondContact O-OG 3.22Å
32L84.4Confident85.5Confident35 Ų3571.3 Ų71.318%0.18335%0.354CS..THydrogen-bonded Turntrans-48.2-28.9176-76.3160.8000112.8V14 H18 M30 A52 F53 H67V14-L32 HydrophobicContact CG1-CD2 3.87Å; H18-L32 HydrophobicContact CB-CD2 3.88Å; H18-L32 HydrophobicContact CB-CG 4.37Å; M30-L32 PolarHBondContact O-N 3.49Å; L32-A52 HydrophobicContact CB-CB 4.37Å; L32-A52 HydrophobicContact CD2-CB 3.96Å; L32-A52 CarbonylContact O-C 3.56Å; L32-A52 VanDerWaalsContact O-CA 3.32Å; L32-A52 WeakPolarHBondContact O-CA 3.02Å; L32-F53 PolarHBondContact O-N 2.8Å; L32-H67 PolarHBondContact O-CE1 2.87Å; L32-H67 VanDerWaalsContact O-CE1 3.31Å
33W83.4Confident84.7Confident63 Ų6372 Ų7224%0.23936%0.363CS..THydrogen-bonded Turntrans-11126.5-178.3-75.290.8000114.2D31 K35 F46 E50 T51 A52 F53D31-W33 PolarHBondContact O-N 3.15Å; W33-K35 WeakPolarHBondContact O-CG 3.25Å; W33-K35 PolarHBondContact O-N 2.96Å; W33-F46 AromaticContact CD2-CD2 3.97Å; W33-F46 HydrophobicContact CD2-CD2 3.97Å; W33-F46 HydrophobicContact CD2-CE2 4.48Å; W33-F46 AromaticContact CE2-CD2 3.22Å; W33-F46 AromaticContact CE2-CE2 3.38Å; W33-F46 HydrophobicContact CE3-CD2 4.47Å; W33-F46 AromaticContact CH2-CD2 3.66Å; W33-F46 HydrophobicContact CH2-CD2 3.66Å; W33-F46 HydrophobicContact CH2-CE2 4.19Å; W33-F46 HydrophobicContact CH2-CG 4.5Å; W33-F46 AromaticContact CZ2-CD2 3.06Å; W33-F46 HydrophobicContact CZ2-CD2 3.06Å; W33-F46 AromaticContact CZ2-CE2 3.22Å; W33-F46 HydrophobicContact CZ2-CE2 3.22Å; W33-F46 HydrophobicContact CZ2-CG 4.22Å; W33-F46 HydrophobicContact CZ2-CZ 4.47Å; W33-F46 HydrophobicContact CZ3-CD2 4.33Å; W33-F46 AromaticContact NE1-CD2 3.59Å; W33-F46 AromaticContact NE1-CE2 3.37Å; W33-E50 HydrophobicContact CH2-CB 3.99Å; W33-E50 HydrophobicContact CZ2-CB 4.09Å; W33-E50 WeakPolarHBondContact CZ2-O 3.46Å; W33-T51 PolarHBondContact NE1-O 3.47Å; W33-A52 WeakPolarHBondContact CH2-O 3.35Å; W33-A52 VanDerWaalsContact CZ2-C 3.48Å; W33-A52 WeakPolarHBondContact CZ2-O 3.39Å; W33-F53 HydrophobicContact CD2-CB 4.49Å; W33-F53 HydrophobicContact CE3-CB 3.94Å; W33-F53 HydrophobicContact CZ3-CB 4.3Å
34S81.8Confident83.8Confident38 Ų3867 Ų6727%0.26634%0.336SS..  trans-63.998.8173.4-65.50000110.8D31 F53D31-S34 PolarHBondContact N-OG 3.22Å; D31-S34 VanDerWaalsContact N-OG 3.12Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.45Å; D31-S34 PolarHBondContact O-N 3.43Å; D31-S34 PolarHBondContact O-OG 3.22Å; S34-F53 WeakPolarHBondContact O-CD1 3.33Å
35K82.6Confident82.9Confident48 Ų4870.7 Ų70.721%0.20934%0.343CS..  trans-84.6147-178.9-64.3176.3-167.7175.90112.2W33 H40 Q44 F53 K178W33-K35 WeakPolarHBondContact O-CG 3.25Å; W33-K35 PolarHBondContact O-N 2.96Å; K35-H40 HydrophobicContact CB-CB 4.32Å; K35-Q44 PolarHBondContact NZ-O 3Å; K35-F53 HydrophobicContact CG-CD2 3.89Å; K35-F53 HydrophobicContact CG-CE2 4.14Å; K35-F53 HydrophobicContact CG-CG 4.23Å; K35-K178 PolarHBondContact O-NZ 3.13Å
36G82.3Confident82Confident0 Ų073.7 Ų73.70%036%0.357CS..  trans-64167.4161.800000112.5S39 H40 D171 T174G36-S39 PolarHBondContact O-N 2.96Å; G36-H40 VanDerWaalsContact O-CB 3.23Å; G36-H40 WeakPolarHBondContact O-CB 3.48Å; G36-H40 PolarHBondContact O-N 3.48Å; G36-D171 VanDerWaalsContact CA-OD1 3.27Å; G36-D171 WeakPolarHBondContact CA-OD1 3.21Å; G36-T174 WeakPolarHBondContact CA-OG1 3.17Å
37L87.3Confident81.2Confident72 Ų7279.2 Ų79.238%0.37737%0.368SS..Hα-helixtrans-57.9-51.6-175.7-176.470000112.8H40 F41 I170 D171 T174L37-H40 WeakPolarHBondContact O-CB 3.15Å; L37-H40 PolarHBondContact O-N 2.7Å; L37-F41 HydrophobicContact CD1-CD2 4.21Å; L37-F41 HydrophobicContact CD1-CE2 3.63Å; L37-F41 HydrophobicContact CG-CD2 4.27Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 2.99Å; L37-F41 PolarHBondContact O-N 3.34Å; L37-F41 VanDerWaalsContact O-N 3.15Å; L37-I170 HydrophobicContact CB-CG2 4.45Å; L37-I170 HydrophobicContact CD2-CG2 4.37Å; L37-D171 PolarHBondContact N-OD1 3.01Å; L37-D171 VanDerWaalsContact N-OD1 3.12Å; L37-T174 HydrophobicContact CB-CG2 3.54Å; L37-T174 HydrophobicContact CD2-CG2 4.06Å; L37-T174 HydrophobicContact CG-CG2 4.41Å; L37-T174 PolarHBondContact N-OG1 3.24Å
38I86.7Confident80.2Confident56 Ų5679.1 Ų79.129%0.28738%0.375SS..Hα-helixtrans-69.4-42.9-178.2-55.1-59.6000109.7H40 F41 R42 I167 I170 D171I38-H40 PolarHBondContact O-N 3.09Å; I38-F41 PolarHBondContact O-N 2.83Å; I38-R42 VanDerWaalsContact O-CB 3.3Å; I38-R42 WeakPolarHBondContact O-CB 3.42Å; I38-R42 PolarHBondContact O-N 2.9Å; I38-I167 HydrophobicContact CB-CG2 4.18Å; I38-I167 HydrophobicContact CG2-CG2 3.77Å; I38-I170 HydrophobicContact CD1-CD1 4.47Å; I38-I170 HydrophobicContact CD1-CG2 4.2Å; I38-I170 HydrophobicContact CG1-CB 4.05Å; I38-I170 HydrophobicContact CG1-CD1 4.32Å; I38-I170 HydrophobicContact CG1-CG2 3.71Å; I38-D171 WeakPolarHBondContact CA-OD1 3.38Å; I38-D171 WeakPolarHBondContact CB-OD1 3.29Å; I38-D171 PolarHBondContact N-OD1 2.78Å
39S84.3Confident79.6Confident4 Ų481.1 Ų81.13%0.02840%0.395CS..Hα-helixtrans-62.3-30.7175.8-77.70000113.5G36 Q44 F53 D171G36-S39 PolarHBondContact O-N 2.96Å; S39-Q44 PolarHBondContact OG-OE1 3.35Å; S39-F53 WeakPolarHBondContact OG-CZ 3.46Å; S39-D171 VanDerWaalsContact CB-OD2 3.27Å; S39-D171 WeakPolarHBondContact CB-OD2 3.14Å; S39-D171 PolarHBondContact N-OD1 3.47Å; S39-D171 PolarHBondContact N-OD2 3.38Å; S39-D171 PolarHBondContact OG-OD2 3.35Å
40H84.1Confident79.1Confident109 Ų10981.5 Ų81.551%0.50540%0.396SS..Hα-helixtrans-66.1-50.8172.2-17682.8000110.9K35 G36 L37 I38 R42 N43K35-H40 HydrophobicContact CB-CB 4.32Å; G36-H40 VanDerWaalsContact O-CB 3.23Å; G36-H40 WeakPolarHBondContact O-CB 3.48Å; G36-H40 PolarHBondContact O-N 3.48Å; L37-H40 WeakPolarHBondContact O-CB 3.15Å; L37-H40 PolarHBondContact O-N 2.7Å; I38-H40 PolarHBondContact O-N 3.09Å; H40-R42 PolarHBondContact O-N 3.23Å; H40-N43 PolarHBondContact O-N 3.5Å
41F86Confident78.8Confident150 Ų15082 Ų8266%0.65840%0.4SS*.Hα-helixtrans-69.8-28.8178.6-74.2-65.2000114.2L37 I38 N43L37-F41 HydrophobicContact CD1-CD2 4.21Å; L37-F41 HydrophobicContact CD1-CE2 3.63Å; L37-F41 HydrophobicContact CG-CD2 4.27Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 2.99Å; L37-F41 PolarHBondContact O-N 3.34Å; L37-F41 VanDerWaalsContact O-N 3.15Å; I38-F41 PolarHBondContact O-N 2.83Å; F41-N43 PolarHBondContact O-N 2.71Å
42R83.4Confident78.9Confident146 Ų14676.7 Ų76.755%0.55137%0.372SS*.THydrogen-bonded Turntrans-67.7-3.5175.9-165.517168.1177.8-2.3112.6I38 H40 Q44I38-R42 VanDerWaalsContact O-CB 3.3Å; I38-R42 WeakPolarHBondContact O-CB 3.42Å; I38-R42 PolarHBondContact O-N 2.9Å; H40-R42 PolarHBondContact O-N 3.23Å; R42-Q44 PolarHBondContact O-N 3.05Å; R42-Q44 VanDerWaalsContact O-N 3.12Å
43N74.2Confident79Confident128 Ų12875.4 Ų75.468%0.68437%0.365SS*.THydrogen-bonded Turntrans48.240.9-174.8-75.7-27.8000111.5H40 F41 K45H40-N43 PolarHBondContact O-N 3.5Å; F41-N43 PolarHBondContact O-N 2.71Å; N43-K45 PolarHBondContact O-N 3.43Å
44Q72.4Confident79.4Confident44 Ų4473.5 Ų73.521%0.20636%0.358CS..  trans-56.4111.7-179.9-179.2170.7-1600108.5K35 S39 R42K35-Q44 PolarHBondContact NZ-O 3Å; S39-Q44 PolarHBondContact OG-OE1 3.35Å; R42-Q44 PolarHBondContact O-N 3.05Å; R42-Q44 VanDerWaalsContact O-N 3.12Å
45K68.3Low79.9Confident184 Ų18472 Ų7280%0.835%0.346SS*.PPolyproline II helixtrans-71.4140.7-175.8-67.7-174179.4-179.30109.4N43 R47N43-K45 PolarHBondContact O-N 3.43Å; K45-R47 PolarHBondContact O-N 2.99Å; K45-R47 VanDerWaalsContact O-N 3.15Å
46F67.3Low80.3Confident113 Ų11372.7 Ų72.750%0.49636%0.356SS..PPolyproline II helixtrans-53.4117.4166.3178.3-99.7000108.3W33 E50W33-F46 AromaticContact CD2-CD2 3.97Å; W33-F46 HydrophobicContact CD2-CD2 3.97Å; W33-F46 HydrophobicContact CD2-CE2 4.48Å; W33-F46 AromaticContact CE2-CD2 3.22Å; W33-F46 AromaticContact CE2-CE2 3.38Å; W33-F46 HydrophobicContact CE3-CD2 4.47Å; W33-F46 AromaticContact CH2-CD2 3.66Å; W33-F46 HydrophobicContact CH2-CD2 3.66Å; W33-F46 HydrophobicContact CH2-CE2 4.19Å; W33-F46 HydrophobicContact CH2-CG 4.5Å; W33-F46 AromaticContact CZ2-CD2 3.06Å; W33-F46 HydrophobicContact CZ2-CD2 3.06Å; W33-F46 AromaticContact CZ2-CE2 3.22Å; W33-F46 HydrophobicContact CZ2-CE2 3.22Å; W33-F46 HydrophobicContact CZ2-CG 4.22Å; W33-F46 HydrophobicContact CZ2-CZ 4.47Å; W33-F46 HydrophobicContact CZ3-CD2 4.33Å; W33-F46 AromaticContact NE1-CD2 3.59Å; W33-F46 AromaticContact NE1-CE2 3.37Å; F46-E50 WeakPolarHBondContact CE2-O 3.32Å; F46-E50 WeakPolarHBondContact CZ-O 3.27Å
47R71.4Confident80.8Confident146 Ų14673.2 Ų73.255%0.55136%0.358SS*.PPolyproline II helixtrans-80.2129.5167.1-75.8-177.9177.8172-3.9107.1K45 S49 E50K45-R47 PolarHBondContact O-N 2.99Å; K45-R47 VanDerWaalsContact O-N 3.15Å; R47-S49 PolarHBondContact O-N 3.08Å; R47-E50 HydrophobicContact CB-CB 4.23Å; R47-E50 HydrophobicContact CB-CG 4.05Å; R47-E50 WeakPolarHBondContact CD-OE1 3.45Å; R47-E50 IonicContact NH1-OE1 3.75Å; R47-E50 PolarHBondContact O-N 2.83Å
48P62Low81.1Confident122 Ų12269.9 Ų69.979%0.79234%0.341SS*.THydrogen-bonded Turntrans-53.9-27.5179.1-27.634.9000114.4
49S71.3Confident81.4Confident95 Ų9567.2 Ų67.266%0.66433%0.327SS*.THydrogen-bonded Turntrans-78.2-17.8177.559.20000114.3R47R47-S49 PolarHBondContact O-N 3.08Å
50E76.9Confident81.7Confident28 Ų2868.4 Ų68.413%0.13134%0.34CS..  trans-98.8127.7-177.6-69.5174-174.900108.9W33 F46 R47W33-E50 HydrophobicContact CH2-CB 3.99Å; W33-E50 HydrophobicContact CZ2-CB 4.09Å; W33-E50 WeakPolarHBondContact CZ2-O 3.46Å; F46-E50 WeakPolarHBondContact CE2-O 3.32Å; F46-E50 WeakPolarHBondContact CZ-O 3.27Å; R47-E50 HydrophobicContact CB-CB 4.23Å; R47-E50 HydrophobicContact CB-CG 4.05Å; R47-E50 WeakPolarHBondContact CD-OE1 3.45Å; R47-E50 IonicContact NH1-OE1 3.75Å; R47-E50 PolarHBondContact O-N 2.83Å
51T80.5Confident82.1Confident29 Ų2965.1 Ų65.118%0.17834%0.336CS..SBendtrans-88.3-18.2177.549.30000112.8T11 N15 W33T11-T51 HydrophobicContact CG2-CG2 3.86Å; N15-T51 WeakPolarHBondContact ND2-CG2 3.41Å; W33-T51 PolarHBondContact NE1-O 3.47Å
52A86.5Confident82.4Confident0 Ų058.7 Ų58.70%031%0.308CS..SBendtrans-146.5162-172.500000111.9V14 L32 W33 W54V14-A52 HydrophobicContact CG1-CB 3.96Å; L32-A52 HydrophobicContact CB-CB 4.37Å; L32-A52 HydrophobicContact CD2-CB 3.96Å; L32-A52 CarbonylContact O-C 3.56Å; L32-A52 VanDerWaalsContact O-CA 3.32Å; L32-A52 WeakPolarHBondContact O-CA 3.02Å; W33-A52 WeakPolarHBondContact CH2-O 3.35Å; W33-A52 VanDerWaalsContact CZ2-C 3.48Å; W33-A52 WeakPolarHBondContact CZ2-O 3.39Å; A52-W54 PolarHBondContact O-N 3.33Å
53F86.8Confident82.9Confident9 Ų954.8 Ų54.84%0.03930%0.3CS..  trans-75118.2170.2178.9-105.5000110L32 W33 S34 K35 S39 L55 H67L32-F53 PolarHBondContact O-N 2.8Å; W33-F53 HydrophobicContact CD2-CB 4.49Å; W33-F53 HydrophobicContact CE3-CB 3.94Å; W33-F53 HydrophobicContact CZ3-CB 4.3Å; S34-F53 WeakPolarHBondContact O-CD1 3.33Å; K35-F53 HydrophobicContact CG-CD2 3.89Å; K35-F53 HydrophobicContact CG-CE2 4.14Å; K35-F53 HydrophobicContact CG-CG 4.23Å; S39-F53 WeakPolarHBondContact OG-CZ 3.46Å; F53-L55 HydrophobicContact CE1-CB 4.31Å; F53-L55 HydrophobicContact CE1-CD1 4.26Å; F53-H67 PolarHBondContact O-ND1 2.79Å
54W91.4Very high83.9Confident23 Ų2349.1 Ų49.19%0.08727%0.272CS..  trans-105.8117.7176.9-67.495.3000110.2L10 V14 A52 R65 H67 I79 W140L10-W54 HydrophobicContact CD1-CH2 4.27Å; L10-W54 HydrophobicContact CD1-CZ2 4.45Å; L10-W54 HydrophobicContact CD2-CH2 4.28Å; L10-W54 HydrophobicContact CD2-CZ2 3.99Å; L10-W54 HydrophobicContact CG-CZ2 4.28Å; V14-W54 HydrophobicContact CG2-CH2 4.14Å; V14-W54 HydrophobicContact CG2-CZ2 3.78Å; A52-W54 PolarHBondContact O-N 3.33Å; W54-R65 HydrophobicContact CB-CB 4.24Å; W54-R65 HydrophobicContact CD2-CB 4.46Å; W54-R65 HydrophobicContact CE3-CB 3.88Å; W54-H67 HydrophobicContact CD2-CB 4.02Å; W54-H67 HydrophobicContact CE3-CB 3.6Å; W54-H67 HydrophobicContact CH2-CB 4.08Å; W54-H67 HydrophobicContact CZ2-CB 4.43Å; W54-H67 HydrophobicContact CZ3-CB 3.62Å; W54-I79 HydrophobicContact CH2-CB 4.13Å; W54-I79 HydrophobicContact CH2-CG2 3.68Å; W54-I79 HydrophobicContact CZ3-CB 4.34Å; W54-I79 HydrophobicContact CZ3-CG2 4.14Å; W54-W140 HydrophobicContact CD2-CZ3 4.5Å; W54-W140 HydrophobicContact CE3-CH2 4.37Å; W54-W140 AromaticContact CE3-CZ3 3.79Å; W54-W140 HydrophobicContact CE3-CZ3 3.79Å; W54-W140 AromaticContact CH2-CE3 3.8Å; W54-W140 HydrophobicContact CH2-CE3 3.8Å; W54-W140 HydrophobicContact CH2-CH2 4.39Å; W54-W140 AromaticContact CH2-CZ3 3.58Å; W54-W140 HydrophobicContact CH2-CZ3 3.58Å; W54-W140 HydrophobicContact CZ2-CZ3 4.32Å; W54-W140 AromaticContact CZ3-CE3 3.82Å; W54-W140 HydrophobicContact CZ3-CE3 3.82Å; W54-W140 HydrophobicContact CZ3-CH2 4.21Å; W54-W140 AromaticContact CZ3-CZ3 3.28Å; W54-W140 HydrophobicContact CZ3-CZ3 3.28Å
55L91.9Very high85Confident6 Ų652.1 Ų52.13%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-84.3126172.7-172.6105.4000108.9F53 F57 R65 I66 M160 D171 L172F53-L55 HydrophobicContact CE1-CB 4.31Å; F53-L55 HydrophobicContact CE1-CD1 4.26Å; L55-F57 HydrophobicContact CD2-CB 4.39Å; L55-R65 CarbonylContact O-C 3.55Å; L55-R65 WeakPolarHBondContact O-CA 3.37Å; L55-I66 HydrophobicContact CB-CG2 3.98Å; L55-I66 HydrophobicContact CD2-CG2 3.95Å; L55-I66 PolarHBondContact N-O 2.7Å; L55-I66 PolarHBondContact O-N 2.99Å; L55-M160 HydrophobicContact CD2-CE 3.94Å; L55-D171 HydrophobicContact CD1-CB 3.46Å; L55-D171 VanDerWaalsContact CD1-CB 3.46Å; L55-L172 HydrophobicContact CD2-CB 3.83Å; L55-L172 HydrophobicContact CD2-CD1 3.89Å; L55-L172 HydrophobicContact CD2-CG 4.39Å
56P92.4Very high86.2Confident62 Ų6243.8 Ų43.840%0.40325%0.245SC..EExtended strand (participates in β ladder)trans-62.6137.7164.427.8-32.3000109.2G64 P168P56-G64 WeakPolarHBondContact CA-O 3.36Å; P56-P168 HydrophobicContact CG-CB 4Å; P56-P168 HydrophobicContact CG-CG 3.71Å; P56-P168 WeakPolarHBondContact O-CB 3.35Å
57F92.5Very high87.5Confident11 Ų1138.7 Ų38.75%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-140155.7-18085.3-81.4000113.8L55 F62 V63 G64 R65 I66 I80 M156 M160L55-F57 HydrophobicContact CD2-CB 4.39Å; F57-F62 HydrophobicContact CE2-CB 4.08Å; F57-F62 HydrophobicContact CZ-CB 4.34Å; F57-V63 WeakPolarHBondContact O-CA 3.19Å; F57-G64 VanDerWaalsContact CD1-C 3.42Å; F57-G64 WeakPolarHBondContact CD1-O 3.42Å; F57-G64 PolarHBondContact N-O 2.85Å; F57-G64 PolarHBondContact O-N 2.9Å; F57-R65 VanDerWaalsContact CD1-C 3.49Å; F57-I66 HydrophobicContact CB-CG2 3.83Å; F57-I66 HydrophobicContact CD1-CB 3.66Å; F57-I66 HydrophobicContact CD1-CG2 3.8Å; F57-I66 HydrophobicContact CE1-CB 4.17Å; F57-I66 HydrophobicContact CG-CB 4.21Å; F57-I66 HydrophobicContact CG-CG2 3.97Å; F57-I80 HydrophobicContact CE1-CD1 3.76Å; F57-I80 HydrophobicContact CE1-CG1 3.52Å; F57-I80 HydrophobicContact CE2-CD1 3.59Å; F57-I80 HydrophobicContact CE2-CG1 4.3Å; F57-I80 HydrophobicContact CZ-CD1 3.15Å; F57-I80 HydrophobicContact CZ-CG1 3.38Å; F57-M156 HydrophobicContact CB-CE 3.68Å; F57-M156 HydrophobicContact CD2-CE 3.24Å; F57-M156 HydrophobicContact CD2-SD 3.8Å; F57-M156 HydrophobicContact CE2-CE 4.11Å; F57-M156 HydrophobicContact CE2-SD 4.35Å; F57-M156 HydrophobicContact CG-CE 3.61Å; F57-M160 HydrophobicContact CB-CE 3.4Å
58C93.1Very high88.5Confident2 Ų233 Ų331%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-122.7132.4167.2-174.70000107.4F62 M156 C159 M160 Q163C58-F62 CarbonylContact C-O 3.46Å; C58-F62 WeakPolarHBondContact CA-O 3.31Å; C58-M156 WeakPolarHBondContact O-CA 3.5Å; C58-C159 HydrophobicContact CB-CB 3.73Å; C58-C159 WeakPolarHBondContact CB-SG 3.47Å; C58-C159 WeakPolarHBondContact O-CB 3.28Å; C58-C159 WeakPolarHBondContact SG-CB 3.4Å; C58-C159 CovalentContact SG-SG 2.05Å; C58-C159 PolarHBondContact SG-SG 3.01Å; C58-M160 HydrophobicContact CB-CG 3.9Å; C58-Q163 PolarHBondContact SG-NE2 3.14Å
59G92.4Very high90Very high0 Ų027.3 Ų27.30%017%0.165CC..EExtended strand (participates in β ladder)trans-152.7120.8171.400000110.8G61 F62 Y155 C159G59-G61 PolarHBondContact O-N 2.77Å; G59-F62 PolarHBondContact N-O 3.31Å; G59-F62 WeakPolarHBondContact O-CA 3.45Å; G59-F62 VanDerWaalsContact O-CB 3.24Å; G59-F62 WeakPolarHBondContact O-CB 3.48Å; G59-F62 WeakPolarHBondContact O-CD2 3.42Å; G59-F62 PolarHBondContact O-N 3.1Å; G59-Y155 VanDerWaalsContact C-OH 3.26Å; G59-Y155 PolarHBondContact O-OH 3.02Å; G59-Y155 VanDerWaalsContact O-OH 3.11Å; G59-C159 PolarHBondContact N-SG 3.3Å
60G90.8Very high91Very high30 Ų3023.2 Ų23.231%0.30914%0.135SC..THydrogen-bonded Turntrans56.223177.700000116G88 N89 Y155G60-G88 CarbonylContact O-C 3.55Å; G60-G88 WeakPolarHBondContact O-CA 3.49Å; G60-N89 PolarHBondContact O-N 2.95Å; G60-Y155 VanDerWaalsContact CA-CE2 3.41Å; G60-Y155 VanDerWaalsContact N-CE2 3.29Å
61G91.9Very high91.7Very high40 Ų4022.4 Ų22.441%0.41213%0.132SC..THydrogen-bonded Turntrans98.3-18.5-172.800000114.5G59 V63 T86 V87G59-G61 PolarHBondContact O-N 2.77Å; G61-V63 PolarHBondContact O-N 2.89Å; G61-T86 PolarHBondContact O-OG1 2.81Å; G61-V87 CarbonylContact C-O 3.59Å
62F92.8Very high92.3Very high15 Ų1521.1 Ų21.17%0.06612%0.124CC..EExtended strand (participates in β ladder)trans-65.1130.1170.9-63.1-63.8000110.2F57 C58 G59 T86 G88 V133 L135F57-F62 HydrophobicContact CE2-CB 4.08Å; F57-F62 HydrophobicContact CZ-CB 4.34Å; C58-F62 CarbonylContact C-O 3.46Å; C58-F62 WeakPolarHBondContact CA-O 3.31Å; G59-F62 PolarHBondContact N-O 3.31Å; G59-F62 WeakPolarHBondContact O-CA 3.45Å; G59-F62 VanDerWaalsContact O-CB 3.24Å; G59-F62 WeakPolarHBondContact O-CB 3.48Å; G59-F62 WeakPolarHBondContact O-CD2 3.42Å; G59-F62 PolarHBondContact O-N 3.1Å; F62-T86 WeakPolarHBondContact CA-OG1 3.27Å; F62-T86 HydrophobicContact CD1-CG2 4.04Å; F62-G88 VanDerWaalsContact CE1-N 3.26Å; F62-G88 WeakPolarHBondContact CZ-O 3.48Å; F62-V133 HydrophobicContact CE1-CB 4.27Å; F62-V133 HydrophobicContact CE1-CG1 3.98Å; F62-V133 WeakPolarHBondContact CE1-O 3.38Å; F62-V133 HydrophobicContact CZ-CB 3.61Å; F62-V133 HydrophobicContact CZ-CG1 3.71Å; F62-V133 VanDerWaalsContact CZ-O 3.29Å; F62-V133 WeakPolarHBondContact CZ-O 3.42Å; F62-L135 HydrophobicContact CD1-CD1 3.97Å; F62-L135 HydrophobicContact CD1-CG 4.31Å; F62-L135 HydrophobicContact CE1-CD1 4.4Å; F62-L135 HydrophobicContact CE1-CG 4.28Å
63V94Very high92.5Very high63 Ų6324.3 Ų24.338%0.38214%0.141SC..EExtended strand (participates in β ladder)trans-122.5127.6170.9-177.70000108.3F57 G61 S82 T86F57-V63 WeakPolarHBondContact O-CA 3.19Å; G61-V63 PolarHBondContact O-N 2.89Å; V63-S82 WeakPolarHBondContact O-CB 2.84Å; V63-S82 PolarHBondContact O-OG 3.4Å; V63-T86 PolarHBondContact N-OG1 2.72Å
64G95.1Very high92.8Very high9 Ų926.7 Ų26.79%0.09316%0.159CC..EExtended strand (participates in β ladder)trans-175.1-152.8-175.900000113.6P56 F57 G81P56-G64 WeakPolarHBondContact CA-O 3.36Å; F57-G64 VanDerWaalsContact CD1-C 3.42Å; F57-G64 WeakPolarHBondContact CD1-O 3.42Å; F57-G64 PolarHBondContact N-O 2.85Å; F57-G64 PolarHBondContact O-N 2.9Å; G64-G81 CarbonylContact C-O 3.53Å; G64-G81 VanDerWaalsContact CA-O 3.3Å; G64-G81 WeakPolarHBondContact CA-O 3.32Å
65R94.7Very high92.9Very high107 Ų10727.4 Ų27.440%0.40416%0.163SC..EExtended strand (participates in β ladder)trans-124139.2175.8-68-175.2-179.91643.8110.7W54 L55 F57 I80 G81 W140W54-R65 HydrophobicContact CB-CB 4.24Å; W54-R65 HydrophobicContact CD2-CB 4.46Å; W54-R65 HydrophobicContact CE3-CB 3.88Å; L55-R65 CarbonylContact O-C 3.55Å; L55-R65 WeakPolarHBondContact O-CA 3.37Å; F57-R65 VanDerWaalsContact CD1-C 3.49Å; R65-I80 WeakPolarHBondContact O-CA 3.26Å; R65-G81 PolarHBondContact N-O 3.12Å; R65-G81 PolarHBondContact O-N 3.38Å; R65-W140 HydrophobicContact CB-CH2 4Å; R65-W140 HydrophobicContact CB-CZ3 4.08Å
66I94.9Very high93Very high9 Ų928.5 Ų28.55%0.04617%0.167CC..EExtended strand (participates in β ladder)trans-126.3135.9177.9-170.3164.2000110L55 F57 F68 A78 I79 I80 M156L55-I66 HydrophobicContact CB-CG2 3.98Å; L55-I66 HydrophobicContact CD2-CG2 3.95Å; L55-I66 PolarHBondContact N-O 2.7Å; L55-I66 PolarHBondContact O-N 2.99Å; F57-I66 HydrophobicContact CB-CG2 3.83Å; F57-I66 HydrophobicContact CD1-CB 3.66Å; F57-I66 HydrophobicContact CD1-CG2 3.8Å; F57-I66 HydrophobicContact CE1-CB 4.17Å; F57-I66 HydrophobicContact CG-CB 4.21Å; F57-I66 HydrophobicContact CG-CG2 3.97Å; I66-F68 HydrophobicContact CD1-CD2 4.43Å; I66-F68 HydrophobicContact CD1-CE1 3.85Å; I66-F68 HydrophobicContact CD1-CE2 3.71Å; I66-F68 HydrophobicContact CD1-CZ 3.39Å; I66-F68 HydrophobicContact CG1-CD2 4.24Å; I66-F68 HydrophobicContact CG1-CE2 3.92Å; I66-F68 HydrophobicContact CG1-CZ 4.09Å; I66-F68 HydrophobicContact CG2-CD2 4.47Å; I66-F68 HydrophobicContact CG2-CE2 3.92Å; I66-A78 HydrophobicContact CD1-CB 4.04Å; I66-A78 HydrophobicContact CG1-CB 4.04Å; I66-I79 CarbonylContact C-O 3.58Å; I66-I79 WeakPolarHBondContact CA-O 3.35Å; I66-I80 HydrophobicContact CD1-CB 4.39Å; I66-I80 HydrophobicContact CD1-CD1 4.44Å; I66-I80 HydrophobicContact CG1-CB 4.23Å; I66-M156 HydrophobicContact CD1-CE 4.08Å
67H93.6Very high93.1Very high7 Ų725.7 Ų25.73%0.03215%0.148CC..EExtended strand (participates in β ladder)trans-120.6112.9170.9174.460.8000108L32 F53 W54 A78 I79L32-H67 PolarHBondContact O-CE1 2.87Å; L32-H67 VanDerWaalsContact O-CE1 3.31Å; F53-H67 PolarHBondContact O-ND1 2.79Å; W54-H67 HydrophobicContact CD2-CB 4.02Å; W54-H67 HydrophobicContact CE3-CB 3.6Å; W54-H67 HydrophobicContact CH2-CB 4.08Å; W54-H67 HydrophobicContact CZ2-CB 4.43Å; W54-H67 HydrophobicContact CZ3-CB 3.62Å; H67-A78 CarbonylContact O-C 3.53Å; H67-A78 VanDerWaalsContact O-CA 3.3Å; H67-A78 WeakPolarHBondContact O-CA 3.34Å; H67-I79 PolarHBondContact N-O 2.96Å; H67-I79 PolarHBondContact O-N 2.89Å
68F93.4Very high93.2Very high27 Ų2725.2 Ų25.212%0.11815%0.146CC..EExtended strand (participates in β ladder)trans-82.4129.1175-71-82.6000110.1M30 I66 I71 A78 L172 V175M30-F68 HydrophobicContact CE-CB 3.95Å; M30-F68 HydrophobicContact SD-CB 3.83Å; I66-F68 HydrophobicContact CD1-CD2 4.43Å; I66-F68 HydrophobicContact CD1-CE1 3.85Å; I66-F68 HydrophobicContact CD1-CE2 3.71Å; I66-F68 HydrophobicContact CD1-CZ 3.39Å; I66-F68 HydrophobicContact CG1-CD2 4.24Å; I66-F68 HydrophobicContact CG1-CE2 3.92Å; I66-F68 HydrophobicContact CG1-CZ 4.09Å; I66-F68 HydrophobicContact CG2-CD2 4.47Å; I66-F68 HydrophobicContact CG2-CE2 3.92Å; F68-I71 HydrophobicContact CB-CD1 3.88Å; F68-I71 HydrophobicContact CB-CG1 4.03Å; F68-I71 HydrophobicContact CD1-CD1 3.53Å; F68-I71 HydrophobicContact CD1-CG1 3.52Å; F68-I71 HydrophobicContact CD2-CD1 4.14Å; F68-I71 HydrophobicContact CE1-CD1 4.01Å; F68-I71 HydrophobicContact CE1-CG1 4.18Å; F68-I71 HydrophobicContact CG-CD1 3.59Å; F68-I71 HydrophobicContact CG-CG1 3.94Å; F68-I71 HydrophobicContact CZ-CD1 4.5Å; F68-A78 HydrophobicContact CD1-CB 3.81Å; F68-A78 HydrophobicContact CE1-CB 4.1Å; F68-A78 HydrophobicContact CG-CB 4.46Å; F68-L172 HydrophobicContact CD2-CD1 4.48Å; F68-L172 HydrophobicContact CE2-CD1 3.45Å; F68-L172 VanDerWaalsContact CE2-CD1 3.45Å; F68-L172 HydrophobicContact CZ-CD1 3.9Å; F68-V175 HydrophobicContact CD2-CG1 4.5Å
69V93Very high93.4Very high1 Ų125.1 Ų25.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-98.6-37.4174.7-174.60000110.3L21 I29 M30 V77L21-V69 HydrophobicContact CD1-CB 4.32Å; L21-V69 HydrophobicContact CD1-CG1 3.67Å; I29-V69 HydrophobicContact CD1-CG1 4.3Å; I29-V69 HydrophobicContact CG2-CG1 4.13Å; M30-V69 PolarHBondContact N-O 2.68Å; V69-V77 HydrophobicContact CB-CB 4.36Å; V69-V77 HydrophobicContact CB-CG1 4.2Å; V69-V77 PolarHBondContact N-O 2.82Å
70H92.3Very high93.5Very high9 Ų926.4 Ų26.44%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-147.9139.4177.3175.370.9000110Y25 H28 S72 Y76 V77Y25-H70 AromaticContact CE1-CD2 3.91Å; Y25-H70 AromaticContact CE1-NE2 3.99Å; H28-H70 PolarHBondContact O-ND1 2.82Å; H70-S72 WeakPolarHBondContact NE2-CB 3.21Å; H70-S72 PolarHBondContact NE2-OG 2.9Å; H70-S72 VanDerWaalsContact NE2-OG 3.14Å; H70-Y76 CarbonylContact O-C 3.48Å; H70-Y76 WeakPolarHBondContact O-CA 3.46Å; H70-V77 HydrophobicContact CB-CB 4.08Å; H70-V77 HydrophobicContact CB-CG2 4.21Å; H70-V77 PolarHBondContact N-O 2.96Å; H70-V77 VanDerWaalsContact N-O 3.09Å; H70-V77 PolarHBondContact O-N 2.94Å
71I92.6Very high93.7Very high11 Ų1125 Ų256%0.05614%0.138CC..EExtended strand (participates in β ladder)trans-139.5125.3170.8-55.6172.3000106.5M30 F68 T149 V175 A176 S179M30-I71 HydrophobicContact SD-CD1 4.12Å; M30-I71 HydrophobicContact SD-CG1 3.99Å; F68-I71 HydrophobicContact CB-CD1 3.88Å; F68-I71 HydrophobicContact CB-CG1 4.03Å; F68-I71 HydrophobicContact CD1-CD1 3.53Å; F68-I71 HydrophobicContact CD1-CG1 3.52Å; F68-I71 HydrophobicContact CD2-CD1 4.14Å; F68-I71 HydrophobicContact CE1-CD1 4.01Å; F68-I71 HydrophobicContact CE1-CG1 4.18Å; F68-I71 HydrophobicContact CG-CD1 3.59Å; F68-I71 HydrophobicContact CG-CG1 3.94Å; F68-I71 HydrophobicContact CZ-CD1 4.5Å; I71-T149 HydrophobicContact CG2-CG2 4.14Å; I71-V175 HydrophobicContact CD1-CG1 4.19Å; I71-A176 HydrophobicContact CD1-CB 4.38Å; I71-S179 WeakPolarHBondContact O-CB 3.41Å
72S91.7Very high93.9Very high3 Ų323.2 Ų23.22%0.02112%0.119CC..  trans-130.2178.6169.955.80000110.7H70 S74 E75 T149 E183H70-S72 WeakPolarHBondContact NE2-CB 3.21Å; H70-S72 PolarHBondContact NE2-OG 2.9Å; H70-S72 VanDerWaalsContact NE2-OG 3.14Å; S72-S74 PolarHBondContact O-N 3.31Å; S72-E75 PolarHBondContact N-O 2.79Å; S72-E75 WeakPolarHBondContact OG-CA 3.4Å; S72-E75 WeakPolarHBondContact OG-CB 3.31Å; S72-E75 PolarHBondContact OG-N 2.8Å; S72-E75 PolarHBondContact OG-O 3.43Å; S72-T149 WeakPolarHBondContact O-CB 3.45Å; S72-T149 PolarHBondContact O-OG1 2.92Å; S72-E183 WeakPolarHBondContact CA-OE2 3.5Å; S72-E183 WeakPolarHBondContact CB-OE1 3.35Å; S72-E183 WeakPolarHBondContact CB-OE2 3.46Å
73L91.1Very high93.9Very high66 Ų6625.7 Ų25.735%0.34614%0.137SC..SBendtrans-62.5-31173.4-69.6177.4000113.2T149 P150 V180 E183L73-T149 PolarHBondContact O-N 3.48Å; L73-P150 HydrophobicContact CD2-CG 3.83Å; L73-P150 WeakPolarHBondContact O-CD 3.32Å; L73-V180 HydrophobicContact CD2-CG1 4.22Å; L73-V180 HydrophobicContact CG-CG1 4.49Å; L73-E183 PolarHBondContact N-OE2 2.84Å
74S92.5Very high94Very high59 Ų5926.9 Ų26.941%0.41314%0.144SC..SBendtrans-112-14.5-17354.50000115S72 R146 G147S72-S74 PolarHBondContact O-N 3.31Å; S74-R146 CarbonylContact O-C 3.07Å; S74-R146 VanDerWaalsContact O-CA 3.32Å; S74-R146 WeakPolarHBondContact O-CA 3.41Å; S74-G147 CarbonylContact C-O 3.5Å; S74-G147 WeakPolarHBondContact CA-O 3.33Å; S74-G147 PolarHBondContact O-N 3.43Å
75E93.7Very high94.1Very high38 Ų3831.6 Ų31.618%0.17816%0.162CC..EExtended strand (participates in β ladder)trans-143.9157.8-174.5-61.2-175.1122.800111.9S72 Y144 G145 R146 T149S72-E75 PolarHBondContact N-O 2.79Å; S72-E75 WeakPolarHBondContact OG-CA 3.4Å; S72-E75 WeakPolarHBondContact OG-CB 3.31Å; S72-E75 PolarHBondContact OG-N 2.8Å; S72-E75 PolarHBondContact OG-O 3.43Å; E75-Y144 HydrophobicContact CB-CE2 4.46Å; E75-Y144 PolarHBondContact OE1-OH 3.49Å; E75-G145 CarbonylContact C-O 3.49Å; E75-G145 VanDerWaalsContact CA-O 3.24Å; E75-G145 WeakPolarHBondContact CA-O 3.46Å; E75-R146 HydrophobicContact CG-CB 4.28Å; E75-R146 HydrophobicContact CG-CG 3.98Å; E75-R146 IonicContact OE1-NE 2.72Å; E75-T149 PolarHBondContact N-OG1 2.95Å; E75-T149 VanDerWaalsContact N-OG1 3.14Å; E75-T149 PolarHBondContact O-OG1 3.16Å
76Y94.3Very high94.1Very high30 Ų3027.2 Ų27.212%0.11815%0.147CC..EExtended strand (participates in β ladder)trans-145.6152.2165.278.3-88.7000111H70 A78 M95 H97 C143 Y144 G145 T149H70-Y76 CarbonylContact O-C 3.48Å; H70-Y76 WeakPolarHBondContact O-CA 3.46Å; Y76-A78 HydrophobicContact CD2-CB 4.13Å; Y76-A78 HydrophobicContact CE2-CB 4.34Å; Y76-M95 HydrophobicContact CD1-SD 3.95Å; Y76-M95 HydrophobicContact CE1-SD 3.55Å; Y76-M95 VanDerWaalsContact CE1-SD 3.55Å; Y76-H97 HydrophobicContact CE1-CB 4.36Å; Y76-H97 WeakPolarHBondContact OH-CB 3.3Å; Y76-C143 HydrophobicContact CE2-CB 4.19Å; Y76-Y144 WeakPolarHBondContact O-CA 3.47Å; Y76-Y144 WeakPolarHBondContact O-CD2 3.38Å; Y76-G145 VanDerWaalsContact CE1-CA 3.4Å; Y76-G145 PolarHBondContact N-O 2.95Å; Y76-G145 PolarHBondContact O-N 2.78Å; Y76-T149 HydrophobicContact CD1-CG2 4.32Å
77V95.2Very high94.2Very high2 Ų230.1 Ų30.11%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-131.6123.8169.8-175.50000108L21 Y25 V69 H70 F142 C143 Y144L21-V77 HydrophobicContact CD1-CG1 3.68Å; Y25-V77 HydrophobicContact CE2-CG2 4.48Å; V69-V77 HydrophobicContact CB-CB 4.36Å; V69-V77 HydrophobicContact CB-CG1 4.2Å; V69-V77 PolarHBondContact N-O 2.82Å; H70-V77 HydrophobicContact CB-CB 4.08Å; H70-V77 HydrophobicContact CB-CG2 4.21Å; H70-V77 PolarHBondContact N-O 2.96Å; H70-V77 VanDerWaalsContact N-O 3.09Å; H70-V77 PolarHBondContact O-N 2.94Å; V77-F142 HydrophobicContact CG1-CD2 4.34Å; V77-F142 HydrophobicContact CG1-CE2 3.32Å; V77-F142 HydrophobicContact CG1-CZ 3.65Å; V77-C143 WeakPolarHBondContact CA-O 3.43Å; V77-Y144 HydrophobicContact CG2-CD2 3.91Å
78A95Very high94.2Very high1 Ų130.2 Ų30.21%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-143.1150.9-179.300000111.5I66 H67 F68 Y76 C143I66-A78 HydrophobicContact CD1-CB 4.04Å; I66-A78 HydrophobicContact CG1-CB 4.04Å; H67-A78 CarbonylContact O-C 3.53Å; H67-A78 VanDerWaalsContact O-CA 3.3Å; H67-A78 WeakPolarHBondContact O-CA 3.34Å; F68-A78 HydrophobicContact CD1-CB 3.81Å; F68-A78 HydrophobicContact CE1-CB 4.1Å; F68-A78 HydrophobicContact CG-CB 4.46Å; Y76-A78 HydrophobicContact CD2-CB 4.13Å; Y76-A78 HydrophobicContact CE2-CB 4.34Å; A78-C143 PolarHBondContact N-O 2.81Å; A78-C143 PolarHBondContact O-N 3.08Å
79I95.7Very high94.2Very high0 Ų031.7 Ų31.70%018%0.177CC..EExtended strand (participates in β ladder)trans-104.2122.9165.8-55.4171.8000106.6L10 V14 I17 W54 I66 H67 L102 L141 F142L10-I79 HydrophobicContact CD1-CG2 4.42Å; V14-I79 HydrophobicContact CB-CD1 4.14Å; V14-I79 HydrophobicContact CG1-CD1 4.36Å; V14-I79 HydrophobicContact CG2-CD1 3.65Å; I17-I79 HydrophobicContact CD1-CD1 3.94Å; I17-I79 HydrophobicContact CD1-CG1 4.42Å; I17-I79 HydrophobicContact CG2-CD1 4.37Å; W54-I79 HydrophobicContact CH2-CB 4.13Å; W54-I79 HydrophobicContact CH2-CG2 3.68Å; W54-I79 HydrophobicContact CZ3-CB 4.34Å; W54-I79 HydrophobicContact CZ3-CG2 4.14Å; I66-I79 CarbonylContact C-O 3.58Å; I66-I79 WeakPolarHBondContact CA-O 3.35Å; H67-I79 PolarHBondContact N-O 2.96Å; H67-I79 PolarHBondContact O-N 2.89Å; I79-L102 HydrophobicContact CG2-CD1 4.01Å; I79-L141 CarbonylContact C-O 3.54Å; I79-L141 VanDerWaalsContact CA-O 3.28Å; I79-L141 WeakPolarHBondContact CA-O 3.24Å; I79-F142 HydrophobicContact CG1-CD2 4.24Å
80I95.5Very high94.2Very high28 Ų2832.1 Ų32.114%0.14418%0.18CC..EExtended strand (participates in β ladder)trans-133136.2-172.4172.9171.8000108.6F57 R65 I66 L141 C143F57-I80 HydrophobicContact CE1-CD1 3.76Å; F57-I80 HydrophobicContact CE1-CG1 3.52Å; F57-I80 HydrophobicContact CE2-CD1 3.59Å; F57-I80 HydrophobicContact CE2-CG1 4.3Å; F57-I80 HydrophobicContact CZ-CD1 3.15Å; F57-I80 HydrophobicContact CZ-CG1 3.38Å; R65-I80 WeakPolarHBondContact O-CA 3.26Å; I66-I80 HydrophobicContact CD1-CB 4.39Å; I66-I80 HydrophobicContact CD1-CD1 4.44Å; I66-I80 HydrophobicContact CG1-CB 4.23Å; I80-L141 HydrophobicContact CG2-CB 3.93Å; I80-L141 HydrophobicContact CG2-CD1 4.43Å; I80-L141 PolarHBondContact N-O 3.35Å; I80-L141 WeakPolarHBondContact O-CA 3.44Å; I80-L141 WeakPolarHBondContact O-CB 3.09Å; I80-L141 PolarHBondContact O-N 2.94Å; I80-C143 HydrophobicContact CG2-CB 4.21Å; I80-C143 WeakPolarHBondContact CG2-SG 3.3Å
81G95.3Very high94.1Very high0 Ų032.9 Ų32.90%019%0.188CC..EExtended strand (participates in β ladder)trans-169.5177.5177.400000112.6G64 R65 T139 W140G64-G81 CarbonylContact C-O 3.53Å; G64-G81 VanDerWaalsContact CA-O 3.3Å; G64-G81 WeakPolarHBondContact CA-O 3.32Å; R65-G81 PolarHBondContact N-O 3.12Å; R65-G81 PolarHBondContact O-N 3.38Å; G81-T139 CarbonylContact C-O 3.6Å; G81-T139 WeakPolarHBondContact CA-O 3.04Å; G81-W140 VanDerWaalsContact CA-CE3 3.47Å
82S95.7Very high94.2Very high2 Ų241.1 Ų41.11%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-140.2136.6176.1-163.50000110.5V63 V84 E138 T139V63-S82 WeakPolarHBondContact O-CB 2.84Å; V63-S82 PolarHBondContact O-OG 3.4Å; S82-V84 VanDerWaalsContact CB-O 3.26Å; S82-V84 WeakPolarHBondContact CB-O 3.33Å; S82-V84 PolarHBondContact O-N 3.09Å; S82-V84 WeakPolarHBondContact OG-CG2 3.33Å; S82-V84 PolarHBondContact OG-N 2.86Å; S82-V84 PolarHBondContact OG-O 3.1Å; S82-V84 VanDerWaalsContact OG-O 3.08Å; S82-E138 PolarHBondContact O-N 3.45Å; S82-T139 PolarHBondContact N-O 2.88Å; S82-T139 PolarHBondContact O-N 2.93Å
83P93.3Very high94.3Very high67 Ų6741.7 Ų41.744%0.43522%0.221SC..SBendtrans-69.2-23.6170.129.7-34.3000111.7E138P83-E138 PolarHBondContact O-N 2.99Å
84V95.1Very high94.4Very high88 Ų8844.9 Ų44.953%0.53323%0.229SC..SBendtrans-108.3153.3-179.4-62.80000110.6S82 T86S82-V84 VanDerWaalsContact CB-O 3.26Å; S82-V84 WeakPolarHBondContact CB-O 3.33Å; S82-V84 PolarHBondContact O-N 3.09Å; S82-V84 WeakPolarHBondContact OG-CG2 3.33Å; S82-V84 PolarHBondContact OG-N 2.86Å; S82-V84 PolarHBondContact OG-O 3.1Å; S82-V84 VanDerWaalsContact OG-O 3.08Å; V84-T86 PolarHBondContact O-N 2.83Å
85K96.7Very high94.5Very high108 Ų10842.1 Ų42.147%0.4721%0.209SC..  trans-60131.2172.2179.9169.8178.5158.50110.6E134 L135 E137K85-E134 WeakPolarHBondContact CE-OE1 3.33Å; K85-E134 IonicContact NZ-OE1 3.5Å; K85-E134 PolarHBondContact NZ-OE1 3.07Å; K85-L135 WeakPolarHBondContact CA-O 3.29Å; K85-E137 HydrophobicContact CB-CG 3.96Å
86T96.5Very high94.6Very high15 Ų1544 Ų449%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-144.1146179.9-176.70000110.7G61 F62 V63 V84 L135G61-T86 PolarHBondContact O-OG1 2.81Å; F62-T86 WeakPolarHBondContact CA-OG1 3.27Å; F62-T86 HydrophobicContact CD1-CG2 4.04Å; V63-T86 PolarHBondContact N-OG1 2.72Å; V84-T86 PolarHBondContact O-N 2.83Å; T86-L135 HydrophobicContact CG2-CB 3.79Å; T86-L135 HydrophobicContact CG2-CD1 3.82Å; T86-L135 HydrophobicContact CG2-CG 4.23Å; T86-L135 PolarHBondContact N-O 3.18Å; T86-L135 PolarHBondContact O-N 3.41Å
87V95.7Very high94.6Very high70 Ų7043.3 Ų43.342%0.42422%0.218SC..EExtended strand (participates in β ladder)trans-127.6140.1-179.2-178.70000108G61 I132 V133 E134G61-V87 CarbonylContact C-O 3.59Å; V87-I132 HydrophobicContact CG1-CG2 4.14Å; V87-V133 WeakPolarHBondContact CA-O 3.27Å; V87-E134 HydrophobicContact CG2-CB 3.91Å; V87-E134 HydrophobicContact CG2-CG 3.77Å
88G94.3Very high94.6Very high10 Ų1045 Ų4510%0.10323%0.23CC..EExtended strand (participates in β ladder)trans-162.6-173.1-179.400000112.5G60 F62 V133G60-G88 CarbonylContact O-C 3.55Å; G60-G88 WeakPolarHBondContact O-CA 3.49Å; F62-G88 VanDerWaalsContact CE1-N 3.26Å; F62-G88 WeakPolarHBondContact CZ-O 3.48Å; G88-V133 PolarHBondContact N-O 3.01Å; G88-V133 PolarHBondContact O-N 3.03Å
89N93.6Very high94.7Very high58 Ų5845.3 Ų45.331%0.3123%0.232SC..EExtended strand (participates in β ladder)trans-118.9134.2176.9-172.3-47.6000109.4G60 A91 S130 S131 Y155G60-N89 PolarHBondContact O-N 2.95Å; N89-A91 PolarHBondContact O-N 2.59Å; N89-A91 WeakPolarHBondContact OD1-CA 3.43Å; N89-A91 PolarHBondContact OD1-N 3.14Å; N89-S130 PolarHBondContact ND2-OG 2.94Å; N89-S130 PolarHBondContact OD1-OG 2.82Å; N89-S131 WeakPolarHBondContact CA-O 3.42Å; N89-Y155 WeakPolarHBondContact O-CE2 3.49Å; N89-Y155 PolarHBondContact O-OH 3.38Å
90T92.2Very high94.8Very high10 Ų1045.7 Ų45.76%0.06123%0.234CC..  trans-67.3-11.9-179.558.80000114.4F125 S131 V133T90-F125 HydrophobicContact CG2-CD1 3.84Å; T90-F125 HydrophobicContact CG2-CE1 3.63Å; T90-F125 HydrophobicContact CG2-CG 4.39Å; T90-F125 HydrophobicContact CG2-CZ 3.99Å; T90-S131 PolarHBondContact N-O 3.01Å; T90-S131 VanDerWaalsContact N-O 3.12Å; T90-S131 PolarHBondContact OG1-N 2.84Å; T90-V133 HydrophobicContact CG2-CB 4.33Å; T90-V133 HydrophobicContact CG2-CG2 3.85Å
91A91.3Very high94.9Very high25 Ų2544.3 Ų44.321%0.20723%0.227CC..  trans57.5168.7-17200000114.4N89 L93 Y155N89-A91 PolarHBondContact O-N 2.59Å; N89-A91 WeakPolarHBondContact OD1-CA 3.43Å; N89-A91 PolarHBondContact OD1-N 3.14Å; A91-L93 HydrophobicContact CB-CD2 4.48Å; A91-L93 PolarHBondContact O-N 3Å; A91-Y155 HydrophobicContact CB-CD2 3.27Å; A91-Y155 HydrophobicContact CB-CE2 3.39Å; A91-Y155 HydrophobicContact CB-CG 4.2Å
92R93.3Very high95Very high183 Ų18344.4 Ų44.469%0.69123%0.228SC*.  trans-89.682.5178.9-61.3-168.3180114.90.6110.3L128R92-L128 HydrophobicContact CB-CD2 4.31Å; R92-L128 VanDerWaalsContact CD-O 3.31Å; R92-L128 WeakPolarHBondContact CD-O 3.31Å; R92-L128 WeakPolarHBondContact CG-O 3.41Å
93L93.6Very high95Very high16 Ų1645.9 Ų45.98%0.08424%0.238CC..  trans-83.3149.9-177.5-59179.5000112A91 M95 L128 A152 Y155A91-L93 HydrophobicContact CB-CD2 4.48Å; A91-L93 PolarHBondContact O-N 3Å; L93-M95 HydrophobicContact CB-CE 4.42Å; L93-M95 HydrophobicContact CB-CG 3.84Å; L93-M95 HydrophobicContact CD1-CG 4.4Å; L93-M95 HydrophobicContact CD1-SD 4.33Å; L93-M95 PolarHBondContact O-N 2.05Å; L93-L128 PolarHBondContact O-N 2.9Å; L93-A152 HydrophobicContact CD1-CB 4.26Å; L93-A152 HydrophobicContact CD2-CB 4.16Å; L93-Y155 HydrophobicContact CD2-CG 4.3Å
94W94.4Very high95.1Very high133 Ų13344 Ų4450%0.50423%0.231SC..SBendtrans-80.138.7174.9-70.520.3000112.1L128 F148 M151W94-L128 VanDerWaalsContact CD1-CD2 3.48Å; W94-F148 HydrophobicContact CB-CB 4.42Å; W94-F148 HydrophobicContact CE3-CD1 4.12Å; W94-F148 PolarHBondContact O-N 2.99Å; W94-M151 HydrophobicContact CB-CB 4.23Å; W94-M151 HydrophobicContact CD2-CE 4.45Å; W94-M151 HydrophobicContact CD2-CG 4.24Å; W94-M151 HydrophobicContact CE3-CG 4.09Å; W94-M151 HydrophobicContact CG-CB 4.41Å; W94-M151 HydrophobicContact CG-CG 4.46Å
95M95Very high95.1Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-155.7147.8-177.666.9-16571.300110Y76 L93 Q127 R146 F148 T149 A152Y76-M95 HydrophobicContact CD1-SD 3.95Å; Y76-M95 HydrophobicContact CE1-SD 3.55Å; Y76-M95 VanDerWaalsContact CE1-SD 3.55Å; L93-M95 HydrophobicContact CB-CE 4.42Å; L93-M95 HydrophobicContact CB-CG 3.84Å; L93-M95 HydrophobicContact CD1-CG 4.4Å; L93-M95 HydrophobicContact CD1-SD 4.33Å; L93-M95 PolarHBondContact O-N 2.05Å; M95-Q127 WeakPolarHBondContact O-CA 3.44Å; M95-R146 WeakPolarHBondContact CA-O 3.37Å; M95-R146 WeakPolarHBondContact CB-O 3.31Å; M95-F148 VanDerWaalsContact CE-O 3.3Å; M95-F148 WeakPolarHBondContact CE-O 3.45Å; M95-T149 VanDerWaalsContact CE-CA 3.49Å; M95-A152 HydrophobicContact CE-CB 3.43Å; M95-A152 VanDerWaalsContact CE-CB 3.43Å; M95-A152 HydrophobicContact SD-CB 4.04Å
96N95.3Very high95.1Very high79 Ų7935.7 Ų35.742%0.42219%0.19SC..EExtended strand (participates in β ladder)trans-80136.3164.8-61.2-68.1000107.7A126 Q127 G145 R146N96-A126 WeakPolarHBondContact OD1-CA 3.46Å; N96-Q127 PolarHBondContact OD1-N 2.84Å; N96-G145 CarbonylContact O-C 3.49Å; N96-G145 WeakPolarHBondContact O-CA 3.47Å; N96-R146 PolarHBondContact N-O 3.47Å; N96-R146 PolarHBondContact O-N 2.91Å
97H94.5Very high95.1Very high14 Ų1436.2 Ų36.27%0.06519%0.192CC..EExtended strand (participates in β ladder)trans-136.6149.3172.862.7-83.8000111.5Y76 F125 Y144Y76-H97 HydrophobicContact CE1-CB 4.36Å; Y76-H97 WeakPolarHBondContact OH-CB 3.3Å; H97-F125 AromaticContact CD2-CD2 3.33Å; H97-F125 WeakPolarHBondContact CD2-CD2 3.42Å; H97-F125 AromaticContact CD2-CG 3.86Å; H97-F125 WeakPolarHBondContact CE1-CB 3.45Å; H97-F125 AromaticContact CE1-CG 3.91Å; H97-F125 PolarHBondContact N-O 2.78Å; H97-F125 VanDerWaalsContact NE2-CB 3.35Å; H97-F125 WeakPolarHBondContact NE2-CB 3.35Å; H97-F125 AromaticContact NE2-CD2 3.25Å; H97-F125 WeakPolarHBondContact NE2-CD2 3.13Å; H97-F125 AromaticContact NE2-CG 3.37Å; H97-F125 WeakPolarHBondContact NE2-CG 3.09Å; H97-F125 PolarHBondContact O-N 2.95Å; H97-F125 VanDerWaalsContact O-O 3.12Å; H97-Y144 CarbonylContact C-O 3.57Å; H97-Y144 WeakPolarHBondContact CA-O 3.33Å
98S95.2Very high95.1Very high37 Ų3735 Ų3526%0.25918%0.179SC..EExtended strand (participates in β ladder)trans-134.8131.7-179.9-62.80000108.6A123 R124 C143 Y144S98-A123 CarbonylContact C-O 3.54Å; S98-A123 VanDerWaalsContact CA-O 3.29Å; S98-A123 WeakPolarHBondContact CA-O 3.47Å; S98-R124 WeakPolarHBondContact OG-CG 3.29Å; S98-C143 WeakPolarHBondContact O-CA 3.35Å; S98-Y144 PolarHBondContact N-O 3.23Å; S98-Y144 PolarHBondContact O-N 3Å
99C96.4Very high95Very high8 Ų836.3 Ų36.35%0.05419%0.188CC..EExtended strand (participates in β ladder)trans-120.2119.2-179.2-66.80000109.8H122 A123 L141 F142 C143C99-H122 WeakPolarHBondContact O-CA 3.32Å; C99-A123 PolarHBondContact N-O 2.84Å; C99-A123 PolarHBondContact O-N 2.62Å; C99-L141 HydrophobicContact CB-CB 4.31Å; C99-L141 HydrophobicContact CB-CD1 4.09Å; C99-F142 CarbonylContact C-O 3.59Å; C99-F142 WeakPolarHBondContact CA-O 3.34Å; C99-C143 HydrophobicContact CB-CB 4.23Å; C99-C143 WeakPolarHBondContact CB-SG 3.25Å; C99-C143 WeakPolarHBondContact SG-CB 3.37Å; C99-C143 CovalentContact SG-SG 2.05Å; C99-C143 PolarHBondContact SG-SG 3.28Å
100T97.4Very high94.7Very high8 Ų836.3 Ų36.35%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-85131.1169.5-41.50000109.5E3 L102 K121 H122 L141 F142E3-T100 HydrophobicContact CG-CG2 4.45Å; T100-L102 PolarHBondContact O-N 3.5Å; T100-K121 WeakPolarHBondContact CA-O 2.97Å; T100-H122 WeakPolarHBondContact CB-ND1 3.5Å; T100-H122 WeakPolarHBondContact CG2-CE1 3.39Å; T100-H122 WeakPolarHBondContact CG2-ND1 3.31Å; T100-H122 PolarHBondContact OG1-CE1 2.96Å; T100-H122 PolarHBondContact OG1-ND1 3.36Å; T100-L141 CarbonylContact O-C 3.54Å; T100-L141 VanDerWaalsContact O-CA 3.27Å; T100-L141 WeakPolarHBondContact O-CA 3.42Å; T100-F142 PolarHBondContact N-O 2.91Å; T100-F142 PolarHBondContact O-N 3.31Å
101V97.7Very high94.3Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-72.6119.9171.9-175.70000109S103 L106 F117 P119 G120 K121 L141V101-S103 WeakPolarHBondContact CG1-O 3.44Å; V101-L106 HydrophobicContact CG2-CB 3.75Å; V101-L106 HydrophobicContact CG2-CD2 4.36Å; V101-F117 HydrophobicContact CG2-CB 3.83Å; V101-P119 HydrophobicContact CG1-CG 4.22Å; V101-P119 CarbonylContact O-C 3.54Å; V101-P119 WeakPolarHBondContact O-CA 3.38Å; V101-G120 PolarHBondContact O-N 2.72Å; V101-K121 PolarHBondContact N-O 3.12Å; V101-L141 HydrophobicContact CB-CD2 4.23Å; V101-L141 HydrophobicContact CG1-CD2 4.44Å; V101-L141 HydrophobicContact CG2-CD2 3.82Å
102L96.8Very high94Very high2 Ų248.9 Ų48.91%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-86.5-46.7174.2-63.6178.3000110.8A6 G7 I17 I79 T100 W140 F142A6-L102 CarbonylContact C-O 3.57Å; A6-L102 WeakPolarHBondContact CA-O 3.45Å; G7-L102 PolarHBondContact N-O 3.37Å; I17-L102 HydrophobicContact CD1-CD1 4.11Å; I17-L102 HydrophobicContact CD1-CD2 4.23Å; I79-L102 HydrophobicContact CG2-CD1 4.01Å; T100-L102 PolarHBondContact O-N 3.5Å; L102-W140 WeakPolarHBondContact CA-O 3.35Å; L102-W140 HydrophobicContact CB-CB 4.4Å; L102-W140 WeakPolarHBondContact CB-O 3.29Å; L102-W140 PolarHBondContact N-O 2.96Å; L102-F142 HydrophobicContact CD1-CB 4.09Å; L102-F142 HydrophobicContact CD2-CB 3.93Å; L102-F142 HydrophobicContact CG-CB 4Å
103S96Very high93.8Very high32 Ų3247.1 Ų47.122%0.22426%0.258CS..EExtended strand (participates in β ladder)trans-148.6166.4177.168.40000109.9V101 E138 T139 W140V101-S103 WeakPolarHBondContact CG1-O 3.44Å; S103-E138 PolarHBondContact OG-O 3.48Å; S103-E138 VanDerWaalsContact OG-O 3.05Å; S103-T139 WeakPolarHBondContact O-CA 3.01Å; S103-W140 PolarHBondContact N-O 3.28Å; S103-W140 PolarHBondContact O-N 3.4Å; S103-W140 VanDerWaalsContact O-N 3.13Å; S103-W140 VanDerWaalsContact OG-CD1 3.27Å
104G95.7Very high93.7Very high29 Ų2952 Ų5230%0.29928%0.278SS..SBendtrans70.4-144.6-175.400000111.5P119G104-P119 VanDerWaalsContact O-CD 3.29Å; G104-P119 WeakPolarHBondContact O-CD 3.48Å; G104-P119 WeakPolarHBondContact O-CG 3.43Å
105S96.4Very high93.8Very high19 Ų1948.5 Ų48.513%0.13327%0.27CS..  trans-154.3148.9176.854.20000112F117 N136 T139S105-F117 WeakPolarHBondContact CA-O 3.42Å; S105-N136 PolarHBondContact O-N 2.77Å; S105-N136 VanDerWaalsContact O-N 3.08Å; S105-N136 PolarHBondContact OG-ND2 2.94Å; S105-T139 PolarHBondContact N-OG1 3.43Å; S105-T139 WeakPolarHBondContact O-CG2 3.35Å; S105-T139 PolarHBondContact O-OG1 3.46Å; S105-T139 VanDerWaalsContact O-OG1 3.05Å
106L96.7Very high93.8Very high1 Ų152.3 Ų52.31%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-117128.5-178.3172.783.3000108.3V101 F117 A123 V133 L135 L141V101-L106 HydrophobicContact CG2-CB 3.75Å; V101-L106 HydrophobicContact CG2-CD2 4.36Å; L106-F117 HydrophobicContact CB-CB 4.15Å; L106-F117 HydrophobicContact CD2-CB 4.33Å; L106-F117 HydrophobicContact CD2-CD2 4.04Å; L106-F117 HydrophobicContact CD2-CG 4.34Å; L106-F117 HydrophobicContact CG-CD2 4.32Å; L106-F117 PolarHBondContact N-O 2.87Å; L106-F117 PolarHBondContact O-N 3.37Å; L106-A123 HydrophobicContact CD2-CB 3.41Å; L106-A123 VanDerWaalsContact CD2-CB 3.41Å; L106-V133 HydrophobicContact CD1-CG1 3.22Å; L106-V133 HydrophobicContact CG-CG1 4.23Å; L106-L135 HydrophobicContact CD1-CD2 3.31Å; L106-L135 HydrophobicContact CD1-CG 4.34Å; L106-L141 HydrophobicContact CB-CD2 4.36Å; L106-L141 HydrophobicContact CD1-CD1 4.19Å
107E96.2Very high93.9Very high27 Ų2749.8 Ų49.813%0.12628%0.275CS..EExtended strand (participates in β ladder)trans-113.4131.2173.8-58.7-173.9134.400109.4K114 D115 N116 V133 E134E107-K114 WeakPolarHBondContact OE1-CE 3.5Å; E107-K114 IonicContact OE1-NZ 3.16Å; E107-K114 PolarHBondContact OE1-NZ 3.4Å; E107-K114 WeakPolarHBondContact OE2-CE 3.32Å; E107-K114 IonicContact OE2-NZ 3.64Å; E107-K114 PolarHBondContact OE2-NZ 3.25Å; E107-D115 CarbonylContact C-O 3.58Å; E107-D115 VanDerWaalsContact CA-O 3.32Å; E107-D115 WeakPolarHBondContact CA-O 3.39Å; E107-N116 HydrophobicContact CG-CB 4.46Å; E107-N116 PolarHBondContact OE1-ND2 3.3Å; E107-N116 VanDerWaalsContact OE1-ND2 3.1Å; E107-V133 CarbonylContact O-C 3.53Å; E107-V133 VanDerWaalsContact O-CA 3.29Å; E107-V133 WeakPolarHBondContact O-CA 3.35Å; E107-E134 HydrophobicContact CB-CB 4.24Å; E107-E134 PolarHBondContact N-O 3.46Å; E107-E134 PolarHBondContact O-N 3.26Å
108R95.5Very high94Very high43 Ų4353.6 Ų53.616%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-116.4131.4177.6-177.5-178.563.7163.76.9108.7D110 K114 D115 F117 R124 F125 I132 V133R108-D110 WeakPolarHBondContact CD-OD2 3.27Å; R108-D110 IonicContact CZ-OD2 3.49Å; R108-D110 VanDerWaalsContact CZ-OD2 3.25Å; R108-D110 IonicContact NE-OD2 3.55Å; R108-D110 PolarHBondContact NE-OD2 2.81Å; R108-D110 VanDerWaalsContact NE-OD2 3.16Å; R108-D110 IonicContact NH1-OD2 2.62Å; R108-D110 IonicContact NH2-OD2 3.81Å; R108-K114 CarbonylContact O-C 3.52Å; R108-K114 WeakPolarHBondContact O-CA 3.22Å; R108-D115 HydrophobicContact CB-CB 4.46Å; R108-D115 IonicContact CZ-OD2 3.31Å; R108-D115 PolarHBondContact N-O 2.58Å; R108-D115 IonicContact NE-OD2 2.59Å; R108-D115 IonicContact NH2-OD2 3.72Å; R108-D115 PolarHBondContact NH2-OD2 3.03Å; R108-D115 PolarHBondContact O-N 2.79Å; R108-F117 HydrophobicContact CB-CE2 3.77Å; R108-R124 PolarHBondContact NH1-O 3.49Å; R108-F125 HydrophobicContact CG-CE1 4.29Å; R108-I132 WeakPolarHBondContact CA-O 3.18Å; R108-V133 HydrophobicContact CB-CG2 4.12Å; R108-V133 HydrophobicContact CG-CG2 3.96Å
109S92.8Very high94Very high39 Ų3954.4 Ų54.427%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-116110.1176.4-60.60000109.6Q113 I132S109-Q113 WeakPolarHBondContact CA-O 3.49Å; S109-I132 PolarHBondContact N-O 3.03Å; S109-I132 PolarHBondContact O-N 2.87Å
110D87.2Confident94Very high58 Ų5854.9 Ų54.931%0.3130%0.304SS..EExtended strand (participates in β ladder)trans-109.8102.5174.2-68.5-34.1000108.3R108 F112 Q113 S131R108-D110 WeakPolarHBondContact CD-OD2 3.27Å; R108-D110 IonicContact CZ-OD2 3.49Å; R108-D110 VanDerWaalsContact CZ-OD2 3.25Å; R108-D110 IonicContact NE-OD2 3.55Å; R108-D110 PolarHBondContact NE-OD2 2.81Å; R108-D110 VanDerWaalsContact NE-OD2 3.16Å; R108-D110 IonicContact NH1-OD2 2.62Å; R108-D110 IonicContact NH2-OD2 3.81Å; D110-F112 PolarHBondContact O-N 2.82Å; D110-Q113 PolarHBondContact N-O 3.16Å; D110-Q113 PolarHBondContact O-N 3.06Å; D110-S131 WeakPolarHBondContact OD1-CB 3.24Å; D110-S131 PolarHBondContact OD1-OG 3.3Å
111G83.6Confident93.9Very high76 Ų7660.7 Ų60.778%0.78433%0.329SS*.THydrogen-bonded Turntrans65.1-116.4-172.600000112
112F83.8Confident93.8Very high222 Ų22263.7 Ų63.797%0.97434%0.342SS*.THydrogen-bonded Turntrans-99.3-4.5178.5-61.3-74.4000113.6D110D110-F112 PolarHBondContact O-N 2.82Å
113Q88.8Confident93.7Very high147 Ų14763.6 Ų63.669%0.68734%0.342SS*.EExtended strand (participates in β ladder)trans-93.6137.6179.5-68.5-176.5-20.900109.9S109 D110S109-Q113 WeakPolarHBondContact CA-O 3.49Å; D110-Q113 PolarHBondContact N-O 3.16Å; D110-Q113 PolarHBondContact O-N 3.06Å
114K92.7Very high93.7Very high117 Ų11770.9 Ų70.951%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-119.4115.2177.9-171.3178.7-176.3-176.50109.1E107 R108E107-K114 WeakPolarHBondContact OE1-CE 3.5Å; E107-K114 IonicContact OE1-NZ 3.16Å; E107-K114 PolarHBondContact OE1-NZ 3.4Å; E107-K114 WeakPolarHBondContact OE2-CE 3.32Å; E107-K114 IonicContact OE2-NZ 3.64Å; E107-K114 PolarHBondContact OE2-NZ 3.25Å; R108-K114 CarbonylContact O-C 3.52Å; R108-K114 WeakPolarHBondContact O-CA 3.22Å
115D95.5Very high93.6Very high61 Ų6170 Ų7033%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-97136.2173.9-66.2-33.3000109.6E107 R108 F117E107-D115 CarbonylContact C-O 3.58Å; E107-D115 VanDerWaalsContact CA-O 3.32Å; E107-D115 WeakPolarHBondContact CA-O 3.39Å; R108-D115 HydrophobicContact CB-CB 4.46Å; R108-D115 IonicContact CZ-OD2 3.31Å; R108-D115 PolarHBondContact N-O 2.58Å; R108-D115 IonicContact NE-OD2 2.59Å; R108-D115 IonicContact NH2-OD2 3.72Å; R108-D115 PolarHBondContact NH2-OD2 3.03Å; R108-D115 PolarHBondContact O-N 2.79Å; D115-F117 HydrophobicContact CB-CD2 4.47Å; D115-F117 HydrophobicContact CB-CE2 3.61Å; D115-F117 HydrophobicContact CB-CZ 3.85Å
116N96Very high93.5Very high79 Ų7971.1 Ų71.142%0.42236%0.363SS..EExtended strand (participates in β ladder)trans-114.1126.2175.6-173.9-47.8000109.8E107 Q118E107-N116 HydrophobicContact CG-CB 4.46Å; E107-N116 PolarHBondContact OE1-ND2 3.3Å; E107-N116 VanDerWaalsContact OE1-ND2 3.1Å; N116-Q118 PolarHBondContact OD1-NE2 3.13Å
117F96.9Very high93.4Very high26 Ų2675.5 Ų75.511%0.11438%0.383CS..EExtended strand (participates in β ladder)trans-111.7116.6179.5-56.4-92.1000109.4V101 S105 L106 R108 D115 K121 H122 A123V101-F117 HydrophobicContact CG2-CB 3.83Å; S105-F117 WeakPolarHBondContact CA-O 3.42Å; L106-F117 HydrophobicContact CB-CB 4.15Å; L106-F117 HydrophobicContact CD2-CB 4.33Å; L106-F117 HydrophobicContact CD2-CD2 4.04Å; L106-F117 HydrophobicContact CD2-CG 4.34Å; L106-F117 HydrophobicContact CG-CD2 4.32Å; L106-F117 PolarHBondContact N-O 2.87Å; L106-F117 PolarHBondContact O-N 3.37Å; R108-F117 HydrophobicContact CB-CE2 3.77Å; D115-F117 HydrophobicContact CB-CD2 4.47Å; D115-F117 HydrophobicContact CB-CE2 3.61Å; D115-F117 HydrophobicContact CB-CZ 3.85Å; F117-K121 HydrophobicContact CB-CB 4.13Å; F117-K121 HydrophobicContact CD1-CB 4.12Å; F117-H122 WeakPolarHBondContact CD1-O 3.47Å; F117-H122 WeakPolarHBondContact CE1-O 3.46Å; F117-A123 HydrophobicContact CD1-CB 4.23Å; F117-A123 HydrophobicContact CD2-CB 4.09Å; F117-A123 HydrophobicContact CE1-CB 4.08Å; F117-A123 HydrophobicContact CE2-CB 3.94Å; F117-A123 HydrophobicContact CG-CB 4.24Å; F117-A123 HydrophobicContact CZ-CB 3.94Å
118Q96.2Very high93.3Very high95 Ų9578.2 Ų78.244%0.44440%0.399SS..  trans-91.1167.1175.1-65.8-62.7-36.300110.9N116 G120 K121N116-Q118 PolarHBondContact OD1-NE2 3.13Å; Q118-G120 PolarHBondContact O-N 3.47Å; Q118-K121 VanDerWaalsContact O-CB 3.25Å; Q118-K121 WeakPolarHBondContact O-CB 3.41Å; Q118-K121 WeakPolarHBondContact O-CG 3.47Å; Q118-K121 PolarHBondContact O-N 3.27Å
119P96.4Very high93.1Very high54 Ų5480.7 Ų80.735%0.35142%0.415SS..THydrogen-bonded Turntrans-49.5131.5177.9-29.838.4000112.5A6 V101 G104 K121A6-P119 HydrophobicContact CB-CB 4.34Å; V101-P119 HydrophobicContact CG1-CG 4.22Å; V101-P119 CarbonylContact O-C 3.54Å; V101-P119 WeakPolarHBondContact O-CA 3.38Å; G104-P119 VanDerWaalsContact O-CD 3.29Å; G104-P119 WeakPolarHBondContact O-CD 3.48Å; G104-P119 WeakPolarHBondContact O-CG 3.43Å; P119-K121 VanDerWaalsContact C-N 3.33Å
120G95.2Very high93.1Very high18 Ų1880.9 Ų80.919%0.18642%0.416CS..THydrogen-bonded Turntrans88.1-10.3-175.600000114.5A6 V101 Q118A6-G120 VanDerWaalsContact CB-N 3.27Å; V101-G120 PolarHBondContact O-N 2.72Å; Q118-G120 PolarHBondContact O-N 3.47Å
121K96.6Very high93.4Very high129 Ų12978.4 Ų78.456%0.56140%0.404SS*.  trans-85.9156.2171.5-58.1-60.7-175.7-179.10111.3T100 V101 F117 Q118 P119T100-K121 WeakPolarHBondContact CA-O 2.97Å; V101-K121 PolarHBondContact N-O 3.12Å; F117-K121 HydrophobicContact CB-CB 4.13Å; F117-K121 HydrophobicContact CD1-CB 4.12Å; Q118-K121 VanDerWaalsContact O-CB 3.25Å; Q118-K121 WeakPolarHBondContact O-CB 3.41Å; Q118-K121 WeakPolarHBondContact O-CG 3.47Å; Q118-K121 PolarHBondContact O-N 3.27Å; P119-K121 VanDerWaalsContact C-N 3.33Å
122H95Very high93.9Very high63 Ų6379.3 Ų79.329%0.29239%0.389SS..EExtended strand (participates in β ladder)trans-117.1127.2-179.6-50-88.5000110.9E3 C99 T100 F117E3-H122 VanDerWaalsContact CD-NE2 3.26Å; E3-H122 VanDerWaalsContact CG-CE1 3.46Å; E3-H122 WeakPolarHBondContact CG-CE1 3.46Å; E3-H122 WeakPolarHBondContact CG-NE2 3.35Å; E3-H122 IonicContact OE1-CD2 2.68Å; E3-H122 PolarHBondContact OE1-CD2 3.06Å; E3-H122 IonicContact OE1-CE1 3.47Å; E3-H122 IonicContact OE1-NE2 2.74Å; E3-H122 PolarHBondContact OE1-NE2 2.55Å; C99-H122 WeakPolarHBondContact O-CA 3.32Å; T100-H122 WeakPolarHBondContact CB-ND1 3.5Å; T100-H122 WeakPolarHBondContact CG2-CE1 3.39Å; T100-H122 WeakPolarHBondContact CG2-ND1 3.31Å; T100-H122 PolarHBondContact OG1-CE1 2.96Å; T100-H122 PolarHBondContact OG1-ND1 3.36Å; F117-H122 WeakPolarHBondContact CD1-O 3.47Å; F117-H122 WeakPolarHBondContact CE1-O 3.46Å
123A95Very high94.5Very high0 Ų069 Ų690%034%0.344CS..EExtended strand (participates in β ladder)trans-89.6129.7161.300000108.9S98 C99 L106 F117 F125S98-A123 CarbonylContact C-O 3.54Å; S98-A123 VanDerWaalsContact CA-O 3.29Å; S98-A123 WeakPolarHBondContact CA-O 3.47Å; C99-A123 PolarHBondContact N-O 2.84Å; C99-A123 PolarHBondContact O-N 2.62Å; L106-A123 HydrophobicContact CD2-CB 3.41Å; L106-A123 VanDerWaalsContact CD2-CB 3.41Å; F117-A123 HydrophobicContact CD1-CB 4.23Å; F117-A123 HydrophobicContact CD2-CB 4.09Å; F117-A123 HydrophobicContact CE1-CB 4.08Å; F117-A123 HydrophobicContact CE2-CB 3.94Å; F117-A123 HydrophobicContact CG-CB 4.24Å; F117-A123 HydrophobicContact CZ-CB 3.94Å; A123-F125 HydrophobicContact CB-CE2 3.72Å; A123-F125 HydrophobicContact CB-CZ 3.71Å
124R95Very high94.8Very high185 Ų18563.8 Ų63.870%0.69832%0.32SS*.EExtended strand (participates in β ladder)trans-109.5137174.6-62-165.3172.8157.9-0.9109.5S98 R108S98-R124 WeakPolarHBondContact OG-CG 3.29Å; R108-R124 PolarHBondContact NH1-O 3.49Å
125F94Very high95Very high11 Ų1158.5 Ų58.55%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-125.6116.2177.7-53.7-82.4000107.4T90 H97 R108 A123 V133T90-F125 HydrophobicContact CG2-CD1 3.84Å; T90-F125 HydrophobicContact CG2-CE1 3.63Å; T90-F125 HydrophobicContact CG2-CG 4.39Å; T90-F125 HydrophobicContact CG2-CZ 3.99Å; H97-F125 AromaticContact CD2-CD2 3.33Å; H97-F125 WeakPolarHBondContact CD2-CD2 3.42Å; H97-F125 AromaticContact CD2-CG 3.86Å; H97-F125 WeakPolarHBondContact CE1-CB 3.45Å; H97-F125 AromaticContact CE1-CG 3.91Å; H97-F125 PolarHBondContact N-O 2.78Å; H97-F125 VanDerWaalsContact NE2-CB 3.35Å; H97-F125 WeakPolarHBondContact NE2-CB 3.35Å; H97-F125 AromaticContact NE2-CD2 3.25Å; H97-F125 WeakPolarHBondContact NE2-CD2 3.13Å; H97-F125 AromaticContact NE2-CG 3.37Å; H97-F125 WeakPolarHBondContact NE2-CG 3.09Å; H97-F125 PolarHBondContact O-N 2.95Å; H97-F125 VanDerWaalsContact O-O 3.12Å; R108-F125 HydrophobicContact CG-CE1 4.29Å; A123-F125 HydrophobicContact CB-CE2 3.72Å; A123-F125 HydrophobicContact CB-CZ 3.71Å; F125-V133 HydrophobicContact CE1-CG2 3.74Å; F125-V133 HydrophobicContact CZ-CG2 3.84Å
126A94.2Very high95Very high43 Ų4357.1 Ų57.136%0.35529%0.29SS..  trans-74160.9179.100000110.6N96 L128 D129N96-A126 WeakPolarHBondContact OD1-CA 3.46Å; A126-L128 PolarHBondContact O-N 2.86Å; A126-D129 HydrophobicContact CB-CB 4.35Å; A126-D129 WeakPolarHBondContact CB-OD2 3.29Å; A126-D129 WeakPolarHBondContact O-CB 3.18Å; A126-D129 PolarHBondContact O-N 2.92Å; A126-D129 VanDerWaalsContact O-N 3.14Å
127Q94.6Very high95Very high92 Ų9259.9 Ų59.943%0.4330%0.3SS..THydrogen-bonded Turntrans-55.9133.6173.6173.9168.58.200110.6M95 N96 D129M95-Q127 WeakPolarHBondContact O-CA 3.44Å; N96-Q127 PolarHBondContact OD1-N 2.84Å; Q127-D129 PolarHBondContact O-N 2.86Å; Q127-D129 VanDerWaalsContact O-N 3.15Å
128L93.6Very high94.9Very high85 Ų8565.2 Ų65.245%0.44533%0.326SS..THydrogen-bonded Turntrans62.75.3-177.5-58.1173000115.9R92 L93 W94 A126R92-L128 HydrophobicContact CB-CD2 4.31Å; R92-L128 VanDerWaalsContact CD-O 3.31Å; R92-L128 WeakPolarHBondContact CD-O 3.31Å; R92-L128 WeakPolarHBondContact CG-O 3.41Å; L93-L128 PolarHBondContact O-N 2.9Å; W94-L128 VanDerWaalsContact CD1-CD2 3.48Å; A126-L128 PolarHBondContact O-N 2.86Å
129D91.9Very high94.9Very high94 Ų9460.7 Ų60.750%0.50331%0.305SS..  trans-82.9151.5168.8-80.5-12.8000111A126 Q127A126-D129 HydrophobicContact CB-CB 4.35Å; A126-D129 WeakPolarHBondContact CB-OD2 3.29Å; A126-D129 WeakPolarHBondContact O-CB 3.18Å; A126-D129 PolarHBondContact O-N 2.92Å; A126-D129 VanDerWaalsContact O-N 3.14Å; Q127-D129 PolarHBondContact O-N 2.86Å; Q127-D129 VanDerWaalsContact O-N 3.15Å
130S92.2Very high94.9Very high43 Ų4359.5 Ų59.530%0.30129%0.293SS..  trans-137.7125.7-179162.60000108.1N89N89-S130 PolarHBondContact ND2-OG 2.94Å; N89-S130 PolarHBondContact OD1-OG 2.82Å
131S93.8Very high95Very high7 Ų759.2 Ų59.25%0.04929%0.287CS..  trans-124.4147179.4-60.10000109.5N89 T90 D110N89-S131 WeakPolarHBondContact CA-O 3.42Å; T90-S131 PolarHBondContact N-O 3.01Å; T90-S131 VanDerWaalsContact N-O 3.12Å; T90-S131 PolarHBondContact OG1-N 2.84Å; D110-S131 WeakPolarHBondContact OD1-CB 3.24Å; D110-S131 PolarHBondContact OD1-OG 3.3Å
132I94.9Very high95Very high94 Ų9453.8 Ų53.848%0.48226%0.264SS..EExtended strand (participates in β ladder)trans-79129.5165.3-59.9176.7000106.5V87 R108 S109V87-I132 HydrophobicContact CG1-CG2 4.14Å; R108-I132 WeakPolarHBondContact CA-O 3.18Å; S109-I132 PolarHBondContact N-O 3.03Å; S109-I132 PolarHBondContact O-N 2.87Å
133V95.5Very high95.1Very high5 Ų551 Ų513%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-131.7139.5-176.9162.10000109.2F62 V87 G88 T90 L106 E107 R108 F125F62-V133 HydrophobicContact CE1-CB 4.27Å; F62-V133 HydrophobicContact CE1-CG1 3.98Å; F62-V133 WeakPolarHBondContact CE1-O 3.38Å; F62-V133 HydrophobicContact CZ-CB 3.61Å; F62-V133 HydrophobicContact CZ-CG1 3.71Å; F62-V133 VanDerWaalsContact CZ-O 3.29Å; F62-V133 WeakPolarHBondContact CZ-O 3.42Å; V87-V133 WeakPolarHBondContact CA-O 3.27Å; G88-V133 PolarHBondContact N-O 3.01Å; G88-V133 PolarHBondContact O-N 3.03Å; T90-V133 HydrophobicContact CG2-CB 4.33Å; T90-V133 HydrophobicContact CG2-CG2 3.85Å; L106-V133 HydrophobicContact CD1-CG1 3.22Å; L106-V133 HydrophobicContact CG-CG1 4.23Å; E107-V133 CarbonylContact O-C 3.53Å; E107-V133 VanDerWaalsContact O-CA 3.29Å; E107-V133 WeakPolarHBondContact O-CA 3.35Å; R108-V133 HydrophobicContact CB-CG2 4.12Å; R108-V133 HydrophobicContact CG-CG2 3.96Å; F125-V133 HydrophobicContact CE1-CG2 3.74Å; F125-V133 HydrophobicContact CZ-CG2 3.84Å
134E95.9Very high95.1Very high39 Ų3954.6 Ų54.618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-121.4119.2179171.7170.6158.500108.3K85 V87 E107K85-E134 WeakPolarHBondContact CE-OE1 3.33Å; K85-E134 IonicContact NZ-OE1 3.5Å; K85-E134 PolarHBondContact NZ-OE1 3.07Å; V87-E134 HydrophobicContact CG2-CB 3.91Å; V87-E134 HydrophobicContact CG2-CG 3.77Å; E107-E134 HydrophobicContact CB-CB 4.24Å; E107-E134 PolarHBondContact N-O 3.46Å; E107-E134 PolarHBondContact O-N 3.26Å
135L96.6Very high95.2Very high5 Ų545.9 Ų45.93%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-92.9118.9169.7-62.6174.4000107.3F62 K85 T86 L106 T139 L141F62-L135 HydrophobicContact CD1-CD1 3.97Å; F62-L135 HydrophobicContact CD1-CG 4.31Å; F62-L135 HydrophobicContact CE1-CD1 4.4Å; F62-L135 HydrophobicContact CE1-CG 4.28Å; K85-L135 WeakPolarHBondContact CA-O 3.29Å; T86-L135 HydrophobicContact CG2-CB 3.79Å; T86-L135 HydrophobicContact CG2-CD1 3.82Å; T86-L135 HydrophobicContact CG2-CG 4.23Å; T86-L135 PolarHBondContact N-O 3.18Å; T86-L135 PolarHBondContact O-N 3.41Å; L106-L135 HydrophobicContact CD1-CD2 3.31Å; L106-L135 HydrophobicContact CD1-CG 4.34Å; L135-T139 HydrophobicContact CB-CG2 4.5Å; L135-T139 HydrophobicContact CD2-CG2 3.74Å; L135-L141 HydrophobicContact CD2-CD1 3.72Å; L135-L141 HydrophobicContact CD2-CD2 4.38Å; L135-L141 HydrophobicContact CD2-CG 4.14Å
136N96.2Very high95.2Very high32 Ų3252.8 Ų52.817%0.17126%0.259CS..PPolyproline II helixtrans-70.3170.9171-73.7-53.8000110.7S105 T139S105-N136 PolarHBondContact O-N 2.77Å; S105-N136 VanDerWaalsContact O-N 3.08Å; S105-N136 PolarHBondContact OG-ND2 2.94Å; N136-T139 VanDerWaalsContact C-OG1 3.3Å; N136-T139 PolarHBondContact N-OG1 2.97Å; N136-T139 WeakPolarHBondContact O-CB 3.38Å; N136-T139 PolarHBondContact O-N 3.34Å; N136-T139 PolarHBondContact O-OG1 3.48Å
137E94.8Very high95.3Very high137 Ų13751.9 Ų51.964%0.6425%0.254SS*.THydrogen-bonded Turntrans-55.1146.6177.8-62.7-178.5178.300111.8K85 T139K85-E137 HydrophobicContact CB-CG 3.96Å; E137-T139 PolarHBondContact O-N 3.23Å; E137-T139 VanDerWaalsContact O-N 3.09Å; E137-T139 PolarHBondContact O-OG1 3.03Å
138E94.5Very high95.2Very high139 Ų13952.1 Ų52.165%0.6525%0.253SS*.THydrogen-bonded Turntrans51.931.2-179.5-55.1-168.8152.500115S82 P83 S103S82-E138 PolarHBondContact O-N 3.45Å; P83-E138 PolarHBondContact O-N 2.99Å; S103-E138 PolarHBondContact OG-O 3.48Å; S103-E138 VanDerWaalsContact OG-O 3.05Å
139T97Very high95.1Very high0 Ų048.7 Ų48.70%024%0.236CC..EExtended strand (participates in β ladder)trans-87.9124179.1-59.10000111.1G81 S82 S103 S105 L135 N136 E137 L141G81-T139 CarbonylContact C-O 3.6Å; G81-T139 WeakPolarHBondContact CA-O 3.04Å; S82-T139 PolarHBondContact N-O 2.88Å; S82-T139 PolarHBondContact O-N 2.93Å; S103-T139 WeakPolarHBondContact O-CA 3.01Å; S105-T139 PolarHBondContact N-OG1 3.43Å; S105-T139 WeakPolarHBondContact O-CG2 3.35Å; S105-T139 PolarHBondContact O-OG1 3.46Å; S105-T139 VanDerWaalsContact O-OG1 3.05Å; L135-T139 HydrophobicContact CB-CG2 4.5Å; L135-T139 HydrophobicContact CD2-CG2 3.74Å; N136-T139 VanDerWaalsContact C-OG1 3.3Å; N136-T139 PolarHBondContact N-OG1 2.97Å; N136-T139 WeakPolarHBondContact O-CB 3.38Å; N136-T139 PolarHBondContact O-N 3.34Å; N136-T139 PolarHBondContact O-OG1 3.48Å; E137-T139 PolarHBondContact O-N 3.23Å; E137-T139 VanDerWaalsContact O-N 3.09Å; E137-T139 PolarHBondContact O-OG1 3.03Å; T139-L141 HydrophobicContact CG2-CD2 3.98Å; T139-L141 HydrophobicContact CG2-CG 4.49Å
140W96.7Very high95.1Very high29 Ų2946.3 Ų46.311%0.1123%0.225CC..EExtended strand (participates in β ladder)trans-123.9137.3175.4-62.791.9000109.9L10 W54 R65 G81 L102 S103L10-W140 HydrophobicContact CD1-CB 3.89Å; L10-W140 HydrophobicContact CD1-CD2 3.83Å; L10-W140 HydrophobicContact CD1-CE3 4.18Å; L10-W140 HydrophobicContact CD1-CG 3.7Å; L10-W140 HydrophobicContact CD2-CD2 3.61Å; L10-W140 VanDerWaalsContact CD2-CE2 3.41Å; L10-W140 HydrophobicContact CD2-CE3 4.04Å; L10-W140 HydrophobicContact CD2-CG 4.09Å; L10-W140 HydrophobicContact CD2-CH2 4.09Å; L10-W140 HydrophobicContact CD2-CZ2 3.66Å; L10-W140 HydrophobicContact CD2-CZ3 4.28Å; L10-W140 HydrophobicContact CG-CD2 4.36Å; L10-W140 HydrophobicContact CG-CG 4.46Å; W54-W140 HydrophobicContact CD2-CZ3 4.5Å; W54-W140 HydrophobicContact CE3-CH2 4.37Å; W54-W140 AromaticContact CE3-CZ3 3.79Å; W54-W140 HydrophobicContact CE3-CZ3 3.79Å; W54-W140 AromaticContact CH2-CE3 3.8Å; W54-W140 HydrophobicContact CH2-CE3 3.8Å; W54-W140 HydrophobicContact CH2-CH2 4.39Å; W54-W140 AromaticContact CH2-CZ3 3.58Å; W54-W140 HydrophobicContact CH2-CZ3 3.58Å; W54-W140 HydrophobicContact CZ2-CZ3 4.32Å; W54-W140 AromaticContact CZ3-CE3 3.82Å; W54-W140 HydrophobicContact CZ3-CE3 3.82Å; W54-W140 HydrophobicContact CZ3-CH2 4.21Å; W54-W140 AromaticContact CZ3-CZ3 3.28Å; W54-W140 HydrophobicContact CZ3-CZ3 3.28Å; R65-W140 HydrophobicContact CB-CH2 4Å; R65-W140 HydrophobicContact CB-CZ3 4.08Å; G81-W140 VanDerWaalsContact CA-CE3 3.47Å; L102-W140 WeakPolarHBondContact CA-O 3.35Å; L102-W140 HydrophobicContact CB-CB 4.4Å; L102-W140 WeakPolarHBondContact CB-O 3.29Å; L102-W140 PolarHBondContact N-O 2.96Å; S103-W140 PolarHBondContact N-O 3.28Å; S103-W140 PolarHBondContact O-N 3.4Å; S103-W140 VanDerWaalsContact O-N 3.13Å; S103-W140 VanDerWaalsContact OG-CD1 3.27Å
141L97.1Very high94.9Very high11 Ų1147.8 Ų47.86%0.05823%0.228CC..EExtended strand (participates in β ladder)trans-123.6139.9-174.8-53.1179.3000109.9I79 I80 C99 T100 V101 L106 L135 T139I79-L141 CarbonylContact C-O 3.54Å; I79-L141 VanDerWaalsContact CA-O 3.28Å; I79-L141 WeakPolarHBondContact CA-O 3.24Å; I80-L141 HydrophobicContact CG2-CB 3.93Å; I80-L141 HydrophobicContact CG2-CD1 4.43Å; I80-L141 PolarHBondContact N-O 3.35Å; I80-L141 WeakPolarHBondContact O-CA 3.44Å; I80-L141 WeakPolarHBondContact O-CB 3.09Å; I80-L141 PolarHBondContact O-N 2.94Å; C99-L141 HydrophobicContact CB-CB 4.31Å; C99-L141 HydrophobicContact CB-CD1 4.09Å; T100-L141 CarbonylContact O-C 3.54Å; T100-L141 VanDerWaalsContact O-CA 3.27Å; T100-L141 WeakPolarHBondContact O-CA 3.42Å; V101-L141 HydrophobicContact CB-CD2 4.23Å; V101-L141 HydrophobicContact CG1-CD2 4.44Å; V101-L141 HydrophobicContact CG2-CD2 3.82Å; L106-L141 HydrophobicContact CB-CD2 4.36Å; L106-L141 HydrophobicContact CD1-CD1 4.19Å; L135-L141 HydrophobicContact CD2-CD1 3.72Å; L135-L141 HydrophobicContact CD2-CD2 4.38Å; L135-L141 HydrophobicContact CD2-CG 4.14Å; T139-L141 HydrophobicContact CG2-CD2 3.98Å; T139-L141 HydrophobicContact CG2-CG 4.49Å
142F97.1Very high94.8Very high15 Ų1548.3 Ų48.37%0.06623%0.233CC..EExtended strand (participates in β ladder)trans-97110.4163.2172.5-104.9000108.6M1 I17 L21 V77 I79 C99 T100 L102M1-F142 HydrophobicContact CB-CE1 4.19Å; M1-F142 HydrophobicContact CB-CZ 4.43Å; M1-F142 HydrophobicContact SD-CZ 4.42Å; I17-F142 HydrophobicContact CD1-CB 4.33Å; I17-F142 HydrophobicContact CD1-CD2 3.8Å; I17-F142 HydrophobicContact CD1-CE2 4.44Å; I17-F142 HydrophobicContact CD1-CG 4.23Å; I17-F142 HydrophobicContact CG1-CD2 4.45Å; I17-F142 HydrophobicContact CG2-CD2 3.94Å; I17-F142 HydrophobicContact CG2-CE2 3.55Å; I17-F142 HydrophobicContact CG2-CZ 4.46Å; L21-F142 HydrophobicContact CD1-CE2 4.22Å; L21-F142 HydrophobicContact CD1-CZ 4.48Å; V77-F142 HydrophobicContact CG1-CD2 4.34Å; V77-F142 HydrophobicContact CG1-CE2 3.32Å; V77-F142 HydrophobicContact CG1-CZ 3.65Å; I79-F142 HydrophobicContact CG1-CD2 4.24Å; C99-F142 CarbonylContact C-O 3.59Å; C99-F142 WeakPolarHBondContact CA-O 3.34Å; T100-F142 PolarHBondContact N-O 2.91Å; T100-F142 PolarHBondContact O-N 3.31Å; L102-F142 HydrophobicContact CD1-CB 4.09Å; L102-F142 HydrophobicContact CD2-CB 3.93Å; L102-F142 HydrophobicContact CG-CB 4Å
143C96.2Very high94.6Very high5 Ų545.9 Ų45.93%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-108.8134.1-177.8-63.20000111.3Y76 V77 A78 I80 S98 C99Y76-C143 HydrophobicContact CE2-CB 4.19Å; V77-C143 WeakPolarHBondContact CA-O 3.43Å; A78-C143 PolarHBondContact N-O 2.81Å; A78-C143 PolarHBondContact O-N 3.08Å; I80-C143 HydrophobicContact CG2-CB 4.21Å; I80-C143 WeakPolarHBondContact CG2-SG 3.3Å; S98-C143 WeakPolarHBondContact O-CA 3.35Å; C99-C143 HydrophobicContact CB-CB 4.23Å; C99-C143 WeakPolarHBondContact CB-SG 3.25Å; C99-C143 WeakPolarHBondContact SG-CB 3.37Å; C99-C143 CovalentContact SG-SG 2.05Å; C99-C143 PolarHBondContact SG-SG 3.28Å
144Y95.8Very high94.4Very high76 Ų7647.8 Ų47.830%0.29823%0.233SC..EExtended strand (participates in β ladder)trans-122.2131.7169.3166.6-109.1000108.4E75 Y76 V77 H97 S98 R146E75-Y144 HydrophobicContact CB-CE2 4.46Å; E75-Y144 PolarHBondContact OE1-OH 3.49Å; Y76-Y144 WeakPolarHBondContact O-CA 3.47Å; Y76-Y144 WeakPolarHBondContact O-CD2 3.38Å; V77-Y144 HydrophobicContact CG2-CD2 3.91Å; H97-Y144 CarbonylContact C-O 3.57Å; H97-Y144 WeakPolarHBondContact CA-O 3.33Å; S98-Y144 PolarHBondContact N-O 3.23Å; S98-Y144 PolarHBondContact O-N 3Å; Y144-R146 HydrophobicContact CE1-CB 4.45Å
145G95.4Very high94.3Very high1 Ų148.1 Ų48.11%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-132.6151.8172.800000112.8E75 Y76 N96E75-G145 CarbonylContact C-O 3.49Å; E75-G145 VanDerWaalsContact CA-O 3.24Å; E75-G145 WeakPolarHBondContact CA-O 3.46Å; Y76-G145 VanDerWaalsContact CE1-CA 3.4Å; Y76-G145 PolarHBondContact N-O 2.95Å; Y76-G145 PolarHBondContact O-N 2.78Å; N96-G145 CarbonylContact O-C 3.49Å; N96-G145 WeakPolarHBondContact O-CA 3.47Å
146R95.8Very high94.1Very high157 Ų15748.7 Ų48.759%0.59224%0.236SC*.EExtended strand (participates in β ladder)trans-140127.6-178.2-176.7171.5-174.7-171.43.1110.8S74 E75 M95 N96 Y144S74-R146 CarbonylContact O-C 3.07Å; S74-R146 VanDerWaalsContact O-CA 3.32Å; S74-R146 WeakPolarHBondContact O-CA 3.41Å; E75-R146 HydrophobicContact CG-CB 4.28Å; E75-R146 HydrophobicContact CG-CG 3.98Å; E75-R146 IonicContact OE1-NE 2.72Å; M95-R146 WeakPolarHBondContact CA-O 3.37Å; M95-R146 WeakPolarHBondContact CB-O 3.31Å; N96-R146 PolarHBondContact N-O 3.47Å; N96-R146 PolarHBondContact O-N 2.91Å; Y144-R146 HydrophobicContact CE1-CB 4.45Å
147G95.1Very high93.9Very high24 Ų2448 Ų4825%0.24723%0.233CC..EExtended strand (participates in β ladder)trans143.5-161.6-173.100000109.7S74 T149S74-G147 CarbonylContact C-O 3.5Å; S74-G147 WeakPolarHBondContact CA-O 3.33Å; S74-G147 PolarHBondContact O-N 3.43Å; G147-T149 PolarHBondContact O-N 3.38Å
148F93.5Very high93.9Very high97 Ų9748.5 Ų48.543%0.42523%0.233SC..  trans-7885.6-176.3-172.4-135.7000111.4W94 M95 P150 M151W94-F148 HydrophobicContact CB-CB 4.42Å; W94-F148 HydrophobicContact CE3-CD1 4.12Å; W94-F148 PolarHBondContact O-N 2.99Å; M95-F148 VanDerWaalsContact CE-O 3.3Å; M95-F148 WeakPolarHBondContact CE-O 3.45Å; F148-P150 VanDerWaalsContact C-CD 3.41Å; F148-P150 HydrophobicContact CD2-CG 4.14Å; F148-P150 HydrophobicContact CE1-CB 4.45Å; F148-P150 HydrophobicContact CE2-CB 4.11Å; F148-P150 HydrophobicContact CE2-CG 3.66Å; F148-P150 HydrophobicContact CZ-CB 3.97Å; F148-P150 HydrophobicContact CZ-CG 4.03Å; F148-M151 HydrophobicContact CD1-CB 4.1Å; F148-M151 HydrophobicContact CD1-CG 3.19Å; F148-M151 HydrophobicContact CD1-SD 4.44Å; F148-M151 HydrophobicContact CE1-CG 3.45Å; F148-M151 VanDerWaalsContact CE1-CG 3.45Å; F148-M151 HydrophobicContact CE1-SD 4.2Å; F148-M151 HydrophobicContact CG-CG 4.26Å; F148-M151 WeakPolarHBondContact O-CB 3.42Å; F148-M151 PolarHBondContact O-N 2.85Å; F148-M151 VanDerWaalsContact O-N 3.1Å
149T92Very high93.8Very high13 Ų1343 Ų438%0.0821%0.21CC..G310 helixtrans-51.8-41.9-174.4-53.10000114.2I71 S72 L73 E75 Y76 M95 G147 M151 A152I71-T149 HydrophobicContact CG2-CG2 4.14Å; S72-T149 WeakPolarHBondContact O-CB 3.45Å; S72-T149 PolarHBondContact O-OG1 2.92Å; L73-T149 PolarHBondContact O-N 3.48Å; E75-T149 PolarHBondContact N-OG1 2.95Å; E75-T149 VanDerWaalsContact N-OG1 3.14Å; E75-T149 PolarHBondContact O-OG1 3.16Å; Y76-T149 HydrophobicContact CD1-CG2 4.32Å; M95-T149 VanDerWaalsContact CE-CA 3.49Å; G147-T149 PolarHBondContact O-N 3.38Å; T149-M151 PolarHBondContact O-N 2.91Å; T149-A152 WeakPolarHBondContact O-CB 3.07Å; T149-A152 PolarHBondContact O-N 3.46Å
150P90.8Very high93.6Very high43 Ų4343.2 Ų43.228%0.27921%0.211SC..G310 helixtrans-55.5-26.6179.1-28.937.1000114.4L73 F148 A152 M153 P154L73-P150 HydrophobicContact CD2-CG 3.83Å; L73-P150 WeakPolarHBondContact O-CD 3.32Å; F148-P150 VanDerWaalsContact C-CD 3.41Å; F148-P150 HydrophobicContact CD2-CG 4.14Å; F148-P150 HydrophobicContact CE1-CB 4.45Å; F148-P150 HydrophobicContact CE2-CB 4.11Å; F148-P150 HydrophobicContact CE2-CG 3.66Å; F148-P150 HydrophobicContact CZ-CB 3.97Å; F148-P150 HydrophobicContact CZ-CG 4.03Å; P150-A152 VanDerWaalsContact C-N 3.26Å; P150-A152 PolarHBondContact O-N 3.36Å; P150-M153 VanDerWaalsContact O-CB 3.3Å; P150-M153 WeakPolarHBondContact O-CB 3.17Å; P150-M153 PolarHBondContact O-N 3.45Å; P150-M153 VanDerWaalsContact O-N 3.09Å; P150-P154 WeakPolarHBondContact O-CD 3.11Å
151M88.1Confident93.4Very high74 Ų7445.9 Ų45.937%0.36523%0.227SC..G310 helixtrans-73.4-13177-73.6-63.4-63.700114.4W94 F148 T149 M153 P154W94-M151 HydrophobicContact CB-CB 4.23Å; W94-M151 HydrophobicContact CD2-CE 4.45Å; W94-M151 HydrophobicContact CD2-CG 4.24Å; W94-M151 HydrophobicContact CE3-CG 4.09Å; W94-M151 HydrophobicContact CG-CB 4.41Å; W94-M151 HydrophobicContact CG-CG 4.46Å; F148-M151 HydrophobicContact CD1-CB 4.1Å; F148-M151 HydrophobicContact CD1-CG 3.19Å; F148-M151 HydrophobicContact CD1-SD 4.44Å; F148-M151 HydrophobicContact CE1-CG 3.45Å; F148-M151 VanDerWaalsContact CE1-CG 3.45Å; F148-M151 HydrophobicContact CE1-SD 4.2Å; F148-M151 HydrophobicContact CG-CG 4.26Å; F148-M151 WeakPolarHBondContact O-CB 3.42Å; F148-M151 PolarHBondContact O-N 2.85Å; F148-M151 VanDerWaalsContact O-N 3.1Å; T149-M151 PolarHBondContact O-N 2.91Å; M151-M153 VanDerWaalsContact C-N 3.29Å; M151-P154 WeakPolarHBondContact O-CD 3.43Å
152A92Very high93.2Very high18 Ų1848.8 Ų48.815%0.14926%0.259CS..G310 helixtrans-77.8-15.3168.100000112.9L93 M95 T149 P150 Y155 M156L93-A152 HydrophobicContact CD1-CB 4.26Å; L93-A152 HydrophobicContact CD2-CB 4.16Å; M95-A152 HydrophobicContact CE-CB 3.43Å; M95-A152 VanDerWaalsContact CE-CB 3.43Å; M95-A152 HydrophobicContact SD-CB 4.04Å; T149-A152 WeakPolarHBondContact O-CB 3.07Å; T149-A152 PolarHBondContact O-N 3.46Å; P150-A152 VanDerWaalsContact C-N 3.26Å; P150-A152 PolarHBondContact O-N 3.36Å; A152-Y155 WeakPolarHBondContact O-CB 3.4Å; A152-Y155 PolarHBondContact O-N 2.76Å; A152-M156 PolarHBondContact O-N 2.9Å
153M90.6Very high92.9Very high43 Ų4353 Ų5321%0.21228%0.279CS..Hα-helixtrans-62.7-49.4-179.5-66.6-66.2-63.400112.3P150 M151 Y155 M156 T157 L172 V173 A176P150-M153 VanDerWaalsContact O-CB 3.3Å; P150-M153 WeakPolarHBondContact O-CB 3.17Å; P150-M153 PolarHBondContact O-N 3.45Å; P150-M153 VanDerWaalsContact O-N 3.09Å; M151-M153 VanDerWaalsContact C-N 3.29Å; M153-Y155 PolarHBondContact O-N 3.24Å; M153-M156 PolarHBondContact O-N 2.94Å; M153-M156 VanDerWaalsContact O-N 3.08Å; M153-T157 HydrophobicContact CE-CG2 4.29Å; M153-T157 WeakPolarHBondContact O-CG2 3.43Å; M153-T157 PolarHBondContact O-N 2.86Å; M153-T157 PolarHBondContact O-OG1 3.19Å; M153-L172 HydrophobicContact CE-CD2 3.89Å; M153-L172 HydrophobicContact CE-CG 3.75Å; M153-L172 HydrophobicContact SD-CD2 4.41Å; M153-L172 HydrophobicContact SD-CG 4.39Å; M153-V173 HydrophobicContact CE-CG2 4.09Å; M153-A176 HydrophobicContact CE-CB 3.82Å; M153-A176 HydrophobicContact SD-CB 3.88Å
154P91.8Very high92.7Very high46 Ų4656.5 Ų56.530%0.29931%0.308SS..Hα-helixtrans-53.7-38176.1-28.435.8000114.1P150 M151 M156 T157 F158P150-P154 WeakPolarHBondContact O-CD 3.11Å; M151-P154 WeakPolarHBondContact O-CD 3.43Å; P154-M156 VanDerWaalsContact C-N 3.33Å; P154-M156 PolarHBondContact O-N 3.16Å; P154-T157 WeakPolarHBondContact CA-OG1 3.23Å; P154-F158 HydrophobicContact CB-CD2 4.24Å; P154-F158 HydrophobicContact CB-CE2 3.98Å; P154-F158 HydrophobicContact CB-CZ 4.2Å; P154-F158 WeakPolarHBondContact O-CB 3.47Å; P154-F158 WeakPolarHBondContact O-CG 3.36Å; P154-F158 PolarHBondContact O-N 3.14Å
155Y92.1Very high92.4Very high45 Ų4556.1 Ų56.118%0.17631%0.311CS..Hα-helixtrans-58.7-43.5178165.6-103000112.4G59 G60 N89 A91 L93 A152 M153G59-Y155 VanDerWaalsContact C-OH 3.26Å; G59-Y155 PolarHBondContact O-OH 3.02Å; G59-Y155 VanDerWaalsContact O-OH 3.11Å; G60-Y155 VanDerWaalsContact CA-CE2 3.41Å; G60-Y155 VanDerWaalsContact N-CE2 3.29Å; N89-Y155 WeakPolarHBondContact O-CE2 3.49Å; N89-Y155 PolarHBondContact O-OH 3.38Å; A91-Y155 HydrophobicContact CB-CD2 3.27Å; A91-Y155 HydrophobicContact CB-CE2 3.39Å; A91-Y155 HydrophobicContact CB-CG 4.2Å; L93-Y155 HydrophobicContact CD2-CG 4.3Å; A152-Y155 WeakPolarHBondContact O-CB 3.4Å; A152-Y155 PolarHBondContact O-N 2.76Å; M153-Y155 PolarHBondContact O-N 3.24Å
156M92.4Very high92.2Very high18 Ų1860.9 Ų60.99%0.08934%0.335CS..Hα-helixtrans-76.7-51177.9-61.4-73.6-81.100111F57 C58 I66 A152 M153 P154 F158 C159 M160 L172F57-M156 HydrophobicContact CB-CE 3.68Å; F57-M156 HydrophobicContact CD2-CE 3.24Å; F57-M156 HydrophobicContact CD2-SD 3.8Å; F57-M156 HydrophobicContact CE2-CE 4.11Å; F57-M156 HydrophobicContact CE2-SD 4.35Å; F57-M156 HydrophobicContact CG-CE 3.61Å; C58-M156 WeakPolarHBondContact O-CA 3.5Å; I66-M156 HydrophobicContact CD1-CE 4.08Å; A152-M156 PolarHBondContact O-N 2.9Å; M153-M156 PolarHBondContact O-N 2.94Å; M153-M156 VanDerWaalsContact O-N 3.08Å; P154-M156 VanDerWaalsContact C-N 3.33Å; P154-M156 PolarHBondContact O-N 3.16Å; M156-F158 PolarHBondContact O-N 2.9Å; M156-C159 WeakPolarHBondContact O-CB 3.41Å; M156-C159 PolarHBondContact O-N 2.8Å; M156-M160 WeakPolarHBondContact O-CG 3.43Å; M156-M160 PolarHBondContact O-N 3Å; M156-M160 VanDerWaalsContact O-N 3.13Å; M156-L172 HydrophobicContact CB-CD2 3.67Å
157T93.1Very high92Very high17 Ų1757.3 Ų57.310%0.10433%0.327CS..Hα-helixtrans-67.2-36.9-172.557.10000112.5M153 P154 C159 M160 L161 T169 L172 V173M153-T157 HydrophobicContact CE-CG2 4.29Å; M153-T157 WeakPolarHBondContact O-CG2 3.43Å; M153-T157 PolarHBondContact O-N 2.86Å; M153-T157 PolarHBondContact O-OG1 3.19Å; P154-T157 WeakPolarHBondContact CA-OG1 3.23Å; T157-C159 VanDerWaalsContact C-N 3.35Å; T157-M160 PolarHBondContact O-N 2.8Å; T157-L161 VanDerWaalsContact O-CB 3.31Å; T157-L161 WeakPolarHBondContact O-CB 3.18Å; T157-L161 WeakPolarHBondContact O-CG 3.3Å; T157-L161 PolarHBondContact O-N 3.07Å; T157-T169 HydrophobicContact CG2-CG2 4.1Å; T157-L172 HydrophobicContact CG2-CD2 3.95Å; T157-V173 HydrophobicContact CG2-CG2 4.06Å
158F94Very high91.8Very high147 Ų14756.6 Ų56.665%0.64532%0.318SS*.Hα-helixtrans-68.3-35.3178.4-68.8-13.2000112.5P154 M156 G162P154-F158 HydrophobicContact CB-CD2 4.24Å; P154-F158 HydrophobicContact CB-CE2 3.98Å; P154-F158 HydrophobicContact CB-CZ 4.2Å; P154-F158 WeakPolarHBondContact O-CB 3.47Å; P154-F158 WeakPolarHBondContact O-CG 3.36Å; P154-F158 PolarHBondContact O-N 3.14Å; M156-F158 PolarHBondContact O-N 2.9Å; F158-G162 PolarHBondContact O-N 2.87Å
159C93.5Very high91.8Very high25 Ų2552.5 Ų52.517%0.16930%0.301CS..Hα-helixtrans-63-49.8173.8-165.10000110.6C58 G59 M156 T157 G162 Q163C58-C159 HydrophobicContact CB-CB 3.73Å; C58-C159 WeakPolarHBondContact CB-SG 3.47Å; C58-C159 WeakPolarHBondContact O-CB 3.28Å; C58-C159 WeakPolarHBondContact SG-CB 3.4Å; C58-C159 CovalentContact SG-SG 2.05Å; C58-C159 PolarHBondContact SG-SG 3.01Å; G59-C159 PolarHBondContact N-SG 3.3Å; M156-C159 WeakPolarHBondContact O-CB 3.41Å; M156-C159 PolarHBondContact O-N 2.8Å; T157-C159 VanDerWaalsContact C-N 3.35Å; C159-G162 PolarHBondContact O-N 3.12Å; C159-Q163 PolarHBondContact O-N 2.59Å
160M93.2Very high91.9Very high3 Ų354.9 Ų54.92%0.01531%0.313CS..Hα-helixtrans-61.8-45.9179.1-64.8166.5168.200112.4L55 F57 C58 M156 T157 G162 Q163 A164 D165 T169 L172L55-M160 HydrophobicContact CD2-CE 3.94Å; F57-M160 HydrophobicContact CB-CE 3.4Å; C58-M160 HydrophobicContact CB-CG 3.9Å; M156-M160 WeakPolarHBondContact O-CG 3.43Å; M156-M160 PolarHBondContact O-N 3Å; M156-M160 VanDerWaalsContact O-N 3.13Å; T157-M160 PolarHBondContact O-N 2.8Å; M160-G162 VanDerWaalsContact C-N 3.3Å; M160-G162 PolarHBondContact O-N 2.9Å; M160-Q163 CarbonylContact O-C 3.55Å; M160-Q163 PolarHBondContact O-N 2.81Å; M160-Q163 VanDerWaalsContact O-N 3.09Å; M160-A164 PolarHBondContact O-N 2.96Å; M160-D165 PolarHBondContact O-N 3.39Å; M160-T169 WeakPolarHBondContact CB-OG1 3.5Å; M160-L172 HydrophobicContact CE-CD2 3.99Å; M160-L172 HydrophobicContact SD-CD2 4.02Å
161L92.7Very high92Very high86 Ų8653 Ų5345%0.4530%0.3SS..Hα-helixtrans-64.4-36176.8-70.9173.3000111.9T157 Q163 A164 I166 T169T157-L161 VanDerWaalsContact O-CB 3.31Å; T157-L161 WeakPolarHBondContact O-CB 3.18Å; T157-L161 WeakPolarHBondContact O-CG 3.3Å; T157-L161 PolarHBondContact O-N 3.07Å; L161-Q163 PolarHBondContact O-N 2.82Å; L161-A164 WeakPolarHBondContact O-CA 3.27Å; L161-A164 PolarHBondContact O-N 3.37Å; L161-I166 HydrophobicContact CD2-CG1 4.43Å; L161-T169 HydrophobicContact CD2-CG2 4.04Å; L161-T169 HydrophobicContact CG-CG2 4.07Å
162G91.9Very high92.2Very high71 Ų7149.5 Ų49.573%0.73228%0.283SS*.Hα-helixtrans-62.3-25.7173.300000113.5F158 C159 M160 A164F158-G162 PolarHBondContact O-N 2.87Å; C159-G162 PolarHBondContact O-N 3.12Å; M160-G162 VanDerWaalsContact C-N 3.3Å; M160-G162 PolarHBondContact O-N 2.9Å; G162-A164 VanDerWaalsContact C-N 3.32Å
163Q90.1Very high92.2Very high105 Ų10552 Ų5249%0.49130%0.296SS..THydrogen-bonded Turntrans-89.44.5172.4-66-177.7-2000113.4C58 C159 M160 L161 D165C58-Q163 PolarHBondContact SG-NE2 3.14Å; C159-Q163 PolarHBondContact O-N 2.59Å; M160-Q163 CarbonylContact O-C 3.55Å; M160-Q163 PolarHBondContact O-N 2.81Å; M160-Q163 VanDerWaalsContact O-N 3.09Å; L161-Q163 PolarHBondContact O-N 2.82Å; Q163-D165 PolarHBondContact O-N 3.2Å
164A92.1Very high92.4Very high78 Ų7851.2 Ų51.265%0.64529%0.294SS*.THydrogen-bonded Turntrans5722.2-171.100000114.3M160 L161 G162 I166M160-A164 PolarHBondContact O-N 2.96Å; L161-A164 WeakPolarHBondContact O-CA 3.27Å; L161-A164 PolarHBondContact O-N 3.37Å; G162-A164 VanDerWaalsContact C-N 3.32Å; A164-I166 PolarHBondContact O-N 3.22Å
165D90.4Very high92.4Very high67 Ų6749.4 Ų49.436%0.35828%0.282SS..  trans-91.279.3179.8-159.1-0.6000111.2M160 Q163 P168 T169M160-D165 PolarHBondContact O-N 3.39Å; Q163-D165 PolarHBondContact O-N 3.2Å; D165-P168 WeakPolarHBondContact OD1-CD 3.42Å; D165-P168 WeakPolarHBondContact OD1-CG 2.86Å; D165-P168 WeakPolarHBondContact OD2-CG 3.4Å; D165-T169 PolarHBondContact O-OG1 3.33Å
166I91.4Very high92.3Very high101 Ų10147.8 Ų47.852%0.51828%0.278SS..Hα-helixtrans-75.5-30.5-171.2-58.5168.7000111.7L161 A164 T169 I170L161-I166 HydrophobicContact CD2-CG1 4.43Å; A164-I166 PolarHBondContact O-N 3.22Å; I166-T169 WeakPolarHBondContact O-CB 3.33Å; I166-T169 PolarHBondContact O-N 2.8Å; I166-I170 HydrophobicContact CG2-CD1 3.9Å; I166-I170 HydrophobicContact CG2-CG1 4.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 2.84Å
167I91.2Very high92.3Very high83 Ų8349.2 Ų49.243%0.42629%0.293SS..Hα-helixtrans-64.9-53.5-174.7-67.8170.8000111.5I38 T169 I170 D171I38-I167 HydrophobicContact CB-CG2 4.18Å; I38-I167 HydrophobicContact CG2-CG2 3.77Å; I167-T169 PolarHBondContact O-N 3.15Å; I167-I170 PolarHBondContact O-N 3.2Å; I167-D171 PolarHBondContact O-N 2.97Å
168P91.7Very high92.1Very high8 Ų852.9 Ų52.95%0.05231%0.307CS..Hα-helixtrans-64.3-29.2175.9-22.836.8000112.5P56 D165 D171 L172P56-P168 HydrophobicContact CG-CB 4Å; P56-P168 HydrophobicContact CG-CG 3.71Å; P56-P168 WeakPolarHBondContact O-CB 3.35Å; D165-P168 WeakPolarHBondContact OD1-CD 3.42Å; D165-P168 WeakPolarHBondContact OD1-CG 2.86Å; D165-P168 WeakPolarHBondContact OD2-CG 3.4Å; P168-D171 PolarHBondContact O-N 2.78Å; P168-L172 VanDerWaalsContact O-CB 3.29Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 PolarHBondContact O-N 2.79Å
169T92.8Very high91.8Very high12 Ų1246.3 Ų46.37%0.07428%0.28CS..Hα-helixtrans-60.6-48.7174.2-57.20000110.9T157 M160 L161 D165 I166 I167 L172 V173T157-T169 HydrophobicContact CG2-CG2 4.1Å; M160-T169 WeakPolarHBondContact CB-OG1 3.5Å; L161-T169 HydrophobicContact CD2-CG2 4.04Å; L161-T169 HydrophobicContact CG-CG2 4.07Å; D165-T169 PolarHBondContact O-OG1 3.33Å; I166-T169 WeakPolarHBondContact O-CB 3.33Å; I166-T169 PolarHBondContact O-N 2.8Å; I167-T169 PolarHBondContact O-N 3.15Å; T169-L172 PolarHBondContact O-N 3.48Å; T169-V173 WeakPolarHBondContact O-CG2 3.29Å; T169-V173 PolarHBondContact O-N 3.32Å
170I93.6Very high91.6Very high62 Ų6246.4 Ų46.432%0.31828%0.279SS..Hα-helixtrans-63.5-43.5176.6-64.4167.5000110.4L37 I38 I166 I167 L172 V173 T174L37-I170 HydrophobicContact CB-CG2 4.45Å; L37-I170 HydrophobicContact CD2-CG2 4.37Å; I38-I170 HydrophobicContact CD1-CD1 4.47Å; I38-I170 HydrophobicContact CD1-CG2 4.2Å; I38-I170 HydrophobicContact CG1-CB 4.05Å; I38-I170 HydrophobicContact CG1-CD1 4.32Å; I38-I170 HydrophobicContact CG1-CG2 3.71Å; I166-I170 HydrophobicContact CG2-CD1 3.9Å; I166-I170 HydrophobicContact CG2-CG1 4.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 2.84Å; I167-I170 PolarHBondContact O-N 3.2Å; I170-L172 PolarHBondContact O-N 2.9Å; I170-V173 PolarHBondContact O-N 3.49Å; I170-T174 HydrophobicContact CG2-CG2 4.13Å; I170-T174 WeakPolarHBondContact O-CB 3.47Å; I170-T174 WeakPolarHBondContact O-CG2 3.41Å; I170-T174 PolarHBondContact O-N 3.25Å; I170-T174 PolarHBondContact O-OG1 3.04Å
171D92.8Very high91.3Very high4 Ų451.3 Ų51.32%0.02131%0.305CS..Hα-helixtrans-62.5-41.1178.4-79.8-23.3000112.2G36 L37 I38 S39 L55 I167 P168 T174 V175G36-D171 VanDerWaalsContact CA-OD1 3.27Å; G36-D171 WeakPolarHBondContact CA-OD1 3.21Å; L37-D171 PolarHBondContact N-OD1 3.01Å; L37-D171 VanDerWaalsContact N-OD1 3.12Å; I38-D171 WeakPolarHBondContact CA-OD1 3.38Å; I38-D171 WeakPolarHBondContact CB-OD1 3.29Å; I38-D171 PolarHBondContact N-OD1 2.78Å; S39-D171 VanDerWaalsContact CB-OD2 3.27Å; S39-D171 WeakPolarHBondContact CB-OD2 3.14Å; S39-D171 PolarHBondContact N-OD1 3.47Å; S39-D171 PolarHBondContact N-OD2 3.38Å; S39-D171 PolarHBondContact OG-OD2 3.35Å; L55-D171 HydrophobicContact CD1-CB 3.46Å; L55-D171 VanDerWaalsContact CD1-CB 3.46Å; I167-D171 PolarHBondContact O-N 2.97Å; P168-D171 PolarHBondContact O-N 2.78Å; D171-T174 WeakPolarHBondContact CA-OG1 3.21Å; D171-T174 PolarHBondContact O-N 3.12Å; D171-T174 PolarHBondContact O-OG1 3.23Å; D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 VanDerWaalsContact O-CG2 3.22Å; D171-V175 WeakPolarHBondContact O-CG2 3.18Å; D171-V175 PolarHBondContact O-N 2.91Å
172L92.9Very high91Very high1 Ų150.5 Ų50.51%0.00530%0.304CS..Hα-helixtrans-61.7-51.6175.3178.870.5000111.3L55 F68 M153 M156 T157 M160 P168 T169 I170 T174 V175 A176L55-L172 HydrophobicContact CD2-CB 3.83Å; L55-L172 HydrophobicContact CD2-CD1 3.89Å; L55-L172 HydrophobicContact CD2-CG 4.39Å; F68-L172 HydrophobicContact CD2-CD1 4.48Å; F68-L172 HydrophobicContact CE2-CD1 3.45Å; F68-L172 VanDerWaalsContact CE2-CD1 3.45Å; F68-L172 HydrophobicContact CZ-CD1 3.9Å; M153-L172 HydrophobicContact CE-CD2 3.89Å; M153-L172 HydrophobicContact CE-CG 3.75Å; M153-L172 HydrophobicContact SD-CD2 4.41Å; M153-L172 HydrophobicContact SD-CG 4.39Å; M156-L172 HydrophobicContact CB-CD2 3.67Å; T157-L172 HydrophobicContact CG2-CD2 3.95Å; M160-L172 HydrophobicContact CE-CD2 3.99Å; M160-L172 HydrophobicContact SD-CD2 4.02Å; P168-L172 VanDerWaalsContact O-CB 3.29Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 PolarHBondContact O-N 2.79Å; T169-L172 PolarHBondContact O-N 3.48Å; I170-L172 PolarHBondContact O-N 2.9Å; L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 PolarHBondContact O-N 3.35Å; L172-V175 PolarHBondContact O-N 3.33Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 3.31Å
173V92.9Very high90.7Very high69 Ų6949.1 Ų49.142%0.41828%0.278SS..Hα-helixtrans-60.6-40.7-178.6170.60000110.7M153 T157 T169 I170 A176 A177M153-V173 HydrophobicContact CE-CG2 4.09Å; T157-V173 HydrophobicContact CG2-CG2 4.06Å; T169-V173 WeakPolarHBondContact O-CG2 3.29Å; T169-V173 PolarHBondContact O-N 3.32Å; I170-V173 PolarHBondContact O-N 3.49Å; V173-A176 PolarHBondContact O-N 2.96Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.35Å; V173-A177 PolarHBondContact O-N 3.44Å
174T93.1Very high90.5Very high27 Ų2750.8 Ų50.817%0.16628%0.28CS..Hα-helixtrans-75-34.5-178.556.10000112.4G36 L37 I170 D171 L172 K178G36-T174 WeakPolarHBondContact CA-OG1 3.17Å; L37-T174 HydrophobicContact CB-CG2 3.54Å; L37-T174 HydrophobicContact CD2-CG2 4.06Å; L37-T174 HydrophobicContact CG-CG2 4.41Å; L37-T174 PolarHBondContact N-OG1 3.24Å; I170-T174 HydrophobicContact CG2-CG2 4.13Å; I170-T174 WeakPolarHBondContact O-CB 3.47Å; I170-T174 WeakPolarHBondContact O-CG2 3.41Å; I170-T174 PolarHBondContact O-N 3.25Å; I170-T174 PolarHBondContact O-OG1 3.04Å; D171-T174 WeakPolarHBondContact CA-OG1 3.21Å; D171-T174 PolarHBondContact O-N 3.12Å; D171-T174 PolarHBondContact O-OG1 3.23Å; L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 PolarHBondContact O-N 3.35Å; T174-K178 WeakPolarHBondContact O-CB 3.49Å; T174-K178 WeakPolarHBondContact O-CG 3.45Å; T174-K178 PolarHBondContact O-N 3.43Å
175V91.6Very high90.4Very high9 Ų954 Ų546%0.05528%0.28CS..Hα-helixtrans-61.1-51.1169164.30000110.4M30 F68 I71 D171 L172 A177 K178 S179M30-V175 HydrophobicContact CE-CG1 3.35Å; F68-V175 HydrophobicContact CD2-CG1 4.5Å; I71-V175 HydrophobicContact CD1-CG1 4.19Å; D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 VanDerWaalsContact O-CG2 3.22Å; D171-V175 WeakPolarHBondContact O-CG2 3.18Å; D171-V175 PolarHBondContact O-N 2.91Å; L172-V175 PolarHBondContact O-N 3.33Å; V175-A177 PolarHBondContact O-N 3.27Å; V175-K178 PolarHBondContact O-N 2.89Å; V175-S179 PolarHBondContact O-N 3.36Å; V175-S179 PolarHBondContact O-OG 3.07Å
176A91.5Very high90.2Very high11 Ų1151.8 Ų51.89%0.09127%0.268CS..Hα-helixtrans-60.2-45.3179.600000112.1I71 M153 L172 V173 K178 S179 V180I71-A176 HydrophobicContact CD1-CB 4.38Å; M153-A176 HydrophobicContact CE-CB 3.82Å; M153-A176 HydrophobicContact SD-CB 3.88Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 3.31Å; V173-A176 PolarHBondContact O-N 2.96Å; A176-K178 PolarHBondContact O-N 3.31Å; A176-S179 PolarHBondContact O-N 3.24Å; A176-V180 WeakPolarHBondContact O-CG2 3.39Å; A176-V180 PolarHBondContact O-N 3.42Å
177A91.3Very high89.9Confident48 Ų4855.1 Ų55.140%0.39728%0.275SS..Hα-helixtrans-61.4-43.8177.400000112.1V173 V175 S179 V180 L181V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.35Å; V173-A177 PolarHBondContact O-N 3.44Å; V175-A177 PolarHBondContact O-N 3.27Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 2.05Å; A177-V180 PolarHBondContact O-N 2.99Å; A177-L181 WeakPolarHBondContact O-CB 3.48Å; A177-L181 VanDerWaalsContact O-CG 3.24Å; A177-L181 WeakPolarHBondContact O-CG 3.3Å; A177-L181 PolarHBondContact O-N 3.48Å
178K90.1Very high89.8Confident93 Ų9353.1 Ų53.140%0.40427%0.271SS..Hα-helixtrans-59.4-44.5175.5-77.5174.1-175.8-177.90111.5K35 T174 V175 A176 L181 T182K35-K178 PolarHBondContact O-NZ 3.13Å; T174-K178 WeakPolarHBondContact O-CB 3.49Å; T174-K178 WeakPolarHBondContact O-CG 3.45Å; T174-K178 PolarHBondContact O-N 3.43Å; V175-K178 PolarHBondContact O-N 2.89Å; A176-K178 PolarHBondContact O-N 3.31Å; K178-L181 PolarHBondContact O-N 3.46Å; K178-T182 PolarHBondContact O-N 2.91Å; K178-T182 PolarHBondContact O-OG1 2.7Å
179S88.1Confident89.7Confident10 Ų1059.3 Ų59.37%0.0730%0.297CS..Hα-helixtrans-64.1-43.4-179-55.20000112.5M30 I71 V175 A176 A177 T182 E183M30-S179 WeakPolarHBondContact CE-OG 3.1Å; M30-S179 WeakPolarHBondContact CG-OG 3.49Å; M30-S179 PolarHBondContact SD-OG 2.92Å; I71-S179 WeakPolarHBondContact O-CB 3.41Å; V175-S179 PolarHBondContact O-N 3.36Å; V175-S179 PolarHBondContact O-OG 3.07Å; A176-S179 PolarHBondContact O-N 3.24Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 2.05Å; S179-T182 PolarHBondContact O-N 3.32Å; S179-E183 PolarHBondContact O-N 2.81Å
180V87.3Confident89.6Confident27 Ų2763.8 Ų63.816%0.16432%0.317CS..Hα-helixtrans-64.3-40.9175.3174.50000111.3L73 A176 A177 E183 W184L73-V180 HydrophobicContact CD2-CG1 4.22Å; L73-V180 HydrophobicContact CG-CG1 4.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.39Å; A176-V180 PolarHBondContact O-N 3.42Å; A177-V180 PolarHBondContact O-N 2.99Å; V180-E183 WeakPolarHBondContact O-CB 3.27Å; V180-E183 PolarHBondContact O-N 3Å; V180-W184 HydrophobicContact CG1-CD2 4.32Å; V180-W184 HydrophobicContact CG1-CZ2 4.19Å; V180-W184 PolarHBondContact O-N 3.03Å
181L88.5Confident89.4Confident105 Ų10562.8 Ų62.855%0.5532%0.315SS..Hα-helixtrans-64.3-40.3175.9-72.6171.8000112.1A177 K178 W184 F185A177-L181 WeakPolarHBondContact O-CB 3.48Å; A177-L181 VanDerWaalsContact O-CG 3.24Å; A177-L181 WeakPolarHBondContact O-CG 3.3Å; A177-L181 PolarHBondContact O-N 3.48Å; K178-L181 PolarHBondContact O-N 3.46Å; L181-W184 HydrophobicContact CD2-CE3 4.32Å; L181-W184 PolarHBondContact O-N 2.92Å; L181-F185 WeakPolarHBondContact O-CB 3.15Å; L181-F185 PolarHBondContact O-N 3.36Å
182T86.5Confident89.4Confident69 Ų6966.9 Ų66.942%0.42334%0.336SS..Hα-helixtrans-63-44.6174.9-60.70000110.9K178 S179 W184 F185 V186K178-T182 PolarHBondContact O-N 2.91Å; K178-T182 PolarHBondContact O-OG1 2.7Å; S179-T182 PolarHBondContact O-N 3.32Å; T182-W184 PolarHBondContact O-N 3.11Å; T182-F185 PolarHBondContact O-N 2.85Å; T182-V186 HydrophobicContact CG2-CG2 4.46Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 3.05Å
183E84.9Confident89.3Confident43 Ų4369.1 Ų69.120%0.20136%0.355CS..Hα-helixtrans-57.1-49175.2-175.2-170.9179.800111.4S72 L73 S179 V180 F185 V186 W187S72-E183 WeakPolarHBondContact CA-OE2 3.5Å; S72-E183 WeakPolarHBondContact CB-OE1 3.35Å; S72-E183 WeakPolarHBondContact CB-OE2 3.46Å; L73-E183 PolarHBondContact N-OE2 2.84Å; S179-E183 PolarHBondContact O-N 2.81Å; V180-E183 WeakPolarHBondContact O-CB 3.27Å; V180-E183 PolarHBondContact O-N 3Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3.18Å; E183-V186 PolarHBondContact O-N 2.87Å; E183-W187 WeakPolarHBondContact O-CB 3.37Å; E183-W187 PolarHBondContact O-N 2.92Å
184W86.8Confident89.2Confident139 Ų13974.7 Ų74.753%0.52737%0.369SS..Hα-helixtrans-62.4-39.1177-74.20.1000112.9V180 L181 T182 W187 A188V180-W184 HydrophobicContact CG1-CD2 4.32Å; V180-W184 HydrophobicContact CG1-CZ2 4.19Å; V180-W184 PolarHBondContact O-N 3.03Å; L181-W184 HydrophobicContact CD2-CE3 4.32Å; L181-W184 PolarHBondContact O-N 2.92Å; T182-W184 PolarHBondContact O-N 3.11Å; W184-W187 PolarHBondContact O-N 2.95Å; W184-A188 VanDerWaalsContact O-CB 3.27Å; W184-A188 WeakPolarHBondContact O-CB 3.19Å; W184-A188 PolarHBondContact O-N 3.26Å
185F88.3Confident89.1Confident147 Ų14778.3 Ų78.365%0.64539%0.385SS*.Hα-helixtrans-64.4-44.3177.8-178-99.5000111.6L181 T182 E183 A188 K189L181-F185 WeakPolarHBondContact O-CB 3.15Å; L181-F185 PolarHBondContact O-N 3.36Å; T182-F185 PolarHBondContact O-N 2.85Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3.18Å; F185-A188 PolarHBondContact O-N 2.61Å; F185-K189 WeakPolarHBondContact O-CB 3.31Å; F185-K189 PolarHBondContact O-N 2.99Å
186V86.1Confident89.1Confident19 Ų1984 Ų8412%0.11541%0.412CS..Hα-helixtrans-63.6-47.5175.7176.80000110.2H28 T182 E183 A188 K189 E190H28-V186 WeakPolarHBondContact CE1-CG1 3.42Å; H28-V186 WeakPolarHBondContact NE2-CG1 3.18Å; T182-V186 HydrophobicContact CG2-CG2 4.46Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 3.05Å; E183-V186 PolarHBondContact O-N 2.87Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.15Å; V186-K189 WeakPolarHBondContact O-CB 3.48Å; V186-K189 PolarHBondContact O-N 3.18Å; V186-K189 VanDerWaalsContact O-N 3.16Å; V186-E190 HydrophobicContact CG1-CG 4.42Å; V186-E190 WeakPolarHBondContact O-CG 3.41Å; V186-E190 PolarHBondContact O-N 2.94Å
187W86Confident89.2Confident171 Ų17187.8 Ų87.865%0.64843%0.431SS*.Hα-helixtrans-59.4-41.5177.7-175.875.7000113E183 W184 E190 S191E183-W187 WeakPolarHBondContact O-CB 3.37Å; E183-W187 PolarHBondContact O-N 2.92Å; W184-W187 PolarHBondContact O-N 2.95Å; W187-E190 PolarHBondContact O-N 3.41Å; W187-S191 VanDerWaalsContact O-CB 3.29Å; W187-S191 WeakPolarHBondContact O-CB 3.45Å; W187-S191 PolarHBondContact O-N 3.03Å; W187-S191 PolarHBondContact O-OG 2.87Å
188A89.8Confident89.2Confident42 Ų4287.6 Ų87.635%0.34743%0.427SS..Hα-helixtrans-63.5-43.6176.100000111.7W184 F185 V186 S191 I192W184-A188 VanDerWaalsContact O-CB 3.27Å; W184-A188 WeakPolarHBondContact O-CB 3.19Å; W184-A188 PolarHBondContact O-N 3.26Å; F185-A188 PolarHBondContact O-N 2.61Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.15Å; A188-S191 PolarHBondContact O-N 2.84Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.03Å
189K89.8Confident89.2Confident137 Ų13788 Ų8860%0.59644%0.437SS*.Hα-helixtrans-62-45177.3-176.7-175.1174.5-169.60111.7F185 V186 I192 A193F185-K189 WeakPolarHBondContact O-CB 3.31Å; F185-K189 PolarHBondContact O-N 2.99Å; V186-K189 WeakPolarHBondContact O-CB 3.48Å; V186-K189 PolarHBondContact O-N 3.18Å; V186-K189 VanDerWaalsContact O-N 3.16Å; K189-I192 PolarHBondContact O-N 3.3Å; K189-A193 WeakPolarHBondContact O-CB 3.46Å; K189-A193 PolarHBondContact O-N 3.09Å
190E89.1Confident89.2Confident107 Ų10797.7 Ų97.750%0.547%0.472SS..Hα-helixtrans-65.2-41.2177.3-70.7-179.4167.500112V186 W187 I192 A193 W194V186-E190 HydrophobicContact CG1-CG 4.42Å; V186-E190 WeakPolarHBondContact O-CG 3.41Å; V186-E190 PolarHBondContact O-N 2.94Å; W187-E190 PolarHBondContact O-N 3.41Å; E190-I192 VanDerWaalsContact C-N 3.35Å; E190-I192 PolarHBondContact O-N 3.03Å; E190-A193 PolarHBondContact O-N 3.19Å; E190-W194 WeakPolarHBondContact O-CB 3.3Å; E190-W194 PolarHBondContact O-N 3.42Å
191S89.9Confident89.1Confident40 Ų40105.2 Ų105.228%0.2850%0.503SS..Hα-helixtrans-62.6-41.3176.9-620000112W187 A188 M195W187-S191 VanDerWaalsContact O-CB 3.29Å; W187-S191 WeakPolarHBondContact O-CB 3.45Å; W187-S191 PolarHBondContact O-N 3.03Å; W187-S191 PolarHBondContact O-OG 2.87Å; A188-S191 PolarHBondContact O-N 2.84Å; S191-M195 VanDerWaalsContact O-CB 3.31Å; S191-M195 WeakPolarHBondContact O-CB 3.19Å; S191-M195 PolarHBondContact O-N 2.91Å
192I92.5Very high88.5Confident90 Ų90111.7 Ų111.746%0.46253%0.526SS..Hα-helixtrans-65.3-45.7174.9-68.5165.2000110.6A188 K189 E190 W194 M195 M196A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.03Å; K189-I192 PolarHBondContact O-N 3.3Å; E190-I192 VanDerWaalsContact C-N 3.35Å; E190-I192 PolarHBondContact O-N 3.03Å; I192-W194 PolarHBondContact O-N 3.21Å; I192-M195 HydrophobicContact CG1-CE 4.39Å; I192-M195 PolarHBondContact O-N 3.35Å; I192-M196 HydrophobicContact CG2-CG 4.44Å; I192-M196 HydrophobicContact CG2-SD 4.09Å; I192-M196 WeakPolarHBondContact O-CG 3.49Å; I192-M196 PolarHBondContact O-N 3.44Å
193A91Very high88.6Confident48 Ų48113.8 Ų113.840%0.39753%0.531SS..Hα-helixtrans-60.7-46.3178.600000111.7K189 E190 M195 M196 D197K189-A193 WeakPolarHBondContact O-CB 3.46Å; K189-A193 PolarHBondContact O-N 3.09Å; E190-A193 PolarHBondContact O-N 3.19Å; A193-M195 VanDerWaalsContact C-N 3.31Å; A193-M195 PolarHBondContact O-N 3.3Å; A193-M196 PolarHBondContact O-N 2.88Å; A193-D197 PolarHBondContact O-N 3.02Å
194W91.1Very high88.8Confident186 Ų186117.5 Ų117.571%0.70555%0.549SS*.Hα-helixtrans-59.9-40.6175.5176.186.1000112.4E190 I192 D197 S198E190-W194 WeakPolarHBondContact O-CB 3.3Å; E190-W194 PolarHBondContact O-N 3.42Å; I192-W194 PolarHBondContact O-N 3.21Å; W194-D197 PolarHBondContact O-N 3.08Å; W194-S198 VanDerWaalsContact O-CB 3.31Å; W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.13Å; W194-S198 PolarHBondContact O-OG 3.29Å
195M90.6Very high88.9Confident104 Ų104116.3 Ų116.351%0.51255%0.55SS..Hα-helixtrans-65.5-43.5176.6176.5168.83600111.7S191 I192 A193 S198 V199S191-M195 VanDerWaalsContact O-CB 3.31Å; S191-M195 WeakPolarHBondContact O-CB 3.19Å; S191-M195 PolarHBondContact O-N 2.91Å; I192-M195 HydrophobicContact CG1-CE 4.39Å; I192-M195 PolarHBondContact O-N 3.35Å; A193-M195 VanDerWaalsContact C-N 3.31Å; A193-M195 PolarHBondContact O-N 3.3Å; M195-S198 PolarHBondContact O-N 3.41Å; M195-V199 WeakPolarHBondContact O-CG2 3.31Å; M195-V199 PolarHBondContact O-N 2.91Å
196M92.4Very high88.9Confident128 Ų128114.5 Ų114.563%0.63154%0.544SS*.Hα-helixtrans-62.5-43.4176-71.817864.100112.2I192 A193 S198 V199 R200I192-M196 HydrophobicContact CG2-CG 4.44Å; I192-M196 HydrophobicContact CG2-SD 4.09Å; I192-M196 WeakPolarHBondContact O-CG 3.49Å; I192-M196 PolarHBondContact O-N 3.44Å; A193-M196 PolarHBondContact O-N 2.88Å; M196-S198 VanDerWaalsContact C-N 3.32Å; M196-S198 PolarHBondContact O-N 2.85Å; M196-V199 PolarHBondContact O-N 3.24Å; M196-R200 WeakPolarHBondContact O-CB 3.2Å; M196-R200 PolarHBondContact O-N 3.19Å
197D93Very high89.1Confident90 Ų90120.5 Ų120.548%0.48157%0.571SS.*Hα-helixtrans-65.9-35.9176.5-82-9.9000112.3A193 W194 V199 R200 K201A193-D197 PolarHBondContact O-N 3.02Å; W194-D197 PolarHBondContact O-N 3.08Å; D197-V199 VanDerWaalsContact C-N 3.34Å; D197-R200 PolarHBondContact O-N 3.09Å; D197-K201 WeakPolarHBondContact O-CG 3.47Å; D197-K201 PolarHBondContact O-N 3.41Å; D197-K201 VanDerWaalsContact O-N 3.13Å
198S90.9Very high89.3Confident45 Ų45117.1 Ų117.132%0.31557%0.566SS.*Hα-helixtrans-68-32.7175.7-62.30000112.5W194 M195 M196W194-S198 VanDerWaalsContact O-CB 3.31Å; W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.13Å; W194-S198 PolarHBondContact O-OG 3.29Å; M195-S198 PolarHBondContact O-N 3.41Å; M196-S198 VanDerWaalsContact C-N 3.32Å; M196-S198 PolarHBondContact O-N 2.85Å
199V90Very high89.2Confident101 Ų101122.5 Ų122.561%0.61258%0.582SS**Hα-helixtrans-72.2-41.1172.3172.30000111M195 M196 D197 K201 K202M195-V199 WeakPolarHBondContact O-CG2 3.31Å; M195-V199 PolarHBondContact O-N 2.91Å; M196-V199 PolarHBondContact O-N 3.24Å; D197-V199 VanDerWaalsContact C-N 3.34Å; V199-K201 VanDerWaalsContact C-N 3.3Å; V199-K201 PolarHBondContact O-N 3.1Å; V199-K202 PolarHBondContact O-N 2.94Å
200R88.5Confident89.2Confident214 Ų214121.4 Ų121.481%0.80858%0.581SS**Hα-helixtrans-67.2-26.3-179.4-175.1177.2177.4178.91.2114.1M196 D197 K202M196-R200 WeakPolarHBondContact O-CB 3.2Å; M196-R200 PolarHBondContact O-N 3.19Å; D197-R200 PolarHBondContact O-N 3.09Å; R200-K202 VanDerWaalsContact C-N 3.34Å
201K85.4Confident89.2Confident185 Ų185122.6 Ų122.680%0.80459%0.587SS**THydrogen-bonded Turntrans-83-5.9178.5-73.8178.5-177.2176.50114D197 V199D197-K201 WeakPolarHBondContact O-CG 3.47Å; D197-K201 PolarHBondContact O-N 3.41Å; D197-K201 VanDerWaalsContact O-N 3.13Å; V199-K201 VanDerWaalsContact C-N 3.3Å; V199-K201 PolarHBondContact O-N 3.1Å
202K75Confident89.1Confident240 Ų240130.1 Ų130.1100%1.04362%0.615SS**  trans-93.40171.1-72.7-175.8176.6-177.80110.3V199 R200V199-K202 PolarHBondContact O-N 2.94Å; R200-K202 VanDerWaalsContact C-N 3.34Å

Retrieved 202 of 202 residues in 107 ms (Link to these results)

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