G4VS08_SCHMA Loading...

Ribonuclease pH related

AlphaFold DB , UniProt , Accession G4VS08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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
1M43.5Very low80.6Confident211 Ų21188.2 Ų88.2100%1.03946%0.458SS*.  01270-79.3-179.3-166.800106.6E3M1-E3 PolarHBondContact O-N 3.49Å
2A57.5Low81.3Confident74 Ų7486.8 Ų86.861%0.61245%0.452SS*.  trans-68.3115.7173.700000108.1I4 F173A2-I4 PolarHBondContact O-N 3.34Å; A2-F173 HydrophobicContact CB-CZ 4.16Å
3E76.1Confident82Confident136 Ų13683.2 Ų83.264%0.63645%0.449SS*.  trans-65.5120.3168.5-79-174.415500108.1M1 F5 Y6M1-E3 PolarHBondContact O-N 3.49Å; E3-F5 PolarHBondContact O-N 3.38Å; E3-Y6 WeakPolarHBondContact OE2-CD2 3.11Å
4I84.8Confident82.8Confident11 Ų1178.8 Ų78.86%0.05642%0.422CS..SBendtrans-70.4-20.7178.5-58169.1000110.3A2 V11 F167 F173 E174 N176 I179A2-I4 PolarHBondContact O-N 3.34Å; I4-V11 HydrophobicContact CB-CG2 4.31Å; I4-V11 HydrophobicContact CG2-CG2 4Å; I4-V11 WeakPolarHBondContact O-CG2 3.41Å; I4-V11 PolarHBondContact O-N 2.71Å; I4-F167 HydrophobicContact CG2-CE2 4.06Å; I4-F173 HydrophobicContact CG1-CE1 4.45Å; I4-E174 HydrophobicContact CG2-CG 3.83Å; I4-N176 WeakPolarHBondContact CD1-ND2 3.44Å; I4-I179 HydrophobicContact CD1-CD1 3.69Å; I4-I179 HydrophobicContact CD1-CG1 4.43Å; I4-I179 HydrophobicContact CG2-CD1 4.1Å
5F87.9Confident83.5Confident33 Ų3383.1 Ų83.115%0.14543%0.43CS..EExtended strand (participates in β ladder)trans-143.2120.4-176.9-173.6-110.7000110.5E3 G8 R9 R10 P16 H165 F167E3-F5 PolarHBondContact O-N 3.38Å; F5-G8 VanDerWaalsContact CZ-CA 3.43Å; F5-R9 WeakPolarHBondContact CA-O 3.47Å; F5-R9 WeakPolarHBondContact CD2-O 3.29Å; F5-R10 HydrophobicContact CD2-CG 4.24Å; F5-P16 HydrophobicContact CE2-CG 3.5Å; F5-P16 HydrophobicContact CZ-CG 3.7Å; F5-H165 AromaticContact CD1-CD2 3.62Å; F5-H165 AromaticContact CD1-NE2 3.91Å; F5-H165 AromaticContact CE1-CD2 3.53Å; F5-H165 AromaticContact CE1-CE1 3.7Å; F5-H165 AromaticContact CE1-CG 3.77Å; F5-H165 AromaticContact CE1-ND1 3.86Å; F5-H165 AromaticContact CE1-NE2 3.49Å; F5-H165 WeakPolarHBondContact CE1-NE2 3.47Å; F5-F167 HydrophobicContact CB-CE1 4.28Å; F5-F167 HydrophobicContact CB-CZ 3.62Å; F5-F167 AromaticContact CD2-CE1 3.68Å; F5-F167 HydrophobicContact CD2-CE1 3.68Å; F5-F167 AromaticContact CD2-CZ 3.89Å; F5-F167 HydrophobicContact CD2-CZ 3.89Å; F5-F167 HydrophobicContact CE2-CE1 4.14Å; F5-F167 AromaticContact CG-CE1 3.97Å; F5-F167 HydrophobicContact CG-CE1 3.97Å; F5-F167 AromaticContact CG-CZ 3.8Å; F5-F167 HydrophobicContact CG-CZ 3.8Å
6Y88Confident84Confident144 Ų14479.7 Ų79.757%0.56542%0.415SS*.EExtended strand (participates in β ladder)trans-143.8137.2-178-179.4-106.9000109.9E3 G8 R9E3-Y6 WeakPolarHBondContact OE2-CD2 3.11Å; Y6-G8 VanDerWaalsContact C-N 3.25Å; Y6-G8 PolarHBondContact O-N 3.05Å; Y6-G8 VanDerWaalsContact O-N 3.15Å; Y6-R9 PolarHBondContact N-O 3.16Å; Y6-R9 PolarHBondContact O-N 3.32Å; Y6-R9 VanDerWaalsContact O-O 3.12Å
7N88.7Confident84.5Confident128 Ų12881.9 Ų81.968%0.68443%0.428SS*.THydrogen-bonded Turntrans48.640.4179.8-71.6-8.2000114.9R9N7-R9 PolarHBondContact O-N 3.38Å
8G87.3Confident85Confident38 Ų3881.9 Ų81.939%0.39243%0.425SS..THydrogen-bonded Turntrans76.48.8178.400000114.5F5 Y6F5-G8 VanDerWaalsContact CZ-CA 3.43Å; Y6-G8 VanDerWaalsContact C-N 3.25Å; Y6-G8 PolarHBondContact O-N 3.05Å; Y6-G8 VanDerWaalsContact O-N 3.15Å
9R91.8Very high85.5Confident111 Ų11179.3 Ų79.342%0.41941%0.412SS..EExtended strand (participates in β ladder)trans-124.5145.5-177-61.1-61.2-171161.7-1.8111.2F5 Y6 N7 G13F5-R9 WeakPolarHBondContact CA-O 3.47Å; F5-R9 WeakPolarHBondContact CD2-O 3.29Å; Y6-R9 PolarHBondContact N-O 3.16Å; Y6-R9 PolarHBondContact O-N 3.32Å; Y6-R9 VanDerWaalsContact O-O 3.12Å; N7-R9 PolarHBondContact O-N 3.38Å; R9-G13 WeakPolarHBondContact CD-O 3.45Å; R9-G13 PolarHBondContact NH1-O 3.43Å
10R91.7Very high85.9Confident9 Ų976.1 Ų76.13%0.03439%0.394CS..EExtended strand (participates in β ladder)trans-82.8174.4173-66.3163.769.5171.36.4110.6F5 D12 G13 R14 R15 E18 F167 A168 D169 E174F5-R10 HydrophobicContact CD2-CG 4.24Å; R10-D12 WeakPolarHBondContact CB-OD1 3.16Å; R10-D12 PolarHBondContact O-N 3.47Å; R10-G13 PolarHBondContact O-N 2.96Å; R10-R14 PolarHBondContact N-O 2.89Å; R10-R14 VanDerWaalsContact NH2-NH2 3.14Å; R10-R15 WeakPolarHBondContact CD-O 3.46Å; R10-E18 PolarHBondContact NH1-O 3.24Å; R10-F167 HydrophobicContact CG-CD1 4.21Å; R10-F167 HydrophobicContact CG-CE1 4.32Å; R10-A168 PolarHBondContact NH1-O 3.09Å; R10-A168 PolarHBondContact NH2-O 2.8Å; R10-D169 PolarHBondContact NH2-O 3.06Å; R10-E174 IonicContact CZ-OE1 3.34Å; R10-E174 IonicContact CZ-OE2 3.55Å; R10-E174 IonicContact NE-OE1 3.13Å; R10-E174 PolarHBondContact NE-OE1 3.45Å; R10-E174 IonicContact NE-OE2 2.69Å; R10-E174 VanDerWaalsContact NH2-CD 3.26Å; R10-E174 IonicContact NH2-OE1 3.2Å; R10-E174 PolarHBondContact NH2-OE1 2.71Å; R10-E174 IonicContact NH2-OE2 2.62Å; R10-E174 PolarHBondContact NH2-OE2 2.98Å
11V88.9Confident86.4Confident75 Ų7582.1 Ų82.146%0.45541%0.411SS..THydrogen-bonded Turntrans-57.5-30.5-179.9-1730000112.8I4 F173I4-V11 HydrophobicContact CB-CG2 4.31Å; I4-V11 HydrophobicContact CG2-CG2 4Å; I4-V11 WeakPolarHBondContact O-CG2 3.41Å; I4-V11 PolarHBondContact O-N 2.71Å; V11-F173 HydrophobicContact CB-CD1 4.23Å; V11-F173 HydrophobicContact CG1-CD1 4Å; V11-F173 HydrophobicContact CG1-CE1 4.13Å; V11-F173 HydrophobicContact CG2-CD1 3.77Å; V11-F173 HydrophobicContact CG2-CE1 3.82Å
12D88.9Confident88.9Confident72 Ų7272.7 Ų72.739%0.38537%0.365SS..THydrogen-bonded Turntrans-93.34.9177.658.911000114R10 R14R10-D12 WeakPolarHBondContact CB-OD1 3.16Å; R10-D12 PolarHBondContact O-N 3.47Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3.12Å; D12-R14 WeakPolarHBondContact OD1-CB 3.49Å; D12-R14 PolarHBondContact OD1-N 3.36Å; D12-R14 VanDerWaalsContact OD1-N 3.08Å; D12-R14 IonicContact OD1-NE 3.59Å; D12-R14 PolarHBondContact OD1-NE 3.28Å; D12-R14 IonicContact OD2-CZ 2.83Å; D12-R14 IonicContact OD2-NE 3.16Å; D12-R14 PolarHBondContact OD2-NE 3.27Å; D12-R14 IonicContact OD2-NH2 2.74Å; D12-R14 PolarHBondContact OD2-NH2 3.09Å
13G90.4Very high90.7Very high40 Ų4070.9 Ų70.941%0.41235%0.346SS..SBendtrans83.1-2.3-179.600000115.3R9 R10R9-G13 WeakPolarHBondContact CD-O 3.45Å; R9-G13 PolarHBondContact NH1-O 3.43Å; R10-G13 PolarHBondContact O-N 2.96Å
14R93.5Very high91.6Very high21 Ų2164.6 Ų64.68%0.07932%0.316CS..  trans-70.9159.3175.5-70.2-173-67.8152.1-9.2112.1R10 D12 E18 R20 A168 D169R10-R14 PolarHBondContact N-O 2.89Å; R10-R14 VanDerWaalsContact NH2-NH2 3.14Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3.12Å; D12-R14 WeakPolarHBondContact OD1-CB 3.49Å; D12-R14 PolarHBondContact OD1-N 3.36Å; D12-R14 VanDerWaalsContact OD1-N 3.08Å; D12-R14 IonicContact OD1-NE 3.59Å; D12-R14 PolarHBondContact OD1-NE 3.28Å; D12-R14 IonicContact OD2-CZ 2.83Å; D12-R14 IonicContact OD2-NE 3.16Å; D12-R14 PolarHBondContact OD2-NE 3.27Å; D12-R14 IonicContact OD2-NH2 2.74Å; D12-R14 PolarHBondContact OD2-NH2 3.09Å; R14-E18 HydrophobicContact CB-CB 4.31Å; R14-E18 HydrophobicContact CB-CG 4.4Å; R14-E18 HydrophobicContact CG-CG 4.35Å; R14-E18 PolarHBondContact NH1-O 3.09Å; R14-R20 VanDerWaalsContact NH1-CG 3.34Å; R14-A168 PolarHBondContact NH1-O 2.95Å; R14-D169 PolarHBondContact NH1-O 3.08Å; R14-D169 VanDerWaalsContact NH1-O 3.13Å; R14-D169 IonicContact NH1-OD2 3.96Å; R14-D169 PolarHBondContact NH2-O 3.07Å; R14-D169 VanDerWaalsContact NH2-O 3.07Å
15R93.4Very high92.1Very high143 Ų14369 Ų6954%0.5434%0.337SS..  trans-73.5159.8165.2-64.5-179.1173.8178.6-0.2110.7R10 N17 E18R10-R15 WeakPolarHBondContact CD-O 3.46Å; R15-N17 VanDerWaalsContact C-N 3.27Å; R15-N17 PolarHBondContact O-N 2.88Å; R15-E18 HydrophobicContact CB-CB 3.97Å; R15-E18 PolarHBondContact N-OE2 3.28Å; R15-E18 PolarHBondContact O-N 2.95Å
16P92.4Very high92.4Very high29 Ų2969 Ų6919%0.18834%0.337CS..THydrogen-bonded Turntrans-52.3-42.7176-28.935.6000113.8F5 V166 F167 A168F5-P16 HydrophobicContact CE2-CG 3.5Å; F5-P16 HydrophobicContact CZ-CG 3.7Å; P16-V166 VanDerWaalsContact CB-O 3.29Å; P16-V166 WeakPolarHBondContact CB-O 3.22Å; P16-F167 HydrophobicContact CB-CD1 3.99Å; P16-F167 HydrophobicContact CB-CE1 4.36Å; P16-F167 HydrophobicContact CG-CE1 4.5Å; P16-F167 CarbonylContact O-C 3.56Å; P16-F167 WeakPolarHBondContact O-CA 3.47Å; P16-A168 PolarHBondContact O-N 2.71Å
17N92.1Very high92.6Very high118 Ų11863 Ų6363%0.63132%0.318SS*.THydrogen-bonded Turntrans-93.69.5-175.162.1-26.3000114.3R15R15-N17 VanDerWaalsContact C-N 3.27Å; R15-N17 PolarHBondContact O-N 2.88Å
18E93.1Very high92.5Very high82 Ų8262.3 Ų62.338%0.38332%0.323SS..PPolyproline II helixtrans-99.6123.6-174.2-178.8177.7-170.700111R10 R14 R15R10-E18 PolarHBondContact NH1-O 3.24Å; R14-E18 HydrophobicContact CB-CB 4.31Å; R14-E18 HydrophobicContact CB-CG 4.4Å; R14-E18 HydrophobicContact CG-CG 4.35Å; R14-E18 PolarHBondContact NH1-O 3.09Å; R15-E18 HydrophobicContact CB-CB 3.97Å; R15-E18 PolarHBondContact N-OE2 3.28Å; R15-E18 PolarHBondContact O-N 2.95Å
19I94.2Very high92.5Very high32 Ų3263 Ų6316%0.16433%0.331CS..PPolyproline II helixtrans-74.2158.4175.158.1169000111.5D169 V235 T238 L239 E242I19-D169 HydrophobicContact CB-CB 4.48Å; I19-D169 HydrophobicContact CG2-CB 4.31Å; I19-V235 HydrophobicContact CG2-CG1 3.59Å; I19-T238 HydrophobicContact CD1-CG2 4.14Å; I19-L239 HydrophobicContact CD1-CD2 3.74Å; I19-L239 HydrophobicContact CD1-CG 4.37Å; I19-E242 HydrophobicContact CD1-CG 4.44Å
20R94.7Very high92.3Very high14 Ų1469.4 Ų69.45%0.05336%0.357CS..PPolyproline II helixtrans-68.9159169.9-64.9177.3-73.7-178.7-5.7109.9R14 V22 D128 G129 D169 L170R14-R20 VanDerWaalsContact NH1-CG 3.34Å; R20-V22 PolarHBondContact O-N 3.49Å; R20-D128 PolarHBondContact NH1-O 2.87Å; R20-D128 IonicContact NH1-OD2 2.7Å; R20-D128 PolarHBondContact NH1-OD2 2.88Å; R20-G129 PolarHBondContact NH2-O 3.02Å; R20-D169 VanDerWaalsContact CB-OD2 3.28Å; R20-D169 WeakPolarHBondContact CB-OD2 3.39Å; R20-D169 VanDerWaalsContact CG-OD2 3.29Å; R20-D169 WeakPolarHBondContact CG-OD2 3.05Å; R20-D169 IonicContact CZ-OD1 2.63Å; R20-D169 IonicContact CZ-OD2 2.76Å; R20-D169 PolarHBondContact N-OD2 2.95Å; R20-D169 IonicContact NE-OD1 3.73Å; R20-D169 PolarHBondContact NE-OD1 3.13Å; R20-D169 IonicContact NE-OD2 3.4Å; R20-D169 PolarHBondContact NE-OD2 3.37Å; R20-D169 IonicContact NH2-OD1 3.38Å; R20-D169 PolarHBondContact NH2-OD1 2.85Å; R20-D169 IonicContact NH2-OD2 3.25Å; R20-L170 PolarHBondContact NH2-O 3.33Å; R20-L170 VanDerWaalsContact NH2-O 3.17Å
21R94.9Very high92.3Very high204 Ų20470 Ų7077%0.7736%0.362SS*.PPolyproline II helixtrans-56.6127.4172.4-178.6177.6175.7-175.8-2.3109.5G40R21-G40 PolarHBondContact O-N 3.04Å
22V95.9Very high92.5Very high12 Ų1270.7 Ų70.77%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-99.4128173179.60000108.4R20 L37 H38 Q39 L239 F243R20-V22 PolarHBondContact O-N 3.49Å; V22-L37 HydrophobicContact CG1-CD1 3.9Å; V22-H38 CarbonylContact C-O 3.51Å; V22-H38 VanDerWaalsContact CA-O 3.31Å; V22-H38 WeakPolarHBondContact CA-O 3.01Å; V22-Q39 HydrophobicContact CG2-CG 4.44Å; V22-L239 HydrophobicContact CG2-CD2 3.71Å; V22-F243 HydrophobicContact CG1-CD1 4.39Å; V22-F243 HydrophobicContact CG1-CE1 3.81Å
23D96.1Very high92.7Very high37 Ų3767.3 Ų67.320%0.19835%0.345CS..EExtended strand (participates in β ladder)trans-127.9132.7171.2-173.749000108.3Q25 H38 W246D23-Q25 PolarHBondContact OD2-NE2 3.37Å; D23-H38 HydrophobicContact CB-CB 4.15Å; D23-H38 PolarHBondContact N-O 3.17Å; D23-H38 PolarHBondContact O-N 2.93Å; D23-H38 IonicContact OD2-ND1 3.87Å; D23-W246 WeakPolarHBondContact OD1-CH2 3.49Å
24C95.6Very high93Very high3 Ų366.5 Ų66.52%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-130.1125-175.6179.30000109.3F26 L37 W246C24-F26 VanDerWaalsContact SG-CZ 3.59Å; C24-L37 HydrophobicContact CB-CD1 4.16Å; C24-W246 HydrophobicContact CB-CB 4.07Å; C24-W246 HydrophobicContact CB-CD2 3.75Å; C24-W246 HydrophobicContact CB-CE3 4.13Å; C24-W246 HydrophobicContact CB-CG 3.7Å; C24-W246 VanDerWaalsContact O-CZ3 3.32Å; C24-W246 WeakPolarHBondContact O-CZ3 3.19Å
25Q95Very high93.2Very high104 Ų10465.5 Ų65.549%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-121.5130.8176.3-57.9177.217.200109.2D23 V35 F36D23-Q25 PolarHBondContact OD2-NE2 3.37Å; Q25-V35 WeakPolarHBondContact O-CA 3.46Å; Q25-F36 HydrophobicContact CB-CB 4.26Å; Q25-F36 PolarHBondContact N-O 2.99Å; Q25-F36 PolarHBondContact O-N 3.13Å
26F94.2Very high93.3Very high34 Ų3461.8 Ų61.815%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-97.2123.1178.8-61-90000108.9C24 I34 V35 L141 D145 W246 L247 R250C24-F26 VanDerWaalsContact SG-CZ 3.59Å; F26-I34 WeakPolarHBondContact CA-O 3.47Å; F26-V35 HydrophobicContact CD1-CG2 3.64Å; F26-V35 HydrophobicContact CE1-CG2 3.81Å; F26-L141 HydrophobicContact CZ-CD2 4.49Å; F26-D145 HydrophobicContact CD1-CB 3.96Å; F26-D145 HydrophobicContact CE1-CB 4.28Å; F26-W246 HydrophobicContact CE2-CB 4.35Å; F26-L247 HydrophobicContact CE1-CD2 3.91Å; F26-L247 HydrophobicContact CZ-CD2 3.84Å; F26-L247 HydrophobicContact CZ-CG 4.45Å; F26-R250 HydrophobicContact CB-CG 4.32Å; F26-R250 HydrophobicContact CD1-CG 4.06Å; F26-R250 HydrophobicContact CD2-CB 3.72Å; F26-R250 HydrophobicContact CD2-CG 3.92Å; F26-R250 HydrophobicContact CE1-CB 4.47Å; F26-R250 HydrophobicContact CE1-CG 4.37Å; F26-R250 HydrophobicContact CE2-CB 3.66Å; F26-R250 HydrophobicContact CE2-CG 4.24Å; F26-R250 HydrophobicContact CG-CB 4.16Å; F26-R250 HydrophobicContact CG-CG 3.83Å; F26-R250 HydrophobicContact CZ-CB 4.06Å; F26-R250 HydrophobicContact CZ-CG 4.45Å
27G91.5Very high93.6Very high16 Ų1660.4 Ų60.417%0.16531%0.307CS..  trans-84.5179.4176.600000112.4I34 R250G27-I34 PolarHBondContact N-O 3.11Å; G27-R250 PolarHBondContact O-NH2 3.3Å
28S87.1Confident93.8Very high114 Ų11456.9 Ų56.980%0.79729%0.286SS*.  trans-142.9136.2165.557.10000107
29G86.9Confident93.9Very high53 Ų5353.1 Ų53.155%0.54627%0.269SS..SBendtrans-170.3-150.3-176.700000111.8S31G29-S31 VanDerWaalsContact C-N 3.31Å
30Y88Confident93.9Very high245 Ų24552.9 Ų52.996%0.96127%0.274SS*.SBendtrans-76.6-18.8177.1-66.2-75.2000113.4
31S90.8Very high93.9Very high21 Ų2156.4 Ų56.415%0.14729%0.294CS..SBendtrans-85.5150.2171.815.90000111.4G29 G33 I34 S47 V48G29-S31 VanDerWaalsContact C-N 3.31Å; S31-G33 VanDerWaalsContact C-N 3.3Å; S31-G33 PolarHBondContact O-N 3.49Å; S31-I34 WeakPolarHBondContact OG-CD1 3.16Å; S31-I34 WeakPolarHBondContact OG-CG1 3.43Å; S31-S47 WeakPolarHBondContact CB-OG 3.45Å; S31-S47 PolarHBondContact OG-OG 3.37Å; S31-V48 WeakPolarHBondContact CB-O 3.43Å
32D93.7Very high93.9Very high90 Ų9046.7 Ų46.748%0.48126%0.258SS..SBendtrans-67.6-32.8-179.7-57.2-64.3000111.8V48 G50 A146D32-V48 PolarHBondContact N-O 3.11Å; D32-G50 PolarHBondContact OD2-N 2.91Å; D32-A146 HydrophobicContact CB-CB 3.9Å
33G94.2Very high94Very high1 Ų149 Ų491%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-139129.5174.100000111.8S31 S47 V48S31-G33 VanDerWaalsContact C-N 3.3Å; S31-G33 PolarHBondContact O-N 3.49Å; G33-S47 CarbonylContact O-C 3.57Å; G33-S47 WeakPolarHBondContact O-CA 3.18Å; G33-V48 PolarHBondContact N-O 3.23Å; G33-V48 PolarHBondContact O-N 3.08Å
34I96.1Very high94Very high23 Ų2347.3 Ų47.312%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-130.7126.6176.3-56.3174.1000109F26 G27 S31 F36 I45 A46F26-I34 WeakPolarHBondContact CA-O 3.47Å; G27-I34 PolarHBondContact N-O 3.11Å; S31-I34 WeakPolarHBondContact OG-CD1 3.16Å; S31-I34 WeakPolarHBondContact OG-CG1 3.43Å; I34-F36 HydrophobicContact CG2-CD2 4.35Å; I34-F36 HydrophobicContact CG2-CE2 3.69Å; I34-F36 HydrophobicContact CG2-CZ 4.12Å; I34-I45 HydrophobicContact CG2-CG2 4.47Å; I34-A46 CarbonylContact C-O 3.49Å; I34-A46 WeakPolarHBondContact CA-O 3.27Å
35V96.7Very high94.1Very high0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-130.7132.3178.2174.30000110.4Q25 F26 L37 I45 A46 L141 A142Q25-V35 WeakPolarHBondContact O-CA 3.46Å; F26-V35 HydrophobicContact CD1-CG2 3.64Å; F26-V35 HydrophobicContact CE1-CG2 3.81Å; V35-L37 HydrophobicContact CG1-CB 4.34Å; V35-I45 WeakPolarHBondContact O-CA 3.32Å; V35-A46 PolarHBondContact N-O 3.27Å; V35-A46 PolarHBondContact O-N 2.63Å; V35-L141 HydrophobicContact CB-CB 4.38Å; V35-L141 HydrophobicContact CG1-CB 3.95Å; V35-L141 HydrophobicContact CG1-CD1 4.22Å; V35-L141 HydrophobicContact CG2-CB 3.95Å; V35-A142 HydrophobicContact CB-CB 4.26Å; V35-A142 HydrophobicContact CG2-CB 4.06Å
36F97.1Very high94.2Very high66 Ų6643.9 Ų43.929%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-103.5105.6166.7-58.3-96.5000107.2Q25 I34 I45Q25-F36 HydrophobicContact CB-CB 4.26Å; Q25-F36 PolarHBondContact N-O 2.99Å; Q25-F36 PolarHBondContact O-N 3.13Å; I34-F36 HydrophobicContact CG2-CD2 4.35Å; I34-F36 HydrophobicContact CG2-CE2 3.69Å; I34-F36 HydrophobicContact CG2-CZ 4.12Å; F36-I45 HydrophobicContact CD1-CD1 4.01Å; F36-I45 HydrophobicContact CD1-CG1 3.67Å; F36-I45 HydrophobicContact CD1-CG2 4.37Å; F36-I45 HydrophobicContact CE1-CD1 3.59Å; F36-I45 HydrophobicContact CE1-CG1 3.75Å; F36-I45 HydrophobicContact CE1-CG2 4.11Å; F36-I45 HydrophobicContact CZ-CG2 4.48Å
37L97.6Very high94.4Very high0 Ų043.3 Ų43.30%024%0.242CC..EExtended strand (participates in β ladder)trans-103.1125178.6-17565000109.8V22 C24 V35 K43 V44 C134 N137 A138 L141 F243V22-L37 HydrophobicContact CG1-CD1 3.9Å; C24-L37 HydrophobicContact CB-CD1 4.16Å; V35-L37 HydrophobicContact CG1-CB 4.34Å; L37-K43 WeakPolarHBondContact O-CA 3.2Å; L37-V44 PolarHBondContact N-O 2.73Å; L37-V44 PolarHBondContact O-N 2.64Å; L37-C134 WeakPolarHBondContact CD2-O 3.5Å; L37-N137 HydrophobicContact CD2-CB 3.71Å; L37-A138 HydrophobicContact CB-CB 3.86Å; L37-A138 HydrophobicContact CD2-CB 3.93Å; L37-L141 HydrophobicContact CD1-CD1 3.92Å; L37-L141 HydrophobicContact CD2-CD1 4.38Å; L37-F243 HydrophobicContact CD1-CE1 4.11Å; L37-F243 HydrophobicContact CD2-CE1 4.43Å
38H96.5Very high94.6Very high43 Ų4342.5 Ų42.520%0.19923%0.234CC..EExtended strand (participates in β ladder)trans-112.2120.4172.2-59.7169.3000109.1V22 D23 T42 K43V22-H38 CarbonylContact C-O 3.51Å; V22-H38 VanDerWaalsContact CA-O 3.31Å; V22-H38 WeakPolarHBondContact CA-O 3.01Å; D23-H38 HydrophobicContact CB-CB 4.15Å; D23-H38 PolarHBondContact N-O 3.17Å; D23-H38 PolarHBondContact O-N 2.93Å; D23-H38 IonicContact OD2-ND1 3.87Å; H38-T42 WeakPolarHBondContact CA-O 3.5Å; H38-K43 HydrophobicContact CB-CG 4.47Å; H38-K43 WeakPolarHBondContact CD2-CG 3.33Å
39Q95.2Very high95.1Very high3 Ų339.2 Ų39.21%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-11793.3171.1-171.7168.3-7.700108.3V22 N41 T42 D169V22-Q39 HydrophobicContact CG2-CG 4.44Å; Q39-N41 PolarHBondContact O-N 3.36Å; Q39-T42 PolarHBondContact N-O 2.83Å; Q39-T42 PolarHBondContact O-N 3.4Å; Q39-T42 VanDerWaalsContact O-N 3.07Å; Q39-D169 PolarHBondContact NE2-OD1 2.74Å; Q39-D169 VanDerWaalsContact NE2-OD1 3.12Å; Q39-D169 PolarHBondContact NE2-OD2 3.1Å
40G94.1Very high95.3Very high27 Ų2737 Ų3728%0.27819%0.186SC..THydrogen-bonded Turntrans58.9-118.3-16400000111.1R21R21-G40 PolarHBondContact O-N 3.04Å
41N94.3Very high95.6Very high89 Ų8928.2 Ų28.248%0.47616%0.159SC..THydrogen-bonded Turntrans-93.4-6.2177.4-57.1-48.5000113.4Q39 K43 Q126 D128Q39-N41 PolarHBondContact O-N 3.36Å; N41-K43 PolarHBondContact O-N 3.04Å; N41-Q126 WeakPolarHBondContact O-CB 3.44Å; N41-Q126 WeakPolarHBondContact O-CG 3.43Å; N41-D128 HydrophobicContact CB-CB 3.59Å; N41-D128 WeakPolarHBondContact CB-OD2 3.38Å; N41-D128 PolarHBondContact ND2-OD2 3.23Å; N41-D128 VanDerWaalsContact ND2-OD2 3.11Å
42T95.8Very high95.7Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-78.7119.6173.3-61.70000108.5H38 Q39 V44 Q126 D128 G129 C134H38-T42 WeakPolarHBondContact CA-O 3.5Å; Q39-T42 PolarHBondContact N-O 2.83Å; Q39-T42 PolarHBondContact O-N 3.4Å; Q39-T42 VanDerWaalsContact O-N 3.07Å; T42-V44 HydrophobicContact CG2-CG2 4.32Å; T42-Q126 CarbonylContact C-O 3.59Å; T42-Q126 VanDerWaalsContact CA-O 3.31Å; T42-Q126 WeakPolarHBondContact CA-O 3.42Å; T42-D128 VanDerWaalsContact OG1-C 3.22Å; T42-D128 WeakPolarHBondContact OG1-CA 3.48Å; T42-D128 PolarHBondContact OG1-N 2.88Å; T42-G129 PolarHBondContact OG1-N 2.82Å; T42-G129 PolarHBondContact OG1-O 2.83Å; T42-C134 HydrophobicContact CG2-CB 3.92Å
43K96.6Very high95.6Very high60 Ų6028.8 Ų28.826%0.26117%0.169SC..EExtended strand (participates in β ladder)trans-123.5122.9-176.6-57.9-178.7179.6151.70109.7L37 H38 N41 I125 Q126L37-K43 WeakPolarHBondContact O-CA 3.2Å; H38-K43 HydrophobicContact CB-CG 4.47Å; H38-K43 WeakPolarHBondContact CD2-CG 3.33Å; N41-K43 PolarHBondContact O-N 3.04Å; K43-I125 HydrophobicContact CB-CB 4.15Å; K43-I125 HydrophobicContact CB-CD1 4.46Å; K43-I125 PolarHBondContact O-N 2.9Å; K43-Q126 HydrophobicContact CB-CB 4.06Å; K43-Q126 HydrophobicContact CD-CB 4.2Å; K43-Q126 HydrophobicContact CG-CB 4.11Å; K43-Q126 PolarHBondContact N-O 2.84Å; K43-Q126 PolarHBondContact O-N 2.85Å
44V97.3Very high95.3Very high1 Ų130.1 Ų30.11%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-128.6134.5-179.2-176.80000109L37 T42 L122 E123 V124 C134 A138L37-V44 PolarHBondContact N-O 2.73Å; L37-V44 PolarHBondContact O-N 2.64Å; T42-V44 HydrophobicContact CG2-CG2 4.32Å; V44-L122 HydrophobicContact CG1-CD2 4.06Å; V44-E123 WeakPolarHBondContact CA-O 3.38Å; V44-V124 HydrophobicContact CG2-CG2 4.22Å; V44-C134 HydrophobicContact CG2-CB 4.25Å; V44-A138 HydrophobicContact CB-CB 4.41Å; V44-A138 HydrophobicContact CG1-CB 4.21Å
45I97.2Very high94.8Very high36 Ų3638.1 Ų38.119%0.18521%0.207CC..EExtended strand (participates in β ladder)trans-96.3126.4166.9-51.8178.2000106.9I34 V35 F36 L122 E123 I125I34-I45 HydrophobicContact CG2-CG2 4.47Å; V35-I45 WeakPolarHBondContact O-CA 3.32Å; F36-I45 HydrophobicContact CD1-CD1 4.01Å; F36-I45 HydrophobicContact CD1-CG1 3.67Å; F36-I45 HydrophobicContact CD1-CG2 4.37Å; F36-I45 HydrophobicContact CE1-CD1 3.59Å; F36-I45 HydrophobicContact CE1-CG1 3.75Å; F36-I45 HydrophobicContact CE1-CG2 4.11Å; F36-I45 HydrophobicContact CZ-CG2 4.48Å; I45-L122 WeakPolarHBondContact O-CA 3.37Å; I45-E123 HydrophobicContact CB-CB 4.46Å; I45-E123 PolarHBondContact N-O 3.47Å; I45-E123 PolarHBondContact O-N 2.98Å; I45-I125 HydrophobicContact CD1-CD1 3.59Å; I45-I125 HydrophobicContact CD1-CG1 3.8Å; I45-I125 HydrophobicContact CG1-CD1 3.53Å; I45-I125 HydrophobicContact CG1-CG1 3.71Å
46A97.6Very high94.1Very high0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-113129167.600000108.8I34 V35 F121 L122 A138 A142I34-A46 CarbonylContact C-O 3.49Å; I34-A46 WeakPolarHBondContact CA-O 3.27Å; V35-A46 PolarHBondContact N-O 3.27Å; V35-A46 PolarHBondContact O-N 2.63Å; A46-F121 CarbonylContact C-O 3.55Å; A46-F121 WeakPolarHBondContact CA-O 3.38Å; A46-L122 HydrophobicContact CB-CD2 3.6Å; A46-A138 HydrophobicContact CB-CB 3.72Å; A46-A138 WeakPolarHBondContact CB-O 3.5Å; A46-A142 HydrophobicContact CB-CB 3.7Å
47S97.2Very high92.9Very high21 Ų2149.6 Ų49.615%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-127.8130.2176.3172.10000108.7S31 G33 F121S31-S47 WeakPolarHBondContact CB-OG 3.45Å; S31-S47 PolarHBondContact OG-OG 3.37Å; G33-S47 CarbonylContact O-C 3.57Å; G33-S47 WeakPolarHBondContact O-CA 3.18Å; S47-F121 PolarHBondContact N-O 3.26Å; S47-F121 PolarHBondContact O-N 3.07Å
48V97.4Very high91.7Very high0 Ų053.5 Ų53.50%030%0.304CS..EExtended strand (participates in β ladder)trans-115.6131.9179172.80000108.7S31 D32 G33 I118 D119 I120 A142 L143 A146 I148S31-V48 WeakPolarHBondContact CB-O 3.43Å; D32-V48 PolarHBondContact N-O 3.11Å; G33-V48 PolarHBondContact N-O 3.23Å; G33-V48 PolarHBondContact O-N 3.08Å; V48-I118 HydrophobicContact CG1-CG2 4.15Å; V48-D119 WeakPolarHBondContact CA-O 3.33Å; V48-I120 HydrophobicContact CG2-CG1 4.4Å; V48-A142 HydrophobicContact CG2-CB 3.69Å; V48-L143 HydrophobicContact CG1-CD2 3.94Å; V48-L143 HydrophobicContact CG2-CD2 3.87Å; V48-L143 HydrophobicContact CG2-CG 4.12Å; V48-A146 HydrophobicContact CB-CB 4.21Å; V48-A146 HydrophobicContact CG1-CB 3.91Å; V48-I148 HydrophobicContact CG1-CD1 3.48Å; V48-I148 VanDerWaalsContact CG1-CD1 3.48Å
49V96.2Very high90.7Very high45 Ų4556 Ų5627%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-123.9121.6174.3-176.30000107.7D119 F121V49-D119 HydrophobicContact CB-CB 4.41Å; V49-D119 PolarHBondContact N-O 3.13Å; V49-D119 PolarHBondContact O-N 3.31Å; V49-F121 HydrophobicContact CB-CE2 4.35Å; V49-F121 HydrophobicContact CG2-CD2 4.28Å; V49-F121 HydrophobicContact CG2-CE2 3.95Å
50G92.4Very high89.6Confident5 Ų556.7 Ų56.75%0.05233%0.326CS..EExtended strand (participates in β ladder)trans132.9174.6178.600000113D32D32-G50 PolarHBondContact OD2-N 2.91Å
51P93.9Very high89.1Confident61 Ų6158.4 Ų58.440%0.39633%0.332SS..EExtended strand (participates in β ladder)cis-74128.68.928.7-35.2000113Y113 I118P51-Y113 HydrophobicContact CB-CD1 3.92Å; P51-Y113 HydrophobicContact CB-CG 4.26Å; P51-Y113 HydrophobicContact CG-CD1 3.63Å; P51-Y113 HydrophobicContact CG-CE1 3.84Å; P51-Y113 HydrophobicContact CG-CG 4.42Å; P51-I118 HydrophobicContact CB-CG1 4.46Å
52H93Very high88.6Confident47 Ų4757.8 Ų57.822%0.21833%0.333CS..EExtended strand (participates in β ladder)trans-129.1165.6175.366.378.1000111.7S116 Q117 D119H52-S116 CarbonylContact O-C 3.52Å; H52-S116 WeakPolarHBondContact O-CA 3.44Å; H52-Q117 PolarHBondContact N-O 2.9Å; H52-Q117 PolarHBondContact O-N 2.91Å; H52-D119 IonicContact CE1-OD2 3.42Å; H52-D119 IonicContact NE2-OD2 2.95Å; H52-D119 PolarHBondContact NE2-OD2 3.5Å; H52-D119 VanDerWaalsContact NE2-OD2 3.16Å
53A91.1Very high88.3Confident76 Ų7664.3 Ų64.363%0.62837%0.368SS*.  trans-64.1140.4176.200000111
54P88.7Confident88.1Confident30 Ų3061.7 Ų61.720%0.19536%0.358CS..  trans-61.5140.4-179.523.9-33.8000111V56 M115 Q117P54-V56 VanDerWaalsContact C-N 3.35Å; P54-V56 PolarHBondContact O-N 3.32Å; P54-M115 WeakPolarHBondContact CD-O 3.42Å; P54-Q117 VanDerWaalsContact CA-OE1 3.29Å; P54-Q117 HydrophobicContact CB-CB 4.37Å
55R84.3Confident87.8Confident191 Ų19162.1 Ų62.172%0.72136%0.361SS*.SBendtrans-67.4-38.3-176.9-64.4-173.7-171.4-168.53.6112.1D119R55-D119 IonicContact NH2-OD2 3.84Å
56V83.5Confident87.7Confident95 Ų9561.7 Ų61.758%0.57636%0.36SS*.SBendtrans-96.6118.5179.6-176.80000108.5P54 G58 D59P54-V56 VanDerWaalsContact C-N 3.35Å; P54-V56 PolarHBondContact O-N 3.32Å; V56-G58 PolarHBondContact O-N 3.43Å; V56-G58 VanDerWaalsContact O-N 3.09Å; V56-D59 HydrophobicContact CB-CB 4.18Å; V56-D59 PolarHBondContact O-N 3.37Å
57K72Confident87.6Confident212 Ų21262.7 Ų62.792%0.92237%0.365SS*.THydrogen-bonded Turntrans-60.8115.1173.2-75.1-175.9176.1-179.20109
58G72.1Confident87.5Confident82 Ų8263.1 Ų63.185%0.84537%0.367SS*.THydrogen-bonded Turntrans113.6-11.1179.100000115.2V56 G60V56-G58 PolarHBondContact O-N 3.43Å; V56-G58 VanDerWaalsContact O-N 3.09Å; G58-G60 VanDerWaalsContact C-N 3.33Å
59D74.4Confident87.4Confident96 Ų9663.5 Ų63.551%0.51337%0.37SS..  trans-91-1.2178.7-149.325.4000113V56 T61 T66V56-D59 HydrophobicContact CB-CB 4.18Å; V56-D59 PolarHBondContact O-N 3.37Å; D59-T61 PolarHBondContact O-N 2.8Å; D59-T66 PolarHBondContact O-OG1 3.42Å
60G73.1Confident87.4Confident16 Ų1666.4 Ų66.417%0.16538%0.38CS..SBendtrans-75.1123.6175.200000110.5G58G58-G60 VanDerWaalsContact C-N 3.33Å
61T82.5Confident87.5Confident63 Ų6367 Ų6739%0.38738%0.382SS..  trans-69.7125.4166.346.10000108.5D59 D63 G64 M115D59-T61 PolarHBondContact O-N 2.8Å; T61-D63 PolarHBondContact O-N 3.01Å; T61-G64 PolarHBondContact O-N 3.38Å; T61-G64 VanDerWaalsContact OG1-C 3.27Å; T61-G64 PolarHBondContact OG1-O 2.8Å; T61-G64 VanDerWaalsContact OG1-O 3.05Å; T61-M115 PolarHBondContact O-N 3.13Å; T61-M115 VanDerWaalsContact O-N 3.16Å
62P85.1Confident87.5Confident77 Ų7767.3 Ų67.350%0.538%0.382SS..THydrogen-bonded Turntrans-64.7-33.1-176.424.3-32.8000112.3P114 M115P62-P114 WeakPolarHBondContact O-CB 3.37Å; P62-M115 HydrophobicContact CB-CE 3.66Å; P62-M115 HydrophobicContact CB-SD 4.4Å
63D89.1Confident87.3Confident137 Ų13766.7 Ų66.773%0.73338%0.379SS*.THydrogen-bonded Turntrans-96.51-172.8-57.8-27.8000112.9T61T61-D63 PolarHBondContact O-N 3.01Å
64G91.3Very high87.2Confident5 Ų563.6 Ų63.65%0.05235%0.352CS..SBendtrans-169-164.8-178.600000115.4T61 T110 Y113 M115T61-G64 PolarHBondContact O-N 3.38Å; T61-G64 VanDerWaalsContact OG1-C 3.27Å; T61-G64 PolarHBondContact OG1-O 2.8Å; T61-G64 VanDerWaalsContact OG1-O 3.05Å; G64-T110 CarbonylContact C-O 3.55Å; G64-T110 WeakPolarHBondContact CA-O 3.09Å; G64-Y113 CarbonylContact C-O 3.19Å; G64-Y113 VanDerWaalsContact O-O 3.13Å; G64-M115 PolarHBondContact O-N 3.02Å; G64-M115 VanDerWaalsContact O-N 3.12Å
65A92.9Very high87Confident9 Ų964.3 Ų64.37%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-98.4136.4178.200000111.1T110 Y113 S116 I118A65-T110 HydrophobicContact CB-CG2 4.25Å; A65-T110 PolarHBondContact N-O 3.41Å; A65-T110 VanDerWaalsContact N-O 3.13Å; A65-Y113 WeakPolarHBondContact CA-O 3.35Å; A65-Y113 PolarHBondContact N-O 3.46Å; A65-S116 CarbonylContact C-O 3.58Å; A65-S116 VanDerWaalsContact CA-O 3.26Å; A65-S116 WeakPolarHBondContact CA-O 3.44Å; A65-I118 HydrophobicContact CB-CD1 4.19Å
66T93.9Very high87.1Confident28 Ų2862.3 Ų62.317%0.17235%0.354CS..EExtended strand (participates in β ladder)trans-83.9125.4167.4-55.30000108.9D59 T68 S116 Q117 I118D59-T66 PolarHBondContact O-OG1 3.42Å; T66-T68 HydrophobicContact CG2-CG2 4.34Å; T66-S116 PolarHBondContact N-O 2.9Å; T66-Q117 CarbonylContact O-C 3.58Å; T66-Q117 VanDerWaalsContact O-CA 3.27Å; T66-Q117 WeakPolarHBondContact O-CA 3.37Å; T66-I118 PolarHBondContact O-N 3.12Å
67I95.1Very high87.2Confident20 Ų2057.9 Ų57.910%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-102.3127.1177.7-62.4157.6000107.8I108 T110 I118 I120I67-I108 HydrophobicContact CD1-CB 4.25Å; I67-I108 HydrophobicContact CD1-CD1 3.83Å; I67-I108 HydrophobicContact CG1-CD1 4.23Å; I67-T110 HydrophobicContact CD1-CG2 3.91Å; I67-I118 WeakPolarHBondContact CA-O 3.26Å; I67-I120 HydrophobicContact CG2-CD1 3.78Å
68T95Very high87.6Confident31 Ų3148.6 Ų48.619%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-121.2141.4173.283.10000109.7T66 E101 Q117 I118 D119 I120T66-T68 HydrophobicContact CG2-CG2 4.34Å; T68-E101 WeakPolarHBondContact CA-OE1 3.35Å; T68-Q117 HydrophobicContact CG2-CG 4.3Å; T68-I118 PolarHBondContact N-O 2.87Å; T68-D119 PolarHBondContact OG1-OD1 3.15Å; T68-I120 PolarHBondContact O-N 2.87Å
69C96.3Very high87.7Confident8 Ų848 Ų485%0.05427%0.269CS..EExtended strand (participates in β ladder)trans-127.1131.4178.5-171.80000110A97 I100 E101 I120C69-A97 HydrophobicContact CB-CB 4.44Å; C69-A97 WeakPolarHBondContact O-CB 3.1Å; C69-I100 HydrophobicContact CB-CG2 4.37Å; C69-E101 HydrophobicContact CB-CG 3.44Å; C69-E101 VanDerWaalsContact CB-CG 3.44Å; C69-E101 PolarHBondContact N-OE1 2.91Å; C69-I120 CarbonylContact C-O 3.59Å; C69-I120 VanDerWaalsContact CA-O 3.28Å; C69-I120 WeakPolarHBondContact CA-O 3.31Å; C69-I120 HydrophobicContact CB-CB 4.35Å
70Q95.4Very high87.5Confident106 Ų10645.2 Ų45.250%0.49526%0.257SS..EExtended strand (participates in β ladder)trans-115.3117.1170.4-65.1-172.71000109.2I120 F121 L122Q70-I120 PolarHBondContact N-O 3.07Å; Q70-F121 HydrophobicContact CB-CD1 3.97Å; Q70-F121 HydrophobicContact CB-CE1 4.41Å; Q70-F121 HydrophobicContact CG-CD1 4.3Å; Q70-F121 HydrophobicContact CG-CE1 4.24Å; Q70-L122 PolarHBondContact O-N 3.22Å
71F95.1Very high87.2Confident17 Ų1748 Ų488%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-104.4117.2175.9-172.6-84.9000110K73 A93 F96 A97 L122 V124 E131 A135F71-K73 HydrophobicContact CE1-CB 4.38Å; F71-A93 HydrophobicContact CD1-CB 3.82Å; F71-F96 HydrophobicContact CD1-CB 4.41Å; F71-F96 HydrophobicContact CD1-CD2 4.31Å; F71-F96 HydrophobicContact CD2-CB 4.22Å; F71-F96 AromaticContact CE1-CD2 3.81Å; F71-F96 HydrophobicContact CE1-CD2 3.81Å; F71-F96 HydrophobicContact CE2-CD2 4.13Å; F71-F96 HydrophobicContact CG-CB 4.16Å; F71-F96 AromaticContact CZ-CD2 3.7Å; F71-F96 HydrophobicContact CZ-CD2 3.7Å; F71-F96 HydrophobicContact CZ-CE2 4.37Å; F71-A97 HydrophobicContact CB-CB 4.02Å; F71-L122 HydrophobicContact CD2-CB 3.9Å; F71-L122 HydrophobicContact CD2-CD1 4.08Å; F71-V124 HydrophobicContact CE1-CG2 4.08Å; F71-V124 HydrophobicContact CE2-CG2 3.92Å; F71-V124 HydrophobicContact CZ-CG2 3.4Å; F71-E131 HydrophobicContact CZ-CG 4.02Å; F71-E131 VanDerWaalsContact CZ-OE1 3.29Å; F71-E131 WeakPolarHBondContact CZ-OE1 3.43Å; F71-A135 HydrophobicContact CD2-CB 4.44Å; F71-A135 HydrophobicContact CE2-CB 3.78Å
72T92.8Very high86.4Confident67 Ų6751.7 Ų51.741%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-119.5129-179-57.10000110.9L122 E123 V124T72-L122 PolarHBondContact N-O 3.23Å; T72-E123 WeakPolarHBondContact O-CA 3.4Å; T72-V124 PolarHBondContact O-N 3.25Å
73K90.3Very high85.4Confident34 Ų3459.2 Ų59.215%0.14832%0.317CS..  trans-117103.3172.9-173.1174.4-170.1155.10110.3F71 A77 V124 S127 E131F71-K73 HydrophobicContact CE1-CB 4.38Å; K73-A77 HydrophobicContact CG-CB 4.08Å; K73-V124 HydrophobicContact CG-CB 4.43Å; K73-S127 PolarHBondContact NZ-OG 2.96Å; K73-S127 VanDerWaalsContact NZ-OG 3.11Å; K73-E131 WeakPolarHBondContact CD-OE1 3.45Å; K73-E131 IonicContact NZ-OE1 3.86Å; K73-E131 PolarHBondContact NZ-OE1 3.12Å; K73-E131 IonicContact NZ-OE2 3.82Å; K73-E131 PolarHBondContact NZ-OE2 3.3Å
74P87.6Confident84.4Confident11 Ų1158.2 Ų58.27%0.07130%0.303CS..  trans-61.4151.6174.517.8-26.1000111.8F76 A77 E123 V124P74-F76 HydrophobicContact CB-CD1 4.06Å; P74-F76 HydrophobicContact CB-CD2 4.37Å; P74-F76 HydrophobicContact CB-CE1 3.57Å; P74-F76 HydrophobicContact CB-CE2 3.91Å; P74-F76 HydrophobicContact CB-CG 4.44Å; P74-F76 HydrophobicContact CB-CZ 3.48Å; P74-F76 VanDerWaalsContact CB-CZ 3.48Å; P74-F76 HydrophobicContact CG-CE1 4.35Å; P74-F76 HydrophobicContact CG-CE2 3.84Å; P74-F76 HydrophobicContact CG-CZ 3.76Å; P74-F76 PolarHBondContact O-N 3.34Å; P74-F76 VanDerWaalsContact O-N 3.16Å; P74-A77 HydrophobicContact CG-CB 4.12Å; P74-A77 WeakPolarHBondContact O-CB 3.21Å; P74-A77 PolarHBondContact O-N 3.35Å; P74-E123 HydrophobicContact CG-CG 4.44Å; P74-V124 WeakPolarHBondContact CD-O 3.45Å; P74-V124 VanDerWaalsContact CG-O 3.25Å; P74-V124 WeakPolarHBondContact CG-O 3.3Å
75P84.9Confident83.2Confident45 Ų4567.5 Ų67.529%0.29234%0.342SS..THydrogen-bonded Turntrans-68.3-20.3-17128.7-36.7000113R84 L86P75-R84 WeakPolarHBondContact CB-O 3.32Å; P75-L86 HydrophobicContact CB-CD1 4.46Å; P75-L86 HydrophobicContact CG-CD1 3.71Å; P75-L86 HydrophobicContact CG-CG 4.24Å
76F86.6Confident81.9Confident150 Ų15073.1 Ų73.166%0.65837%0.37SS*.THydrogen-bonded Turntrans-87.9-7.9176.256.5-103.6000113.4P74 S78P74-F76 HydrophobicContact CB-CD1 4.06Å; P74-F76 HydrophobicContact CB-CD2 4.37Å; P74-F76 HydrophobicContact CB-CE1 3.57Å; P74-F76 HydrophobicContact CB-CE2 3.91Å; P74-F76 HydrophobicContact CB-CG 4.44Å; P74-F76 HydrophobicContact CB-CZ 3.48Å; P74-F76 VanDerWaalsContact CB-CZ 3.48Å; P74-F76 HydrophobicContact CG-CE1 4.35Å; P74-F76 HydrophobicContact CG-CE2 3.84Å; P74-F76 HydrophobicContact CG-CZ 3.76Å; P74-F76 PolarHBondContact O-N 3.34Å; P74-F76 VanDerWaalsContact O-N 3.16Å; F76-S78 VanDerWaalsContact C-N 3.29Å; F76-S78 PolarHBondContact O-N 3.08Å
77A85.3Confident80.6Confident1 Ų175.5 Ų75.51%0.00839%0.388CS..  trans-68-29.4-174.900000113.2K73 P74 T79 V124 I125 Q126 S127K73-A77 HydrophobicContact CG-CB 4.08Å; P74-A77 HydrophobicContact CG-CB 4.12Å; P74-A77 WeakPolarHBondContact O-CB 3.21Å; P74-A77 PolarHBondContact O-N 3.35Å; A77-T79 PolarHBondContact O-N 3.16Å; A77-V124 HydrophobicContact CB-CG1 4.35Å; A77-V124 WeakPolarHBondContact CB-O 3.43Å; A77-I125 WeakPolarHBondContact CA-O 3.31Å; A77-Q126 CarbonylContact O-C 3.54Å; A77-S127 PolarHBondContact O-N 2.69Å
78S80.4Confident79.1Confident17 Ų1780.8 Ų80.812%0.11943%0.427CS..BIsolated β-bridgetrans-75.3120.6-177.9-171.90000111F76 S80 G81F76-S78 VanDerWaalsContact C-N 3.29Å; F76-S78 PolarHBondContact O-N 3.08Å; S78-S80 PolarHBondContact O-N 2.92Å; S78-S80 WeakPolarHBondContact OG-CB 3.38Å; S78-S80 PolarHBondContact OG-N 3.31Å; S78-S80 PolarHBondContact OG-OG 3.34Å; S78-G81 PolarHBondContact O-N 3.42Å
79T75.5Confident78Confident71 Ų7187.9 Ų87.944%0.43646%0.455SS..THydrogen-bonded Turntrans-67.21.4172.1-42.50000112.5A77 G81 S127 R172A77-T79 PolarHBondContact O-N 3.16Å; T79-G81 VanDerWaalsContact C-N 3.26Å; T79-G81 PolarHBondContact O-N 2.86Å; T79-S127 PolarHBondContact OG1-O 2.74Å; T79-R172 PolarHBondContact O-NH1 2.99Å
80S70.2Confident77.3Confident37 Ų3790.5 Ų90.526%0.25947%0.468SS..THydrogen-bonded Turntrans-70.7-16.8175.864.30000114.8S78 E82 R172S78-S80 PolarHBondContact O-N 2.92Å; S78-S80 WeakPolarHBondContact OG-CB 3.38Å; S78-S80 PolarHBondContact OG-N 3.31Å; S78-S80 PolarHBondContact OG-OG 3.34Å; S80-E82 PolarHBondContact O-N 3.28Å; S80-E82 VanDerWaalsContact O-N 3.16Å; S80-E82 WeakPolarHBondContact OG-CB 3.36Å; S80-E82 PolarHBondContact OG-N 3.49Å; S80-R172 VanDerWaalsContact CA-NH2 3.25Å; S80-R172 VanDerWaalsContact CB-CZ 3.47Å
81G65.6Low76.8Confident75 Ų7595.3 Ų95.377%0.77348%0.482SS*.  trans69.9-0.7-170.400000113.6S78 T79 R83S78-G81 PolarHBondContact O-N 3.42Å; T79-G81 VanDerWaalsContact C-N 3.26Å; T79-G81 PolarHBondContact O-N 2.86Å; G81-R83 PolarHBondContact O-N 3.03Å
82E66.4Low76.4Confident139 Ų13996.8 Ų96.865%0.6550%0.495SS*.  trans-82.8112.5179.5-166.8162.5-161.100109.6S80 R84S80-E82 PolarHBondContact O-N 3.28Å; S80-E82 VanDerWaalsContact O-N 3.16Å; S80-E82 WeakPolarHBondContact OG-CB 3.36Å; S80-E82 PolarHBondContact OG-N 3.49Å; E82-R84 PolarHBondContact O-N 3.45Å
83R63.8Low76.3Confident235 Ų23594.2 Ų94.289%0.88748%0.48SS*.  trans-72.294.1-177.7-169173.9-174.6166.61.6109.8G81G81-R83 PolarHBondContact O-N 3.03Å
84R67.7Low76.4Confident117 Ų11797.6 Ų97.644%0.44250%0.5SS..  trans-70.7136.2170.1-64.6-171-164.5175.92.5109.5P75 E82P75-R84 WeakPolarHBondContact CB-O 3.32Å; E82-R84 PolarHBondContact O-N 3.45Å
85K66.5Low76.7Confident199 Ų199100.9 Ų100.987%0.86552%0.517SS*.  trans-74.6131165.4-72.2-176.9177.8-178.90107.8S87K85-S87 PolarHBondContact O-N 2.98Å
86L65.9Low77.2Confident127 Ų12799.9 Ų99.967%0.66551%0.508SS*.  trans-59.7106.4166.5-78.2135.6000107.3P75P75-L86 HydrophobicContact CB-CD1 4.46Å; P75-L86 HydrophobicContact CG-CD1 3.71Å; P75-L86 HydrophobicContact CG-CG 4.24Å
87S65.9Low77.7Confident78 Ų7893 Ų9355%0.54548%0.479SS..  trans-96.2130.8167.8179.20000107K85 K89 D90K85-S87 PolarHBondContact O-N 2.98Å; S87-K89 PolarHBondContact O-N 3.45Å; S87-K89 PolarHBondContact OG-N 3.04Å; S87-D90 PolarHBondContact O-N 3.03Å
88S64.6Low78.2Confident132 Ų13295.4 Ų95.492%0.92349%0.493SS*.THydrogen-bonded Turntrans-59.2-6.9173.2-174.80000113.2
89K70.8Confident78.9Confident179 Ų17995 Ų9578%0.77849%0.491SS*.THydrogen-bonded Turntrans-131.256177.4-66.3-175.7176.5-176.80110.7S87 R91S87-K89 PolarHBondContact O-N 3.45Å; S87-K89 PolarHBondContact OG-N 3.04Å; K89-R91 PolarHBondContact O-N 2.95Å; K89-R91 VanDerWaalsContact O-N 3.1Å
90D81.5Confident79.9Confident63 Ų6391.6 Ų91.634%0.33747%0.47SS..  trans-68.7105.5167.2-169.8-9.2000108.7S87 S92 A93 N94S87-D90 PolarHBondContact O-N 3.03Å; D90-S92 PolarHBondContact O-N 3.12Å; D90-S92 PolarHBondContact OD1-N 2.86Å; D90-S92 VanDerWaalsContact OD1-N 3.13Å; D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 2.84Å; D90-N94 PolarHBondContact O-N 3.16Å; D90-N94 VanDerWaalsContact O-N 3.07Å
91R86.5Confident81.1Confident207 Ų20792.4 Ų92.478%0.78147%0.47SS*.Hα-helixtrans-58.2-39.1-179.2-67.9-175-175.9-178.60.4111.3K89 A93 N94 D95K89-R91 PolarHBondContact O-N 2.95Å; K89-R91 VanDerWaalsContact O-N 3.1Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 3.2Å; R91-N94 PolarHBondContact O-N 3.47Å; R91-D95 WeakPolarHBondContact O-CB 3.42Å; R91-D95 PolarHBondContact O-N 2.71Å
92S86.3Confident82.5Confident49 Ų4994.1 Ų94.134%0.34346%0.458SS..Hα-helixtrans-66.5-36.5-178.5-172.90000112D90 F96D90-S92 PolarHBondContact O-N 3.12Å; D90-S92 PolarHBondContact OD1-N 2.86Å; D90-S92 VanDerWaalsContact OD1-N 3.13Å; S92-F96 WeakPolarHBondContact O-CG 3.1Å; S92-F96 PolarHBondContact O-N 3.16Å
93A90.3Very high83.9Confident13 Ų1387.8 Ų87.811%0.10743%0.428CS..Hα-helixtrans-68.1-43.1176.200000110.8F71 D90 R91 F96 A97F71-A93 HydrophobicContact CD1-CB 3.82Å; D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 2.84Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 3.2Å; A93-F96 PolarHBondContact O-N 2.73Å; A93-A97 PolarHBondContact O-N 2.93Å
94N92.8Very high85.5Confident104 Ų10476.6 Ų76.656%0.55639%0.386SS*.Hα-helixtrans-64.5-42.3177.4-158.671.2000111.9D90 R91 F96 A97 T98D90-N94 PolarHBondContact O-N 3.16Å; D90-N94 VanDerWaalsContact O-N 3.07Å; R91-N94 PolarHBondContact O-N 3.47Å; N94-F96 VanDerWaalsContact C-N 3.26Å; N94-F96 PolarHBondContact O-N 3.24Å; N94-A97 PolarHBondContact O-N 2.82Å; N94-T98 PolarHBondContact O-N 2.84Å; N94-T98 PolarHBondContact O-OG1 3.35Å; N94-T98 VanDerWaalsContact O-OG1 3.12Å
95D94Very high86.7Confident81 Ų8173.7 Ų73.743%0.43338%0.384SS..Hα-helixtrans-60-37.4176-66.4-12.1000111.8R91 A99R91-D95 WeakPolarHBondContact O-CB 3.42Å; R91-D95 PolarHBondContact O-N 2.71Å; D95-A99 VanDerWaalsContact O-CB 3.3Å; D95-A99 WeakPolarHBondContact O-CB 3.41Å; D95-A99 PolarHBondContact O-N 2.77Å; D95-A99 VanDerWaalsContact O-N 3.17Å
96F95Very high87.9Confident23 Ų2368.3 Ų68.310%0.10137%0.37CS..Hα-helixtrans-71.2-43.1175-71.2-11.2000112F71 S92 A93 N94 A99 I100 F132F71-F96 HydrophobicContact CD1-CB 4.41Å; F71-F96 HydrophobicContact CD1-CD2 4.31Å; F71-F96 HydrophobicContact CD2-CB 4.22Å; F71-F96 AromaticContact CE1-CD2 3.81Å; F71-F96 HydrophobicContact CE1-CD2 3.81Å; F71-F96 HydrophobicContact CE2-CD2 4.13Å; F71-F96 HydrophobicContact CG-CB 4.16Å; F71-F96 AromaticContact CZ-CD2 3.7Å; F71-F96 HydrophobicContact CZ-CD2 3.7Å; F71-F96 HydrophobicContact CZ-CE2 4.37Å; S92-F96 WeakPolarHBondContact O-CG 3.1Å; S92-F96 PolarHBondContact O-N 3.16Å; A93-F96 PolarHBondContact O-N 2.73Å; N94-F96 VanDerWaalsContact C-N 3.26Å; N94-F96 PolarHBondContact O-N 3.24Å; F96-A99 PolarHBondContact O-N 2.88Å; F96-I100 WeakPolarHBondContact O-CB 3.42Å; F96-I100 WeakPolarHBondContact O-CG1 3.42Å; F96-I100 PolarHBondContact O-N 2.91Å; F96-F132 HydrophobicContact CB-CD2 4.12Å; F96-F132 HydrophobicContact CD1-CB 4.29Å; F96-F132 AromaticContact CD1-CD2 3.51Å; F96-F132 HydrophobicContact CD1-CD2 3.51Å; F96-F132 HydrophobicContact CD1-CE2 4.18Å; F96-F132 HydrophobicContact CD1-CG 4.16Å; F96-F132 HydrophobicContact CD2-CD2 4.45Å; F96-F132 HydrophobicContact CE1-CB 3.92Å; F96-F132 AromaticContact CE1-CD2 3.97Å; F96-F132 HydrophobicContact CE1-CD2 3.97Å; F96-F132 HydrophobicContact CE1-CG 4.15Å; F96-F132 HydrophobicContact CE2-CB 4.28Å; F96-F132 AromaticContact CG-CD2 3.79Å; F96-F132 HydrophobicContact CG-CD2 3.79Å; F96-F132 HydrophobicContact CZ-CB 3.92Å
97A96Very high89.2Confident5 Ų562.3 Ų62.34%0.04134%0.339CS..Hα-helixtrans-57.9-52.2176.900000111.4C69 F71 A93 N94 A99 I100 E101C69-A97 HydrophobicContact CB-CB 4.44Å; C69-A97 WeakPolarHBondContact O-CB 3.1Å; F71-A97 HydrophobicContact CB-CB 4.02Å; A93-A97 PolarHBondContact O-N 2.93Å; N94-A97 PolarHBondContact O-N 2.82Å; A97-A99 PolarHBondContact O-N 2.87Å; A97-I100 PolarHBondContact O-N 2.84Å; A97-I100 VanDerWaalsContact O-N 3.12Å; A97-E101 WeakPolarHBondContact O-CG 3.25Å; A97-E101 PolarHBondContact O-N 2.83Å
98T95.6Very high90.5Very high52 Ų5258.9 Ų58.932%0.31931%0.314SS..Hα-helixtrans-62.1-42.1179.7-53.60000112N94 I100 E101 E102N94-T98 PolarHBondContact O-N 2.84Å; N94-T98 PolarHBondContact O-OG1 3.35Å; N94-T98 VanDerWaalsContact O-OG1 3.12Å; T98-I100 VanDerWaalsContact C-N 3.29Å; T98-I100 PolarHBondContact O-N 3.25Å; T98-E101 PolarHBondContact O-N 3.2Å; T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 2.89Å
99A96.1Very high91.9Very high8 Ų857.4 Ų57.47%0.06629%0.289CS..Hα-helixtrans-62.6-36.9176.300000112.2D95 F96 A97 I103 F132D95-A99 VanDerWaalsContact O-CB 3.3Å; D95-A99 WeakPolarHBondContact O-CB 3.41Å; D95-A99 PolarHBondContact O-N 2.77Å; D95-A99 VanDerWaalsContact O-N 3.17Å; F96-A99 PolarHBondContact O-N 2.88Å; A97-A99 PolarHBondContact O-N 2.87Å; A99-I103 WeakPolarHBondContact O-CB 3.27Å; A99-I103 VanDerWaalsContact O-CD1 3.25Å; A99-I103 WeakPolarHBondContact O-CD1 3.39Å; A99-I103 WeakPolarHBondContact O-CG1 3.36Å; A99-I103 PolarHBondContact O-N 3.16Å; A99-F132 HydrophobicContact CB-CE2 3.89Å; A99-F132 HydrophobicContact CB-CZ 3.95Å
100I96.8Very high93Very high0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-69.4-41.7177.2-70172.5000110.6C69 F96 A97 T98 E102 I103 F104 L122 F132 A135 V136 T139C69-I100 HydrophobicContact CB-CG2 4.37Å; F96-I100 WeakPolarHBondContact O-CB 3.42Å; F96-I100 WeakPolarHBondContact O-CG1 3.42Å; F96-I100 PolarHBondContact O-N 2.91Å; A97-I100 PolarHBondContact O-N 2.84Å; A97-I100 VanDerWaalsContact O-N 3.12Å; T98-I100 VanDerWaalsContact C-N 3.29Å; T98-I100 PolarHBondContact O-N 3.25Å; I100-E102 PolarHBondContact O-N 2.9Å; I100-I103 PolarHBondContact O-N 2.86Å; I100-F104 HydrophobicContact CG2-CD2 3.66Å; I100-F104 HydrophobicContact CG2-CE2 3.89Å; I100-F104 VanDerWaalsContact O-CD2 3.28Å; I100-F104 WeakPolarHBondContact O-CD2 3.48Å; I100-F104 PolarHBondContact O-N 2.86Å; I100-L122 HydrophobicContact CD1-CD1 3.38Å; I100-L122 HydrophobicContact CG2-CD1 4.32Å; I100-F132 HydrophobicContact CD1-CE2 4.43Å; I100-F132 HydrophobicContact CG1-CE2 3.97Å; I100-A135 HydrophobicContact CD1-CB 4.15Å; I100-V136 HydrophobicContact CD1-CG2 4.46Å; I100-V136 HydrophobicContact CG1-CG2 4.03Å; I100-T139 HydrophobicContact CG2-CG2 4.35Å
101E96.1Very high93.6Very high54 Ų5455.3 Ų55.325%0.25228%0.282SS..Hα-helixtrans-57.1-49173.3-68.7169166.900111.5T68 C69 A97 T98 I103 F104 S105T68-E101 WeakPolarHBondContact CA-OE1 3.35Å; C69-E101 HydrophobicContact CB-CG 3.44Å; C69-E101 VanDerWaalsContact CB-CG 3.44Å; C69-E101 PolarHBondContact N-OE1 2.91Å; A97-E101 WeakPolarHBondContact O-CG 3.25Å; A97-E101 PolarHBondContact O-N 2.83Å; T98-E101 PolarHBondContact O-N 3.2Å; E101-I103 PolarHBondContact O-N 3.37Å; E101-F104 PolarHBondContact O-N 2.97Å; E101-S105 VanDerWaalsContact O-CB 3.3Å; E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.07Å; E101-S105 PolarHBondContact O-OG 3.31Å; E101-S105 VanDerWaalsContact O-OG 3.1Å
102E95.2Very high93.9Very high111 Ų11150.6 Ų50.652%0.51927%0.267SS..Hα-helixtrans-60-43.7177.6-72.8175.9-176.200112.2T98 I100 S105 C106T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 2.89Å; I100-E102 PolarHBondContact O-N 2.9Å; E102-S105 PolarHBondContact O-OG 2.78Å; E102-C106 PolarHBondContact O-SG 3.33Å
103I95.1Very high94.2Very high6 Ų650.3 Ų50.33%0.03126%0.259CS..Hα-helixtrans-61.8-50.4177.5-71159.8000110.7A99 I100 E101 C106 V107 F132 V136 V154 V185 L212 H213A99-I103 WeakPolarHBondContact O-CB 3.27Å; A99-I103 VanDerWaalsContact O-CD1 3.25Å; A99-I103 WeakPolarHBondContact O-CD1 3.39Å; A99-I103 WeakPolarHBondContact O-CG1 3.36Å; A99-I103 PolarHBondContact O-N 3.16Å; I100-I103 PolarHBondContact O-N 2.86Å; E101-I103 PolarHBondContact O-N 3.37Å; I103-C106 PolarHBondContact O-N 3.28Å; I103-V107 VanDerWaalsContact O-CG2 3.31Å; I103-V107 WeakPolarHBondContact O-CG2 3.27Å; I103-F132 HydrophobicContact CD1-CZ 3.96Å; I103-V136 HydrophobicContact CD1-CG2 4.21Å; I103-V154 HydrophobicContact CG2-CG1 4.34Å; I103-V185 HydrophobicContact CD1-CB 4.44Å; I103-V185 HydrophobicContact CD1-CG1 4.29Å; I103-V185 HydrophobicContact CD1-CG2 3.86Å; I103-V185 HydrophobicContact CG2-CG1 3.97Å; I103-L212 HydrophobicContact CG2-CD1 4.38Å; I103-H213 HydrophobicContact CD1-CB 3.96Å; I103-H213 HydrophobicContact CG1-CB 3.85Å
104F96Very high94.3Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-79.8-22.7-172.7-76-73.8000113.5I100 E101 C106 V107 I108 V136 T139 T140 L143 M150 V154I100-F104 HydrophobicContact CG2-CD2 3.66Å; I100-F104 HydrophobicContact CG2-CE2 3.89Å; I100-F104 VanDerWaalsContact O-CD2 3.28Å; I100-F104 WeakPolarHBondContact O-CD2 3.48Å; I100-F104 PolarHBondContact O-N 2.86Å; E101-F104 PolarHBondContact O-N 2.97Å; F104-C106 PolarHBondContact O-N 3.25Å; F104-V107 PolarHBondContact O-N 3.13Å; F104-V107 VanDerWaalsContact O-N 3.12Å; F104-I108 HydrophobicContact CB-CD1 4.01Å; F104-I108 HydrophobicContact CB-CG1 4.42Å; F104-I108 WeakPolarHBondContact O-CB 3.43Å; F104-I108 WeakPolarHBondContact O-CG1 3.3Å; F104-I108 PolarHBondContact O-N 3.35Å; F104-V136 HydrophobicContact CE2-CG1 4.22Å; F104-V136 HydrophobicContact CZ-CG1 4.22Å; F104-T139 HydrophobicContact CD1-CG2 4.49Å; F104-T139 HydrophobicContact CD2-CG2 3.64Å; F104-T139 HydrophobicContact CE1-CG2 4.16Å; F104-T139 VanDerWaalsContact CE2-CB 3.48Å; F104-T139 HydrophobicContact CE2-CG2 3.26Å; F104-T139 HydrophobicContact CG-CG2 4.25Å; F104-T139 HydrophobicContact CZ-CG2 3.55Å; F104-T140 WeakPolarHBondContact CZ-OG1 3.25Å; F104-L143 HydrophobicContact CB-CD1 4.45Å; F104-L143 HydrophobicContact CD1-CD1 3.21Å; F104-L143 HydrophobicContact CE1-CD1 3.44Å; F104-L143 VanDerWaalsContact CE1-CD1 3.44Å; F104-L143 HydrophobicContact CG-CD1 3.82Å; F104-L143 HydrophobicContact CZ-CD1 4.2Å; F104-M150 HydrophobicContact CD1-SD 4.41Å; F104-M150 HydrophobicContact CE1-SD 4.36Å; F104-V154 HydrophobicContact CE1-CB 4.49Å; F104-V154 HydrophobicContact CE1-CG2 4.26Å
105S93.3Very high94.2Very high56 Ų5653.1 Ų53.139%0.39227%0.274SS..Hα-helixtrans-62.7-29.3168.662.80000113.6E101 E102E101-S105 VanDerWaalsContact O-CB 3.3Å; E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.07Å; E101-S105 PolarHBondContact O-OG 3.31Å; E101-S105 VanDerWaalsContact O-OG 3.1Å; E102-S105 PolarHBondContact O-OG 2.78Å
106C91.7Very high94.2Very high87 Ų8750.4 Ų50.459%0.58826%0.261SS*.THydrogen-bonded Turntrans-80.2-17174.4-61.10000113.5E102 I103 F104E102-C106 PolarHBondContact O-SG 3.33Å; I103-C106 PolarHBondContact O-N 3.28Å; F104-C106 PolarHBondContact O-N 3.25Å
107V93Very high94.1Very high1 Ų150.1 Ų50.11%0.00626%0.26CS..THydrogen-bonded Turntrans-110.5-36.5-167.5171.50000112.4I103 F104 M150 D151 V154 L187 L212I103-V107 VanDerWaalsContact O-CG2 3.31Å; I103-V107 WeakPolarHBondContact O-CG2 3.27Å; F104-V107 PolarHBondContact O-N 3.13Å; F104-V107 VanDerWaalsContact O-N 3.12Å; V107-M150 HydrophobicContact CG1-CB 4.01Å; V107-M150 HydrophobicContact CG1-CG 4.23Å; V107-M150 HydrophobicContact CG1-SD 4.16Å; V107-M150 WeakPolarHBondContact O-CA 3.41Å; V107-D151 PolarHBondContact O-N 2.86Å; V107-V154 HydrophobicContact CB-CG2 4.17Å; V107-V154 HydrophobicContact CG1-CG2 3.66Å; V107-V154 HydrophobicContact CG2-CG2 3.61Å; V107-L187 HydrophobicContact CG2-CD2 4.19Å; V107-L212 HydrophobicContact CG2-CD1 3.49Å; V107-L212 VanDerWaalsContact CG2-CD1 3.49Å
108I94.8Very high94.1Very high5 Ų549.9 Ų49.93%0.02626%0.258CS..BIsolated β-bridgetrans-75.8136175.9-64.5171.6000108.1I67 F104 T110 I118 L143 I148 M150I67-I108 HydrophobicContact CD1-CB 4.25Å; I67-I108 HydrophobicContact CD1-CD1 3.83Å; I67-I108 HydrophobicContact CG1-CD1 4.23Å; F104-I108 HydrophobicContact CB-CD1 4.01Å; F104-I108 HydrophobicContact CB-CG1 4.42Å; F104-I108 WeakPolarHBondContact O-CB 3.43Å; F104-I108 WeakPolarHBondContact O-CG1 3.3Å; F104-I108 PolarHBondContact O-N 3.35Å; I108-T110 HydrophobicContact CB-CG2 4.5Å; I108-T110 HydrophobicContact CG2-CG2 4.33Å; I108-T110 PolarHBondContact O-N 3.49Å; I108-I118 HydrophobicContact CD1-CD1 4.45Å; I108-I118 HydrophobicContact CG2-CD1 4.05Å; I108-L143 HydrophobicContact CD1-CD1 3.87Å; I108-L143 HydrophobicContact CD1-CD2 3.94Å; I108-L143 HydrophobicContact CG1-CD1 4.31Å; I108-I148 HydrophobicContact CD1-CG2 4.39Å; I108-I148 HydrophobicContact CG1-CG2 4.3Å; I108-I148 HydrophobicContact CG2-CG2 3.77Å; I108-M150 HydrophobicContact CG1-CG 3.98Å; I108-M150 HydrophobicContact CG1-SD 4.46Å
109R93.7Very high94.2Very high102 Ų10247.6 Ų47.639%0.38524%0.244SC..  trans-75.674.6172.7-67.9-177.6176.5176.2-4.8110.2E111 K112 E149 D151R109-E111 PolarHBondContact O-N 2.98Å; R109-K112 HydrophobicContact CB-CD 4.14Å; R109-K112 HydrophobicContact CB-CG 4.15Å; R109-K112 WeakPolarHBondContact O-CB 3.34Å; R109-K112 PolarHBondContact O-N 2.89Å; R109-E149 WeakPolarHBondContact CD-OE1 3.3Å; R109-E149 IonicContact CZ-OE1 3.93Å; R109-E149 PolarHBondContact N-O 3.31Å; R109-E149 IonicContact NE-OE1 3.49Å; R109-E149 IonicContact NH1-OE1 2.7Å; R109-E149 PolarHBondContact NH1-OE1 3.47Å; R109-D151 IonicContact CZ-OD1 2.63Å; R109-D151 VanDerWaalsContact CZ-OD1 3.23Å; R109-D151 IonicContact NE-OD1 2.73Å; R109-D151 PolarHBondContact NE-OD1 2.94Å; R109-D151 IonicContact NH2-OD1 3.63Å; R109-D151 PolarHBondContact NH2-OD1 2.91Å
110T93.1Very high94.2Very high34 Ų3447.3 Ų47.321%0.20924%0.241CC..G310 helixtrans-55.9-34.9-176.252.10000112.4G64 A65 I67 I108 K112 Y113G64-T110 CarbonylContact C-O 3.55Å; G64-T110 WeakPolarHBondContact CA-O 3.09Å; A65-T110 HydrophobicContact CB-CG2 4.25Å; A65-T110 PolarHBondContact N-O 3.41Å; A65-T110 VanDerWaalsContact N-O 3.13Å; I67-T110 HydrophobicContact CD1-CG2 3.91Å; I108-T110 HydrophobicContact CB-CG2 4.5Å; I108-T110 HydrophobicContact CG2-CG2 4.33Å; I108-T110 PolarHBondContact O-N 3.49Å; T110-K112 PolarHBondContact O-N 3.1Å; T110-K112 VanDerWaalsContact O-N 3.1Å; T110-Y113 CarbonylContact O-C 3.52Å; T110-Y113 PolarHBondContact O-N 3.04Å
111E93.4Very high94.3Very high164 Ų16450.1 Ų50.177%0.76625%0.253SS*.G310 helixtrans-55.2-26.4176.4-60.1175.1-170.300113.9R109 Y113R109-E111 PolarHBondContact O-N 2.98Å; E111-Y113 VanDerWaalsContact C-N 3.26Å; E111-Y113 PolarHBondContact O-N 3.27Å
112K93.1Very high94.3Very high108 Ų10847.6 Ų47.647%0.4724%0.242SC..G310 helixtrans-77.4-13.8179.3-68.8-168.5160.7-164.70113.7R109 T110 P114 E149R109-K112 HydrophobicContact CB-CD 4.14Å; R109-K112 HydrophobicContact CB-CG 4.15Å; R109-K112 WeakPolarHBondContact O-CB 3.34Å; R109-K112 PolarHBondContact O-N 2.89Å; T110-K112 PolarHBondContact O-N 3.1Å; T110-K112 VanDerWaalsContact O-N 3.1Å; K112-P114 VanDerWaalsContact C-CD 3.43Å; K112-P114 WeakPolarHBondContact O-CD 3.47Å; K112-E149 HydrophobicContact CD-CB 4.46Å; K112-E149 WeakPolarHBondContact CD-OE2 3.32Å; K112-E149 WeakPolarHBondContact CE-OE1 3.43Å; K112-E149 WeakPolarHBondContact CE-OE2 3.16Å; K112-E149 IonicContact NZ-OE1 3.86Å; K112-E149 PolarHBondContact NZ-OE1 2.88Å; K112-E149 IonicContact NZ-OE2 2.73Å; K112-E149 PolarHBondContact NZ-OE2 3.32Å
113Y93.4Very high94.3Very high42 Ų4246.5 Ų46.517%0.16524%0.237CC..SBendtrans-127.465.2-176.8-48.2-78000109.9P51 G64 A65 T110 E111 S116 I148 E149P51-Y113 HydrophobicContact CB-CD1 3.92Å; P51-Y113 HydrophobicContact CB-CG 4.26Å; P51-Y113 HydrophobicContact CG-CD1 3.63Å; P51-Y113 HydrophobicContact CG-CE1 3.84Å; P51-Y113 HydrophobicContact CG-CG 4.42Å; G64-Y113 CarbonylContact C-O 3.19Å; G64-Y113 VanDerWaalsContact O-O 3.13Å; A65-Y113 WeakPolarHBondContact CA-O 3.35Å; A65-Y113 PolarHBondContact N-O 3.46Å; T110-Y113 CarbonylContact O-C 3.52Å; T110-Y113 PolarHBondContact O-N 3.04Å; E111-Y113 VanDerWaalsContact C-N 3.26Å; E111-Y113 PolarHBondContact O-N 3.27Å; Y113-S116 VanDerWaalsContact O-CB 3.3Å; Y113-S116 WeakPolarHBondContact O-CB 3.21Å; Y113-S116 PolarHBondContact O-N 2.91Å; Y113-S116 PolarHBondContact O-OG 3.48Å; Y113-I148 HydrophobicContact CE2-CG2 4.21Å; Y113-E149 PolarHBondContact OH-N 2.89Å
114P92Very high94.3Very high69 Ų6946.2 Ų46.245%0.44824%0.235SC..THydrogen-bonded Turntrans-62.6147.1179.928.1-35.5000110.9P62 K112 S116P62-P114 WeakPolarHBondContact O-CB 3.37Å; K112-P114 VanDerWaalsContact C-CD 3.43Å; K112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-S116 PolarHBondContact O-N 3.37Å; P114-S116 PolarHBondContact O-OG 2.87Å
115M90.9Very high94.2Very high108 Ų10849.2 Ų49.253%0.53225%0.25SS..THydrogen-bonded Turntrans53.527.9178.3-63.1-72.2-162.300113.5P54 T61 P62 G64P54-M115 WeakPolarHBondContact CD-O 3.42Å; T61-M115 PolarHBondContact O-N 3.13Å; T61-M115 VanDerWaalsContact O-N 3.16Å; P62-M115 HydrophobicContact CB-CE 3.66Å; P62-M115 HydrophobicContact CB-SD 4.4Å; G64-M115 PolarHBondContact O-N 3.02Å; G64-M115 VanDerWaalsContact O-N 3.12Å
116S93.4Very high94.2Very high24 Ų2449 Ų4917%0.16824%0.243CC..EExtended strand (participates in β ladder)trans-116.7161.3-177.5-57.20000110.9H52 A65 T66 Y113 P114H52-S116 CarbonylContact O-C 3.52Å; H52-S116 WeakPolarHBondContact O-CA 3.44Å; A65-S116 CarbonylContact C-O 3.58Å; A65-S116 VanDerWaalsContact CA-O 3.26Å; A65-S116 WeakPolarHBondContact CA-O 3.44Å; T66-S116 PolarHBondContact N-O 2.9Å; Y113-S116 VanDerWaalsContact O-CB 3.3Å; Y113-S116 WeakPolarHBondContact O-CB 3.21Å; Y113-S116 PolarHBondContact O-N 2.91Å; Y113-S116 PolarHBondContact O-OG 3.48Å; P114-S116 PolarHBondContact O-N 3.37Å; P114-S116 PolarHBondContact O-OG 2.87Å
117Q94.3Very high94.3Very high17 Ų1745.2 Ų45.28%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-127137.7177.2-175.5174.6-12.500109.1H52 P54 T66 T68 D119H52-Q117 PolarHBondContact N-O 2.9Å; H52-Q117 PolarHBondContact O-N 2.91Å; P54-Q117 VanDerWaalsContact CA-OE1 3.29Å; P54-Q117 HydrophobicContact CB-CB 4.37Å; T66-Q117 CarbonylContact O-C 3.58Å; T66-Q117 VanDerWaalsContact O-CA 3.27Å; T66-Q117 WeakPolarHBondContact O-CA 3.37Å; T68-Q117 HydrophobicContact CG2-CG 4.3Å; Q117-D119 VanDerWaalsContact CG-OD1 3.32Å; Q117-D119 WeakPolarHBondContact CG-OD1 3.4Å; Q117-D119 PolarHBondContact NE2-OD1 3.05Å
118I96Very high94.3Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-118.6114.3174.2-62.2167.5000106.9V48 P51 A65 T66 I67 T68 I108 I120 L143 I148V48-I118 HydrophobicContact CG1-CG2 4.15Å; P51-I118 HydrophobicContact CB-CG1 4.46Å; A65-I118 HydrophobicContact CB-CD1 4.19Å; T66-I118 PolarHBondContact O-N 3.12Å; I67-I118 WeakPolarHBondContact CA-O 3.26Å; T68-I118 PolarHBondContact N-O 2.87Å; I108-I118 HydrophobicContact CD1-CD1 4.45Å; I108-I118 HydrophobicContact CG2-CD1 4.05Å; I118-I120 HydrophobicContact CG2-CG1 4.45Å; I118-L143 HydrophobicContact CG2-CD2 4.12Å; I118-I148 HydrophobicContact CD1-CD1 4.18Å; I118-I148 HydrophobicContact CD1-CG2 4.03Å; I118-I148 HydrophobicContact CG1-CD1 4.36Å; I118-I148 HydrophobicContact CG2-CD1 3.69Å
119D96.1Very high94.1Very high4 Ų446.1 Ų46.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-100.7120.7-179.2-70.6-15.2000110V48 V49 H52 R55 T68 Q117 F121V48-D119 WeakPolarHBondContact CA-O 3.33Å; V49-D119 HydrophobicContact CB-CB 4.41Å; V49-D119 PolarHBondContact N-O 3.13Å; V49-D119 PolarHBondContact O-N 3.31Å; H52-D119 IonicContact CE1-OD2 3.42Å; H52-D119 IonicContact NE2-OD2 2.95Å; H52-D119 PolarHBondContact NE2-OD2 3.5Å; H52-D119 VanDerWaalsContact NE2-OD2 3.16Å; R55-D119 IonicContact NH2-OD2 3.84Å; T68-D119 PolarHBondContact OG1-OD1 3.15Å; Q117-D119 VanDerWaalsContact CG-OD1 3.32Å; Q117-D119 WeakPolarHBondContact CG-OD1 3.4Å; Q117-D119 PolarHBondContact NE2-OD1 3.05Å; D119-F121 HydrophobicContact CB-CD2 4.44Å; D119-F121 HydrophobicContact CB-CE2 3.56Å; D119-F121 HydrophobicContact CB-CZ 3.83Å
120I97.5Very high94.1Very high1 Ų141.4 Ų41.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-106.3119178.2-58.9165.4000108.2V48 I67 T68 C69 Q70 I118 L122 T139 L143V48-I120 HydrophobicContact CG2-CG1 4.4Å; I67-I120 HydrophobicContact CG2-CD1 3.78Å; T68-I120 PolarHBondContact O-N 2.87Å; C69-I120 CarbonylContact C-O 3.59Å; C69-I120 VanDerWaalsContact CA-O 3.28Å; C69-I120 WeakPolarHBondContact CA-O 3.31Å; C69-I120 HydrophobicContact CB-CB 4.35Å; Q70-I120 PolarHBondContact N-O 3.07Å; I118-I120 HydrophobicContact CG2-CG1 4.45Å; I120-L122 HydrophobicContact CG2-CD1 4.36Å; I120-L122 HydrophobicContact CG2-CG 4.17Å; I120-T139 HydrophobicContact CD1-CG2 3.83Å; I120-T139 HydrophobicContact CG1-CG2 4.35Å; I120-T139 HydrophobicContact CG2-CG2 3.69Å; I120-L143 HydrophobicContact CD1-CD2 4.32Å; I120-L143 HydrophobicContact CG1-CD2 4.34Å
121F97.1Very high94.1Very high59 Ų5940.7 Ų40.726%0.25920%0.2SC..EExtended strand (participates in β ladder)trans-110.8122175.4-57.8-84.4000109.6A46 S47 V49 Q70 D119A46-F121 CarbonylContact C-O 3.55Å; A46-F121 WeakPolarHBondContact CA-O 3.38Å; S47-F121 PolarHBondContact N-O 3.26Å; S47-F121 PolarHBondContact O-N 3.07Å; V49-F121 HydrophobicContact CB-CE2 4.35Å; V49-F121 HydrophobicContact CG2-CD2 4.28Å; V49-F121 HydrophobicContact CG2-CE2 3.95Å; Q70-F121 HydrophobicContact CB-CD1 3.97Å; Q70-F121 HydrophobicContact CB-CE1 4.41Å; Q70-F121 HydrophobicContact CG-CD1 4.3Å; Q70-F121 HydrophobicContact CG-CE1 4.24Å; D119-F121 HydrophobicContact CB-CD2 4.44Å; D119-F121 HydrophobicContact CB-CE2 3.56Å; D119-F121 HydrophobicContact CB-CZ 3.83Å
122L97Very high94.2Very high2 Ų233.2 Ų33.21%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-117.1125.5178.2-70.3164.1000109.7V44 I45 A46 Q70 F71 T72 I100 I120 A135 T139V44-L122 HydrophobicContact CG1-CD2 4.06Å; I45-L122 WeakPolarHBondContact O-CA 3.37Å; A46-L122 HydrophobicContact CB-CD2 3.6Å; Q70-L122 PolarHBondContact O-N 3.22Å; F71-L122 HydrophobicContact CD2-CB 3.9Å; F71-L122 HydrophobicContact CD2-CD1 4.08Å; T72-L122 PolarHBondContact N-O 3.23Å; I100-L122 HydrophobicContact CD1-CD1 3.38Å; I100-L122 HydrophobicContact CG2-CD1 4.32Å; I120-L122 HydrophobicContact CG2-CD1 4.36Å; I120-L122 HydrophobicContact CG2-CG 4.17Å; L122-A135 HydrophobicContact CD1-CB 4.29Å; L122-T139 WeakPolarHBondContact CD2-OG1 3.46Å
123E95.2Very high94.3Very high88 Ų8828.1 Ų28.141%0.41114%0.142SC..EExtended strand (participates in β ladder)trans-126.3122.9175.4-169.6177.7178.600110.9V44 I45 T72 P74 I125V44-E123 WeakPolarHBondContact CA-O 3.38Å; I45-E123 HydrophobicContact CB-CB 4.46Å; I45-E123 PolarHBondContact N-O 3.47Å; I45-E123 PolarHBondContact O-N 2.98Å; T72-E123 WeakPolarHBondContact O-CA 3.4Å; P74-E123 HydrophobicContact CG-CG 4.44Å; E123-I125 PolarHBondContact O-N 3.39Å
124V94.6Very high94.5Very high0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-88.7105.8177.9-176.50000109.8V44 F71 T72 K73 P74 A77 E131V44-V124 HydrophobicContact CG2-CG2 4.22Å; F71-V124 HydrophobicContact CE1-CG2 4.08Å; F71-V124 HydrophobicContact CE2-CG2 3.92Å; F71-V124 HydrophobicContact CZ-CG2 3.4Å; T72-V124 PolarHBondContact O-N 3.25Å; K73-V124 HydrophobicContact CG-CB 4.43Å; P74-V124 WeakPolarHBondContact CD-O 3.45Å; P74-V124 VanDerWaalsContact CG-O 3.25Å; P74-V124 WeakPolarHBondContact CG-O 3.3Å; A77-V124 HydrophobicContact CB-CG1 4.35Å; A77-V124 WeakPolarHBondContact CB-O 3.43Å; V124-E131 HydrophobicContact CG1-CG 4.36Å; V124-E131 HydrophobicContact CG2-CG 4.01Å
125I93.9Very high94.7Very high62 Ų6222.8 Ų22.832%0.31811%0.113SC..EExtended strand (participates in β ladder)trans-72.8-43.5177.5-45.4176.8000110.5K43 I45 A77 E123K43-I125 HydrophobicContact CB-CB 4.15Å; K43-I125 HydrophobicContact CB-CD1 4.46Å; K43-I125 PolarHBondContact O-N 2.9Å; I45-I125 HydrophobicContact CD1-CD1 3.59Å; I45-I125 HydrophobicContact CD1-CG1 3.8Å; I45-I125 HydrophobicContact CG1-CD1 3.53Å; I45-I125 HydrophobicContact CG1-CG1 3.71Å; A77-I125 WeakPolarHBondContact CA-O 3.31Å; E123-I125 PolarHBondContact O-N 3.39Å
126Q94.3Very high95Very high52 Ų5217.7 Ų17.724%0.2439%0.088CC..EExtended strand (participates in β ladder)trans-143.2131.2-175.4-169177.6-15.800109.1N41 T42 K43 A77N41-Q126 WeakPolarHBondContact O-CB 3.44Å; N41-Q126 WeakPolarHBondContact O-CG 3.43Å; T42-Q126 CarbonylContact C-O 3.59Å; T42-Q126 VanDerWaalsContact CA-O 3.31Å; T42-Q126 WeakPolarHBondContact CA-O 3.42Å; K43-Q126 HydrophobicContact CB-CB 4.06Å; K43-Q126 HydrophobicContact CD-CB 4.2Å; K43-Q126 HydrophobicContact CG-CB 4.11Å; K43-Q126 PolarHBondContact N-O 2.84Å; K43-Q126 PolarHBondContact O-N 2.85Å; A77-Q126 CarbonylContact O-C 3.54Å
127S92.4Very high95.2Very high8 Ų816.5 Ų16.56%0.0568%0.08CC..BIsolated β-bridgetrans-116114.8-177.1177.60000109.4K73 A77 T79 E131K73-S127 PolarHBondContact NZ-OG 2.96Å; K73-S127 VanDerWaalsContact NZ-OG 3.11Å; A77-S127 PolarHBondContact O-N 2.69Å; T79-S127 PolarHBondContact OG1-O 2.74Å; S127-E131 WeakPolarHBondContact CB-OE2 3.39Å; S127-E131 PolarHBondContact OG-OE2 2.82Å
128D93Very high95.3Very high24 Ų2415.7 Ų15.713%0.1288%0.076CC..  trans-13037.1175.4-172.236.1000111.1R20 N41 T42 C171 R172R20-D128 PolarHBondContact NH1-O 2.87Å; R20-D128 IonicContact NH1-OD2 2.7Å; R20-D128 PolarHBondContact NH1-OD2 2.88Å; N41-D128 HydrophobicContact CB-CB 3.59Å; N41-D128 WeakPolarHBondContact CB-OD2 3.38Å; N41-D128 PolarHBondContact ND2-OD2 3.23Å; N41-D128 VanDerWaalsContact ND2-OD2 3.11Å; T42-D128 VanDerWaalsContact OG1-C 3.22Å; T42-D128 WeakPolarHBondContact OG1-CA 3.48Å; T42-D128 PolarHBondContact OG1-N 2.88Å; D128-C171 CarbonylContact O-C 3.54Å; D128-C171 VanDerWaalsContact O-CA 3.27Å; D128-C171 WeakPolarHBondContact O-CA 3.4Å; D128-R172 PolarHBondContact O-N 3.3Å; D128-R172 WeakPolarHBondContact OD1-CB 3.47Å
129G91.7Very high95.4Very high1 Ų115.7 Ų15.71%0.018%0.076CC..SBendtrans84.3163.5179.200000114.7R20 T42 E131 L170 E175R20-G129 PolarHBondContact NH2-O 3.02Å; T42-G129 PolarHBondContact OG1-N 2.82Å; T42-G129 PolarHBondContact OG1-O 2.83Å; G129-E131 PolarHBondContact O-N 3.23Å; G129-L170 CarbonylContact C-O 3.5Å; G129-E175 VanDerWaalsContact CA-CD 3.46Å; G129-E175 WeakPolarHBondContact CA-OE1 3.33Å; G129-E175 WeakPolarHBondContact CA-OE2 3.44Å
130S93.3Very high95.4Very high2 Ų215.7 Ų15.71%0.0148%0.076CC..  trans52.535.1-169.9-52.90000112.9F132 A133 C134 T158 D169 L170 E175S130-F132 PolarHBondContact O-N 3.04Å; S130-A133 PolarHBondContact O-N 3.05Å; S130-C134 PolarHBondContact O-N 3.12Å; S130-T158 WeakPolarHBondContact OG-CB 3.34Å; S130-D169 PolarHBondContact OG-OD1 2.73Å; S130-L170 PolarHBondContact N-O 2.7Å; S130-L170 PolarHBondContact OG-N 2.88Å; S130-L170 VanDerWaalsContact OG-N 3.17Å; S130-L170 PolarHBondContact OG-O 3.49Å; S130-E175 PolarHBondContact N-OE1 2.87Å
131E94Very high95.4Very high19 Ų1915.7 Ų15.79%0.0898%0.076CC..Hα-helixtrans-60.6-44.8-173.1178.6172.815600112.7F71 K73 V124 S127 G129 C134 A135F71-E131 HydrophobicContact CZ-CG 4.02Å; F71-E131 VanDerWaalsContact CZ-OE1 3.29Å; F71-E131 WeakPolarHBondContact CZ-OE1 3.43Å; K73-E131 WeakPolarHBondContact CD-OE1 3.45Å; K73-E131 IonicContact NZ-OE1 3.86Å; K73-E131 PolarHBondContact NZ-OE1 3.12Å; K73-E131 IonicContact NZ-OE2 3.82Å; K73-E131 PolarHBondContact NZ-OE2 3.3Å; V124-E131 HydrophobicContact CG1-CG 4.36Å; V124-E131 HydrophobicContact CG2-CG 4.01Å; S127-E131 WeakPolarHBondContact CB-OE2 3.39Å; S127-E131 PolarHBondContact OG-OE2 2.82Å; G129-E131 PolarHBondContact O-N 3.23Å; E131-C134 PolarHBondContact O-N 2.93Å; E131-A135 WeakPolarHBondContact O-CB 3.28Å; E131-A135 PolarHBondContact O-N 2.81Å
132F95.1Very high95.3Very high8 Ų812.9 Ų12.94%0.0356%0.064CC..Hα-helixtrans-62-45.1177.8178.8-107.5000111.8F96 A99 I100 I103 S130 C134 A135 V136 T183 V185F96-F132 HydrophobicContact CB-CD2 4.12Å; F96-F132 HydrophobicContact CD1-CB 4.29Å; F96-F132 AromaticContact CD1-CD2 3.51Å; F96-F132 HydrophobicContact CD1-CD2 3.51Å; F96-F132 HydrophobicContact CD1-CE2 4.18Å; F96-F132 HydrophobicContact CD1-CG 4.16Å; F96-F132 HydrophobicContact CD2-CD2 4.45Å; F96-F132 HydrophobicContact CE1-CB 3.92Å; F96-F132 AromaticContact CE1-CD2 3.97Å; F96-F132 HydrophobicContact CE1-CD2 3.97Å; F96-F132 HydrophobicContact CE1-CG 4.15Å; F96-F132 HydrophobicContact CE2-CB 4.28Å; F96-F132 AromaticContact CG-CD2 3.79Å; F96-F132 HydrophobicContact CG-CD2 3.79Å; F96-F132 HydrophobicContact CZ-CB 3.92Å; A99-F132 HydrophobicContact CB-CE2 3.89Å; A99-F132 HydrophobicContact CB-CZ 3.95Å; I100-F132 HydrophobicContact CD1-CE2 4.43Å; I100-F132 HydrophobicContact CG1-CE2 3.97Å; I103-F132 HydrophobicContact CD1-CZ 3.96Å; S130-F132 PolarHBondContact O-N 3.04Å; F132-C134 PolarHBondContact O-N 3.25Å; F132-A135 PolarHBondContact O-N 2.79Å; F132-V136 HydrophobicContact CD1-CG2 4.48Å; F132-V136 HydrophobicContact CE1-CG2 4.07Å; F132-V136 HydrophobicContact CE2-CG2 4.14Å; F132-V136 HydrophobicContact CZ-CG2 3.89Å; F132-V136 WeakPolarHBondContact O-CG2 3.31Å; F132-V136 PolarHBondContact O-N 2.7Å; F132-T183 HydrophobicContact CD1-CG2 3.8Å; F132-T183 HydrophobicContact CE1-CG2 4.3Å; F132-V185 HydrophobicContact CE1-CG2 4.27Å
133A96Very high95.3Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-63-44.6177.900000111.7S130 A135 V136 N137 A156 T183S130-A133 PolarHBondContact O-N 3.05Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 2.79Å; A133-V136 PolarHBondContact O-N 2.86Å; A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 3.45Å; A133-N137 PolarHBondContact O-ND2 2.9Å; A133-A156 HydrophobicContact CB-CB 3.94Å; A133-T183 HydrophobicContact CB-CG2 4Å
134C96.3Very high95.3Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-60.5-41.8175.9-170.10000111.3L37 T42 V44 S130 E131 F132 N137 A138L37-C134 WeakPolarHBondContact CD2-O 3.5Å; T42-C134 HydrophobicContact CG2-CB 3.92Å; V44-C134 HydrophobicContact CG2-CB 4.25Å; S130-C134 PolarHBondContact O-N 3.12Å; E131-C134 PolarHBondContact O-N 2.93Å; F132-C134 PolarHBondContact O-N 3.25Å; C134-N137 PolarHBondContact O-N 3.38Å; C134-A138 WeakPolarHBondContact O-CB 3.43Å; C134-A138 PolarHBondContact O-N 3.04Å
135A97.1Very high95.2Very high0 Ų012.4 Ų12.40%07%0.066CC..Hα-helixtrans-63.3-47.5177.700000112.8F71 I100 L122 E131 F132 A133 N137 A138 T139F71-A135 HydrophobicContact CD2-CB 4.44Å; F71-A135 HydrophobicContact CE2-CB 3.78Å; I100-A135 HydrophobicContact CD1-CB 4.15Å; L122-A135 HydrophobicContact CD1-CB 4.29Å; E131-A135 WeakPolarHBondContact O-CB 3.28Å; E131-A135 PolarHBondContact O-N 2.81Å; F132-A135 PolarHBondContact O-N 2.79Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 2.79Å; A135-N137 VanDerWaalsContact C-N 3.32Å; A135-N137 PolarHBondContact O-N 3.47Å; A135-A138 PolarHBondContact O-N 3.02Å; A135-T139 PolarHBondContact O-N 2.98Å; A135-T139 PolarHBondContact O-OG1 2.65Å
136V97.1Very high95.2Very high0 Ų010.5 Ų10.50%06%0.059CC..Hα-helixtrans-58.2-46.6175.5176.20000110.7I100 I103 F104 F132 A133 A138 T139 T140 V154 A156 V185I100-V136 HydrophobicContact CD1-CG2 4.46Å; I100-V136 HydrophobicContact CG1-CG2 4.03Å; I103-V136 HydrophobicContact CD1-CG2 4.21Å; F104-V136 HydrophobicContact CE2-CG1 4.22Å; F104-V136 HydrophobicContact CZ-CG1 4.22Å; F132-V136 HydrophobicContact CD1-CG2 4.48Å; F132-V136 HydrophobicContact CE1-CG2 4.07Å; F132-V136 HydrophobicContact CE2-CG2 4.14Å; F132-V136 HydrophobicContact CZ-CG2 3.89Å; F132-V136 WeakPolarHBondContact O-CG2 3.31Å; F132-V136 PolarHBondContact O-N 2.7Å; A133-V136 PolarHBondContact O-N 2.86Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 3.4Å; V136-T139 WeakPolarHBondContact O-CB 3.32Å; V136-T139 PolarHBondContact O-N 3.01Å; V136-T140 PolarHBondContact O-N 2.73Å; V136-T140 PolarHBondContact O-OG1 2.99Å; V136-T140 VanDerWaalsContact O-OG1 3.07Å; V136-V154 HydrophobicContact CG1-CG1 3.9Å; V136-A156 HydrophobicContact CB-CB 3.77Å; V136-A156 HydrophobicContact CG1-CB 3.9Å; V136-A156 HydrophobicContact CG2-CB 4.33Å; V136-V185 HydrophobicContact CG1-CG1 4.17Å
137N96.8Very high95.2Very high0 Ų010.8 Ų10.80%08%0.076CC..Hα-helixtrans-61.8-42179.1-69.6-29.9000112.1L37 A133 C134 A135 T139 T140 L141 S155 A156 F243L37-N137 HydrophobicContact CD2-CB 3.71Å; A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 3.45Å; A133-N137 PolarHBondContact O-ND2 2.9Å; C134-N137 PolarHBondContact O-N 3.38Å; A135-N137 VanDerWaalsContact C-N 3.32Å; A135-N137 PolarHBondContact O-N 3.47Å; N137-T139 VanDerWaalsContact C-N 3.34Å; N137-T140 PolarHBondContact O-N 3.2Å; N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.26Å; N137-L141 VanDerWaalsContact O-N 3.13Å; N137-S155 WeakPolarHBondContact OD1-CA 3.42Å; N137-A156 PolarHBondContact ND2-O 3.45Å; N137-A156 PolarHBondContact OD1-N 2.78Å; N137-A156 PolarHBondContact OD1-O 2.9Å; N137-F243 HydrophobicContact CB-CE1 4.35Å; N137-F243 HydrophobicContact CB-CE2 3.65Å; N137-F243 HydrophobicContact CB-CZ 3.48Å; N137-F243 VanDerWaalsContact CB-CZ 3.48Å; N137-F243 VanDerWaalsContact CG-CZ 3.44Å; N137-F243 WeakPolarHBondContact OD1-CE2 3.4Å
138A97.4Very high95.3Very high0 Ų010.8 Ų10.80%08%0.076CC..Hα-helixtrans-63-42.1176.400000111.1L37 V44 A46 C134 A135 V136 L141 A142L37-A138 HydrophobicContact CB-CB 3.86Å; L37-A138 HydrophobicContact CD2-CB 3.93Å; V44-A138 HydrophobicContact CB-CB 4.41Å; V44-A138 HydrophobicContact CG1-CB 4.21Å; A46-A138 HydrophobicContact CB-CB 3.72Å; A46-A138 WeakPolarHBondContact CB-O 3.5Å; C134-A138 WeakPolarHBondContact O-CB 3.43Å; C134-A138 PolarHBondContact O-N 3.04Å; A135-A138 PolarHBondContact O-N 3.02Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 3.4Å; A138-L141 PolarHBondContact O-N 3.41Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.88Å
139T97.3Very high95.4Very high0 Ų012.7 Ų12.70%08%0.084CC..Hα-helixtrans-60.4-45.4174.5-55.50000111.8I100 F104 I120 L122 A135 V136 N137 L141 A142 L143I100-T139 HydrophobicContact CG2-CG2 4.35Å; F104-T139 HydrophobicContact CD1-CG2 4.49Å; F104-T139 HydrophobicContact CD2-CG2 3.64Å; F104-T139 HydrophobicContact CE1-CG2 4.16Å; F104-T139 VanDerWaalsContact CE2-CB 3.48Å; F104-T139 HydrophobicContact CE2-CG2 3.26Å; F104-T139 HydrophobicContact CG-CG2 4.25Å; F104-T139 HydrophobicContact CZ-CG2 3.55Å; I120-T139 HydrophobicContact CD1-CG2 3.83Å; I120-T139 HydrophobicContact CG1-CG2 4.35Å; I120-T139 HydrophobicContact CG2-CG2 3.69Å; L122-T139 WeakPolarHBondContact CD2-OG1 3.46Å; A135-T139 PolarHBondContact O-N 2.98Å; A135-T139 PolarHBondContact O-OG1 2.65Å; V136-T139 WeakPolarHBondContact O-CB 3.32Å; V136-T139 PolarHBondContact O-N 3.01Å; N137-T139 VanDerWaalsContact C-N 3.34Å; T139-L141 VanDerWaalsContact C-N 3.29Å; T139-L141 PolarHBondContact O-N 2.91Å; T139-A142 PolarHBondContact O-N 2.97Å; T139-L143 HydrophobicContact CG2-CD1 3.79Å; T139-L143 HydrophobicContact CG2-CG 4.12Å; T139-L143 WeakPolarHBondContact O-CB 3.14Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.32Å
140T96.4Very high95.5Very high3 Ų314 Ų142%0.0189%0.09CC..Hα-helixtrans-57.7-44.7177.8-51.70000111.4F104 V136 N137 T144 M150 L153 V154F104-T140 WeakPolarHBondContact CZ-OG1 3.25Å; V136-T140 PolarHBondContact O-N 2.73Å; V136-T140 PolarHBondContact O-OG1 2.99Å; V136-T140 VanDerWaalsContact O-OG1 3.07Å; N137-T140 PolarHBondContact O-N 3.2Å; T140-T144 WeakPolarHBondContact O-CB 3.3Å; T140-T144 PolarHBondContact O-N 3.09Å; T140-T144 VanDerWaalsContact O-N 3.08Å; T140-T144 PolarHBondContact O-OG1 3.01Å; T140-M150 HydrophobicContact CG2-CE 4.31Å; T140-L153 HydrophobicContact CG2-CB 4.32Å; T140-L153 HydrophobicContact CG2-CD2 3.9Å; T140-V154 HydrophobicContact CG2-CB 4.26Å; T140-V154 WeakPolarHBondContact CG2-O 3.22Å; T140-V154 PolarHBondContact OG1-O 3.43Å
141L96.4Very high95.3Very high1 Ų117.7 Ų17.71%0.00511%0.11CC..Hα-helixtrans-65.9-42.3178.5-68.8168.1000111.5F26 V35 L37 N137 A138 T139 T144 D145 F243 L247F26-L141 HydrophobicContact CZ-CD2 4.49Å; V35-L141 HydrophobicContact CB-CB 4.38Å; V35-L141 HydrophobicContact CG1-CB 3.95Å; V35-L141 HydrophobicContact CG1-CD1 4.22Å; V35-L141 HydrophobicContact CG2-CB 3.95Å; L37-L141 HydrophobicContact CD1-CD1 3.92Å; L37-L141 HydrophobicContact CD2-CD1 4.38Å; N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.26Å; N137-L141 VanDerWaalsContact O-N 3.13Å; A138-L141 PolarHBondContact O-N 3.41Å; T139-L141 VanDerWaalsContact C-N 3.29Å; T139-L141 PolarHBondContact O-N 2.91Å; L141-T144 PolarHBondContact O-N 3.32Å; L141-D145 PolarHBondContact O-N 2.92Å; L141-F243 HydrophobicContact CD1-CD1 3.87Å; L141-F243 HydrophobicContact CD1-CE1 4.24Å; L141-F243 HydrophobicContact CD1-CG 4.4Å; L141-F243 HydrophobicContact CD2-CB 3.94Å; L141-F243 HydrophobicContact CD2-CD1 4.42Å; L141-F243 HydrophobicContact CD2-CG 4.31Å; L141-F243 HydrophobicContact CG-CD1 4.48Å; L141-L247 HydrophobicContact CD2-CD1 3.96Å; L141-L247 HydrophobicContact CD2-CD2 3.92Å; L141-L247 HydrophobicContact CD2-CG 3.73Å
142A96.4Very high95Very high0 Ų017.4 Ų17.40%011%0.11CC..Hα-helixtrans-67.8-41.3-179.900000112.6V35 A46 V48 A138 T139 T144 D145 A146V35-A142 HydrophobicContact CB-CB 4.26Å; V35-A142 HydrophobicContact CG2-CB 4.06Å; A46-A142 HydrophobicContact CB-CB 3.7Å; V48-A142 HydrophobicContact CG2-CB 3.69Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.88Å; T139-A142 PolarHBondContact O-N 2.97Å; A142-T144 VanDerWaalsContact C-N 3.28Å; A142-T144 PolarHBondContact O-N 3.36Å; A142-D145 PolarHBondContact O-N 3.45Å; A142-A146 WeakPolarHBondContact O-CB 3.47Å; A142-A146 PolarHBondContact O-N 2.86Å
143L96.6Very high94.8Very high0 Ų019.1 Ų19.10%012%0.119CC..Hα-helixtrans-62.4-38.1173.6-70.6169.8000111.4V48 F104 I108 I118 I120 T139 G147 I148 M150V48-L143 HydrophobicContact CG1-CD2 3.94Å; V48-L143 HydrophobicContact CG2-CD2 3.87Å; V48-L143 HydrophobicContact CG2-CG 4.12Å; F104-L143 HydrophobicContact CB-CD1 4.45Å; F104-L143 HydrophobicContact CD1-CD1 3.21Å; F104-L143 HydrophobicContact CE1-CD1 3.44Å; F104-L143 VanDerWaalsContact CE1-CD1 3.44Å; F104-L143 HydrophobicContact CG-CD1 3.82Å; F104-L143 HydrophobicContact CZ-CD1 4.2Å; I108-L143 HydrophobicContact CD1-CD1 3.87Å; I108-L143 HydrophobicContact CD1-CD2 3.94Å; I108-L143 HydrophobicContact CG1-CD1 4.31Å; I118-L143 HydrophobicContact CG2-CD2 4.12Å; I120-L143 HydrophobicContact CD1-CD2 4.32Å; I120-L143 HydrophobicContact CG1-CD2 4.34Å; T139-L143 HydrophobicContact CG2-CD1 3.79Å; T139-L143 HydrophobicContact CG2-CG 4.12Å; T139-L143 WeakPolarHBondContact O-CB 3.14Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.32Å; L143-G147 PolarHBondContact O-N 3.1Å; L143-I148 HydrophobicContact CD2-CD1 3.55Å; L143-I148 PolarHBondContact O-N 3.22Å; L143-I148 VanDerWaalsContact O-N 3.08Å; L143-M150 HydrophobicContact CB-CE 3.96Å; L143-M150 HydrophobicContact CB-SD 3.82Å; L143-M150 HydrophobicContact CD1-SD 3.78Å; L143-M150 HydrophobicContact CG-SD 4.47Å
144T94.9Very high94.7Very high45 Ų4519.2 Ų19.228%0.27612%0.119SC..Hα-helixtrans-69.2-40.9177-50.60000111.7T140 L141 A142 A146 G147 M150 L153 L247T140-T144 WeakPolarHBondContact O-CB 3.3Å; T140-T144 PolarHBondContact O-N 3.09Å; T140-T144 VanDerWaalsContact O-N 3.08Å; T140-T144 PolarHBondContact O-OG1 3.01Å; L141-T144 PolarHBondContact O-N 3.32Å; A142-T144 VanDerWaalsContact C-N 3.28Å; A142-T144 PolarHBondContact O-N 3.36Å; T144-A146 VanDerWaalsContact C-N 3.35Å; T144-G147 PolarHBondContact O-N 2.69Å; T144-G147 VanDerWaalsContact O-N 3.11Å; T144-M150 WeakPolarHBondContact OG1-CE 3.39Å; T144-L153 HydrophobicContact CG2-CD2 4.26Å; T144-L153 VanDerWaalsContact OG1-CD2 3.27Å; T144-L153 WeakPolarHBondContact OG1-CD2 3.31Å; T144-L247 HydrophobicContact CG2-CD1 3.98Å; T144-L247 HydrophobicContact CG2-CD2 3.78Å
145D93.8Very high94.6Very high36 Ų3619.2 Ų19.219%0.19312%0.119CC..Hα-helixtrans-66.9-36.2176.4-167.462.2000111.6F26 L141 A142 G147 R250F26-D145 HydrophobicContact CD1-CB 3.96Å; F26-D145 HydrophobicContact CE1-CB 4.28Å; L141-D145 PolarHBondContact O-N 2.92Å; A142-D145 PolarHBondContact O-N 3.45Å; D145-G147 PolarHBondContact O-N 3.49Å; D145-R250 IonicContact OD1-CZ 3.49Å; D145-R250 IonicContact OD1-NE 2.87Å; D145-R250 PolarHBondContact OD1-NE 3.14Å; D145-R250 IonicContact OD1-NH2 3.24Å; D145-R250 PolarHBondContact OD1-NH2 3.04Å; D145-R250 IonicContact OD2-NH2 3.28Å; D145-R250 PolarHBondContact OD2-NH2 3.33Å
146A94Very high94.5Very high22 Ų2219.2 Ų19.218%0.18212%0.119CC..THydrogen-bonded Turntrans-66.7-12.9171.500000113.6D32 V48 A142 T144 I148D32-A146 HydrophobicContact CB-CB 3.9Å; V48-A146 HydrophobicContact CB-CB 4.21Å; V48-A146 HydrophobicContact CG1-CB 3.91Å; A142-A146 WeakPolarHBondContact O-CB 3.47Å; A142-A146 PolarHBondContact O-N 2.86Å; T144-A146 VanDerWaalsContact C-N 3.35Å; A146-I148 VanDerWaalsContact C-N 3.34Å; A146-I148 HydrophobicContact CB-CD1 4.12Å; A146-I148 HydrophobicContact CB-CG1 4.2Å
147G93.3Very high94.5Very high58 Ų5819.2 Ų19.260%0.59812%0.12SC*.THydrogen-bonded Turntrans73.124-178.600000114L143 T144 D145L143-G147 PolarHBondContact O-N 3.1Å; T144-G147 PolarHBondContact O-N 2.69Å; T144-G147 VanDerWaalsContact O-N 3.11Å; D145-G147 PolarHBondContact O-N 3.49Å
148I95.5Very high94.4Very high8 Ų819.4 Ų19.44%0.04112%0.12CC..  trans-75.1132.8174.9-66.6166.2000109.2V48 I108 Y113 I118 L143 A146 M150V48-I148 HydrophobicContact CG1-CD1 3.48Å; V48-I148 VanDerWaalsContact CG1-CD1 3.48Å; I108-I148 HydrophobicContact CD1-CG2 4.39Å; I108-I148 HydrophobicContact CG1-CG2 4.3Å; I108-I148 HydrophobicContact CG2-CG2 3.77Å; Y113-I148 HydrophobicContact CE2-CG2 4.21Å; I118-I148 HydrophobicContact CD1-CD1 4.18Å; I118-I148 HydrophobicContact CD1-CG2 4.03Å; I118-I148 HydrophobicContact CG1-CD1 4.36Å; I118-I148 HydrophobicContact CG2-CD1 3.69Å; L143-I148 HydrophobicContact CD2-CD1 3.55Å; L143-I148 PolarHBondContact O-N 3.22Å; L143-I148 VanDerWaalsContact O-N 3.08Å; A146-I148 VanDerWaalsContact C-N 3.34Å; A146-I148 HydrophobicContact CB-CD1 4.12Å; A146-I148 HydrophobicContact CB-CG1 4.2Å; I148-M150 PolarHBondContact O-N 3.09Å
149E94.3Very high94.3Very high64 Ų6419.4 Ų19.430%0.29912%0.121SC..  trans-75.6120.2-176.9-158.3177.3148.100111.7R109 K112 Y113R109-E149 WeakPolarHBondContact CD-OE1 3.3Å; R109-E149 IonicContact CZ-OE1 3.93Å; R109-E149 PolarHBondContact N-O 3.31Å; R109-E149 IonicContact NE-OE1 3.49Å; R109-E149 IonicContact NH1-OE1 2.7Å; R109-E149 PolarHBondContact NH1-OE1 3.47Å; K112-E149 HydrophobicContact CD-CB 4.46Å; K112-E149 WeakPolarHBondContact CD-OE2 3.32Å; K112-E149 WeakPolarHBondContact CE-OE1 3.43Å; K112-E149 WeakPolarHBondContact CE-OE2 3.16Å; K112-E149 IonicContact NZ-OE1 3.86Å; K112-E149 PolarHBondContact NZ-OE1 2.88Å; K112-E149 IonicContact NZ-OE2 2.73Å; K112-E149 PolarHBondContact NZ-OE2 3.32Å; Y113-E149 PolarHBondContact OH-N 2.89Å
150M92.8Very high94.1Very high28 Ų2819.4 Ų19.414%0.13812%0.121CC..BIsolated β-bridgetrans-123149.7178.1-65.1-173.8-66.700110F104 V107 I108 T140 L143 T144 I148 C152 L153F104-M150 HydrophobicContact CD1-SD 4.41Å; F104-M150 HydrophobicContact CE1-SD 4.36Å; V107-M150 HydrophobicContact CG1-CB 4.01Å; V107-M150 HydrophobicContact CG1-CG 4.23Å; V107-M150 HydrophobicContact CG1-SD 4.16Å; V107-M150 WeakPolarHBondContact O-CA 3.41Å; I108-M150 HydrophobicContact CG1-CG 3.98Å; I108-M150 HydrophobicContact CG1-SD 4.46Å; T140-M150 HydrophobicContact CG2-CE 4.31Å; L143-M150 HydrophobicContact CB-CE 3.96Å; L143-M150 HydrophobicContact CB-SD 3.82Å; L143-M150 HydrophobicContact CD1-SD 3.78Å; L143-M150 HydrophobicContact CG-SD 4.47Å; T144-M150 WeakPolarHBondContact OG1-CE 3.39Å; I148-M150 PolarHBondContact O-N 3.09Å; M150-C152 VanDerWaalsContact C-N 3.28Å; M150-C152 PolarHBondContact O-N 3.36Å; M150-L153 HydrophobicContact CE-CD2 4.42Å
151D88.9Confident93.9Very high80 Ų8020.3 Ų20.343%0.42813%0.125SC..SBendtrans-63.7-36.5175.7-75.7-38.5000112.4V107 R109V107-D151 PolarHBondContact O-N 2.86Å; R109-D151 IonicContact CZ-OD1 2.63Å; R109-D151 VanDerWaalsContact CZ-OD1 3.23Å; R109-D151 IonicContact NE-OD1 2.73Å; R109-D151 PolarHBondContact NE-OD1 2.94Å; R109-D151 IonicContact NH2-OD1 3.63Å; R109-D151 PolarHBondContact NH2-OD1 2.91Å
152C89.1Confident93.6Very high13 Ų1324.1 Ų24.19%0.08814%0.14CC..SBendtrans-164.1164.4178.448.10000112.8M150 V154 L187 P188M150-C152 VanDerWaalsContact C-N 3.28Å; M150-C152 PolarHBondContact O-N 3.36Å; C152-V154 PolarHBondContact O-N 3.41Å; C152-L187 VanDerWaalsContact SG-CD1 3.58Å; C152-L187 WeakPolarHBondContact SG-CD2 3.36Å; C152-P188 HydrophobicContact CB-CG 3.75Å
153L91.2Very high93.1Very high44 Ų4427 Ų2723%0.2317%0.17CC..  trans-75.1110.6175.5-68.5173.9000110.5T140 T144 M150 P188 Q240 L247T140-L153 HydrophobicContact CG2-CB 4.32Å; T140-L153 HydrophobicContact CG2-CD2 3.9Å; T144-L153 HydrophobicContact CG2-CD2 4.26Å; T144-L153 VanDerWaalsContact OG1-CD2 3.27Å; T144-L153 WeakPolarHBondContact OG1-CD2 3.31Å; M150-L153 HydrophobicContact CE-CD2 4.42Å; L153-P188 WeakPolarHBondContact O-CD 3.4Å; L153-Q240 PolarHBondContact O-NE2 3.38Å; L153-L247 HydrophobicContact CD1-CD1 3.76Å; L153-L247 HydrophobicContact CD2-CD1 3.79Å; L153-L247 HydrophobicContact CG-CD1 4.46Å
154V93.3Very high92.7Very high1 Ų131.1 Ų31.11%0.00620%0.198CC..  trans-69.2142.5174.2179.40000110.5I103 F104 V107 V136 T140 C152 V185 L187 L212I103-V154 HydrophobicContact CG2-CG1 4.34Å; F104-V154 HydrophobicContact CE1-CB 4.49Å; F104-V154 HydrophobicContact CE1-CG2 4.26Å; V107-V154 HydrophobicContact CB-CG2 4.17Å; V107-V154 HydrophobicContact CG1-CG2 3.66Å; V107-V154 HydrophobicContact CG2-CG2 3.61Å; V136-V154 HydrophobicContact CG1-CG1 3.9Å; T140-V154 HydrophobicContact CG2-CB 4.26Å; T140-V154 WeakPolarHBondContact CG2-O 3.22Å; T140-V154 PolarHBondContact OG1-O 3.43Å; C152-V154 PolarHBondContact O-N 3.41Å; V154-V185 HydrophobicContact CG1-CG1 3.25Å; V154-L187 HydrophobicContact CB-CD2 4.28Å; V154-L187 HydrophobicContact CG2-CD2 3.52Å; V154-L212 HydrophobicContact CG2-CD1 4.31Å
155S94.3Very high92.5Very high0 Ų032.6 Ų32.60%020%0.202CC..EExtended strand (participates in β ladder)trans-132.7134.9165.5-176.10000111N137 C186 A236N137-S155 WeakPolarHBondContact OD1-CA 3.42Å; S155-C186 PolarHBondContact N-O 3.11Å; S155-C186 PolarHBondContact O-N 3.28Å; S155-A236 PolarHBondContact OG-O 3.19Å; S155-A236 VanDerWaalsContact OG-O 3.13Å
156A95.7Very high92.4Very high0 Ų032.8 Ų32.80%020%0.204CC..EExtended strand (participates in β ladder)trans-108.6138173.100000111.1A133 V136 N137 V184 V185 L239A133-A156 HydrophobicContact CB-CB 3.94Å; V136-A156 HydrophobicContact CB-CB 3.77Å; V136-A156 HydrophobicContact CG1-CB 3.9Å; V136-A156 HydrophobicContact CG2-CB 4.33Å; N137-A156 PolarHBondContact ND2-O 3.45Å; N137-A156 PolarHBondContact OD1-N 2.78Å; N137-A156 PolarHBondContact OD1-O 2.9Å; A156-V184 CarbonylContact C-O 3.44Å; A156-V184 VanDerWaalsContact CA-O 3.25Å; A156-V184 WeakPolarHBondContact CA-O 3.38Å; A156-V185 HydrophobicContact CB-CG2 3.95Å; A156-L239 VanDerWaalsContact O-CD1 3.31Å; A156-L239 WeakPolarHBondContact O-CD1 3.45Å
157A95.2Very high92.4Very high1 Ų131.8 Ų31.81%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-137.2140173.800000111.1T183 V184 V235 A236 L239A157-T183 WeakPolarHBondContact O-CA 3.4Å; A157-V184 PolarHBondContact N-O 3.48Å; A157-V184 PolarHBondContact O-N 3.07Å; A157-V235 HydrophobicContact CB-CB 3.94Å; A157-V235 HydrophobicContact CB-CG1 3.67Å; A157-A236 HydrophobicContact CB-CB 3.74Å; A157-L239 HydrophobicContact CB-CD1 4.1Å
158T95.2Very high92.4Very high3 Ų329.1 Ų29.12%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-101.9135.8171.8-54.30000109.4S130 D169 L170 Q181 L182 T183S130-T158 WeakPolarHBondContact OG-CB 3.34Å; T158-D169 WeakPolarHBondContact O-CA 3.36Å; T158-D169 PolarHBondContact O-N 2.97Å; T158-L170 HydrophobicContact CG2-CD1 4.12Å; T158-L170 HydrophobicContact CG2-CG 4.29Å; T158-Q181 HydrophobicContact CG2-CB 4.47Å; T158-L182 CarbonylContact C-O 3.48Å; T158-L182 WeakPolarHBondContact CA-O 3.39Å; T158-T183 PolarHBondContact OG1-OG1 3.23Å
159V95.2Very high92.3Very high1 Ų128.8 Ų28.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-128.2148.8171.8-64.60000110.1V166 F167 Q181 L182 L228 A232 V235V159-V166 HydrophobicContact CB-CG1 4.14Å; V159-F167 CarbonylContact C-O 3.57Å; V159-F167 WeakPolarHBondContact CA-O 3.38Å; V159-Q181 WeakPolarHBondContact O-CA 3.29Å; V159-L182 HydrophobicContact CG2-CB 4.11Å; V159-L182 PolarHBondContact N-O 3.3Å; V159-L182 PolarHBondContact O-N 2.79Å; V159-L228 HydrophobicContact CG2-CD2 3.45Å; V159-L228 VanDerWaalsContact CG2-CD2 3.45Å; V159-L228 HydrophobicContact CG2-CG 3.81Å; V159-A232 HydrophobicContact CB-CB 4.44Å; V159-A232 HydrophobicContact CG1-CB 3.9Å; V159-A232 HydrophobicContact CG2-CB 3.64Å; V159-V235 HydrophobicContact CG1-CG2 4.12Å
160G93.9Very high92.3Very high0 Ų025.7 Ų25.70%015%0.152CC..EExtended strand (participates in β ladder)trans-122.5144.3175.100000112.4V166 F167 S180G160-V166 CarbonylContact O-C 3.5Å; G160-V166 WeakPolarHBondContact O-CA 3.33Å; G160-F167 PolarHBondContact N-O 3.02Å; G160-F167 PolarHBondContact O-N 3.49Å; G160-S180 CarbonylContact C-O 3.52Å; G160-S180 VanDerWaalsContact CA-O 3.3Å; G160-S180 WeakPolarHBondContact CA-O 3.28Å
161L92.1Very high92.3Very high21 Ų2124.9 Ų24.911%0.1115%0.149CC..EExtended strand (participates in β ladder)trans-100.1124.3170.9-168.564.6000110.5V166 I179 S180 L220 R224 L228L161-V166 HydrophobicContact CD1-CG2 3.9Å; L161-I179 WeakPolarHBondContact O-CA 3.35Å; L161-S180 PolarHBondContact N-O 2.81Å; L161-S180 PolarHBondContact O-N 3.23Å; L161-L220 HydrophobicContact CB-CD1 4.5Å; L161-L220 HydrophobicContact CD2-CD1 3.57Å; L161-R224 HydrophobicContact CD2-CB 4.03Å; L161-R224 HydrophobicContact CD2-CG 4.2Å; L161-L228 HydrophobicContact CB-CD1 3.58Å; L161-L228 HydrophobicContact CD1-CD1 4.39Å; L161-L228 HydrophobicContact CD2-CD1 4.39Å; L161-L228 HydrophobicContact CG-CD1 4.33Å
162W89Confident92.4Very high82 Ų8226.1 Ų26.131%0.31115%0.147SC..EExtended strand (participates in β ladder)trans-125.9105.4170.2-177-113.7000110.3S164 H165 F167 R178 I179W162-S164 PolarHBondContact O-N 3.46Å; W162-H165 PolarHBondContact N-O 2.79Å; W162-H165 PolarHBondContact O-N 3Å; W162-F167 HydrophobicContact CB-CD2 4.3Å; W162-F167 HydrophobicContact CB-CE2 3.53Å; W162-F167 HydrophobicContact CB-CZ 3.84Å; W162-F167 HydrophobicContact CG-CE2 4.1Å; W162-F167 HydrophobicContact CG-CZ 4.31Å; W162-R178 HydrophobicContact CE3-CB 4.48Å; W162-R178 HydrophobicContact CH2-CB 4.26Å; W162-R178 HydrophobicContact CZ3-CB 3.57Å; W162-I179 HydrophobicContact CB-CD1 4.43Å; W162-I179 HydrophobicContact CB-CG1 4.17Å; W162-I179 HydrophobicContact CD2-CG1 4.19Å; W162-I179 HydrophobicContact CE3-CD1 4.41Å; W162-I179 HydrophobicContact CE3-CG1 3.6Å; W162-I179 HydrophobicContact CG-CG1 4.46Å; W162-I179 HydrophobicContact CZ3-CG1 4.4Å
163G86.8Confident92.4Very high61 Ų6130.7 Ų30.763%0.62917%0.166SC*.THydrogen-bonded Turntrans60.8-110.2-174.800000111.6
164S87.7Confident92.3Very high86 Ų8628.6 Ų28.660%0.60116%0.155SC*.THydrogen-bonded Turntrans-100.6-3.8175.454.60000114W162W162-S164 PolarHBondContact O-N 3.46Å
165H90.3Very high92.2Very high76 Ų7631.9 Ų31.935%0.35217%0.17SC..EExtended strand (participates in β ladder)trans-102.2137.7-174.2-60.2-66.3000111.5F5 W162 F167F5-H165 AromaticContact CD1-CD2 3.62Å; F5-H165 AromaticContact CD1-NE2 3.91Å; F5-H165 AromaticContact CE1-CD2 3.53Å; F5-H165 AromaticContact CE1-CE1 3.7Å; F5-H165 AromaticContact CE1-CG 3.77Å; F5-H165 AromaticContact CE1-ND1 3.86Å; F5-H165 AromaticContact CE1-NE2 3.49Å; F5-H165 WeakPolarHBondContact CE1-NE2 3.47Å; W162-H165 PolarHBondContact N-O 2.79Å; W162-H165 PolarHBondContact O-N 3Å; H165-F167 HydrophobicContact CB-CE1 3.78Å; H165-F167 HydrophobicContact CB-CZ 4.23Å
166V92.3Very high91.8Very high40 Ų4033.8 Ų33.824%0.24218%0.18CC..EExtended strand (participates in β ladder)trans-102.6127172.8-177.60000108.6P16 V159 G160 L161 E231P16-V166 VanDerWaalsContact CB-O 3.29Å; P16-V166 WeakPolarHBondContact CB-O 3.22Å; V159-V166 HydrophobicContact CB-CG1 4.14Å; G160-V166 CarbonylContact O-C 3.5Å; G160-V166 WeakPolarHBondContact O-CA 3.33Å; L161-V166 HydrophobicContact CD1-CG2 3.9Å; V166-E231 HydrophobicContact CG1-CB 3.98Å; V166-E231 HydrophobicContact CG1-CG 4.35Å
167F94Very high91.3Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-103.2127175.2-58.1-27.7000110.1I4 F5 R10 P16 V159 G160 W162 H165 L170 I179I4-F167 HydrophobicContact CG2-CE2 4.06Å; F5-F167 HydrophobicContact CB-CE1 4.28Å; F5-F167 HydrophobicContact CB-CZ 3.62Å; F5-F167 AromaticContact CD2-CE1 3.68Å; F5-F167 HydrophobicContact CD2-CE1 3.68Å; F5-F167 AromaticContact CD2-CZ 3.89Å; F5-F167 HydrophobicContact CD2-CZ 3.89Å; F5-F167 HydrophobicContact CE2-CE1 4.14Å; F5-F167 AromaticContact CG-CE1 3.97Å; F5-F167 HydrophobicContact CG-CE1 3.97Å; F5-F167 AromaticContact CG-CZ 3.8Å; F5-F167 HydrophobicContact CG-CZ 3.8Å; R10-F167 HydrophobicContact CG-CD1 4.21Å; R10-F167 HydrophobicContact CG-CE1 4.32Å; P16-F167 HydrophobicContact CB-CD1 3.99Å; P16-F167 HydrophobicContact CB-CE1 4.36Å; P16-F167 HydrophobicContact CG-CE1 4.5Å; P16-F167 CarbonylContact O-C 3.56Å; P16-F167 WeakPolarHBondContact O-CA 3.47Å; V159-F167 CarbonylContact C-O 3.57Å; V159-F167 WeakPolarHBondContact CA-O 3.38Å; G160-F167 PolarHBondContact N-O 3.02Å; G160-F167 PolarHBondContact O-N 3.49Å; W162-F167 HydrophobicContact CB-CD2 4.3Å; W162-F167 HydrophobicContact CB-CE2 3.53Å; W162-F167 HydrophobicContact CB-CZ 3.84Å; W162-F167 HydrophobicContact CG-CE2 4.1Å; W162-F167 HydrophobicContact CG-CZ 4.31Å; H165-F167 HydrophobicContact CB-CE1 3.78Å; H165-F167 HydrophobicContact CB-CZ 4.23Å; F167-L170 HydrophobicContact CB-CD2 3.74Å; F167-L170 HydrophobicContact CD2-CD2 4.49Å; F167-I179 HydrophobicContact CD2-CD1 4.5Å; F167-I179 HydrophobicContact CE2-CD1 4.44Å
168A93.8Very high90.8Very high2 Ų247.6 Ų47.62%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-85.2133173.700000110.4R10 R14 P16 V235R10-A168 PolarHBondContact NH1-O 3.09Å; R10-A168 PolarHBondContact NH2-O 2.8Å; R14-A168 PolarHBondContact NH1-O 2.95Å; P16-A168 PolarHBondContact O-N 2.71Å; A168-V235 HydrophobicContact CB-CB 4.45Å; A168-V235 HydrophobicContact CB-CG1 4.09Å; A168-V235 HydrophobicContact CB-CG2 3.42Å; A168-V235 VanDerWaalsContact CB-CG2 3.42Å
169D94.3Very high90.6Very high1 Ų147.6 Ų47.61%0.00525%0.249CC..SBendtrans54.186.9176.8-179.126.4000112.9R10 R14 I19 R20 Q39 S130 T158R10-D169 PolarHBondContact NH2-O 3.06Å; R14-D169 PolarHBondContact NH1-O 3.08Å; R14-D169 VanDerWaalsContact NH1-O 3.13Å; R14-D169 IonicContact NH1-OD2 3.96Å; R14-D169 PolarHBondContact NH2-O 3.07Å; R14-D169 VanDerWaalsContact NH2-O 3.07Å; I19-D169 HydrophobicContact CB-CB 4.48Å; I19-D169 HydrophobicContact CG2-CB 4.31Å; R20-D169 VanDerWaalsContact CB-OD2 3.28Å; R20-D169 WeakPolarHBondContact CB-OD2 3.39Å; R20-D169 VanDerWaalsContact CG-OD2 3.29Å; R20-D169 WeakPolarHBondContact CG-OD2 3.05Å; R20-D169 IonicContact CZ-OD1 2.63Å; R20-D169 IonicContact CZ-OD2 2.76Å; R20-D169 PolarHBondContact N-OD2 2.95Å; R20-D169 IonicContact NE-OD1 3.73Å; R20-D169 PolarHBondContact NE-OD1 3.13Å; R20-D169 IonicContact NE-OD2 3.4Å; R20-D169 PolarHBondContact NE-OD2 3.37Å; R20-D169 IonicContact NH2-OD1 3.38Å; R20-D169 PolarHBondContact NH2-OD1 2.85Å; R20-D169 IonicContact NH2-OD2 3.25Å; Q39-D169 PolarHBondContact NE2-OD1 2.74Å; Q39-D169 VanDerWaalsContact NE2-OD1 3.12Å; Q39-D169 PolarHBondContact NE2-OD2 3.1Å; S130-D169 PolarHBondContact OG-OD1 2.73Å; T158-D169 WeakPolarHBondContact O-CA 3.36Å; T158-D169 PolarHBondContact O-N 2.97Å
170L93.6Very high90.4Very high0 Ų048.6 Ų48.60%026%0.257CS..  trans-71.6133.9-176.9-60.1179.7000111R20 G129 S130 T158 F167 E174 E175 I179 Q181R20-L170 PolarHBondContact NH2-O 3.33Å; R20-L170 VanDerWaalsContact NH2-O 3.17Å; G129-L170 CarbonylContact C-O 3.5Å; S130-L170 PolarHBondContact N-O 2.7Å; S130-L170 PolarHBondContact OG-N 2.88Å; S130-L170 VanDerWaalsContact OG-N 3.17Å; S130-L170 PolarHBondContact OG-O 3.49Å; T158-L170 HydrophobicContact CG2-CD1 4.12Å; T158-L170 HydrophobicContact CG2-CG 4.29Å; F167-L170 HydrophobicContact CB-CD2 3.74Å; F167-L170 HydrophobicContact CD2-CD2 4.49Å; L170-E174 WeakPolarHBondContact CA-OE2 3.2Å; L170-E174 HydrophobicContact CB-CB 4.38Å; L170-E174 HydrophobicContact CD2-CB 4.09Å; L170-E175 HydrophobicContact CB-CG 4.05Å; L170-E175 HydrophobicContact CD1-CG 4.47Å; L170-I179 HydrophobicContact CD1-CG2 4.2Å; L170-Q181 HydrophobicContact CD1-CB 3.68Å
171C92Very high90.4Very high10 Ų1050.6 Ų50.67%0.06827%0.266CS..  trans-84.4166.8166.374.70000110.7D128 F173 E174 E175D128-C171 CarbonylContact O-C 3.54Å; D128-C171 VanDerWaalsContact O-CA 3.27Å; D128-C171 WeakPolarHBondContact O-CA 3.4Å; C171-F173 PolarHBondContact O-N 2.95Å; C171-F173 VanDerWaalsContact O-N 3.11Å; C171-E174 PolarHBondContact N-OE2 3.28Å; C171-E174 PolarHBondContact O-N 2.76Å; C171-E174 VanDerWaalsContact SG-CD 3.52Å; C171-E174 PolarHBondContact SG-OE2 3.44Å; C171-E174 VanDerWaalsContact SG-OE2 3.35Å; C171-E175 PolarHBondContact O-N 3.25Å
172R90.7Very high90.5Very high106 Ų10649.8 Ų49.840%0.426%0.262SS..THydrogen-bonded Turntrans-54.6-35.6-179.5174.8178.5172.4-91.8-19.3113.1T79 S80 D128 E174 E175T79-R172 PolarHBondContact O-NH1 2.99Å; S80-R172 VanDerWaalsContact CA-NH2 3.25Å; S80-R172 VanDerWaalsContact CB-CZ 3.47Å; D128-R172 PolarHBondContact O-N 3.3Å; D128-R172 WeakPolarHBondContact OD1-CB 3.47Å; R172-E174 VanDerWaalsContact C-N 3.25Å; R172-E174 PolarHBondContact O-N 3.17Å; R172-E175 PolarHBondContact O-N 2.89Å
173F88.9Confident90.8Very high109 Ų10946.4 Ų46.448%0.47825%0.25SC..THydrogen-bonded Turntrans-68.3-28.8-179.7-170.4-93.7000112.4A2 I4 V11 C171A2-F173 HydrophobicContact CB-CZ 4.16Å; I4-F173 HydrophobicContact CG1-CE1 4.45Å; V11-F173 HydrophobicContact CB-CD1 4.23Å; V11-F173 HydrophobicContact CG1-CD1 4Å; V11-F173 HydrophobicContact CG1-CE1 4.13Å; V11-F173 HydrophobicContact CG2-CD1 3.77Å; V11-F173 HydrophobicContact CG2-CE1 3.82Å; C171-F173 PolarHBondContact O-N 2.95Å; C171-F173 VanDerWaalsContact O-N 3.11Å
174E91Very high91.2Very high0 Ų043.5 Ų43.50%022%0.22CC..THydrogen-bonded Turntrans-89.3-22.1179.6-62.8164.4147.300112.5I4 R10 L170 C171 R172 N176 I179I4-E174 HydrophobicContact CG2-CG 3.83Å; R10-E174 IonicContact CZ-OE1 3.34Å; R10-E174 IonicContact CZ-OE2 3.55Å; R10-E174 IonicContact NE-OE1 3.13Å; R10-E174 PolarHBondContact NE-OE1 3.45Å; R10-E174 IonicContact NE-OE2 2.69Å; R10-E174 VanDerWaalsContact NH2-CD 3.26Å; R10-E174 IonicContact NH2-OE1 3.2Å; R10-E174 PolarHBondContact NH2-OE1 2.71Å; R10-E174 IonicContact NH2-OE2 2.62Å; R10-E174 PolarHBondContact NH2-OE2 2.98Å; L170-E174 WeakPolarHBondContact CA-OE2 3.2Å; L170-E174 HydrophobicContact CB-CB 4.38Å; L170-E174 HydrophobicContact CD2-CB 4.09Å; C171-E174 PolarHBondContact N-OE2 3.28Å; C171-E174 PolarHBondContact O-N 2.76Å; C171-E174 VanDerWaalsContact SG-CD 3.52Å; C171-E174 PolarHBondContact SG-OE2 3.44Å; C171-E174 VanDerWaalsContact SG-OE2 3.35Å; R172-E174 VanDerWaalsContact C-N 3.25Å; R172-E174 PolarHBondContact O-N 3.17Å; E174-N176 PolarHBondContact O-N 2.96Å; E174-I179 HydrophobicContact CB-CD1 4.17Å; E174-I179 WeakPolarHBondContact O-CD1 3.34Å
175E89.4Confident91.5Very high71 Ų7139.4 Ų39.433%0.33219%0.191SC..  trans-69.972.4169-71.3-173163.500110.9G129 S130 L170 C171 R172G129-E175 VanDerWaalsContact CA-CD 3.46Å; G129-E175 WeakPolarHBondContact CA-OE1 3.33Å; G129-E175 WeakPolarHBondContact CA-OE2 3.44Å; S130-E175 PolarHBondContact N-OE1 2.87Å; L170-E175 HydrophobicContact CB-CG 4.05Å; L170-E175 HydrophobicContact CD1-CG 4.47Å; C171-E175 PolarHBondContact O-N 3.25Å; R172-E175 PolarHBondContact O-N 2.89Å
176N86.9Confident91.7Very high39 Ų3935.8 Ų35.821%0.20918%0.175CC..SBendtrans-120.1156.617470.446.8000109.8I4 E174 R178 I179I4-N176 WeakPolarHBondContact CD1-ND2 3.44Å; E174-N176 PolarHBondContact O-N 2.96Å; N176-R178 PolarHBondContact O-N 3.43Å; N176-R178 WeakPolarHBondContact OD1-CA 3.42Å; N176-R178 VanDerWaalsContact OD1-CB 3.27Å; N176-R178 WeakPolarHBondContact OD1-CB 3.48Å; N176-R178 PolarHBondContact OD1-N 3.26Å; N176-I179 PolarHBondContact O-N 3.37Å; N176-I179 PolarHBondContact OD1-N 3.48Å
177P84.9Confident91.5Very high133 Ų13334.4 Ų34.486%0.86417%0.166SC*.THydrogen-bonded Turntrans-64.9-5.4-177.923.3-33.2000114.4
178R85.5Confident90.8Very high158 Ų15835.7 Ų35.760%0.59617%0.174SC*.THydrogen-bonded Turntrans-89.2-19.6176.4-44.6-179.9173.5-178-4.6112.5W162 N176W162-R178 HydrophobicContact CE3-CB 4.48Å; W162-R178 HydrophobicContact CH2-CB 4.26Å; W162-R178 HydrophobicContact CZ3-CB 3.57Å; N176-R178 PolarHBondContact O-N 3.43Å; N176-R178 WeakPolarHBondContact OD1-CA 3.42Å; N176-R178 VanDerWaalsContact OD1-CB 3.27Å; N176-R178 WeakPolarHBondContact OD1-CB 3.48Å; N176-R178 PolarHBondContact OD1-N 3.26Å
179I89.3Confident89.6Confident3 Ų338.2 Ų38.22%0.01519%0.188CC..SBendtrans-96.9122.2175.7-70.9174.4000107.6I4 L161 W162 F167 L170 E174 N176 Q181I4-I179 HydrophobicContact CD1-CD1 3.69Å; I4-I179 HydrophobicContact CD1-CG1 4.43Å; I4-I179 HydrophobicContact CG2-CD1 4.1Å; L161-I179 WeakPolarHBondContact O-CA 3.35Å; W162-I179 HydrophobicContact CB-CD1 4.43Å; W162-I179 HydrophobicContact CB-CG1 4.17Å; W162-I179 HydrophobicContact CD2-CG1 4.19Å; W162-I179 HydrophobicContact CE3-CD1 4.41Å; W162-I179 HydrophobicContact CE3-CG1 3.6Å; W162-I179 HydrophobicContact CG-CG1 4.46Å; W162-I179 HydrophobicContact CZ3-CG1 4.4Å; F167-I179 HydrophobicContact CD2-CD1 4.5Å; F167-I179 HydrophobicContact CE2-CD1 4.44Å; L170-I179 HydrophobicContact CD1-CG2 4.2Å; E174-I179 HydrophobicContact CB-CD1 4.17Å; E174-I179 WeakPolarHBondContact O-CD1 3.34Å; N176-I179 PolarHBondContact O-N 3.37Å; N176-I179 PolarHBondContact OD1-N 3.48Å; I179-Q181 PolarHBondContact O-N 3.27Å
180S91.8Very high87.7Confident23 Ų2341.3 Ų41.316%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-78114.6176.7-59.90000109.6G160 L161 S218 W219G160-S180 CarbonylContact C-O 3.52Å; G160-S180 VanDerWaalsContact CA-O 3.3Å; G160-S180 WeakPolarHBondContact CA-O 3.28Å; L161-S180 PolarHBondContact N-O 2.81Å; L161-S180 PolarHBondContact O-N 3.23Å; S180-S218 WeakPolarHBondContact CA-OG 3.17Å; S180-S218 WeakPolarHBondContact CB-OG 3.22Å; S180-W219 PolarHBondContact OG-O 2.79Å
181Q93.5Very high85.5Confident41 Ų4147.7 Ų47.719%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-103.9136.6-177.460.4172.5-15.500112.7T158 V159 L170 I179 S217 S218T158-Q181 HydrophobicContact CG2-CB 4.47Å; V159-Q181 WeakPolarHBondContact O-CA 3.29Å; L170-Q181 HydrophobicContact CD1-CB 3.68Å; I179-Q181 PolarHBondContact O-N 3.27Å; Q181-S217 WeakPolarHBondContact CG-OG 3.35Å; Q181-S217 PolarHBondContact NE2-OG 2.69Å; Q181-S217 PolarHBondContact O-N 2.77Å; Q181-S217 VanDerWaalsContact O-N 3.14Å; Q181-S218 PolarHBondContact N-OG 3.37Å; Q181-S218 VanDerWaalsContact N-OG 3.08Å
182L94.6Very high83.2Confident5 Ų555 Ų553%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-123.6129.8171.3-177.574.8000108.6T158 V159 V184 R215 L216 L228 I229 A232T158-L182 CarbonylContact C-O 3.48Å; T158-L182 WeakPolarHBondContact CA-O 3.39Å; V159-L182 HydrophobicContact CG2-CB 4.11Å; V159-L182 PolarHBondContact N-O 3.3Å; V159-L182 PolarHBondContact O-N 2.79Å; L182-V184 HydrophobicContact CD2-CG2 3.46Å; L182-V184 VanDerWaalsContact CD2-CG2 3.46Å; L182-V184 HydrophobicContact CG-CG2 3.8Å; L182-R215 CarbonylContact C-O 3.57Å; L182-R215 WeakPolarHBondContact CA-O 3.37Å; L182-L216 HydrophobicContact CB-CD1 4.32Å; L182-L216 HydrophobicContact CD1-CB 4.2Å; L182-L216 HydrophobicContact CD1-CD1 4.01Å; L182-L228 HydrophobicContact CB-CD2 3.15Å; L182-L228 HydrophobicContact CD2-CD2 3.37Å; L182-L228 HydrophobicContact CG-CD2 3.86Å; L182-I229 HydrophobicContact CD2-CB 4.42Å; L182-I229 HydrophobicContact CD2-CG1 3.53Å; L182-A232 HydrophobicContact CD2-CB 4.5Å
183T95.2Very high80.8Confident10 Ų1057.2 Ų57.26%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-105.8129.4164.3-54.90000109.2F132 A133 A157 T158 T214 R215F132-T183 HydrophobicContact CD1-CG2 3.8Å; F132-T183 HydrophobicContact CE1-CG2 4.3Å; A133-T183 HydrophobicContact CB-CG2 4Å; A157-T183 WeakPolarHBondContact O-CA 3.4Å; T158-T183 PolarHBondContact OG1-OG1 3.23Å; T183-T214 CarbonylContact O-C 3.58Å; T183-T214 WeakPolarHBondContact O-CA 3.36Å; T183-R215 PolarHBondContact N-O 2.87Å; T183-R215 PolarHBondContact O-N 2.87Å
184V95.2Very high78.4Confident0 Ų054.9 Ų54.90%029%0.29CS..EExtended strand (participates in β ladder)trans-116.9135.3177.3-179.90000108.2A156 A157 L182 C186 I211 T214 A232 V233A156-V184 CarbonylContact C-O 3.44Å; A156-V184 VanDerWaalsContact CA-O 3.25Å; A156-V184 WeakPolarHBondContact CA-O 3.38Å; A157-V184 PolarHBondContact N-O 3.48Å; A157-V184 PolarHBondContact O-N 3.07Å; L182-V184 HydrophobicContact CD2-CG2 3.46Å; L182-V184 VanDerWaalsContact CD2-CG2 3.46Å; L182-V184 HydrophobicContact CG-CG2 3.8Å; V184-C186 HydrophobicContact CG1-CB 4.47Å; V184-I211 HydrophobicContact CG1-CD1 4.35Å; V184-I211 HydrophobicContact CG1-CG1 4.05Å; V184-I211 HydrophobicContact CG1-CG2 3.83Å; V184-T214 HydrophobicContact CG1-CG2 4.5Å; V184-T214 HydrophobicContact CG2-CG2 4.25Å; V184-A232 HydrophobicContact CB-CB 3.94Å; V184-A232 HydrophobicContact CG2-CB 3.49Å; V184-A232 VanDerWaalsContact CG2-CB 3.49Å; V184-V233 HydrophobicContact CG1-CG2 4.42Å
185V95.4Very high76Confident0 Ų058.2 Ų58.20%032%0.324CS..EExtended strand (participates in β ladder)trans-109.9117.1170.3-176.20000106.9I103 F132 V136 V154 A156 L212 H213I103-V185 HydrophobicContact CD1-CB 4.44Å; I103-V185 HydrophobicContact CD1-CG1 4.29Å; I103-V185 HydrophobicContact CD1-CG2 3.86Å; I103-V185 HydrophobicContact CG2-CG1 3.97Å; F132-V185 HydrophobicContact CE1-CG2 4.27Å; V136-V185 HydrophobicContact CG1-CG1 4.17Å; V154-V185 HydrophobicContact CG1-CG1 3.25Å; A156-V185 HydrophobicContact CB-CG2 3.95Å; V185-L212 HydrophobicContact CG1-CB 4.45Å; V185-L212 PolarHBondContact O-N 3.5Å; V185-H213 HydrophobicContact CB-CB 4.01Å; V185-H213 HydrophobicContact CG2-CB 4.03Å; V185-H213 PolarHBondContact N-O 3.04Å; V185-H213 PolarHBondContact O-N 2.99Å
186C92.5Very high73.6Confident0 Ų059.9 Ų59.90%034%0.338CS..EExtended strand (participates in β ladder)trans-126152-176.667.50000112.4S155 V184 Q210 A236S155-C186 PolarHBondContact N-O 3.11Å; S155-C186 PolarHBondContact O-N 3.28Å; V184-C186 HydrophobicContact CG1-CB 4.47Å; C186-Q210 WeakPolarHBondContact CA-O 3.46Å; C186-A236 WeakPolarHBondContact SG-CB 3.39Å
187L89.3Confident71Confident12 Ų1265.5 Ų65.56%0.06337%0.369CS..  trans-94.4147.7167.9-61.6-179.7000110.2V107 C152 V154 P209 Q210 L212V107-L187 HydrophobicContact CG2-CD2 4.19Å; C152-L187 VanDerWaalsContact SG-CD1 3.58Å; C152-L187 WeakPolarHBondContact SG-CD2 3.36Å; V154-L187 HydrophobicContact CB-CD2 4.28Å; V154-L187 HydrophobicContact CG2-CD2 3.52Å; L187-P209 WeakPolarHBondContact O-CB 3.25Å; L187-Q210 HydrophobicContact CB-CB 4.41Å; L187-Q210 PolarHBondContact N-O 3.42Å; L187-L212 HydrophobicContact CD1-CD1 3.89Å; L187-L212 HydrophobicContact CD1-CD2 3.83Å; L187-L212 HydrophobicContact CD1-CG 3.96Å; L187-L212 HydrophobicContact CD2-CD1 3.5Å; L187-L212 HydrophobicContact CD2-CG 4.27Å; L187-L212 HydrophobicContact CG-CD1 3.59Å; L187-L212 HydrophobicContact CG-CD2 4.25Å; L187-L212 HydrophobicContact CG-CG 3.8Å
188P79.7Confident68.9Low26 Ų2663.2 Ų63.217%0.16935%0.352CS..  trans-60.7157.1167.825.2-29.6000109.5C152 L153 V190C152-P188 HydrophobicContact CB-CG 3.75Å; L153-P188 WeakPolarHBondContact O-CD 3.4Å; P188-V190 WeakPolarHBondContact O-CG2 3.3Å; P188-V190 PolarHBondContact O-N 2.92Å
189N67.8Low66.9Low56 Ų5664.1 Ų64.130%0.29936%0.363SS..  trans-57.7105.7168-78.8-19.3000110.1H191 L192 S207 Q208 P209N189-H191 PolarHBondContact O-N 2.9Å; N189-H191 VanDerWaalsContact O-N 3.16Å; N189-L192 PolarHBondContact O-N 2.85Å; N189-S207 VanDerWaalsContact CG-OG 3.25Å; N189-S207 PolarHBondContact ND2-O 2.94Å; N189-S207 VanDerWaalsContact OD1-C 3.27Å; N189-S207 PolarHBondContact OD1-O 2.87Å; N189-S207 VanDerWaalsContact OD1-O 3.07Å; N189-S207 PolarHBondContact OD1-OG 3.12Å; N189-Q208 PolarHBondContact OD1-O 3.42Å; N189-P209 WeakPolarHBondContact OD1-CA 3.4Å
190V55.3Low64.7Low65 Ų6572.4 Ų72.439%0.39440%0.402SS..G310 helixtrans-61.7-24.6-175.2-169.10000111.4P188 L192 L193P188-V190 WeakPolarHBondContact O-CG2 3.3Å; P188-V190 PolarHBondContact O-N 2.92Å; V190-L192 VanDerWaalsContact C-N 3.28Å; V190-L192 PolarHBondContact O-N 3.37Å; V190-L193 PolarHBondContact O-N 3.17Å
191H47.7Very low62.2Low135 Ų13579.7 Ų79.763%0.62543%0.434SS*.G310 helixtrans-73.9-8.1-175.4-64.6-15000115.6N189N189-H191 PolarHBondContact O-N 2.9Å; N189-H191 VanDerWaalsContact O-N 3.16Å
192L42.8Very low59.5Low163 Ų16384.9 Ų84.985%0.85346%0.461SS*.G310 helixtrans-80.5-18175-147.683000113.1N189 V190N189-L192 PolarHBondContact O-N 2.85Å; V190-L192 VanDerWaalsContact C-N 3.28Å; V190-L192 PolarHBondContact O-N 3.37Å
193L39.4Very low56.6Low152 Ų15287.4 Ų87.480%0.79649%0.488SS*.THydrogen-bonded Turntrans-101.3-24.1-175.7-68.6173.7000113.6V190 G195V190-L193 PolarHBondContact O-N 3.17Å; L193-G195 PolarHBondContact O-N 3.28Å; L193-G195 VanDerWaalsContact O-N 3.09Å
194S40.1Very low53.6Low61 Ų6195.7 Ų95.743%0.42753%0.526SS..SBendtrans-75.894.9167.656.80000108.2V196S194-V196 PolarHBondContact O-N 2.98Å
195G39.4Very low50.8Low70 Ų70107 Ų10772%0.72257%0.569SS**  trans-64.340.9178.100000115.1L193 N197L193-G195 PolarHBondContact O-N 3.28Å; L193-G195 VanDerWaalsContact O-N 3.09Å; G195-N197 PolarHBondContact O-N 2.9Å; G195-N197 VanDerWaalsContact O-N 3.16Å
196V38.5Very low48.1Very low105 Ų105116.5 Ų116.564%0.63661%0.61SS**  trans-84.289.5174.2-1630000107.2S194 T198S194-V196 PolarHBondContact O-N 2.98Å; V196-T198 WeakPolarHBondContact CG1-OG1 3.39Å; V196-T198 PolarHBondContact O-N 3.17Å
197N34Very low46.2Very low158 Ų158118.5 Ų118.585%0.84562%0.624SS**  trans-68.262.7166.1-67.5-25.6000110.3G195G195-N197 PolarHBondContact O-N 2.9Å; G195-N197 VanDerWaalsContact O-N 3.16Å
198T40.2Very low44.8Very low84 Ų84125.9 Ų125.952%0.51566%0.658SS.*  trans-98.694.3160.9-5.70000107.3V196 E200V196-T198 WeakPolarHBondContact CG1-OG1 3.39Å; V196-T198 PolarHBondContact O-N 3.17Å; T198-E200 PolarHBondContact O-N 3.41Å
199E42.8Very low44.2Very low177 Ų177125.8 Ų125.883%0.82766%0.658SS**THydrogen-bonded Turntrans-61-0.8177.1-72-177.7140.200113.6
200E43.5Very low44.9Very low177 Ų177128.7 Ų128.783%0.82767%0.67SS**THydrogen-bonded Turntrans-101.76-168.9-66.3-172.9152.800116.1T198T198-E200 PolarHBondContact O-N 3.41Å
201Q38.6Very low46.4Very low177 Ų177128.6 Ų128.683%0.82767%0.666SS**SBendtrans-129.812169-74.2-152.4-14.200115.6G203Q201-G203 PolarHBondContact O-N 2.99Å
202I37.7Very low48.2Very low149 Ų149124.7 Ų124.776%0.76465%0.65SS**  trans-83.447.7-177-50.5175.9000111.1
203G33.3Very low50.4Low58 Ų58119 Ų11960%0.59862%0.619SS**SBendtrans-141.251.1-174.500000112.9Q201Q201-G203 PolarHBondContact O-N 2.99Å
204Q32.7Very low52.9Low184 Ų184115.2 Ų115.286%0.8660%0.602SS**SBendtrans172.5-9.7150.3-99.4162.615.800115.7K206Q204-K206 PolarHBondContact O-N 3.39Å
205W35.6Very low55.4Low238 Ų238116.1 Ų116.190%0.90260%0.596SS**  trans-101.182.6178.4-57.673000108.6S207W205-S207 PolarHBondContact O-N 3.27Å
206K40Very low57.8Low199 Ų199116.3 Ų116.387%0.86558%0.58SS**  trans-57.492.4158.2-94.2-178.4176.2175.60105.7Q204 Q208Q204-K206 PolarHBondContact O-N 3.39Å; K206-Q208 WeakPolarHBondContact O-CG 3.5Å; K206-Q208 PolarHBondContact O-N 3.44Å
207S52.2Low60Low42 Ų42114.5 Ų114.529%0.29457%0.572SS.*  trans-48107.7-174.9-1730000107.2N189 W205N189-S207 VanDerWaalsContact CG-OG 3.25Å; N189-S207 PolarHBondContact ND2-O 2.94Å; N189-S207 VanDerWaalsContact OD1-C 3.27Å; N189-S207 PolarHBondContact OD1-O 2.87Å; N189-S207 VanDerWaalsContact OD1-O 3.07Å; N189-S207 PolarHBondContact OD1-OG 3.12Å; W205-S207 PolarHBondContact O-N 3.27Å
208Q60.3Low62.4Low167 Ų167108.2 Ų108.278%0.7854%0.54SS*.PPolyproline II helixtrans-87.9138.1177.1-72.5-161.2-8.600107.1N189 K206 Q210N189-Q208 PolarHBondContact OD1-O 3.42Å; K206-Q208 WeakPolarHBondContact O-CG 3.5Å; K206-Q208 PolarHBondContact O-N 3.44Å; Q208-Q210 PolarHBondContact O-N 2.87Å
209P66.6Low64.6Low25 Ų25114.3 Ų114.316%0.16255%0.554CS.*PPolyproline II helixtrans-58129.317622.3-30.4000108.9L187 N189 I211 V233L187-P209 WeakPolarHBondContact O-CB 3.25Å; N189-P209 WeakPolarHBondContact OD1-CA 3.4Å; P209-I211 PolarHBondContact O-N 2.85Å; P209-V233 HydrophobicContact CB-CG1 4.15Å; P209-V233 HydrophobicContact CG-CB 4.4Å; P209-V233 HydrophobicContact CG-CG1 3.15Å; P209-V233 HydrophobicContact CG-CG2 4.4Å
210Q82.9Confident66.7Low116 Ų116106.6 Ų106.654%0.54252%0.518SS..PPolyproline II helixtrans-74124.6-179-173.31770.200108.9C186 L187 Q208C186-Q210 WeakPolarHBondContact CA-O 3.46Å; L187-Q210 HydrophobicContact CB-CB 4.41Å; L187-Q210 PolarHBondContact N-O 3.42Å; Q208-Q210 PolarHBondContact O-N 2.87Å
211I85.3Confident68.9Low64 Ų64100.3 Ų100.333%0.32849%0.493SS..EExtended strand (participates in β ladder)trans-88.9120175.7-61.4170.9000107.7V184 P209 T214 I229 V233V184-I211 HydrophobicContact CG1-CD1 4.35Å; V184-I211 HydrophobicContact CG1-CG1 4.05Å; V184-I211 HydrophobicContact CG1-CG2 3.83Å; P209-I211 PolarHBondContact O-N 2.85Å; I211-T214 HydrophobicContact CG2-CG2 3.4Å; I211-I229 HydrophobicContact CD1-CG2 3.47Å; I211-I229 VanDerWaalsContact CD1-CG2 3.47Å; I211-V233 HydrophobicContact CD1-CG2 4.25Å; I211-V233 HydrophobicContact CG1-CG2 4.35Å
212L85.6Confident71.2Confident53 Ų5397.8 Ų97.828%0.27749%0.49SS..EExtended strand (participates in β ladder)trans-87.6-44.3178.2-69.6176.5000111.8I103 V107 V154 V185 L187I103-L212 HydrophobicContact CG2-CD1 4.38Å; V107-L212 HydrophobicContact CG2-CD1 3.49Å; V107-L212 VanDerWaalsContact CG2-CD1 3.49Å; V154-L212 HydrophobicContact CG2-CD1 4.31Å; V185-L212 HydrophobicContact CG1-CB 4.45Å; V185-L212 PolarHBondContact O-N 3.5Å; L187-L212 HydrophobicContact CD1-CD1 3.89Å; L187-L212 HydrophobicContact CD1-CD2 3.83Å; L187-L212 HydrophobicContact CD1-CG 3.96Å; L187-L212 HydrophobicContact CD2-CD1 3.5Å; L187-L212 HydrophobicContact CD2-CG 4.27Å; L187-L212 HydrophobicContact CG-CD1 3.59Å; L187-L212 HydrophobicContact CG-CD2 4.25Å; L187-L212 HydrophobicContact CG-CG 3.8Å
213H89.9Confident73.8Confident43 Ų4398.9 Ų98.920%0.19949%0.491CS..EExtended strand (participates in β ladder)trans-142.9141.6-174.9-174.686000110.1I103 V185I103-H213 HydrophobicContact CD1-CB 3.96Å; I103-H213 HydrophobicContact CG1-CB 3.85Å; V185-H213 HydrophobicContact CB-CB 4.01Å; V185-H213 HydrophobicContact CG2-CB 4.03Å; V185-H213 PolarHBondContact N-O 3.04Å; V185-H213 PolarHBondContact O-N 2.99Å
214T92.2Very high76.5Confident72 Ų72101.8 Ų101.844%0.44248%0.484SS..EExtended strand (participates in β ladder)trans-131.6136.3171.958.90000109.5T183 V184 I211T183-T214 CarbonylContact O-C 3.58Å; T183-T214 WeakPolarHBondContact O-CA 3.36Å; V184-T214 HydrophobicContact CG1-CG2 4.5Å; V184-T214 HydrophobicContact CG2-CG2 4.25Å; I211-T214 HydrophobicContact CG2-CG2 3.4Å
215R91.5Very high79.2Confident81 Ų8195.9 Ų95.931%0.30646%0.458SS..EExtended strand (participates in β ladder)trans-127.1113.4176.8-173.2-179-177.41170.9109.3L182 T183L182-R215 CarbonylContact C-O 3.57Å; L182-R215 WeakPolarHBondContact CA-O 3.37Å; T183-R215 PolarHBondContact N-O 2.87Å; T183-R215 PolarHBondContact O-N 2.87Å
216L90.8Very high81.8Confident74 Ų7491.6 Ų91.639%0.38745%0.448SS..EExtended strand (participates in β ladder)trans-101.6121.7172.9-171.276.5000108.4L182 S218 L220L182-L216 HydrophobicContact CB-CD1 4.32Å; L182-L216 HydrophobicContact CD1-CB 4.2Å; L182-L216 HydrophobicContact CD1-CD1 4.01Å; L216-S218 VanDerWaalsContact CD2-O 3.22Å; L216-S218 WeakPolarHBondContact CD2-O 3.37Å; L216-S218 WeakPolarHBondContact CG-O 3.47Å; L216-L220 HydrophobicContact CD1-CB 4.13Å; L216-L220 HydrophobicContact CD1-CD2 4.28Å; L216-L220 HydrophobicContact CD2-CB 4.16Å
217S85Confident84.2Confident66 Ų6685.4 Ų85.446%0.46243%0.428SS..  trans-93.3-3.9-177.295.90000114.1Q181Q181-S217 WeakPolarHBondContact CG-OG 3.35Å; Q181-S217 PolarHBondContact NE2-OG 2.69Å; Q181-S217 PolarHBondContact O-N 2.77Å; Q181-S217 VanDerWaalsContact O-N 3.14Å
218S83.6Confident86.1Confident26 Ų2683.5 Ų83.518%0.18242%0.415CS..SBendtrans-156.8149.3-161.252.60000109S180 Q181 L216 L220S180-S218 WeakPolarHBondContact CA-OG 3.17Å; S180-S218 WeakPolarHBondContact CB-OG 3.22Å; Q181-S218 PolarHBondContact N-OG 3.37Å; Q181-S218 VanDerWaalsContact N-OG 3.08Å; L216-S218 VanDerWaalsContact CD2-O 3.22Å; L216-S218 WeakPolarHBondContact CD2-O 3.37Å; L216-S218 WeakPolarHBondContact CG-O 3.47Å; S218-L220 PolarHBondContact O-N 3.36Å
219W85.9Confident87.6Confident213 Ų21377.2 Ų77.281%0.80739%0.386SS*.  trans-58.5138.3177.7-171.687.3000111.8S180 P221S180-W219 PolarHBondContact OG-O 2.79Å; W219-P221 HydrophobicContact CE3-CG 4.48Å; W219-P221 HydrophobicContact CH2-CB 4.29Å; W219-P221 HydrophobicContact CH2-CG 3.64Å; W219-P221 HydrophobicContact CZ3-CG 3.59Å
220L87.8Confident88.8Confident14 Ų1479.2 Ų79.27%0.07340%0.398CS..  trans-144.7131.3177.5-172.674.3000108.8L161 L216 S218 R224 L225 L228L161-L220 HydrophobicContact CB-CD1 4.5Å; L161-L220 HydrophobicContact CD2-CD1 3.57Å; L216-L220 HydrophobicContact CD1-CB 4.13Å; L216-L220 HydrophobicContact CD1-CD2 4.28Å; L216-L220 HydrophobicContact CD2-CB 4.16Å; S218-L220 PolarHBondContact O-N 3.36Å; L220-R224 HydrophobicContact CD1-CB 3.91Å; L220-R224 HydrophobicContact CD2-CB 4.41Å; L220-R224 HydrophobicContact CG-CB 4.07Å; L220-L225 HydrophobicContact CD2-CB 4.04Å; L220-L228 HydrophobicContact CD2-CD1 4.22Å
221P88.4Confident89.2Confident45 Ų4576.6 Ų76.629%0.29239%0.386SS..  trans-59.7141170.6-18.128.2000111.2W219 E223 R224 L225W219-P221 HydrophobicContact CE3-CG 4.48Å; W219-P221 HydrophobicContact CH2-CB 4.29Å; W219-P221 HydrophobicContact CH2-CG 3.64Å; W219-P221 HydrophobicContact CZ3-CG 3.59Å; P221-E223 PolarHBondContact O-N 3.01Å; P221-R224 HydrophobicContact CB-CG 4.41Å; P221-R224 HydrophobicContact CG-CG 4.39Å; P221-R224 PolarHBondContact O-N 3.16Å; P221-L225 PolarHBondContact O-N 3.18Å
222V88.8Confident89.6Confident125 Ų12573.6 Ų73.676%0.75837%0.37SS*.Hα-helixtrans-56.6-36.1-179.3177.60000112R224 L225V222-R224 PolarHBondContact O-N 2.93Å; V222-L225 VanDerWaalsContact O-CB 3.3Å; V222-L225 WeakPolarHBondContact O-CB 3.13Å; V222-L225 PolarHBondContact O-N 3.4Å
223E90.8Very high89.9Confident172 Ų17271.8 Ų71.880%0.80436%0.362SS*.Hα-helixtrans-58.8-30.7176.9-63160.3-163.900113.2P221 P227P221-E223 PolarHBondContact O-N 3.01Å; E223-P227 WeakPolarHBondContact O-CD 3.49Å
224R90.5Very high90Very high119 Ų11974.4 Ų74.445%0.44937%0.372SS..Hα-helixtrans-90.7-12.9179.5-62.8-69.3-173.9161.80.8112.4L161 L220 P221 V222 P227 L228L161-R224 HydrophobicContact CD2-CB 4.03Å; L161-R224 HydrophobicContact CD2-CG 4.2Å; L220-R224 HydrophobicContact CD1-CB 3.91Å; L220-R224 HydrophobicContact CD2-CB 4.41Å; L220-R224 HydrophobicContact CG-CB 4.07Å; P221-R224 HydrophobicContact CB-CG 4.41Å; P221-R224 HydrophobicContact CG-CG 4.39Å; P221-R224 PolarHBondContact O-N 3.16Å; V222-R224 PolarHBondContact O-N 2.93Å; R224-P227 WeakPolarHBondContact O-CD 3.45Å; R224-P227 WeakPolarHBondContact O-CG 3.35Å; R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 PolarHBondContact O-N 3.11Å
225L90.3Very high90.1Very high60 Ų6071.4 Ų71.431%0.31435%0.354SS..Hα-helixtrans-71.8-47-174.9-178136.2000112.1L220 P221 V222 L228 I229L220-L225 HydrophobicContact CD2-CB 4.04Å; P221-L225 PolarHBondContact O-N 3.18Å; V222-L225 VanDerWaalsContact O-CB 3.3Å; V222-L225 WeakPolarHBondContact O-CB 3.13Å; V222-L225 PolarHBondContact O-N 3.4Å; L225-L228 PolarHBondContact O-N 2.63Å; L225-I229 HydrophobicContact CD2-CD1 3.39Å; L225-I229 HydrophobicContact CD2-CG1 4.41Å; L225-I229 HydrophobicContact CG-CD1 3.93Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.34Å
226Q89.4Confident90.2Very high148 Ų14867.6 Ų67.669%0.69234%0.34SS*.Hα-helixtrans-61.3-47.8-180-168.2177.1-1.200114.5L228 I229 T230Q226-L228 VanDerWaalsContact C-N 3.25Å; Q226-L228 PolarHBondContact O-N 3.38Å; Q226-I229 PolarHBondContact O-N 2.98Å; Q226-T230 PolarHBondContact O-N 2.96Å; Q226-T230 PolarHBondContact O-OG1 3.36Å
227P90.3Very high90.3Very high68 Ų6867.3 Ų67.344%0.44234%0.336SS..Hα-helixtrans-64-34.9176.223.1-32.2000111.6E223 R224 T230 E231E223-P227 WeakPolarHBondContact O-CD 3.49Å; R224-P227 WeakPolarHBondContact O-CD 3.45Å; R224-P227 WeakPolarHBondContact O-CG 3.35Å; P227-T230 WeakPolarHBondContact O-CB 3.25Å; P227-T230 PolarHBondContact O-N 2.67Å; P227-E231 WeakPolarHBondContact O-CG 3.45Å; P227-E231 PolarHBondContact O-N 2.7Å
228L91.9Very high90.6Very high2 Ų267.2 Ų67.21%0.0133%0.333CS..Hα-helixtrans-70.9-39.3-179.4-166.3141.2000112.5V159 L161 L182 L220 R224 L225 Q226 T230 E231 A232V159-L228 HydrophobicContact CG2-CD2 3.45Å; V159-L228 VanDerWaalsContact CG2-CD2 3.45Å; V159-L228 HydrophobicContact CG2-CG 3.81Å; L161-L228 HydrophobicContact CB-CD1 3.58Å; L161-L228 HydrophobicContact CD1-CD1 4.39Å; L161-L228 HydrophobicContact CD2-CD1 4.39Å; L161-L228 HydrophobicContact CG-CD1 4.33Å; L182-L228 HydrophobicContact CB-CD2 3.15Å; L182-L228 HydrophobicContact CD2-CD2 3.37Å; L182-L228 HydrophobicContact CG-CD2 3.86Å; L220-L228 HydrophobicContact CD2-CD1 4.22Å; R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 PolarHBondContact O-N 3.11Å; L225-L228 PolarHBondContact O-N 2.63Å; Q226-L228 VanDerWaalsContact C-N 3.25Å; Q226-L228 PolarHBondContact O-N 3.38Å; L228-T230 VanDerWaalsContact C-N 3.32Å; L228-E231 PolarHBondContact O-N 3.35Å; L228-A232 WeakPolarHBondContact O-CB 3.21Å; L228-A232 PolarHBondContact O-N 2.62Å
229I92Very high91.1Very high36 Ų3666 Ų6619%0.18532%0.324CS..Hα-helixtrans-59.9-45169.2-72.7170.5000110.5L182 I211 L225 Q226 E231 A232 V233L182-I229 HydrophobicContact CD2-CB 4.42Å; L182-I229 HydrophobicContact CD2-CG1 3.53Å; I211-I229 HydrophobicContact CD1-CG2 3.47Å; I211-I229 VanDerWaalsContact CD1-CG2 3.47Å; L225-I229 HydrophobicContact CD2-CD1 3.39Å; L225-I229 HydrophobicContact CD2-CG1 4.41Å; L225-I229 HydrophobicContact CG-CD1 3.93Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.34Å; Q226-I229 PolarHBondContact O-N 2.98Å; I229-E231 VanDerWaalsContact C-N 3.3Å; I229-E231 PolarHBondContact O-N 2.87Å; I229-A232 WeakPolarHBondContact O-CB 3.27Å; I229-A232 PolarHBondContact O-N 3.2Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 WeakPolarHBondContact O-CB 3.35Å; I229-V233 VanDerWaalsContact O-CG2 3.3Å; I229-V233 WeakPolarHBondContact O-CG2 3.37Å; I229-V233 PolarHBondContact O-N 2.92Å
230T91.3Very high91.4Very high66 Ų6657 Ų5741%0.40529%0.291SS..Hα-helixtrans-60.8-41.9-178.9-55.60000111.3Q226 P227 L228 K234Q226-T230 PolarHBondContact O-N 2.96Å; Q226-T230 PolarHBondContact O-OG1 3.36Å; P227-T230 WeakPolarHBondContact O-CB 3.25Å; P227-T230 PolarHBondContact O-N 2.67Å; L228-T230 VanDerWaalsContact C-N 3.32Å; T230-K234 WeakPolarHBondContact O-CG 3.29Å; T230-K234 PolarHBondContact O-N 3.11Å
231E92.1Very high91.6Very high62 Ų6263.5 Ų63.529%0.2932%0.319SS..Hα-helixtrans-68.8-42.1174-67.5-52.6131.300112.2V166 P227 L228 I229 V233 K234 V235V166-E231 HydrophobicContact CG1-CB 3.98Å; V166-E231 HydrophobicContact CG1-CG 4.35Å; P227-E231 WeakPolarHBondContact O-CG 3.45Å; P227-E231 PolarHBondContact O-N 2.7Å; L228-E231 PolarHBondContact O-N 3.35Å; I229-E231 VanDerWaalsContact C-N 3.3Å; I229-E231 PolarHBondContact O-N 2.87Å; E231-V233 VanDerWaalsContact C-N 3.27Å; E231-V233 PolarHBondContact O-N 3.03Å; E231-K234 WeakPolarHBondContact O-CB 3.29Å; E231-K234 PolarHBondContact O-N 2.94Å; E231-K234 VanDerWaalsContact O-N 3.09Å; E231-K234 IonicContact OE1-NZ 3.23Å; E231-K234 PolarHBondContact OE1-NZ 2.84Å; E231-K234 IonicContact OE2-NZ 2.64Å; E231-V235 WeakPolarHBondContact O-CG2 3.41Å; E231-V235 PolarHBondContact O-N 3.49Å
232A93.5Very high91.9Very high0 Ų065 Ų650%032%0.322CS..Hα-helixtrans-56.8-42.9176.400000112.3V159 L182 V184 L228 I229 V235 A236V159-A232 HydrophobicContact CB-CB 4.44Å; V159-A232 HydrophobicContact CG1-CB 3.9Å; V159-A232 HydrophobicContact CG2-CB 3.64Å; L182-A232 HydrophobicContact CD2-CB 4.5Å; V184-A232 HydrophobicContact CB-CB 3.94Å; V184-A232 HydrophobicContact CG2-CB 3.49Å; V184-A232 VanDerWaalsContact CG2-CB 3.49Å; L228-A232 WeakPolarHBondContact O-CB 3.21Å; L228-A232 PolarHBondContact O-N 2.62Å; I229-A232 WeakPolarHBondContact O-CB 3.27Å; I229-A232 PolarHBondContact O-N 3.2Å; A232-V235 PolarHBondContact O-N 3.3Å; A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.17Å
233V92.7Very high92.1Very high16 Ų1659.3 Ų59.310%0.09729%0.287CS..Hα-helixtrans-61.2-44.1175.81630000111.6V184 P209 I211 I229 E231 V235 A236 Q237V184-V233 HydrophobicContact CG1-CG2 4.42Å; P209-V233 HydrophobicContact CB-CG1 4.15Å; P209-V233 HydrophobicContact CG-CB 4.4Å; P209-V233 HydrophobicContact CG-CG1 3.15Å; P209-V233 HydrophobicContact CG-CG2 4.4Å; I211-V233 HydrophobicContact CD1-CG2 4.25Å; I211-V233 HydrophobicContact CG1-CG2 4.35Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 WeakPolarHBondContact O-CB 3.35Å; I229-V233 VanDerWaalsContact O-CG2 3.3Å; I229-V233 WeakPolarHBondContact O-CG2 3.37Å; I229-V233 PolarHBondContact O-N 2.92Å; E231-V233 VanDerWaalsContact C-N 3.27Å; E231-V233 PolarHBondContact O-N 3.03Å; V233-V235 VanDerWaalsContact C-N 3.3Å; V233-V235 PolarHBondContact O-N 2.73Å; V233-A236 PolarHBondContact O-N 2.93Å; V233-Q237 WeakPolarHBondContact O-CG 3.18Å; V233-Q237 PolarHBondContact O-N 3.28Å
234K92.3Very high92.1Very high97 Ų9752.8 Ų52.842%0.42226%0.26SS..Hα-helixtrans-62.3-39.4176.5-69.9170.7-174.2170.90111.9T230 E231 Q237 T238T230-K234 WeakPolarHBondContact O-CG 3.29Å; T230-K234 PolarHBondContact O-N 3.11Å; E231-K234 WeakPolarHBondContact O-CB 3.29Å; E231-K234 PolarHBondContact O-N 2.94Å; E231-K234 VanDerWaalsContact O-N 3.09Å; E231-K234 IonicContact OE1-NZ 3.23Å; E231-K234 PolarHBondContact OE1-NZ 2.84Å; E231-K234 IonicContact OE2-NZ 2.64Å; K234-Q237 PolarHBondContact O-N 3.21Å; K234-T238 PolarHBondContact O-N 2.85Å; K234-T238 VanDerWaalsContact O-N 3.1Å; K234-T238 PolarHBondContact O-OG1 2.86Å
235V93.7Very high92.2Very high10 Ų1055 Ų556%0.06127%0.27CS..Hα-helixtrans-65.1-45.8177.1177.90000110.4I19 A157 V159 A168 E231 A232 V233 Q237 T238 L239I19-V235 HydrophobicContact CG2-CG1 3.59Å; A157-V235 HydrophobicContact CB-CB 3.94Å; A157-V235 HydrophobicContact CB-CG1 3.67Å; V159-V235 HydrophobicContact CG1-CG2 4.12Å; A168-V235 HydrophobicContact CB-CB 4.45Å; A168-V235 HydrophobicContact CB-CG1 4.09Å; A168-V235 HydrophobicContact CB-CG2 3.42Å; A168-V235 VanDerWaalsContact CB-CG2 3.42Å; E231-V235 WeakPolarHBondContact O-CG2 3.41Å; E231-V235 PolarHBondContact O-N 3.49Å; A232-V235 PolarHBondContact O-N 3.3Å; V233-V235 VanDerWaalsContact C-N 3.3Å; V233-V235 PolarHBondContact O-N 2.73Å; V235-Q237 PolarHBondContact O-N 3.33Å; V235-T238 WeakPolarHBondContact O-CA 3.3Å; V235-T238 WeakPolarHBondContact O-CB 3.37Å; V235-T238 PolarHBondContact O-N 3.12Å; V235-L239 PolarHBondContact O-N 2.82Å
236A93.5Very high92.4Very high0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-63.6-39.9177.600000112.3S155 A157 C186 A232 V233 T238 L239 Q240S155-A236 PolarHBondContact OG-O 3.19Å; S155-A236 VanDerWaalsContact OG-O 3.13Å; A157-A236 HydrophobicContact CB-CB 3.74Å; C186-A236 WeakPolarHBondContact SG-CB 3.39Å; A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.17Å; V233-A236 PolarHBondContact O-N 2.93Å; A236-T238 PolarHBondContact O-N 3.26Å; A236-L239 PolarHBondContact O-N 2.88Å; A236-Q240 WeakPolarHBondContact O-CB 3.42Å; A236-Q240 PolarHBondContact O-N 2.84Å
237Q91.7Very high92.5Very high69 Ų6949 Ų4932%0.32224%0.238SC..Hα-helixtrans-60.6-31.8171.7-73.9176.7-9.900112.8V233 K234 V235 K241V233-Q237 WeakPolarHBondContact O-CG 3.18Å; V233-Q237 PolarHBondContact O-N 3.28Å; K234-Q237 PolarHBondContact O-N 3.21Å; V235-Q237 PolarHBondContact O-N 3.33Å; Q237-K241 WeakPolarHBondContact O-CG 3.3Å; Q237-K241 PolarHBondContact O-N 3.38Å
238T93.2Very high92.6Very high63 Ų6354 Ų5439%0.38725%0.248SC..Hα-helixtrans-72.1-46.8176.2-540000110.7I19 K234 V235 A236 Q240 K241 E242I19-T238 HydrophobicContact CD1-CG2 4.14Å; K234-T238 PolarHBondContact O-N 2.85Å; K234-T238 VanDerWaalsContact O-N 3.1Å; K234-T238 PolarHBondContact O-OG1 2.86Å; V235-T238 WeakPolarHBondContact O-CA 3.3Å; V235-T238 WeakPolarHBondContact O-CB 3.37Å; V235-T238 PolarHBondContact O-N 3.12Å; A236-T238 PolarHBondContact O-N 3.26Å; T238-Q240 VanDerWaalsContact C-N 3.27Å; T238-Q240 PolarHBondContact O-N 2.79Å; T238-K241 WeakPolarHBondContact O-CB 3.37Å; T238-K241 PolarHBondContact O-N 3.26Å; T238-K241 VanDerWaalsContact O-N 3.16Å; T238-E242 PolarHBondContact O-N 3.41Å
239L93.9Very high92.5Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-58.9-40.1174.4-75172.9000112.1I19 V22 A156 A157 V235 A236 K241 E242 F243I19-L239 HydrophobicContact CD1-CD2 3.74Å; I19-L239 HydrophobicContact CD1-CG 4.37Å; V22-L239 HydrophobicContact CG2-CD2 3.71Å; A156-L239 VanDerWaalsContact O-CD1 3.31Å; A156-L239 WeakPolarHBondContact O-CD1 3.45Å; A157-L239 HydrophobicContact CB-CD1 4.1Å; V235-L239 PolarHBondContact O-N 2.82Å; A236-L239 PolarHBondContact O-N 2.88Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 3.45Å; L239-E242 WeakPolarHBondContact O-CB 3.19Å; L239-E242 PolarHBondContact O-N 3.49Å; L239-E242 VanDerWaalsContact O-N 3.12Å; L239-F243 HydrophobicContact CB-CE2 3.82Å; L239-F243 HydrophobicContact CB-CZ 4.05Å; L239-F243 HydrophobicContact CD2-CZ 4.25Å; L239-F243 VanDerWaalsContact O-CD2 3.25Å; L239-F243 WeakPolarHBondContact O-CD2 3.18Å; L239-F243 VanDerWaalsContact O-CG 3.27Å; L239-F243 WeakPolarHBondContact O-CG 3.33Å; L239-F243 PolarHBondContact O-N 2.72Å
240Q92Very high92.4Very high24 Ų2457.5 Ų57.511%0.11227%0.27CS..Hα-helixtrans-61-37177.3-17417335.100113.4L153 A236 T238 E242 F243 S244L153-Q240 PolarHBondContact O-NE2 3.38Å; A236-Q240 WeakPolarHBondContact O-CB 3.42Å; A236-Q240 PolarHBondContact O-N 2.84Å; T238-Q240 VanDerWaalsContact C-N 3.27Å; T238-Q240 PolarHBondContact O-N 2.79Å; Q240-E242 VanDerWaalsContact C-N 3.34Å; Q240-F243 PolarHBondContact O-N 3.28Å; Q240-S244 WeakPolarHBondContact O-CB 3.17Å; Q240-S244 PolarHBondContact O-N 2.91Å; Q240-S244 PolarHBondContact O-OG 3.15Å
241K91.9Very high92.2Very high151 Ų15158.5 Ų58.566%0.65728%0.277SS*.Hα-helixtrans-64.6-41.3174.9-71.2172.5-176.2176.50111Q237 T238 L239 S244 Y245Q237-K241 WeakPolarHBondContact O-CG 3.3Å; Q237-K241 PolarHBondContact O-N 3.38Å; T238-K241 WeakPolarHBondContact O-CB 3.37Å; T238-K241 PolarHBondContact O-N 3.26Å; T238-K241 VanDerWaalsContact O-N 3.16Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 3.45Å; K241-S244 PolarHBondContact O-N 2.97Å; K241-Y245 PolarHBondContact O-N 3.36Å
242E93.6Very high91.9Very high76 Ų7664.4 Ų64.436%0.35530%0.296SS..Hα-helixtrans-60.4-49.2173.9-65.5-62.3146.100110.9I19 T238 L239 Q240 S244 Y245 W246I19-E242 HydrophobicContact CD1-CG 4.44Å; T238-E242 PolarHBondContact O-N 3.41Å; L239-E242 WeakPolarHBondContact O-CB 3.19Å; L239-E242 PolarHBondContact O-N 3.49Å; L239-E242 VanDerWaalsContact O-N 3.12Å; Q240-E242 VanDerWaalsContact C-N 3.34Å; E242-S244 VanDerWaalsContact C-N 3.33Å; E242-S244 PolarHBondContact O-N 2.98Å; E242-Y245 WeakPolarHBondContact O-CB 3.34Å; E242-Y245 PolarHBondContact O-N 3.35Å; E242-Y245 VanDerWaalsContact O-N 3.07Å; E242-W246 PolarHBondContact O-N 3.13Å
243F93Very high91.3Very high7 Ų767 Ų673%0.03131%0.314CS..Hα-helixtrans-61.4-40.9178.4-59.7-30.4000112.6V22 L37 N137 L141 L239 Q240 Y245 W246 L247V22-F243 HydrophobicContact CG1-CD1 4.39Å; V22-F243 HydrophobicContact CG1-CE1 3.81Å; L37-F243 HydrophobicContact CD1-CE1 4.11Å; L37-F243 HydrophobicContact CD2-CE1 4.43Å; N137-F243 HydrophobicContact CB-CE1 4.35Å; N137-F243 HydrophobicContact CB-CE2 3.65Å; N137-F243 HydrophobicContact CB-CZ 3.48Å; N137-F243 VanDerWaalsContact CB-CZ 3.48Å; N137-F243 VanDerWaalsContact CG-CZ 3.44Å; N137-F243 WeakPolarHBondContact OD1-CE2 3.4Å; L141-F243 HydrophobicContact CD1-CD1 3.87Å; L141-F243 HydrophobicContact CD1-CE1 4.24Å; L141-F243 HydrophobicContact CD1-CG 4.4Å; L141-F243 HydrophobicContact CD2-CB 3.94Å; L141-F243 HydrophobicContact CD2-CD1 4.42Å; L141-F243 HydrophobicContact CD2-CG 4.31Å; L141-F243 HydrophobicContact CG-CD1 4.48Å; L239-F243 HydrophobicContact CB-CE2 3.82Å; L239-F243 HydrophobicContact CB-CZ 4.05Å; L239-F243 HydrophobicContact CD2-CZ 4.25Å; L239-F243 VanDerWaalsContact O-CD2 3.25Å; L239-F243 WeakPolarHBondContact O-CD2 3.18Å; L239-F243 VanDerWaalsContact O-CG 3.27Å; L239-F243 WeakPolarHBondContact O-CG 3.33Å; L239-F243 PolarHBondContact O-N 2.72Å; Q240-F243 PolarHBondContact O-N 3.28Å; F243-Y245 VanDerWaalsContact C-N 3.27Å; F243-Y245 PolarHBondContact O-N 3.44Å; F243-W246 PolarHBondContact O-N 3.1Å; F243-L247 WeakPolarHBondContact O-CB 3.47Å; F243-L247 WeakPolarHBondContact O-CG 3.48Å; F243-L247 PolarHBondContact O-N 3.07Å
244S91.6Very high90.2Very high34 Ų3467.5 Ų67.524%0.23832%0.323CS..Hα-helixtrans-61.3-37.7174.9-60.10000111.8Q240 K241 E242 R248Q240-S244 WeakPolarHBondContact O-CB 3.17Å; Q240-S244 PolarHBondContact O-N 2.91Å; Q240-S244 PolarHBondContact O-OG 3.15Å; K241-S244 PolarHBondContact O-N 2.97Å; E242-S244 VanDerWaalsContact C-N 3.33Å; E242-S244 PolarHBondContact O-N 2.98Å; S244-R248 WeakPolarHBondContact O-CB 3.43Å; S244-R248 WeakPolarHBondContact O-CG 3.05Å; S244-R248 PolarHBondContact O-N 3.33Å; S244-R248 VanDerWaalsContact O-N 3.11Å
245Y93.4Very high88.5Confident165 Ų16570.5 Ų70.565%0.64734%0.336SS*.Hα-helixtrans-64.7-48.1174.9173.3-95.1000111.5K241 E242 F243 L247 R248 G249K241-Y245 PolarHBondContact O-N 3.36Å; E242-Y245 WeakPolarHBondContact O-CB 3.34Å; E242-Y245 PolarHBondContact O-N 3.35Å; E242-Y245 VanDerWaalsContact O-N 3.07Å; F243-Y245 VanDerWaalsContact C-N 3.27Å; F243-Y245 PolarHBondContact O-N 3.44Å; Y245-L247 PolarHBondContact O-N 3.47Å; Y245-R248 PolarHBondContact O-N 3.41Å; Y245-G249 PolarHBondContact O-N 3.22Å
246W93.4Very high86.6Confident64 Ų6476.9 Ų76.924%0.24237%0.368CS..Hα-helixtrans-61-45178.1-75.1110.8000112.8D23 C24 F26 E242 F243 R248 G249 R250D23-W246 WeakPolarHBondContact OD1-CH2 3.49Å; C24-W246 HydrophobicContact CB-CB 4.07Å; C24-W246 HydrophobicContact CB-CD2 3.75Å; C24-W246 HydrophobicContact CB-CE3 4.13Å; C24-W246 HydrophobicContact CB-CG 3.7Å; C24-W246 VanDerWaalsContact O-CZ3 3.32Å; C24-W246 WeakPolarHBondContact O-CZ3 3.19Å; F26-W246 HydrophobicContact CE2-CB 4.35Å; E242-W246 PolarHBondContact O-N 3.13Å; F243-W246 PolarHBondContact O-N 3.1Å; W246-R248 PolarHBondContact O-N 2.78Å; W246-G249 WeakPolarHBondContact O-CA 2.86Å; W246-G249 PolarHBondContact O-N 2.74Å; W246-G249 VanDerWaalsContact O-N 3.13Å; W246-R250 PolarHBondContact O-N 3.07Å
247L91.5Very high84.6Confident20 Ų2082.6 Ų82.611%0.10540%0.403CS..Hα-helixtrans-62.7-42.3177.2-73.2169.3000112.2F26 L141 T144 L153 F243 Y245 G249 R250 V251F26-L247 HydrophobicContact CE1-CD2 3.91Å; F26-L247 HydrophobicContact CZ-CD2 3.84Å; F26-L247 HydrophobicContact CZ-CG 4.45Å; L141-L247 HydrophobicContact CD2-CD1 3.96Å; L141-L247 HydrophobicContact CD2-CD2 3.92Å; L141-L247 HydrophobicContact CD2-CG 3.73Å; T144-L247 HydrophobicContact CG2-CD1 3.98Å; T144-L247 HydrophobicContact CG2-CD2 3.78Å; L153-L247 HydrophobicContact CD1-CD1 3.76Å; L153-L247 HydrophobicContact CD2-CD1 3.79Å; L153-L247 HydrophobicContact CG-CD1 4.46Å; F243-L247 WeakPolarHBondContact O-CB 3.47Å; F243-L247 WeakPolarHBondContact O-CG 3.48Å; F243-L247 PolarHBondContact O-N 3.07Å; Y245-L247 PolarHBondContact O-N 3.47Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 2.87Å; L247-R250 WeakPolarHBondContact O-CB 3.22Å; L247-R250 PolarHBondContact O-N 3.22Å; L247-V251 WeakPolarHBondContact O-CG2 3.16Å; L247-V251 PolarHBondContact O-N 3.2Å
248R91.6Very high82.1Confident172 Ų17293 Ų9365%0.64944%0.439SS*.Hα-helixtrans-61.4-37.5174.1-72.8173.7-167.9-161.34.2111.6S244 Y245 W246 R252S244-R248 WeakPolarHBondContact O-CB 3.43Å; S244-R248 WeakPolarHBondContact O-CG 3.05Å; S244-R248 PolarHBondContact O-N 3.33Å; S244-R248 VanDerWaalsContact O-N 3.11Å; Y245-R248 PolarHBondContact O-N 3.41Å; W246-R248 PolarHBondContact O-N 2.78Å; R248-R252 VanDerWaalsContact O-CG 3.29Å; R248-R252 WeakPolarHBondContact O-CG 3.42Å; R248-R252 PolarHBondContact O-N 2.94Å; R248-R252 VanDerWaalsContact O-N 3.09Å
249G90.4Very high81.6Confident37 Ų3794.5 Ų94.538%0.38144%0.442SS..Hα-helixtrans-60.4-47.3172.600000112.2Y245 W246 L247 R252 S253Y245-G249 PolarHBondContact O-N 3.22Å; W246-G249 WeakPolarHBondContact O-CA 2.86Å; W246-G249 PolarHBondContact O-N 2.74Å; W246-G249 VanDerWaalsContact O-N 3.13Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 2.87Å; G249-R252 PolarHBondContact O-N 2.93Å; G249-S253 PolarHBondContact O-N 3.18Å; G249-S253 PolarHBondContact O-OG 3.38Å
250R90Very high80.9Confident74 Ų7499.4 Ų99.428%0.27947%0.465SS..Hα-helixtrans-58.6-49.4176.617855.9165.4-166.1-9.1112.1F26 G27 D145 W246 L247 R252 S253 G254F26-R250 HydrophobicContact CB-CG 4.32Å; F26-R250 HydrophobicContact CD1-CG 4.06Å; F26-R250 HydrophobicContact CD2-CB 3.72Å; F26-R250 HydrophobicContact CD2-CG 3.92Å; F26-R250 HydrophobicContact CE1-CB 4.47Å; F26-R250 HydrophobicContact CE1-CG 4.37Å; F26-R250 HydrophobicContact CE2-CB 3.66Å; F26-R250 HydrophobicContact CE2-CG 4.24Å; F26-R250 HydrophobicContact CG-CB 4.16Å; F26-R250 HydrophobicContact CG-CG 3.83Å; F26-R250 HydrophobicContact CZ-CB 4.06Å; F26-R250 HydrophobicContact CZ-CG 4.45Å; G27-R250 PolarHBondContact O-NH2 3.3Å; D145-R250 IonicContact OD1-CZ 3.49Å; D145-R250 IonicContact OD1-NE 2.87Å; D145-R250 PolarHBondContact OD1-NE 3.14Å; D145-R250 IonicContact OD1-NH2 3.24Å; D145-R250 PolarHBondContact OD1-NH2 3.04Å; D145-R250 IonicContact OD2-NH2 3.28Å; D145-R250 PolarHBondContact OD2-NH2 3.33Å; W246-R250 PolarHBondContact O-N 3.07Å; L247-R250 WeakPolarHBondContact O-CB 3.22Å; L247-R250 PolarHBondContact O-N 3.22Å; R250-R252 VanDerWaalsContact C-N 3.31Å; R250-R252 PolarHBondContact O-N 2.84Å; R250-S253 WeakPolarHBondContact CA-OG 3.27Å; R250-S253 PolarHBondContact O-N 3.16Å; R250-S253 VanDerWaalsContact O-N 3.12Å; R250-S253 PolarHBondContact O-OG 2.95Å; R250-G254 PolarHBondContact O-N 3.08Å
251V87.4Confident80.3Confident88 Ų88103.6 Ų103.653%0.53349%0.485SS..Hα-helixtrans-56.6-46.7177.7171.90000110.7L247 S253 G254 F255L247-V251 WeakPolarHBondContact O-CG2 3.16Å; L247-V251 PolarHBondContact O-N 3.2Å; V251-S253 PolarHBondContact O-N 3.28Å; V251-G254 PolarHBondContact O-N 3.37Å; V251-F255 HydrophobicContact CG1-CD2 4.06Å; V251-F255 HydrophobicContact CG1-CE2 3.57Å; V251-F255 WeakPolarHBondContact O-CD2 3.37Å; V251-F255 PolarHBondContact O-N 3.22Å
252R86.3Confident79.6Confident186 Ų186100.8 Ų100.870%0.70248%0.475SS*.Hα-helixtrans-61.1-41.6177.1-72.6172.3179.8-174.5-0.9112.7R248 G249 R250R248-R252 VanDerWaalsContact O-CG 3.29Å; R248-R252 WeakPolarHBondContact O-CG 3.42Å; R248-R252 PolarHBondContact O-N 2.94Å; R248-R252 VanDerWaalsContact O-N 3.09Å; G249-R252 PolarHBondContact O-N 2.93Å; R250-R252 VanDerWaalsContact C-N 3.31Å; R250-R252 PolarHBondContact O-N 2.84Å
253S80.9Confident78.8Confident54 Ų54102.4 Ų102.438%0.37848%0.482SS..Hα-helixtrans-68.1-36.3177.766.70000112.8G249 R250 V251 F255 I256 T257G249-S253 PolarHBondContact O-N 3.18Å; G249-S253 PolarHBondContact O-OG 3.38Å; R250-S253 WeakPolarHBondContact CA-OG 3.27Å; R250-S253 PolarHBondContact O-N 3.16Å; R250-S253 VanDerWaalsContact O-N 3.12Å; R250-S253 PolarHBondContact O-OG 2.95Å; V251-S253 PolarHBondContact O-N 3.28Å; S253-F255 VanDerWaalsContact C-N 3.31Å; S253-F255 PolarHBondContact O-N 3.29Å; S253-I256 WeakPolarHBondContact O-CB 3.15Å; S253-I256 PolarHBondContact O-N 3.04Å; S253-T257 PolarHBondContact O-OG1 2.94Å
254G68.1Low77.8Confident27 Ų27108.7 Ų108.728%0.27851%0.512SS..Hα-helixtrans-64.5-33.218000000113.4R250 V251 I256 T257 R258R250-G254 PolarHBondContact O-N 3.08Å; V251-G254 PolarHBondContact O-N 3.37Å; G254-I256 PolarHBondContact O-N 3.05Å; G254-T257 PolarHBondContact O-N 2.95Å; G254-T257 PolarHBondContact O-OG1 3.43Å; G254-T257 VanDerWaalsContact O-OG1 3.09Å; G254-R258 PolarHBondContact O-N 2.91Å
255F56.9Low76.8Confident159 Ų159114.1 Ų114.170%0.69753%0.532SS*.THydrogen-bonded Turntrans-68.3-19.5173.5-77.7-70000113.9V251 S253V251-F255 HydrophobicContact CG1-CD2 4.06Å; V251-F255 HydrophobicContact CG1-CE2 3.57Å; V251-F255 WeakPolarHBondContact O-CD2 3.37Å; V251-F255 PolarHBondContact O-N 3.22Å; S253-F255 VanDerWaalsContact C-N 3.31Å; S253-F255 PolarHBondContact O-N 3.29Å
256I55.1Low75.6Confident145 Ų145110.2 Ų110.274%0.74452%0.523SS*.THydrogen-bonded Turntrans-85-22.8179.1-61.6169000110.6S253 G254S253-I256 WeakPolarHBondContact O-CB 3.15Å; S253-I256 PolarHBondContact O-N 3.04Å; G254-I256 PolarHBondContact O-N 3.05Å
257T51.5Low74.1Confident119 Ų119114 Ų11473%0.7355%0.547SS*.  trans-100.90.4-17549.50000114.9S253 G254S253-T257 PolarHBondContact O-OG1 2.94Å; G254-T257 PolarHBondContact O-N 2.95Å; G254-T257 PolarHBondContact O-OG1 3.43Å; G254-T257 VanDerWaalsContact O-OG1 3.09Å
258R39.1Very low72.5Confident287 Ų287122.5 Ų122.5100%1.08359%0.587SS**  trans-1130174.8-74.1-172.3177.9-174.40.9110.3G254G254-R258 PolarHBondContact O-N 2.91Å

Retrieved 258 of 258 residues in 49.3 ms (Link to these results)

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