A0A3Q0KE75_SCHMA Loading...

Phosphatidylcholine transfer protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KE75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 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
1M50.7Low82.7Confident161 Ų16160.1 Ų60.179%0.79331%0.309SS*.  0108.10-173.8179.5-10400106.7F23M1-F23 HydrophobicContact CB-CE2 4.35Å; M1-F23 HydrophobicContact SD-CD2 4.43Å
2E66.9Low83.4Confident88 Ų8856.9 Ų56.941%0.41130%0.295SS..  trans-73.9126.7168.3-173.4171.7-16000106.8F4 K5 R19E2-F4 WeakPolarHBondContact CG-O 3.44Å; E2-K5 WeakPolarHBondContact OE1-CA 3.4Å; E2-R19 PolarHBondContact O-NH2 2.82Å
3I76.6Confident84Confident10 Ų1063.4 Ų63.45%0.05132%0.32CS..SBendtrans-76.7-46.6-179.6-52.8175.6000109R19 F20 F23 I164 L182I3-R19 HydrophobicContact CG2-CG 4.26Å; I3-R19 VanDerWaalsContact O-CZ 3.23Å; I3-R19 PolarHBondContact O-NH1 3.16Å; I3-R19 VanDerWaalsContact O-NH1 3.12Å; I3-F20 HydrophobicContact CD1-CD2 4.08Å; I3-F23 HydrophobicContact CD1-CB 3.95Å; I3-F23 HydrophobicContact CD1-CD1 3.38Å; I3-F23 HydrophobicContact CD1-CD2 4.2Å; I3-F23 HydrophobicContact CD1-CE1 3.9Å; I3-F23 HydrophobicContact CD1-CG 3.56Å; I3-F23 HydrophobicContact CD1-CZ 4.47Å; I3-F23 HydrophobicContact CG1-CB 4.3Å; I3-F23 HydrophobicContact CG1-CD1 4.11Å; I3-F23 HydrophobicContact CG1-CD2 4.01Å; I3-F23 HydrophobicContact CG1-CE1 4.48Å; I3-F23 HydrophobicContact CG1-CE2 4.38Å; I3-F23 HydrophobicContact CG1-CG 3.85Å; I3-I164 HydrophobicContact CD1-CG1 4.26Å; I3-L182 HydrophobicContact CD1-CD2 4.11Å
4F83.2Confident84.2Confident13 Ų1366.7 Ų66.76%0.05734%0.339CS..SBendtrans-136.2146178.8-56.2-69.3000109.1E2 D16 F142 I164E2-F4 WeakPolarHBondContact CG-O 3.44Å; F4-D16 HydrophobicContact CE1-CB 3.66Å; F4-D16 HydrophobicContact CZ-CB 3.92Å; F4-F142 HydrophobicContact CE1-CE2 4.49Å; F4-F142 HydrophobicContact CE1-CZ 4.41Å; F4-F142 AromaticContact CE2-CD2 3.96Å; F4-F142 HydrophobicContact CE2-CD2 3.96Å; F4-F142 AromaticContact CE2-CE2 3.93Å; F4-F142 HydrophobicContact CE2-CE2 3.93Å; F4-F142 HydrophobicContact CE2-CG 4.32Å; F4-F142 HydrophobicContact CE2-CZ 4.23Å; F4-F142 HydrophobicContact CZ-CD2 4.26Å; F4-F142 HydrophobicContact CZ-CE1 4.1Å; F4-F142 AromaticContact CZ-CE2 3.79Å; F4-F142 HydrophobicContact CZ-CE2 3.79Å; F4-F142 AromaticContact CZ-CZ 3.7Å; F4-F142 HydrophobicContact CZ-CZ 3.7Å; F4-I164 HydrophobicContact CD2-CD1 3.89Å; F4-I164 HydrophobicContact CE2-CD1 3.91Å
5K87.3Confident84.7Confident143 Ų14369.5 Ų69.562%0.62236%0.355SS*.  trans-73.5133.1173.8-178177.9177.1-1790109.8E2 G7 E8E2-K5 WeakPolarHBondContact OE1-CA 3.4Å; K5-G7 PolarHBondContact O-N 3.26Å; K5-E8 HydrophobicContact CB-CB 4.14Å; K5-E8 PolarHBondContact N-OE2 3.43Å; K5-E8 WeakPolarHBondContact O-CB 3.35Å; K5-E8 PolarHBondContact O-N 3.09Å
6L88.7Confident85.3Confident38 Ų3866.8 Ų66.820%0.19934%0.341CS..THydrogen-bonded Turntrans-57.1132.2174.7-175.168.6000110.5E8 F147 L161 F163L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 3.44Å; L6-F147 HydrophobicContact CD2-CZ 4.19Å; L6-F147 HydrophobicContact CG-CZ 4.03Å; L6-L161 HydrophobicContact CD1-CD2 4.48Å; L6-L161 HydrophobicContact CD2-CD1 4.21Å; L6-L161 HydrophobicContact CD2-CD2 4.39Å; L6-F163 HydrophobicContact CD2-CD1 4.47Å; L6-F163 HydrophobicContact CD2-CE1 4.14Å
7G91.2Very high85.8Confident11 Ų1162.9 Ų62.911%0.11332%0.321CS..THydrogen-bonded Turntrans85.2-7.9-176.700000115.1K5 V9 S145K5-G7 PolarHBondContact O-N 3.26Å; G7-V9 PolarHBondContact O-N 2.99Å; G7-S145 PolarHBondContact N-O 2.96Å; G7-S145 VanDerWaalsContact N-O 3.14Å
8E91.3Very high86.3Confident95 Ų9563.9 Ų63.944%0.44433%0.325SS..  trans-70121.4-179.5-174.8179.3-177.600112K5 L6 R144K5-E8 HydrophobicContact CB-CB 4.14Å; K5-E8 PolarHBondContact N-OE2 3.43Å; K5-E8 WeakPolarHBondContact O-CB 3.35Å; K5-E8 PolarHBondContact O-N 3.09Å; L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 3.44Å; E8-R144 PolarHBondContact O-NE 3.26Å; E8-R144 PolarHBondContact O-NH2 2.85Å
9V92.8Very high86.6Confident25 Ų2565.5 Ų65.515%0.15233%0.326CS..  trans-115.5129.5177.5177.90000109.8G7 I94 I100 L129 V146 L245 I250G7-V9 PolarHBondContact O-N 2.99Å; V9-I94 HydrophobicContact CG1-CD1 3.96Å; V9-I100 HydrophobicContact CG1-CD1 4.19Å; V9-I100 HydrophobicContact CG2-CD1 4.3Å; V9-L129 HydrophobicContact CG1-CD1 4.38Å; V9-V146 HydrophobicContact CG2-CB 3.75Å; V9-V146 HydrophobicContact CG2-CG1 3.65Å; V9-V146 HydrophobicContact CG2-CG2 4.41Å; V9-L245 HydrophobicContact CG1-CD1 4.11Å; V9-L245 HydrophobicContact CG1-CD2 3.79Å; V9-I250 HydrophobicContact CB-CG1 4.45Å; V9-I250 HydrophobicContact CB-CG2 4.04Å; V9-I250 HydrophobicContact CG1-CD1 4.37Å; V9-I250 HydrophobicContact CG1-CG1 4.23Å; V9-I250 HydrophobicContact CG2-CD1 4.21Å; V9-I250 HydrophobicContact CG2-CG1 4.33Å; V9-I250 HydrophobicContact CG2-CG2 3.6Å
10G88.9Confident87.1Confident15 Ų1562.3 Ų62.316%0.15531%0.31CS..  trans-176.8164.717500000110.4
11P91.7Very high87.4Confident62 Ų6261.5 Ų61.540%0.40331%0.305SS..PPolyproline II helixtrans-60.2139.6171.127.9-34.2000109.3K13 I94 T95P11-K13 PolarHBondContact O-N 3.2Å; P11-I94 HydrophobicContact CB-CG2 4.14Å; P11-T95 HydrophobicContact CB-CG2 3.76Å
12P90.9Very high89.5Confident22 Ų2258.9 Ų58.914%0.14329%0.294CS..PPolyproline II helixtrans-66.2136.6177.231.1-36.1000109.4F17 C98 A131P12-F17 HydrophobicContact CB-CE2 3.71Å; P12-F17 HydrophobicContact CB-CZ 3.78Å; P12-F17 HydrophobicContact CG-CE2 4.25Å; P12-F17 HydrophobicContact CG-CZ 4.18Å; P12-C98 HydrophobicContact CG-CB 3.82Å; P12-A131 HydrophobicContact CB-CB 3.98Å; P12-A131 HydrophobicContact CG-CB 4.15Å
13K91.1Very high90.8Very high141 Ų14155.2 Ų55.261%0.61328%0.277SS*.PPolyproline II helixtrans-96.4153.7172.8-59.6171.1-173.81710109.1P11 D15 D16 F17P11-K13 PolarHBondContact O-N 3.2Å; K13-D15 PolarHBondContact O-N 3.28Å; K13-D16 PolarHBondContact N-OD2 3.1Å; K13-D16 WeakPolarHBondContact O-CB 3.35Å; K13-D16 PolarHBondContact O-N 2.6Å; K13-F17 WeakPolarHBondContact O-CD2 3.36Å
14D87.3Confident91.7Very high110 Ų11054.8 Ų54.859%0.58827%0.274SS*.Hα-helixtrans-56.9-37.1176-69.1-22.7000112.3D16 F17 H18D14-D16 PolarHBondContact O-N 2.92Å; D14-F17 PolarHBondContact O-N 3.02Å; D14-H18 PolarHBondContact O-CD2 2.79Å; D14-H18 PolarHBondContact O-N 3.21Å
15D92Very high92.2Very high109 Ų10958.2 Ų58.258%0.58329%0.289SS*.Hα-helixtrans-60.5-30.4175.1-170.359.2000112.9K13 F17 H18 R19K13-D15 PolarHBondContact O-N 3.28Å; D15-F17 VanDerWaalsContact C-N 3.35Å; D15-F17 PolarHBondContact O-N 3.13Å; D15-H18 PolarHBondContact O-N 3.12Å; D15-R19 WeakPolarHBondContact O-CB 3.39Å; D15-R19 PolarHBondContact O-N 3.18Å
16D93.7Very high92.5Very high25 Ų2553.5 Ų53.513%0.13427%0.271CS..Hα-helixtrans-63.8-41.8177.9-65.6-32.5000111.3F4 K13 D14 F20 F142F4-D16 HydrophobicContact CE1-CB 3.66Å; F4-D16 HydrophobicContact CZ-CB 3.92Å; K13-D16 PolarHBondContact N-OD2 3.1Å; K13-D16 WeakPolarHBondContact O-CB 3.35Å; K13-D16 PolarHBondContact O-N 2.6Å; D14-D16 PolarHBondContact O-N 2.92Å; D16-F20 WeakPolarHBondContact O-CB 3.27Å; D16-F20 PolarHBondContact O-N 3.07Å; D16-F142 HydrophobicContact CB-CZ 4.23Å
17F95Very high92.6Very high1 Ų159.5 Ų59.50%0.00430%0.298CS..Hα-helixtrans-69.1-43178-64.5-77000111.4P12 K13 D14 D15 F20 K21 A131 W132 Q133 Y135 I140 F142P12-F17 HydrophobicContact CB-CE2 3.71Å; P12-F17 HydrophobicContact CB-CZ 3.78Å; P12-F17 HydrophobicContact CG-CE2 4.25Å; P12-F17 HydrophobicContact CG-CZ 4.18Å; K13-F17 WeakPolarHBondContact O-CD2 3.36Å; D14-F17 PolarHBondContact O-N 3.02Å; D15-F17 VanDerWaalsContact C-N 3.35Å; D15-F17 PolarHBondContact O-N 3.13Å; F17-F20 PolarHBondContact O-N 2.86Å; F17-K21 WeakPolarHBondContact O-CB 3.32Å; F17-K21 PolarHBondContact O-N 2.99Å; F17-A131 HydrophobicContact CE1-CB 4.36Å; F17-A131 HydrophobicContact CZ-CB 4.17Å; F17-W132 VanDerWaalsContact CE1-C 3.44Å; F17-W132 WeakPolarHBondContact CZ-O 3.4Å; F17-Q133 HydrophobicContact CD1-CB 3.62Å; F17-Q133 HydrophobicContact CD2-CB 3.97Å; F17-Q133 HydrophobicContact CD2-CG 4.42Å; F17-Q133 HydrophobicContact CE1-CB 3.58Å; F17-Q133 HydrophobicContact CE2-CB 3.9Å; F17-Q133 HydrophobicContact CG-CB 3.84Å; F17-Q133 HydrophobicContact CZ-CB 3.72Å; F17-Y135 WeakPolarHBondContact CB-OH 3.33Å; F17-I140 HydrophobicContact CB-CD1 4.16Å; F17-I140 HydrophobicContact CD1-CB 4.05Å; F17-I140 HydrophobicContact CD1-CG2 3.82Å; F17-F142 HydrophobicContact CD1-CD1 4.09Å; F17-F142 AromaticContact CD1-CE1 3.46Å; F17-F142 HydrophobicContact CD1-CE1 3.46Å; F17-F142 VanDerWaalsContact CD1-CE1 3.46Å; F17-F142 HydrophobicContact CD1-CZ 4.39Å; F17-F142 HydrophobicContact CE1-CD1 4.18Å; F17-F142 AromaticContact CE1-CE1 3.5Å; F17-F142 HydrophobicContact CE1-CE1 3.5Å; F17-F142 VanDerWaalsContact CE1-CE1 3.5Å; F17-F142 HydrophobicContact CE1-CZ 4.11Å; F17-F142 HydrophobicContact CG-CE1 4.16Å; F17-F142 HydrophobicContact CZ-CE1 4.26Å; F17-F142 HydrophobicContact CZ-CZ 4.48Å
18H93.4Very high92.6Very high82 Ų8263 Ų6338%0.3832%0.317SS..Hα-helixtrans-63.5-43.6175.3-73.2-61.7000112.1D14 D15 K21 N22D14-H18 PolarHBondContact O-CD2 2.79Å; D14-H18 PolarHBondContact O-N 3.21Å; D15-H18 PolarHBondContact O-N 3.12Å; H18-K21 PolarHBondContact O-N 2.69Å; H18-N22 WeakPolarHBondContact O-CB 3.25Å; H18-N22 PolarHBondContact O-N 2.9Å; H18-N22 PolarHBondContact O-ND2 3.43Å
19R93.5Very high92.6Very high94 Ų9464.1 Ų64.136%0.35533%0.326SS..Hα-helixtrans-61.8-45.9176.2-172.7-179-177.2179-0.1111.6E2 I3 D15 N22 F23E2-R19 PolarHBondContact O-NH2 2.82Å; I3-R19 HydrophobicContact CG2-CG 4.26Å; I3-R19 VanDerWaalsContact O-CZ 3.23Å; I3-R19 PolarHBondContact O-NH1 3.16Å; I3-R19 VanDerWaalsContact O-NH1 3.12Å; D15-R19 WeakPolarHBondContact O-CB 3.39Å; D15-R19 PolarHBondContact O-N 3.18Å; R19-N22 PolarHBondContact O-N 2.98Å; R19-F23 VanDerWaalsContact O-CB 3.3Å; R19-F23 WeakPolarHBondContact O-CB 3.48Å; R19-F23 PolarHBondContact O-N 2.82Å
20F95.3Very high92.6Very high0 Ų064.2 Ų64.20%032%0.324CS..Hα-helixtrans-59.8-49.7175.3179-101.6000111.2I3 D16 F17 N22 F23 V24 I140 F142 I164 V168 L182I3-F20 HydrophobicContact CD1-CD2 4.08Å; D16-F20 WeakPolarHBondContact O-CB 3.27Å; D16-F20 PolarHBondContact O-N 3.07Å; F17-F20 PolarHBondContact O-N 2.86Å; F20-N22 PolarHBondContact O-N 2.77Å; F20-F23 PolarHBondContact O-N 3.35Å; F20-V24 HydrophobicContact CD1-CG2 4.13Å; F20-V24 HydrophobicContact CD2-CG2 4.31Å; F20-V24 HydrophobicContact CE1-CG2 3.74Å; F20-V24 HydrophobicContact CE2-CG2 3.93Å; F20-V24 HydrophobicContact CG-CG2 4.4Å; F20-V24 HydrophobicContact CZ-CG2 3.6Å; F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 3.38Å; F20-I140 HydrophobicContact CD1-CG2 3.62Å; F20-I140 HydrophobicContact CE1-CG2 4.11Å; F20-F142 HydrophobicContact CB-CD1 4.27Å; F20-F142 HydrophobicContact CD1-CB 4.49Å; F20-F142 HydrophobicContact CD1-CD1 4.28Å; F20-F142 HydrophobicContact CD2-CB 4.25Å; F20-F142 HydrophobicContact CE1-CB 4.37Å; F20-F142 HydrophobicContact CE2-CB 4.13Å; F20-F142 HydrophobicContact CG-CB 4.44Å; F20-F142 HydrophobicContact CG-CD1 4.14Å; F20-F142 HydrophobicContact CZ-CB 4.21Å; F20-I164 HydrophobicContact CD2-CD1 3.92Å; F20-I164 HydrophobicContact CD2-CG1 4.1Å; F20-I164 HydrophobicContact CE2-CD1 3.78Å; F20-I164 HydrophobicContact CE2-CG1 3.65Å; F20-V168 HydrophobicContact CD1-CG2 4.11Å; F20-V168 HydrophobicContact CE1-CG2 3.82Å; F20-L182 HydrophobicContact CE2-CB 4.37Å; F20-L182 HydrophobicContact CE2-CD2 3.83Å; F20-L182 HydrophobicContact CZ-CB 4.23Å; F20-L182 HydrophobicContact CZ-CD2 4.45Å
21K94.9Very high92.9Very high47 Ų4770.2 Ų70.220%0.20435%0.346CS..Hα-helixtrans-55.6-50.6176.7176.2-175.3177.3164.30112.4F17 H18 F23 V24 K25 E138 I140F17-K21 WeakPolarHBondContact O-CB 3.32Å; F17-K21 PolarHBondContact O-N 2.99Å; H18-K21 PolarHBondContact O-N 2.69Å; K21-F23 VanDerWaalsContact C-N 3.28Å; K21-F23 PolarHBondContact O-N 3.09Å; K21-V24 PolarHBondContact O-N 3.09Å; K21-K25 VanDerWaalsContact CE-NZ 3.27Å; K21-K25 HydrophobicContact CG-CD 4.21Å; K21-K25 WeakPolarHBondContact O-CB 3.25Å; K21-K25 WeakPolarHBondContact O-CG 3.36Å; K21-K25 PolarHBondContact O-N 3.32Å; K21-E138 VanDerWaalsContact CD-OE1 3.26Å; K21-E138 WeakPolarHBondContact CD-OE1 3.21Å; K21-E138 WeakPolarHBondContact CE-OE1 3.21Å; K21-E138 WeakPolarHBondContact CE-OE2 3.12Å; K21-E138 VanDerWaalsContact NZ-CD 3.27Å; K21-E138 IonicContact NZ-OE1 3.89Å; K21-E138 PolarHBondContact NZ-OE1 2.98Å; K21-E138 IonicContact NZ-OE2 2.86Å; K21-E138 PolarHBondContact NZ-OE2 3.31Å; K21-E138 VanDerWaalsContact NZ-OE2 3.13Å; K21-I140 HydrophobicContact CB-CD1 3.87Å; K21-I140 HydrophobicContact CD-CD1 4.27Å; K21-I140 HydrophobicContact CG-CD1 4.46Å
22N94.5Very high92.9Very high105 Ų10574.3 Ų74.356%0.56135%0.353SS*.Hα-helixtrans-60.9-41.5-179.8-71.4-15.7000110.9H18 R19 F20 K25 D26H18-N22 WeakPolarHBondContact O-CB 3.25Å; H18-N22 PolarHBondContact O-N 2.9Å; H18-N22 PolarHBondContact O-ND2 3.43Å; R19-N22 PolarHBondContact O-N 2.98Å; F20-N22 PolarHBondContact O-N 2.77Å; N22-K25 PolarHBondContact O-N 3.15Å; N22-D26 PolarHBondContact O-N 2.81Å
23F93.7Very high92.9Very high12 Ų1277.4 Ų77.45%0.05336%0.362CS..Hα-helixtrans-66.6-38.8177.2-174.7-83.4000112.8M1 I3 R19 F20 K21 K25 D26 W30 M53 L182M1-F23 HydrophobicContact CB-CE2 4.35Å; M1-F23 HydrophobicContact SD-CD2 4.43Å; I3-F23 HydrophobicContact CD1-CB 3.95Å; I3-F23 HydrophobicContact CD1-CD1 3.38Å; I3-F23 HydrophobicContact CD1-CD2 4.2Å; I3-F23 HydrophobicContact CD1-CE1 3.9Å; I3-F23 HydrophobicContact CD1-CG 3.56Å; I3-F23 HydrophobicContact CD1-CZ 4.47Å; I3-F23 HydrophobicContact CG1-CB 4.3Å; I3-F23 HydrophobicContact CG1-CD1 4.11Å; I3-F23 HydrophobicContact CG1-CD2 4.01Å; I3-F23 HydrophobicContact CG1-CE1 4.48Å; I3-F23 HydrophobicContact CG1-CE2 4.38Å; I3-F23 HydrophobicContact CG1-CG 3.85Å; R19-F23 VanDerWaalsContact O-CB 3.3Å; R19-F23 WeakPolarHBondContact O-CB 3.48Å; R19-F23 PolarHBondContact O-N 2.82Å; F20-F23 PolarHBondContact O-N 3.35Å; K21-F23 VanDerWaalsContact C-N 3.28Å; K21-F23 PolarHBondContact O-N 3.09Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-D26 WeakPolarHBondContact O-CB 3.45Å; F23-D26 PolarHBondContact O-N 3.2Å; F23-W30 HydrophobicContact CE1-CZ2 4.03Å; F23-W30 HydrophobicContact CZ-CZ2 4.46Å; F23-M53 HydrophobicContact CE1-CE 4.01Å; F23-M53 HydrophobicContact CE1-SD 3.35Å; F23-M53 WeakPolarHBondContact CE1-SD 3.28Å; F23-M53 HydrophobicContact CZ-CE 3.97Å; F23-M53 HydrophobicContact CZ-SD 3.62Å; F23-L182 HydrophobicContact CD1-CD2 3.68Å; F23-L182 HydrophobicContact CE1-CD1 4.34Å; F23-L182 HydrophobicContact CE1-CD2 3.76Å
24V94.5Very high92.8Very high0 Ų073.7 Ų73.70%035%0.347CS..Hα-helixtrans-66.4-38.5175.8174.70000110.9F20 K21 K55 V168 M180 L182F20-V24 HydrophobicContact CD1-CG2 4.13Å; F20-V24 HydrophobicContact CD2-CG2 4.31Å; F20-V24 HydrophobicContact CE1-CG2 3.74Å; F20-V24 HydrophobicContact CE2-CG2 3.93Å; F20-V24 HydrophobicContact CG-CG2 4.4Å; F20-V24 HydrophobicContact CZ-CG2 3.6Å; F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 3.38Å; K21-V24 PolarHBondContact O-N 3.09Å; V24-K55 WeakPolarHBondContact O-CD 3.4Å; V24-K55 PolarHBondContact O-NZ 3.35Å; V24-V168 HydrophobicContact CB-CG2 4.23Å; V24-V168 HydrophobicContact CG1-CG2 4.17Å; V24-V168 HydrophobicContact CG2-CG2 4.27Å; V24-M180 HydrophobicContact CG1-CB 3.42Å; V24-M180 VanDerWaalsContact CG1-CB 3.42Å; V24-M180 HydrophobicContact CG1-CE 3.81Å; V24-M180 HydrophobicContact CG1-CG 4.28Å; V24-M180 HydrophobicContact CG1-SD 3.95Å; V24-M180 VanDerWaalsContact O-CE 3.26Å; V24-M180 WeakPolarHBondContact O-CE 3.42Å; V24-L182 HydrophobicContact CG2-CB 3.88Å; V24-L182 HydrophobicContact CG2-CD2 3.86Å; V24-L182 HydrophobicContact CG2-CG 4.39Å
25K94Very high93Very high86 Ų8674.2 Ų74.237%0.37434%0.344SS..Hα-helixtrans-76.6-22.2178-68-174-175.1-172.10113.6K21 N22 F23 E27 E138 M180K21-K25 VanDerWaalsContact CE-NZ 3.27Å; K21-K25 HydrophobicContact CG-CD 4.21Å; K21-K25 WeakPolarHBondContact O-CB 3.25Å; K21-K25 WeakPolarHBondContact O-CG 3.36Å; K21-K25 PolarHBondContact O-N 3.32Å; N22-K25 PolarHBondContact O-N 3.15Å; F23-K25 VanDerWaalsContact C-N 3.34Å; K25-E27 PolarHBondContact O-N 3.25Å; K25-E138 IonicContact NZ-OE2 3.78Å; K25-E138 PolarHBondContact NZ-OE2 3.47Å; K25-M180 HydrophobicContact CG-CE 4.37Å; K25-M180 HydrophobicContact CG-SD 3.94Å
26D93.3Very high92.9Very high44 Ų4475.6 Ų75.624%0.23535%0.345CS..  trans-54.7129.4174.7174.845.8000111.6N22 F23 T28 W30 R44 K55N22-D26 PolarHBondContact O-N 2.81Å; F23-D26 WeakPolarHBondContact O-CB 3.45Å; F23-D26 PolarHBondContact O-N 3.2Å; D26-T28 WeakPolarHBondContact OD1-CB 3.34Å; D26-T28 PolarHBondContact OD1-N 2.81Å; D26-T28 PolarHBondContact OD1-OG1 2.69Å; D26-W30 PolarHBondContact O-NE1 3.05Å; D26-R44 IonicContact OD2-CZ 2.78Å; D26-R44 IonicContact OD2-NH1 2.83Å; D26-R44 PolarHBondContact OD2-NH1 3.17Å; D26-K55 PolarHBondContact O-NZ 3.09Å
27E91.4Very high92.7Very high164 Ų16483.6 Ų83.677%0.76638%0.378SS*.  trans-100.4-9.2176.8-59.5-167.7162.200112.5K25 N29 W30K25-E27 PolarHBondContact O-N 3.25Å; E27-N29 PolarHBondContact O-N 3.25Å; E27-W30 PolarHBondContact O-N 2.87Å
28T91.5Very high92.6Very high83 Ų8387 Ų8751%0.50940%0.396SS..THydrogen-bonded Turntrans-65.8131.7-178-42.90000111.6D26 W30 R44D26-T28 WeakPolarHBondContact OD1-CB 3.34Å; D26-T28 PolarHBondContact OD1-N 2.81Å; D26-T28 PolarHBondContact OD1-OG1 2.69Å; T28-W30 PolarHBondContact O-N 3Å; T28-R44 PolarHBondContact O-NH1 2.78Å
29N91.3Very high92.7Very high120 Ų12084.2 Ų84.264%0.64239%0.385SS*.THydrogen-bonded Turntrans61.621.3178.3-60-49000115.5E27 R44E27-N29 PolarHBondContact O-N 3.25Å; N29-R44 WeakPolarHBondContact O-CG 3.21Å
30W94Very high92.7Very high27 Ų2781.8 Ų81.810%0.10238%0.378CS..PPolyproline II helixtrans-96.8122.5173.7-71.796.5000111.3F23 D26 E27 T28 F42 R44 M53 K55 L182F23-W30 HydrophobicContact CE1-CZ2 4.03Å; F23-W30 HydrophobicContact CZ-CZ2 4.46Å; D26-W30 PolarHBondContact O-NE1 3.05Å; E27-W30 PolarHBondContact O-N 2.87Å; T28-W30 PolarHBondContact O-N 3Å; W30-F42 HydrophobicContact CB-CB 4.23Å; W30-F42 HydrophobicContact CB-CD1 4.35Å; W30-F42 HydrophobicContact CD2-CB 4.42Å; W30-F42 HydrophobicContact CE3-CB 3.72Å; W30-R44 HydrophobicContact CD2-CB 3.84Å; W30-R44 HydrophobicContact CE3-CB 3.54Å; W30-R44 HydrophobicContact CH2-CB 3.93Å; W30-R44 HydrophobicContact CZ2-CB 4.22Å; W30-R44 HydrophobicContact CZ3-CB 3.59Å; W30-M53 HydrophobicContact CH2-CB 4.25Å; W30-M53 HydrophobicContact CH2-CG 3.7Å; W30-M53 HydrophobicContact CH2-SD 3.59Å; W30-M53 VanDerWaalsContact CH2-SD 3.59Å; W30-M53 HydrophobicContact CZ2-SD 3.99Å; W30-M53 HydrophobicContact CZ3-CG 4.36Å; W30-K55 HydrophobicContact CE3-CB 3.91Å; W30-K55 HydrophobicContact CH2-CB 3.69Å; W30-K55 HydrophobicContact CZ2-CB 4.31Å; W30-K55 HydrophobicContact CZ2-CD 4.46Å; W30-K55 HydrophobicContact CZ3-CB 3.47Å; W30-K55 VanDerWaalsContact CZ3-CB 3.47Å; W30-L182 HydrophobicContact CH2-CD1 3.46Å; W30-L182 VanDerWaalsContact CH2-CD1 3.46Å; W30-L182 HydrophobicContact CZ2-CD1 3.91Å; W30-L182 HydrophobicContact CZ3-CD1 4.48Å
31K93.4Very high92.7Very high141 Ų14181.8 Ų81.861%0.61338%0.378SS*.EExtended strand (participates in β ladder)trans-94.6118.9173.7-65.4-175.1179.2-175.10109.9F42 T43K31-F42 CarbonylContact O-C 3.55Å; K31-F42 VanDerWaalsContact O-CA 3.29Å; K31-F42 WeakPolarHBondContact O-CA 3.44Å; K31-T43 PolarHBondContact N-O 2.85Å; K31-T43 PolarHBondContact O-N 2.87Å; K31-T43 PolarHBondContact O-OG1 2.86Å
32R93.3Very high92.6Very high147 Ų14781.2 Ų81.256%0.55538%0.376SS*.EExtended strand (participates in β ladder)trans-70.3127.3174.6-170.2172.262.2-157.3-6.4110.5E40 F42R32-E40 VanDerWaalsContact CD-OE2 3.26Å; R32-E40 WeakPolarHBondContact CD-OE2 3.2Å; R32-E40 IonicContact NH1-OE2 3.19Å; R32-F42 HydrophobicContact CB-CD1 3.73Å; R32-F42 HydrophobicContact CB-CE1 3.71Å; R32-F42 HydrophobicContact CG-CD1 4.13Å; R32-F42 HydrophobicContact CG-CE1 3.83Å; R32-F42 HydrophobicContact CG-CZ 4.33Å
33R90.1Very high92.6Very high88 Ų8876.5 Ų76.533%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-112.2-24.9-178.8-61.7-55.5-176.1158.85113.7V41 T43 T201 D284R33-V41 PolarHBondContact N-O 3.49Å; R33-T43 HydrophobicContact CG-CG2 3.62Å; R33-T43 WeakPolarHBondContact CG-OG1 3.21Å; R33-T43 PolarHBondContact NE-OG1 3.22Å; R33-T201 HydrophobicContact CB-CG2 4.19Å; R33-T201 HydrophobicContact CG-CG2 4.15Å; R33-D284 IonicContact CZ-OD1 2.66Å; R33-D284 IonicContact CZ-OD2 3.67Å; R33-D284 IonicContact NH1-OD1 3.32Å; R33-D284 PolarHBondContact NH1-OD1 2.85Å; R33-D284 IonicContact NH1-OD2 2.8Å; R33-D284 PolarHBondContact NH1-OD2 2.89Å; R33-D284 VanDerWaalsContact NH1-OD2 3.14Å; R33-D284 IonicContact NH2-OD1 3.35Å; R33-D284 IonicContact NH2-OD2 3.72Å; R33-D284 PolarHBondContact NH2-OD2 3.4Å
34H88.5Confident92.6Very high63 Ų6377.7 Ų77.729%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-145.9141.2178.3-172.278.7000109.7K36 E40 V41H34-K36 WeakPolarHBondContact NE2-CB 3.5Å; H34-E40 WeakPolarHBondContact O-CA 3.47Å; H34-V41 HydrophobicContact CB-CB 3.85Å; H34-V41 HydrophobicContact CB-CG2 3.93Å; H34-V41 PolarHBondContact N-O 3.07Å; H34-V41 PolarHBondContact O-N 2.91Å
35K91.4Very high92.4Very high121 Ų12182 Ų8253%0.52639%0.385SS..EExtended strand (participates in β ladder)trans-144.3120168.1177.7162.7-173.8145.50108.5E40K35-E40 HydrophobicContact CB-CG 4.35Å; K35-E40 HydrophobicContact CD-CG 4.26Å; K35-E40 VanDerWaalsContact CE-OE1 3.28Å; K35-E40 WeakPolarHBondContact CE-OE1 3.32Å; K35-E40 HydrophobicContact CG-CG 3.99Å; K35-E40 IonicContact NZ-OE1 3.1Å; K35-E40 PolarHBondContact NZ-OE1 3.31Å; K35-E40 IonicContact NZ-OE2 3.13Å
36K90.1Very high92Very high138 Ų13879.7 Ų79.760%0.638%0.378SS*.EExtended strand (participates in β ladder)trans-152.1120.9175.6-172.7171.6-176171.20110.8H34 N38 V39H34-K36 WeakPolarHBondContact NE2-CB 3.5Å; K36-N38 PolarHBondContact O-N 2.79Å; K36-V39 PolarHBondContact N-O 3.14Å; K36-V39 PolarHBondContact O-N 2.9Å
37K89.2Confident91.5Very high192 Ų19286 Ų8684%0.83541%0.411SS*.THydrogen-bonded Turntrans49.1-104.3-179-62-173.4179.3-168.20110.7
38N93Very high91Very high72 Ų7284.4 Ų84.439%0.38540%0.403SS..THydrogen-bonded Turntrans-103.110.1-173.7-62.8-5.9000113.3K36 A58 I59K36-N38 PolarHBondContact O-N 2.79Å; N38-A58 CarbonylContact O-C 3.45Å; N38-A58 WeakPolarHBondContact O-CA 3.49Å; N38-I59 HydrophobicContact CB-CB 4.04Å; N38-I59 WeakPolarHBondContact CB-O 3.38Å; N38-I59 PolarHBondContact ND2-O 3.23Å; N38-I59 PolarHBondContact O-N 3.38Å
39V95Very high90.6Very high25 Ų2581.5 Ų81.515%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-127.8124.6-176.6-173.10000110.8K36 V56 V57 A58 V208K36-V39 PolarHBondContact N-O 3.14Å; K36-V39 PolarHBondContact O-N 2.9Å; V39-V56 HydrophobicContact CG1-CG1 4.03Å; V39-V57 CarbonylContact C-O 3.57Å; V39-V57 WeakPolarHBondContact CA-O 3.43Å; V39-A58 HydrophobicContact CG2-CB 4.44Å; V39-V208 HydrophobicContact CG1-CB 4.5Å; V39-V208 HydrophobicContact CG1-CG1 4.46Å; V39-V208 HydrophobicContact CG1-CG2 4.23Å; V39-V208 HydrophobicContact CG2-CB 4.45Å; V39-V208 HydrophobicContact CG2-CG1 3.71Å
40E95Very high90.4Very high43 Ų4380.6 Ų80.620%0.20138%0.38CS..EExtended strand (participates in β ladder)trans-120.2140171.2-57.9-160.8-148.400110.2R32 H34 K35 F42 V56 V57R32-E40 VanDerWaalsContact CD-OE2 3.26Å; R32-E40 WeakPolarHBondContact CD-OE2 3.2Å; R32-E40 IonicContact NH1-OE2 3.19Å; H34-E40 WeakPolarHBondContact O-CA 3.47Å; K35-E40 HydrophobicContact CB-CG 4.35Å; K35-E40 HydrophobicContact CD-CG 4.26Å; K35-E40 VanDerWaalsContact CE-OE1 3.28Å; K35-E40 WeakPolarHBondContact CE-OE1 3.32Å; K35-E40 HydrophobicContact CG-CG 3.99Å; K35-E40 IonicContact NZ-OE1 3.1Å; K35-E40 PolarHBondContact NZ-OE1 3.31Å; K35-E40 IonicContact NZ-OE2 3.13Å; E40-F42 HydrophobicContact CB-CD2 4.43Å; E40-F42 HydrophobicContact CB-CE2 3.5Å; E40-F42 HydrophobicContact CB-CZ 3.83Å; E40-V56 CarbonylContact O-C 3.53Å; E40-V56 VanDerWaalsContact O-CA 3.3Å; E40-V56 WeakPolarHBondContact O-CA 3.3Å; E40-V57 PolarHBondContact N-O 3.33Å; E40-V57 PolarHBondContact O-N 3.16Å
41V93.9Very high90.1Very high0 Ų079.6 Ų79.60%038%0.377CS..EExtended strand (participates in β ladder)trans-124.1130.1177.3-174.60000108.9R33 H34 I54 K55 V56 A204 P205R33-V41 PolarHBondContact N-O 3.49Å; H34-V41 HydrophobicContact CB-CB 3.85Å; H34-V41 HydrophobicContact CB-CG2 3.93Å; H34-V41 PolarHBondContact N-O 3.07Å; H34-V41 PolarHBondContact O-N 2.91Å; V41-I54 HydrophobicContact CG1-CG2 4Å; V41-K55 CarbonylContact C-O 3.57Å; V41-K55 WeakPolarHBondContact CA-O 3.48Å; V41-V56 HydrophobicContact CG1-CG2 4.37Å; V41-V56 HydrophobicContact CG2-CG1 4.44Å; V41-V56 HydrophobicContact CG2-CG2 4.3Å; V41-A204 HydrophobicContact CG1-CB 4.18Å; V41-A204 HydrophobicContact CG2-CB 4.01Å; V41-P205 HydrophobicContact CG2-CG 4.08Å
42F94.5Very high90Very high35 Ų3575.2 Ų75.215%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-124.1151.3-179.9-52.8-98.6000110.2W30 K31 R32 E40 I54 K55 V57W30-F42 HydrophobicContact CB-CB 4.23Å; W30-F42 HydrophobicContact CB-CD1 4.35Å; W30-F42 HydrophobicContact CD2-CB 4.42Å; W30-F42 HydrophobicContact CE3-CB 3.72Å; K31-F42 CarbonylContact O-C 3.55Å; K31-F42 VanDerWaalsContact O-CA 3.29Å; K31-F42 WeakPolarHBondContact O-CA 3.44Å; R32-F42 HydrophobicContact CB-CD1 3.73Å; R32-F42 HydrophobicContact CB-CE1 3.71Å; R32-F42 HydrophobicContact CG-CD1 4.13Å; R32-F42 HydrophobicContact CG-CE1 3.83Å; R32-F42 HydrophobicContact CG-CZ 4.33Å; E40-F42 HydrophobicContact CB-CD2 4.43Å; E40-F42 HydrophobicContact CB-CE2 3.5Å; E40-F42 HydrophobicContact CB-CZ 3.83Å; F42-I54 WeakPolarHBondContact O-CA 3.24Å; F42-K55 HydrophobicContact CB-CB 4.26Å; F42-K55 HydrophobicContact CD2-CG 4.48Å; F42-K55 PolarHBondContact N-O 3.21Å; F42-K55 PolarHBondContact O-N 3.16Å; F42-V57 HydrophobicContact CE2-CG2 4.01Å
43T93.8Very high89.9Confident5 Ų568.5 Ų68.53%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-127.4143175.657.70000110.6K31 R33 M53 I54 T201K31-T43 PolarHBondContact N-O 2.85Å; K31-T43 PolarHBondContact O-N 2.87Å; K31-T43 PolarHBondContact O-OG1 2.86Å; R33-T43 HydrophobicContact CG-CG2 3.62Å; R33-T43 WeakPolarHBondContact CG-OG1 3.21Å; R33-T43 PolarHBondContact NE-OG1 3.22Å; T43-M53 CarbonylContact C-O 3.45Å; T43-M53 VanDerWaalsContact CA-O 3.24Å; T43-M53 WeakPolarHBondContact CA-O 3.28Å; T43-I54 HydrophobicContact CG2-CG1 4.32Å; T43-T201 HydrophobicContact CG2-CG2 3.62Å
44R92.6Very high90.1Very high38 Ų3864.6 Ų64.614%0.14332%0.318CS..EExtended strand (participates in β ladder)trans-135.3130.5173.8178.1172.2-179.5170.26109.8D26 T28 N29 W30 M53D26-R44 IonicContact OD2-CZ 2.78Å; D26-R44 IonicContact OD2-NH1 2.83Å; D26-R44 PolarHBondContact OD2-NH1 3.17Å; T28-R44 PolarHBondContact O-NH1 2.78Å; N29-R44 WeakPolarHBondContact O-CG 3.21Å; W30-R44 HydrophobicContact CD2-CB 3.84Å; W30-R44 HydrophobicContact CE3-CB 3.54Å; W30-R44 HydrophobicContact CH2-CB 3.93Å; W30-R44 HydrophobicContact CZ2-CB 4.22Å; W30-R44 HydrophobicContact CZ3-CB 3.59Å; R44-M53 PolarHBondContact N-O 2.87Å; R44-M53 PolarHBondContact O-N 2.85Å
45S90.7Very high90.4Very high90 Ų9061.9 Ų61.963%0.62931%0.306SS*.  trans-78.2150.8171.3-60.50000110.1
46T86.1Confident90.6Very high38 Ų3856.2 Ų56.223%0.23328%0.281CS..  trans-129.5156.5177670000110.1H48 M53 Q184T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 3.25Å; T46-M53 HydrophobicContact CG2-CB 4.47Å; T46-M53 HydrophobicContact CG2-CE 4.26Å; T46-Q184 PolarHBondContact OG1-NE2 3.03Å
47L83.2Confident90.9Very high176 Ų17650.9 Ų50.992%0.92126%0.26SS*.SBendtrans-73.2-23.1-177.6-63.8173000113.5
48H79.6Confident91.3Very high131 Ų13141.7 Ų41.761%0.60622%0.22SC*.SBendtrans-90.1-16.4-168.9-52.3-69000114.1T46T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 3.25Å
49T84.5Confident91.5Very high22 Ų2241.4 Ų41.414%0.13522%0.218CC..  trans-154.6148.4-176.9177.80000111.5M51 F163 Q184T49-M51 HydrophobicContact CG2-CB 4.2Å; T49-M51 PolarHBondContact O-N 3.31Å; T49-M51 PolarHBondContact OG1-N 3.34Å; T49-M51 VanDerWaalsContact OG1-N 3.14Å; T49-F163 HydrophobicContact CG2-CD2 4.23Å; T49-F163 HydrophobicContact CG2-CE2 3.83Å; T49-F163 HydrophobicContact CG2-CZ 4.1Å; T49-Q184 HydrophobicContact CG2-CG 4.38Å
50N85.9Confident91.7Very high100 Ų10040.5 Ų40.554%0.53521%0.212SC..SBendtrans-72.1-11.4172.7-66-8.2000112.3K52 S193 N197N50-K52 PolarHBondContact O-N 3.4Å; N50-S193 WeakPolarHBondContact CB-OG 3.18Å; N50-N197 PolarHBondContact O-ND2 3.04Å
51M88.7Confident91.7Very high6 Ų642 Ų423%0.0323%0.226CC..SBendtrans-74.1118.3174.5-58.9-57.5173.300109.6T49 Q184 N185 D186 I196T49-M51 HydrophobicContact CG2-CB 4.2Å; T49-M51 PolarHBondContact O-N 3.31Å; T49-M51 PolarHBondContact OG1-N 3.34Å; T49-M51 VanDerWaalsContact OG1-N 3.14Å; M51-Q184 PolarHBondContact O-NE2 3.31Å; M51-N185 WeakPolarHBondContact CG-O 3.3Å; M51-D186 HydrophobicContact CE-CB 4.46Å; M51-D186 WeakPolarHBondContact CE-OD1 3.28Å; M51-D186 HydrophobicContact CG-CB 4.03Å; M51-I196 HydrophobicContact CE-CD1 3.63Å; M51-I196 HydrophobicContact SD-CB 4.36Å; M51-I196 HydrophobicContact SD-CD1 4.12Å; M51-I196 HydrophobicContact SD-CG2 4.15Å
52K90.7Very high91.9Very high49 Ų4945.8 Ų45.821%0.21325%0.246CC..PPolyproline II helixtrans-67.4137.6174.3-71.6179.4-174.8168.90108.7N50 N197 D284N50-K52 PolarHBondContact O-N 3.4Å; K52-N197 HydrophobicContact CB-CB 4.43Å; K52-N197 WeakPolarHBondContact CB-OD1 3.36Å; K52-N197 HydrophobicContact CD-CB 4.13Å; K52-N197 HydrophobicContact CG-CB 4.32Å; K52-N197 PolarHBondContact N-OD1 3.07Å; K52-D284 IonicContact NZ-OD2 3.43Å; K52-D284 PolarHBondContact NZ-OD2 2.7Å; K52-D284 VanDerWaalsContact NZ-OD2 3.1Å
53M92.5Very high92.1Very high7 Ų744.4 Ų44.43%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-75.1142167-171.5-179.4-75.700109.3F23 W30 T43 R44 T46 I164 L182 T183 Q184F23-M53 HydrophobicContact CE1-CE 4.01Å; F23-M53 HydrophobicContact CE1-SD 3.35Å; F23-M53 WeakPolarHBondContact CE1-SD 3.28Å; F23-M53 HydrophobicContact CZ-CE 3.97Å; F23-M53 HydrophobicContact CZ-SD 3.62Å; W30-M53 HydrophobicContact CH2-CB 4.25Å; W30-M53 HydrophobicContact CH2-CG 3.7Å; W30-M53 HydrophobicContact CH2-SD 3.59Å; W30-M53 VanDerWaalsContact CH2-SD 3.59Å; W30-M53 HydrophobicContact CZ2-SD 3.99Å; W30-M53 HydrophobicContact CZ3-CG 4.36Å; T43-M53 CarbonylContact C-O 3.45Å; T43-M53 VanDerWaalsContact CA-O 3.24Å; T43-M53 WeakPolarHBondContact CA-O 3.28Å; R44-M53 PolarHBondContact N-O 2.87Å; R44-M53 PolarHBondContact O-N 2.85Å; T46-M53 HydrophobicContact CG2-CB 4.47Å; T46-M53 HydrophobicContact CG2-CE 4.26Å; M53-I164 HydrophobicContact CE-CG2 3.88Å; M53-L182 HydrophobicContact CG-CD1 3.82Å; M53-L182 HydrophobicContact CG-CG 4.36Å; M53-L182 HydrophobicContact SD-CD1 3.71Å; M53-L182 HydrophobicContact SD-CD2 4.22Å; M53-L182 HydrophobicContact SD-CG 4.23Å; M53-T183 WeakPolarHBondContact CA-O 3.24Å; M53-Q184 HydrophobicContact CB-CB 4.17Å; M53-Q184 HydrophobicContact CB-CG 4.29Å; M53-Q184 HydrophobicContact CE-CB 4.2Å; M53-Q184 HydrophobicContact CG-CB 4.07Å
54I93Very high92.3Very high6 Ų645.1 Ų45.13%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-124129-175.3-62.3169.3000108.6V41 F42 T43 V56 L182 T183 T200V41-I54 HydrophobicContact CG1-CG2 4Å; F42-I54 WeakPolarHBondContact O-CA 3.24Å; T43-I54 HydrophobicContact CG2-CG1 4.32Å; I54-V56 HydrophobicContact CG2-CG2 4.18Å; I54-L182 CarbonylContact O-C 3.53Å; I54-L182 WeakPolarHBondContact O-CA 3.23Å; I54-T183 HydrophobicContact CB-CG2 4.01Å; I54-T183 PolarHBondContact N-O 3.42Å; I54-T183 PolarHBondContact O-N 3.19Å; I54-T200 HydrophobicContact CD1-CG2 3.11Å
55K95.1Very high92.5Very high6 Ų643.9 Ų43.93%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-116.8132.3173.5176.2172.369.3173.70108.8V24 D26 W30 V41 F42 V57 M180 Y181 L182V24-K55 WeakPolarHBondContact O-CD 3.4Å; V24-K55 PolarHBondContact O-NZ 3.35Å; D26-K55 PolarHBondContact O-NZ 3.09Å; W30-K55 HydrophobicContact CE3-CB 3.91Å; W30-K55 HydrophobicContact CH2-CB 3.69Å; W30-K55 HydrophobicContact CZ2-CB 4.31Å; W30-K55 HydrophobicContact CZ2-CD 4.46Å; W30-K55 HydrophobicContact CZ3-CB 3.47Å; W30-K55 VanDerWaalsContact CZ3-CB 3.47Å; V41-K55 CarbonylContact C-O 3.57Å; V41-K55 WeakPolarHBondContact CA-O 3.48Å; F42-K55 HydrophobicContact CB-CB 4.26Å; F42-K55 HydrophobicContact CD2-CG 4.48Å; F42-K55 PolarHBondContact N-O 3.21Å; F42-K55 PolarHBondContact O-N 3.16Å; K55-V57 HydrophobicContact CG-CG2 4.45Å; K55-M180 HydrophobicContact CD-CE 4.27Å; K55-Y181 CarbonylContact C-O 3.53Å; K55-Y181 VanDerWaalsContact CA-O 3.3Å; K55-Y181 WeakPolarHBondContact CA-O 3.36Å; K55-L182 HydrophobicContact CB-CD1 4.03Å
56V95.5Very high92.8Very high2 Ų243.5 Ų43.51%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-121.2129.3175.9-175.90000107.9V39 E40 V41 I54 M180 Y181 A204 V208V39-V56 HydrophobicContact CG1-CG1 4.03Å; E40-V56 CarbonylContact O-C 3.53Å; E40-V56 VanDerWaalsContact O-CA 3.3Å; E40-V56 WeakPolarHBondContact O-CA 3.3Å; V41-V56 HydrophobicContact CG1-CG2 4.37Å; V41-V56 HydrophobicContact CG2-CG1 4.44Å; V41-V56 HydrophobicContact CG2-CG2 4.3Å; I54-V56 HydrophobicContact CG2-CG2 4.18Å; V56-M180 CarbonylContact O-C 3.54Å; V56-M180 WeakPolarHBondContact O-CA 3.3Å; V56-Y181 HydrophobicContact CB-CD1 4.26Å; V56-Y181 HydrophobicContact CG2-CD1 3.96Å; V56-Y181 PolarHBondContact N-O 3.29Å; V56-Y181 PolarHBondContact O-N 3.32Å; V56-A204 HydrophobicContact CG2-CB 3.73Å; V56-V208 HydrophobicContact CG1-CG2 3.56Å
57V96.8Very high93.4Very high25 Ų2542.3 Ų42.315%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-113.6116.7173.2-177.50000107.1V39 E40 F42 K55 Q178 M180V39-V57 CarbonylContact C-O 3.57Å; V39-V57 WeakPolarHBondContact CA-O 3.43Å; E40-V57 PolarHBondContact N-O 3.33Å; E40-V57 PolarHBondContact O-N 3.16Å; F42-V57 HydrophobicContact CE2-CG2 4.01Å; K55-V57 HydrophobicContact CG-CG2 4.45Å; V57-Q178 HydrophobicContact CG1-CG 4.22Å; V57-M180 HydrophobicContact CG2-CE 3.89Å; V57-M180 HydrophobicContact CG2-CG 4.38Å
58A97.4Very high94Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-122.2136.8-179.200000110.8N38 V39 F60 Q178 L179 V208N38-A58 CarbonylContact O-C 3.45Å; N38-A58 WeakPolarHBondContact O-CA 3.49Å; V39-A58 HydrophobicContact CG2-CB 4.44Å; A58-F60 HydrophobicContact CB-CE1 4.23Å; A58-F60 HydrophobicContact CB-CE2 4.27Å; A58-F60 HydrophobicContact CB-CZ 3.82Å; A58-Q178 CarbonylContact O-C 3.47Å; A58-Q178 WeakPolarHBondContact O-CA 3.47Å; A58-L179 HydrophobicContact CB-CB 4.41Å; A58-L179 PolarHBondContact N-O 2.66Å; A58-L179 PolarHBondContact O-N 3.01Å; A58-V208 HydrophobicContact CB-CG1 3.64Å; A58-V208 HydrophobicContact CB-CG2 4.34Å
59I97.8Very high94.9Very high66 Ų6627.7 Ų27.734%0.33815%0.15SC..EExtended strand (participates in β ladder)trans-111123.7173-61.7172.8000109N38 L172 Q178N38-I59 HydrophobicContact CB-CB 4.04Å; N38-I59 WeakPolarHBondContact CB-O 3.38Å; N38-I59 PolarHBondContact ND2-O 3.23Å; N38-I59 PolarHBondContact O-N 3.38Å; I59-L172 HydrophobicContact CG2-CD1 3.82Å; I59-Q178 HydrophobicContact CG1-CG 4.44Å
60F97.4Very high95.5Very high6 Ų626.8 Ų26.83%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-107.5105.5175.6-55.3-58.9000109A58 D62 V63 I68 S176 C177 L179 V208 L211 H212A58-F60 HydrophobicContact CB-CE1 4.23Å; A58-F60 HydrophobicContact CB-CE2 4.27Å; A58-F60 HydrophobicContact CB-CZ 3.82Å; F60-D62 PolarHBondContact O-N 3.42Å; F60-V63 HydrophobicContact CB-CB 3.98Å; F60-V63 HydrophobicContact CB-CG2 4.33Å; F60-I68 HydrophobicContact CD2-CD1 4Å; F60-I68 HydrophobicContact CD2-CG1 4.3Å; F60-I68 HydrophobicContact CE2-CD1 4.02Å; F60-S176 CarbonylContact O-C 3.56Å; F60-S176 VanDerWaalsContact O-CA 3.24Å; F60-S176 WeakPolarHBondContact O-CA 3.22Å; F60-S176 VanDerWaalsContact O-CB 3.3Å; F60-S176 WeakPolarHBondContact O-CB 3.3Å; F60-C177 PolarHBondContact N-O 3.32Å; F60-C177 PolarHBondContact O-N 2.99Å; F60-L179 HydrophobicContact CD2-CB 4.36Å; F60-L179 HydrophobicContact CE2-CB 3.64Å; F60-L179 HydrophobicContact CE2-CD2 3.91Å; F60-L179 HydrophobicContact CE2-CG 4.42Å; F60-L179 HydrophobicContact CZ-CB 4.47Å; F60-L179 HydrophobicContact CZ-CD2 4.23Å; F60-V208 HydrophobicContact CE1-CG1 3.86Å; F60-V208 HydrophobicContact CZ-CG1 3.93Å; F60-L211 HydrophobicContact CE2-CD2 4Å; F60-L211 HydrophobicContact CZ-CD2 3.84Å; F60-H212 HydrophobicContact CD1-CB 4.03Å; F60-H212 AromaticContact CD1-CD2 3.61Å; F60-H212 AromaticContact CD1-CG 3.79Å; F60-H212 HydrophobicContact CE1-CB 3.69Å; F60-H212 AromaticContact CE1-CG 3.98Å
61P96.9Very high95.9Very high75 Ų7522 Ų2249%0.48712%0.119SC..THydrogen-bonded Turntrans-76.5-11.6-175.632.1-35.8000113.6
62D97.7Very high96.2Very high79 Ų7921.9 Ų21.942%0.42212%0.119SC..THydrogen-bonded Turntrans-13015-166.756.9-13.9000112.4F60 V175 H212 L216F60-D62 PolarHBondContact O-N 3.42Å; D62-V175 CarbonylContact C-O 3.47Å; D62-V175 VanDerWaalsContact C-O 3.3Å; D62-H212 VanDerWaalsContact CG-NE2 3.35Å; D62-H212 IonicContact OD1-CD2 2.85Å; D62-H212 IonicContact OD1-CE1 3.83Å; D62-H212 IonicContact OD1-NE2 3.54Å; D62-H212 PolarHBondContact OD1-NE2 3.48Å; D62-H212 IonicContact OD2-CE1 3.32Å; D62-H212 IonicContact OD2-NE2 2.92Å; D62-H212 PolarHBondContact OD2-NE2 3.37Å; D62-L216 HydrophobicContact CB-CD2 4.47Å
63V97.7Very high96.4Very high6 Ų620.2 Ų20.24%0.03611%0.111CC..SBendtrans-137.5125.7177.9-175.70000110.4F60 V67 I68 V175 S176 C177 A215 L216F60-V63 HydrophobicContact CB-CB 3.98Å; F60-V63 HydrophobicContact CB-CG2 4.33Å; V63-V67 HydrophobicContact CG1-CB 3.84Å; V63-V67 HydrophobicContact CG1-CG1 3.88Å; V63-I68 HydrophobicContact CG1-CD1 3.78Å; V63-I68 HydrophobicContact CG1-CG1 3.83Å; V63-V175 CarbonylContact C-O 3.48Å; V63-V175 VanDerWaalsContact C-O 3.27Å; V63-V175 PolarHBondContact N-O 3.44Å; V63-S176 CarbonylContact O-C 3.6Å; V63-S176 VanDerWaalsContact O-CA 3.28Å; V63-S176 WeakPolarHBondContact O-CA 3.32Å; V63-C177 PolarHBondContact O-N 3.38Å; V63-C177 PolarHBondContact O-SG 3.12Å; V63-A215 HydrophobicContact CG1-CB 3.87Å; V63-A215 HydrophobicContact CG2-CB 4.2Å; V63-L216 HydrophobicContact CG2-CD2 3.79Å; V63-L216 HydrophobicContact CG2-CG 4.13Å
64S97.7Very high96.5Very high20 Ų2020 Ų2014%0.1411%0.11CC..  trans-69.7149.4172.9-46.80000112.3H66 V67 P174S64-H66 VanDerWaalsContact C-N 3.3Å; S64-H66 WeakPolarHBondContact CB-CE1 3.31Å; S64-H66 WeakPolarHBondContact CB-ND1 3.18Å; S64-H66 PolarHBondContact O-N 3.11Å; S64-V67 WeakPolarHBondContact O-CB 3.43Å; S64-V67 PolarHBondContact O-N 2.93Å; S64-V67 VanDerWaalsContact O-N 3.11Å; S64-P174 VanDerWaalsContact CB-O 3.27Å; S64-P174 WeakPolarHBondContact CB-O 3.38Å; S64-P174 PolarHBondContact OG-O 3.06Å
65S97.8Very high96.3Very high11 Ų1122 Ų228%0.07712%0.121CC..Hα-helixtrans-57.5-38.9-179.254.90000113.8V67 I68 Y69S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.95Å; S65-I68 PolarHBondContact O-N 3.47Å; S65-Y69 PolarHBondContact O-N 2.96Å
66H96.9Very high96Very high83 Ų8326.3 Ų26.338%0.38415%0.145SC..Hα-helixtrans-65.2-28.8-179.868.6-95.2000113.2S64 D70 Y139S64-H66 VanDerWaalsContact C-N 3.3Å; S64-H66 WeakPolarHBondContact CB-CE1 3.31Å; S64-H66 WeakPolarHBondContact CB-ND1 3.18Å; S64-H66 PolarHBondContact O-N 3.11Å; H66-D70 WeakPolarHBondContact O-CB 3.44Å; H66-D70 PolarHBondContact O-N 3.24Å; H66-Y139 HydrophobicContact CB-CE2 4.5Å
67V97.6Very high95.9Very high13 Ų1326.8 Ų26.88%0.07915%0.146CC..Hα-helixtrans-67.9-47.2176.6174.80000110V63 S64 S65 Y69 D70 M71 A215 Y218 P219V63-V67 HydrophobicContact CG1-CB 3.84Å; V63-V67 HydrophobicContact CG1-CG1 3.88Å; S64-V67 WeakPolarHBondContact O-CB 3.43Å; S64-V67 PolarHBondContact O-N 2.93Å; S64-V67 VanDerWaalsContact O-N 3.11Å; S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.95Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.92Å; V67-D70 PolarHBondContact O-N 3.33Å; V67-M71 WeakPolarHBondContact O-CB 3.19Å; V67-M71 PolarHBondContact O-N 2.9Å; V67-A215 HydrophobicContact CG1-CB 4.36Å; V67-A215 VanDerWaalsContact CG1-O 3.23Å; V67-A215 WeakPolarHBondContact CG1-O 3.32Å; V67-Y218 HydrophobicContact CG1-CD1 4.2Å; V67-P219 HydrophobicContact CG1-CG 4.02Å; V67-P219 HydrophobicContact CG2-CG 4.1Å
68I97Very high95.5Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-61.2-44.5176.2-58.5-68.3000110.4F60 V63 S65 M71 L72 I169 L179 L211 A215F60-I68 HydrophobicContact CD2-CD1 4Å; F60-I68 HydrophobicContact CD2-CG1 4.3Å; F60-I68 HydrophobicContact CE2-CD1 4.02Å; V63-I68 HydrophobicContact CG1-CD1 3.78Å; V63-I68 HydrophobicContact CG1-CG1 3.83Å; S65-I68 PolarHBondContact O-N 3.47Å; I68-M71 HydrophobicContact CD1-CE 4.48Å; I68-M71 PolarHBondContact O-N 2.92Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.33Å; I68-L72 WeakPolarHBondContact O-CB 3.29Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 3.35Å; I68-I169 HydrophobicContact CB-CD1 4.29Å; I68-I169 HydrophobicContact CB-CG2 4.21Å; I68-I169 HydrophobicContact CG2-CD1 3.8Å; I68-I169 HydrophobicContact CG2-CG1 4.12Å; I68-I169 HydrophobicContact CG2-CG2 4.37Å; I68-L179 HydrophobicContact CG2-CD1 4.19Å; I68-L211 HydrophobicContact CD1-CD2 3.71Å; I68-L211 HydrophobicContact CG2-CD2 4.47Å; I68-A215 HydrophobicContact CD1-CB 3.4Å
69Y97.5Very high94.7Very high0 Ų031.4 Ų31.40%017%0.173CC..Hα-helixtrans-59.3-53.3179177-103.5000111.7S65 V67 M71 L72 H73 Y139 I141 I169 W232 R233S65-Y69 PolarHBondContact O-N 2.96Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.92Å; Y69-M71 PolarHBondContact O-N 2.99Å; Y69-L72 PolarHBondContact O-N 3.44Å; Y69-H73 AromaticContact CD2-CD2 3.99Å; Y69-H73 AromaticContact CE2-CD2 3.7Å; Y69-H73 AromaticContact CE2-NE2 3.36Å; Y69-H73 WeakPolarHBondContact CE2-NE2 3.43Å; Y69-H73 AromaticContact CZ-CD2 3.83Å; Y69-H73 AromaticContact CZ-NE2 3.61Å; Y69-H73 PolarHBondContact O-CD2 3.21Å; Y69-H73 PolarHBondContact O-N 3.39Å; Y69-Y139 AromaticContact CD1-CD1 3.74Å; Y69-Y139 HydrophobicContact CD1-CD1 3.74Å; Y69-Y139 AromaticContact CD1-CE1 3.81Å; Y69-Y139 HydrophobicContact CD1-CE1 3.81Å; Y69-Y139 HydrophobicContact CD1-CG 4.45Å; Y69-Y139 VanDerWaalsContact CD2-CB 3.43Å; Y69-Y139 AromaticContact CD2-CD1 3.42Å; Y69-Y139 HydrophobicContact CD2-CD1 3.42Å; Y69-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y69-Y139 HydrophobicContact CD2-CE1 4.31Å; Y69-Y139 AromaticContact CD2-CG 3.58Å; Y69-Y139 HydrophobicContact CD2-CG 3.58Å; Y69-Y139 AromaticContact CE1-CD1 3.95Å; Y69-Y139 HydrophobicContact CE1-CD1 3.95Å; Y69-Y139 HydrophobicContact CE1-CE1 4.08Å; Y69-Y139 AromaticContact CE2-CD1 3.67Å; Y69-Y139 HydrophobicContact CE2-CD1 3.67Å; Y69-Y139 HydrophobicContact CE2-CG 4.19Å; Y69-Y139 AromaticContact CG-CD1 3.42Å; Y69-Y139 HydrophobicContact CG-CD1 3.42Å; Y69-Y139 VanDerWaalsContact CG-CD1 3.42Å; Y69-Y139 HydrophobicContact CG-CD2 4.38Å; Y69-Y139 AromaticContact CG-CE1 3.88Å; Y69-Y139 HydrophobicContact CG-CE1 3.88Å; Y69-Y139 AromaticContact CG-CG 3.71Å; Y69-Y139 HydrophobicContact CG-CG 3.71Å; Y69-Y139 AromaticContact CZ-CD1 3.92Å; Y69-I141 HydrophobicContact CD2-CD1 3.89Å; Y69-I141 HydrophobicContact CD2-CG1 4.26Å; Y69-I141 HydrophobicContact CE2-CD1 4.11Å; Y69-I141 HydrophobicContact CE2-CG1 4.11Å; Y69-I169 HydrophobicContact CD2-CD1 4.4Å; Y69-W232 AromaticContact CE1-CD1 3.74Å; Y69-R233 VanDerWaalsContact CD1-NH2 3.31Å; Y69-R233 HydrophobicContact CE1-CG 4.23Å
70D97.1Very high94.1Very high3 Ų331.5 Ų31.52%0.01618%0.18CC..Hα-helixtrans-61.2-44.6-179.6-74.5-8.2000111.6H66 V67 L72 H73 D74 Y218 K230 W232 R233H66-D70 WeakPolarHBondContact O-CB 3.44Å; H66-D70 PolarHBondContact O-N 3.24Å; V67-D70 PolarHBondContact O-N 3.33Å; D70-L72 VanDerWaalsContact C-N 3.3Å; D70-L72 PolarHBondContact O-N 3.45Å; D70-H73 PolarHBondContact O-N 2.8Å; D70-H73 VanDerWaalsContact O-N 3.12Å; D70-D74 WeakPolarHBondContact O-CB 3.23Å; D70-D74 PolarHBondContact O-N 2.92Å; D70-Y218 HydrophobicContact CB-CD1 4.39Å; D70-Y218 HydrophobicContact CB-CE1 3.41Å; D70-Y218 VanDerWaalsContact CB-CE1 3.41Å; D70-K230 IonicContact OD2-NZ 3.29Å; D70-K230 PolarHBondContact OD2-NZ 3.09Å; D70-W232 HydrophobicContact CB-CZ2 4.23Å; D70-W232 PolarHBondContact OD1-NE1 3.22Å; D70-R233 IonicContact OD1-CZ 3.22Å; D70-R233 IonicContact OD1-NE 2.69Å; D70-R233 PolarHBondContact OD1-NE 2.8Å; D70-R233 IonicContact OD1-NH2 2.9Å; D70-R233 PolarHBondContact OD1-NH2 2.63Å; D70-R233 IonicContact OD2-NE 3.63Å; D70-R233 IonicContact OD2-NH2 3.76Å
71M95.9Very high93.4Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-60-36.9178.2-177.4-164.270.100112.9V67 I68 Y69 H73 Y77 W81 L211 A214 A215 Y218V67-M71 WeakPolarHBondContact O-CB 3.19Å; V67-M71 PolarHBondContact O-N 2.9Å; I68-M71 HydrophobicContact CD1-CE 4.48Å; I68-M71 PolarHBondContact O-N 2.92Å; Y69-M71 PolarHBondContact O-N 2.99Å; M71-H73 VanDerWaalsContact C-N 3.26Å; M71-H73 PolarHBondContact O-N 3.38Å; M71-Y77 HydrophobicContact CG-CD1 3.75Å; M71-Y77 HydrophobicContact CG-CE1 3.85Å; M71-Y77 HydrophobicContact SD-CE1 4.3Å; M71-W81 HydrophobicContact CE-CZ2 4.21Å; M71-L211 HydrophobicContact CE-CD2 3.8Å; M71-L211 HydrophobicContact CE-CG 3.65Å; M71-A214 HydrophobicContact SD-CB 3.57Å; M71-A214 VanDerWaalsContact SD-CB 3.57Å; M71-A215 HydrophobicContact CE-CB 4.25Å; M71-A215 WeakPolarHBondContact SD-CA 3.48Å; M71-A215 HydrophobicContact SD-CB 3.83Å; M71-A215 PolarHBondContact SD-N 2.9Å; M71-Y218 HydrophobicContact CB-CD1 4.16Å; M71-Y218 HydrophobicContact CB-CD2 4.15Å; M71-Y218 HydrophobicContact CB-CG 3.92Å; M71-Y218 HydrophobicContact CG-CD2 4.28Å; M71-Y218 HydrophobicContact CG-CG 4.28Å
72L94.7Very high92.7Very high3 Ų330.1 Ų30.12%0.01617%0.166CC..Hα-helixtrans-73.7-16.3179.2-74.1175.8000113.7I68 Y69 D70 R130 I141 Y167 I169 L211I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.33Å; I68-L72 WeakPolarHBondContact O-CB 3.29Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 3.35Å; Y69-L72 PolarHBondContact O-N 3.44Å; D70-L72 VanDerWaalsContact C-N 3.3Å; D70-L72 PolarHBondContact O-N 3.45Å; L72-R130 PolarHBondContact O-NH2 2.97Å; L72-I141 HydrophobicContact CB-CD1 4.08Å; L72-I141 HydrophobicContact CD1-CD1 4.31Å; L72-Y167 HydrophobicContact CD1-CD1 3.94Å; L72-Y167 HydrophobicContact CD1-CD2 4.01Å; L72-Y167 HydrophobicContact CD1-CE1 4.23Å; L72-Y167 HydrophobicContact CD1-CE2 4.34Å; L72-Y167 HydrophobicContact CD1-CG 3.8Å; L72-Y167 HydrophobicContact CD2-CE1 4.29Å; L72-Y167 HydrophobicContact CD2-CE2 4.41Å; L72-I169 HydrophobicContact CD1-CD1 4.08Å; L72-L211 HydrophobicContact CD2-CD1 4.34Å
73H94.8Very high91.8Very high13 Ų1329.8 Ų29.86%0.0616%0.164CC..Hα-helixtrans-96.8-28.7174.7-82.4-85.6000113.5Y69 D70 M71 N75 R130 W132 I141 W232Y69-H73 AromaticContact CD2-CD2 3.99Å; Y69-H73 AromaticContact CE2-CD2 3.7Å; Y69-H73 AromaticContact CE2-NE2 3.36Å; Y69-H73 WeakPolarHBondContact CE2-NE2 3.43Å; Y69-H73 AromaticContact CZ-CD2 3.83Å; Y69-H73 AromaticContact CZ-NE2 3.61Å; Y69-H73 PolarHBondContact O-CD2 3.21Å; Y69-H73 PolarHBondContact O-N 3.39Å; D70-H73 PolarHBondContact O-N 2.8Å; D70-H73 VanDerWaalsContact O-N 3.12Å; M71-H73 VanDerWaalsContact C-N 3.26Å; M71-H73 PolarHBondContact O-N 3.38Å; H73-N75 PolarHBondContact O-N 3.21Å; H73-R130 PolarHBondContact CE1-NH1 3.21Å; H73-R130 PolarHBondContact CE1-NH2 3.28Å; H73-R130 PolarHBondContact ND1-NH1 2.83Å; H73-R130 PolarHBondContact ND1-NH2 3.48Å; H73-R130 VanDerWaalsContact ND1-NH2 3.16Å; H73-W132 AromaticContact CE1-CD1 3.83Å; H73-W132 AromaticContact CE1-CD2 3.44Å; H73-W132 VanDerWaalsContact CE1-CD2 3.44Å; H73-W132 AromaticContact CE1-CE2 3.81Å; H73-W132 AromaticContact CE1-CE3 3.88Å; H73-W132 AromaticContact CE1-CG 3.43Å; H73-W132 VanDerWaalsContact CE1-CG 3.43Å; H73-W132 AromaticContact NE2-CG 3.81Å; H73-I141 WeakPolarHBondContact NE2-CD1 3.29Å; H73-W232 HydrophobicContact CB-CB 3.85Å; H73-W232 HydrophobicContact CB-CD2 3.33Å; H73-W232 HydrophobicContact CB-CE3 3.65Å; H73-W232 HydrophobicContact CB-CG 3.4Å; H73-W232 VanDerWaalsContact CB-CG 3.4Å; H73-W232 HydrophobicContact CB-CZ2 4.45Å; H73-W232 HydrophobicContact CB-CZ3 4.33Å; H73-W232 AromaticContact CG-CD1 3.86Å; H73-W232 AromaticContact CG-CG 3.54Å; H73-W232 VanDerWaalsContact ND1-CB 3.31Å; H73-W232 WeakPolarHBondContact ND1-CB 3.44Å; H73-W232 AromaticContact ND1-CG 3.87Å
74D94.3Very high90.9Very high2 Ų230.4 Ų30.41%0.01117%0.168CC..  trans-75.987.2-172.9-159.3-35000111.6D70 N76 Y77 R78 Y218 K222 W232D70-D74 WeakPolarHBondContact O-CB 3.23Å; D70-D74 PolarHBondContact O-N 2.92Å; D74-N76 PolarHBondContact O-N 3.21Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.13Å; D74-Y77 PolarHBondContact O-N 2.91Å; D74-Y77 VanDerWaalsContact O-N 3.08Å; D74-Y77 PolarHBondContact OD1-N 2.99Å; D74-R78 PolarHBondContact O-N 3.44Å; D74-Y218 HydrophobicContact CB-CE2 3.84Å; D74-Y218 PolarHBondContact OD2-OH 2.66Å; D74-K222 IonicContact OD2-NZ 3.94Å; D74-K222 PolarHBondContact OD2-NZ 2.85Å; D74-W232 HydrophobicContact CB-CH2 3.55Å; D74-W232 HydrophobicContact CB-CZ2 4.17Å; D74-W232 HydrophobicContact CB-CZ3 4.13Å; D74-W232 WeakPolarHBondContact OD2-CH2 3.36Å
75N88.3Confident90.3Very high50 Ų5030.7 Ų30.727%0.26717%0.168SC..Hα-helixtrans-58.9-29.8179-80.6-14.2000113.3H73 R78 S79H73-N75 PolarHBondContact O-N 3.21Å; N75-R78 WeakPolarHBondContact O-CB 3.32Å; N75-R78 PolarHBondContact O-N 3.08Å; N75-S79 PolarHBondContact O-N 2.88Å
76N89.6Confident89.7Confident96 Ų9635.2 Ų35.251%0.51318%0.183SC..Hα-helixtrans-64.3-45.5175.3-65.4-34.6000110D74 S79 W221D74-N76 PolarHBondContact O-N 3.21Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.13Å; N76-S79 PolarHBondContact O-OG 2.99Å; N76-W221 HydrophobicContact CB-CH2 3.85Å; N76-W221 HydrophobicContact CB-CZ2 4.37Å
77Y92.9Very high89.3Confident11 Ų1134 Ų344%0.04318%0.178CC..Hα-helixtrans-70.1-35.5174.8-169.7-117.6000112.9M71 D74 S79 S80 W81 A214 C217 Y218 W221M71-Y77 HydrophobicContact CG-CD1 3.75Å; M71-Y77 HydrophobicContact CG-CE1 3.85Å; M71-Y77 HydrophobicContact SD-CE1 4.3Å; D74-Y77 PolarHBondContact O-N 2.91Å; D74-Y77 VanDerWaalsContact O-N 3.08Å; D74-Y77 PolarHBondContact OD1-N 2.99Å; Y77-S79 PolarHBondContact O-N 2.93Å; Y77-S79 VanDerWaalsContact O-N 3.12Å; Y77-S80 WeakPolarHBondContact CD2-OG 3.4Å; Y77-S80 VanDerWaalsContact CE2-OG 3.32Å; Y77-S80 WeakPolarHBondContact CE2-OG 3.21Å; Y77-S80 WeakPolarHBondContact O-CB 3.19Å; Y77-S80 PolarHBondContact O-N 2.84Å; Y77-S80 PolarHBondContact O-OG 2.86Å; Y77-W81 AromaticContact CD1-CD1 3.54Å; Y77-W81 AromaticContact CD1-NE1 3.65Å; Y77-W81 AromaticContact CE1-CD1 3.56Å; Y77-W81 HydrophobicContact CE1-CG 4.47Å; Y77-W81 AromaticContact CE1-NE1 3.93Å; Y77-W81 VanDerWaalsContact O-CD1 3.23Å; Y77-A214 HydrophobicContact CE1-CB 4.12Å; Y77-A214 PolarHBondContact OH-O 2.89Å; Y77-C217 WeakPolarHBondContact OH-CB 3.26Å; Y77-Y218 AromaticContact CD1-CD2 3.36Å; Y77-Y218 HydrophobicContact CD1-CD2 3.36Å; Y77-Y218 HydrophobicContact CD1-CE2 4.03Å; Y77-Y218 HydrophobicContact CD1-CG 4.28Å; Y77-Y218 HydrophobicContact CD2-CD2 4.23Å; Y77-Y218 AromaticContact CE1-CD2 3.71Å; Y77-Y218 HydrophobicContact CE1-CD2 3.71Å; Y77-Y218 HydrophobicContact CE1-CG 4.26Å; Y77-Y218 AromaticContact CG-CD2 3.63Å; Y77-Y218 HydrophobicContact CG-CD2 3.63Å; Y77-Y218 HydrophobicContact CG-CE2 4.02Å; Y77-W221 HydrophobicContact CD2-CB 4.04Å; Y77-W221 AromaticContact CD2-CD1 3.94Å; Y77-W221 AromaticContact CD2-CD2 3.25Å; Y77-W221 HydrophobicContact CD2-CD2 3.25Å; Y77-W221 AromaticContact CD2-CE2 3.67Å; Y77-W221 AromaticContact CD2-CE3 3.51Å; Y77-W221 HydrophobicContact CD2-CE3 3.51Å; Y77-W221 AromaticContact CD2-CG 3.48Å; Y77-W221 HydrophobicContact CD2-CG 3.48Å; Y77-W221 VanDerWaalsContact CD2-CG 3.48Å; Y77-W221 HydrophobicContact CD2-CH2 4.49Å; Y77-W221 HydrophobicContact CD2-CZ2 4.27Å; Y77-W221 HydrophobicContact CD2-CZ3 4.14Å; Y77-W221 HydrophobicContact CE2-CB 3.66Å; Y77-W221 AromaticContact CE2-CD1 3.93Å; Y77-W221 AromaticContact CE2-CD2 3.84Å; Y77-W221 HydrophobicContact CE2-CD2 3.84Å; Y77-W221 HydrophobicContact CE2-CE3 4.31Å; Y77-W221 AromaticContact CE2-CG 3.51Å; Y77-W221 HydrophobicContact CE2-CG 3.51Å; Y77-W221 HydrophobicContact CG-CD2 4.15Å; Y77-W221 AromaticContact CG-CE3 3.95Å; Y77-W221 HydrophobicContact CG-CE3 3.95Å; Y77-W221 HydrophobicContact CG-CZ3 4.26Å
78R87.8Confident89Confident41 Ų4134.8 Ų34.816%0.15518%0.183CC..Hα-helixtrans-50.1-42179.7-165.294.9-174.1-136.7-4.5111.8D74 N75 S80 W81 D82 M85D74-R78 PolarHBondContact O-N 3.44Å; N75-R78 WeakPolarHBondContact O-CB 3.32Å; N75-R78 PolarHBondContact O-N 3.08Å; R78-S80 PolarHBondContact O-N 3.31Å; R78-S80 VanDerWaalsContact O-N 3.16Å; R78-W81 PolarHBondContact O-N 3.09Å; R78-D82 HydrophobicContact CG-CB 3.81Å; R78-D82 IonicContact CZ-OD2 3.94Å; R78-D82 VanDerWaalsContact CZ-OD2 3.24Å; R78-D82 IonicContact NE-OD2 3.41Å; R78-D82 PolarHBondContact NE-OD2 3.17Å; R78-D82 IonicContact NH2-OD2 3.96Å; R78-D82 PolarHBondContact NH2-OD2 2.86Å; R78-D82 WeakPolarHBondContact O-CA 3.06Å; R78-D82 VanDerWaalsContact O-CB 3.27Å; R78-D82 WeakPolarHBondContact O-CB 3.12Å; R78-D82 PolarHBondContact O-N 3.37Å; R78-M85 HydrophobicContact CB-SD 4.04Å; R78-M85 HydrophobicContact CG-SD 3.68Å
79S82Confident88.8Confident81 Ų8138.5 Ų38.557%0.56621%0.206SC*.Hα-helixtrans-58.9-25.2178.272.80000114.6N75 N76 Y77N75-S79 PolarHBondContact O-N 2.88Å; N76-S79 PolarHBondContact O-OG 2.99Å; Y77-S79 PolarHBondContact O-N 2.93Å; Y77-S79 VanDerWaalsContact O-N 3.12Å
80S83.9Confident88.7Confident69 Ų6941.8 Ų41.848%0.48322%0.222SC..Hα-helixtrans-83.1-17.9-177.480.20000113.8Y77 R78Y77-S80 WeakPolarHBondContact CD2-OG 3.4Å; Y77-S80 VanDerWaalsContact CE2-OG 3.32Å; Y77-S80 WeakPolarHBondContact CE2-OG 3.21Å; Y77-S80 WeakPolarHBondContact O-CB 3.19Å; Y77-S80 PolarHBondContact O-N 2.84Å; Y77-S80 PolarHBondContact O-OG 2.86Å; R78-S80 PolarHBondContact O-N 3.31Å; R78-S80 VanDerWaalsContact O-N 3.16Å
81W83.7Confident88.7Confident37 Ų3743.2 Ų43.214%0.1423%0.229CC..Hα-helixtrans-131.5-25.3-174.672.1-92.7000114M71 Y77 R78 N83 L211 A214M71-W81 HydrophobicContact CE-CZ2 4.21Å; Y77-W81 AromaticContact CD1-CD1 3.54Å; Y77-W81 AromaticContact CD1-NE1 3.65Å; Y77-W81 AromaticContact CE1-CD1 3.56Å; Y77-W81 HydrophobicContact CE1-CG 4.47Å; Y77-W81 AromaticContact CE1-NE1 3.93Å; Y77-W81 VanDerWaalsContact O-CD1 3.23Å; R78-W81 PolarHBondContact O-N 3.09Å; W81-N83 PolarHBondContact O-N 2.88Å; W81-L211 HydrophobicContact CZ3-CB 4.41Å; W81-A214 HydrophobicContact CB-CB 3.79Å; W81-A214 HydrophobicContact CD2-CB 3.56Å; W81-A214 HydrophobicContact CE3-CB 3.99Å; W81-A214 HydrophobicContact CG-CB 3.46Å; W81-A214 VanDerWaalsContact CG-CB 3.46Å
82D81.6Confident88.7Confident14 Ų1443.4 Ų43.48%0.07523%0.23CC..  trans-96.184.5177.4-166.9-10.6000110.8R78 T84 M85R78-D82 HydrophobicContact CG-CB 3.81Å; R78-D82 IonicContact CZ-OD2 3.94Å; R78-D82 VanDerWaalsContact CZ-OD2 3.24Å; R78-D82 IonicContact NE-OD2 3.41Å; R78-D82 PolarHBondContact NE-OD2 3.17Å; R78-D82 IonicContact NH2-OD2 3.96Å; R78-D82 PolarHBondContact NH2-OD2 2.86Å; R78-D82 WeakPolarHBondContact O-CA 3.06Å; R78-D82 VanDerWaalsContact O-CB 3.27Å; R78-D82 WeakPolarHBondContact O-CB 3.12Å; R78-D82 PolarHBondContact O-N 3.37Å; D82-T84 PolarHBondContact O-N 3.21Å; D82-T84 VanDerWaalsContact OD1-CB 3.3Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 PolarHBondContact OD1-N 3.4Å; D82-T84 PolarHBondContact OD1-OG1 3.4Å; D82-M85 HydrophobicContact CB-CB 4.47Å; D82-M85 PolarHBondContact O-N 2.79Å
83N78.7Confident88.8Confident73 Ų7345.3 Ų45.339%0.3924%0.237SC..THydrogen-bonded Turntrans-63.4-12.2177-64.9-53.4000113.6W81 R106 Y109W81-N83 PolarHBondContact O-N 2.88Å; N83-R106 PolarHBondContact O-NH1 2.99Å; N83-Y109 HydrophobicContact CB-CD1 3.91Å; N83-Y109 HydrophobicContact CB-CD2 3.65Å; N83-Y109 HydrophobicContact CB-CE1 3.56Å; N83-Y109 HydrophobicContact CB-CE2 3.28Å; N83-Y109 HydrophobicContact CB-CG 3.95Å; N83-Y109 PolarHBondContact ND2-OH 3.47Å
84T80.2Confident88.8Confident18 Ų1846.2 Ų46.211%0.1124%0.242CC..THydrogen-bonded Turntrans-78-26.1175.577.80000111.7D82 R86 C105 R106 Y109 I110D82-T84 PolarHBondContact O-N 3.21Å; D82-T84 VanDerWaalsContact OD1-CB 3.3Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 PolarHBondContact OD1-N 3.4Å; D82-T84 PolarHBondContact OD1-OG1 3.4Å; T84-R86 PolarHBondContact O-N 3.47Å; T84-C105 CarbonylContact O-C 3.55Å; T84-C105 VanDerWaalsContact O-CA 3.27Å; T84-C105 WeakPolarHBondContact O-CA 3.18Å; T84-R106 PolarHBondContact O-N 2.69Å; T84-Y109 HydrophobicContact CG2-CD1 3.88Å; T84-Y109 HydrophobicContact CG2-CE1 4.48Å; T84-I110 HydrophobicContact CG2-CD1 4.08Å; T84-I110 HydrophobicContact CG2-CG1 3.64Å
85M83.9Confident88.9Confident27 Ų2748.1 Ų48.113%0.13325%0.253CS..EExtended strand (participates in β ladder)trans-73120.8-180-179.8173.6157.100110.7R78 D82 F103 R106R78-M85 HydrophobicContact CB-SD 4.04Å; R78-M85 HydrophobicContact CG-SD 3.68Å; D82-M85 HydrophobicContact CB-CB 4.47Å; D82-M85 PolarHBondContact O-N 2.79Å; M85-F103 HydrophobicContact CB-CE2 4.1Å; M85-F103 HydrophobicContact CB-CZ 4.06Å; M85-F103 HydrophobicContact CG-CE2 3.72Å; M85-F103 HydrophobicContact CG-CZ 4.16Å; M85-F103 HydrophobicContact SD-CE2 4.04Å; M85-R106 PolarHBondContact O-NH1 2.86Å
86R85.9Confident89.2Confident106 Ų10650.2 Ų50.240%0.426%0.258SS..EExtended strand (participates in β ladder)trans-95.6-49173.7-174.1168.6173.1-162.36.3111.3T84 G104 R106 N123 Y157T84-R86 PolarHBondContact O-N 3.47Å; R86-G104 WeakPolarHBondContact CB-O 3.5Å; R86-G104 PolarHBondContact N-O 2.77Å; R86-R106 HydrophobicContact CB-CG 3.82Å; R86-R106 HydrophobicContact CG-CG 4.34Å; R86-N123 PolarHBondContact NH1-ND2 3.21Å; R86-N123 VanDerWaalsContact NH1-ND2 3.16Å; R86-Y157 VanDerWaalsContact CD-OH 3.23Å; R86-Y157 WeakPolarHBondContact CD-OH 3.45Å; R86-Y157 PolarHBondContact NE-OH 3.36Å; R86-Y157 VanDerWaalsContact NH1-CZ 3.34Å; R86-Y157 PolarHBondContact NH1-OH 2.76Å
87E88.5Confident89.5Confident58 Ų5846.2 Ų46.227%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-154.4153.5-179.863.5-169.4166.400109.7H102 G104 R154 Y157E87-H102 IonicContact OE1-CE1 2.69Å; E87-H102 PolarHBondContact OE1-CE1 3.12Å; E87-G104 PolarHBondContact N-O 3.18Å; E87-G104 PolarHBondContact O-N 2.88Å; E87-R154 IonicContact OE1-CZ 2.74Å; E87-R154 IonicContact OE1-NH1 3.52Å; E87-R154 PolarHBondContact OE1-NH1 3.18Å; E87-R154 IonicContact OE1-NH2 3.77Å; E87-R154 PolarHBondContact OE1-NH2 3Å; E87-Y157 WeakPolarHBondContact OE1-CE2 3.4Å; E87-Y157 VanDerWaalsContact OE1-CZ 3.24Å; E87-Y157 PolarHBondContact OE1-OH 2.92Å
88S91.5Very high89.7Confident29 Ų2945.7 Ų45.720%0.20323%0.234CC..EExtended strand (participates in β ladder)trans-148.7129.9172.6174.70000108.4H102S88-H102 VanDerWaalsContact CA-O 3.27Å; S88-H102 WeakPolarHBondContact CA-O 3.34Å
89T92.5Very high90.2Very high77 Ų7744.4 Ų44.447%0.47223%0.229SC..EExtended strand (participates in β ladder)trans-138.6125.6-178-54.70000109.6I91 E101 H102T89-I91 HydrophobicContact CG2-CD1 4.47Å; T89-I91 PolarHBondContact O-N 3.34Å; T89-E101 CarbonylContact O-C 3.49Å; T89-E101 VanDerWaalsContact O-CA 3.29Å; T89-E101 WeakPolarHBondContact O-CA 3.31Å; T89-H102 PolarHBondContact N-O 3.47Å; T89-H102 PolarHBondContact O-N 3.25Å
90E94.6Very high90.9Very high70 Ų7040.5 Ų40.533%0.32720%0.202SC..EExtended strand (participates in β ladder)trans-69.1126.3170.1-69.5-175.9-156.100109.7R93 Y99 V242E90-R93 IonicContact OE2-NH2 2.79Å; E90-R93 PolarHBondContact OE2-NH2 3.02Å; E90-Y99 HydrophobicContact CG-CD2 4.23Å; E90-Y99 HydrophobicContact CG-CE2 4.3Å; E90-Y99 HydrophobicContact CG-CG 4.4Å; E90-V242 HydrophobicContact CB-CG1 4.16Å; E90-V242 HydrophobicContact CB-CG2 3.96Å
91I96.6Very high91.5Very high33 Ų3337.8 Ų37.817%0.16918%0.182CC..EExtended strand (participates in β ladder)trans-95.9-48.3-176.2-56.4-59.2000110.7T89 I100 H102 V151 P243T89-I91 HydrophobicContact CG2-CD1 4.47Å; T89-I91 PolarHBondContact O-N 3.34Å; I91-I100 HydrophobicContact CB-CG2 4.34Å; I91-I100 WeakPolarHBondContact CB-O 3.35Å; I91-I100 PolarHBondContact N-O 3.44Å; I91-H102 HydrophobicContact CD1-CB 3.98Å; I91-H102 HydrophobicContact CG1-CB 4.25Å; I91-V151 HydrophobicContact CD1-CG2 3.66Å; I91-V151 HydrophobicContact CG1-CG2 3.9Å; I91-V151 HydrophobicContact CG2-CG2 4.05Å; I91-P243 WeakPolarHBondContact O-CD 3.23Å; I91-P243 VanDerWaalsContact O-CG 3.31Å; I91-P243 WeakPolarHBondContact O-CG 3.39Å
92C97Very high92Very high3 Ų336.4 Ų36.42%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-158.6155.2175.963.50000111.7Y99 I100 P243C92-Y99 CarbonylContact O-C 3.57Å; C92-Y99 WeakPolarHBondContact O-CA 3.37Å; C92-Y99 WeakPolarHBondContact O-CB 3.45Å; C92-I100 PolarHBondContact N-O 3.2Å; C92-I100 PolarHBondContact O-N 2.88Å; C92-P243 CarbonylContact C-O 3.53Å; C92-P243 WeakPolarHBondContact CA-O 3.37Å; C92-P243 HydrophobicContact CB-CG 4.33Å; C92-P243 WeakPolarHBondContact CB-O 3.48Å
93R96.2Very high92.6Very high43 Ų4337.1 Ų37.116%0.16218%0.18CC..EExtended strand (participates in β ladder)trans-102.2134.5180-168.7169.2-63.5130.78.8111E90 T95 D239 V242 P243 A244 L245E90-R93 IonicContact OE2-NH2 2.79Å; E90-R93 PolarHBondContact OE2-NH2 3.02Å; R93-T95 WeakPolarHBondContact CG-O 3.29Å; R93-D239 PolarHBondContact NH1-O 3.12Å; R93-D239 PolarHBondContact NH2-O 3.32Å; R93-V242 HydrophobicContact CB-CG1 4.31Å; R93-P243 PolarHBondContact N-O 2.8Å; R93-A244 CarbonylContact O-C 3.57Å; R93-L245 PolarHBondContact O-N 3.43Å
94I96.1Very high93.2Very high33 Ų3333.6 Ų33.617%0.16916%0.161CC..EExtended strand (participates in β ladder)trans-99.2-51.1176.6-48.9-173.9000109.6V9 P11 C98 I100 L129 L245V9-I94 HydrophobicContact CG1-CD1 3.96Å; P11-I94 HydrophobicContact CB-CG2 4.14Å; I94-C98 HydrophobicContact CB-CB 4.26Å; I94-C98 PolarHBondContact N-O 3.48Å; I94-I100 HydrophobicContact CD1-CD1 4.44Å; I94-I100 HydrophobicContact CD1-CG1 4.19Å; I94-L129 HydrophobicContact CD1-CD1 3.56Å; I94-L129 HydrophobicContact CD1-CG 4.12Å; I94-L245 HydrophobicContact CD1-CD2 4.25Å; I94-L245 HydrophobicContact CG1-CB 4.27Å; I94-L245 HydrophobicContact CG1-CD2 4.06Å; I94-L245 HydrophobicContact CG2-CD2 4.14Å
95T96Very high93.5Very high41 Ų4133.2 Ų33.225%0.25216%0.159SC..EExtended strand (participates in β ladder)trans-142176.2175.5590000109P11 R93 N97 C98P11-T95 HydrophobicContact CB-CG2 3.76Å; R93-T95 WeakPolarHBondContact CG-O 3.29Å; T95-N97 PolarHBondContact O-N 3.08Å; T95-N97 VanDerWaalsContact O-N 3.17Å; T95-N97 PolarHBondContact OG1-OD1 3.24Å; T95-C98 PolarHBondContact N-O 2.74Å; T95-C98 PolarHBondContact O-N 3.45Å; T95-C98 WeakPolarHBondContact OG1-CB 3.26Å; T95-C98 PolarHBondContact OG1-N 2.93Å
96W94.4Very high93.4Very high95 Ų9536.9 Ų36.936%0.3617%0.171SC..THydrogen-bonded Turntrans-58.1-29.2175.875.8-91.6000112.6W132 P134 P235 Q238W96-W132 AromaticContact CZ3-NE1 3.72Å; W96-W132 WeakPolarHBondContact O-CZ2 3.28Å; W96-P134 HydrophobicContact CH2-CG 4.24Å; W96-P235 HydrophobicContact CB-CB 4Å; W96-P235 HydrophobicContact CB-CG 3.99Å; W96-P235 HydrophobicContact CD2-CG 4.07Å; W96-P235 HydrophobicContact CE3-CG 3.76Å; W96-P235 HydrophobicContact CG-CG 4.21Å; W96-Q238 PolarHBondContact O-NE2 2.82Å
97N96.5Very high92.9Very high12 Ų1233 Ų336%0.06416%0.157CC..THydrogen-bonded Turntrans-110.217.7-178.568.4-27.3000114.1T95 A131 W132 Q133T95-N97 PolarHBondContact O-N 3.08Å; T95-N97 VanDerWaalsContact O-N 3.17Å; T95-N97 PolarHBondContact OG1-OD1 3.24Å; N97-A131 VanDerWaalsContact O-CA 3.28Å; N97-A131 WeakPolarHBondContact O-CA 3.44Å; N97-W132 VanDerWaalsContact CA-CE2 3.49Å; N97-W132 HydrophobicContact CB-CD2 4.12Å; N97-W132 HydrophobicContact CB-CG 4.29Å; N97-W132 HydrophobicContact CB-CZ2 4.43Å; N97-W132 VanDerWaalsContact CB-O 3.24Å; N97-W132 WeakPolarHBondContact CB-O 3.09Å; N97-W132 PolarHBondContact ND2-O 3.48Å; N97-W132 PolarHBondContact O-N 3.24Å; N97-Q133 PolarHBondContact ND2-OE1 3.49Å
98C97.1Very high92Very high0 Ų032.6 Ų32.60%016%0.155CC..EExtended strand (participates in β ladder)trans-152.8129.9179-1710000112.9P12 I94 T95 L129 R130 A131P12-C98 HydrophobicContact CG-CB 3.82Å; I94-C98 HydrophobicContact CB-CB 4.26Å; I94-C98 PolarHBondContact N-O 3.48Å; T95-C98 PolarHBondContact N-O 2.74Å; T95-C98 PolarHBondContact O-N 3.45Å; T95-C98 WeakPolarHBondContact OG1-CB 3.26Å; T95-C98 PolarHBondContact OG1-N 2.93Å; C98-L129 VanDerWaalsContact SG-CD2 3.59Å; C98-R130 VanDerWaalsContact CA-O 3.28Å; C98-R130 WeakPolarHBondContact CA-O 3.4Å; C98-R130 PolarHBondContact SG-O 2.83Å; C98-R130 VanDerWaalsContact SG-O 3.37Å; C98-A131 HydrophobicContact CB-CB 4.23Å
99Y96.9Very high90.9Very high13 Ų1334.4 Ų34.45%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-142.9166.8175.760.3-111.4000111.2E90 C92 E101 L129 R130 W132E90-Y99 HydrophobicContact CG-CD2 4.23Å; E90-Y99 HydrophobicContact CG-CE2 4.3Å; E90-Y99 HydrophobicContact CG-CG 4.4Å; C92-Y99 CarbonylContact O-C 3.57Å; C92-Y99 WeakPolarHBondContact O-CA 3.37Å; C92-Y99 WeakPolarHBondContact O-CB 3.45Å; Y99-E101 HydrophobicContact CD2-CB 3.98Å; Y99-E101 HydrophobicContact CD2-CG 4.4Å; Y99-E101 HydrophobicContact CE2-CB 3.68Å; Y99-E101 HydrophobicContact CE2-CG 3.84Å; Y99-E101 VanDerWaalsContact CE2-OE2 3.31Å; Y99-E101 WeakPolarHBondContact CE2-OE2 3.45Å; Y99-E101 PolarHBondContact OH-OE2 3.06Å; Y99-L129 WeakPolarHBondContact O-CA 3.43Å; Y99-R130 HydrophobicContact CD2-CB 4.42Å; Y99-R130 HydrophobicContact CE2-CB 3.94Å; Y99-R130 PolarHBondContact N-O 2.84Å; Y99-R130 VanDerWaalsContact N-O 3.09Å; Y99-R130 PolarHBondContact O-N 3.37Å; Y99-R130 WeakPolarHBondContact OH-CD 3.22Å; Y99-R130 PolarHBondContact OH-NH1 2.84Å; Y99-W132 AromaticContact CD1-CH2 3.49Å; Y99-W132 HydrophobicContact CD1-CH2 3.49Å; Y99-W132 VanDerWaalsContact CD1-CH2 3.49Å; Y99-W132 AromaticContact CD1-CZ3 3.43Å; Y99-W132 HydrophobicContact CD1-CZ3 3.43Å; Y99-W132 VanDerWaalsContact CD1-CZ3 3.43Å; Y99-W132 HydrophobicContact CE1-CE3 4.44Å; Y99-W132 AromaticContact CE1-CH2 3.47Å; Y99-W132 HydrophobicContact CE1-CH2 3.47Å; Y99-W132 VanDerWaalsContact CE1-CH2 3.47Å; Y99-W132 AromaticContact CE1-CZ3 3.29Å; Y99-W132 HydrophobicContact CE1-CZ3 3.29Å; Y99-W132 HydrophobicContact CG-CZ3 4.45Å
100I97.3Very high89.7Confident0 Ų032.8 Ų32.80%015%0.146CC..EExtended strand (participates in β ladder)trans-101.7128.4166.6-62177.3000108.3V9 I91 C92 I94 V127 L128 L129 V146 L245 I250V9-I100 HydrophobicContact CG1-CD1 4.19Å; V9-I100 HydrophobicContact CG2-CD1 4.3Å; I91-I100 HydrophobicContact CB-CG2 4.34Å; I91-I100 WeakPolarHBondContact CB-O 3.35Å; I91-I100 PolarHBondContact N-O 3.44Å; C92-I100 PolarHBondContact N-O 3.2Å; C92-I100 PolarHBondContact O-N 2.88Å; I94-I100 HydrophobicContact CD1-CD1 4.44Å; I94-I100 HydrophobicContact CD1-CG1 4.19Å; I100-V127 HydrophobicContact CG2-CG1 3.78Å; I100-L128 CarbonylContact C-O 3.56Å; I100-L128 VanDerWaalsContact CA-O 3.26Å; I100-L128 WeakPolarHBondContact CA-O 3.37Å; I100-L129 HydrophobicContact CG1-CB 4.37Å; I100-V146 HydrophobicContact CD1-CG2 3.96Å; I100-V146 HydrophobicContact CG1-CG2 4.11Å; I100-V146 HydrophobicContact CG2-CG2 3.85Å; I100-L245 HydrophobicContact CD1-CD1 4.06Å; I100-I250 HydrophobicContact CD1-CD1 3.77Å
101E95.9Very high88.4Confident11 Ų1129.8 Ų29.85%0.05113%0.132CC..EExtended strand (participates in β ladder)trans-120.6150.3175.463.6-174173.300111.6T89 Y99 V127 L128 R130T89-E101 CarbonylContact O-C 3.49Å; T89-E101 VanDerWaalsContact O-CA 3.29Å; T89-E101 WeakPolarHBondContact O-CA 3.31Å; Y99-E101 HydrophobicContact CD2-CB 3.98Å; Y99-E101 HydrophobicContact CD2-CG 4.4Å; Y99-E101 HydrophobicContact CE2-CB 3.68Å; Y99-E101 HydrophobicContact CE2-CG 3.84Å; Y99-E101 VanDerWaalsContact CE2-OE2 3.31Å; Y99-E101 WeakPolarHBondContact CE2-OE2 3.45Å; Y99-E101 PolarHBondContact OH-OE2 3.06Å; E101-V127 CarbonylContact O-C 3.5Å; E101-V127 WeakPolarHBondContact O-CA 3.44Å; E101-L128 HydrophobicContact CG-CB 4.01Å; E101-L128 PolarHBondContact N-O 3.3Å; E101-L128 PolarHBondContact O-N 3.19Å; E101-R130 WeakPolarHBondContact OE1-CD 3.43Å
102H95.7Very high86.6Confident9 Ų930.6 Ų30.64%0.04214%0.139CC..EExtended strand (participates in β ladder)trans-88133.8157.1176.1-89.1000108.7E87 S88 T89 I91 D125 F126 V151 R154E87-H102 IonicContact OE1-CE1 2.69Å; E87-H102 PolarHBondContact OE1-CE1 3.12Å; S88-H102 VanDerWaalsContact CA-O 3.27Å; S88-H102 WeakPolarHBondContact CA-O 3.34Å; T89-H102 PolarHBondContact N-O 3.47Å; T89-H102 PolarHBondContact O-N 3.25Å; I91-H102 HydrophobicContact CD1-CB 3.98Å; I91-H102 HydrophobicContact CG1-CB 4.25Å; H102-D125 IonicContact CD2-OD2 2.66Å; H102-D125 WeakPolarHBondContact NE2-CB 3.31Å; H102-D125 IonicContact NE2-OD2 2.99Å; H102-D125 PolarHBondContact NE2-OD2 3.34Å; H102-F126 WeakPolarHBondContact CA-O 3.42Å; H102-V151 HydrophobicContact CB-CG1 4.18Å; H102-R154 PolarHBondContact CE1-NH2 3.44Å; H102-R154 PolarHBondContact NE2-NH2 2.88Å
103F93Very high85.1Confident28 Ų2836.8 Ų36.812%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-130.9112.7176.6-176.5-96.9000110.2M85 C105 D125 F126 L128M85-F103 HydrophobicContact CB-CE2 4.1Å; M85-F103 HydrophobicContact CB-CZ 4.06Å; M85-F103 HydrophobicContact CG-CE2 3.72Å; M85-F103 HydrophobicContact CG-CZ 4.16Å; M85-F103 HydrophobicContact SD-CE2 4.04Å; F103-C105 HydrophobicContact CD1-CB 4.35Å; F103-C105 HydrophobicContact CE1-CB 3.91Å; F103-D125 CarbonylContact O-C 3.55Å; F103-D125 VanDerWaalsContact O-CA 3.3Å; F103-D125 WeakPolarHBondContact O-CA 3.44Å; F103-F126 HydrophobicContact CD1-CD2 4.09Å; F103-F126 PolarHBondContact N-O 2.8Å; F103-F126 PolarHBondContact O-N 2.83Å; F103-L128 HydrophobicContact CB-CD1 4.18Å
104G91.2Very high83.6Confident0 Ų035.8 Ų35.80%016%0.164CC..EExtended strand (participates in β ladder)trans-92.5129.5172.900000111.3R86 E87R86-G104 WeakPolarHBondContact CB-O 3.5Å; R86-G104 PolarHBondContact N-O 2.77Å; E87-G104 PolarHBondContact N-O 3.18Å; E87-G104 PolarHBondContact O-N 2.88Å
105C86.3Confident82.1Confident9 Ų935 Ų356%0.06116%0.161CC..EExtended strand (participates in β ladder)trans-118.7128.8-177.4-179.50000111.7T84 F103 F107 N123 R124 F126T84-C105 CarbonylContact O-C 3.55Å; T84-C105 VanDerWaalsContact O-CA 3.27Å; T84-C105 WeakPolarHBondContact O-CA 3.18Å; F103-C105 HydrophobicContact CD1-CB 4.35Å; F103-C105 HydrophobicContact CE1-CB 3.91Å; C105-F107 PolarHBondContact O-N 3Å; C105-N123 WeakPolarHBondContact O-CB 3.41Å; C105-R124 WeakPolarHBondContact CA-O 3.37Å; C105-R124 PolarHBondContact N-O 2.73Å; C105-R124 PolarHBondContact O-N 2.87Å; C105-F126 HydrophobicContact CB-CE2 4.25Å
106R82.7Confident80.6Confident104 Ų10442 Ų4239%0.39218%0.183SC..  trans-69.575.1167-59.6-163.9-173.990.45.6110N83 T84 M85 R86 Q108 Y109 N123N83-R106 PolarHBondContact O-NH1 2.99Å; T84-R106 PolarHBondContact O-N 2.69Å; M85-R106 PolarHBondContact O-NH1 2.86Å; R86-R106 HydrophobicContact CB-CG 3.82Å; R86-R106 HydrophobicContact CG-CG 4.34Å; R106-Q108 PolarHBondContact O-N 3.23Å; R106-Y109 VanDerWaalsContact O-CB 3.26Å; R106-Y109 WeakPolarHBondContact O-CB 3.28Å; R106-Y109 PolarHBondContact O-N 2.9Å; R106-N123 WeakPolarHBondContact CA-OD1 3.19Å
107F75.6Confident79.1Confident25 Ų2537.7 Ų37.711%0.1117%0.167CC..Hα-helixtrans-57.6-33.1177.2-164.8-106.4000111.9C105 Y109 I110 L111 F121 N123 R124 P187 I191C105-F107 PolarHBondContact O-N 3Å; F107-Y109 PolarHBondContact O-N 3.23Å; F107-I110 HydrophobicContact CD2-CD1 4.44Å; F107-I110 PolarHBondContact O-N 2.94Å; F107-I110 VanDerWaalsContact O-N 3.15Å; F107-L111 HydrophobicContact CD1-CD1 3.76Å; F107-L111 HydrophobicContact CD1-CG 4.16Å; F107-L111 HydrophobicContact CE1-CD1 3.6Å; F107-L111 HydrophobicContact CE1-CD2 4.38Å; F107-L111 HydrophobicContact CE1-CG 3.99Å; F107-L111 PolarHBondContact O-N 3.41Å; F107-L111 VanDerWaalsContact O-N 3.17Å; F107-F121 HydrophobicContact CD1-CB 4.22Å; F107-N123 PolarHBondContact N-OD1 3.03Å; F107-R124 HydrophobicContact CB-CB 4.38Å; F107-R124 HydrophobicContact CB-CG 4.43Å; F107-R124 HydrophobicContact CD2-CG 4.25Å; F107-R124 HydrophobicContact CG-CG 4.35Å; F107-P187 HydrophobicContact CD2-CB 4.49Å; F107-P187 HydrophobicContact CE2-CB 3.61Å; F107-P187 HydrophobicContact CE2-CG 4.4Å; F107-P187 HydrophobicContact CZ-CB 3.76Å; F107-P187 HydrophobicContact CZ-CG 4.24Å; F107-I191 HydrophobicContact CE1-CD1 3.74Å; F107-I191 HydrophobicContact CZ-CD1 4.18Å
108Q69.5Low77.3Confident50 Ų5042 Ų4223%0.23420%0.196CC..Hα-helixtrans-53.8-39.2171.4-171.758.734.700113.1R106 I110 L111 T112 F119 F121R106-Q108 PolarHBondContact O-N 3.23Å; Q108-I110 VanDerWaalsContact C-N 3.34Å; Q108-I110 PolarHBondContact O-N 3.23Å; Q108-L111 PolarHBondContact O-N 3.33Å; Q108-T112 PolarHBondContact NE2-OG1 3.33Å; Q108-T112 WeakPolarHBondContact O-CB 3.46Å; Q108-T112 PolarHBondContact O-N 3.36Å; Q108-T112 PolarHBondContact O-OG1 3.35Å; Q108-F119 PolarHBondContact NE2-O 2.86Å; Q108-F119 PolarHBondContact OE1-O 2.95Å; Q108-F121 PolarHBondContact OE1-O 3.12Å
109Y68.1Low75.8Confident66 Ų6645.5 Ų45.526%0.25921%0.211SC..Hα-helixtrans-62.5-43.9-179.9179.2-88000111.2N83 T84 R106 F107 L111 F113 V114N83-Y109 HydrophobicContact CB-CD1 3.91Å; N83-Y109 HydrophobicContact CB-CD2 3.65Å; N83-Y109 HydrophobicContact CB-CE1 3.56Å; N83-Y109 HydrophobicContact CB-CE2 3.28Å; N83-Y109 HydrophobicContact CB-CG 3.95Å; N83-Y109 PolarHBondContact ND2-OH 3.47Å; T84-Y109 HydrophobicContact CG2-CD1 3.88Å; T84-Y109 HydrophobicContact CG2-CE1 4.48Å; R106-Y109 VanDerWaalsContact O-CB 3.26Å; R106-Y109 WeakPolarHBondContact O-CB 3.28Å; R106-Y109 PolarHBondContact O-N 2.9Å; F107-Y109 PolarHBondContact O-N 3.23Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.44Å; Y109-F113 HydrophobicContact CD2-CB 4.37Å; Y109-F113 AromaticContact CD2-CD2 3.34Å; Y109-F113 HydrophobicContact CD2-CD2 3.34Å; Y109-F113 AromaticContact CD2-CE2 3.92Å; Y109-F113 HydrophobicContact CD2-CE2 3.92Å; Y109-F113 HydrophobicContact CD2-CG 4.12Å; Y109-F113 HydrophobicContact CE1-CB 4.33Å; Y109-F113 HydrophobicContact CE2-CB 4Å; Y109-F113 AromaticContact CE2-CD2 3.52Å; Y109-F113 HydrophobicContact CE2-CD2 3.52Å; Y109-F113 HydrophobicContact CE2-CE2 4.2Å; Y109-F113 AromaticContact CE2-CG 3.87Å; Y109-F113 HydrophobicContact CE2-CG 3.87Å; Y109-F113 HydrophobicContact CG-CD2 4.02Å; Y109-F113 WeakPolarHBondContact O-CB 3.46Å; Y109-F113 PolarHBondContact O-N 2.97Å; Y109-V114 HydrophobicContact CD1-CG2 4.37Å; Y109-V114 HydrophobicContact CE1-CG2 4.06Å
110I68.2Low74.3Confident43 Ų4349.3 Ų49.322%0.22125%0.246CC..Iπ-helixtrans-59.7-48.6177.9-59.4175.4000109.2T84 F107 Q108 V114 V115T84-I110 HydrophobicContact CG2-CD1 4.08Å; T84-I110 HydrophobicContact CG2-CG1 3.64Å; F107-I110 HydrophobicContact CD2-CD1 4.44Å; F107-I110 PolarHBondContact O-N 2.94Å; F107-I110 VanDerWaalsContact O-N 3.15Å; Q108-I110 VanDerWaalsContact C-N 3.34Å; Q108-I110 PolarHBondContact O-N 3.23Å; I110-V114 HydrophobicContact CG2-CB 4.38Å; I110-V114 CarbonylContact O-C 3.38Å; I110-V114 WeakPolarHBondContact O-CA 3.5Å; I110-V114 VanDerWaalsContact O-CB 3.22Å; I110-V114 WeakPolarHBondContact O-CB 3.47Å; I110-V114 PolarHBondContact O-N 2.92Å; I110-V115 HydrophobicContact CG2-CG2 4.11Å; I110-V115 WeakPolarHBondContact O-CG2 3.44Å; I110-V115 PolarHBondContact O-N 3.01Å
111L65.8Low73.1Confident7 Ų751.2 Ų51.24%0.03725%0.254CS..Iπ-helixtrans-65.3-50.2-177.8-69.4-177.4000112.5F107 Q108 Y109 V115 R116 A117 F121 I191F107-L111 HydrophobicContact CD1-CD1 3.76Å; F107-L111 HydrophobicContact CD1-CG 4.16Å; F107-L111 HydrophobicContact CE1-CD1 3.6Å; F107-L111 HydrophobicContact CE1-CD2 4.38Å; F107-L111 HydrophobicContact CE1-CG 3.99Å; F107-L111 PolarHBondContact O-N 3.41Å; F107-L111 VanDerWaalsContact O-N 3.17Å; Q108-L111 PolarHBondContact O-N 3.33Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.44Å; L111-V115 CarbonylContact O-C 3.52Å; L111-V115 WeakPolarHBondContact O-CB 3.41Å; L111-V115 PolarHBondContact O-N 2.85Å; L111-R116 WeakPolarHBondContact O-CA 3.38Å; L111-R116 PolarHBondContact O-N 2.83Å; L111-A117 HydrophobicContact CB-CB 4.14Å; L111-A117 PolarHBondContact O-N 3.23Å; L111-F121 HydrophobicContact CD1-CB 3.94Å; L111-F121 HydrophobicContact CD1-CD2 3Å; L111-F121 HydrophobicContact CD1-CE2 3.47Å; L111-F121 VanDerWaalsContact CD1-CE2 3.47Å; L111-F121 HydrophobicContact CD1-CG 3.63Å; L111-F121 HydrophobicContact CD1-CZ 4.46Å; L111-F121 HydrophobicContact CG-CD2 4.45Å; L111-I191 HydrophobicContact CD1-CD1 4.31Å
112T59.5Low72.3Confident51 Ų5153.1 Ų53.131%0.31327%0.271SS..Iπ-helixtrans-71.9-47.6-177.1-60.40000113.1Q108 R116Q108-T112 PolarHBondContact NE2-OG1 3.33Å; Q108-T112 WeakPolarHBondContact O-CB 3.46Å; Q108-T112 PolarHBondContact O-N 3.36Å; Q108-T112 PolarHBondContact O-OG1 3.35Å; T112-R116 VanDerWaalsContact O-CA 3.26Å; T112-R116 WeakPolarHBondContact O-CA 3.32Å; T112-R116 PolarHBondContact O-N 2.94Å
113F64.9Low71.9Confident133 Ų13354.2 Ų54.258%0.58328%0.278SS*.Iπ-helixtrans-98.5-32.9-168.3-65.1-75.9000113.4Y109Y109-F113 HydrophobicContact CD2-CB 4.37Å; Y109-F113 AromaticContact CD2-CD2 3.34Å; Y109-F113 HydrophobicContact CD2-CD2 3.34Å; Y109-F113 AromaticContact CD2-CE2 3.92Å; Y109-F113 HydrophobicContact CD2-CE2 3.92Å; Y109-F113 HydrophobicContact CD2-CG 4.12Å; Y109-F113 HydrophobicContact CE1-CB 4.33Å; Y109-F113 HydrophobicContact CE2-CB 4Å; Y109-F113 AromaticContact CE2-CD2 3.52Å; Y109-F113 HydrophobicContact CE2-CD2 3.52Å; Y109-F113 HydrophobicContact CE2-CE2 4.2Å; Y109-F113 AromaticContact CE2-CG 3.87Å; Y109-F113 HydrophobicContact CE2-CG 3.87Å; Y109-F113 HydrophobicContact CG-CD2 4.02Å; Y109-F113 WeakPolarHBondContact O-CB 3.46Å; Y109-F113 PolarHBondContact O-N 2.97Å
114V64.1Low71.8Confident21 Ų2153.1 Ų53.113%0.12727%0.273CS..Iπ-helixtrans-91.4-42-179.2-165.40000110.4Y109 I110 V203 R206Y109-V114 HydrophobicContact CD1-CG2 4.37Å; Y109-V114 HydrophobicContact CE1-CG2 4.06Å; I110-V114 HydrophobicContact CG2-CB 4.38Å; I110-V114 CarbonylContact O-C 3.38Å; I110-V114 WeakPolarHBondContact O-CA 3.5Å; I110-V114 VanDerWaalsContact O-CB 3.22Å; I110-V114 WeakPolarHBondContact O-CB 3.47Å; I110-V114 PolarHBondContact O-N 2.92Å; V114-V203 HydrophobicContact CG1-CB 4.19Å; V114-V203 HydrophobicContact CG1-CG1 3.92Å; V114-V203 HydrophobicContact CG1-CG2 3.78Å; V114-R206 HydrophobicContact CG1-CB 4.48Å; V114-R206 PolarHBondContact O-NH1 2.99Å
115V65.2Low71.9Confident16 Ų1653.1 Ų53.110%0.09727%0.273CS..Iπ-helixtrans-97.8-23.9-174.5-179.30000111.5I110 L111 V203 V275 G276I110-V115 HydrophobicContact CG2-CG2 4.11Å; I110-V115 WeakPolarHBondContact O-CG2 3.44Å; I110-V115 PolarHBondContact O-N 3.01Å; L111-V115 CarbonylContact O-C 3.52Å; L111-V115 WeakPolarHBondContact O-CB 3.41Å; L111-V115 PolarHBondContact O-N 2.85Å; V115-V203 HydrophobicContact CG2-CG2 3.69Å; V115-V275 VanDerWaalsContact CG1-CA 3.42Å; V115-V275 HydrophobicContact CG1-CB 4.12Å; V115-V275 WeakPolarHBondContact CG1-O 3.47Å; V115-G276 VanDerWaalsContact O-CA 3.31Å; V115-G276 WeakPolarHBondContact O-CA 3.35Å
116R64.5Low72.3Confident189 Ų18953.8 Ų53.871%0.71328%0.275SS*.  trans64.638.8-175.8-56.1-178.3177.4164.4-5.3113.7L111 T112L111-R116 WeakPolarHBondContact O-CA 3.38Å; L111-R116 PolarHBondContact O-N 2.83Å; T112-R116 VanDerWaalsContact O-CA 3.26Å; T112-R116 WeakPolarHBondContact O-CA 3.32Å; T112-R116 PolarHBondContact O-N 2.94Å
117A63.2Low73Confident4 Ų448.9 Ų48.93%0.03326%0.256CS..  trans-85.4137.8172.800000111.4L111 F119 E274L111-A117 HydrophobicContact CB-CB 4.14Å; L111-A117 PolarHBondContact O-N 3.23Å; A117-F119 VanDerWaalsContact C-N 3.31Å; A117-F119 PolarHBondContact O-N 2.74Å; A117-E274 WeakPolarHBondContact CB-O 3.21Å
118P59.1Low74Confident103 Ų10348.1 Ų48.167%0.66925%0.253SS*.  trans-85.45.9-173.934.6-36.5000114.5K273P118-K273 WeakPolarHBondContact CD-O 3.48Å
119F65.1Low75.3Confident73 Ų7345.8 Ų45.832%0.3224%0.242SC..  trans-104.3146.1-171-58.6-78.2000112.9Q108 A117 F121 K273 E274Q108-F119 PolarHBondContact NE2-O 2.86Å; Q108-F119 PolarHBondContact OE1-O 2.95Å; A117-F119 VanDerWaalsContact C-N 3.31Å; A117-F119 PolarHBondContact O-N 2.74Å; F119-F121 HydrophobicContact CB-CD2 4.04Å; F119-F121 HydrophobicContact CB-CE2 3.62Å; F119-F121 HydrophobicContact CB-CZ 4.39Å; F119-K273 HydrophobicContact CE2-CB 4.35Å; F119-E274 HydrophobicContact CD2-CB 4.19Å; F119-E274 HydrophobicContact CD2-CG 3.46Å; F119-E274 VanDerWaalsContact CD2-CG 3.46Å; F119-E274 HydrophobicContact CE2-CB 4.33Å; F119-E274 HydrophobicContact CE2-CG 3.51Å; F119-E274 HydrophobicContact CG-CG 4.28Å; F119-E274 HydrophobicContact CZ-CG 4.37Å
120A65.9Low76.7Confident94 Ų9443.4 Ų43.478%0.77723%0.233SC*.  trans-84.9122.5170.100000109.9
121F70.8Confident78.1Confident40 Ų4041.4 Ų41.418%0.17522%0.223CC..  trans-120.4146.4172.8-73.5-90.2000109.8F107 Q108 L111 F119 I191 E274F107-F121 HydrophobicContact CD1-CB 4.22Å; Q108-F121 PolarHBondContact OE1-O 3.12Å; L111-F121 HydrophobicContact CD1-CB 3.94Å; L111-F121 HydrophobicContact CD1-CD2 3Å; L111-F121 HydrophobicContact CD1-CE2 3.47Å; L111-F121 VanDerWaalsContact CD1-CE2 3.47Å; L111-F121 HydrophobicContact CD1-CG 3.63Å; L111-F121 HydrophobicContact CD1-CZ 4.46Å; L111-F121 HydrophobicContact CG-CD2 4.45Å; F119-F121 HydrophobicContact CB-CD2 4.04Å; F119-F121 HydrophobicContact CB-CE2 3.62Å; F119-F121 HydrophobicContact CB-CZ 4.39Å; F121-I191 HydrophobicContact CD1-CD1 4.1Å; F121-I191 HydrophobicContact CD1-CG1 4.29Å; F121-I191 HydrophobicContact CE1-CD1 3.72Å; F121-I191 HydrophobicContact CE1-CG1 3.54Å; F121-I191 HydrophobicContact CE2-CD1 4.25Å; F121-I191 HydrophobicContact CZ-CD1 3.77Å; F121-I191 HydrophobicContact CZ-CG1 3.74Å; F121-E274 HydrophobicContact CZ-CG 4.15Å
122A79.7Confident79.6Confident50 Ų5041.2 Ų41.241%0.41322%0.222SC..  trans-53.5147.3172.300000110.9R124 V158A122-R124 PolarHBondContact O-NH1 2.74Å; A122-V158 HydrophobicContact CB-CG2 3.88Å
123N87.1Confident81.4Confident33 Ų3340.5 Ų40.518%0.17622%0.215CC..EExtended strand (participates in β ladder)trans-65.7161173.9-71.4-36.7000110R86 C105 R106 F107 Y157 V158R86-N123 PolarHBondContact NH1-ND2 3.21Å; R86-N123 VanDerWaalsContact NH1-ND2 3.16Å; C105-N123 WeakPolarHBondContact O-CB 3.41Å; R106-N123 WeakPolarHBondContact CA-OD1 3.19Å; F107-N123 PolarHBondContact N-OD1 3.03Å; N123-Y157 HydrophobicContact CB-CD1 3.56Å; N123-Y157 HydrophobicContact CB-CE1 3.6Å; N123-Y157 CarbonylContact O-C 3.4Å; N123-Y157 VanDerWaalsContact O-CA 3.31Å; N123-Y157 WeakPolarHBondContact O-CA 3.14Å; N123-V158 PolarHBondContact O-N 2.79Å
124R90.3Very high82.8Confident4 Ų436.1 Ų36.12%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-107.8147176.3-89.756.1177.9-173.70.9109.4C105 F107 A122 F126 Y157 V158 A160 P187 R188C105-R124 WeakPolarHBondContact CA-O 3.37Å; C105-R124 PolarHBondContact N-O 2.73Å; C105-R124 PolarHBondContact O-N 2.87Å; F107-R124 HydrophobicContact CB-CB 4.38Å; F107-R124 HydrophobicContact CB-CG 4.43Å; F107-R124 HydrophobicContact CD2-CG 4.25Å; F107-R124 HydrophobicContact CG-CG 4.35Å; A122-R124 PolarHBondContact O-NH1 2.74Å; R124-F126 HydrophobicContact CB-CE2 4.2Å; R124-Y157 WeakPolarHBondContact O-CD1 3.24Å; R124-V158 VanDerWaalsContact CA-O 3.28Å; R124-V158 WeakPolarHBondContact CA-O 3.35Å; R124-V158 HydrophobicContact CG-CB 4.46Å; R124-V158 WeakPolarHBondContact CG-O 3.16Å; R124-A160 HydrophobicContact CB-CB 4.07Å; R124-A160 HydrophobicContact CG-CB 3.79Å; R124-P187 WeakPolarHBondContact CG-O 3.29Å; R124-P187 PolarHBondContact NE-O 3.06Å; R124-R188 PolarHBondContact NH2-O 3.33Å
125D94Very high84.3Confident0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-127.7159.5166.380.8-21.6000111.6H102 F103 R154 Y157 V158 R159 A160H102-D125 IonicContact CD2-OD2 2.66Å; H102-D125 WeakPolarHBondContact NE2-CB 3.31Å; H102-D125 IonicContact NE2-OD2 2.99Å; H102-D125 PolarHBondContact NE2-OD2 3.34Å; F103-D125 CarbonylContact O-C 3.55Å; F103-D125 VanDerWaalsContact O-CA 3.3Å; F103-D125 WeakPolarHBondContact O-CA 3.44Å; D125-R154 IonicContact OD2-NH2 2.68Å; D125-Y157 HydrophobicContact CB-CD1 3.84Å; D125-Y157 HydrophobicContact CB-CD2 4.21Å; D125-Y157 HydrophobicContact CB-CE1 4.43Å; D125-Y157 HydrophobicContact CB-CG 3.72Å; D125-V158 PolarHBondContact N-O 2.89Å; D125-R159 VanDerWaalsContact OD1-CA 3.29Å; D125-R159 WeakPolarHBondContact OD1-CA 3.3Å; D125-R159 WeakPolarHBondContact OD1-CD 3.35Å; D125-R159 IonicContact OD1-CZ 3.66Å; D125-R159 IonicContact OD1-NE 3.63Å; D125-R159 PolarHBondContact OD1-NE 2.96Å; D125-R159 IonicContact OD1-NH2 3.34Å; D125-R159 IonicContact OD2-CZ 2.76Å; D125-R159 IonicContact OD2-NE 2.88Å; D125-R159 IonicContact OD2-NH2 3.44Å; D125-R159 PolarHBondContact OD2-NH2 2.81Å; D125-A160 PolarHBondContact O-N 2.91Å
126F95.1Very high85.5Confident24 Ų2445.6 Ų45.611%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-135.7148.2-179.5-56-98.9000109H102 F103 C105 R124 L128 A160 T162H102-F126 WeakPolarHBondContact CA-O 3.42Å; F103-F126 HydrophobicContact CD1-CD2 4.09Å; F103-F126 PolarHBondContact N-O 2.8Å; F103-F126 PolarHBondContact O-N 2.83Å; C105-F126 HydrophobicContact CB-CE2 4.25Å; R124-F126 HydrophobicContact CB-CE2 4.2Å; F126-L128 HydrophobicContact CB-CD1 4.05Å; F126-L128 HydrophobicContact CB-CD2 3.83Å; F126-L128 HydrophobicContact CB-CG 3.68Å; F126-L128 HydrophobicContact CD1-CD2 4.43Å; F126-L128 HydrophobicContact CG-CD2 4.45Å; F126-A160 HydrophobicContact CD1-CB 3.84Å; F126-A160 HydrophobicContact CE1-CB 3.25Å; F126-A160 HydrophobicContact CE2-CB 4.1Å; F126-A160 HydrophobicContact CG-CB 4.49Å; F126-A160 HydrophobicContact CZ-CB 3.4Å; F126-T162 VanDerWaalsContact CD1-OG1 3.31Å; F126-T162 WeakPolarHBondContact CD1-OG1 3.49Å; F126-T162 WeakPolarHBondContact CE1-OG1 3.38Å
127V96.9Very high86.8Confident1 Ų142.2 Ų42.21%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-112.8111.5163.3-177.90000105.9I100 E101 S145 V146 H148 V151I100-V127 HydrophobicContact CG2-CG1 3.78Å; E101-V127 CarbonylContact O-C 3.5Å; E101-V127 WeakPolarHBondContact O-CA 3.44Å; V127-S145 VanDerWaalsContact O-CA 3.25Å; V127-S145 WeakPolarHBondContact O-CA 3.44Å; V127-V146 WeakPolarHBondContact CB-O 3.27Å; V127-V146 HydrophobicContact CG1-CG2 3.95Å; V127-V146 PolarHBondContact O-N 3.43Å; V127-H148 HydrophobicContact CG1-CB 4Å; V127-V151 HydrophobicContact CG2-CB 3.99Å; V127-V151 HydrophobicContact CG2-CG1 3.68Å
128L96.9Very high88.4Confident9 Ų942.8 Ų42.85%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-117.9128.2-166.9-62.5174.5000110I100 E101 F103 F126 N143 R144 T162I100-L128 CarbonylContact C-O 3.56Å; I100-L128 VanDerWaalsContact CA-O 3.26Å; I100-L128 WeakPolarHBondContact CA-O 3.37Å; E101-L128 HydrophobicContact CG-CB 4.01Å; E101-L128 PolarHBondContact N-O 3.3Å; E101-L128 PolarHBondContact O-N 3.19Å; F103-L128 HydrophobicContact CB-CD1 4.18Å; F126-L128 HydrophobicContact CB-CD1 4.05Å; F126-L128 HydrophobicContact CB-CD2 3.83Å; F126-L128 HydrophobicContact CB-CG 3.68Å; F126-L128 HydrophobicContact CD1-CD2 4.43Å; F126-L128 HydrophobicContact CG-CD2 4.45Å; L128-N143 HydrophobicContact CB-CB 4.36Å; L128-R144 CarbonylContact C-O 3.56Å; L128-R144 WeakPolarHBondContact CA-O 3.37Å; L128-T162 HydrophobicContact CD2-CG2 4.37Å
129L97.2Very high90.2Very high1 Ų138.9 Ų38.91%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-79.5121.6155.4179.8157.6000106.8V9 I94 C98 Y99 I100 A131 N143 R144 V146V9-L129 HydrophobicContact CG1-CD1 4.38Å; I94-L129 HydrophobicContact CD1-CD1 3.56Å; I94-L129 HydrophobicContact CD1-CG 4.12Å; C98-L129 VanDerWaalsContact SG-CD2 3.59Å; Y99-L129 WeakPolarHBondContact O-CA 3.43Å; I100-L129 HydrophobicContact CG1-CB 4.37Å; L129-A131 HydrophobicContact CD2-CB 4.36Å; L129-N143 CarbonylContact O-C 3.33Å; L129-N143 WeakPolarHBondContact O-CA 3.5Å; L129-N143 WeakPolarHBondContact O-CB 3.34Å; L129-R144 HydrophobicContact CB-CG 4.46Å; L129-R144 PolarHBondContact N-O 2.86Å; L129-R144 PolarHBondContact O-N 3.25Å; L129-V146 HydrophobicContact CB-CG1 3.58Å; L129-V146 HydrophobicContact CB-CG2 4.28Å; L129-V146 HydrophobicContact CD1-CG1 4.4Å
130R97.4Very high91.8Very high16 Ų1635.4 Ų35.46%0.0619%0.19CC..EExtended strand (participates in β ladder)trans-114131.5176.4-175.1168.2177-78-1.8108.9L72 H73 C98 Y99 E101 I141 F142 N143L72-R130 PolarHBondContact O-NH2 2.97Å; H73-R130 PolarHBondContact CE1-NH1 3.21Å; H73-R130 PolarHBondContact CE1-NH2 3.28Å; H73-R130 PolarHBondContact ND1-NH1 2.83Å; H73-R130 PolarHBondContact ND1-NH2 3.48Å; H73-R130 VanDerWaalsContact ND1-NH2 3.16Å; C98-R130 VanDerWaalsContact CA-O 3.28Å; C98-R130 WeakPolarHBondContact CA-O 3.4Å; C98-R130 PolarHBondContact SG-O 2.83Å; C98-R130 VanDerWaalsContact SG-O 3.37Å; Y99-R130 HydrophobicContact CD2-CB 4.42Å; Y99-R130 HydrophobicContact CE2-CB 3.94Å; Y99-R130 PolarHBondContact N-O 2.84Å; Y99-R130 VanDerWaalsContact N-O 3.09Å; Y99-R130 PolarHBondContact O-N 3.37Å; Y99-R130 WeakPolarHBondContact OH-CD 3.22Å; Y99-R130 PolarHBondContact OH-NH1 2.84Å; E101-R130 WeakPolarHBondContact OE1-CD 3.43Å; R130-I141 HydrophobicContact CG-CG2 4.45Å; R130-F142 WeakPolarHBondContact CA-O 3.33Å; R130-N143 HydrophobicContact CB-CB 4.16Å; R130-N143 HydrophobicContact CG-CB 4.34Å
131A97.4Very high93.3Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-132150177.500000110.5P12 F17 N97 C98 L129 I141 F142P12-A131 HydrophobicContact CB-CB 3.98Å; P12-A131 HydrophobicContact CG-CB 4.15Å; F17-A131 HydrophobicContact CE1-CB 4.36Å; F17-A131 HydrophobicContact CZ-CB 4.17Å; N97-A131 VanDerWaalsContact O-CA 3.28Å; N97-A131 WeakPolarHBondContact O-CA 3.44Å; C98-A131 HydrophobicContact CB-CB 4.23Å; L129-A131 HydrophobicContact CD2-CB 4.36Å; A131-I141 WeakPolarHBondContact O-CA 3.41Å; A131-F142 HydrophobicContact CB-CD2 4.34Å; A131-F142 HydrophobicContact CB-CE1 4.46Å; A131-F142 HydrophobicContact CB-CE2 3.73Å; A131-F142 HydrophobicContact CB-CZ 3.8Å; A131-F142 PolarHBondContact N-O 2.78Å; A131-F142 PolarHBondContact O-N 2.83Å
132W97.7Very high94.5Very high4 Ų429 Ų292%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-144.3154.8177.86395.5000112.6F17 H73 W96 N97 Y99 I140 I141 W232F17-W132 VanDerWaalsContact CE1-C 3.44Å; F17-W132 WeakPolarHBondContact CZ-O 3.4Å; H73-W132 AromaticContact CE1-CD1 3.83Å; H73-W132 AromaticContact CE1-CD2 3.44Å; H73-W132 VanDerWaalsContact CE1-CD2 3.44Å; H73-W132 AromaticContact CE1-CE2 3.81Å; H73-W132 AromaticContact CE1-CE3 3.88Å; H73-W132 AromaticContact CE1-CG 3.43Å; H73-W132 VanDerWaalsContact CE1-CG 3.43Å; H73-W132 AromaticContact NE2-CG 3.81Å; W96-W132 AromaticContact CZ3-NE1 3.72Å; W96-W132 WeakPolarHBondContact O-CZ2 3.28Å; N97-W132 VanDerWaalsContact CA-CE2 3.49Å; N97-W132 HydrophobicContact CB-CD2 4.12Å; N97-W132 HydrophobicContact CB-CG 4.29Å; N97-W132 HydrophobicContact CB-CZ2 4.43Å; N97-W132 VanDerWaalsContact CB-O 3.24Å; N97-W132 WeakPolarHBondContact CB-O 3.09Å; N97-W132 PolarHBondContact ND2-O 3.48Å; N97-W132 PolarHBondContact O-N 3.24Å; Y99-W132 AromaticContact CD1-CH2 3.49Å; Y99-W132 HydrophobicContact CD1-CH2 3.49Å; Y99-W132 VanDerWaalsContact CD1-CH2 3.49Å; Y99-W132 AromaticContact CD1-CZ3 3.43Å; Y99-W132 HydrophobicContact CD1-CZ3 3.43Å; Y99-W132 VanDerWaalsContact CD1-CZ3 3.43Å; Y99-W132 HydrophobicContact CE1-CE3 4.44Å; Y99-W132 AromaticContact CE1-CH2 3.47Å; Y99-W132 HydrophobicContact CE1-CH2 3.47Å; Y99-W132 VanDerWaalsContact CE1-CH2 3.47Å; Y99-W132 AromaticContact CE1-CZ3 3.29Å; Y99-W132 HydrophobicContact CE1-CZ3 3.29Å; Y99-W132 HydrophobicContact CG-CZ3 4.45Å; W132-I140 CarbonylContact C-O 3.47Å; W132-I140 WeakPolarHBondContact CA-O 3.4Å; W132-I141 HydrophobicContact CB-CB 4.49Å; W132-I141 HydrophobicContact CB-CG1 4Å; W132-W232 HydrophobicContact CZ2-CB 4.47Å; W132-W232 PolarHBondContact NE1-O 2.82Å; W132-W232 VanDerWaalsContact NE1-O 3.13Å
133Q96.5Very high95.3Very high36 Ų3627.5 Ų27.517%0.16813%0.129CC..EExtended strand (participates in β ladder)trans-145.6116.6174.4-173.860.740.700109.4F17 N97 Y135 I140F17-Q133 HydrophobicContact CD1-CB 3.62Å; F17-Q133 HydrophobicContact CD2-CB 3.97Å; F17-Q133 HydrophobicContact CD2-CG 4.42Å; F17-Q133 HydrophobicContact CE1-CB 3.58Å; F17-Q133 HydrophobicContact CE2-CB 3.9Å; F17-Q133 HydrophobicContact CG-CB 3.84Å; F17-Q133 HydrophobicContact CZ-CB 3.72Å; N97-Q133 PolarHBondContact ND2-OE1 3.49Å; Q133-Y135 HydrophobicContact CB-CE2 3.94Å; Q133-Y135 HydrophobicContact CG-CD2 4.2Å; Q133-Y135 HydrophobicContact CG-CE1 4.05Å; Q133-Y135 HydrophobicContact CG-CE2 3.54Å; Q133-Y135 VanDerWaalsContact CG-CZ 3.47Å; Q133-I140 PolarHBondContact N-O 2.86Å; Q133-I140 PolarHBondContact O-N 3.3Å
134P95.2Very high95.7Very high40 Ų4026.3 Ų26.326%0.2612%0.122SC..EExtended strand (participates in β ladder)trans-80.8134.5166.832.4-31.4000110.2W96 Y139W96-P134 HydrophobicContact CH2-CG 4.24Å; P134-Y139 HydrophobicContact CB-CD1 3.73Å; P134-Y139 HydrophobicContact CB-CE1 3.85Å
135Y94.5Very high96Very high68 Ų6826.2 Ų26.227%0.26712%0.122SC..  trans-116.4175.5164.9-56.7-90.2000108.6F17 Q133 H137 E138 I140F17-Y135 WeakPolarHBondContact CB-OH 3.33Å; Q133-Y135 HydrophobicContact CB-CE2 3.94Å; Q133-Y135 HydrophobicContact CG-CD2 4.2Å; Q133-Y135 HydrophobicContact CG-CE1 4.05Å; Q133-Y135 HydrophobicContact CG-CE2 3.54Å; Q133-Y135 VanDerWaalsContact CG-CZ 3.47Å; Y135-H137 VanDerWaalsContact C-N 3.34Å; Y135-H137 PolarHBondContact O-N 3.39Å; Y135-E138 CarbonylContact C-O 3.53Å; Y135-E138 WeakPolarHBondContact CA-O 3.25Å; Y135-E138 VanDerWaalsContact CB-O 3.32Å; Y135-E138 WeakPolarHBondContact CB-O 3.02Å; Y135-E138 PolarHBondContact N-O 2.86Å; Y135-I140 HydrophobicContact CE2-CD1 3.86Å; Y135-I140 HydrophobicContact CE2-CG1 4.2Å
136E90.3Very high96.1Very high169 Ų16926.3 Ų26.379%0.7912%0.123SC*.SBendtrans-56.7-42.1-174.3-167.6-179.1177.200113.9
137H92.5Very high96.1Very high117 Ų11725.5 Ų25.554%0.54212%0.119SC..SBendtrans-129.48-177.3-59.4-35.4000113.6Y135 A171Y135-H137 VanDerWaalsContact C-N 3.34Å; Y135-H137 PolarHBondContact O-N 3.39Å; H137-A171 HydrophobicContact CB-CB 4.33Å; H137-A171 PolarHBondContact O-N 3.18Å
138E96.7Very high96.1Very high16 Ų1625.6 Ų25.68%0.07512%0.12CC..EExtended strand (participates in β ladder)trans-141.9142-175.7-161.6-178.863.200109.8K21 K25 Y135 V168 I169K21-E138 VanDerWaalsContact CD-OE1 3.26Å; K21-E138 WeakPolarHBondContact CD-OE1 3.21Å; K21-E138 WeakPolarHBondContact CE-OE1 3.21Å; K21-E138 WeakPolarHBondContact CE-OE2 3.12Å; K21-E138 VanDerWaalsContact NZ-CD 3.27Å; K21-E138 IonicContact NZ-OE1 3.89Å; K21-E138 PolarHBondContact NZ-OE1 2.98Å; K21-E138 IonicContact NZ-OE2 2.86Å; K21-E138 PolarHBondContact NZ-OE2 3.31Å; K21-E138 VanDerWaalsContact NZ-OE2 3.13Å; K25-E138 IonicContact NZ-OE2 3.78Å; K25-E138 PolarHBondContact NZ-OE2 3.47Å; Y135-E138 CarbonylContact C-O 3.53Å; Y135-E138 WeakPolarHBondContact CA-O 3.25Å; Y135-E138 VanDerWaalsContact CB-O 3.32Å; Y135-E138 WeakPolarHBondContact CB-O 3.02Å; Y135-E138 PolarHBondContact N-O 2.86Å; E138-V168 HydrophobicContact CG-CG1 3.92Å; E138-I169 CarbonylContact C-O 3.51Å; E138-I169 WeakPolarHBondContact CA-O 3.4Å
139Y97.8Very high96Very high22 Ų2230.7 Ų30.79%0.08614%0.141CC..EExtended strand (participates in β ladder)trans-126.4135.1174.6-56-91.6000109.4H66 Y69 P134 V168 I169H66-Y139 HydrophobicContact CB-CE2 4.5Å; Y69-Y139 AromaticContact CD1-CD1 3.74Å; Y69-Y139 HydrophobicContact CD1-CD1 3.74Å; Y69-Y139 AromaticContact CD1-CE1 3.81Å; Y69-Y139 HydrophobicContact CD1-CE1 3.81Å; Y69-Y139 HydrophobicContact CD1-CG 4.45Å; Y69-Y139 VanDerWaalsContact CD2-CB 3.43Å; Y69-Y139 AromaticContact CD2-CD1 3.42Å; Y69-Y139 HydrophobicContact CD2-CD1 3.42Å; Y69-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y69-Y139 HydrophobicContact CD2-CE1 4.31Å; Y69-Y139 AromaticContact CD2-CG 3.58Å; Y69-Y139 HydrophobicContact CD2-CG 3.58Å; Y69-Y139 AromaticContact CE1-CD1 3.95Å; Y69-Y139 HydrophobicContact CE1-CD1 3.95Å; Y69-Y139 HydrophobicContact CE1-CE1 4.08Å; Y69-Y139 AromaticContact CE2-CD1 3.67Å; Y69-Y139 HydrophobicContact CE2-CD1 3.67Å; Y69-Y139 HydrophobicContact CE2-CG 4.19Å; Y69-Y139 AromaticContact CG-CD1 3.42Å; Y69-Y139 HydrophobicContact CG-CD1 3.42Å; Y69-Y139 VanDerWaalsContact CG-CD1 3.42Å; Y69-Y139 HydrophobicContact CG-CD2 4.38Å; Y69-Y139 AromaticContact CG-CE1 3.88Å; Y69-Y139 HydrophobicContact CG-CE1 3.88Å; Y69-Y139 AromaticContact CG-CG 3.71Å; Y69-Y139 HydrophobicContact CG-CG 3.71Å; Y69-Y139 AromaticContact CZ-CD1 3.92Å; P134-Y139 HydrophobicContact CB-CD1 3.73Å; P134-Y139 HydrophobicContact CB-CE1 3.85Å; Y139-V168 WeakPolarHBondContact O-CA 3.26Å; Y139-I169 HydrophobicContact CD2-CB 4.36Å; Y139-I169 PolarHBondContact N-O 3.18Å; Y139-I169 PolarHBondContact O-N 3.35Å
140I98Very high95.9Very high0 Ų037.2 Ų37.20%017%0.17CC..EExtended strand (participates in β ladder)trans-120.4130.9177.6-56.6179.9000108.9F17 F20 K21 W132 Q133 Y135 F142 Y167 V168F17-I140 HydrophobicContact CB-CD1 4.16Å; F17-I140 HydrophobicContact CD1-CB 4.05Å; F17-I140 HydrophobicContact CD1-CG2 3.82Å; F20-I140 HydrophobicContact CD1-CG2 3.62Å; F20-I140 HydrophobicContact CE1-CG2 4.11Å; K21-I140 HydrophobicContact CB-CD1 3.87Å; K21-I140 HydrophobicContact CD-CD1 4.27Å; K21-I140 HydrophobicContact CG-CD1 4.46Å; W132-I140 CarbonylContact C-O 3.47Å; W132-I140 WeakPolarHBondContact CA-O 3.4Å; Q133-I140 PolarHBondContact N-O 2.86Å; Q133-I140 PolarHBondContact O-N 3.3Å; Y135-I140 HydrophobicContact CE2-CD1 3.86Å; Y135-I140 HydrophobicContact CE2-CG1 4.2Å; I140-F142 HydrophobicContact CG2-CD1 4.22Å; I140-Y167 WeakPolarHBondContact CA-O 3.26Å; I140-V168 HydrophobicContact CG1-CG1 4.49Å; I140-V168 HydrophobicContact CG1-CG2 4.45Å
141I97.6Very high95.7Very high0 Ų037.2 Ų37.20%017%0.171CC..EExtended strand (participates in β ladder)trans-133.6130.5173.4-54.2168000106.7Y69 L72 H73 R130 A131 W132 G166 Y167Y69-I141 HydrophobicContact CD2-CD1 3.89Å; Y69-I141 HydrophobicContact CD2-CG1 4.26Å; Y69-I141 HydrophobicContact CE2-CD1 4.11Å; Y69-I141 HydrophobicContact CE2-CG1 4.11Å; L72-I141 HydrophobicContact CB-CD1 4.08Å; L72-I141 HydrophobicContact CD1-CD1 4.31Å; H73-I141 WeakPolarHBondContact NE2-CD1 3.29Å; R130-I141 HydrophobicContact CG-CG2 4.45Å; A131-I141 WeakPolarHBondContact O-CA 3.41Å; W132-I141 HydrophobicContact CB-CB 4.49Å; W132-I141 HydrophobicContact CB-CG1 4Å; I141-G166 CarbonylContact O-C 3.52Å; I141-G166 WeakPolarHBondContact O-CA 3.48Å; I141-Y167 HydrophobicContact CB-CD2 4.25Å; I141-Y167 HydrophobicContact CG2-CD2 4.49Å; I141-Y167 PolarHBondContact N-O 2.95Å; I141-Y167 PolarHBondContact O-N 2.86Å
142F96.8Very high95.5Very high0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-140.5160.1169.561.7-104.3000111.4F4 D16 F17 F20 R130 A131 I140 I164 T165F4-F142 HydrophobicContact CE1-CE2 4.49Å; F4-F142 HydrophobicContact CE1-CZ 4.41Å; F4-F142 AromaticContact CE2-CD2 3.96Å; F4-F142 HydrophobicContact CE2-CD2 3.96Å; F4-F142 AromaticContact CE2-CE2 3.93Å; F4-F142 HydrophobicContact CE2-CE2 3.93Å; F4-F142 HydrophobicContact CE2-CG 4.32Å; F4-F142 HydrophobicContact CE2-CZ 4.23Å; F4-F142 HydrophobicContact CZ-CD2 4.26Å; F4-F142 HydrophobicContact CZ-CE1 4.1Å; F4-F142 AromaticContact CZ-CE2 3.79Å; F4-F142 HydrophobicContact CZ-CE2 3.79Å; F4-F142 AromaticContact CZ-CZ 3.7Å; F4-F142 HydrophobicContact CZ-CZ 3.7Å; D16-F142 HydrophobicContact CB-CZ 4.23Å; F17-F142 HydrophobicContact CD1-CD1 4.09Å; F17-F142 AromaticContact CD1-CE1 3.46Å; F17-F142 HydrophobicContact CD1-CE1 3.46Å; F17-F142 VanDerWaalsContact CD1-CE1 3.46Å; F17-F142 HydrophobicContact CD1-CZ 4.39Å; F17-F142 HydrophobicContact CE1-CD1 4.18Å; F17-F142 AromaticContact CE1-CE1 3.5Å; F17-F142 HydrophobicContact CE1-CE1 3.5Å; F17-F142 VanDerWaalsContact CE1-CE1 3.5Å; F17-F142 HydrophobicContact CE1-CZ 4.11Å; F17-F142 HydrophobicContact CG-CE1 4.16Å; F17-F142 HydrophobicContact CZ-CE1 4.26Å; F17-F142 HydrophobicContact CZ-CZ 4.48Å; F20-F142 HydrophobicContact CB-CD1 4.27Å; F20-F142 HydrophobicContact CD1-CB 4.49Å; F20-F142 HydrophobicContact CD1-CD1 4.28Å; F20-F142 HydrophobicContact CD2-CB 4.25Å; F20-F142 HydrophobicContact CE1-CB 4.37Å; F20-F142 HydrophobicContact CE2-CB 4.13Å; F20-F142 HydrophobicContact CG-CB 4.44Å; F20-F142 HydrophobicContact CG-CD1 4.14Å; F20-F142 HydrophobicContact CZ-CB 4.21Å; R130-F142 WeakPolarHBondContact CA-O 3.33Å; A131-F142 HydrophobicContact CB-CD2 4.34Å; A131-F142 HydrophobicContact CB-CE1 4.46Å; A131-F142 HydrophobicContact CB-CE2 3.73Å; A131-F142 HydrophobicContact CB-CZ 3.8Å; A131-F142 PolarHBondContact N-O 2.78Å; A131-F142 PolarHBondContact O-N 2.83Å; I140-F142 HydrophobicContact CG2-CD1 4.22Å; F142-I164 HydrophobicContact CB-CD1 4.12Å; F142-T165 CarbonylContact C-O 3.59Å; F142-T165 VanDerWaalsContact CA-O 3.25Å; F142-T165 WeakPolarHBondContact CA-O 3.27Å
143N95.9Very high95.3Very high17 Ų1742.4 Ų42.49%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-142.8153.7173.45975.9000111.4L128 L129 R130 T165L128-N143 HydrophobicContact CB-CB 4.36Å; L129-N143 CarbonylContact O-C 3.33Å; L129-N143 WeakPolarHBondContact O-CA 3.5Å; L129-N143 WeakPolarHBondContact O-CB 3.34Å; R130-N143 HydrophobicContact CB-CB 4.16Å; R130-N143 HydrophobicContact CG-CB 4.34Å; N143-T165 PolarHBondContact N-O 3.16Å; N143-T165 PolarHBondContact O-N 2.77Å; N143-T165 WeakPolarHBondContact OD1-CB 3.35Å
144R95.4Very high95Very high8 Ų844.6 Ų44.63%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-148.1153.1177.963.8-178.9-178.6-101.4-0.6109.9E8 L128 L129E8-R144 PolarHBondContact O-NE 3.26Å; E8-R144 PolarHBondContact O-NH2 2.85Å; L128-R144 CarbonylContact C-O 3.56Å; L128-R144 WeakPolarHBondContact CA-O 3.37Å; L129-R144 HydrophobicContact CB-CG 4.46Å; L129-R144 PolarHBondContact N-O 2.86Å; L129-R144 PolarHBondContact O-N 3.25Å
145S96Very high94.6Very high3 Ų348.7 Ų48.72%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-70.9136.7177.6-75.80000112.1G7 V127 T162G7-S145 PolarHBondContact N-O 2.96Å; G7-S145 VanDerWaalsContact N-O 3.14Å; V127-S145 VanDerWaalsContact O-CA 3.25Å; V127-S145 WeakPolarHBondContact O-CA 3.44Å; S145-T162 PolarHBondContact N-O 2.82Å; S145-T162 PolarHBondContact OG-N 3.24Å
146V96.3Very high94.3Very high2 Ų249.2 Ų49.21%0.01225%0.247CC..  trans-129.5166.8173.6-59.60000109.5V9 I100 V127 L129V9-V146 HydrophobicContact CG2-CB 3.75Å; V9-V146 HydrophobicContact CG2-CG1 3.65Å; V9-V146 HydrophobicContact CG2-CG2 4.41Å; I100-V146 HydrophobicContact CD1-CG2 3.96Å; I100-V146 HydrophobicContact CG1-CG2 4.11Å; I100-V146 HydrophobicContact CG2-CG2 3.85Å; V127-V146 WeakPolarHBondContact CB-O 3.27Å; V127-V146 HydrophobicContact CG1-CG2 3.95Å; V127-V146 PolarHBondContact O-N 3.43Å; L129-V146 HydrophobicContact CB-CG1 3.58Å; L129-V146 HydrophobicContact CB-CG2 4.28Å; L129-V146 HydrophobicContact CD1-CG1 4.4Å
147F95.9Very high94.2Very high7 Ų741.8 Ų41.83%0.03121%0.212CC..  trans-117.3123.9-175.4-48.2-55.1000109.5L6 L161 L251 P254 F256L6-F147 HydrophobicContact CD2-CZ 4.19Å; L6-F147 HydrophobicContact CG-CZ 4.03Å; F147-L161 HydrophobicContact CE1-CD2 4.04Å; F147-L251 HydrophobicContact CB-CB 3.65Å; F147-L251 HydrophobicContact CB-CD1 4.4Å; F147-L251 PolarHBondContact O-N 3.5Å; F147-P254 HydrophobicContact CD1-CB 3.86Å; F147-P254 HydrophobicContact CE1-CB 3.61Å; F147-P254 HydrophobicContact CE1-CG 4.2Å; F147-P254 HydrophobicContact CE2-CB 4.47Å; F147-P254 HydrophobicContact CE2-CG 4.46Å; F147-P254 HydrophobicContact CG-CB 4.41Å; F147-P254 HydrophobicContact CZ-CB 3.94Å; F147-P254 HydrophobicContact CZ-CG 4.03Å; F147-F256 HydrophobicContact CD1-CE1 4.34Å; F147-F256 HydrophobicContact CE1-CE1 4.39Å; F147-F256 HydrophobicContact CE1-CZ 4.2Å
148H96.2Very high94Very high3 Ų338.2 Ų38.21%0.01420%0.198CC..BIsolated β-bridgetrans-134.2121.4-170.1-164.9-72.1000110.7V127 K150 V151 D249V127-H148 HydrophobicContact CG1-CB 4Å; H148-K150 PolarHBondContact ND1-N 3.12Å; H148-K150 PolarHBondContact O-N 2.99Å; H148-V151 CarbonylContact O-C 3.6Å; H148-V151 PolarHBondContact O-N 2.73Å; H148-D249 CarbonylContact C-O 3.27Å; H148-D249 WeakPolarHBondContact CA-O 2.94Å
149K95.2Very high93.8Very high115 Ų11538.3 Ų38.350%0.520%0.198SC..THydrogen-bonded Turntrans-55.2-37-175.4-72.1-178.5-173.71720113.7V151 S248 D249 L251K149-V151 PolarHBondContact O-N 2.68Å; K149-S248 WeakPolarHBondContact CD-O 3.41Å; K149-S248 WeakPolarHBondContact CE-O 3.34Å; K149-S248 PolarHBondContact NZ-O 3.35Å; K149-D249 WeakPolarHBondContact CB-O 3.43Å; K149-D249 WeakPolarHBondContact CG-O 3.16Å; K149-D249 PolarHBondContact N-O 3.07Å; K149-L251 HydrophobicContact CD-CD2 4.12Å; K149-L251 VanDerWaalsContact CE-CD2 3.5Å; K149-L251 HydrophobicContact CG-CD1 4.24Å; K149-L251 HydrophobicContact CG-CD2 3.5Å; K149-L251 VanDerWaalsContact CG-CD2 3.5Å; K149-L251 HydrophobicContact CG-CG 3.68Å
150K93.9Very high93.5Very high138 Ų13837.2 Ų37.260%0.619%0.194SC*.THydrogen-bonded Turntrans-75.7-6.2179.9-58.5-178174.6150.40114.2H148 D249H148-K150 PolarHBondContact ND1-N 3.12Å; H148-K150 PolarHBondContact O-N 2.99Å; K150-D249 WeakPolarHBondContact CE-OD2 3.48Å; K150-D249 IonicContact NZ-OD2 3.42Å; K150-D249 PolarHBondContact NZ-OD2 2.88Å
151V94Very high93.3Very high16 Ų1637.4 Ų37.410%0.09720%0.195CC..SBendtrans-129.361.1-178.4-164.70000110.1I91 H102 V127 H148 K149 R159I91-V151 HydrophobicContact CD1-CG2 3.66Å; I91-V151 HydrophobicContact CG1-CG2 3.9Å; I91-V151 HydrophobicContact CG2-CG2 4.05Å; H102-V151 HydrophobicContact CB-CG1 4.18Å; V127-V151 HydrophobicContact CG2-CB 3.99Å; V127-V151 HydrophobicContact CG2-CG1 3.68Å; H148-V151 CarbonylContact O-C 3.6Å; H148-V151 PolarHBondContact O-N 2.73Å; K149-V151 PolarHBondContact O-N 2.68Å; V151-R159 PolarHBondContact O-NH1 3.34Å; V151-R159 PolarHBondContact O-NH2 3.37Å
152P93.7Very high93.1Very high63 Ų6337.6 Ų37.641%0.40920%0.196SC..  trans-64.2160.5177.530.9-36000110.7R159P152-R159 PolarHBondContact O-NH2 3.25Å; P152-R159 VanDerWaalsContact O-NH2 3.12Å
153P92.3Very high92.9Very high51 Ų5139.7 Ų39.733%0.33121%0.205SC..  trans-53.7138.7170.8-23.331.5000111.6R159 D255 F256P153-R159 HydrophobicContact CB-CB 4.42Å; P153-D255 WeakPolarHBondContact CD-OD1 3.42Å; P153-D255 VanDerWaalsContact CD-OD2 3.26Å; P153-D255 WeakPolarHBondContact CD-OD2 3.27Å; P153-F256 HydrophobicContact CG-CB 3.94Å; P153-F256 HydrophobicContact CG-CD1 3.75Å; P153-F256 HydrophobicContact CG-CG 4.17Å
154R90.6Very high92.8Very high81 Ų8139.1 Ų39.131%0.30620%0.202SC..  trans-113.7147.3178.3-58.9179.5-73.2168.4-0.3110.4E87 H102 D125 E156 Y157E87-R154 IonicContact OE1-CZ 2.74Å; E87-R154 IonicContact OE1-NH1 3.52Å; E87-R154 PolarHBondContact OE1-NH1 3.18Å; E87-R154 IonicContact OE1-NH2 3.77Å; E87-R154 PolarHBondContact OE1-NH2 3Å; H102-R154 PolarHBondContact CE1-NH2 3.44Å; H102-R154 PolarHBondContact NE2-NH2 2.88Å; D125-R154 IonicContact OD2-NH2 2.68Å; R154-E156 WeakPolarHBondContact CB-OE1 3.12Å; R154-E156 WeakPolarHBondContact CB-OE2 3.45Å; R154-E156 VanDerWaalsContact CD-OE1 3.29Å; R154-E156 WeakPolarHBondContact CD-OE1 3.47Å; R154-E156 IonicContact CZ-OE1 3.56Å; R154-E156 IonicContact NE-OE1 3.24Å; R154-E156 PolarHBondContact NE-OE1 3.45Å; R154-E156 IonicContact NH1-OE1 3.19Å; R154-E156 PolarHBondContact NH1-OE1 2.7Å; R154-E156 PolarHBondContact O-N 3.5Å; R154-Y157 HydrophobicContact CB-CD2 4.41Å; R154-Y157 VanDerWaalsContact CZ-CE2 3.46Å; R154-Y157 PolarHBondContact O-N 3.05Å
155S87Confident92.8Very high127 Ų12739.2 Ų39.289%0.88820%0.203SC*.THydrogen-bonded Turntrans-65.1-24.4-170.954.40000114Y157S155-Y157 VanDerWaalsContact C-N 3.26Å; S155-Y157 PolarHBondContact O-N 3.14Å
156E87.5Confident92.8Very high78 Ų7839 Ų3936%0.36420%0.202SC..THydrogen-bonded Turntrans-79.6-5.7176.975.3-76.3-175.600114.1R154R154-E156 WeakPolarHBondContact CB-OE1 3.12Å; R154-E156 WeakPolarHBondContact CB-OE2 3.45Å; R154-E156 VanDerWaalsContact CD-OE1 3.29Å; R154-E156 WeakPolarHBondContact CD-OE1 3.47Å; R154-E156 IonicContact CZ-OE1 3.56Å; R154-E156 IonicContact NE-OE1 3.24Å; R154-E156 PolarHBondContact NE-OE1 3.45Å; R154-E156 IonicContact NH1-OE1 3.19Å; R154-E156 PolarHBondContact NH1-OE1 2.7Å; R154-E156 PolarHBondContact O-N 3.5Å
157Y88.4Confident92.8Very high13 Ų1340.3 Ų40.35%0.05121%0.207CC..EExtended strand (participates in β ladder)trans-127.6146.1178.2-64.2-77.6000112.5R86 E87 N123 R124 D125 R154 S155R86-Y157 VanDerWaalsContact CD-OH 3.23Å; R86-Y157 WeakPolarHBondContact CD-OH 3.45Å; R86-Y157 PolarHBondContact NE-OH 3.36Å; R86-Y157 VanDerWaalsContact NH1-CZ 3.34Å; R86-Y157 PolarHBondContact NH1-OH 2.76Å; E87-Y157 WeakPolarHBondContact OE1-CE2 3.4Å; E87-Y157 VanDerWaalsContact OE1-CZ 3.24Å; E87-Y157 PolarHBondContact OE1-OH 2.92Å; N123-Y157 HydrophobicContact CB-CD1 3.56Å; N123-Y157 HydrophobicContact CB-CE1 3.6Å; N123-Y157 CarbonylContact O-C 3.4Å; N123-Y157 VanDerWaalsContact O-CA 3.31Å; N123-Y157 WeakPolarHBondContact O-CA 3.14Å; R124-Y157 WeakPolarHBondContact O-CD1 3.24Å; D125-Y157 HydrophobicContact CB-CD1 3.84Å; D125-Y157 HydrophobicContact CB-CD2 4.21Å; D125-Y157 HydrophobicContact CB-CE1 4.43Å; D125-Y157 HydrophobicContact CB-CG 3.72Å; R154-Y157 HydrophobicContact CB-CD2 4.41Å; R154-Y157 VanDerWaalsContact CZ-CE2 3.46Å; R154-Y157 PolarHBondContact O-N 3.05Å; S155-Y157 VanDerWaalsContact C-N 3.26Å; S155-Y157 PolarHBondContact O-N 3.14Å
158V88.5Confident92.9Very high43 Ų4340 Ų4026%0.26121%0.206SC..EExtended strand (participates in β ladder)trans-89.2116.8157.9175.80000107.5A122 N123 R124 D125 A160 R188A122-V158 HydrophobicContact CB-CG2 3.88Å; N123-V158 PolarHBondContact O-N 2.79Å; R124-V158 VanDerWaalsContact CA-O 3.28Å; R124-V158 WeakPolarHBondContact CA-O 3.35Å; R124-V158 HydrophobicContact CG-CB 4.46Å; R124-V158 WeakPolarHBondContact CG-O 3.16Å; D125-V158 PolarHBondContact N-O 2.89Å; V158-A160 PolarHBondContact O-N 2.86Å; V158-A160 VanDerWaalsContact O-N 3.1Å; V158-R188 HydrophobicContact CG1-CB 3.77Å
159R92.6Very high93Very high17 Ų1739.8 Ų39.86%0.06421%0.205CC..EExtended strand (participates in β ladder)trans-64.5110.7175.4179.260.359.180.6-4.4110D125 V151 P152 P153 R188 F256D125-R159 VanDerWaalsContact OD1-CA 3.29Å; D125-R159 WeakPolarHBondContact OD1-CA 3.3Å; D125-R159 WeakPolarHBondContact OD1-CD 3.35Å; D125-R159 IonicContact OD1-CZ 3.66Å; D125-R159 IonicContact OD1-NE 3.63Å; D125-R159 PolarHBondContact OD1-NE 2.96Å; D125-R159 IonicContact OD1-NH2 3.34Å; D125-R159 IonicContact OD2-CZ 2.76Å; D125-R159 IonicContact OD2-NE 2.88Å; D125-R159 IonicContact OD2-NH2 3.44Å; D125-R159 PolarHBondContact OD2-NH2 2.81Å; V151-R159 PolarHBondContact O-NH1 3.34Å; V151-R159 PolarHBondContact O-NH2 3.37Å; P152-R159 PolarHBondContact O-NH2 3.25Å; P152-R159 VanDerWaalsContact O-NH2 3.12Å; P153-R159 HydrophobicContact CB-CB 4.42Å; R159-R188 WeakPolarHBondContact O-CG 3.26Å; R159-F256 HydrophobicContact CB-CD1 4.43Å; R159-F256 HydrophobicContact CB-CE1 4.38Å; R159-F256 HydrophobicContact CB-CE2 4.43Å; R159-F256 HydrophobicContact CB-CZ 4.36Å; R159-F256 HydrophobicContact CG-CD1 3.86Å; R159-F256 HydrophobicContact CG-CD2 4.32Å; R159-F256 HydrophobicContact CG-CE1 3.38Å; R159-F256 HydrophobicContact CG-CE2 3.87Å; R159-F256 HydrophobicContact CG-CG 4.32Å; R159-F256 HydrophobicContact CG-CZ 3.37Å
160A92.2Very high93.2Very high0 Ų035.7 Ų35.70%019%0.189CC..  trans-93.9165.617800000111.2R124 D125 F126 V158 D186R124-A160 HydrophobicContact CB-CB 4.07Å; R124-A160 HydrophobicContact CG-CB 3.79Å; D125-A160 PolarHBondContact O-N 2.91Å; F126-A160 HydrophobicContact CD1-CB 3.84Å; F126-A160 HydrophobicContact CE1-CB 3.25Å; F126-A160 HydrophobicContact CE2-CB 4.1Å; F126-A160 HydrophobicContact CG-CB 4.49Å; F126-A160 HydrophobicContact CZ-CB 3.4Å; V158-A160 PolarHBondContact O-N 2.86Å; V158-A160 VanDerWaalsContact O-N 3.1Å; A160-D186 WeakPolarHBondContact CA-O 3.1Å; A160-D186 WeakPolarHBondContact CB-O 3.26Å
161L92.5Very high93.4Very high4 Ų430.5 Ų30.52%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-121.3133.8-179.9-66.8172.5000110.9L6 F147 N185 D186 F256 L258L6-L161 HydrophobicContact CD1-CD2 4.48Å; L6-L161 HydrophobicContact CD2-CD1 4.21Å; L6-L161 HydrophobicContact CD2-CD2 4.39Å; F147-L161 HydrophobicContact CE1-CD2 4.04Å; L161-N185 CarbonylContact O-C 3.58Å; L161-N185 VanDerWaalsContact O-CA 3.3Å; L161-N185 WeakPolarHBondContact O-CA 3.27Å; L161-D186 HydrophobicContact CB-CB 4.36Å; L161-D186 PolarHBondContact N-O 2.83Å; L161-D186 PolarHBondContact O-N 2.75Å; L161-F256 HydrophobicContact CD2-CE2 4.22Å; L161-F256 HydrophobicContact CD2-CZ 3.8Å; L161-F256 HydrophobicContact CG-CE2 4.41Å; L161-F256 HydrophobicContact CG-CZ 4.46Å; L161-L258 HydrophobicContact CD1-CD2 3.57Å
162T93.4Very high93.6Very high4 Ų434.1 Ų34.13%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-108.5106.4168.6-61.40000108.1F126 L128 S145 I164 T165 N185F126-T162 VanDerWaalsContact CD1-OG1 3.31Å; F126-T162 WeakPolarHBondContact CD1-OG1 3.49Å; F126-T162 WeakPolarHBondContact CE1-OG1 3.38Å; L128-T162 HydrophobicContact CD2-CG2 4.37Å; S145-T162 PolarHBondContact N-O 2.82Å; S145-T162 PolarHBondContact OG-N 3.24Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 VanDerWaalsContact CG2-C 3.5Å; T162-T165 WeakPolarHBondContact CG2-OG1 3.28Å; T162-N185 WeakPolarHBondContact CA-OD1 3.3Å; T162-N185 VanDerWaalsContact CB-OD1 3.25Å; T162-N185 WeakPolarHBondContact CB-OD1 3.42Å; T162-N185 VanDerWaalsContact CG2-OD1 3.26Å; T162-N185 WeakPolarHBondContact CG2-OD1 3.32Å; T162-N185 PolarHBondContact OG1-OD1 2.77Å
163F92.9Very high93.7Very high43 Ų4333.2 Ų33.219%0.18919%0.186CC..EExtended strand (participates in β ladder)trans-67.4-44.1172.8-63.7-82.1000110L6 T49 Q184 D186L6-F163 HydrophobicContact CD2-CD1 4.47Å; L6-F163 HydrophobicContact CD2-CE1 4.14Å; T49-F163 HydrophobicContact CG2-CD2 4.23Å; T49-F163 HydrophobicContact CG2-CE2 3.83Å; T49-F163 HydrophobicContact CG2-CZ 4.1Å; F163-Q184 HydrophobicContact CB-CB 4.28Å; F163-Q184 HydrophobicContact CB-CG 4.36Å; F163-Q184 HydrophobicContact CD2-CG 4Å; F163-Q184 PolarHBondContact N-O 2.83Å; F163-D186 HydrophobicContact CE2-CB 3.96Å
164I94.3Very high93.9Very high5 Ų536.3 Ų36.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-157.6138.4170.4-175.463.9000108.8I3 F4 F20 M53 F142 T162 L182 T183 Q184I3-I164 HydrophobicContact CD1-CG1 4.26Å; F4-I164 HydrophobicContact CD2-CD1 3.89Å; F4-I164 HydrophobicContact CE2-CD1 3.91Å; F20-I164 HydrophobicContact CD2-CD1 3.92Å; F20-I164 HydrophobicContact CD2-CG1 4.1Å; F20-I164 HydrophobicContact CE2-CD1 3.78Å; F20-I164 HydrophobicContact CE2-CG1 3.65Å; M53-I164 HydrophobicContact CE-CG2 3.88Å; F142-I164 HydrophobicContact CB-CD1 4.12Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 VanDerWaalsContact CG2-C 3.5Å; I164-L182 HydrophobicContact CG1-CD2 4.28Å; I164-L182 HydrophobicContact CG2-CD2 4.2Å; I164-T183 CarbonylContact O-C 3.54Å; I164-T183 WeakPolarHBondContact O-CA 3.47Å; I164-Q184 HydrophobicContact CG2-CB 4.1Å; I164-Q184 PolarHBondContact O-N 3.47Å
165T94.7Very high94.2Very high10 Ų1036.8 Ų36.86%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-139.8139.5159.3-66.80000108.6F142 N143 T162 Y181 L182 T183 N185F142-T165 CarbonylContact C-O 3.59Å; F142-T165 VanDerWaalsContact CA-O 3.25Å; F142-T165 WeakPolarHBondContact CA-O 3.27Å; N143-T165 PolarHBondContact N-O 3.16Å; N143-T165 PolarHBondContact O-N 2.77Å; N143-T165 WeakPolarHBondContact OD1-CB 3.35Å; T162-T165 WeakPolarHBondContact CG2-OG1 3.28Å; T165-Y181 HydrophobicContact CG2-CE2 3.49Å; T165-Y181 VanDerWaalsContact CG2-CE2 3.49Å; T165-L182 CarbonylContact C-O 3.3Å; T165-L182 VanDerWaalsContact CA-O 3.22Å; T165-L182 WeakPolarHBondContact CA-O 3.35Å; T165-T183 PolarHBondContact OG1-OG1 2.77Å; T165-N185 PolarHBondContact OG1-OD1 2.81Å
166G96.1Very high94.7Very high0 Ų031.6 Ų31.60%018%0.181CC..EExtended strand (participates in β ladder)trans-174.2176.3177.600000114.6I141 Y181 L182I141-G166 CarbonylContact O-C 3.52Å; I141-G166 WeakPolarHBondContact O-CA 3.48Å; G166-Y181 WeakPolarHBondContact O-CA 3.25Å; G166-Y181 WeakPolarHBondContact O-CD2 3.35Å; G166-L182 PolarHBondContact N-O 2.65Å; G166-L182 PolarHBondContact O-N 2.87Å
167Y97.6Very high95.2Very high28 Ų2827.9 Ų27.911%0.1116%0.164CC..EExtended strand (participates in β ladder)trans-134.4134.4-171.4-53.2-85.6000109.1L72 I140 I141 L179 M180 Y181L72-Y167 HydrophobicContact CD1-CD1 3.94Å; L72-Y167 HydrophobicContact CD1-CD2 4.01Å; L72-Y167 HydrophobicContact CD1-CE1 4.23Å; L72-Y167 HydrophobicContact CD1-CE2 4.34Å; L72-Y167 HydrophobicContact CD1-CG 3.8Å; L72-Y167 HydrophobicContact CD2-CE1 4.29Å; L72-Y167 HydrophobicContact CD2-CE2 4.41Å; I140-Y167 WeakPolarHBondContact CA-O 3.26Å; I141-Y167 HydrophobicContact CB-CD2 4.25Å; I141-Y167 HydrophobicContact CG2-CD2 4.49Å; I141-Y167 PolarHBondContact N-O 2.95Å; I141-Y167 PolarHBondContact O-N 2.86Å; Y167-L179 HydrophobicContact CD1-CD1 3.87Å; Y167-L179 HydrophobicContact CG-CD1 4.42Å; Y167-M180 CarbonylContact C-O 3.6Å; Y167-M180 WeakPolarHBondContact CA-O 3.29Å; Y167-Y181 AromaticContact CD1-CD2 3.54Å; Y167-Y181 HydrophobicContact CD1-CD2 3.54Å; Y167-Y181 HydrophobicContact CD1-CE2 4.38Å; Y167-Y181 HydrophobicContact CD1-CG 4.27Å; Y167-Y181 AromaticContact CE1-CD2 3.16Å; Y167-Y181 HydrophobicContact CE1-CD2 3.16Å; Y167-Y181 AromaticContact CE1-CE2 3.64Å; Y167-Y181 HydrophobicContact CE1-CE2 3.64Å; Y167-Y181 HydrophobicContact CE1-CG 4.03Å; Y167-Y181 HydrophobicContact CE2-CD2 4.47Å; Y167-Y181 HydrophobicContact CE2-CE2 4.47Å; Y167-Y181 HydrophobicContact CG-CD2 4.36Å; Y167-Y181 AromaticContact CZ-CD2 3.69Å; Y167-Y181 AromaticContact CZ-CE2 3.69Å
168V98.1Very high95.7Very high0 Ų029.5 Ų29.50%017%0.172CC..EExtended strand (participates in β ladder)trans-115.4117.6162-177.50000106.6F20 V24 E138 Y139 I140 M180F20-V168 HydrophobicContact CD1-CG2 4.11Å; F20-V168 HydrophobicContact CE1-CG2 3.82Å; V24-V168 HydrophobicContact CB-CG2 4.23Å; V24-V168 HydrophobicContact CG1-CG2 4.17Å; V24-V168 HydrophobicContact CG2-CG2 4.27Å; E138-V168 HydrophobicContact CG-CG1 3.92Å; Y139-V168 WeakPolarHBondContact O-CA 3.26Å; I140-V168 HydrophobicContact CG1-CG1 4.49Å; I140-V168 HydrophobicContact CG1-CG2 4.45Å; V168-M180 HydrophobicContact CB-CB 4.3Å; V168-M180 PolarHBondContact N-O 3.35Å; V168-M180 PolarHBondContact O-N 2.93Å
169I98.3Very high96.1Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-112.2114.1-177.4-49.5160.9000107.5I68 Y69 L72 E138 Y139 C177 Q178 L179I68-I169 HydrophobicContact CB-CD1 4.29Å; I68-I169 HydrophobicContact CB-CG2 4.21Å; I68-I169 HydrophobicContact CG2-CD1 3.8Å; I68-I169 HydrophobicContact CG2-CG1 4.12Å; I68-I169 HydrophobicContact CG2-CG2 4.37Å; Y69-I169 HydrophobicContact CD2-CD1 4.4Å; L72-I169 HydrophobicContact CD1-CD1 4.08Å; E138-I169 CarbonylContact C-O 3.51Å; E138-I169 WeakPolarHBondContact CA-O 3.4Å; Y139-I169 HydrophobicContact CD2-CB 4.36Å; Y139-I169 PolarHBondContact N-O 3.18Å; Y139-I169 PolarHBondContact O-N 3.35Å; I169-C177 HydrophobicContact CG2-CB 4.47Å; I169-Q178 CarbonylContact C-O 3.45Å; I169-Q178 WeakPolarHBondContact CA-O 3.42Å; I169-L179 HydrophobicContact CG1-CD1 3.64Å
170T98.3Very high96.4Very high28 Ų2827.5 Ų27.517%0.17216%0.161CC..EExtended strand (participates in β ladder)trans-113.6128.7-177-47.20000109.5L172 C177 Q178T170-L172 PolarHBondContact O-N 2.94Å; T170-C177 CarbonylContact O-C 3.58Å; T170-C177 VanDerWaalsContact O-CA 3.26Å; T170-C177 WeakPolarHBondContact O-CA 3.33Å; T170-C177 VanDerWaalsContact O-CB 3.29Å; T170-C177 WeakPolarHBondContact O-CB 3.25Å; T170-Q178 PolarHBondContact N-O 3.26Å; T170-Q178 PolarHBondContact O-N 2.91Å
171A98.2Very high96.6Very high30 Ų3029.7 Ų29.725%0.24817%0.169CC..EExtended strand (participates in β ladder)trans-65.2132.8170.900000110.2H137H137-A171 HydrophobicContact CB-CB 4.33Å; H137-A171 PolarHBondContact O-N 3.18Å
172L97.5Very high96.7Very high92 Ų9229.5 Ų29.548%0.48217%0.168SC..EExtended strand (participates in β ladder)trans-104.4-30170.7-62.3177.8000111I59 T170 S176 Q178I59-L172 HydrophobicContact CG2-CD1 3.82Å; T170-L172 PolarHBondContact O-N 2.94Å; L172-S176 PolarHBondContact N-O 2.89Å; L172-Q178 HydrophobicContact CD1-CB 4.17Å; L172-Q178 HydrophobicContact CD2-CB 4.29Å; L172-Q178 HydrophobicContact CG-CB 4.25Å
173S97.1Very high96.7Very high43 Ų4329.6 Ų29.630%0.30117%0.169SC..EExtended strand (participates in β ladder)trans-156.2178.6170.378.20000108.7V175 S176S173-V175 PolarHBondContact O-N 2.87Å; S173-V175 VanDerWaalsContact O-N 3.12Å; S173-V175 PolarHBondContact OG-N 2.86Å; S173-S176 WeakPolarHBondContact CB-OG 3.47Å; S173-S176 PolarHBondContact N-O 3.05Å; S173-S176 VanDerWaalsContact N-O 3.14Å; S173-S176 PolarHBondContact N-OG 2.88Å; S173-S176 PolarHBondContact O-N 2.88Å; S173-S176 WeakPolarHBondContact OG-CB 3.36Å; S173-S176 PolarHBondContact OG-N 2.56Å; S173-S176 VanDerWaalsContact OG-N 3.07Å; S173-S176 PolarHBondContact OG-OG 3.11Å
174P96.3Very high96.6Very high116 Ų11628.1 Ų28.175%0.75316%0.163SC*.THydrogen-bonded Turntrans-57-24.5172.5-27.437000114.4S64S64-P174 VanDerWaalsContact CB-O 3.27Å; S64-P174 WeakPolarHBondContact CB-O 3.38Å; S64-P174 PolarHBondContact OG-O 3.06Å
175V96.8Very high96.4Very high91 Ų9130.2 Ų30.255%0.55217%0.174SC*.THydrogen-bonded Turntrans-118.94.9-175.6-60.20000113.8D62 V63 S173D62-V175 CarbonylContact C-O 3.47Å; D62-V175 VanDerWaalsContact C-O 3.3Å; V63-V175 CarbonylContact C-O 3.48Å; V63-V175 VanDerWaalsContact C-O 3.27Å; V63-V175 PolarHBondContact N-O 3.44Å; S173-V175 PolarHBondContact O-N 2.87Å; S173-V175 VanDerWaalsContact O-N 3.12Å; S173-V175 PolarHBondContact OG-N 2.86Å
176S97.8Very high96.1Very high18 Ų1830.3 Ų30.313%0.12617%0.174CC..EExtended strand (participates in β ladder)trans-140.1149.8-178.867.30000112.7F60 V63 L172 S173F60-S176 CarbonylContact O-C 3.56Å; F60-S176 VanDerWaalsContact O-CA 3.24Å; F60-S176 WeakPolarHBondContact O-CA 3.22Å; F60-S176 VanDerWaalsContact O-CB 3.3Å; F60-S176 WeakPolarHBondContact O-CB 3.3Å; V63-S176 CarbonylContact O-C 3.6Å; V63-S176 VanDerWaalsContact O-CA 3.28Å; V63-S176 WeakPolarHBondContact O-CA 3.32Å; L172-S176 PolarHBondContact N-O 2.89Å; S173-S176 WeakPolarHBondContact CB-OG 3.47Å; S173-S176 PolarHBondContact N-O 3.05Å; S173-S176 VanDerWaalsContact N-O 3.14Å; S173-S176 PolarHBondContact N-OG 2.88Å; S173-S176 PolarHBondContact O-N 2.88Å; S173-S176 WeakPolarHBondContact OG-CB 3.36Å; S173-S176 PolarHBondContact OG-N 2.56Å; S173-S176 VanDerWaalsContact OG-N 3.07Å; S173-S176 PolarHBondContact OG-OG 3.11Å
177C98.3Very high95.6Very high0 Ų030.8 Ų30.80%018%0.177CC..EExtended strand (participates in β ladder)trans-147.3163.1179.766.30000113.4F60 V63 I169 T170F60-C177 PolarHBondContact N-O 3.32Å; F60-C177 PolarHBondContact O-N 2.99Å; V63-C177 PolarHBondContact O-N 3.38Å; V63-C177 PolarHBondContact O-SG 3.12Å; I169-C177 HydrophobicContact CG2-CB 4.47Å; T170-C177 CarbonylContact O-C 3.58Å; T170-C177 VanDerWaalsContact O-CA 3.26Å; T170-C177 WeakPolarHBondContact O-CA 3.33Å; T170-C177 VanDerWaalsContact O-CB 3.29Å; T170-C177 WeakPolarHBondContact O-CB 3.25Å
178Q98.2Very high94.9Very high48 Ų4830.9 Ų30.922%0.22418%0.177CC..EExtended strand (participates in β ladder)trans-108.1134.4167.8-177.2-177.278.400109.2V57 A58 I59 I169 T170 L172 M180V57-Q178 HydrophobicContact CG1-CG 4.22Å; A58-Q178 CarbonylContact O-C 3.47Å; A58-Q178 WeakPolarHBondContact O-CA 3.47Å; I59-Q178 HydrophobicContact CG1-CG 4.44Å; I169-Q178 CarbonylContact C-O 3.45Å; I169-Q178 WeakPolarHBondContact CA-O 3.42Å; T170-Q178 PolarHBondContact N-O 3.26Å; T170-Q178 PolarHBondContact O-N 2.91Å; L172-Q178 HydrophobicContact CD1-CB 4.17Å; L172-Q178 HydrophobicContact CD2-CB 4.29Å; L172-Q178 HydrophobicContact CG-CB 4.25Å; Q178-M180 HydrophobicContact CG-CG 4.39Å
179L98Very high94Very high4 Ų432 Ų322%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-111.2118170.117971.2000109.3A58 F60 I68 Y167 I169 L211A58-L179 HydrophobicContact CB-CB 4.41Å; A58-L179 PolarHBondContact N-O 2.66Å; A58-L179 PolarHBondContact O-N 3.01Å; F60-L179 HydrophobicContact CD2-CB 4.36Å; F60-L179 HydrophobicContact CE2-CB 3.64Å; F60-L179 HydrophobicContact CE2-CD2 3.91Å; F60-L179 HydrophobicContact CE2-CG 4.42Å; F60-L179 HydrophobicContact CZ-CB 4.47Å; F60-L179 HydrophobicContact CZ-CD2 4.23Å; I68-L179 HydrophobicContact CG2-CD1 4.19Å; Y167-L179 HydrophobicContact CD1-CD1 3.87Å; Y167-L179 HydrophobicContact CG-CD1 4.42Å; I169-L179 HydrophobicContact CG1-CD1 3.64Å; L179-L211 HydrophobicContact CD2-CD1 3.75Å; L179-L211 HydrophobicContact CD2-CD2 4.07Å
180M97.5Very high92.8Very high14 Ų1436.8 Ų36.87%0.06921%0.214CC..EExtended strand (participates in β ladder)trans-101.7114.3164.6-54.4-176.778.600108.8V24 K25 K55 V56 V57 Y167 V168 Q178V24-M180 HydrophobicContact CG1-CB 3.42Å; V24-M180 VanDerWaalsContact CG1-CB 3.42Å; V24-M180 HydrophobicContact CG1-CE 3.81Å; V24-M180 HydrophobicContact CG1-CG 4.28Å; V24-M180 HydrophobicContact CG1-SD 3.95Å; V24-M180 VanDerWaalsContact O-CE 3.26Å; V24-M180 WeakPolarHBondContact O-CE 3.42Å; K25-M180 HydrophobicContact CG-CE 4.37Å; K25-M180 HydrophobicContact CG-SD 3.94Å; K55-M180 HydrophobicContact CD-CE 4.27Å; V56-M180 CarbonylContact O-C 3.54Å; V56-M180 WeakPolarHBondContact O-CA 3.3Å; V57-M180 HydrophobicContact CG2-CE 3.89Å; V57-M180 HydrophobicContact CG2-CG 4.38Å; Y167-M180 CarbonylContact C-O 3.6Å; Y167-M180 WeakPolarHBondContact CA-O 3.29Å; V168-M180 HydrophobicContact CB-CB 4.3Å; V168-M180 PolarHBondContact N-O 3.35Å; V168-M180 PolarHBondContact O-N 2.93Å; Q178-M180 HydrophobicContact CG-CG 4.39Å
181Y95.7Very high91.5Very high46 Ų4635.5 Ų35.518%0.1821%0.207CC..EExtended strand (participates in β ladder)trans-105.6129.4176.9168.6-111.6000109.8K55 V56 T165 G166 Y167 T183K55-Y181 CarbonylContact C-O 3.53Å; K55-Y181 VanDerWaalsContact CA-O 3.3Å; K55-Y181 WeakPolarHBondContact CA-O 3.36Å; V56-Y181 HydrophobicContact CB-CD1 4.26Å; V56-Y181 HydrophobicContact CG2-CD1 3.96Å; V56-Y181 PolarHBondContact N-O 3.29Å; V56-Y181 PolarHBondContact O-N 3.32Å; T165-Y181 HydrophobicContact CG2-CE2 3.49Å; T165-Y181 VanDerWaalsContact CG2-CE2 3.49Å; G166-Y181 WeakPolarHBondContact O-CA 3.25Å; G166-Y181 WeakPolarHBondContact O-CD2 3.35Å; Y167-Y181 AromaticContact CD1-CD2 3.54Å; Y167-Y181 HydrophobicContact CD1-CD2 3.54Å; Y167-Y181 HydrophobicContact CD1-CE2 4.38Å; Y167-Y181 HydrophobicContact CD1-CG 4.27Å; Y167-Y181 AromaticContact CE1-CD2 3.16Å; Y167-Y181 HydrophobicContact CE1-CD2 3.16Å; Y167-Y181 AromaticContact CE1-CE2 3.64Å; Y167-Y181 HydrophobicContact CE1-CE2 3.64Å; Y167-Y181 HydrophobicContact CE1-CG 4.03Å; Y167-Y181 HydrophobicContact CE2-CD2 4.47Å; Y167-Y181 HydrophobicContact CE2-CE2 4.47Å; Y167-Y181 HydrophobicContact CG-CD2 4.36Å; Y167-Y181 AromaticContact CZ-CD2 3.69Å; Y167-Y181 AromaticContact CZ-CE2 3.69Å; Y181-T183 HydrophobicContact CD1-CG2 4.43Å; Y181-T183 HydrophobicContact CE1-CG2 3.49Å; Y181-T183 VanDerWaalsContact CE1-CG2 3.49Å; Y181-T183 WeakPolarHBondContact OH-CB 3.42Å; Y181-T183 PolarHBondContact OH-OG1 3.38Å
182L95Very high90.4Very high0 Ų034.2 Ų34.20%020%0.195CC..EExtended strand (participates in β ladder)trans-120.2137.5176.4-174.975.2000109.1I3 F20 F23 V24 W30 M53 I54 K55 I164 T165 G166I3-L182 HydrophobicContact CD1-CD2 4.11Å; F20-L182 HydrophobicContact CE2-CB 4.37Å; F20-L182 HydrophobicContact CE2-CD2 3.83Å; F20-L182 HydrophobicContact CZ-CB 4.23Å; F20-L182 HydrophobicContact CZ-CD2 4.45Å; F23-L182 HydrophobicContact CD1-CD2 3.68Å; F23-L182 HydrophobicContact CE1-CD1 4.34Å; F23-L182 HydrophobicContact CE1-CD2 3.76Å; V24-L182 HydrophobicContact CG2-CB 3.88Å; V24-L182 HydrophobicContact CG2-CD2 3.86Å; V24-L182 HydrophobicContact CG2-CG 4.39Å; W30-L182 HydrophobicContact CH2-CD1 3.46Å; W30-L182 VanDerWaalsContact CH2-CD1 3.46Å; W30-L182 HydrophobicContact CZ2-CD1 3.91Å; W30-L182 HydrophobicContact CZ3-CD1 4.48Å; M53-L182 HydrophobicContact CG-CD1 3.82Å; M53-L182 HydrophobicContact CG-CG 4.36Å; M53-L182 HydrophobicContact SD-CD1 3.71Å; M53-L182 HydrophobicContact SD-CD2 4.22Å; M53-L182 HydrophobicContact SD-CG 4.23Å; I54-L182 CarbonylContact O-C 3.53Å; I54-L182 WeakPolarHBondContact O-CA 3.23Å; K55-L182 HydrophobicContact CB-CD1 4.03Å; I164-L182 HydrophobicContact CG1-CD2 4.28Å; I164-L182 HydrophobicContact CG2-CD2 4.2Å; T165-L182 CarbonylContact C-O 3.3Å; T165-L182 VanDerWaalsContact CA-O 3.22Å; T165-L182 WeakPolarHBondContact CA-O 3.35Å; G166-L182 PolarHBondContact N-O 2.65Å; G166-L182 PolarHBondContact O-N 2.87Å
183T93.6Very high89.7Confident6 Ų630.4 Ų30.44%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-152.3143175.9-167.30000113M53 I54 I164 T165 Y181 N185M53-T183 WeakPolarHBondContact CA-O 3.24Å; I54-T183 HydrophobicContact CB-CG2 4.01Å; I54-T183 PolarHBondContact N-O 3.42Å; I54-T183 PolarHBondContact O-N 3.19Å; I164-T183 CarbonylContact O-C 3.54Å; I164-T183 WeakPolarHBondContact O-CA 3.47Å; T165-T183 PolarHBondContact OG1-OG1 2.77Å; Y181-T183 HydrophobicContact CD1-CG2 4.43Å; Y181-T183 HydrophobicContact CE1-CG2 3.49Å; Y181-T183 VanDerWaalsContact CE1-CG2 3.49Å; Y181-T183 WeakPolarHBondContact OH-CB 3.42Å; Y181-T183 PolarHBondContact OH-OG1 3.38Å; T183-N185 PolarHBondContact OG1-ND2 3.36Å
184Q91.9Very high88.8Confident12 Ų1231 Ų316%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-144.2102.8167.7-169.7175.126.300107.7T46 T49 M51 M53 F163 I164T46-Q184 PolarHBondContact OG1-NE2 3.03Å; T49-Q184 HydrophobicContact CG2-CG 4.38Å; M51-Q184 PolarHBondContact O-NE2 3.31Å; M53-Q184 HydrophobicContact CB-CB 4.17Å; M53-Q184 HydrophobicContact CB-CG 4.29Å; M53-Q184 HydrophobicContact CE-CB 4.2Å; M53-Q184 HydrophobicContact CG-CB 4.07Å; F163-Q184 HydrophobicContact CB-CB 4.28Å; F163-Q184 HydrophobicContact CB-CG 4.36Å; F163-Q184 HydrophobicContact CD2-CG 4Å; F163-Q184 PolarHBondContact N-O 2.83Å; I164-Q184 HydrophobicContact CG2-CB 4.1Å; I164-Q184 PolarHBondContact O-N 3.47Å
185N90Very high87.9Confident48 Ų4825.4 Ų25.426%0.25714%0.136SC..EExtended strand (participates in β ladder)trans-118.2144.7179.8-62.8-63.6000110.3M51 L161 T162 T165 T183M51-N185 WeakPolarHBondContact CG-O 3.3Å; L161-N185 CarbonylContact O-C 3.58Å; L161-N185 VanDerWaalsContact O-CA 3.3Å; L161-N185 WeakPolarHBondContact O-CA 3.27Å; T162-N185 WeakPolarHBondContact CA-OD1 3.3Å; T162-N185 VanDerWaalsContact CB-OD1 3.25Å; T162-N185 WeakPolarHBondContact CB-OD1 3.42Å; T162-N185 VanDerWaalsContact CG2-OD1 3.26Å; T162-N185 WeakPolarHBondContact CG2-OD1 3.32Å; T162-N185 PolarHBondContact OG1-OD1 2.77Å; T165-N185 PolarHBondContact OG1-OD1 2.81Å; T183-N185 PolarHBondContact OG1-ND2 3.36Å
186D88.3Confident87.1Confident12 Ų1222 Ų226%0.06412%0.115CC..EExtended strand (participates in β ladder)trans-108.5104.4163.2-179-4.5000107.6M51 A160 L161 F163 R188M51-D186 HydrophobicContact CE-CB 4.46Å; M51-D186 WeakPolarHBondContact CE-OD1 3.28Å; M51-D186 HydrophobicContact CG-CB 4.03Å; A160-D186 WeakPolarHBondContact CA-O 3.1Å; A160-D186 WeakPolarHBondContact CB-O 3.26Å; L161-D186 HydrophobicContact CB-CB 4.36Å; L161-D186 PolarHBondContact N-O 2.83Å; L161-D186 PolarHBondContact O-N 2.75Å; F163-D186 HydrophobicContact CE2-CB 3.96Å; D186-R188 PolarHBondContact O-N 3.03Å; D186-R188 WeakPolarHBondContact OD1-CA 3.42Å; D186-R188 WeakPolarHBondContact OD1-CD 3.39Å; D186-R188 PolarHBondContact OD1-N 3.04Å; D186-R188 WeakPolarHBondContact OD2-CD 3.38Å; D186-R188 IonicContact OD2-NH1 3.14Å; D186-R188 PolarHBondContact OD2-NH1 2.71Å
187P84.6Confident86.5Confident11 Ų1121.9 Ų21.97%0.07111%0.112CC..  trans-70.5-8.1177.731.2-36.3000112.9F107 R124 I196F107-P187 HydrophobicContact CD2-CB 4.49Å; F107-P187 HydrophobicContact CE2-CB 3.61Å; F107-P187 HydrophobicContact CE2-CG 4.4Å; F107-P187 HydrophobicContact CZ-CB 3.76Å; F107-P187 HydrophobicContact CZ-CG 4.24Å; R124-P187 WeakPolarHBondContact CG-O 3.29Å; R124-P187 PolarHBondContact NE-O 3.06Å; P187-I196 HydrophobicContact CG-CD1 3.48Å; P187-I196 VanDerWaalsContact CG-CD1 3.48Å; P187-I196 HydrophobicContact CG-CG1 4.16Å; P187-I196 HydrophobicContact CG-CG2 4.32Å
188R84.1Confident85.5Confident29 Ų2923.8 Ų23.811%0.10912%0.122CC..  trans54.7-174.2-177.6-51.6-72.8-74164.210.2112.2R124 V158 R159 D186 S257 L258 K259R124-R188 PolarHBondContact NH2-O 3.33Å; V158-R188 HydrophobicContact CG1-CB 3.77Å; R159-R188 WeakPolarHBondContact O-CG 3.26Å; D186-R188 PolarHBondContact O-N 3.03Å; D186-R188 WeakPolarHBondContact OD1-CA 3.42Å; D186-R188 WeakPolarHBondContact OD1-CD 3.39Å; D186-R188 PolarHBondContact OD1-N 3.04Å; D186-R188 WeakPolarHBondContact OD2-CD 3.38Å; D186-R188 IonicContact OD2-NH1 3.14Å; D186-R188 PolarHBondContact OD2-NH1 2.71Å; R188-S257 PolarHBondContact NH2-O 2.94Å; R188-L258 PolarHBondContact NH1-O 3.13Å; R188-L258 VanDerWaalsContact NH1-O 3.13Å; R188-L258 VanDerWaalsContact NH2-CA 3.26Å; R188-L258 PolarHBondContact NH2-O 2.95Å; R188-K259 PolarHBondContact NH1-O 2.97Å; R188-K259 PolarHBondContact NH2-O 3.36Å
189G77.9Confident84.6Confident23 Ų2322 Ų2224%0.23712%0.116CC..SBendtrans84-155.3-174.800000111.9V261G189-V261 WeakPolarHBondContact O-CB 3.3Å; G189-V261 WeakPolarHBondContact O-CG1 3.32Å; G189-V261 WeakPolarHBondContact O-CG2 3.36Å
190D73Confident83.7Confident101 Ų10123.8 Ų23.854%0.5413%0.127SC..SBendtrans-99.56.9-165.6-56.4-42.4000115.1P192D190-P192 WeakPolarHBondContact O-CD 3.44Å
191I71.4Confident82.7Confident2 Ų224.3 Ų24.31%0.0113%0.131CC..SBendtrans-82.1123.7-178.3-52.9175.2000108.9F107 L111 F121 S193 A195 I196 V275F107-I191 HydrophobicContact CE1-CD1 3.74Å; F107-I191 HydrophobicContact CZ-CD1 4.18Å; L111-I191 HydrophobicContact CD1-CD1 4.31Å; F121-I191 HydrophobicContact CD1-CD1 4.1Å; F121-I191 HydrophobicContact CD1-CG1 4.29Å; F121-I191 HydrophobicContact CE1-CD1 3.72Å; F121-I191 HydrophobicContact CE1-CG1 3.54Å; F121-I191 HydrophobicContact CE2-CD1 4.25Å; F121-I191 HydrophobicContact CZ-CD1 3.77Å; F121-I191 HydrophobicContact CZ-CG1 3.74Å; I191-S193 PolarHBondContact O-N 2.86Å; I191-A195 HydrophobicContact CG2-CB 4.29Å; I191-I196 HydrophobicContact CB-CD1 4.05Å; I191-I196 HydrophobicContact CB-CG1 4.18Å; I191-I196 HydrophobicContact CG2-CD1 4.1Å; I191-I196 HydrophobicContact CG2-CG1 3.7Å; I191-I196 WeakPolarHBondContact O-CD1 3.26Å; I191-V275 HydrophobicContact CG2-CG1 4.21Å
192P76.3Confident81.9Confident2 Ų227 Ų271%0.01314%0.144CC..  trans-57.3140.4178.6-25.835.3000113.1D190 W194 A195 I196 E263 V266 A271D190-P192 WeakPolarHBondContact O-CD 3.44Å; P192-W194 VanDerWaalsContact C-N 3.29Å; P192-W194 HydrophobicContact CB-CD2 4.5Å; P192-W194 HydrophobicContact CB-CG 4.29Å; P192-W194 VanDerWaalsContact CB-NE1 3.26Å; P192-W194 PolarHBondContact O-N 2.81Å; P192-A195 HydrophobicContact CB-CB 4.43Å; P192-A195 WeakPolarHBondContact O-CB 3.49Å; P192-A195 PolarHBondContact O-N 3.24Å; P192-I196 PolarHBondContact O-N 3.25Å; P192-E263 HydrophobicContact CB-CG 4.43Å; P192-V266 HydrophobicContact CG-CB 4.29Å; P192-A271 HydrophobicContact CG-CB 4.2Å
193S81Confident81.2Confident12 Ų1227.7 Ų27.78%0.08415%0.148CC..Hα-helixtrans-57.7-39.5-177.852.50000113N50 I191 A195 I196 N197 E263N50-S193 WeakPolarHBondContact CB-OG 3.18Å; I191-S193 PolarHBondContact O-N 2.86Å; S193-A195 VanDerWaalsContact C-N 3.27Å; S193-A195 PolarHBondContact O-N 3.47Å; S193-I196 PolarHBondContact O-N 3.43Å; S193-N197 WeakPolarHBondContact O-CB 3.46Å; S193-N197 PolarHBondContact O-N 2.91Å; S193-N197 PolarHBondContact O-ND2 2.84Å; S193-N197 VanDerWaalsContact O-ND2 3.08Å; S193-E263 PolarHBondContact N-OE1 3.06Å; S193-E263 PolarHBondContact OG-OE1 3.38Å
194W78.9Confident80.7Confident55 Ų5527.7 Ų27.721%0.20815%0.148CC..Hα-helixtrans-60.7-36.9176.467-100.4000112.5P192 N197 L198 K268 A271 L272 L283P192-W194 VanDerWaalsContact C-N 3.29Å; P192-W194 HydrophobicContact CB-CD2 4.5Å; P192-W194 HydrophobicContact CB-CG 4.29Å; P192-W194 VanDerWaalsContact CB-NE1 3.26Å; P192-W194 PolarHBondContact O-N 2.81Å; W194-N197 PolarHBondContact O-N 2.77Å; W194-L198 WeakPolarHBondContact O-CB 3.4Å; W194-L198 PolarHBondContact O-N 2.78Å; W194-K268 HydrophobicContact CH2-CG 4.21Å; W194-A271 HydrophobicContact CH2-CB 3.37Å; W194-A271 HydrophobicContact CZ2-CB 3.22Å; W194-A271 HydrophobicContact CZ3-CB 4.46Å; W194-L272 HydrophobicContact CH2-CD2 4.13Å; W194-L272 HydrophobicContact CH2-CG 4.01Å; W194-L272 HydrophobicContact CZ3-CD2 3.78Å; W194-L272 HydrophobicContact CZ3-CG 4.19Å; W194-L283 HydrophobicContact CD2-CD2 4.26Å; W194-L283 HydrophobicContact CE3-CD1 4.35Å; W194-L283 HydrophobicContact CE3-CD2 3.39Å; W194-L283 HydrophobicContact CH2-CD2 4.45Å; W194-L283 HydrophobicContact CZ3-CD1 4.47Å; W194-L283 HydrophobicContact CZ3-CD2 3.53Å
195A76.8Confident80.4Confident0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-70.9-44.8-178.200000110.1I191 P192 S193 L198 A199 A271 V275I191-A195 HydrophobicContact CG2-CB 4.29Å; P192-A195 HydrophobicContact CB-CB 4.43Å; P192-A195 WeakPolarHBondContact O-CB 3.49Å; P192-A195 PolarHBondContact O-N 3.24Å; S193-A195 VanDerWaalsContact C-N 3.27Å; S193-A195 PolarHBondContact O-N 3.47Å; A195-L198 PolarHBondContact O-N 2.67Å; A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 2.79Å; A195-A271 HydrophobicContact CB-CB 4.24Å; A195-V275 HydrophobicContact CB-CG1 3.76Å; A195-V275 HydrophobicContact CB-CG2 3.96Å
196I80.3Confident80.1Confident20 Ų2032.3 Ų32.310%0.10317%0.165CC..Hα-helixtrans-57.1-52.4173.1-67159.4000110M51 P187 I191 P192 S193 L198 A199 T200M51-I196 HydrophobicContact CE-CD1 3.63Å; M51-I196 HydrophobicContact SD-CB 4.36Å; M51-I196 HydrophobicContact SD-CD1 4.12Å; M51-I196 HydrophobicContact SD-CG2 4.15Å; P187-I196 HydrophobicContact CG-CD1 3.48Å; P187-I196 VanDerWaalsContact CG-CD1 3.48Å; P187-I196 HydrophobicContact CG-CG1 4.16Å; P187-I196 HydrophobicContact CG-CG2 4.32Å; I191-I196 HydrophobicContact CB-CD1 4.05Å; I191-I196 HydrophobicContact CB-CG1 4.18Å; I191-I196 HydrophobicContact CG2-CD1 4.1Å; I191-I196 HydrophobicContact CG2-CG1 3.7Å; I191-I196 WeakPolarHBondContact O-CD1 3.26Å; P192-I196 PolarHBondContact O-N 3.25Å; S193-I196 PolarHBondContact O-N 3.43Å; I196-L198 PolarHBondContact O-N 2.95Å; I196-A199 WeakPolarHBondContact O-CB 3.31Å; I196-A199 PolarHBondContact O-N 2.72Å; I196-A199 VanDerWaalsContact O-N 3.13Å; I196-T200 PolarHBondContact O-N 3.38Å; I196-T200 PolarHBondContact O-OG1 2.91Å
197N84.8Confident79.9Confident14 Ų1435.5 Ų35.58%0.07518%0.182CC..Hα-helixtrans-54.5-40.1-179.1-73.6-27.5000112.6N50 K52 S193 W194N50-N197 PolarHBondContact O-ND2 3.04Å; K52-N197 HydrophobicContact CB-CB 4.43Å; K52-N197 WeakPolarHBondContact CB-OD1 3.36Å; K52-N197 HydrophobicContact CD-CB 4.13Å; K52-N197 HydrophobicContact CG-CB 4.32Å; K52-N197 PolarHBondContact N-OD1 3.07Å; S193-N197 WeakPolarHBondContact O-CB 3.46Å; S193-N197 PolarHBondContact O-N 2.91Å; S193-N197 PolarHBondContact O-ND2 2.84Å; S193-N197 VanDerWaalsContact O-ND2 3.08Å; W194-N197 PolarHBondContact O-N 2.77Å
198L78.3Confident80.1Confident40 Ų4035.6 Ų35.621%0.20918%0.183CC..Hα-helixtrans-73.4-44.1179.9-169.453.5000111.6W194 A195 I196 T200 T201 L272 L277 T281 L283W194-L198 WeakPolarHBondContact O-CB 3.4Å; W194-L198 PolarHBondContact O-N 2.78Å; A195-L198 PolarHBondContact O-N 2.67Å; I196-L198 PolarHBondContact O-N 2.95Å; L198-T200 PolarHBondContact O-N 2.9Å; L198-T201 PolarHBondContact O-N 2.85Å; L198-T201 PolarHBondContact O-OG1 3.1Å; L198-L272 HydrophobicContact CD2-CD2 4.46Å; L198-L277 HydrophobicContact CB-CD1 3.92Å; L198-L277 HydrophobicContact CD2-CD1 3.26Å; L198-L277 HydrophobicContact CG-CD1 3.35Å; L198-T281 HydrophobicContact CD1-CG2 4.49Å; L198-T281 HydrophobicContact CD2-CG2 3.66Å; L198-T281 HydrophobicContact CG-CG2 4.4Å; L198-L283 HydrophobicContact CD2-CD2 3.96Å
199A79.2Confident80.4Confident10 Ų1041 Ų418%0.08321%0.207CC..Hα-helixtrans-58.2-46.2176.500000111.8A195 I196 T201 K202 V203 V275A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 2.79Å; I196-A199 WeakPolarHBondContact O-CB 3.31Å; I196-A199 PolarHBondContact O-N 2.72Å; I196-A199 VanDerWaalsContact O-N 3.13Å; A199-T201 VanDerWaalsContact C-N 3.27Å; A199-T201 PolarHBondContact O-N 2.91Å; A199-K202 PolarHBondContact O-N 2.88Å; A199-V203 VanDerWaalsContact O-CG2 3.3Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 3.22Å; A199-V275 HydrophobicContact CB-CB 3.92Å; A199-V275 HydrophobicContact CB-CG1 4.19Å
200T78.6Confident80.9Confident42 Ų4241.4 Ų41.426%0.25821%0.206SC..Hα-helixtrans-65.8-30.1-172.3-44.60000112.7I54 I196 L198 K202 V203 A204I54-T200 HydrophobicContact CD1-CG2 3.11Å; I196-T200 PolarHBondContact O-N 3.38Å; I196-T200 PolarHBondContact O-OG1 2.91Å; L198-T200 PolarHBondContact O-N 2.9Å; T200-K202 VanDerWaalsContact C-N 3.28Å; T200-K202 PolarHBondContact O-N 3.3Å; T200-V203 PolarHBondContact O-N 2.95Å; T200-A204 WeakPolarHBondContact O-CB 3.42Å; T200-A204 PolarHBondContact O-N 3.12Å
201T77.4Confident81.8Confident26 Ų2637.2 Ų37.216%0.1618%0.183CC..Hα-helixtrans-64.6-30.3173.664.90000113.2R33 T43 L198 A199 P205R33-T201 HydrophobicContact CB-CG2 4.19Å; R33-T201 HydrophobicContact CG-CG2 4.15Å; T43-T201 HydrophobicContact CG2-CG2 3.62Å; L198-T201 PolarHBondContact O-N 2.85Å; L198-T201 PolarHBondContact O-OG1 3.1Å; A199-T201 VanDerWaalsContact C-N 3.27Å; A199-T201 PolarHBondContact O-N 2.91Å; T201-P205 VanDerWaalsContact O-CD 3.28Å; T201-P205 WeakPolarHBondContact O-CD 3.39Å
202K78.5Confident83Confident103 Ų10339.2 Ų39.245%0.44819%0.193SC..Hα-helixtrans-84.5-30.8175.2-62.7-166.9-178-177.10112.8A199 T200 L277A199-K202 PolarHBondContact O-N 2.88Å; T200-K202 VanDerWaalsContact C-N 3.28Å; T200-K202 PolarHBondContact O-N 3.3Å; K202-L277 HydrophobicContact CD-CD2 3.59Å
203V80.1Confident83.9Confident13 Ų1346.1 Ų46.18%0.07922%0.218CC..Hα-helixtrans-70.3-40.3177.5167.70000111.1V114 V115 A199 T200 R206 L207V114-V203 HydrophobicContact CG1-CB 4.19Å; V114-V203 HydrophobicContact CG1-CG1 3.92Å; V114-V203 HydrophobicContact CG1-CG2 3.78Å; V115-V203 HydrophobicContact CG2-CG2 3.69Å; A199-V203 VanDerWaalsContact O-CG2 3.3Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 3.22Å; T200-V203 PolarHBondContact O-N 2.95Å; V203-R206 WeakPolarHBondContact O-CB 3.29Å; V203-R206 PolarHBondContact O-N 2.74Å; V203-L207 HydrophobicContact CG1-CD1 3.62Å; V203-L207 HydrophobicContact CG1-CD2 4.42Å; V203-L207 HydrophobicContact CG1-CG 3.75Å; V203-L207 PolarHBondContact O-N 3Å
204A83.6Confident84.5Confident6 Ų645.7 Ų45.75%0.0522%0.216CC..Hα-helixtrans-52.3-49.8-174.700000114.4V41 V56 T200 R206 L207 V208V41-A204 HydrophobicContact CG1-CB 4.18Å; V41-A204 HydrophobicContact CG2-CB 4.01Å; V56-A204 HydrophobicContact CG2-CB 3.73Å; T200-A204 WeakPolarHBondContact O-CB 3.42Å; T200-A204 PolarHBondContact O-N 3.12Å; A204-R206 VanDerWaalsContact C-N 3.28Å; A204-R206 PolarHBondContact O-N 3.32Å; A204-L207 PolarHBondContact O-N 3.22Å; A204-V208 WeakPolarHBondContact O-CG2 3.47Å; A204-V208 PolarHBondContact O-N 3.49Å
205P84.3Confident85.4Confident30 Ų3043.1 Ų43.120%0.19521%0.207CC..Hα-helixtrans-61.9-32.8176.7-24.634.7000114V41 T201 K209V41-P205 HydrophobicContact CG2-CG 4.08Å; T201-P205 VanDerWaalsContact O-CD 3.28Å; T201-P205 WeakPolarHBondContact O-CD 3.39Å; P205-K209 PolarHBondContact O-N 3.45Å; P205-K209 VanDerWaalsContact O-N 3.12Å
206R84.1Confident86.4Confident127 Ų12747.3 Ų47.348%0.47923%0.228SC..Hα-helixtrans-70-40.6177.4-63.3-177.1-178.4-177.50.9111.1V114 V203 A204 K209 S210V114-R206 HydrophobicContact CG1-CB 4.48Å; V114-R206 PolarHBondContact O-NH1 2.99Å; V203-R206 WeakPolarHBondContact O-CB 3.29Å; V203-R206 PolarHBondContact O-N 2.74Å; A204-R206 VanDerWaalsContact C-N 3.28Å; A204-R206 PolarHBondContact O-N 3.32Å; R206-K209 PolarHBondContact O-N 3.15Å; R206-S210 PolarHBondContact O-N 3.26Å
207L83.7Confident87.2Confident79 Ų7950 Ų5041%0.41425%0.248SC..Hα-helixtrans-61.2-46174.5-67.9177.7000111.3V203 A204 K209 S210 L211V203-L207 HydrophobicContact CG1-CD1 3.62Å; V203-L207 HydrophobicContact CG1-CD2 4.42Å; V203-L207 HydrophobicContact CG1-CG 3.75Å; V203-L207 PolarHBondContact O-N 3Å; A204-L207 PolarHBondContact O-N 3.22Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.89Å; L207-S210 PolarHBondContact O-N 3.19Å; L207-S210 VanDerWaalsContact O-N 3.11Å; L207-L211 WeakPolarHBondContact O-CB 3.42Å; L207-L211 PolarHBondContact O-N 3.16Å
208V90.2Very high87.8Confident14 Ų1449.6 Ų49.69%0.08525%0.245CC..Hα-helixtrans-58.7-43176.2174.40000111.7V39 V56 A58 F60 A204 S210 L211 H212V39-V208 HydrophobicContact CG1-CB 4.5Å; V39-V208 HydrophobicContact CG1-CG1 4.46Å; V39-V208 HydrophobicContact CG1-CG2 4.23Å; V39-V208 HydrophobicContact CG2-CB 4.45Å; V39-V208 HydrophobicContact CG2-CG1 3.71Å; V56-V208 HydrophobicContact CG1-CG2 3.56Å; A58-V208 HydrophobicContact CB-CG1 3.64Å; A58-V208 HydrophobicContact CB-CG2 4.34Å; F60-V208 HydrophobicContact CE1-CG1 3.86Å; F60-V208 HydrophobicContact CZ-CG1 3.93Å; A204-V208 WeakPolarHBondContact O-CG2 3.47Å; A204-V208 PolarHBondContact O-N 3.49Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 2.86Å; V208-L211 PolarHBondContact O-N 3.46Å; V208-H212 WeakPolarHBondContact O-CB 3.46Å; V208-H212 PolarHBondContact O-N 3.14Å
209K89.6Confident88.7Confident142 Ų14250.9 Ų50.962%0.61726%0.256SS*.Hα-helixtrans-64.3-37.7176.3-173.2177.9-179.6-178.20112.3P205 R206 L207 R213P205-K209 PolarHBondContact O-N 3.45Å; P205-K209 VanDerWaalsContact O-N 3.12Å; R206-K209 PolarHBondContact O-N 3.15Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.89Å; K209-R213 WeakPolarHBondContact O-CG 3.28Å; K209-R213 PolarHBondContact O-N 2.77Å
210S89.2Confident89.6Confident31 Ų3152.4 Ų52.422%0.21727%0.273CS..Hα-helixtrans-67.6-45.3176.5-150.90000111.5R206 L207 V208 H212 R213 A214R206-S210 PolarHBondContact O-N 3.26Å; L207-S210 PolarHBondContact O-N 3.19Å; L207-S210 VanDerWaalsContact O-N 3.11Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 2.86Å; S210-H212 VanDerWaalsContact C-N 3.35Å; S210-H212 PolarHBondContact O-N 2.86Å; S210-R213 PolarHBondContact O-N 2.91Å; S210-A214 PolarHBondContact O-N 3.46Å
211L92.5Very high90.5Very high13 Ų1353.2 Ų53.27%0.06827%0.271CS..Hα-helixtrans-58.8-45.3175.7-172.8159.4000111.1F60 I68 M71 L72 W81 L179 L207 V208 R213 A214 A215F60-L211 HydrophobicContact CE2-CD2 4Å; F60-L211 HydrophobicContact CZ-CD2 3.84Å; I68-L211 HydrophobicContact CD1-CD2 3.71Å; I68-L211 HydrophobicContact CG2-CD2 4.47Å; M71-L211 HydrophobicContact CE-CD2 3.8Å; M71-L211 HydrophobicContact CE-CG 3.65Å; L72-L211 HydrophobicContact CD2-CD1 4.34Å; W81-L211 HydrophobicContact CZ3-CB 4.41Å; L179-L211 HydrophobicContact CD2-CD1 3.75Å; L179-L211 HydrophobicContact CD2-CD2 4.07Å; L207-L211 WeakPolarHBondContact O-CB 3.42Å; L207-L211 PolarHBondContact O-N 3.16Å; V208-L211 PolarHBondContact O-N 3.46Å; L211-R213 PolarHBondContact O-N 2.85Å; L211-A214 PolarHBondContact O-N 2.9Å; L211-A215 WeakPolarHBondContact O-CB 3.21Å; L211-A215 PolarHBondContact O-N 3.44Å
212H94.9Very high91.5Very high44 Ų4452.4 Ų52.420%0.20427%0.266CS..Hα-helixtrans-59.4-47.3177-176.5-149.7000112.4F60 D62 V208 S210 A214 A215 L216F60-H212 HydrophobicContact CD1-CB 4.03Å; F60-H212 AromaticContact CD1-CD2 3.61Å; F60-H212 AromaticContact CD1-CG 3.79Å; F60-H212 HydrophobicContact CE1-CB 3.69Å; F60-H212 AromaticContact CE1-CG 3.98Å; D62-H212 VanDerWaalsContact CG-NE2 3.35Å; D62-H212 IonicContact OD1-CD2 2.85Å; D62-H212 IonicContact OD1-CE1 3.83Å; D62-H212 IonicContact OD1-NE2 3.54Å; D62-H212 PolarHBondContact OD1-NE2 3.48Å; D62-H212 IonicContact OD2-CE1 3.32Å; D62-H212 IonicContact OD2-NE2 2.92Å; D62-H212 PolarHBondContact OD2-NE2 3.37Å; V208-H212 WeakPolarHBondContact O-CB 3.46Å; V208-H212 PolarHBondContact O-N 3.14Å; S210-H212 VanDerWaalsContact C-N 3.35Å; S210-H212 PolarHBondContact O-N 2.86Å; H212-A214 PolarHBondContact O-N 2.84Å; H212-A215 WeakPolarHBondContact O-CB 3.38Å; H212-A215 PolarHBondContact O-N 3.06Å; H212-L216 WeakPolarHBondContact O-CG 3.35Å; H212-L216 PolarHBondContact O-N 3.41Å
213R95Very high92.3Very high147 Ų14750.7 Ų50.756%0.55527%0.271SS*.Hα-helixtrans-61.1-44.2176.3-72.1-175.4-61.4166.66.8112.2K209 S210 L211 A215 L216 C217K209-R213 WeakPolarHBondContact O-CG 3.28Å; K209-R213 PolarHBondContact O-N 2.77Å; S210-R213 PolarHBondContact O-N 2.91Å; L211-R213 PolarHBondContact O-N 2.85Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 2.84Å; R213-L216 PolarHBondContact O-N 2.84Å; R213-C217 PolarHBondContact O-N 2.93Å
214A95.6Very high93.1Very high4 Ų457.9 Ų57.93%0.03330%0.303CS..Hα-helixtrans-61-40.6176.500000111.1M71 Y77 W81 S210 L211 H212 L216 C217 Y218M71-A214 HydrophobicContact SD-CB 3.57Å; M71-A214 VanDerWaalsContact SD-CB 3.57Å; Y77-A214 HydrophobicContact CE1-CB 4.12Å; Y77-A214 PolarHBondContact OH-O 2.89Å; W81-A214 HydrophobicContact CB-CB 3.79Å; W81-A214 HydrophobicContact CD2-CB 3.56Å; W81-A214 HydrophobicContact CE3-CB 3.99Å; W81-A214 HydrophobicContact CG-CB 3.46Å; W81-A214 VanDerWaalsContact CG-CB 3.46Å; S210-A214 PolarHBondContact O-N 3.46Å; L211-A214 PolarHBondContact O-N 2.9Å; H212-A214 PolarHBondContact O-N 2.84Å; A214-L216 PolarHBondContact O-N 3.24Å; A214-C217 PolarHBondContact O-N 2.91Å; A214-Y218 WeakPolarHBondContact O-CB 3.22Å; A214-Y218 PolarHBondContact O-N 2.94Å
215A97.2Very high93.8Very high1 Ų160.7 Ų60.71%0.00832%0.317CS..Hα-helixtrans-65.8-38.7-179.900000112.6V63 V67 I68 M71 L211 H212 R213 C217 Y218 P219V63-A215 HydrophobicContact CG1-CB 3.87Å; V63-A215 HydrophobicContact CG2-CB 4.2Å; V67-A215 HydrophobicContact CG1-CB 4.36Å; V67-A215 VanDerWaalsContact CG1-O 3.23Å; V67-A215 WeakPolarHBondContact CG1-O 3.32Å; I68-A215 HydrophobicContact CD1-CB 3.4Å; M71-A215 HydrophobicContact CE-CB 4.25Å; M71-A215 WeakPolarHBondContact SD-CA 3.48Å; M71-A215 HydrophobicContact SD-CB 3.83Å; M71-A215 PolarHBondContact SD-N 2.9Å; L211-A215 WeakPolarHBondContact O-CB 3.21Å; L211-A215 PolarHBondContact O-N 3.44Å; H212-A215 WeakPolarHBondContact O-CB 3.38Å; H212-A215 PolarHBondContact O-N 3.06Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 2.84Å; A215-C217 VanDerWaalsContact C-N 3.3Å; A215-C217 PolarHBondContact O-N 3.25Å; A215-Y218 PolarHBondContact O-N 3.25Å; A215-P219 VanDerWaalsContact O-CD 3.29Å; A215-P219 WeakPolarHBondContact O-CD 3.44Å
216L97.3Very high94.3Very high87 Ų8767 Ų6746%0.45534%0.338SS..Hα-helixtrans-63.6-35.3174.3-70.2169.4000112.4D62 V63 H212 R213 A214D62-L216 HydrophobicContact CB-CD2 4.47Å; V63-L216 HydrophobicContact CG2-CD2 3.79Å; V63-L216 HydrophobicContact CG2-CG 4.13Å; H212-L216 WeakPolarHBondContact O-CG 3.35Å; H212-L216 PolarHBondContact O-N 3.41Å; R213-L216 PolarHBondContact O-N 2.84Å; A214-L216 PolarHBondContact O-N 3.24Å
217C97Very high94.9Very high77 Ų7763.7 Ų63.752%0.5233%0.332SS..Hα-helixtrans-82.3-22.6179.1-69.90000113.7Y77 R213 A214 A215 G220 W221Y77-C217 WeakPolarHBondContact OH-CB 3.26Å; R213-C217 PolarHBondContact O-N 2.93Å; A214-C217 PolarHBondContact O-N 2.91Å; A215-C217 VanDerWaalsContact C-N 3.3Å; A215-C217 PolarHBondContact O-N 3.25Å; C217-G220 PolarHBondContact O-N 3.31Å; C217-W221 PolarHBondContact O-N 3.37Å; C217-W221 VanDerWaalsContact O-N 3.09Å
218Y97.9Very high95.4Very high5 Ų567.1 Ų67.12%0.0235%0.346CS..Hα-helixtrans-59.3-47.1-169.9179.5-107.3000114.4V67 D70 M71 D74 Y77 A214 A215 G220 W221 K222V67-Y218 HydrophobicContact CG1-CD1 4.2Å; D70-Y218 HydrophobicContact CB-CD1 4.39Å; D70-Y218 HydrophobicContact CB-CE1 3.41Å; D70-Y218 VanDerWaalsContact CB-CE1 3.41Å; M71-Y218 HydrophobicContact CB-CD1 4.16Å; M71-Y218 HydrophobicContact CB-CD2 4.15Å; M71-Y218 HydrophobicContact CB-CG 3.92Å; M71-Y218 HydrophobicContact CG-CD2 4.28Å; M71-Y218 HydrophobicContact CG-CG 4.28Å; D74-Y218 HydrophobicContact CB-CE2 3.84Å; D74-Y218 PolarHBondContact OD2-OH 2.66Å; Y77-Y218 AromaticContact CD1-CD2 3.36Å; Y77-Y218 HydrophobicContact CD1-CD2 3.36Å; Y77-Y218 HydrophobicContact CD1-CE2 4.03Å; Y77-Y218 HydrophobicContact CD1-CG 4.28Å; Y77-Y218 HydrophobicContact CD2-CD2 4.23Å; Y77-Y218 AromaticContact CE1-CD2 3.71Å; Y77-Y218 HydrophobicContact CE1-CD2 3.71Å; Y77-Y218 HydrophobicContact CE1-CG 4.26Å; Y77-Y218 AromaticContact CG-CD2 3.63Å; Y77-Y218 HydrophobicContact CG-CD2 3.63Å; Y77-Y218 HydrophobicContact CG-CE2 4.02Å; A214-Y218 WeakPolarHBondContact O-CB 3.22Å; A214-Y218 PolarHBondContact O-N 2.94Å; A215-Y218 PolarHBondContact O-N 3.25Å; Y218-G220 VanDerWaalsContact C-N 3.31Å; Y218-G220 PolarHBondContact O-N 2.97Å; Y218-W221 HydrophobicContact CD2-CE3 4.33Å; Y218-W221 HydrophobicContact CE2-CE3 4.14Å; Y218-W221 HydrophobicContact CE2-CZ3 4.28Å; Y218-W221 PolarHBondContact O-N 3.44Å; Y218-K222 HydrophobicContact CE1-CB 4.22Å; Y218-K222 HydrophobicContact CE1-CG 4.36Å; Y218-K222 HydrophobicContact CE2-CB 4.22Å; Y218-K222 HydrophobicContact CE2-CD 4.47Å; Y218-K222 WeakPolarHBondContact O-CB 3.49Å; Y218-K222 PolarHBondContact O-N 2.8Å
219P97.4Very high95.7Very high67 Ų6768.9 Ų68.944%0.43535%0.353SS..Hα-helixtrans-57.8-43.1-179.8-26.135.6000112.9V67 A215 K222 A223V67-P219 HydrophobicContact CG1-CG 4.02Å; V67-P219 HydrophobicContact CG2-CG 4.1Å; A215-P219 VanDerWaalsContact O-CD 3.29Å; A215-P219 WeakPolarHBondContact O-CD 3.44Å; P219-K222 PolarHBondContact O-N 3.24Å; P219-A223 WeakPolarHBondContact O-CB 3.24Å; P219-A223 PolarHBondContact O-N 2.66Å; P219-A223 VanDerWaalsContact O-N 3.09Å
220G97.3Very high96.1Very high42 Ų4264.5 Ų64.543%0.43333%0.334SS..Hα-helixtrans-65.8-42.4178.100000112.6C217 Y218C217-G220 PolarHBondContact O-N 3.31Å; Y218-G220 VanDerWaalsContact C-N 3.31Å; Y218-G220 PolarHBondContact O-N 2.97Å
221W97.5Very high96.4Very high60 Ų6064.1 Ų64.123%0.22733%0.33CS..Hα-helixtrans-64.4-46.3174.7179.891.5000111.6N76 Y77 C217 Y218 A223 Q224 N225N76-W221 HydrophobicContact CB-CH2 3.85Å; N76-W221 HydrophobicContact CB-CZ2 4.37Å; Y77-W221 HydrophobicContact CD2-CB 4.04Å; Y77-W221 AromaticContact CD2-CD1 3.94Å; Y77-W221 AromaticContact CD2-CD2 3.25Å; Y77-W221 HydrophobicContact CD2-CD2 3.25Å; Y77-W221 AromaticContact CD2-CE2 3.67Å; Y77-W221 AromaticContact CD2-CE3 3.51Å; Y77-W221 HydrophobicContact CD2-CE3 3.51Å; Y77-W221 AromaticContact CD2-CG 3.48Å; Y77-W221 HydrophobicContact CD2-CG 3.48Å; Y77-W221 VanDerWaalsContact CD2-CG 3.48Å; Y77-W221 HydrophobicContact CD2-CH2 4.49Å; Y77-W221 HydrophobicContact CD2-CZ2 4.27Å; Y77-W221 HydrophobicContact CD2-CZ3 4.14Å; Y77-W221 HydrophobicContact CE2-CB 3.66Å; Y77-W221 AromaticContact CE2-CD1 3.93Å; Y77-W221 AromaticContact CE2-CD2 3.84Å; Y77-W221 HydrophobicContact CE2-CD2 3.84Å; Y77-W221 HydrophobicContact CE2-CE3 4.31Å; Y77-W221 AromaticContact CE2-CG 3.51Å; Y77-W221 HydrophobicContact CE2-CG 3.51Å; Y77-W221 HydrophobicContact CG-CD2 4.15Å; Y77-W221 AromaticContact CG-CE3 3.95Å; Y77-W221 HydrophobicContact CG-CE3 3.95Å; Y77-W221 HydrophobicContact CG-CZ3 4.26Å; C217-W221 PolarHBondContact O-N 3.37Å; C217-W221 VanDerWaalsContact O-N 3.09Å; Y218-W221 HydrophobicContact CD2-CE3 4.33Å; Y218-W221 HydrophobicContact CE2-CE3 4.14Å; Y218-W221 HydrophobicContact CE2-CZ3 4.28Å; Y218-W221 PolarHBondContact O-N 3.44Å; W221-A223 VanDerWaalsContact C-N 3.33Å; W221-A223 PolarHBondContact O-N 3.46Å; W221-Q224 PolarHBondContact O-N 3.06Å; W221-N225 HydrophobicContact CD2-CB 3.99Å; W221-N225 VanDerWaalsContact CE2-CG 3.46Å; W221-N225 HydrophobicContact CE3-CB 4.01Å; W221-N225 HydrophobicContact CH2-CB 3.6Å; W221-N225 HydrophobicContact CZ2-CB 3.59Å; W221-N225 HydrophobicContact CZ3-CB 3.81Å; W221-N225 PolarHBondContact NE1-ND2 3.42Å; W221-N225 PolarHBondContact O-N 3.22Å; W221-N225 PolarHBondContact O-ND2 2.99Å
222K97.8Very high96.6Very high9 Ų964.2 Ų64.24%0.03933%0.33CS..Hα-helixtrans-65.1-36.7-174.8-17356.3171.5-175.10112.3D74 Y218 P219 Q224 N225 R226 P227 F229D74-K222 IonicContact OD2-NZ 3.94Å; D74-K222 PolarHBondContact OD2-NZ 2.85Å; Y218-K222 HydrophobicContact CE1-CB 4.22Å; Y218-K222 HydrophobicContact CE1-CG 4.36Å; Y218-K222 HydrophobicContact CE2-CB 4.22Å; Y218-K222 HydrophobicContact CE2-CD 4.47Å; Y218-K222 WeakPolarHBondContact O-CB 3.49Å; Y218-K222 PolarHBondContact O-N 2.8Å; P219-K222 PolarHBondContact O-N 3.24Å; K222-Q224 PolarHBondContact O-N 3.46Å; K222-Q224 VanDerWaalsContact O-N 3.15Å; K222-N225 PolarHBondContact O-N 2.84Å; K222-N225 VanDerWaalsContact O-N 3.09Å; K222-R226 WeakPolarHBondContact CE-O 3.47Å; K222-R226 PolarHBondContact NZ-O 3.29Å; K222-P227 WeakPolarHBondContact O-CA 3.48Å; K222-F229 WeakPolarHBondContact CE-O 3.08Å; K222-F229 PolarHBondContact NZ-O 3.41Å
223A97.4Very high96.6Very high67 Ų6766 Ų6655%0.55434%0.335SS*.Hα-helixtrans-54.8-30.7173.800000113P219 W221P219-A223 WeakPolarHBondContact O-CB 3.24Å; P219-A223 PolarHBondContact O-N 2.66Å; P219-A223 VanDerWaalsContact O-N 3.09Å; W221-A223 VanDerWaalsContact C-N 3.33Å; W221-A223 PolarHBondContact O-N 3.46Å
224Q96.9Very high96.6Very high163 Ų16361.3 Ų61.376%0.76232%0.321SS*.Hα-helixtrans-97.5-9.3-178.8-59.3174.430.500113.4W221 K222W221-Q224 PolarHBondContact O-N 3.06Å; K222-Q224 PolarHBondContact O-N 3.46Å; K222-Q224 VanDerWaalsContact O-N 3.15Å
225N96.5Very high96.6Very high65 Ų6563.8 Ų63.835%0.34834%0.337SS..SBendtrans-129.274.3-169.1-70-87.6000111.2W221 K222W221-N225 HydrophobicContact CD2-CB 3.99Å; W221-N225 VanDerWaalsContact CE2-CG 3.46Å; W221-N225 HydrophobicContact CE3-CB 4.01Å; W221-N225 HydrophobicContact CH2-CB 3.6Å; W221-N225 HydrophobicContact CZ2-CB 3.59Å; W221-N225 HydrophobicContact CZ3-CB 3.81Å; W221-N225 PolarHBondContact NE1-ND2 3.42Å; W221-N225 PolarHBondContact O-N 3.22Å; W221-N225 PolarHBondContact O-ND2 2.99Å; K222-N225 PolarHBondContact O-N 2.84Å; K222-N225 VanDerWaalsContact O-N 3.09Å
226R95.2Very high96.5Very high164 Ų16469.9 Ų69.962%0.61937%0.365SS*.  trans51.969-178.2-58.1178.667.3-174.6-0.5111.3K222 E228 F229K222-R226 WeakPolarHBondContact CE-O 3.47Å; K222-R226 PolarHBondContact NZ-O 3.29Å; R226-E228 VanDerWaalsContact C-N 3.27Å; R226-E228 PolarHBondContact O-N 3.17Å; R226-F229 HydrophobicContact CB-CB 3.76Å; R226-F229 WeakPolarHBondContact O-CB 3.46Å; R226-F229 PolarHBondContact O-N 2.86Å
227P96.2Very high96.5Very high56 Ų5668.4 Ų68.436%0.36436%0.356SS..THydrogen-bonded Turntrans-55.9-38.7-172.519.2-31.9000113.8K222 F229K222-P227 WeakPolarHBondContact O-CA 3.48Å; P227-F229 VanDerWaalsContact C-N 3.3Å; P227-F229 PolarHBondContact O-N 2.79Å
228E95.8Very high96.4Very high151 Ų15165.9 Ų65.971%0.70634%0.336SS*.THydrogen-bonded Turntrans-76.4-13.6-179.8-56.3-48.5126.200114R226 K230 Q237R226-E228 VanDerWaalsContact C-N 3.27Å; R226-E228 PolarHBondContact O-N 3.17Å; E228-K230 PolarHBondContact O-N 3.27Å; E228-Q237 PolarHBondContact O-NE2 3.1Å; E228-Q237 PolarHBondContact O-OE1 2.68Å
229F96.8Very high96.2Very high51 Ų5170 Ų7022%0.22436%0.359CS..  trans-84.796.5-177.3-173.4-106.4000110.7K222 R226 P227 P231 Q237K222-F229 WeakPolarHBondContact CE-O 3.08Å; K222-F229 PolarHBondContact NZ-O 3.41Å; R226-F229 HydrophobicContact CB-CB 3.76Å; R226-F229 WeakPolarHBondContact O-CB 3.46Å; R226-F229 PolarHBondContact O-N 2.86Å; P227-F229 VanDerWaalsContact C-N 3.3Å; P227-F229 PolarHBondContact O-N 2.79Å; F229-P231 HydrophobicContact CE1-CG 3.88Å; F229-P231 HydrophobicContact CE2-CG 4.3Å; F229-P231 HydrophobicContact CZ-CB 4.43Å; F229-P231 HydrophobicContact CZ-CG 3.76Å; F229-Q237 HydrophobicContact CD2-CB 4.28Å; F229-Q237 HydrophobicContact CE2-CB 4.12Å
230K96.7Very high96Very high50 Ų5075.7 Ų75.722%0.21738%0.376CS..  trans-136.468.7178.9-60.5-173.1-177.2-172.40110.2D70 E228 W232 R233 N234 Q237D70-K230 IonicContact OD2-NZ 3.29Å; D70-K230 PolarHBondContact OD2-NZ 3.09Å; E228-K230 PolarHBondContact O-N 3.27Å; K230-W232 HydrophobicContact CB-CD2 4.35Å; K230-W232 HydrophobicContact CB-CH2 4.41Å; K230-W232 HydrophobicContact CB-CZ2 3.86Å; K230-W232 HydrophobicContact CD-CZ2 4.37Å; K230-W232 HydrophobicContact CG-CH2 4.34Å; K230-W232 HydrophobicContact CG-CZ2 3.75Å; K230-W232 PolarHBondContact O-N 3.48Å; K230-R233 HydrophobicContact CB-CB 4.36Å; K230-R233 PolarHBondContact O-N 3.05Å; K230-N234 PolarHBondContact O-N 3.34Å; K230-Q237 VanDerWaalsContact C-OE1 3.31Å
231P95.9Very high95.8Very high23 Ų2378.1 Ų78.115%0.14939%0.387CS..THydrogen-bonded Turntrans-60.2-16.1-175.724.1-35.9000115.2F229 R233 N234 Q237 Q238F229-P231 HydrophobicContact CE1-CG 3.88Å; F229-P231 HydrophobicContact CE2-CG 4.3Å; F229-P231 HydrophobicContact CZ-CB 4.43Å; F229-P231 HydrophobicContact CZ-CG 3.76Å; P231-R233 VanDerWaalsContact C-N 3.34Å; P231-N234 WeakPolarHBondContact CA-O 3.41Å; P231-Q237 HydrophobicContact CB-CB 4.09Å; P231-Q238 HydrophobicContact CB-CG 3.91Å; P231-Q238 WeakPolarHBondContact O-CG 3.46Å; P231-Q238 PolarHBondContact O-NE2 2.8Å
232W95.5Very high95.7Very high15 Ų1576 Ų766%0.05738%0.381CS..THydrogen-bonded Turntrans-77.3-17.3172.654.592000114.1Y69 D70 H73 D74 W132 K230Y69-W232 AromaticContact CE1-CD1 3.74Å; D70-W232 HydrophobicContact CB-CZ2 4.23Å; D70-W232 PolarHBondContact OD1-NE1 3.22Å; H73-W232 HydrophobicContact CB-CB 3.85Å; H73-W232 HydrophobicContact CB-CD2 3.33Å; H73-W232 HydrophobicContact CB-CE3 3.65Å; H73-W232 HydrophobicContact CB-CG 3.4Å; H73-W232 VanDerWaalsContact CB-CG 3.4Å; H73-W232 HydrophobicContact CB-CZ2 4.45Å; H73-W232 HydrophobicContact CB-CZ3 4.33Å; H73-W232 AromaticContact CG-CD1 3.86Å; H73-W232 AromaticContact CG-CG 3.54Å; H73-W232 VanDerWaalsContact ND1-CB 3.31Å; H73-W232 WeakPolarHBondContact ND1-CB 3.44Å; H73-W232 AromaticContact ND1-CG 3.87Å; D74-W232 HydrophobicContact CB-CH2 3.55Å; D74-W232 HydrophobicContact CB-CZ2 4.17Å; D74-W232 HydrophobicContact CB-CZ3 4.13Å; D74-W232 WeakPolarHBondContact OD2-CH2 3.36Å; W132-W232 HydrophobicContact CZ2-CB 4.47Å; W132-W232 PolarHBondContact NE1-O 2.82Å; W132-W232 VanDerWaalsContact NE1-O 3.13Å; K230-W232 HydrophobicContact CB-CD2 4.35Å; K230-W232 HydrophobicContact CB-CH2 4.41Å; K230-W232 HydrophobicContact CB-CZ2 3.86Å; K230-W232 HydrophobicContact CD-CZ2 4.37Å; K230-W232 HydrophobicContact CG-CH2 4.34Å; K230-W232 HydrophobicContact CG-CZ2 3.75Å; K230-W232 PolarHBondContact O-N 3.48Å
233R95.5Very high95.6Very high81 Ų8178.9 Ų78.931%0.30640%0.4SS..THydrogen-bonded Turntrans-102.8-29.6170.9-66.3-173.9179.3-94.2-0.6112.5Y69 D70 K230 P231 P235Y69-R233 VanDerWaalsContact CD1-NH2 3.31Å; Y69-R233 HydrophobicContact CE1-CG 4.23Å; D70-R233 IonicContact OD1-CZ 3.22Å; D70-R233 IonicContact OD1-NE 2.69Å; D70-R233 PolarHBondContact OD1-NE 2.8Å; D70-R233 IonicContact OD1-NH2 2.9Å; D70-R233 PolarHBondContact OD1-NH2 2.63Å; D70-R233 IonicContact OD2-NE 3.63Å; D70-R233 IonicContact OD2-NH2 3.76Å; K230-R233 HydrophobicContact CB-CB 4.36Å; K230-R233 PolarHBondContact O-N 3.05Å; P231-R233 VanDerWaalsContact C-N 3.34Å; R233-P235 WeakPolarHBondContact O-CD 3.33Å
234N96.1Very high95.5Very high50 Ų5079.6 Ų79.627%0.26741%0.406SS..  trans-121.686.9-169.1-63.2-27.1000109.1K230 P231 E236 Q237K230-N234 PolarHBondContact O-N 3.34Å; P231-N234 WeakPolarHBondContact CA-O 3.41Å; N234-E236 WeakPolarHBondContact CA-OE2 3.49Å; N234-E236 WeakPolarHBondContact CB-OE1 3.3Å; N234-E236 PolarHBondContact O-N 2.85Å; N234-E236 VanDerWaalsContact O-N 3.09Å; N234-Q237 HydrophobicContact CB-CB 4.36Å; N234-Q237 HydrophobicContact CB-CG 3.81Å; N234-Q237 PolarHBondContact ND2-NE2 2.78Å; N234-Q237 WeakPolarHBondContact O-CB 3.4Å; N234-Q237 PolarHBondContact O-N 3.36Å
235P94.4Very high95.5Very high55 Ų5573.2 Ų73.236%0.35738%0.377SS..G310 helixtrans-53.6-30-175.9-28.736.9000114.5W96 R233 Q237 Q238W96-P235 HydrophobicContact CB-CB 4Å; W96-P235 HydrophobicContact CB-CG 3.99Å; W96-P235 HydrophobicContact CD2-CG 4.07Å; W96-P235 HydrophobicContact CE3-CG 3.76Å; W96-P235 HydrophobicContact CG-CG 4.21Å; R233-P235 WeakPolarHBondContact O-CD 3.33Å; P235-Q237 PolarHBondContact O-N 2.87Å; P235-Q238 VanDerWaalsContact O-CB 3.25Å; P235-Q238 WeakPolarHBondContact O-CB 3.44Å; P235-Q238 VanDerWaalsContact O-CG 3.32Å; P235-Q238 WeakPolarHBondContact O-CG 3.31Å; P235-Q238 PolarHBondContact O-N 3.14Å; P235-Q238 VanDerWaalsContact O-N 3.1Å
236E95.4Very high95.4Very high129 Ų12972.7 Ų72.760%0.60338%0.378SS*.G310 helixtrans-65.3-20.617873.4-75.7-179.800113.8N234N234-E236 WeakPolarHBondContact CA-OE2 3.49Å; N234-E236 WeakPolarHBondContact CB-OE1 3.3Å; N234-E236 PolarHBondContact O-N 2.85Å; N234-E236 VanDerWaalsContact O-N 3.09Å
237Q96.4Very high95.4Very high57 Ų5771.8 Ų71.827%0.26638%0.376SS..G310 helixtrans-87.3-5.9176.2-58.6-179.7-12.800112.9E228 F229 K230 P231 N234 P235E228-Q237 PolarHBondContact O-NE2 3.1Å; E228-Q237 PolarHBondContact O-OE1 2.68Å; F229-Q237 HydrophobicContact CD2-CB 4.28Å; F229-Q237 HydrophobicContact CE2-CB 4.12Å; K230-Q237 VanDerWaalsContact C-OE1 3.31Å; P231-Q237 HydrophobicContact CB-CB 4.09Å; N234-Q237 HydrophobicContact CB-CB 4.36Å; N234-Q237 HydrophobicContact CB-CG 3.81Å; N234-Q237 PolarHBondContact ND2-NE2 2.78Å; N234-Q237 WeakPolarHBondContact O-CB 3.4Å; N234-Q237 PolarHBondContact O-N 3.36Å; P235-Q237 PolarHBondContact O-N 2.87Å
238Q95Very high95.3Very high24 Ų2472.8 Ų72.811%0.11238%0.384CS..SBendtrans-67.7145-179.4-66.7-179.4-13.100111.4W96 P231 P235 K240W96-Q238 PolarHBondContact O-NE2 2.82Å; P231-Q238 HydrophobicContact CB-CG 3.91Å; P231-Q238 WeakPolarHBondContact O-CG 3.46Å; P231-Q238 PolarHBondContact O-NE2 2.8Å; P235-Q238 VanDerWaalsContact O-CB 3.25Å; P235-Q238 WeakPolarHBondContact O-CB 3.44Å; P235-Q238 VanDerWaalsContact O-CG 3.32Å; P235-Q238 WeakPolarHBondContact O-CG 3.31Å; P235-Q238 PolarHBondContact O-N 3.14Å; P235-Q238 VanDerWaalsContact O-N 3.1Å; Q238-K240 PolarHBondContact O-N 3.18Å; Q238-K240 VanDerWaalsContact O-N 3.16Å
239D93.6Very high95.4Very high92 Ų9266.7 Ų66.749%0.49236%0.356SS..  trans-61.8119.5178.7-173.9-5.4000110.1R93 S241 V242R93-D239 PolarHBondContact NH1-O 3.12Å; R93-D239 PolarHBondContact NH2-O 3.32Å; D239-S241 VanDerWaalsContact C-N 3.28Å; D239-S241 VanDerWaalsContact OD1-CB 3.28Å; D239-S241 WeakPolarHBondContact OD1-CB 3.46Å; D239-S241 PolarHBondContact OD1-N 3.36Å; D239-S241 PolarHBondContact OD1-OG 3.21Å; D239-S241 PolarHBondContact OD2-OG 3.13Å; D239-V242 HydrophobicContact CB-CG2 4.09Å
240K93.1Very high95.3Very high185 Ų18565.7 Ų65.780%0.80435%0.353SS*.THydrogen-bonded Turntrans-79.3-11.5-179.4-62.2-176.9-179.1178.80112.5Q238 V242Q238-K240 PolarHBondContact O-N 3.18Å; Q238-K240 VanDerWaalsContact O-N 3.16Å; K240-V242 VanDerWaalsContact C-N 3.32Å
241S94.8Very high95.2Very high93 Ų9365.1 Ų65.165%0.6535%0.352SS*.THydrogen-bonded Turntrans-76.4-20.9175.277.90000112.9D239 P243D239-S241 VanDerWaalsContact C-N 3.28Å; D239-S241 VanDerWaalsContact OD1-CB 3.28Å; D239-S241 WeakPolarHBondContact OD1-CB 3.46Å; D239-S241 PolarHBondContact OD1-N 3.36Å; D239-S241 PolarHBondContact OD1-OG 3.21Å; D239-S241 PolarHBondContact OD2-OG 3.13Å; S241-P243 WeakPolarHBondContact O-CD 3.31Å
242V94.5Very high94.9Very high17 Ų1775.6 Ų75.610%0.10339%0.388CS..SBendtrans-67.6120175.1178.90000109.1E90 R93 D239 K240E90-V242 HydrophobicContact CB-CG1 4.16Å; E90-V242 HydrophobicContact CB-CG2 3.96Å; R93-V242 HydrophobicContact CB-CG1 4.31Å; D239-V242 HydrophobicContact CB-CG2 4.09Å; K240-V242 VanDerWaalsContact C-N 3.32Å
243P96Very high94.7Very high69 Ų6982.1 Ų82.145%0.44842%0.419SS..PPolyproline II helixtrans-70.6154.9-174.729.6-35.7000111.6I91 C92 R93 S241I91-P243 WeakPolarHBondContact O-CD 3.23Å; I91-P243 VanDerWaalsContact O-CG 3.31Å; I91-P243 WeakPolarHBondContact O-CG 3.39Å; C92-P243 CarbonylContact C-O 3.53Å; C92-P243 WeakPolarHBondContact CA-O 3.37Å; C92-P243 HydrophobicContact CB-CG 4.33Å; C92-P243 WeakPolarHBondContact CB-O 3.48Å; R93-P243 PolarHBondContact N-O 2.8Å; S241-P243 WeakPolarHBondContact O-CD 3.31Å
244A95.8Very high94.4Very high81 Ų8179.6 Ų79.667%0.66941%0.414SS*.BIsolated β-bridgetrans-65.1153.4167.200000111R93 C246R93-A244 CarbonylContact O-C 3.57Å; A244-C246 PolarHBondContact O-N 2.84Å
245L95.8Very high94Very high29 Ų2980.9 Ų80.915%0.15242%0.42CS..PPolyproline II helixtrans-54.8126.9176176.467.9000111.4V9 R93 I94 I100 Y247 I250V9-L245 HydrophobicContact CG1-CD1 4.11Å; V9-L245 HydrophobicContact CG1-CD2 3.79Å; R93-L245 PolarHBondContact O-N 3.43Å; I94-L245 HydrophobicContact CD1-CD2 4.25Å; I94-L245 HydrophobicContact CG1-CB 4.27Å; I94-L245 HydrophobicContact CG1-CD2 4.06Å; I94-L245 HydrophobicContact CG2-CD2 4.14Å; I100-L245 HydrophobicContact CD1-CD1 4.06Å; L245-Y247 HydrophobicContact CD2-CD1 4.35Å; L245-Y247 HydrophobicContact CD2-CD2 4.44Å; L245-Y247 HydrophobicContact CD2-CE1 3.91Å; L245-Y247 HydrophobicContact CD2-CE2 3.99Å; L245-I250 HydrophobicContact CD1-CD1 3.76Å; L245-I250 HydrophobicContact CD1-CG1 3.92Å
246C95.6Very high93.5Very high55 Ų5580 Ų8037%0.37241%0.411SS..  trans-108.2110.9168.3-170.10000109.8A244 S248 D249A244-C246 PolarHBondContact O-N 2.84Å; C246-S248 PolarHBondContact O-N 3.38Å; C246-S248 VanDerWaalsContact O-N 3.12Å; C246-S248 PolarHBondContact SG-OG 3.47Å; C246-D249 WeakPolarHBondContact O-CB 3.37Å; C246-D249 PolarHBondContact O-N 2.92Å
247Y94Very high92.8Very high145 Ų14577.4 Ų77.457%0.56941%0.407SS*.G310 helixtrans-60.7-24.3-176.8-77.7-81.6000113.8L245 D249 I250L245-Y247 HydrophobicContact CD2-CD1 4.35Å; L245-Y247 HydrophobicContact CD2-CD2 4.44Å; L245-Y247 HydrophobicContact CD2-CE1 3.91Å; L245-Y247 HydrophobicContact CD2-CE2 3.99Å; Y247-D249 PolarHBondContact O-N 3.41Å; Y247-I250 PolarHBondContact O-N 3.08Å
248S95.2Very high91.8Very high76 Ų7678.8 Ų78.853%0.53142%0.416SS..G310 helixtrans-68.7-18.7174.864.50000113.4K149 C246K149-S248 WeakPolarHBondContact CD-O 3.41Å; K149-S248 WeakPolarHBondContact CE-O 3.34Å; K149-S248 PolarHBondContact NZ-O 3.35Å; C246-S248 PolarHBondContact O-N 3.38Å; C246-S248 VanDerWaalsContact O-N 3.12Å; C246-S248 PolarHBondContact SG-OG 3.47Å
249D96.1Very high90.2Very high24 Ų2485.3 Ų85.313%0.12844%0.444CS..G310 helixtrans-84.6-11.6176.6-67.3-25000112.6H148 K149 K150 C246 Y247H148-D249 CarbonylContact C-O 3.27Å; H148-D249 WeakPolarHBondContact CA-O 2.94Å; K149-D249 WeakPolarHBondContact CB-O 3.43Å; K149-D249 WeakPolarHBondContact CG-O 3.16Å; K149-D249 PolarHBondContact N-O 3.07Å; K150-D249 WeakPolarHBondContact CE-OD2 3.48Å; K150-D249 IonicContact NZ-OD2 3.42Å; K150-D249 PolarHBondContact NZ-OD2 2.88Å; C246-D249 WeakPolarHBondContact O-CB 3.37Å; C246-D249 PolarHBondContact O-N 2.92Å; Y247-D249 PolarHBondContact O-N 3.41Å
250I96.1Very high88.4Confident29 Ų2989.3 Ų89.315%0.14946%0.457CS..BIsolated β-bridgetrans-87.3128.7-179.1-53.9-53.7000110V9 I100 L245 Y247V9-I250 HydrophobicContact CB-CG1 4.45Å; V9-I250 HydrophobicContact CB-CG2 4.04Å; V9-I250 HydrophobicContact CG1-CD1 4.37Å; V9-I250 HydrophobicContact CG1-CG1 4.23Å; V9-I250 HydrophobicContact CG2-CD1 4.21Å; V9-I250 HydrophobicContact CG2-CG1 4.33Å; V9-I250 HydrophobicContact CG2-CG2 3.6Å; I100-I250 HydrophobicContact CD1-CD1 3.77Å; L245-I250 HydrophobicContact CD1-CD1 3.76Å; L245-I250 HydrophobicContact CD1-CG1 3.92Å; Y247-I250 PolarHBondContact O-N 3.08Å
251L94.7Very high86.6Confident38 Ų3881.7 Ų81.720%0.19943%0.426CS..  trans-91.2140.6175.2-62.2168.7000109.9F147 K149 E253 D255F147-L251 HydrophobicContact CB-CB 3.65Å; F147-L251 HydrophobicContact CB-CD1 4.4Å; F147-L251 PolarHBondContact O-N 3.5Å; K149-L251 HydrophobicContact CD-CD2 4.12Å; K149-L251 VanDerWaalsContact CE-CD2 3.5Å; K149-L251 HydrophobicContact CG-CD1 4.24Å; K149-L251 HydrophobicContact CG-CD2 3.5Å; K149-L251 VanDerWaalsContact CG-CD2 3.5Å; K149-L251 HydrophobicContact CG-CG 3.68Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 VanDerWaalsContact CB-O 3.32Å; L251-E253 WeakPolarHBondContact CB-O 3.49Å; L251-D255 HydrophobicContact CD1-CB 3.96Å
252R89.9Confident84.5Confident244 Ų24483.8 Ų83.892%0.92143%0.425SS*.SBendtrans-74.9-26.6175.8-67.8-177.3177.9176.1-0.5112.8
253E90.3Very high82.5Confident152 Ų15286.6 Ų86.671%0.7144%0.437SS*.SBendtrans-133.9154.4-178.2-68.8-173.9-179.600108.9L251L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 VanDerWaalsContact CB-O 3.32Å; L251-E253 WeakPolarHBondContact CB-O 3.49Å
254P89.9Confident80.3Confident28 Ų2891.6 Ų91.618%0.18245%0.452CS..  trans-63142.2175.324.5-30.7000111F147 F256 L258F147-P254 HydrophobicContact CD1-CB 3.86Å; F147-P254 HydrophobicContact CE1-CB 3.61Å; F147-P254 HydrophobicContact CE1-CG 4.2Å; F147-P254 HydrophobicContact CE2-CB 4.47Å; F147-P254 HydrophobicContact CE2-CG 4.46Å; F147-P254 HydrophobicContact CG-CB 4.41Å; F147-P254 HydrophobicContact CZ-CB 3.94Å; F147-P254 HydrophobicContact CZ-CG 4.03Å; P254-F256 HydrophobicContact CB-CD1 3.79Å; P254-F256 HydrophobicContact CB-CD2 4.3Å; P254-F256 HydrophobicContact CB-CE1 3.48Å; P254-F256 VanDerWaalsContact CB-CE1 3.48Å; P254-F256 HydrophobicContact CB-CE2 4.07Å; P254-F256 HydrophobicContact CB-CG 4.18Å; P254-F256 HydrophobicContact CB-CZ 3.65Å; P254-F256 PolarHBondContact O-N 3.5Å; P254-L258 HydrophobicContact CG-CD1 3.7Å; P254-L258 HydrophobicContact CG-CD2 3.83Å; P254-L258 HydrophobicContact CG-CG 3.56Å
255D86.4Confident78.3Confident77 Ų7795.6 Ų95.641%0.41246%0.456SS..SBendtrans-80.816.1170.958.5-17.2000112.9P153 L251P153-D255 WeakPolarHBondContact CD-OD1 3.42Å; P153-D255 VanDerWaalsContact CD-OD2 3.26Å; P153-D255 WeakPolarHBondContact CD-OD2 3.27Å; L251-D255 HydrophobicContact CD1-CB 3.96Å
256F85.1Confident76.6Confident37 Ų3795.5 Ų95.516%0.16246%0.456CS..SBendtrans-136.5154.7177.154.9-83.5000111.2F147 P153 R159 L161 P254 L258F147-F256 HydrophobicContact CD1-CE1 4.34Å; F147-F256 HydrophobicContact CE1-CE1 4.39Å; F147-F256 HydrophobicContact CE1-CZ 4.2Å; P153-F256 HydrophobicContact CG-CB 3.94Å; P153-F256 HydrophobicContact CG-CD1 3.75Å; P153-F256 HydrophobicContact CG-CG 4.17Å; R159-F256 HydrophobicContact CB-CD1 4.43Å; R159-F256 HydrophobicContact CB-CE1 4.38Å; R159-F256 HydrophobicContact CB-CE2 4.43Å; R159-F256 HydrophobicContact CB-CZ 4.36Å; R159-F256 HydrophobicContact CG-CD1 3.86Å; R159-F256 HydrophobicContact CG-CD2 4.32Å; R159-F256 HydrophobicContact CG-CE1 3.38Å; R159-F256 HydrophobicContact CG-CE2 3.87Å; R159-F256 HydrophobicContact CG-CG 4.32Å; R159-F256 HydrophobicContact CG-CZ 3.37Å; L161-F256 HydrophobicContact CD2-CE2 4.22Å; L161-F256 HydrophobicContact CD2-CZ 3.8Å; L161-F256 HydrophobicContact CG-CE2 4.41Å; L161-F256 HydrophobicContact CG-CZ 4.46Å; P254-F256 HydrophobicContact CB-CD1 3.79Å; P254-F256 HydrophobicContact CB-CD2 4.3Å; P254-F256 HydrophobicContact CB-CE1 3.48Å; P254-F256 VanDerWaalsContact CB-CE1 3.48Å; P254-F256 HydrophobicContact CB-CE2 4.07Å; P254-F256 HydrophobicContact CB-CG 4.18Å; P254-F256 HydrophobicContact CB-CZ 3.65Å; P254-F256 PolarHBondContact O-N 3.5Å; F256-L258 HydrophobicContact CE2-CD2 4.18Å; F256-L258 PolarHBondContact O-N 3.19Å
257S80.4Confident75.4Confident73 Ų7396 Ų9651%0.5146%0.461SS..  trans-63122.5-179.2177.20000112R188 K259R188-S257 PolarHBondContact NH2-O 2.94Å; S257-K259 VanDerWaalsContact C-N 3.26Å; S257-K259 VanDerWaalsContact OG-CB 3.31Å; S257-K259 WeakPolarHBondContact OG-CB 2.81Å; S257-K259 VanDerWaalsContact OG-CG 3.23Å; S257-K259 WeakPolarHBondContact OG-CG 3.42Å; S257-K259 PolarHBondContact OG-N 3.31Å
258L75.1Confident74.4Confident87 Ų8793 Ų9346%0.45545%0.451SS..  trans-80.5-0.8168.5-69.4-177.5000113.8L161 R188 P254 F256 K260L161-L258 HydrophobicContact CD1-CD2 3.57Å; R188-L258 PolarHBondContact NH1-O 3.13Å; R188-L258 VanDerWaalsContact NH1-O 3.13Å; R188-L258 VanDerWaalsContact NH2-CA 3.26Å; R188-L258 PolarHBondContact NH2-O 2.95Å; P254-L258 HydrophobicContact CG-CD1 3.7Å; P254-L258 HydrophobicContact CG-CD2 3.83Å; P254-L258 HydrophobicContact CG-CG 3.56Å; F256-L258 HydrophobicContact CE2-CD2 4.18Å; F256-L258 PolarHBondContact O-N 3.19Å; L258-K260 PolarHBondContact O-N 3.19Å
259K62.5Low73.3Confident160 Ų16095.2 Ų95.270%0.69645%0.453SS*.  trans-46.1137.2-177.1-74-179.3-177-177.90110.9R188 S257 V261R188-K259 PolarHBondContact NH1-O 2.97Å; R188-K259 PolarHBondContact NH2-O 3.36Å; S257-K259 VanDerWaalsContact C-N 3.26Å; S257-K259 VanDerWaalsContact OG-CB 3.31Å; S257-K259 WeakPolarHBondContact OG-CB 2.81Å; S257-K259 VanDerWaalsContact OG-CG 3.23Å; S257-K259 WeakPolarHBondContact OG-CG 3.42Å; S257-K259 PolarHBondContact OG-N 3.31Å; K259-V261 PolarHBondContact O-N 3.05Å
260K55.8Low72.2Confident176 Ų17698.2 Ų98.277%0.76547%0.465SS*.  trans-50.2135.7179.6-75.3-179.1175.9-179.80109L258 H262L258-K260 PolarHBondContact O-N 3.19Å; K260-H262 PolarHBondContact O-N 3.29Å
261V54.9Low70.9Confident26 Ų2696.8 Ų96.816%0.15846%0.457CS..  trans-38.8126.1167.6168.90000108.8G189 K259 E263G189-V261 WeakPolarHBondContact O-CB 3.3Å; G189-V261 WeakPolarHBondContact O-CG1 3.32Å; G189-V261 WeakPolarHBondContact O-CG2 3.36Å; K259-V261 PolarHBondContact O-N 3.05Å; V261-E263 HydrophobicContact CB-CG 4.37Å; V261-E263 HydrophobicContact CG1-CG 3.93Å; V261-E263 PolarHBondContact O-N 2.88Å
262H51.3Low69.8Low136 Ų13695 Ų9563%0.6345%0.448SS*.  trans-69.483.8173-81.9-79.4000108.1K260 K264K260-H262 PolarHBondContact O-N 3.29Å; H262-K264 PolarHBondContact O-N 3.34Å
263E52.4Low68.9Low76 Ų7688.6 Ų88.636%0.35543%0.427SS..G310 helixtrans-67.79.5177.8-64.3-173.4154.300112.9P192 S193 V261P192-E263 HydrophobicContact CB-CG 4.43Å; S193-E263 PolarHBondContact N-OE1 3.06Å; S193-E263 PolarHBondContact OG-OE1 3.38Å; V261-E263 HydrophobicContact CB-CG 4.37Å; V261-E263 HydrophobicContact CG1-CG 3.93Å; V261-E263 PolarHBondContact O-N 2.88Å
264K49.5Very low67.7Low175 Ų17581.8 Ų81.876%0.76140%0.395SS*.G310 helixtrans-91.45.8-163.7-76.7-164173.8-172.90117H262H262-K264 PolarHBondContact O-N 3.34Å
265H53.5Low66.6Low165 Ų16580.7 Ų80.776%0.76439%0.388SS*.G310 helixtrans-135.718.7-179.8-64.4-62.3000115.7
266V60.4Low65.7Low26 Ų2678.6 Ų78.616%0.15839%0.385CS..  trans-123.5108.6179-171.10000109.3P192 K270 A271 E274P192-V266 HydrophobicContact CG-CB 4.29Å; V266-K270 HydrophobicContact CG1-CB 3.71Å; V266-K270 HydrophobicContact CG1-CD 3.97Å; V266-K270 HydrophobicContact CG1-CG 3.81Å; V266-A271 HydrophobicContact CG1-CB 3.64Å; V266-A271 VanDerWaalsContact CG1-N 3.29Å; V266-E274 WeakPolarHBondContact CG1-OE1 2.91Å
267S70Confident64.9Low67 Ų6777.4 Ų77.447%0.46938%0.38SS..  trans-60.2155.9173.466.80000110.6E269 K270 A271S267-E269 PolarHBondContact O-N 2.76Å; S267-E269 VanDerWaalsContact O-N 3.17Å; S267-K270 PolarHBondContact O-N 3.36Å; S267-K270 WeakPolarHBondContact OG-CB 3.39Å; S267-K270 PolarHBondContact OG-N 2.81Å; S267-K270 VanDerWaalsContact OG-N 3.12Å; S267-A271 WeakPolarHBondContact O-CB 3.28Å; S267-A271 PolarHBondContact O-N 3.02Å
268K72.3Confident64.5Low82 Ų8277.1 Ų77.136%0.35738%0.376SS..Hα-helixtrans-49.1-43.9174.2179.7175.1178.2171.20111.1W194 A271 L272 L283 D286W194-K268 HydrophobicContact CH2-CG 4.21Å; K268-A271 PolarHBondContact O-N 2.79Å; K268-L272 HydrophobicContact CG-CD1 3.93Å; K268-L272 HydrophobicContact CG-CG 4.32Å; K268-L272 WeakPolarHBondContact O-CB 3.4Å; K268-L272 VanDerWaalsContact O-CG 3.22Å; K268-L272 WeakPolarHBondContact O-CG 3.34Å; K268-L272 PolarHBondContact O-N 3.01Å; K268-L283 HydrophobicContact CD-CD1 3.85Å; K268-L283 HydrophobicContact CG-CD1 4.29Å; K268-D286 IonicContact NZ-OD2 3.01Å; K268-D286 PolarHBondContact NZ-OD2 3.41Å
269E73.9Confident64.5Low121 Ų12177.5 Ų77.557%0.56538%0.378SS*.Hα-helixtrans-61.3-46.1176.5-59.3-179.7173.100112.8S267 L272 K273 L279S267-E269 PolarHBondContact O-N 2.76Å; S267-E269 VanDerWaalsContact O-N 3.17Å; E269-L272 PolarHBondContact O-N 2.63Å; E269-K273 WeakPolarHBondContact O-CB 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 3.32Å; E269-L279 HydrophobicContact CB-CD2 3.83Å; E269-L279 HydrophobicContact CG-CD2 4.09Å
270K72.6Confident65.3Low87 Ų8776.2 Ų76.238%0.37838%0.379SS..Hα-helixtrans-65.4-42.7179.1-170.1-177.6171.1-171.70110.5V266 S267 K273 E274V266-K270 HydrophobicContact CG1-CB 3.71Å; V266-K270 HydrophobicContact CG1-CD 3.97Å; V266-K270 HydrophobicContact CG1-CG 3.81Å; S267-K270 PolarHBondContact O-N 3.36Å; S267-K270 WeakPolarHBondContact OG-CB 3.39Å; S267-K270 PolarHBondContact OG-N 2.81Å; S267-K270 VanDerWaalsContact OG-N 3.12Å; K270-K273 PolarHBondContact O-N 2.94Å; K270-E274 VanDerWaalsContact CE-OE1 3.23Å; K270-E274 WeakPolarHBondContact CE-OE1 3.23Å; K270-E274 WeakPolarHBondContact CG-OE1 2.91Å; K270-E274 WeakPolarHBondContact O-CB 3.22Å; K270-E274 WeakPolarHBondContact O-CG 3.45Å; K270-E274 PolarHBondContact O-N 3.24Å
271A69Low66.1Low0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-65.9-44177.400000111.7P192 W194 A195 V266 S267 K268 K273 E274 V275P192-A271 HydrophobicContact CG-CB 4.2Å; W194-A271 HydrophobicContact CH2-CB 3.37Å; W194-A271 HydrophobicContact CZ2-CB 3.22Å; W194-A271 HydrophobicContact CZ3-CB 4.46Å; A195-A271 HydrophobicContact CB-CB 4.24Å; V266-A271 HydrophobicContact CG1-CB 3.64Å; V266-A271 VanDerWaalsContact CG1-N 3.29Å; S267-A271 WeakPolarHBondContact O-CB 3.28Å; S267-A271 PolarHBondContact O-N 3.02Å; K268-A271 PolarHBondContact O-N 2.79Å; A271-K273 VanDerWaalsContact C-N 3.33Å; A271-K273 PolarHBondContact O-N 2.92Å; A271-E274 CarbonylContact O-C 3.55Å; A271-E274 WeakPolarHBondContact O-CB 3.33Å; A271-E274 PolarHBondContact O-N 3.27Å; A271-E274 VanDerWaalsContact O-N 3.15Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.4Å; A271-V275 PolarHBondContact O-N 2.8Å
272L71.5Confident66.7Low1 Ų176.3 Ų76.31%0.00538%0.379CS..Hα-helixtrans-60.5-43174.6-73.2174.2000111W194 L198 K268 E269 V275 G276 L277 L279 T281W194-L272 HydrophobicContact CH2-CD2 4.13Å; W194-L272 HydrophobicContact CH2-CG 4.01Å; W194-L272 HydrophobicContact CZ3-CD2 3.78Å; W194-L272 HydrophobicContact CZ3-CG 4.19Å; L198-L272 HydrophobicContact CD2-CD2 4.46Å; K268-L272 HydrophobicContact CG-CD1 3.93Å; K268-L272 HydrophobicContact CG-CG 4.32Å; K268-L272 WeakPolarHBondContact O-CB 3.4Å; K268-L272 VanDerWaalsContact O-CG 3.22Å; K268-L272 WeakPolarHBondContact O-CG 3.34Å; K268-L272 PolarHBondContact O-N 3.01Å; E269-L272 PolarHBondContact O-N 2.63Å; L272-V275 CarbonylContact O-C 3.3Å; L272-V275 VanDerWaalsContact O-C 3.3Å; L272-V275 PolarHBondContact O-N 3.48Å; L272-G276 PolarHBondContact O-N 3.01Å; L272-L277 HydrophobicContact CB-CB 4.31Å; L272-L277 HydrophobicContact CD2-CB 3.66Å; L272-L277 HydrophobicContact CD2-CD1 3.77Å; L272-L277 HydrophobicContact CD2-CG 4.38Å; L272-L277 PolarHBondContact O-N 3.45Å; L272-L279 WeakPolarHBondContact CD1-O 3.34Å; L272-T281 HydrophobicContact CD2-CG2 4.49Å
273K70.3Confident67.3Low108 Ų10871 Ų7147%0.4736%0.355SS..Hα-helixtrans-63.2-41.3172.4-74.2177.1-179.6176.20112.1P118 F119 E269 K270 A271 V275 G276 L279P118-K273 WeakPolarHBondContact CD-O 3.48Å; F119-K273 HydrophobicContact CE2-CB 4.35Å; E269-K273 WeakPolarHBondContact O-CB 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 3.32Å; K270-K273 PolarHBondContact O-N 2.94Å; A271-K273 VanDerWaalsContact C-N 3.33Å; A271-K273 PolarHBondContact O-N 2.92Å; K273-V275 PolarHBondContact O-N 2.81Å; K273-G276 PolarHBondContact O-N 2.78Å; K273-L279 HydrophobicContact CG-CD2 4.42Å
274E65.4Low67.6Low10 Ų1070.8 Ų70.85%0.04736%0.357CS..Hα-helixtrans-63.6-26.7176.4-78.7172.2-166.400113.2A117 F119 F121 V266 K270 A271A117-E274 WeakPolarHBondContact CB-O 3.21Å; F119-E274 HydrophobicContact CD2-CB 4.19Å; F119-E274 HydrophobicContact CD2-CG 3.46Å; F119-E274 VanDerWaalsContact CD2-CG 3.46Å; F119-E274 HydrophobicContact CE2-CB 4.33Å; F119-E274 HydrophobicContact CE2-CG 3.51Å; F119-E274 HydrophobicContact CG-CG 4.28Å; F119-E274 HydrophobicContact CZ-CG 4.37Å; F121-E274 HydrophobicContact CZ-CG 4.15Å; V266-E274 WeakPolarHBondContact CG1-OE1 2.91Å; K270-E274 VanDerWaalsContact CE-OE1 3.23Å; K270-E274 WeakPolarHBondContact CE-OE1 3.23Å; K270-E274 WeakPolarHBondContact CG-OE1 2.91Å; K270-E274 WeakPolarHBondContact O-CB 3.22Å; K270-E274 WeakPolarHBondContact O-CG 3.45Å; K270-E274 PolarHBondContact O-N 3.24Å; A271-E274 CarbonylContact O-C 3.55Å; A271-E274 WeakPolarHBondContact O-CB 3.33Å; A271-E274 PolarHBondContact O-N 3.27Å; A271-E274 VanDerWaalsContact O-N 3.15Å
275V66.9Low67.6Low5 Ų569.4 Ų69.43%0.0335%0.353CS..THydrogen-bonded Turntrans-109.222.1171.7-590000113.1V115 I191 A195 A199 A271 L272 K273 L277V115-V275 VanDerWaalsContact CG1-CA 3.42Å; V115-V275 HydrophobicContact CG1-CB 4.12Å; V115-V275 WeakPolarHBondContact CG1-O 3.47Å; I191-V275 HydrophobicContact CG2-CG1 4.21Å; A195-V275 HydrophobicContact CB-CG1 3.76Å; A195-V275 HydrophobicContact CB-CG2 3.96Å; A199-V275 HydrophobicContact CB-CB 3.92Å; A199-V275 HydrophobicContact CB-CG1 4.19Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.4Å; A271-V275 PolarHBondContact O-N 2.8Å; L272-V275 CarbonylContact O-C 3.3Å; L272-V275 VanDerWaalsContact O-C 3.3Å; L272-V275 PolarHBondContact O-N 3.48Å; K273-V275 PolarHBondContact O-N 2.81Å; V275-L277 HydrophobicContact CG2-CB 4.29Å; V275-L277 HydrophobicContact CG2-CD1 3.41Å; V275-L277 VanDerWaalsContact CG2-CD1 3.41Å; V275-L277 HydrophobicContact CG2-CG 3.71Å; V275-L277 WeakPolarHBondContact O-CG 3.46Å; V275-L277 PolarHBondContact O-N 3.15Å
276G66.5Low67Low33 Ų3366.6 Ų66.634%0.3434%0.343SS..THydrogen-bonded Turntrans49.236.517300000115V115 L272 K273V115-G276 VanDerWaalsContact O-CA 3.31Å; V115-G276 WeakPolarHBondContact O-CA 3.35Å; L272-G276 PolarHBondContact O-N 3.01Å; K273-G276 PolarHBondContact O-N 2.78Å
277L68.7Low65.7Low11 Ų1170 Ų706%0.05837%0.368CS..  trans-99.5144.7176.2-68.2175.6000110.6L198 K202 L272 V275 T281L198-L277 HydrophobicContact CB-CD1 3.92Å; L198-L277 HydrophobicContact CD2-CD1 3.26Å; L198-L277 HydrophobicContact CG-CD1 3.35Å; K202-L277 HydrophobicContact CD-CD2 3.59Å; L272-L277 HydrophobicContact CB-CB 4.31Å; L272-L277 HydrophobicContact CD2-CB 3.66Å; L272-L277 HydrophobicContact CD2-CD1 3.77Å; L272-L277 HydrophobicContact CD2-CG 4.38Å; L272-L277 PolarHBondContact O-N 3.45Å; V275-L277 HydrophobicContact CG2-CB 4.29Å; V275-L277 HydrophobicContact CG2-CD1 3.41Å; V275-L277 VanDerWaalsContact CG2-CD1 3.41Å; V275-L277 HydrophobicContact CG2-CG 3.71Å; V275-L277 WeakPolarHBondContact O-CG 3.46Å; V275-L277 PolarHBondContact O-N 3.15Å; L277-T281 HydrophobicContact CD1-CG2 4.45Å
278P71.5Confident63.8Low68 Ų6874.8 Ų74.844%0.44240%0.402SS..  trans-54.9144.6170.4-2736.9000112.1D280 T281P278-D280 WeakPolarHBondContact CB-OD1 3.46Å; P278-D280 PolarHBondContact O-N 3.23Å; P278-T281 VanDerWaalsContact O-CB 3.28Å; P278-T281 WeakPolarHBondContact O-CB 3.43Å; P278-T281 PolarHBondContact O-N 3.23Å; P278-T281 PolarHBondContact O-OG1 3.03Å
279L76.2Confident63.4Low94 Ų9474.5 Ų74.549%0.49240%0.404SS..THydrogen-bonded Turntrans-63.4-24.9-178-68.7173.6000113.2E269 L272 K273 T281E269-L279 HydrophobicContact CB-CD2 3.83Å; E269-L279 HydrophobicContact CG-CD2 4.09Å; L272-L279 WeakPolarHBondContact CD1-O 3.34Å; K273-L279 HydrophobicContact CG-CD2 4.42Å; L279-T281 PolarHBondContact O-N 2.9Å
280D78.7Confident62.8Low134 Ų13472 Ų7272%0.71740%0.396SS*.THydrogen-bonded Turntrans-82.16.9175.766.7-39.7000113.4P278 K282P278-D280 WeakPolarHBondContact CB-OD1 3.46Å; P278-D280 PolarHBondContact O-N 3.23Å; D280-K282 PolarHBondContact O-N 3.32Å
281T72.3Confident62.3Low21 Ų2171.2 Ų71.213%0.12940%0.397CS..  trans-63.4112.2179.3-55.70000110.5L198 L272 L277 P278 L279 L283L198-T281 HydrophobicContact CD1-CG2 4.49Å; L198-T281 HydrophobicContact CD2-CG2 3.66Å; L198-T281 HydrophobicContact CG-CG2 4.4Å; L272-T281 HydrophobicContact CD2-CG2 4.49Å; L277-T281 HydrophobicContact CD1-CG2 4.45Å; P278-T281 VanDerWaalsContact O-CB 3.28Å; P278-T281 WeakPolarHBondContact O-CB 3.43Å; P278-T281 PolarHBondContact O-N 3.23Å; P278-T281 PolarHBondContact O-OG1 3.03Å; L279-T281 PolarHBondContact O-N 2.9Å; T281-L283 PolarHBondContact O-N 3.01Å
282K67.2Low61.9Low182 Ų18275.4 Ų75.479%0.79142%0.42SS*.  trans-62.2128.2173.4-65.3-169.4177.7-171.50110.2D280D280-K282 PolarHBondContact O-N 3.32Å
283L65.3Low61.3Low25 Ų2580 Ų8013%0.13145%0.446CS..  trans-84.2141.6171.4-60.4177.4000108W194 L198 K268 T281 E285 D286W194-L283 HydrophobicContact CD2-CD2 4.26Å; W194-L283 HydrophobicContact CE3-CD1 4.35Å; W194-L283 HydrophobicContact CE3-CD2 3.39Å; W194-L283 HydrophobicContact CH2-CD2 4.45Å; W194-L283 HydrophobicContact CZ3-CD1 4.47Å; W194-L283 HydrophobicContact CZ3-CD2 3.53Å; L198-L283 HydrophobicContact CD2-CD2 3.96Å; K268-L283 HydrophobicContact CD-CD1 3.85Å; K268-L283 HydrophobicContact CG-CD1 4.29Å; T281-L283 PolarHBondContact O-N 3.01Å; L283-E285 PolarHBondContact O-N 3.03Å; L283-D286 PolarHBondContact N-OD2 2.96Å; L283-D286 WeakPolarHBondContact O-CB 3.49Å; L283-D286 PolarHBondContact O-N 2.82Å
284D58.5Low60.7Low72 Ų7278.1 Ų78.139%0.38544%0.444SS..G310 helixtrans-55.7-23.3174.8-75.6-34.5000111.7R33 K52 D286 S287R33-D284 IonicContact CZ-OD1 2.66Å; R33-D284 IonicContact CZ-OD2 3.67Å; R33-D284 IonicContact NH1-OD1 3.32Å; R33-D284 PolarHBondContact NH1-OD1 2.85Å; R33-D284 IonicContact NH1-OD2 2.8Å; R33-D284 PolarHBondContact NH1-OD2 2.89Å; R33-D284 VanDerWaalsContact NH1-OD2 3.14Å; R33-D284 IonicContact NH2-OD1 3.35Å; R33-D284 IonicContact NH2-OD2 3.72Å; R33-D284 PolarHBondContact NH2-OD2 3.4Å; K52-D284 IonicContact NZ-OD2 3.43Å; K52-D284 PolarHBondContact NZ-OD2 2.7Å; K52-D284 VanDerWaalsContact NZ-OD2 3.1Å; D284-D286 VanDerWaalsContact C-N 3.31Å; D284-S287 PolarHBondContact O-N 3.43Å; D284-S287 PolarHBondContact O-OG 3.12Å
285E50.2Low60.3Low146 Ų14683 Ų8368%0.68247%0.473SS*.G310 helixtrans-71.3-22.4176.3-68.4178.6-178.100113.1L283 S287L283-E285 PolarHBondContact O-N 3.03Å; E285-S287 PolarHBondContact O-N 3.17Å
286D40.6Very low59.8Low105 Ų10589 Ų8956%0.56151%0.507SS*.G310 helixtrans-77.53.5175.1-60.4-34.3000112.3K268 L283 D284K268-D286 IonicContact NZ-OD2 3.01Å; K268-D286 PolarHBondContact NZ-OD2 3.41Å; L283-D286 PolarHBondContact N-OD2 2.96Å; L283-D286 WeakPolarHBondContact O-CB 3.49Å; L283-D286 PolarHBondContact O-N 2.82Å; D284-D286 VanDerWaalsContact C-N 3.31Å
287S32.9Very low59.3Low97 Ų9793.7 Ų93.768%0.67852%0.521SS*.G310 helixtrans-11929.1-179.247.80000114D284 E285D284-S287 PolarHBondContact O-N 3.43Å; D284-S287 PolarHBondContact O-OG 3.12Å; E285-S287 PolarHBondContact O-N 3.17Å
288S29.3Very low58.4Low169 Ų169101.2 Ų101.2100%1.18256%0.563SS**  trans-111.70170.5-31.10000110.2

Retrieved 288 of 288 residues in 357.8 ms (Link to these results)

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