A0A077Z669_TRITR Loading...

G protein coupled receptor

AlphaFold DB , UniProt , Accession A0A077Z669, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 384 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
1M46.6Very low77.6Confident156 Ų15663.8 Ų63.877%0.76834%0.336SS*.  0123.40-79.8160.5170.500108E5 E9M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E9 WeakPolarHBondContact CE-OE1 3.48Å; M1-E9 WeakPolarHBondContact CE-OE2 3.3Å
2T62.8Low77.2Confident83 Ų8364.2 Ų64.251%0.50937%0.367SS..  trans-67.3149.2166.459.90000108.3A4 E5T2-A4 PolarHBondContact O-N 3.09Å; T2-A4 VanDerWaalsContact O-N 3.09Å; T2-E5 PolarHBondContact N-OE2 3.29Å; T2-E5 WeakPolarHBondContact O-CB 3.38Å; T2-E5 PolarHBondContact O-N 3.05Å; T2-E5 VanDerWaalsContact OG1-CD 3.27Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.39Å; T2-E5 PolarHBondContact OG1-OE1 3.49Å
3T78.4Confident77.2Confident87 Ų8768.4 Ų68.453%0.53438%0.379SS..Hα-helixtrans-55.2-29.6179.830000112.3L28T3-L28 HydrophobicContact CG2-CD2 3.92Å; T3-L28 VanDerWaalsContact O-CD1 3.3Å; T3-L28 WeakPolarHBondContact O-CD1 3.49Å
4A80.9Confident77Confident26 Ų2673.1 Ų73.122%0.21541%0.414CS..Hα-helixtrans-68.7-34.5175.300000113.5T2 Q6 C7 F8 L25 F186T2-A4 PolarHBondContact O-N 3.09Å; T2-A4 VanDerWaalsContact O-N 3.09Å; A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.41Å; A4-C7 WeakPolarHBondContact O-CB 3.34Å; A4-C7 PolarHBondContact O-N 3.33Å; A4-F8 WeakPolarHBondContact O-CD2 3.37Å; A4-L25 HydrophobicContact CB-CD2 3.75Å; A4-F186 HydrophobicContact CB-CE2 4.39Å
5E84.2Confident76.9Confident66 Ų6679.9 Ų79.931%0.30844%0.441SS..Hα-helixtrans-63.4-38.1178.5-71.6163.4-17900111.4M1 T2 C7 F8 E9 F194M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; T2-E5 PolarHBondContact N-OE2 3.29Å; T2-E5 WeakPolarHBondContact O-CB 3.38Å; T2-E5 PolarHBondContact O-N 3.05Å; T2-E5 VanDerWaalsContact OG1-CD 3.27Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.39Å; T2-E5 PolarHBondContact OG1-OE1 3.49Å; E5-C7 VanDerWaalsContact C-N 3.26Å; E5-C7 PolarHBondContact O-N 2.74Å; E5-F8 PolarHBondContact O-N 2.85Å; E5-E9 PolarHBondContact O-N 3Å; E5-E9 VanDerWaalsContact O-N 3.07Å; E5-F194 HydrophobicContact CB-CZ 4.37Å; E5-F194 HydrophobicContact CG-CE2 4.44Å; E5-F194 HydrophobicContact CG-CZ 3.94Å
6Q86Confident77Confident86 Ų8679 Ų7940%0.40243%0.432SS..Hα-helixtrans-58.1-39.3176.9-65.9179.5-44.900111.7A4 F8 E9 E10A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.41Å; Q6-F8 VanDerWaalsContact C-N 3.25Å; Q6-F8 PolarHBondContact O-N 2.94Å; Q6-E9 PolarHBondContact O-N 3.31Å; Q6-E10 WeakPolarHBondContact O-CB 3.49Å; Q6-E10 WeakPolarHBondContact O-CG 3.47Å; Q6-E10 PolarHBondContact O-N 2.89Å
7C88.4Confident77.3Confident0 Ų081.4 Ų81.40%044%0.444CS..Hα-helixtrans-60.7-33.6176.8-64.50000113.3A4 E5 W21 C24 L25 L28A4-C7 WeakPolarHBondContact O-CB 3.34Å; A4-C7 PolarHBondContact O-N 3.33Å; E5-C7 VanDerWaalsContact C-N 3.26Å; E5-C7 PolarHBondContact O-N 2.74Å; C7-W21 WeakPolarHBondContact O-CA 3.48Å; C7-W21 WeakPolarHBondContact O-CB 3.37Å; C7-C24 WeakPolarHBondContact CA-SG 3.36Å; C7-C24 HydrophobicContact CB-CB 3.54Å; C7-C24 WeakPolarHBondContact CB-SG 3.47Å; C7-C24 WeakPolarHBondContact SG-CB 3.45Å; C7-C24 CovalentContact SG-SG 2.03Å; C7-C24 PolarHBondContact SG-SG 3.1Å; C7-L25 HydrophobicContact CB-CD2 4.12Å; C7-L25 HydrophobicContact CB-CG 4.09Å; C7-L28 WeakPolarHBondContact SG-CD1 3.34Å
8F86.5Confident77.4Confident12 Ų1283.6 Ų83.65%0.05346%0.456CS..Hα-helixtrans-79.4-44178.8-68.1-76.3000111.5A4 E5 Q6 E10 S11 W21 L25 F186 A191 F194 K196A4-F8 WeakPolarHBondContact O-CD2 3.37Å; E5-F8 PolarHBondContact O-N 2.85Å; Q6-F8 VanDerWaalsContact C-N 3.25Å; Q6-F8 PolarHBondContact O-N 2.94Å; F8-E10 PolarHBondContact O-N 3.14Å; F8-S11 PolarHBondContact O-N 3.5Å; F8-S11 PolarHBondContact O-OG 2.98Å; F8-W21 HydrophobicContact CD1-CB 4.39Å; F8-W21 HydrophobicContact CD1-CD2 4.33Å; F8-W21 AromaticContact CD1-CE3 3.91Å; F8-W21 HydrophobicContact CD1-CE3 3.91Å; F8-W21 HydrophobicContact CD1-CZ3 4.48Å; F8-W21 HydrophobicContact CE1-CD2 4.09Å; F8-W21 AromaticContact CE1-CE3 3.26Å; F8-W21 HydrophobicContact CE1-CE3 3.26Å; F8-W21 AromaticContact CE1-CZ3 3.5Å; F8-W21 HydrophobicContact CE1-CZ3 3.5Å; F8-W21 AromaticContact CZ-CE3 3.95Å; F8-W21 HydrophobicContact CZ-CE3 3.95Å; F8-W21 HydrophobicContact CZ-CZ3 4.06Å; F8-L25 HydrophobicContact CE1-CD1 4.32Å; F8-L25 HydrophobicContact CE2-CD1 4.1Å; F8-L25 HydrophobicContact CE2-CD2 4.37Å; F8-L25 HydrophobicContact CZ-CD1 3.7Å; F8-F186 HydrophobicContact CE2-CE1 4.14Å; F8-F186 AromaticContact CE2-CZ 3.87Å; F8-F186 HydrophobicContact CE2-CZ 3.87Å; F8-F186 HydrophobicContact CZ-CD1 4.49Å; F8-F186 AromaticContact CZ-CE1 3.74Å; F8-F186 HydrophobicContact CZ-CE1 3.74Å; F8-F186 AromaticContact CZ-CZ 3.94Å; F8-F186 HydrophobicContact CZ-CZ 3.94Å; F8-A191 HydrophobicContact CE1-CB 4.24Å; F8-A191 HydrophobicContact CZ-CB 4.13Å; F8-F194 HydrophobicContact CB-CB 3.97Å; F8-F194 HydrophobicContact CB-CD1 3.58Å; F8-F194 HydrophobicContact CB-CD2 4.16Å; F8-F194 HydrophobicContact CB-CE1 4.09Å; F8-F194 HydrophobicContact CB-CG 3.63Å; F8-F194 HydrophobicContact CD1-CB 3.73Å; F8-F194 HydrophobicContact CD1-CD2 4.26Å; F8-F194 HydrophobicContact CD1-CG 4.04Å; F8-F194 AromaticContact CD2-CD2 3.75Å; F8-F194 HydrophobicContact CD2-CD2 3.75Å; F8-F194 HydrophobicContact CD2-CE2 4.02Å; F8-F194 HydrophobicContact CD2-CG 4.1Å; F8-F194 HydrophobicContact CE1-CB 4.36Å; F8-F194 HydrophobicContact CE2-CD2 4.18Å; F8-F194 HydrophobicContact CG-CB 3.89Å; F8-F194 HydrophobicContact CG-CD1 4.15Å; F8-F194 AromaticContact CG-CD2 3.81Å; F8-F194 HydrophobicContact CG-CD2 3.81Å; F8-F194 HydrophobicContact CG-CE2 4.41Å; F8-F194 AromaticContact CG-CG 3.68Å; F8-F194 HydrophobicContact CG-CG 3.68Å; F8-K196 HydrophobicContact CD1-CG 4.08Å; F8-K196 HydrophobicContact CE1-CB 4.46Å; F8-K196 HydrophobicContact CE1-CG 4.01Å
9E82.4Confident77.9Confident96 Ų9683.1 Ų83.145%0.44945%0.453SS..Hα-helixtrans-64.3-41-179.9-69.8-179.5176.700111.9M1 E5 Q6 S11 G12M1-E9 WeakPolarHBondContact CE-OE1 3.48Å; M1-E9 WeakPolarHBondContact CE-OE2 3.3Å; E5-E9 PolarHBondContact O-N 3Å; E5-E9 VanDerWaalsContact O-N 3.07Å; Q6-E9 PolarHBondContact O-N 3.31Å; E9-S11 PolarHBondContact O-N 2.9Å; E9-G12 PolarHBondContact O-N 3.5Å
10E81.5Confident78.4Confident72 Ų7281.2 Ų81.234%0.33644%0.44SS..Hα-helixtrans-67.9-22.9179.3-77.5176.4-172.700113.3Q6 F8 G12 F13 H16 F20Q6-E10 WeakPolarHBondContact O-CB 3.49Å; Q6-E10 WeakPolarHBondContact O-CG 3.47Å; Q6-E10 PolarHBondContact O-N 2.89Å; F8-E10 PolarHBondContact O-N 3.14Å; E10-G12 PolarHBondContact O-N 3.12Å; E10-G12 VanDerWaalsContact O-N 3.1Å; E10-F13 VanDerWaalsContact CA-CD2 3.47Å; E10-F13 HydrophobicContact CB-CD2 4Å; E10-F13 HydrophobicContact CB-CE2 4.25Å; E10-F13 HydrophobicContact CG-CD2 4Å; E10-F13 HydrophobicContact CG-CE2 3.82Å; E10-F13 WeakPolarHBondContact O-CB 3.34Å; E10-F13 WeakPolarHBondContact O-CD2 3.46Å; E10-F13 PolarHBondContact O-N 2.87Å; E10-H16 PolarHBondContact O-CD2 3.3Å; E10-F20 HydrophobicContact CB-CD1 4.23Å; E10-F20 HydrophobicContact CB-CE1 3.49Å; E10-F20 VanDerWaalsContact CB-CE1 3.49Å; E10-F20 HydrophobicContact CB-CZ 4.12Å; E10-F20 VanDerWaalsContact OE2-CZ 3.29Å; E10-F20 WeakPolarHBondContact OE2-CZ 3.42Å
11S75.6Confident78.8Confident18 Ų1877.5 Ų77.513%0.12642%0.42CS..THydrogen-bonded Turntrans-65.1-13176.273.30000114.2F8 E9F8-S11 PolarHBondContact O-N 3.5Å; F8-S11 PolarHBondContact O-OG 2.98Å; E9-S11 PolarHBondContact O-N 2.9Å
12G73.7Confident80.9Confident68 Ų6871.3 Ų71.370%0.70139%0.388SS*.THydrogen-bonded Turntrans-84.2-8.1172.600000114.4E9 E10E9-G12 PolarHBondContact O-N 3.5Å; E10-G12 PolarHBondContact O-N 3.12Å; E10-G12 VanDerWaalsContact O-N 3.1Å
13F77Confident82.1Confident119 Ų11970.7 Ų70.752%0.52239%0.385SS..SBendtrans-76.7137179.5-69.9-60.3000111.1E10 E15 H16E10-F13 VanDerWaalsContact CA-CD2 3.47Å; E10-F13 HydrophobicContact CB-CD2 4Å; E10-F13 HydrophobicContact CB-CE2 4.25Å; E10-F13 HydrophobicContact CG-CD2 4Å; E10-F13 HydrophobicContact CG-CE2 3.82Å; E10-F13 WeakPolarHBondContact O-CB 3.34Å; E10-F13 WeakPolarHBondContact O-CD2 3.46Å; E10-F13 PolarHBondContact O-N 2.87Å; F13-E15 PolarHBondContact O-N 3.46Å; F13-H16 PolarHBondContact O-N 3.41Å
14P73.8Confident82.6Confident134 Ų13467.7 Ų67.787%0.8737%0.367SS*.THydrogen-bonded Turntrans-64.1-10.8-176.523.8-33.1000114.6
15E75.6Confident83.1Confident175 Ų17566.7 Ų66.782%0.81836%0.358SS*.THydrogen-bonded Turntrans-83.4-11.8175.3-65.5176.3-178.600113.1F13F13-E15 PolarHBondContact O-N 3.46Å
16H78.1Confident83.3Confident66 Ų6668.3 Ų68.331%0.30636%0.361SS..SBendtrans-114.5133.9-173-69.5-29.6000111.1E10 F13 F20E10-H16 PolarHBondContact O-CD2 3.3Å; F13-H16 PolarHBondContact O-N 3.41Å; H16-F20 HydrophobicContact CB-CB 3.81Å; H16-F20 HydrophobicContact CB-CD1 4.38Å; H16-F20 HydrophobicContact CB-CD2 4Å; H16-F20 HydrophobicContact CB-CG 3.79Å; H16-F20 AromaticContact CD2-CD2 3.98Å; H16-F20 AromaticContact CD2-CE2 3.86Å; H16-F20 AromaticContact CD2-CZ 3.96Å; H16-F20 AromaticContact CE1-CE2 3.69Å; H16-F20 AromaticContact CG-CD2 3.58Å; H16-F20 AromaticContact CG-CE2 3.89Å; H16-F20 AromaticContact CG-CG 3.8Å; H16-F20 AromaticContact ND1-CD2 3.62Å; H16-F20 AromaticContact ND1-CE2 3.78Å; H16-F20 AromaticContact NE2-CE2 3.74Å; H16-F20 AromaticContact NE2-CZ 3.92Å
17D83.3Confident83.3Confident119 Ų11969.9 Ų69.964%0.63637%0.373SS*.  trans-71.2161.8175.8-17426.9000111.2D19 F20D17-D19 PolarHBondContact O-N 3.35Å; D17-F20 WeakPolarHBondContact O-CB 3.26Å; D17-F20 PolarHBondContact O-N 3.35Å
18D78.9Confident83.2Confident121 Ų12173.7 Ų73.765%0.64739%0.392SS*.THydrogen-bonded Turntrans-58-22.5-178.8-82.4-26.4000113.1W21D18-W21 PolarHBondContact O-NE1 2.91Å
19D86.1Confident83Confident75 Ų7574.2 Ų74.240%0.40140%0.399SS..THydrogen-bonded Turntrans-91.91.8177.8-92.3-1.3000114.6D17 W21 K22 T23D17-D19 PolarHBondContact O-N 3.35Å; D19-W21 PolarHBondContact O-N 2.92Å; D19-K22 WeakPolarHBondContact O-CB 3.4Å; D19-K22 PolarHBondContact O-N 2.96Å; D19-K22 VanDerWaalsContact O-N 3.15Å; D19-K22 WeakPolarHBondContact OD1-CD 3.44Å; D19-K22 WeakPolarHBondContact OD1-CE 3.44Å; D19-K22 IonicContact OD1-NZ 3.68Å; D19-K22 PolarHBondContact OD1-NZ 3.04Å; D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.35Å
20F88.8Confident82.8Confident45 Ų4571.5 Ų71.520%0.19739%0.389CS..Hα-helixtrans-55.3-50.2-179.3172.3-93.7000112.5E10 H16 D17 K22 T23 C24E10-F20 HydrophobicContact CB-CD1 4.23Å; E10-F20 HydrophobicContact CB-CE1 3.49Å; E10-F20 VanDerWaalsContact CB-CE1 3.49Å; E10-F20 HydrophobicContact CB-CZ 4.12Å; E10-F20 VanDerWaalsContact OE2-CZ 3.29Å; E10-F20 WeakPolarHBondContact OE2-CZ 3.42Å; H16-F20 HydrophobicContact CB-CB 3.81Å; H16-F20 HydrophobicContact CB-CD1 4.38Å; H16-F20 HydrophobicContact CB-CD2 4Å; H16-F20 HydrophobicContact CB-CG 3.79Å; H16-F20 AromaticContact CD2-CD2 3.98Å; H16-F20 AromaticContact CD2-CE2 3.86Å; H16-F20 AromaticContact CD2-CZ 3.96Å; H16-F20 AromaticContact CE1-CE2 3.69Å; H16-F20 AromaticContact CG-CD2 3.58Å; H16-F20 AromaticContact CG-CE2 3.89Å; H16-F20 AromaticContact CG-CG 3.8Å; H16-F20 AromaticContact ND1-CD2 3.62Å; H16-F20 AromaticContact ND1-CE2 3.78Å; H16-F20 AromaticContact NE2-CE2 3.74Å; H16-F20 AromaticContact NE2-CZ 3.92Å; D17-F20 WeakPolarHBondContact O-CB 3.26Å; D17-F20 PolarHBondContact O-N 3.35Å; F20-K22 PolarHBondContact O-N 3.11Å; F20-T23 PolarHBondContact O-N 3.47Å; F20-C24 HydrophobicContact CE1-CB 4.07Å; F20-C24 HydrophobicContact CZ-CB 4.29Å; F20-C24 WeakPolarHBondContact O-CB 3.46Å; F20-C24 PolarHBondContact O-N 3.13Å
21W86.4Confident82.3Confident4 Ų472.8 Ų72.82%0.01540%0.402CS..Hα-helixtrans-58-35.2-178.866.6-79.1000111.7C7 F8 D18 D19 C24 L25 K196 I200C7-W21 WeakPolarHBondContact O-CA 3.48Å; C7-W21 WeakPolarHBondContact O-CB 3.37Å; F8-W21 HydrophobicContact CD1-CB 4.39Å; F8-W21 HydrophobicContact CD1-CD2 4.33Å; F8-W21 AromaticContact CD1-CE3 3.91Å; F8-W21 HydrophobicContact CD1-CE3 3.91Å; F8-W21 HydrophobicContact CD1-CZ3 4.48Å; F8-W21 HydrophobicContact CE1-CD2 4.09Å; F8-W21 AromaticContact CE1-CE3 3.26Å; F8-W21 HydrophobicContact CE1-CE3 3.26Å; F8-W21 AromaticContact CE1-CZ3 3.5Å; F8-W21 HydrophobicContact CE1-CZ3 3.5Å; F8-W21 AromaticContact CZ-CE3 3.95Å; F8-W21 HydrophobicContact CZ-CE3 3.95Å; F8-W21 HydrophobicContact CZ-CZ3 4.06Å; D18-W21 PolarHBondContact O-NE1 2.91Å; D19-W21 PolarHBondContact O-N 2.92Å; W21-C24 PolarHBondContact O-N 3.27Å; W21-L25 HydrophobicContact CE3-CD1 3.68Å; W21-L25 HydrophobicContact CZ3-CD1 4.06Å; W21-L25 WeakPolarHBondContact O-CB 3.45Å; W21-L25 VanDerWaalsContact O-CG 3.26Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 2.87Å; W21-K196 HydrophobicContact CD2-CD 4.4Å; W21-K196 HydrophobicContact CD2-CG 4.25Å; W21-K196 HydrophobicContact CE3-CG 4.41Å; W21-K196 HydrophobicContact CH2-CB 3.69Å; W21-K196 HydrophobicContact CH2-CD 4.41Å; W21-K196 HydrophobicContact CH2-CG 3.94Å; W21-K196 HydrophobicContact CZ2-CB 3.94Å; W21-K196 HydrophobicContact CZ2-CD 3.81Å; W21-K196 HydrophobicContact CZ2-CG 3.85Å; W21-K196 HydrophobicContact CZ3-CB 4.2Å; W21-K196 HydrophobicContact CZ3-CG 4.23Å; W21-I200 HydrophobicContact CD2-CD1 4.13Å; W21-I200 HydrophobicContact CE3-CD1 3.53Å; W21-I200 HydrophobicContact CH2-CD1 3.12Å; W21-I200 HydrophobicContact CH2-CG1 3.77Å; W21-I200 HydrophobicContact CZ2-CD1 3.69Å; W21-I200 HydrophobicContact CZ2-CG1 4.46Å; W21-I200 HydrophobicContact CZ3-CD1 3.01Å; W21-I200 HydrophobicContact CZ3-CG1 3.97Å
22K89.9Confident82.2Confident25 Ų2579.9 Ų79.911%0.10943%0.426CS..Hα-helixtrans-63.3-47.1176.4-45.4-157.1171.5139.80111.2D19 F20 R26 E198 I200D19-K22 WeakPolarHBondContact O-CB 3.4Å; D19-K22 PolarHBondContact O-N 2.96Å; D19-K22 VanDerWaalsContact O-N 3.15Å; D19-K22 WeakPolarHBondContact OD1-CD 3.44Å; D19-K22 WeakPolarHBondContact OD1-CE 3.44Å; D19-K22 IonicContact OD1-NZ 3.68Å; D19-K22 PolarHBondContact OD1-NZ 3.04Å; F20-K22 PolarHBondContact O-N 3.11Å; K22-R26 VanDerWaalsContact O-CG 3.29Å; K22-R26 WeakPolarHBondContact O-CG 3.4Å; K22-R26 PolarHBondContact O-N 3.41Å; K22-E198 WeakPolarHBondContact CE-OE2 3.42Å; K22-E198 IonicContact NZ-OE2 2.69Å; K22-E198 PolarHBondContact NZ-OE2 3.35Å; K22-I200 HydrophobicContact CB-CD1 3.65Å; K22-I200 HydrophobicContact CD-CD1 3.71Å; K22-I200 HydrophobicContact CD-CG1 4.2Å; K22-I200 HydrophobicContact CG-CD1 3.39Å; K22-I200 HydrophobicContact CG-CG1 4.38Å
23T88.6Confident82.4Confident71 Ų7179.1 Ų79.144%0.43641%0.405SS..Hα-helixtrans-67.4-42.4-179.3-57.20000110.9D19 F20 R26 N27D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.35Å; F20-T23 PolarHBondContact O-N 3.47Å; T23-R26 PolarHBondContact O-N 3.25Å; T23-N27 WeakPolarHBondContact O-CB 3.25Å; T23-N27 PolarHBondContact O-N 3.05Å; T23-N27 PolarHBondContact O-ND2 3.06Å
24C89.9Confident82.8Confident24 Ų2473.8 Ų73.816%0.16238%0.382CS..Hα-helixtrans-60-48.9175.5-178.50000111.7C7 F20 W21 R26 N27 L28C7-C24 WeakPolarHBondContact CA-SG 3.36Å; C7-C24 HydrophobicContact CB-CB 3.54Å; C7-C24 WeakPolarHBondContact CB-SG 3.47Å; C7-C24 WeakPolarHBondContact SG-CB 3.45Å; C7-C24 CovalentContact SG-SG 2.03Å; C7-C24 PolarHBondContact SG-SG 3.1Å; F20-C24 HydrophobicContact CE1-CB 4.07Å; F20-C24 HydrophobicContact CZ-CB 4.29Å; F20-C24 WeakPolarHBondContact O-CB 3.46Å; F20-C24 PolarHBondContact O-N 3.13Å; W21-C24 PolarHBondContact O-N 3.27Å; C24-R26 PolarHBondContact O-N 2.94Å; C24-N27 PolarHBondContact O-N 2.72Å; C24-L28 WeakPolarHBondContact O-CG 3.31Å; C24-L28 PolarHBondContact O-N 2.72Å
25L90.4Very high83.5Confident5 Ų570.6 Ų70.63%0.02636%0.36CS..Hα-helixtrans-63.3-40.6177.7-72.1174.8000113A4 C7 F8 W21 N27 L28 A29 F186 L202A4-L25 HydrophobicContact CB-CD2 3.75Å; C7-L25 HydrophobicContact CB-CD2 4.12Å; C7-L25 HydrophobicContact CB-CG 4.09Å; F8-L25 HydrophobicContact CE1-CD1 4.32Å; F8-L25 HydrophobicContact CE2-CD1 4.1Å; F8-L25 HydrophobicContact CE2-CD2 4.37Å; F8-L25 HydrophobicContact CZ-CD1 3.7Å; W21-L25 HydrophobicContact CE3-CD1 3.68Å; W21-L25 HydrophobicContact CZ3-CD1 4.06Å; W21-L25 WeakPolarHBondContact O-CB 3.45Å; W21-L25 VanDerWaalsContact O-CG 3.26Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 2.87Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 2.67Å; L25-A29 VanDerWaalsContact O-CB 3.3Å; L25-A29 WeakPolarHBondContact O-CB 2.98Å; L25-A29 PolarHBondContact O-N 3.48Å; L25-F186 HydrophobicContact CD1-CD1 4.41Å; L25-F186 HydrophobicContact CD1-CD2 3.99Å; L25-F186 HydrophobicContact CD1-CE2 4.12Å; L25-F186 HydrophobicContact CD1-CG 4.14Å; L25-F186 HydrophobicContact CD1-CZ 4.39Å; L25-F186 HydrophobicContact CD2-CD2 4.17Å; L25-F186 HydrophobicContact CD2-CE2 3.81Å; L25-F186 HydrophobicContact CD2-CZ 4.43Å; L25-L202 HydrophobicContact CB-CD2 3.99Å
26R88.8Confident84.1Confident100 Ų10067.1 Ų67.138%0.37735%0.347SS..Hα-helixtrans-60.1-45.6173.7-73.9176.8-174141.31.6111.2K22 T23 C24 L28 A29 V30 V201K22-R26 VanDerWaalsContact O-CG 3.29Å; K22-R26 WeakPolarHBondContact O-CG 3.4Å; K22-R26 PolarHBondContact O-N 3.41Å; T23-R26 PolarHBondContact O-N 3.25Å; C24-R26 PolarHBondContact O-N 2.94Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 2.92Å; R26-A29 PolarHBondContact O-N 3.41Å; R26-V30 VanDerWaalsContact O-CG2 3.3Å; R26-V30 WeakPolarHBondContact O-CG2 3.44Å; R26-V30 PolarHBondContact O-N 3.38Å; R26-V201 PolarHBondContact NE-O 3.46Å
27N85.7Confident84.8Confident119 Ų11967.5 Ų67.564%0.63636%0.362SS*.Hα-helixtrans-63.5-35.6178.8-71-21.7000112.4T23 C24 L25T23-N27 WeakPolarHBondContact O-CB 3.25Å; T23-N27 PolarHBondContact O-N 3.05Å; T23-N27 PolarHBondContact O-ND2 3.06Å; C24-N27 PolarHBondContact O-N 2.72Å; L25-N27 VanDerWaalsContact C-N 3.34Å
28L85.2Confident85.1Confident79 Ų7964.3 Ų64.341%0.41434%0.343SS..Hα-helixtrans-71.6-37.4174.3-72.1175.2000113T3 C7 C24 L25 R26T3-L28 HydrophobicContact CG2-CD2 3.92Å; T3-L28 VanDerWaalsContact O-CD1 3.3Å; T3-L28 WeakPolarHBondContact O-CD1 3.49Å; C7-L28 WeakPolarHBondContact SG-CD1 3.34Å; C24-L28 WeakPolarHBondContact O-CG 3.31Å; C24-L28 PolarHBondContact O-N 2.72Å; L25-L28 PolarHBondContact O-N 2.67Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 2.92Å
29A84.1Confident85.7Confident23 Ų2358.9 Ų58.919%0.1932%0.315CS..Hα-helixtrans-76.9-29.5-176.400000113.3L25 R26 T31 L202 F203L25-A29 VanDerWaalsContact O-CB 3.3Å; L25-A29 WeakPolarHBondContact O-CB 2.98Å; L25-A29 PolarHBondContact O-N 3.48Å; R26-A29 PolarHBondContact O-N 3.41Å; A29-T31 PolarHBondContact O-N 2.93Å; A29-L202 HydrophobicContact CB-CB 3.76Å; A29-L202 HydrophobicContact CB-CD1 3.9Å; A29-L202 HydrophobicContact CB-CD2 3.88Å; A29-L202 HydrophobicContact CB-CG 4.06Å; A29-F203 HydrophobicContact CB-CD1 4.1Å; A29-F203 HydrophobicContact CB-CE1 4.29Å
30V78.3Confident85.9Confident39 Ų3959.5 Ų59.524%0.23632%0.322CS..  trans-71.792.9176.4175.20000109.4R26 R32 F203R26-V30 VanDerWaalsContact O-CG2 3.3Å; R26-V30 WeakPolarHBondContact O-CG2 3.44Å; R26-V30 PolarHBondContact O-N 3.38Å; V30-R32 PolarHBondContact O-N 3.27Å; V30-F203 HydrophobicContact CG2-CB 4.32Å
31T69.4Low86.1Confident100 Ų10063 Ų6361%0.61334%0.342SS*.  trans-77.7112.8173.550.20000110.3A29 L33A29-T31 PolarHBondContact O-N 2.93Å; T31-L33 PolarHBondContact O-N 2.93Å; T31-L33 VanDerWaalsContact O-N 3.16Å
32R73.9Confident86.4Confident167 Ų16763.8 Ų63.863%0.6335%0.345SS*.  trans-69.1110167.3-66.8-170.6-175.2172.57.4108.9V30 F34 D36V30-R32 PolarHBondContact O-N 3.27Å; R32-F34 PolarHBondContact O-N 3.29Å; R32-D36 IonicContact CZ-OD1 2.69Å; R32-D36 IonicContact NH1-OD1 3.67Å; R32-D36 PolarHBondContact NH1-OD1 2.78Å; R32-D36 IonicContact NH1-OD2 3.83Å
33L79Confident86.5Confident52 Ų5264.7 Ų64.727%0.27235%0.353SS..SBendtrans-60.5-30.1174.6-9487000112.4T31 M345 R346T31-L33 PolarHBondContact O-N 2.93Å; T31-L33 VanDerWaalsContact O-N 3.16Å; L33-M345 HydrophobicContact CD2-CB 3.32Å; L33-M345 HydrophobicContact CD2-CG 3.77Å; L33-R346 PolarHBondContact O-NE 3.03Å; L33-R346 PolarHBondContact O-NH2 3.48Å; L33-R346 VanDerWaalsContact O-NH2 3.17Å
34F85.6Confident86.7Confident7 Ų764.9 Ų64.93%0.03135%0.354CS..SBendtrans-118142.5-174.2-56.6-83.9000110.1R32 E38 A39 F42 V100 R346 E349R32-F34 PolarHBondContact O-N 3.29Å; F34-E38 HydrophobicContact CB-CB 4.04Å; F34-E38 HydrophobicContact CD1-CB 4.29Å; F34-A39 HydrophobicContact CB-CB 4.39Å; F34-F42 HydrophobicContact CD1-CD2 4.01Å; F34-F42 AromaticContact CD1-CE2 3.73Å; F34-F42 HydrophobicContact CD1-CE2 3.73Å; F34-F42 HydrophobicContact CE1-CD2 4.13Å; F34-F42 AromaticContact CE1-CE2 3.62Å; F34-F42 HydrophobicContact CE1-CE2 3.62Å; F34-F42 HydrophobicContact CE1-CZ 4.28Å; F34-V100 HydrophobicContact CE2-CG1 3.9Å; F34-R346 HydrophobicContact CD1-CG 3.98Å; F34-R346 HydrophobicContact CE1-CB 4.25Å; F34-R346 HydrophobicContact CE1-CG 3.78Å; F34-E349 HydrophobicContact CE1-CB 4.02Å; F34-E349 HydrophobicContact CE1-CG 4.2Å; F34-E349 HydrophobicContact CZ-CB 3.64Å; F34-E349 HydrophobicContact CZ-CG 3.73Å
35T88.2Confident86.9Confident67 Ų6764.9 Ų64.941%0.41136%0.356SS..  trans-65.4159.1165.760.30000110.3A37 E38 A39T35-A37 PolarHBondContact O-N 2.88Å; T35-E38 WeakPolarHBondContact CB-OE2 3.31Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.34Å; T35-E38 PolarHBondContact N-OE2 3.38Å; T35-E38 PolarHBondContact O-N 3.44Å; T35-E38 VanDerWaalsContact O-N 3.07Å; T35-E38 WeakPolarHBondContact OG1-CB 3.36Å; T35-E38 VanDerWaalsContact OG1-CD 3.24Å; T35-E38 VanDerWaalsContact OG1-CG 3.22Å; T35-E38 WeakPolarHBondContact OG1-CG 3.31Å; T35-E38 PolarHBondContact OG1-N 3.39Å; T35-E38 PolarHBondContact OG1-OE2 3.48Å; T35-A39 WeakPolarHBondContact O-CB 2.86Å; T35-A39 PolarHBondContact O-N 2.96Å
36D87.4Confident87Confident101 Ų10165 Ų6554%0.5436%0.356SS..Hα-helixtrans-59.6-32.8-179.6-64.8-17.4000112.6R32 T40R32-D36 IonicContact CZ-OD1 2.69Å; R32-D36 IonicContact NH1-OD1 3.67Å; R32-D36 PolarHBondContact NH1-OD1 2.78Å; R32-D36 IonicContact NH1-OD2 3.83Å; D36-T40 VanDerWaalsContact O-CB 3.31Å; D36-T40 WeakPolarHBondContact O-CB 3.39Å; D36-T40 PolarHBondContact O-N 3.5Å; D36-T40 PolarHBondContact O-OG1 3.36Å
37A91.9Very high87.3Confident75 Ų7563.7 Ų63.762%0.6236%0.362SS*.Hα-helixtrans-68.1-46174.400000112.1T35 T40 L41T35-A37 PolarHBondContact O-N 2.88Å; A37-T40 PolarHBondContact O-N 2.87Å; A37-L41 WeakPolarHBondContact O-CB 3.31Å; A37-L41 PolarHBondContact O-N 3.24Å
38E91.3Very high87.7Confident52 Ų5262.9 Ų62.924%0.24336%0.357CS..Hα-helixtrans-62.5-46.8175.4-73164146.200110.8F34 T35 T40 L41 F42 R346F34-E38 HydrophobicContact CB-CB 4.04Å; F34-E38 HydrophobicContact CD1-CB 4.29Å; T35-E38 WeakPolarHBondContact CB-OE2 3.31Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.34Å; T35-E38 PolarHBondContact N-OE2 3.38Å; T35-E38 PolarHBondContact O-N 3.44Å; T35-E38 VanDerWaalsContact O-N 3.07Å; T35-E38 WeakPolarHBondContact OG1-CB 3.36Å; T35-E38 VanDerWaalsContact OG1-CD 3.24Å; T35-E38 VanDerWaalsContact OG1-CG 3.22Å; T35-E38 WeakPolarHBondContact OG1-CG 3.31Å; T35-E38 PolarHBondContact OG1-N 3.39Å; T35-E38 PolarHBondContact OG1-OE2 3.48Å; E38-T40 VanDerWaalsContact C-N 3.32Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-L41 WeakPolarHBondContact O-CB 3.32Å; E38-L41 PolarHBondContact O-N 3.05Å; E38-L41 VanDerWaalsContact O-N 3.15Å; E38-F42 HydrophobicContact CB-CD2 4.47Å; E38-F42 WeakPolarHBondContact O-CD2 3.37Å; E38-F42 PolarHBondContact O-N 3Å; E38-R346 IonicContact OE1-CZ 3.71Å; E38-R346 IonicContact OE1-NE 2.78Å; E38-R346 IonicContact OE1-NH1 3.19Å; E38-R346 PolarHBondContact OE1-NH1 3.32Å; E38-R346 IonicContact OE2-CZ 3.39Å; E38-R346 VanDerWaalsContact OE2-CZ 3.27Å; E38-R346 IonicContact OE2-NE 3.11Å; E38-R346 IonicContact OE2-NH1 3.46Å; E38-R346 PolarHBondContact OE2-NH1 2.96Å; E38-R346 IonicContact OE2-NH2 3.77Å
39A89.8Confident88.1Confident7 Ų759.7 Ų59.76%0.05834%0.34CS..Hα-helixtrans-56.5-45.7175.500000111.8F34 T35 L41 T43 W97 N101F34-A39 HydrophobicContact CB-CB 4.39Å; T35-A39 WeakPolarHBondContact O-CB 2.86Å; T35-A39 PolarHBondContact O-N 2.96Å; A39-L41 PolarHBondContact O-N 3.13Å; A39-T43 VanDerWaalsContact O-CB 3.3Å; A39-T43 WeakPolarHBondContact O-CB 3.49Å; A39-T43 PolarHBondContact O-N 2.9Å; A39-T43 PolarHBondContact O-OG1 2.95Å; A39-W97 VanDerWaalsContact O-CZ2 3.26Å; A39-W97 WeakPolarHBondContact O-CZ2 3.43Å; A39-N101 WeakPolarHBondContact CB-OD1 3.18Å
40T90.8Very high88.6Confident88 Ų8859.6 Ų59.654%0.5434%0.338SS..Hα-helixtrans-61.6-45.4176.3-59.50000110.9D36 A37 E38 T43 V44D36-T40 VanDerWaalsContact O-CB 3.31Å; D36-T40 WeakPolarHBondContact O-CB 3.39Å; D36-T40 PolarHBondContact O-N 3.5Å; D36-T40 PolarHBondContact O-OG1 3.36Å; A37-T40 PolarHBondContact O-N 2.87Å; E38-T40 VanDerWaalsContact C-N 3.32Å; E38-T40 PolarHBondContact O-N 3.41Å; T40-T43 PolarHBondContact O-N 2.73Å; T40-V44 HydrophobicContact CG2-CG2 4.44Å; T40-V44 WeakPolarHBondContact O-CB 3.41Å; T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.33Å; T40-V44 PolarHBondContact O-N 3.38Å
41L93.4Very high89.5Confident118 Ų11859.1 Ų59.162%0.61834%0.341SS*.Hα-helixtrans-59.6-51.7178.9177.565.7000112.1A37 E38 A39 T43 V44 A45A37-L41 WeakPolarHBondContact O-CB 3.31Å; A37-L41 PolarHBondContact O-N 3.24Å; E38-L41 WeakPolarHBondContact O-CB 3.32Å; E38-L41 PolarHBondContact O-N 3.05Å; E38-L41 VanDerWaalsContact O-N 3.15Å; A39-L41 PolarHBondContact O-N 3.13Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.97Å; L41-V44 PolarHBondContact O-N 3.39Å; L41-A45 WeakPolarHBondContact O-CB 3.4Å; L41-A45 PolarHBondContact O-N 3.09Å
42F92.3Very high90.7Very high20 Ų2057.1 Ų57.19%0.08833%0.328CS..Hα-helixtrans-62.2-41.8177.9-80.5-68000111.6F34 E38 V44 A45 Y46 W97 E349 A350 L353F34-F42 HydrophobicContact CD1-CD2 4.01Å; F34-F42 AromaticContact CD1-CE2 3.73Å; F34-F42 HydrophobicContact CD1-CE2 3.73Å; F34-F42 HydrophobicContact CE1-CD2 4.13Å; F34-F42 AromaticContact CE1-CE2 3.62Å; F34-F42 HydrophobicContact CE1-CE2 3.62Å; F34-F42 HydrophobicContact CE1-CZ 4.28Å; E38-F42 HydrophobicContact CB-CD2 4.47Å; E38-F42 WeakPolarHBondContact O-CD2 3.37Å; E38-F42 PolarHBondContact O-N 3Å; F42-V44 PolarHBondContact O-N 3.39Å; F42-A45 PolarHBondContact O-N 3.03Å; F42-Y46 HydrophobicContact CB-CD2 4.44Å; F42-Y46 HydrophobicContact CD1-CE2 4.31Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 VanDerWaalsContact O-CD2 3.26Å; F42-Y46 WeakPolarHBondContact O-CD2 3.19Å; F42-Y46 PolarHBondContact O-N 3.16Å; F42-W97 HydrophobicContact CB-CD2 4.24Å; F42-W97 HydrophobicContact CB-CE3 3.99Å; F42-W97 HydrophobicContact CB-CH2 3.11Å; F42-W97 HydrophobicContact CB-CZ2 3.38Å; F42-W97 HydrophobicContact CB-CZ3 3.43Å; F42-W97 VanDerWaalsContact CB-CZ3 3.43Å; F42-W97 HydrophobicContact CD1-CZ3 4.43Å; F42-W97 AromaticContact CD2-CH2 3.96Å; F42-W97 HydrophobicContact CD2-CH2 3.96Å; F42-W97 HydrophobicContact CD2-CZ3 4.21Å; F42-W97 AromaticContact CG-CH2 3.76Å; F42-W97 HydrophobicContact CG-CH2 3.76Å; F42-W97 HydrophobicContact CG-CZ2 4.47Å; F42-W97 AromaticContact CG-CZ3 3.82Å; F42-W97 HydrophobicContact CG-CZ3 3.82Å; F42-E349 HydrophobicContact CD1-CG 4.26Å; F42-E349 HydrophobicContact CE1-CB 4.45Å; F42-E349 HydrophobicContact CE1-CG 4.04Å; F42-E349 HydrophobicContact CZ-CB 4.35Å; F42-E349 HydrophobicContact CZ-CG 4.26Å; F42-A350 HydrophobicContact CE1-CB 4.48Å; F42-A350 HydrophobicContact CZ-CB 4.28Å; F42-L353 HydrophobicContact CD1-CB 4.48Å; F42-L353 HydrophobicContact CD1-CD2 3.92Å; F42-L353 HydrophobicContact CE1-CB 4.32Å; F42-L353 HydrophobicContact CE1-CD2 4.03Å
43T91.7Very high91.7Very high45 Ų4549.1 Ų49.128%0.27630%0.298SS..Hα-helixtrans-58.5-47.6176-55.90000111.5A39 T40 L41 S47 W97A39-T43 VanDerWaalsContact O-CB 3.3Å; A39-T43 WeakPolarHBondContact O-CB 3.49Å; A39-T43 PolarHBondContact O-N 2.9Å; A39-T43 PolarHBondContact O-OG1 2.95Å; T40-T43 PolarHBondContact O-N 2.73Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.97Å; T43-S47 VanDerWaalsContact O-CB 3.26Å; T43-S47 WeakPolarHBondContact O-CB 3.24Å; T43-S47 PolarHBondContact O-N 3.45Å; T43-S47 PolarHBondContact O-OG 2.96Å; T43-W97 WeakPolarHBondContact OG1-CZ2 3.33Å; T43-W97 PolarHBondContact OG1-NE1 3.28Å
44V93.5Very high92.5Very high75 Ų7549 Ų4946%0.45530%0.298SS..Hα-helixtrans-63.7-45.3178.2170.10000110.2T40 L41 F42 S47 I48T40-V44 HydrophobicContact CG2-CG2 4.44Å; T40-V44 WeakPolarHBondContact O-CB 3.41Å; T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.33Å; T40-V44 PolarHBondContact O-N 3.38Å; L41-V44 PolarHBondContact O-N 3.39Å; F42-V44 PolarHBondContact O-N 3.39Å; V44-S47 PolarHBondContact O-N 3.11Å; V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.32Å
45A94.5Very high92.9Very high24 Ų2455 Ų5520%0.19833%0.33CS..Hα-helixtrans-62.4-48-179.700000112.3L41 F42 S47 I48 L49 L353L41-A45 WeakPolarHBondContact O-CB 3.4Å; L41-A45 PolarHBondContact O-N 3.09Å; F42-A45 PolarHBondContact O-N 3.03Å; A45-S47 VanDerWaalsContact C-N 3.33Å; A45-S47 PolarHBondContact O-N 3.45Å; A45-I48 PolarHBondContact O-N 2.92Å; A45-L49 WeakPolarHBondContact O-CG 3.37Å; A45-L49 PolarHBondContact O-N 2.98Å; A45-L353 HydrophobicContact CB-CD1 3.87Å; A45-L353 HydrophobicContact CB-CD2 3.78Å; A45-L353 HydrophobicContact CB-CG 4.42Å
46Y93.3Very high93.1Very high6 Ų653.4 Ų53.42%0.02432%0.321CS..Hα-helixtrans-64.1-36.7175-80.7-58.1000112.5F42 L49 C50 I93 W97 E349 L353 M356F42-Y46 HydrophobicContact CB-CD2 4.44Å; F42-Y46 HydrophobicContact CD1-CE2 4.31Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 VanDerWaalsContact O-CD2 3.26Å; F42-Y46 WeakPolarHBondContact O-CD2 3.19Å; F42-Y46 PolarHBondContact O-N 3.16Å; Y46-L49 HydrophobicContact CD1-CD1 4.4Å; Y46-L49 PolarHBondContact O-N 3.44Å; Y46-C50 VanDerWaalsContact O-CB 3.27Å; Y46-C50 WeakPolarHBondContact O-CB 3.46Å; Y46-C50 PolarHBondContact O-N 3.1Å; Y46-I93 HydrophobicContact CD1-CG2 3.78Å; Y46-I93 HydrophobicContact CG-CG2 4.1Å; Y46-W97 HydrophobicContact CD2-CB 3.73Å; Y46-W97 AromaticContact CD2-CD2 3.56Å; Y46-W97 HydrophobicContact CD2-CD2 3.56Å; Y46-W97 AromaticContact CD2-CE3 3.7Å; Y46-W97 HydrophobicContact CD2-CE3 3.7Å; Y46-W97 AromaticContact CD2-CG 3.53Å; Y46-W97 HydrophobicContact CD2-CG 3.53Å; Y46-W97 HydrophobicContact CE2-CB 4.12Å; Y46-W97 AromaticContact CE2-CD2 3.86Å; Y46-W97 HydrophobicContact CE2-CD2 3.86Å; Y46-W97 AromaticContact CE2-CE3 3.48Å; Y46-W97 HydrophobicContact CE2-CE3 3.48Å; Y46-W97 VanDerWaalsContact CE2-CE3 3.48Å; Y46-W97 HydrophobicContact CE2-CG 4.11Å; Y46-W97 HydrophobicContact CE2-CZ3 4.31Å; Y46-W97 HydrophobicContact CG-CB 4.18Å; Y46-W97 HydrophobicContact CG-CG 4.25Å; Y46-E349 VanDerWaalsContact CE2-OE1 3.25Å; Y46-E349 WeakPolarHBondContact CE2-OE1 3.12Å; Y46-E349 VanDerWaalsContact CZ-OE1 3.31Å; Y46-E349 PolarHBondContact OH-OE1 2.76Å; Y46-L353 HydrophobicContact CD1-CD1 3.57Å; Y46-L353 HydrophobicContact CD2-CD1 3.97Å; Y46-L353 HydrophobicContact CE1-CB 4.44Å; Y46-L353 HydrophobicContact CE1-CD1 3.48Å; Y46-L353 VanDerWaalsContact CE1-CD1 3.48Å; Y46-L353 HydrophobicContact CE2-CD1 3.89Å; Y46-L353 HydrophobicContact CG-CD1 3.82Å; Y46-M356 HydrophobicContact CE1-CG 4.26Å
47S93.3Very high93.5Very high74 Ų7448.6 Ų48.652%0.51730%0.295SS..Hα-helixtrans-63.4-43.3175.4-61.20000111.6T43 V44 A45 C50 G51T43-S47 VanDerWaalsContact O-CB 3.26Å; T43-S47 WeakPolarHBondContact O-CB 3.24Å; T43-S47 PolarHBondContact O-N 3.45Å; T43-S47 PolarHBondContact O-OG 2.96Å; V44-S47 PolarHBondContact O-N 3.11Å; A45-S47 VanDerWaalsContact C-N 3.33Å; A45-S47 PolarHBondContact O-N 3.45Å; S47-C50 PolarHBondContact O-N 3.15Å; S47-G51 PolarHBondContact O-N 2.98Å
48I95.1Very high93.6Very high101 Ų10145.8 Ų45.852%0.51827%0.274SS..Hα-helixtrans-60.8-49.8174.3-68.9166.3000109.6V44 A45 C50 G51 T52V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.32Å; A45-I48 PolarHBondContact O-N 2.92Å; I48-C50 VanDerWaalsContact C-N 3.34Å; I48-C50 PolarHBondContact O-N 2.92Å; I48-G51 PolarHBondContact O-N 3.03Å; I48-T52 HydrophobicContact CG2-CG2 4.22Å; I48-T52 WeakPolarHBondContact O-CG2 3.27Å; I48-T52 PolarHBondContact O-N 3.5Å; I48-T52 PolarHBondContact O-OG1 3.44Å
49L93.9Very high93.7Very high12 Ų1246.5 Ų46.56%0.06328%0.278CS..Hα-helixtrans-60.1-42.2-179.8-73.2172.2000113.1A45 Y46 T52 G53 I93 L353 M356 L357 I359A45-L49 WeakPolarHBondContact O-CG 3.37Å; A45-L49 PolarHBondContact O-N 2.98Å; Y46-L49 HydrophobicContact CD1-CD1 4.4Å; Y46-L49 PolarHBondContact O-N 3.44Å; L49-T52 WeakPolarHBondContact CA-OG1 3.12Å; L49-T52 PolarHBondContact O-OG1 2.89Å; L49-G53 WeakPolarHBondContact O-CA 3.11Å; L49-G53 PolarHBondContact O-N 2.9Å; L49-I93 HydrophobicContact CB-CD1 4.23Å; L49-L353 HydrophobicContact CD1-CD1 3.57Å; L49-L353 HydrophobicContact CD1-CG 4.36Å; L49-M356 HydrophobicContact CD1-CB 4.09Å; L49-L357 HydrophobicContact CD1-CD2 4.41Å; L49-L357 HydrophobicContact CD2-CD2 3.61Å; L49-I359 HydrophobicContact CB-CD1 4.22Å
50C94.6Very high93.8Very high21 Ų2146.7 Ų46.714%0.14228%0.278CS..Hα-helixtrans-59.7-53.4173.9-179.80000110.4Y46 S47 I48 T52 G53 L54 A89 I93Y46-C50 VanDerWaalsContact O-CB 3.27Å; Y46-C50 WeakPolarHBondContact O-CB 3.46Å; Y46-C50 PolarHBondContact O-N 3.1Å; S47-C50 PolarHBondContact O-N 3.15Å; I48-C50 VanDerWaalsContact C-N 3.34Å; I48-C50 PolarHBondContact O-N 2.92Å; C50-T52 PolarHBondContact O-N 3.49Å; C50-G53 PolarHBondContact O-N 3.4Å; C50-L54 WeakPolarHBondContact O-CB 3.4Å; C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.39Å; C50-L54 PolarHBondContact O-N 3.24Å; C50-A89 PolarHBondContact SG-O 3.19Å; C50-I93 HydrophobicContact CB-CB 4.42Å; C50-I93 HydrophobicContact CB-CD1 4.4Å; C50-I93 HydrophobicContact CB-CG2 4.07Å
51G95.9Very high93.9Very high29 Ų2944 Ų4430%0.29926%0.26SS..Hα-helixtrans-59.1-49.5179.900000112.9S47 I48 L54 L55S47-G51 PolarHBondContact O-N 2.98Å; I48-G51 PolarHBondContact O-N 3.03Å; G51-L54 PolarHBondContact O-N 3.35Å; G51-L55 WeakPolarHBondContact O-CB 3.39Å; G51-L55 VanDerWaalsContact O-CG 3.22Å; G51-L55 WeakPolarHBondContact O-CG 3.42Å; G51-L55 PolarHBondContact O-N 2.86Å
52T94.8Very high93.9Very high58 Ų5842 Ų4236%0.35625%0.253SS..Hα-helixtrans-67.1-38.5178.752.70000111.9I48 L49 C50 S56 C360I48-T52 HydrophobicContact CG2-CG2 4.22Å; I48-T52 WeakPolarHBondContact O-CG2 3.27Å; I48-T52 PolarHBondContact O-N 3.5Å; I48-T52 PolarHBondContact O-OG1 3.44Å; L49-T52 WeakPolarHBondContact CA-OG1 3.12Å; L49-T52 PolarHBondContact O-OG1 2.89Å; C50-T52 PolarHBondContact O-N 3.49Å; T52-S56 WeakPolarHBondContact O-CB 3.37Å; T52-S56 PolarHBondContact O-N 3.35Å; T52-S56 PolarHBondContact O-OG 3.08Å; T52-C360 PolarHBondContact OG1-SG 3.5Å
53G94.7Very high93.8Very high0 Ų041.2 Ų41.20%025%0.25CC..Hα-helixtrans-61.2-49175.900000111.9L49 C50 N57L49-G53 WeakPolarHBondContact O-CA 3.11Å; L49-G53 PolarHBondContact O-N 2.9Å; C50-G53 PolarHBondContact O-N 3.4Å; G53-N57 VanDerWaalsContact O-CB 3.26Å; G53-N57 WeakPolarHBondContact O-CB 3.31Å; G53-N57 PolarHBondContact O-N 3.25Å; G53-N57 VanDerWaalsContact O-N 3.09Å; G53-N57 PolarHBondContact O-ND2 2.92Å
54L96Very high93.7Very high50 Ų5039 Ų3926%0.26224%0.237SC..Hα-helixtrans-62-50.3176.8-71.4173.5000112C50 G51 G58 F86 A89 A90C50-L54 WeakPolarHBondContact O-CB 3.4Å; C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.39Å; C50-L54 PolarHBondContact O-N 3.24Å; G51-L54 PolarHBondContact O-N 3.35Å; L54-G58 WeakPolarHBondContact O-CA 3.41Å; L54-G58 PolarHBondContact O-N 2.9Å; L54-F86 HydrophobicContact CB-CE2 4.33Å; L54-F86 HydrophobicContact CD2-CD2 3.94Å; L54-F86 HydrophobicContact CD2-CE1 4.26Å; L54-F86 HydrophobicContact CD2-CE2 3.6Å; L54-F86 HydrophobicContact CD2-CG 4.41Å; L54-F86 HydrophobicContact CD2-CZ 3.77Å; L54-A89 HydrophobicContact CD2-CB 4.06Å; L54-A89 HydrophobicContact CG-CB 3.98Å; L54-A90 HydrophobicContact CD2-CB 3.71Å
55L95Very high93.6Very high133 Ų13340.7 Ų40.770%0.69624%0.238SC*.Hα-helixtrans-65-50.1-176.8-71.2172.1000111.8G51 L59G51-L55 WeakPolarHBondContact O-CB 3.39Å; G51-L55 VanDerWaalsContact O-CG 3.22Å; G51-L55 WeakPolarHBondContact O-CG 3.42Å; G51-L55 PolarHBondContact O-N 2.86Å; L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 PolarHBondContact O-N 3.27Å
56S93Very high93.2Very high32 Ų3242.8 Ų42.822%0.22425%0.251CS..Hα-helixtrans-70.9-43.8-174.364.10000112.6T52 L60 P363T52-S56 WeakPolarHBondContact O-CB 3.37Å; T52-S56 PolarHBondContact O-N 3.35Å; T52-S56 PolarHBondContact O-OG 3.08Å; S56-L60 WeakPolarHBondContact O-CG 3.39Å; S56-L60 PolarHBondContact O-N 3.32Å; S56-L60 VanDerWaalsContact O-N 3.17Å; S56-P363 WeakPolarHBondContact OG-CG 3.29Å
57N94Very high92.5Very high1 Ų145.1 Ų45.11%0.00526%0.264CS..Hα-helixtrans-73.6-38177.3-67.1-79000111.5G53 L59 L60 I61 A82 N85 F86 I359 P363G53-N57 VanDerWaalsContact O-CB 3.26Å; G53-N57 WeakPolarHBondContact O-CB 3.31Å; G53-N57 PolarHBondContact O-N 3.25Å; G53-N57 VanDerWaalsContact O-N 3.09Å; G53-N57 PolarHBondContact O-ND2 2.92Å; N57-L59 PolarHBondContact O-N 3.42Å; N57-L60 WeakPolarHBondContact O-CB 3.5Å; N57-L60 PolarHBondContact O-N 3.49Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.46Å; N57-I61 PolarHBondContact O-N 3.04Å; N57-A82 HydrophobicContact CB-CB 4.41Å; N57-A82 WeakPolarHBondContact CB-O 3.48Å; N57-N85 WeakPolarHBondContact OD1-CB 3.34Å; N57-F86 HydrophobicContact CB-CB 4.06Å; N57-I359 PolarHBondContact ND2-O 2.86Å; N57-P363 WeakPolarHBondContact OD1-CG 3.26Å
58G95.1Very high92Very high16 Ų1646.7 Ų46.717%0.16527%0.266CS..Hα-helixtrans-59.4-44.4174.100000112.2L54 L60 I61 V62L54-G58 WeakPolarHBondContact O-CA 3.41Å; L54-G58 PolarHBondContact O-N 2.9Å; G58-L60 PolarHBondContact O-N 2.95Å; G58-I61 WeakPolarHBondContact O-CB 3.25Å; G58-I61 PolarHBondContact O-N 3.29Å; G58-V62 WeakPolarHBondContact O-CG2 3.38Å; G58-V62 PolarHBondContact O-N 3.09Å
59L92.6Very high91.2Very high66 Ų6651.6 Ų51.635%0.34628%0.284SS..Hα-helixtrans-62.1-41.5175-178.859.4000112.3L55 N57 V62 V63 L377L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 PolarHBondContact O-N 3.27Å; N57-L59 PolarHBondContact O-N 3.42Å; L59-V62 PolarHBondContact O-N 2.95Å; L59-V63 HydrophobicContact CD1-CG2 4.3Å; L59-V63 WeakPolarHBondContact O-CB 3.4Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.44Å; L59-V63 PolarHBondContact O-N 2.82Å; L59-L377 HydrophobicContact CD1-CD1 3.77Å; L59-L377 HydrophobicContact CD2-CD1 3.67Å; L59-L377 HydrophobicContact CG-CD1 3.7Å
60L91.6Very high90.2Very high11 Ų1155.8 Ų55.86%0.05831%0.305CS..Hα-helixtrans-61.5-43.9174.5-75.3-178000112.2S56 N57 G58 V63 L64 A82 P363 L373S56-L60 WeakPolarHBondContact O-CG 3.39Å; S56-L60 PolarHBondContact O-N 3.32Å; S56-L60 VanDerWaalsContact O-N 3.17Å; N57-L60 WeakPolarHBondContact O-CB 3.5Å; N57-L60 PolarHBondContact O-N 3.49Å; G58-L60 PolarHBondContact O-N 2.95Å; L60-V63 PolarHBondContact O-N 3.08Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.24Å; L60-L64 PolarHBondContact O-N 3.2Å; L60-A82 HydrophobicContact CB-CB 4.15Å; L60-P363 HydrophobicContact CD1-CB 3.66Å; L60-P363 HydrophobicContact CD1-CG 4.03Å; L60-P363 HydrophobicContact CG-CB 4.48Å; L60-L373 HydrophobicContact CD2-CD2 3.71Å; L60-L373 HydrophobicContact CD2-CG 4.23Å
61I93.4Very high89.6Confident31 Ų3156.8 Ų56.816%0.15931%0.306CS..Hα-helixtrans-57.6-52.5175.8-69.1163.5000109.5N57 G58 V63 L64 F65 L79 A82 F86N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.46Å; N57-I61 PolarHBondContact O-N 3.04Å; G58-I61 WeakPolarHBondContact O-CB 3.25Å; G58-I61 PolarHBondContact O-N 3.29Å; I61-V63 PolarHBondContact O-N 3.39Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-F65 HydrophobicContact CG2-CD2 3.75Å; I61-F65 HydrophobicContact CG2-CE2 3.9Å; I61-F65 VanDerWaalsContact O-CD2 3.26Å; I61-F65 WeakPolarHBondContact O-CD2 3.23Å; I61-F65 PolarHBondContact O-N 2.84Å; I61-L79 HydrophobicContact CB-CD1 4.2Å; I61-L79 HydrophobicContact CG1-CD1 3.9Å; I61-L79 HydrophobicContact CG2-CD1 4.11Å; I61-A82 HydrophobicContact CD1-CB 4.45Å; I61-A82 HydrophobicContact CG1-CB 3.87Å; I61-F86 HydrophobicContact CD1-CB 4.01Å; I61-F86 HydrophobicContact CD1-CD2 4.46Å; I61-F86 HydrophobicContact CD1-CG 4.21Å
62V93Very high89.1Confident77 Ų7759.7 Ų59.747%0.46731%0.308SS..Hα-helixtrans-55.8-53178.7172.20000110.9G58 L59 L64 F65 S66 L380G58-V62 WeakPolarHBondContact O-CG2 3.38Å; G58-V62 PolarHBondContact O-N 3.09Å; L59-V62 PolarHBondContact O-N 2.95Å; V62-L64 PolarHBondContact O-N 2.88Å; V62-F65 CarbonylContact O-C 3.14Å; V62-F65 PolarHBondContact O-N 3.35Å; V62-S66 PolarHBondContact O-N 3.48Å; V62-S66 PolarHBondContact O-OG 3.34Å; V62-L380 HydrophobicContact CG1-CD2 3.87Å
63V90.1Very high88.7Confident3 Ų357.2 Ų57.22%0.01829%0.294CS..Hα-helixtrans-56.8-39.6-179.8169.70000111.9L59 L60 I61 F65 L373 R376 L377 L380L59-V63 HydrophobicContact CD1-CG2 4.3Å; L59-V63 WeakPolarHBondContact O-CB 3.4Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.44Å; L59-V63 PolarHBondContact O-N 2.82Å; L60-V63 PolarHBondContact O-N 3.08Å; I61-V63 PolarHBondContact O-N 3.39Å; V63-F65 VanDerWaalsContact C-N 3.33Å; V63-L373 HydrophobicContact CG1-CD1 3.71Å; V63-R376 HydrophobicContact CG1-CB 3.71Å; V63-R376 PolarHBondContact O-NH2 2.96Å; V63-L377 HydrophobicContact CG1-CB 4.48Å; V63-L377 HydrophobicContact CG2-CB 4.14Å; V63-L377 HydrophobicContact CG2-CD1 3.66Å; V63-L380 HydrophobicContact CG2-CD2 3.66Å
64L89.7Confident88.3Confident0 Ų057.8 Ų57.80%030%0.298CS..Hα-helixtrans-69.2-32.2179.1-72.3174.2000112L60 I61 V62 R71 D75 V78 L79 L373 R376L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.24Å; L60-L64 PolarHBondContact O-N 3.2Å; I61-L64 PolarHBondContact O-N 3.41Å; V62-L64 PolarHBondContact O-N 2.88Å; L64-R71 PolarHBondContact O-NE 3.24Å; L64-R71 PolarHBondContact O-NH2 3.14Å; L64-D75 HydrophobicContact CD2-CB 3.92Å; L64-V78 HydrophobicContact CD1-CB 4.24Å; L64-V78 HydrophobicContact CD1-CG1 4Å; L64-L79 HydrophobicContact CB-CD1 4.34Å; L64-L79 HydrophobicContact CD1-CB 3.79Å; L64-L79 HydrophobicContact CD1-CD1 4.17Å; L64-L373 HydrophobicContact CD2-CD1 3.69Å; L64-L373 HydrophobicContact CG-CD1 4.18Å; L64-R376 PolarHBondContact O-NH2 3.44Å; L64-R376 VanDerWaalsContact O-NH2 3.15Å
65F91.2Very high88Confident109 Ų10955.6 Ų55.648%0.47829%0.286SS..Hα-helixtrans-85.3-23.1175.9-80.9-73000114.7I61 V62 V63 D67 L68 R71 L79I61-F65 HydrophobicContact CG2-CD2 3.75Å; I61-F65 HydrophobicContact CG2-CE2 3.9Å; I61-F65 VanDerWaalsContact O-CD2 3.26Å; I61-F65 WeakPolarHBondContact O-CD2 3.23Å; I61-F65 PolarHBondContact O-N 2.84Å; V62-F65 CarbonylContact O-C 3.14Å; V62-F65 PolarHBondContact O-N 3.35Å; V63-F65 VanDerWaalsContact C-N 3.33Å; F65-D67 PolarHBondContact O-N 3.09Å; F65-L68 HydrophobicContact CD1-CD2 3.98Å; F65-R71 VanDerWaalsContact CG-NH2 3.33Å; F65-L79 HydrophobicContact CD2-CD1 4.17Å; F65-L79 HydrophobicContact CE1-CD2 4.49Å; F65-L79 HydrophobicContact CE2-CD1 3.66Å; F65-L79 HydrophobicContact CE2-CD2 3.66Å; F65-L79 HydrophobicContact CE2-CG 4.27Å; F65-L79 HydrophobicContact CZ-CD1 4.47Å; F65-L79 HydrophobicContact CZ-CD2 3.63Å
66S86.6Confident87.8Confident68 Ų6849.9 Ų49.948%0.47626%0.257SS..Hα-helixtrans-63.3-24.4-178.6-51.40000114.3V62 L380V62-S66 PolarHBondContact O-N 3.48Å; V62-S66 PolarHBondContact O-OG 3.34Å; S66-L380 WeakPolarHBondContact OG-CD1 3.22Å
67D80Confident87.8Confident56 Ų5648.7 Ų48.730%0.29925%0.247SC..  trans-142.591.8176.2-163.2-31000110.8F65 K69 L70 R376F65-D67 PolarHBondContact O-N 3.09Å; D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 WeakPolarHBondContact OD1-CB 3.37Å; D67-K69 PolarHBondContact OD1-N 3.14Å; D67-K69 VanDerWaalsContact OD1-N 3.07Å; D67-L70 HydrophobicContact CB-CB 4.3Å; D67-L70 HydrophobicContact CB-CD1 4.21Å; D67-L70 HydrophobicContact CB-CG 4.37Å; D67-L70 VanDerWaalsContact CG-CG 3.5Å; D67-L70 PolarHBondContact OD1-N 3.06Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.41Å; D67-L70 VanDerWaalsContact OD2-CG 3.32Å; D67-L70 WeakPolarHBondContact OD2-CG 3.24Å; D67-R376 PolarHBondContact O-NH2 3.46Å
68L81.4Confident87.7Confident107 Ų10748.8 Ų48.856%0.5625%0.248SC*.SBendtrans-69.6-27.8177.5-62.6-179.2000112.2F65 L70 R71F65-L68 HydrophobicContact CD1-CD2 3.98Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 3.48Å; L68-R71 VanDerWaalsContact CD2-CZ 3.43Å; L68-R71 VanDerWaalsContact CD2-NH2 3.35Å; L68-R71 VanDerWaalsContact O-CB 3.29Å; L68-R71 WeakPolarHBondContact O-CB 3.36Å; L68-R71 PolarHBondContact O-N 3.37Å
69K78.1Confident87.6Confident204 Ų20449.2 Ų49.289%0.88725%0.246SC*.THydrogen-bonded Turntrans-70.2-30.6-179.5-64.9179.5179.8178.80111.6D67 R71D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 WeakPolarHBondContact OD1-CB 3.37Å; D67-K69 PolarHBondContact OD1-N 3.14Å; D67-K69 VanDerWaalsContact OD1-N 3.07Å; K69-R71 VanDerWaalsContact C-N 3.35Å
70L74.1Confident87.7Confident99 Ų9946.7 Ų46.752%0.51823%0.233SC..THydrogen-bonded Turntrans-85.4-3.3174.8-66.2-179.9000114.2D67 L68 R72D67-L70 HydrophobicContact CB-CB 4.3Å; D67-L70 HydrophobicContact CB-CD1 4.21Å; D67-L70 HydrophobicContact CB-CG 4.37Å; D67-L70 VanDerWaalsContact CG-CG 3.5Å; D67-L70 PolarHBondContact OD1-N 3.06Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.41Å; D67-L70 VanDerWaalsContact OD2-CG 3.32Å; D67-L70 WeakPolarHBondContact OD2-CG 3.24Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 3.48Å; L70-R72 PolarHBondContact O-N 2.73Å
71R82.1Confident87.8Confident42 Ų4246.2 Ų46.216%0.15823%0.231CC..  trans-69.1133.3-177.6-163.2176.9-76.4-170.2-4.9109.6L64 F65 L68 K69 D75 H154L64-R71 PolarHBondContact O-NE 3.24Å; L64-R71 PolarHBondContact O-NH2 3.14Å; F65-R71 VanDerWaalsContact CG-NH2 3.33Å; L68-R71 VanDerWaalsContact CD2-CZ 3.43Å; L68-R71 VanDerWaalsContact CD2-NH2 3.35Å; L68-R71 VanDerWaalsContact O-CB 3.29Å; L68-R71 WeakPolarHBondContact O-CB 3.36Å; L68-R71 PolarHBondContact O-N 3.37Å; K69-R71 VanDerWaalsContact C-N 3.35Å; R71-D75 HydrophobicContact CG-CB 3.83Å; R71-H154 PolarHBondContact O-CE1 3.43Å; R71-H154 PolarHBondContact O-NE2 2.92Å
72R84.8Confident87.8Confident91 Ų9144.8 Ų44.834%0.34322%0.224SC..  trans-107161.5171.4-64.9169.4-66.2165.13.9109.3L70 S74 D75 H154 N372L70-R72 PolarHBondContact O-N 2.73Å; R72-S74 PolarHBondContact O-N 2.94Å; R72-S74 VanDerWaalsContact O-N 3.11Å; R72-D75 PolarHBondContact N-OD2 2.77Å; R72-D75 IonicContact NE-OD1 3.8Å; R72-D75 IonicContact NE-OD2 2.72Å; R72-D75 IonicContact NH2-OD1 2.86Å; R72-D75 PolarHBondContact NH2-OD1 2.97Å; R72-D75 WeakPolarHBondContact O-CA 3.38Å; R72-D75 VanDerWaalsContact O-CB 3.27Å; R72-D75 WeakPolarHBondContact O-CB 3.24Å; R72-D75 PolarHBondContact O-N 3.46Å; R72-H154 WeakPolarHBondContact CA-NE2 3.43Å; R72-N372 VanDerWaalsContact CZ-ND2 3.31Å; R72-N372 PolarHBondContact NH1-ND2 3.38Å; R72-N372 PolarHBondContact NH2-ND2 3.07Å
73A86Confident87.9Confident6 Ų644.4 Ų44.45%0.0522%0.219CC..Hα-helixtrans-53.8-35.6176.200000113.1D75 V76 R153 H154 A157A73-D75 PolarHBondContact O-N 3.18Å; A73-V76 WeakPolarHBondContact O-CB 3.32Å; A73-V76 PolarHBondContact O-N 2.88Å; A73-R153 HydrophobicContact CB-CB 4Å; A73-H154 PolarHBondContact N-NE2 2.9Å; A73-H154 VanDerWaalsContact N-NE2 3.1Å; A73-A157 HydrophobicContact CB-CB 4.19Å
74S86.3Confident88.1Confident12 Ų1244.2 Ų44.28%0.08422%0.218CC..Hα-helixtrans-53-40.5171.6-3.80000113.6R72 V76 F77 V78 R137R72-S74 PolarHBondContact O-N 2.94Å; R72-S74 VanDerWaalsContact O-N 3.11Å; S74-V76 PolarHBondContact O-N 3.06Å; S74-F77 PolarHBondContact O-N 2.84Å; S74-F77 VanDerWaalsContact O-N 3.14Å; S74-V78 PolarHBondContact O-N 3.47Å; S74-R137 PolarHBondContact OG-NH2 2.71Å
75D89.1Confident88.3Confident3 Ų344.4 Ų44.42%0.01622%0.219CC..Hα-helixtrans-73.3-18.2-167.5-57.2-24000109.6L64 R71 R72 A73 L79 R376L64-D75 HydrophobicContact CD2-CB 3.92Å; R71-D75 HydrophobicContact CG-CB 3.83Å; R72-D75 PolarHBondContact N-OD2 2.77Å; R72-D75 IonicContact NE-OD1 3.8Å; R72-D75 IonicContact NE-OD2 2.72Å; R72-D75 IonicContact NH2-OD1 2.86Å; R72-D75 PolarHBondContact NH2-OD1 2.97Å; R72-D75 WeakPolarHBondContact O-CA 3.38Å; R72-D75 VanDerWaalsContact O-CB 3.27Å; R72-D75 WeakPolarHBondContact O-CB 3.24Å; R72-D75 PolarHBondContact O-N 3.46Å; A73-D75 PolarHBondContact O-N 3.18Å; D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.34Å; D75-L79 PolarHBondContact O-N 2.93Å; D75-R376 IonicContact OD2-NH1 3.75Å
76V92.7Very high88.5Confident13 Ų1342.2 Ų42.28%0.07921%0.209CC..Hα-helixtrans-63.3-45.4168.71790000110.8A73 S74 L79 N80 A157 I158 A161A73-V76 WeakPolarHBondContact O-CB 3.32Å; A73-V76 PolarHBondContact O-N 2.88Å; S74-V76 PolarHBondContact O-N 3.06Å; V76-L79 WeakPolarHBondContact O-CB 3.35Å; V76-L79 PolarHBondContact O-N 3.34Å; V76-N80 WeakPolarHBondContact O-CB 3.44Å; V76-N80 PolarHBondContact O-N 3.26Å; V76-A157 HydrophobicContact CB-CB 4Å; V76-A157 HydrophobicContact CG1-CB 4.18Å; V76-A157 HydrophobicContact CG2-CB 4.18Å; V76-I158 HydrophobicContact CG1-CG1 4.04Å; V76-I158 HydrophobicContact CG2-CG1 4.26Å; V76-A161 HydrophobicContact CG1-CB 4.28Å
77F92.7Very high88.8Confident7 Ų741.4 Ų41.43%0.03120%0.199CC..Hα-helixtrans-69.9-36.7178.2-58.9-57.4000112.1S74 L79 N80 L81 T129 V132 M133 D136 A157 V160S74-F77 PolarHBondContact O-N 2.84Å; S74-F77 VanDerWaalsContact O-N 3.14Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 2.91Å; F77-N80 PolarHBondContact O-N 3.37Å; F77-L81 WeakPolarHBondContact O-CB 3.5Å; F77-L81 PolarHBondContact O-N 3.33Å; F77-T129 HydrophobicContact CB-CG2 3.93Å; F77-T129 WeakPolarHBondContact O-CG2 3.48Å; F77-V132 HydrophobicContact CD1-CG1 4.03Å; F77-V132 HydrophobicContact CE1-CG1 3.49Å; F77-V132 VanDerWaalsContact CE1-CG1 3.49Å; F77-V132 HydrophobicContact CE2-CG1 4.07Å; F77-V132 HydrophobicContact CZ-CG1 3.51Å; F77-M133 HydrophobicContact CB-CE 4.47Å; F77-M133 HydrophobicContact CB-CG 3.34Å; F77-M133 HydrophobicContact CB-SD 3.73Å; F77-M133 HydrophobicContact CD2-CG 4.25Å; F77-M133 HydrophobicContact CG-CG 3.96Å; F77-D136 HydrophobicContact CE2-CB 4.06Å; F77-A157 HydrophobicContact CE1-CB 4.42Å; F77-A157 HydrophobicContact CE2-CB 4.09Å; F77-A157 HydrophobicContact CZ-CB 3.86Å; F77-V160 HydrophobicContact CE1-CB 4.21Å; F77-V160 HydrophobicContact CE1-CG1 3.96Å; F77-V160 HydrophobicContact CZ-CB 4.46Å; F77-V160 HydrophobicContact CZ-CG1 4.35Å
78V91.8Very high89.3Confident4 Ų438.8 Ų38.82%0.02419%0.185CC..Hα-helixtrans-61.9-41.9172.2-176.60000110.5L64 S74 L81 A82 M133 Y366 L373L64-V78 HydrophobicContact CD1-CB 4.24Å; L64-V78 HydrophobicContact CD1-CG1 4Å; S74-V78 PolarHBondContact O-N 3.47Å; V78-L81 PolarHBondContact O-N 3.09Å; V78-A82 WeakPolarHBondContact O-CB 3.48Å; V78-A82 PolarHBondContact O-N 3.35Å; V78-M133 HydrophobicContact CG2-CE 3.78Å; V78-Y366 HydrophobicContact CG1-CD1 4.04Å; V78-Y366 HydrophobicContact CG1-CE1 4.42Å; V78-Y366 HydrophobicContact CG1-CG 4.08Å; V78-Y366 HydrophobicContact CG2-CD1 3.98Å; V78-Y366 HydrophobicContact CG2-CE1 3.86Å; V78-L373 HydrophobicContact CG1-CD2 4.23Å
79L92.8Very high89.9Confident24 Ų2433.7 Ų33.713%0.12616%0.159CC..Hα-helixtrans-63.9-43.9175.5179.763.2000111.5I61 L64 F65 D75 V76 F77 L81 A82 L83I61-L79 HydrophobicContact CB-CD1 4.2Å; I61-L79 HydrophobicContact CG1-CD1 3.9Å; I61-L79 HydrophobicContact CG2-CD1 4.11Å; L64-L79 HydrophobicContact CB-CD1 4.34Å; L64-L79 HydrophobicContact CD1-CB 3.79Å; L64-L79 HydrophobicContact CD1-CD1 4.17Å; F65-L79 HydrophobicContact CD2-CD1 4.17Å; F65-L79 HydrophobicContact CE1-CD2 4.49Å; F65-L79 HydrophobicContact CE2-CD1 3.66Å; F65-L79 HydrophobicContact CE2-CD2 3.66Å; F65-L79 HydrophobicContact CE2-CG 4.27Å; F65-L79 HydrophobicContact CZ-CD1 4.47Å; F65-L79 HydrophobicContact CZ-CD2 3.63Å; D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.34Å; D75-L79 PolarHBondContact O-N 2.93Å; V76-L79 WeakPolarHBondContact O-CB 3.35Å; V76-L79 PolarHBondContact O-N 3.34Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 2.91Å; L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.88Å; L79-A82 PolarHBondContact O-N 3.06Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.46Å
80N94.4Very high90.5Very high13 Ų1325.5 Ų25.57%0.0713%0.129CC..Hα-helixtrans-58.7-45.8178.9-162.258.8000111.4V76 F77 L83 S84 C125 T129 A161 W165V76-N80 WeakPolarHBondContact O-CB 3.44Å; V76-N80 PolarHBondContact O-N 3.26Å; F77-N80 PolarHBondContact O-N 3.37Å; N80-L83 PolarHBondContact O-N 2.97Å; N80-S84 PolarHBondContact O-N 3.12Å; N80-S84 PolarHBondContact O-OG 3.33Å; N80-C125 PolarHBondContact ND2-SG 3.19Å; N80-C125 VanDerWaalsContact ND2-SG 3.43Å; N80-T129 HydrophobicContact CB-CG2 4.18Å; N80-T129 PolarHBondContact ND2-OG1 3.33Å; N80-A161 HydrophobicContact CB-CB 4.33Å; N80-W165 PolarHBondContact OD1-NE1 3.45Å
81L93.2Very high91Very high2 Ų224.5 Ų24.51%0.0112%0.124CC..Hα-helixtrans-66.2-37.7176.8-176.959.3000112.8F77 V78 L79 S84 N85 S126 T129 I130 M133 Y366F77-L81 WeakPolarHBondContact O-CB 3.5Å; F77-L81 PolarHBondContact O-N 3.33Å; V78-L81 PolarHBondContact O-N 3.09Å; L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.88Å; L81-S84 WeakPolarHBondContact CA-OG 3.15Å; L81-S84 PolarHBondContact O-OG 2.86Å; L81-N85 WeakPolarHBondContact O-CB 3.27Å; L81-N85 PolarHBondContact O-N 2.99Å; L81-N85 VanDerWaalsContact O-N 3.17Å; L81-N85 PolarHBondContact O-ND2 3.16Å; L81-S126 VanDerWaalsContact CD1-CA 3.48Å; L81-S126 VanDerWaalsContact CD1-CB 3.45Å; L81-T129 HydrophobicContact CB-CG2 3.98Å; L81-I130 HydrophobicContact CD1-CD1 4.33Å; L81-I130 HydrophobicContact CD1-CG1 4.21Å; L81-I130 HydrophobicContact CD2-CD1 4.31Å; L81-I130 HydrophobicContact CD2-CG1 3.81Å; L81-M133 HydrophobicContact CD2-SD 4.49Å; L81-Y366 HydrophobicContact CD2-CD2 4.43Å; L81-Y366 HydrophobicContact CD2-CE2 3.31Å; L81-Y366 WeakPolarHBondContact CD2-OH 3.4Å; L81-Y366 HydrophobicContact CG-CE2 4.45Å
82A94.3Very high91.2Very high1 Ų123.2 Ų23.21%0.00812%0.119CC..Hα-helixtrans-67.2-39.9174.900000111.2N57 L60 I61 V78 L79 F86N57-A82 HydrophobicContact CB-CB 4.41Å; N57-A82 WeakPolarHBondContact CB-O 3.48Å; L60-A82 HydrophobicContact CB-CB 4.15Å; I61-A82 HydrophobicContact CD1-CB 4.45Å; I61-A82 HydrophobicContact CG1-CB 3.87Å; V78-A82 WeakPolarHBondContact O-CB 3.48Å; V78-A82 PolarHBondContact O-N 3.35Å; L79-A82 PolarHBondContact O-N 3.06Å; A82-F86 VanDerWaalsContact O-CB 3.23Å; A82-F86 WeakPolarHBondContact O-CB 3.09Å; A82-F86 PolarHBondContact O-N 2.98Å
83L94.8Very high91.3Very high68 Ų6819.1 Ų19.136%0.35610%0.103SC..Hα-helixtrans-65.3-46.1177.9-177.362.9000112L79 N80 N85 F86 L87 W165L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.46Å; N80-L83 PolarHBondContact O-N 2.97Å; L83-N85 PolarHBondContact O-N 3.09Å; L83-F86 PolarHBondContact O-N 3.07Å; L83-L87 HydrophobicContact CD1-CD1 4.3Å; L83-L87 HydrophobicContact CD1-CG 4.36Å; L83-L87 HydrophobicContact CG-CD1 4.17Å; L83-L87 WeakPolarHBondContact O-CG 3.28Å; L83-L87 PolarHBondContact O-N 3.36Å; L83-W165 HydrophobicContact CD2-CZ2 4.19Å; L83-W165 HydrophobicContact CG-CZ2 4.25Å
84S94.6Very high91.1Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-61.8-43.5177.558.30000112.2N80 L81 L87 L88 S126N80-S84 PolarHBondContact O-N 3.12Å; N80-S84 PolarHBondContact O-OG 3.33Å; L81-S84 WeakPolarHBondContact CA-OG 3.15Å; L81-S84 PolarHBondContact O-OG 2.86Å; S84-L87 PolarHBondContact O-N 3.02Å; S84-L88 WeakPolarHBondContact O-CB 3.24Å; S84-L88 PolarHBondContact O-N 2.94Å; S84-S126 WeakPolarHBondContact CB-OG 3.06Å; S84-S126 PolarHBondContact OG-OG 2.83Å
85N93.8Very high90.7Very high3 Ų324.2 Ų24.22%0.01613%0.128CC..Hα-helixtrans-68.4-35.7176.5-66.3-24.3000112.4N57 L81 L83 L88 A89 S126 I359 N362N57-N85 WeakPolarHBondContact OD1-CB 3.34Å; L81-N85 WeakPolarHBondContact O-CB 3.27Å; L81-N85 PolarHBondContact O-N 2.99Å; L81-N85 VanDerWaalsContact O-N 3.17Å; L81-N85 PolarHBondContact O-ND2 3.16Å; L83-N85 PolarHBondContact O-N 3.09Å; N85-L88 PolarHBondContact O-N 3.01Å; N85-A89 PolarHBondContact O-N 3.39Å; N85-S126 PolarHBondContact OD1-OG 3.14Å; N85-I359 HydrophobicContact CB-CB 4.37Å; N85-N362 PolarHBondContact ND2-ND2 3.26Å
86F94.5Very high90.1Very high64 Ų6425.1 Ų25.128%0.28113%0.132SC..Hα-helixtrans-64.3-45.6175.3-176.8-88000111.3L54 N57 I61 A82 L83 L88 A89 A90L54-F86 HydrophobicContact CB-CE2 4.33Å; L54-F86 HydrophobicContact CD2-CD2 3.94Å; L54-F86 HydrophobicContact CD2-CE1 4.26Å; L54-F86 HydrophobicContact CD2-CE2 3.6Å; L54-F86 HydrophobicContact CD2-CG 4.41Å; L54-F86 HydrophobicContact CD2-CZ 3.77Å; N57-F86 HydrophobicContact CB-CB 4.06Å; I61-F86 HydrophobicContact CD1-CB 4.01Å; I61-F86 HydrophobicContact CD1-CD2 4.46Å; I61-F86 HydrophobicContact CD1-CG 4.21Å; A82-F86 VanDerWaalsContact O-CB 3.23Å; A82-F86 WeakPolarHBondContact O-CB 3.09Å; A82-F86 PolarHBondContact O-N 2.98Å; L83-F86 PolarHBondContact O-N 3.07Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.4Å; F86-A89 PolarHBondContact O-N 3.08Å; F86-A90 HydrophobicContact CE1-CB 4.39Å; F86-A90 VanDerWaalsContact O-CB 3.32Å; F86-A90 WeakPolarHBondContact O-CB 3.45Å; F86-A90 PolarHBondContact O-N 3.46Å
87L93.1Very high89.6Confident50 Ų5024.9 Ų24.926%0.26213%0.13SC..Hα-helixtrans-64.8-37.9176.4-69.7172.3000111.7L83 S84 A90 L91 W165L83-L87 HydrophobicContact CD1-CD1 4.3Å; L83-L87 HydrophobicContact CD1-CG 4.36Å; L83-L87 HydrophobicContact CG-CD1 4.17Å; L83-L87 WeakPolarHBondContact O-CG 3.28Å; L83-L87 PolarHBondContact O-N 3.36Å; S84-L87 PolarHBondContact O-N 3.02Å; L87-A90 PolarHBondContact O-N 3.42Å; L87-L91 HydrophobicContact CD2-CD1 3.9Å; L87-L91 VanDerWaalsContact O-CB 3.31Å; L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 PolarHBondContact O-N 2.94Å; L87-W165 HydrophobicContact CD1-CH2 3.74Å; L87-W165 HydrophobicContact CD1-CZ2 4.46Å; L87-W165 HydrophobicContact CD1-CZ3 4.41Å
88L91.6Very high88.7Confident2 Ų229 Ų291%0.0115%0.152CC..Hα-helixtrans-62-43.9173.2-168.867.8000111.3S84 N85 F86 Y92 I93 P119 N122 I123 M356 I359S84-L88 WeakPolarHBondContact O-CB 3.24Å; S84-L88 PolarHBondContact O-N 2.94Å; N85-L88 PolarHBondContact O-N 3.01Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.4Å; L88-Y92 HydrophobicContact CD1-CD1 3.27Å; L88-Y92 HydrophobicContact CD1-CE1 4.04Å; L88-Y92 HydrophobicContact CD1-CG 3.69Å; L88-Y92 HydrophobicContact CG-CD1 3.91Å; L88-Y92 VanDerWaalsContact O-CB 3.24Å; L88-Y92 WeakPolarHBondContact O-CB 3.38Å; L88-Y92 PolarHBondContact O-N 2.99Å; L88-Y92 VanDerWaalsContact O-N 3.16Å; L88-I93 PolarHBondContact O-N 2.9Å; L88-P119 HydrophobicContact CD1-CB 4.16Å; L88-N122 HydrophobicContact CB-CB 4.11Å; L88-N122 HydrophobicContact CD1-CB 4.01Å; L88-I123 HydrophobicContact CD1-CG1 4.49Å; L88-I123 HydrophobicContact CD2-CG1 4.18Å; L88-M356 HydrophobicContact CD2-SD 4.07Å; L88-M356 HydrophobicContact CG-SD 4.48Å; L88-I359 HydrophobicContact CD2-CG2 3.59Å; L88-I359 HydrophobicContact CG-CG2 4.41Å
89A92.8Very high87.7Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-65.9-44.4176.200000112.3C50 L54 N85 F86C50-A89 PolarHBondContact SG-O 3.19Å; L54-A89 HydrophobicContact CD2-CB 4.06Å; L54-A89 HydrophobicContact CG-CB 3.98Å; N85-A89 PolarHBondContact O-N 3.39Å; F86-A89 PolarHBondContact O-N 3.08Å
90A90.5Very high86.7Confident31 Ų3130.8 Ų30.826%0.25616%0.164SC..Hα-helixtrans-72.4-44.7-175.300000113.8L54 F86 L87L54-A90 HydrophobicContact CD2-CB 3.71Å; F86-A90 HydrophobicContact CE1-CB 4.39Å; F86-A90 VanDerWaalsContact O-CB 3.32Å; F86-A90 WeakPolarHBondContact O-CB 3.45Å; F86-A90 PolarHBondContact O-N 3.46Å; L87-A90 PolarHBondContact O-N 3.42Å
91L86.3Confident85.6Confident79 Ų7933 Ų3341%0.41418%0.176SC..Hα-helixtrans-110.8-15.7-164.8-56.8-178.5000113.6L87 F95 L118L87-L91 HydrophobicContact CD2-CD1 3.9Å; L87-L91 VanDerWaalsContact O-CB 3.31Å; L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 PolarHBondContact O-N 2.94Å; L91-F95 WeakPolarHBondContact O-CD2 3.35Å; L91-L118 HydrophobicContact CB-CD1 4.18Å; L91-L118 HydrophobicContact CB-CD2 3.97Å; L91-L118 HydrophobicContact CD1-CD1 4.13Å
92Y85.1Confident84.7Confident15 Ų1537.7 Ų37.76%0.05920%0.198CC..THydrogen-bonded Turntrans-107.1-55.1-176.8165.7-115.4000113L88 F95 L96 P119 M356L88-Y92 HydrophobicContact CD1-CD1 3.27Å; L88-Y92 HydrophobicContact CD1-CE1 4.04Å; L88-Y92 HydrophobicContact CD1-CG 3.69Å; L88-Y92 HydrophobicContact CG-CD1 3.91Å; L88-Y92 VanDerWaalsContact O-CB 3.24Å; L88-Y92 WeakPolarHBondContact O-CB 3.38Å; L88-Y92 PolarHBondContact O-N 2.99Å; L88-Y92 VanDerWaalsContact O-N 3.16Å; Y92-F95 PolarHBondContact O-N 3.44Å; Y92-L96 HydrophobicContact CD2-CB 3.86Å; Y92-L96 HydrophobicContact CD2-CD1 4.42Å; Y92-L96 HydrophobicContact CE2-CB 3.39Å; Y92-L96 HydrophobicContact CE2-CD1 3.33Å; Y92-L96 HydrophobicContact CE2-CD2 4.18Å; Y92-L96 HydrophobicContact CE2-CG 3.75Å; Y92-L96 PolarHBondContact O-N 3.32Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.49Å; Y92-P119 HydrophobicContact CD1-CB 4.04Å; Y92-P119 HydrophobicContact CD2-CB 3.59Å; Y92-P119 HydrophobicContact CD2-CG 3.21Å; Y92-P119 HydrophobicContact CE1-CB 3.86Å; Y92-P119 HydrophobicContact CE1-CG 4.43Å; Y92-P119 HydrophobicContact CE2-CB 3.32Å; Y92-P119 HydrophobicContact CE2-CG 2.97Å; Y92-P119 HydrophobicContact CG-CB 3.84Å; Y92-P119 HydrophobicContact CG-CG 3.94Å; Y92-P119 VanDerWaalsContact CZ-CB 3.42Å; Y92-M356 HydrophobicContact CD1-CE 4.41Å; Y92-M356 HydrophobicContact CD1-SD 4.22Å; Y92-M356 HydrophobicContact CE1-CE 3.45Å; Y92-M356 VanDerWaalsContact CE1-CE 3.45Å; Y92-M356 HydrophobicContact CE1-SD 3.73Å
93I87.9Confident83.8Confident4 Ų439 Ų392%0.02121%0.211CC..Hα-helixtrans-52.7-47.6-173-66.6177.8000112.5Y46 L49 C50 L88 F95 W97 I359Y46-I93 HydrophobicContact CD1-CG2 3.78Å; Y46-I93 HydrophobicContact CG-CG2 4.1Å; L49-I93 HydrophobicContact CB-CD1 4.23Å; C50-I93 HydrophobicContact CB-CB 4.42Å; C50-I93 HydrophobicContact CB-CD1 4.4Å; C50-I93 HydrophobicContact CB-CG2 4.07Å; L88-I93 PolarHBondContact O-N 2.9Å; I93-F95 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.26Å; I93-W97 PolarHBondContact O-N 2.91Å; I93-I359 HydrophobicContact CD1-CD1 3.51Å
94P81.7Confident83.3Confident45 Ų4536.9 Ų36.929%0.29220%0.2SC..Hα-helixtrans-63.5-36.5178.4-22.334.6000113.3L98P94-L98 WeakPolarHBondContact O-CB 3.41Å; P94-L98 WeakPolarHBondContact O-CD1 3.48Å; P94-L98 VanDerWaalsContact O-CG 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.27Å
95F77.4Confident82.9Confident81 Ų8138 Ų3836%0.35521%0.205SC..Hα-helixtrans-85.4-16.8-172.6-69-84.7000113.9L91 Y92 I93 P99 F111 A115L91-F95 WeakPolarHBondContact O-CD2 3.35Å; Y92-F95 PolarHBondContact O-N 3.44Å; I93-F95 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.26Å; F95-P99 WeakPolarHBondContact O-CD 3.19Å; F95-P99 WeakPolarHBondContact O-CG 3.42Å; F95-F111 AromaticContact CD1-CD1 3.71Å; F95-F111 HydrophobicContact CD1-CD1 3.71Å; F95-F111 AromaticContact CD1-CE1 3.86Å; F95-F111 HydrophobicContact CD1-CE1 3.86Å; F95-F111 AromaticContact CE1-CD1 3.72Å; F95-F111 HydrophobicContact CE1-CD1 3.72Å; F95-F111 AromaticContact CE1-CE1 3.35Å; F95-F111 HydrophobicContact CE1-CE1 3.35Å; F95-F111 HydrophobicContact CE1-CZ 4.26Å; F95-F111 HydrophobicContact CZ-CE1 4.05Å; F95-A115 HydrophobicContact CB-CB 4.38Å
96L76.4Confident82.6Confident21 Ų2145.2 Ų45.211%0.1124%0.237CC..Hα-helixtrans-93.1-41.3174.6-168.4112.9000112.4Y92 V100 K352Y92-L96 HydrophobicContact CD2-CB 3.86Å; Y92-L96 HydrophobicContact CD2-CD1 4.42Å; Y92-L96 HydrophobicContact CE2-CB 3.39Å; Y92-L96 HydrophobicContact CE2-CD1 3.33Å; Y92-L96 HydrophobicContact CE2-CD2 4.18Å; Y92-L96 HydrophobicContact CE2-CG 3.75Å; Y92-L96 PolarHBondContact O-N 3.32Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.49Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-K352 HydrophobicContact CD2-CD 3.45Å; L96-K352 VanDerWaalsContact CD2-CD 3.45Å
97W82.8Confident82.2Confident8 Ų845.7 Ų45.73%0.0324%0.239CC..Hα-helixtrans-73.4-46-176.5171.9-110000113A39 F42 T43 Y46 I93 V100 N101 E349A39-W97 VanDerWaalsContact O-CZ2 3.26Å; A39-W97 WeakPolarHBondContact O-CZ2 3.43Å; F42-W97 HydrophobicContact CB-CD2 4.24Å; F42-W97 HydrophobicContact CB-CE3 3.99Å; F42-W97 HydrophobicContact CB-CH2 3.11Å; F42-W97 HydrophobicContact CB-CZ2 3.38Å; F42-W97 HydrophobicContact CB-CZ3 3.43Å; F42-W97 VanDerWaalsContact CB-CZ3 3.43Å; F42-W97 HydrophobicContact CD1-CZ3 4.43Å; F42-W97 AromaticContact CD2-CH2 3.96Å; F42-W97 HydrophobicContact CD2-CH2 3.96Å; F42-W97 HydrophobicContact CD2-CZ3 4.21Å; F42-W97 AromaticContact CG-CH2 3.76Å; F42-W97 HydrophobicContact CG-CH2 3.76Å; F42-W97 HydrophobicContact CG-CZ2 4.47Å; F42-W97 AromaticContact CG-CZ3 3.82Å; F42-W97 HydrophobicContact CG-CZ3 3.82Å; T43-W97 WeakPolarHBondContact OG1-CZ2 3.33Å; T43-W97 PolarHBondContact OG1-NE1 3.28Å; Y46-W97 HydrophobicContact CD2-CB 3.73Å; Y46-W97 AromaticContact CD2-CD2 3.56Å; Y46-W97 HydrophobicContact CD2-CD2 3.56Å; Y46-W97 AromaticContact CD2-CE3 3.7Å; Y46-W97 HydrophobicContact CD2-CE3 3.7Å; Y46-W97 AromaticContact CD2-CG 3.53Å; Y46-W97 HydrophobicContact CD2-CG 3.53Å; Y46-W97 HydrophobicContact CE2-CB 4.12Å; Y46-W97 AromaticContact CE2-CD2 3.86Å; Y46-W97 HydrophobicContact CE2-CD2 3.86Å; Y46-W97 AromaticContact CE2-CE3 3.48Å; Y46-W97 HydrophobicContact CE2-CE3 3.48Å; Y46-W97 VanDerWaalsContact CE2-CE3 3.48Å; Y46-W97 HydrophobicContact CE2-CG 4.11Å; Y46-W97 HydrophobicContact CE2-CZ3 4.31Å; Y46-W97 HydrophobicContact CG-CB 4.18Å; Y46-W97 HydrophobicContact CG-CG 4.25Å; I93-W97 PolarHBondContact O-N 2.91Å; W97-V100 PolarHBondContact O-N 3.4Å; W97-N101 HydrophobicContact CH2-CB 4.49Å; W97-N101 HydrophobicContact CZ2-CB 4.11Å; W97-N101 PolarHBondContact O-N 2.9Å; W97-E349 HydrophobicContact CZ3-CG 4.05Å
98L73Confident82.1Confident93 Ų9344.6 Ų44.649%0.48724%0.24SC..Hα-helixtrans-59.4-45.7-174.1-69173000113.7P94 N101 Q102P94-L98 WeakPolarHBondContact O-CB 3.41Å; P94-L98 WeakPolarHBondContact O-CD1 3.48Å; P94-L98 VanDerWaalsContact O-CG 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.27Å; L98-N101 PolarHBondContact O-N 3.26Å; L98-Q102 PolarHBondContact O-N 3.36Å
99P70.4Confident82.1Confident11 Ų1147.5 Ų47.57%0.07126%0.255CS..Hα-helixtrans-71.7-35.1-178.3-15.329.8000112.9F95 N101 Q102 F105 H107F95-P99 WeakPolarHBondContact O-CD 3.19Å; F95-P99 WeakPolarHBondContact O-CG 3.42Å; P99-N101 PolarHBondContact O-N 3.17Å; P99-Q102 PolarHBondContact O-N 2.79Å; P99-Q102 VanDerWaalsContact O-N 3.12Å; P99-F105 HydrophobicContact CB-CD2 3.45Å; P99-F105 VanDerWaalsContact CB-CD2 3.45Å; P99-F105 HydrophobicContact CB-CE2 3.62Å; P99-F105 HydrophobicContact CG-CD2 4.21Å; P99-F105 HydrophobicContact CG-CE2 3.85Å; P99-H107 VanDerWaalsContact CG-CD2 3.46Å; P99-H107 WeakPolarHBondContact CG-CD2 3.36Å
100V73.2Confident82Confident56 Ų5653.3 Ų53.334%0.33928%0.281SS..Hα-helixtrans-60.1-34.3177.6169.40000110.9F34 L96 W97F34-V100 HydrophobicContact CE2-CG1 3.9Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; W97-V100 PolarHBondContact O-N 3.4Å
101N70.9Confident81.9Confident59 Ų5955.8 Ų55.832%0.31629%0.286SS..Hα-helixtrans-76.7-25.2177.8-170.954.7000114.1A39 W97 L98 P99A39-N101 WeakPolarHBondContact CB-OD1 3.18Å; W97-N101 HydrophobicContact CH2-CB 4.49Å; W97-N101 HydrophobicContact CZ2-CB 4.11Å; W97-N101 PolarHBondContact O-N 2.9Å; L98-N101 PolarHBondContact O-N 3.26Å; P99-N101 PolarHBondContact O-N 3.17Å
102Q73.9Confident82.1Confident100 Ų10052 Ų5247%0.46727%0.266SS..Hα-helixtrans-76.4-23.9-177.7-72.6179.9-9.500113.1L98 P99 D104L98-Q102 PolarHBondContact O-N 3.36Å; P99-Q102 PolarHBondContact O-N 2.79Å; P99-Q102 VanDerWaalsContact O-N 3.12Å; Q102-D104 PolarHBondContact O-N 3.45Å
103G76.1Confident82.4Confident28 Ų2854.7 Ų54.729%0.28928%0.276SS..SBendtrans72.2-15.6-174.600000114.6
104D83.2Confident82.4Confident24 Ų2458.7 Ų58.713%0.12829%0.293CS..SBendtrans-126.5119.2173-174.78.6000110.5Q102 K106 F203 T204Q102-D104 PolarHBondContact O-N 3.45Å; D104-K106 VanDerWaalsContact CG-CE 3.5Å; D104-K106 PolarHBondContact O-N 3.03Å; D104-K106 WeakPolarHBondContact OD2-CE 3.19Å; D104-K106 IonicContact OD2-NZ 2.62Å; D104-F203 HydrophobicContact CB-CB 4.13Å; D104-T204 PolarHBondContact OD1-N 3.19Å
105F87.5Confident82.5Confident23 Ų2357 Ų5710%0.10128%0.283CS..  trans-85.594-176.6-167.8-84.2000111.3P99 H107 F111 C112 L181 T204 C206P99-F105 HydrophobicContact CB-CD2 3.45Å; P99-F105 VanDerWaalsContact CB-CD2 3.45Å; P99-F105 HydrophobicContact CB-CE2 3.62Å; P99-F105 HydrophobicContact CG-CD2 4.21Å; P99-F105 HydrophobicContact CG-CE2 3.85Å; F105-H107 HydrophobicContact CE1-CB 3.89Å; F105-H107 HydrophobicContact CZ-CB 3.94Å; F105-F111 HydrophobicContact CZ-CB 4.34Å; F105-C112 HydrophobicContact CD1-CB 4.44Å; F105-C112 HydrophobicContact CE1-CB 3.67Å; F105-C112 HydrophobicContact CZ-CB 3.95Å; F105-L181 HydrophobicContact CD1-CD2 3.62Å; F105-L181 HydrophobicContact CE1-CD2 3.96Å; F105-T204 WeakPolarHBondContact CB-O 3.48Å; F105-T204 PolarHBondContact N-O 3.06Å; F105-C206 HydrophobicContact CD1-CB 4.06Å; F105-C206 HydrophobicContact CD2-CB 3.87Å; F105-C206 HydrophobicContact CE1-CB 4.26Å; F105-C206 HydrophobicContact CE2-CB 4.07Å; F105-C206 HydrophobicContact CG-CB 3.88Å; F105-C206 HydrophobicContact CZ-CB 4.26Å
106K86.1Confident82.9Confident156 Ų15654.9 Ų54.968%0.67828%0.276SS*.  trans-97.55.4-176.7-61.4-176-177.9-179.30115.3D104 G108D104-K106 VanDerWaalsContact CG-CE 3.5Å; D104-K106 PolarHBondContact O-N 3.03Å; D104-K106 WeakPolarHBondContact OD2-CE 3.19Å; D104-K106 IonicContact OD2-NZ 2.62Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 2.99Å
107H86.2Confident83.4Confident73 Ų7354 Ų5434%0.33827%0.272SS..SBendtrans-82.2-6.7-172.4-54.3-66.7000114.3P99 F105 F111P99-H107 VanDerWaalsContact CG-CD2 3.46Å; P99-H107 WeakPolarHBondContact CG-CD2 3.36Å; F105-H107 HydrophobicContact CE1-CB 3.89Å; F105-H107 HydrophobicContact CZ-CB 3.94Å; H107-F111 HydrophobicContact CB-CB 3.81Å; H107-F111 HydrophobicContact CB-CD2 4.33Å; H107-F111 HydrophobicContact CB-CG 4.23Å; H107-F111 WeakPolarHBondContact O-CD2 3.41Å
108G90.3Very high83.3Confident27 Ų2755.4 Ų55.428%0.27828%0.28SS..Hα-helixtrans83.8169.117800000114.5K106 F110 F111 C112K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 2.99Å; G108-F110 PolarHBondContact O-N 3.07Å; G108-F111 PolarHBondContact O-N 3.3Å; G108-C112 PolarHBondContact O-N 2.85Å; G108-C112 VanDerWaalsContact O-N 3.08Å
109L92.5Very high83.5Confident63 Ų6351.3 Ų51.333%0.3326%0.259SS..Hα-helixtrans-63.6-40.2-167.4178.457.8000113.3F111 C112 R113 D180 L181L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 3.04Å; L109-C112 WeakPolarHBondContact O-CB 3.41Å; L109-C112 PolarHBondContact O-N 3.35Å; L109-R113 HydrophobicContact CD1-CG 4.07Å; L109-R113 PolarHBondContact O-N 3.32Å; L109-D180 WeakPolarHBondContact CD1-OD1 3.47Å; L109-L181 HydrophobicContact CB-CD1 4.09Å; L109-L181 HydrophobicContact CB-CG 4.32Å; L109-L181 HydrophobicContact CD1-CG 4.28Å
110F91.1Very high83.7Confident123 Ų12351 Ų5154%0.53926%0.258SS..Hα-helixtrans-53.8-53.3177.5175.6-92.5000110.5G108 C112 R113 F114G108-F110 PolarHBondContact O-N 3.07Å; F110-C112 PolarHBondContact O-N 3.14Å; F110-R113 PolarHBondContact O-N 3.23Å; F110-F114 HydrophobicContact CD1-CD2 4.28Å; F110-F114 AromaticContact CD2-CD2 3.6Å; F110-F114 HydrophobicContact CD2-CD2 3.6Å; F110-F114 AromaticContact CD2-CE2 3.47Å; F110-F114 HydrophobicContact CD2-CE2 3.47Å; F110-F114 VanDerWaalsContact CD2-CE2 3.47Å; F110-F114 HydrophobicContact CD2-CZ 4.4Å; F110-F114 HydrophobicContact CE1-CD2 4.09Å; F110-F114 HydrophobicContact CE1-CG 4.24Å; F110-F114 AromaticContact CE2-CD2 3.4Å; F110-F114 HydrophobicContact CE2-CD2 3.4Å; F110-F114 VanDerWaalsContact CE2-CD2 3.4Å; F110-F114 HydrophobicContact CE2-CE1 4.32Å; F110-F114 AromaticContact CE2-CE2 3.07Å; F110-F114 HydrophobicContact CE2-CE2 3.07Å; F110-F114 HydrophobicContact CE2-CG 4.16Å; F110-F114 AromaticContact CE2-CZ 3.59Å; F110-F114 HydrophobicContact CE2-CZ 3.59Å; F110-F114 HydrophobicContact CG-CD2 4.04Å; F110-F114 HydrophobicContact CG-CE2 4.36Å; F110-F114 HydrophobicContact CZ-CD1 4.24Å; F110-F114 AromaticContact CZ-CD2 3.65Å; F110-F114 HydrophobicContact CZ-CD2 3.65Å; F110-F114 HydrophobicContact CZ-CE1 4.25Å; F110-F114 AromaticContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CE2 3.68Å; F110-F114 AromaticContact CZ-CG 3.94Å; F110-F114 HydrophobicContact CZ-CG 3.94Å; F110-F114 AromaticContact CZ-CZ 3.98Å; F110-F114 HydrophobicContact CZ-CZ 3.98Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 VanDerWaalsContact O-CD2 3.27Å; F110-F114 WeakPolarHBondContact O-CD2 3.15Å; F110-F114 PolarHBondContact O-N 2.81Å
111F87.8Confident84.1Confident82 Ų8248.4 Ų48.436%0.3624%0.242SC..Hα-helixtrans-67.2-36.1180-73.6-78.6000112.4F95 F105 H107 G108 L109 R113 F114 A115F95-F111 AromaticContact CD1-CD1 3.71Å; F95-F111 HydrophobicContact CD1-CD1 3.71Å; F95-F111 AromaticContact CD1-CE1 3.86Å; F95-F111 HydrophobicContact CD1-CE1 3.86Å; F95-F111 AromaticContact CE1-CD1 3.72Å; F95-F111 HydrophobicContact CE1-CD1 3.72Å; F95-F111 AromaticContact CE1-CE1 3.35Å; F95-F111 HydrophobicContact CE1-CE1 3.35Å; F95-F111 HydrophobicContact CE1-CZ 4.26Å; F95-F111 HydrophobicContact CZ-CE1 4.05Å; F105-F111 HydrophobicContact CZ-CB 4.34Å; H107-F111 HydrophobicContact CB-CB 3.81Å; H107-F111 HydrophobicContact CB-CD2 4.33Å; H107-F111 HydrophobicContact CB-CG 4.23Å; H107-F111 WeakPolarHBondContact O-CD2 3.41Å; G108-F111 PolarHBondContact O-N 3.3Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 3.04Å; F111-R113 VanDerWaalsContact C-N 3.35Å; F111-R113 PolarHBondContact O-N 3.11Å; F111-F114 PolarHBondContact O-N 2.88Å; F111-A115 WeakPolarHBondContact O-CB 3.48Å; F111-A115 PolarHBondContact O-N 3.26Å
112C90.4Very high84.8Confident0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-55.6-48.5174.4172.60000112F105 G108 L109 F110 N116 L181 C206F105-C112 HydrophobicContact CD1-CB 4.44Å; F105-C112 HydrophobicContact CE1-CB 3.67Å; F105-C112 HydrophobicContact CZ-CB 3.95Å; G108-C112 PolarHBondContact O-N 2.85Å; G108-C112 VanDerWaalsContact O-N 3.08Å; L109-C112 WeakPolarHBondContact O-CB 3.41Å; L109-C112 PolarHBondContact O-N 3.35Å; F110-C112 PolarHBondContact O-N 3.14Å; C112-N116 PolarHBondContact O-ND2 2.94Å; C112-L181 HydrophobicContact CB-CD2 3.77Å; C112-C206 VanDerWaalsContact C-SG 3.59Å; C112-C206 WeakPolarHBondContact CA-SG 3.39Å; C112-C206 HydrophobicContact CB-CB 3.79Å; C112-C206 WeakPolarHBondContact CB-SG 3.38Å; C112-C206 PolarHBondContact O-SG 2.84Å; C112-C206 VanDerWaalsContact O-SG 3.39Å; C112-C206 VanDerWaalsContact SG-CA 3.55Å; C112-C206 WeakPolarHBondContact SG-CB 3.33Å; C112-C206 CovalentContact SG-SG 2.03Å; C112-C206 PolarHBondContact SG-SG 3.48Å
113R91.9Very high85.4Confident72 Ų7241.7 Ų41.727%0.27221%0.209SC..Hα-helixtrans-70.2-48.2179.5-71.1177.5172.5-179.55.7112.3L109 F110 F111 N116 A117 L176 Y179L109-R113 HydrophobicContact CD1-CG 4.07Å; L109-R113 PolarHBondContact O-N 3.32Å; F110-R113 PolarHBondContact O-N 3.23Å; F111-R113 VanDerWaalsContact C-N 3.35Å; F111-R113 PolarHBondContact O-N 3.11Å; R113-N116 PolarHBondContact O-N 3.1Å; R113-A117 WeakPolarHBondContact O-CB 3.27Å; R113-A117 PolarHBondContact O-N 3.38Å; R113-L176 HydrophobicContact CB-CD1 4.01Å; R113-L176 VanDerWaalsContact CD-O 3.23Å; R113-L176 WeakPolarHBondContact CD-O 3.23Å; R113-L176 WeakPolarHBondContact CG-O 3.49Å; R113-Y179 VanDerWaalsContact CG-O 3.24Å; R113-Y179 WeakPolarHBondContact CG-O 3.48Å; R113-Y179 PolarHBondContact NE-O 3.46Å
114F87.1Confident86Confident87 Ų8740.4 Ų40.438%0.38220%0.196SC..Hα-helixtrans-68.9-39.9-176.2-85.8-96.1000112.8F110 F111 N116 A117 L118 L176F110-F114 HydrophobicContact CD1-CD2 4.28Å; F110-F114 AromaticContact CD2-CD2 3.6Å; F110-F114 HydrophobicContact CD2-CD2 3.6Å; F110-F114 AromaticContact CD2-CE2 3.47Å; F110-F114 HydrophobicContact CD2-CE2 3.47Å; F110-F114 VanDerWaalsContact CD2-CE2 3.47Å; F110-F114 HydrophobicContact CD2-CZ 4.4Å; F110-F114 HydrophobicContact CE1-CD2 4.09Å; F110-F114 HydrophobicContact CE1-CG 4.24Å; F110-F114 AromaticContact CE2-CD2 3.4Å; F110-F114 HydrophobicContact CE2-CD2 3.4Å; F110-F114 VanDerWaalsContact CE2-CD2 3.4Å; F110-F114 HydrophobicContact CE2-CE1 4.32Å; F110-F114 AromaticContact CE2-CE2 3.07Å; F110-F114 HydrophobicContact CE2-CE2 3.07Å; F110-F114 HydrophobicContact CE2-CG 4.16Å; F110-F114 AromaticContact CE2-CZ 3.59Å; F110-F114 HydrophobicContact CE2-CZ 3.59Å; F110-F114 HydrophobicContact CG-CD2 4.04Å; F110-F114 HydrophobicContact CG-CE2 4.36Å; F110-F114 HydrophobicContact CZ-CD1 4.24Å; F110-F114 AromaticContact CZ-CD2 3.65Å; F110-F114 HydrophobicContact CZ-CD2 3.65Å; F110-F114 HydrophobicContact CZ-CE1 4.25Å; F110-F114 AromaticContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CE2 3.68Å; F110-F114 AromaticContact CZ-CG 3.94Å; F110-F114 HydrophobicContact CZ-CG 3.94Å; F110-F114 AromaticContact CZ-CZ 3.98Å; F110-F114 HydrophobicContact CZ-CZ 3.98Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 VanDerWaalsContact O-CD2 3.27Å; F110-F114 WeakPolarHBondContact O-CD2 3.15Å; F110-F114 PolarHBondContact O-N 2.81Å; F111-F114 PolarHBondContact O-N 2.88Å; F114-N116 PolarHBondContact O-N 3.48Å; F114-A117 PolarHBondContact O-N 3.14Å; F114-L118 WeakPolarHBondContact O-CB 3.22Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-L176 HydrophobicContact CD2-CD1 4.05Å; F114-L176 HydrophobicContact CE2-CD1 4.06Å; F114-L176 HydrophobicContact CG-CD1 4.33Å; F114-L176 HydrophobicContact CZ-CD1 4.37Å
115A84.6Confident86.5Confident10 Ų1039.3 Ų39.38%0.08319%0.189CC..Hα-helixtrans-64.8-23.6179.300000112.8F95 F111 P119F95-A115 HydrophobicContact CB-CB 4.38Å; F111-A115 WeakPolarHBondContact O-CB 3.48Å; F111-A115 PolarHBondContact O-N 3.26Å; A115-P119 WeakPolarHBondContact O-CD 3.2Å; A115-P119 WeakPolarHBondContact O-CG 3.39Å
116N86.2Confident86.6Confident36 Ų3638.5 Ų38.519%0.19319%0.187CC..Hα-helixtrans-94.9-27.1176.2-73.1-78.5000113.4C112 R113 F114 P119 Y175 Y179 C206C112-N116 PolarHBondContact O-ND2 2.94Å; R113-N116 PolarHBondContact O-N 3.1Å; F114-N116 PolarHBondContact O-N 3.48Å; N116-P119 VanDerWaalsContact C-CD 3.41Å; N116-P119 WeakPolarHBondContact O-CD 3.48Å; N116-Y175 HydrophobicContact CB-CD1 4.4Å; N116-Y179 HydrophobicContact CB-CD1 3.94Å; N116-Y179 HydrophobicContact CB-CD2 4.13Å; N116-Y179 HydrophobicContact CB-CE1 3.9Å; N116-Y179 HydrophobicContact CB-CE2 4.13Å; N116-Y179 HydrophobicContact CB-CG 4.02Å; N116-Y179 WeakPolarHBondContact ND2-CD1 3.15Å; N116-Y179 WeakPolarHBondContact ND2-CE1 3.46Å; N116-Y179 WeakPolarHBondContact OD1-CE1 3.41Å; N116-C206 PolarHBondContact ND2-SG 3.07Å
117A87.1Confident86.7Confident4 Ų431.2 Ų31.23%0.03316%0.156CC..Hα-helixtrans-88-45.7-179.600000114.5R113 F114 P119 G120 S121 S172 L176R113-A117 WeakPolarHBondContact O-CB 3.27Å; R113-A117 PolarHBondContact O-N 3.38Å; F114-A117 PolarHBondContact O-N 3.14Å; A117-P119 WeakPolarHBondContact O-CD 3.4Å; A117-G120 PolarHBondContact O-N 3.14Å; A117-S121 PolarHBondContact O-N 3.39Å; A117-S121 VanDerWaalsContact O-N 3.08Å; A117-S172 VanDerWaalsContact O-CB 3.3Å; A117-S172 WeakPolarHBondContact O-CB 3.42Å; A117-L176 HydrophobicContact CB-CB 3.77Å; A117-L176 HydrophobicContact CB-CD1 3.86Å; A117-L176 HydrophobicContact CB-CG 4.42Å
118L80.2Confident87Confident37 Ų3729.2 Ų29.219%0.19415%0.147CC..Hα-helixtrans-55.3-34.1178.3-169.3143.5000116L91 F114 S121 N122L91-L118 HydrophobicContact CB-CD1 4.18Å; L91-L118 HydrophobicContact CB-CD2 3.97Å; L91-L118 HydrophobicContact CD1-CD1 4.13Å; F114-L118 WeakPolarHBondContact O-CB 3.22Å; F114-L118 PolarHBondContact O-N 3.21Å; L118-S121 PolarHBondContact O-OG 2.97Å; L118-N122 VanDerWaalsContact CD2-ND2 3.3Å; L118-N122 WeakPolarHBondContact CD2-ND2 3.22Å; L118-N122 PolarHBondContact O-N 3.44Å; L118-N122 VanDerWaalsContact O-N 3.12Å; L118-N122 PolarHBondContact O-ND2 3.39Å
119P76.8Confident87.2Confident7 Ų727.9 Ų27.95%0.04513%0.134CC..Hα-helixtrans-69.3-47.6177-2.118000109.4L88 Y92 A115 N116 A117 S121 N122 I123L88-P119 HydrophobicContact CD1-CB 4.16Å; Y92-P119 HydrophobicContact CD1-CB 4.04Å; Y92-P119 HydrophobicContact CD2-CB 3.59Å; Y92-P119 HydrophobicContact CD2-CG 3.21Å; Y92-P119 HydrophobicContact CE1-CB 3.86Å; Y92-P119 HydrophobicContact CE1-CG 4.43Å; Y92-P119 HydrophobicContact CE2-CB 3.32Å; Y92-P119 HydrophobicContact CE2-CG 2.97Å; Y92-P119 HydrophobicContact CG-CB 3.84Å; Y92-P119 HydrophobicContact CG-CG 3.94Å; Y92-P119 VanDerWaalsContact CZ-CB 3.42Å; A115-P119 WeakPolarHBondContact O-CD 3.2Å; A115-P119 WeakPolarHBondContact O-CG 3.39Å; N116-P119 VanDerWaalsContact C-CD 3.41Å; N116-P119 WeakPolarHBondContact O-CD 3.48Å; A117-P119 WeakPolarHBondContact O-CD 3.4Å; P119-S121 VanDerWaalsContact C-N 3.32Å; P119-S121 PolarHBondContact O-N 2.88Å; P119-N122 PolarHBondContact O-N 3.07Å; P119-I123 HydrophobicContact CB-CD1 4.27Å; P119-I123 WeakPolarHBondContact O-CD1 3Å; P119-I123 WeakPolarHBondContact O-CG1 3.28Å; P119-I123 PolarHBondContact O-N 3.2Å
120G75.4Confident87Confident5 Ų525 Ų255%0.05212%0.119CC..Hα-helixtrans-50.4-52.8175.100000110.9A117 N122 I123 Y124A117-G120 PolarHBondContact O-N 3.14Å; G120-N122 PolarHBondContact O-N 3.24Å; G120-I123 PolarHBondContact O-N 3.05Å; G120-Y124 VanDerWaalsContact C-CD2 3.44Å; G120-Y124 WeakPolarHBondContact O-CB 3.18Å; G120-Y124 WeakPolarHBondContact O-CD2 3.34Å; G120-Y124 PolarHBondContact O-N 3.12Å
121S80.7Confident87.1Confident1 Ų119.6 Ų19.61%0.00710%0.096CC..Hα-helixtrans-61.7-43.5-179.470.60000112.9A117 L118 P119 C125 A168A117-S121 PolarHBondContact O-N 3.39Å; A117-S121 VanDerWaalsContact O-N 3.08Å; L118-S121 PolarHBondContact O-OG 2.97Å; P119-S121 VanDerWaalsContact C-N 3.32Å; P119-S121 PolarHBondContact O-N 2.88Å; S121-C125 VanDerWaalsContact O-CB 3.24Å; S121-C125 WeakPolarHBondContact O-CB 3.14Å; S121-C125 PolarHBondContact O-N 3.42Å; S121-A168 WeakPolarHBondContact O-CB 3.36Å
122N86Confident87.3Confident3 Ų317.5 Ų17.52%0.0169%0.09CC..Hα-helixtrans-67.7-40.2179-81.1-37.6000112.6L88 L118 P119 G120 C125 S126 W165L88-N122 HydrophobicContact CB-CB 4.11Å; L88-N122 HydrophobicContact CD1-CB 4.01Å; L118-N122 VanDerWaalsContact CD2-ND2 3.3Å; L118-N122 WeakPolarHBondContact CD2-ND2 3.22Å; L118-N122 PolarHBondContact O-N 3.44Å; L118-N122 VanDerWaalsContact O-N 3.12Å; L118-N122 PolarHBondContact O-ND2 3.39Å; P119-N122 PolarHBondContact O-N 3.07Å; G120-N122 PolarHBondContact O-N 3.24Å; N122-C125 PolarHBondContact O-N 3.16Å; N122-S126 WeakPolarHBondContact O-CB 3.17Å; N122-S126 PolarHBondContact O-N 2.74Å; N122-S126 PolarHBondContact O-OG 2.94Å; N122-W165 WeakPolarHBondContact OD1-CH2 3.34Å; N122-W165 WeakPolarHBondContact OD1-CZ3 3.35Å
123I85.4Confident87.3Confident14 Ų1418.1 Ų18.17%0.0729%0.093CC..Hα-helixtrans-69.3-42.1178.2-54.1151.8000110.1L88 P119 G120 C125 S126 T127 L242 W319 M356L88-I123 HydrophobicContact CD1-CG1 4.49Å; L88-I123 HydrophobicContact CD2-CG1 4.18Å; P119-I123 HydrophobicContact CB-CD1 4.27Å; P119-I123 WeakPolarHBondContact O-CD1 3Å; P119-I123 WeakPolarHBondContact O-CG1 3.28Å; P119-I123 PolarHBondContact O-N 3.2Å; G120-I123 PolarHBondContact O-N 3.05Å; I123-C125 VanDerWaalsContact C-N 3.33Å; I123-C125 PolarHBondContact O-N 3.34Å; I123-S126 PolarHBondContact O-N 3.47Å; I123-T127 VanDerWaalsContact O-CB 3.31Å; I123-T127 WeakPolarHBondContact O-CB 3.09Å; I123-T127 PolarHBondContact O-N 3.37Å; I123-T127 PolarHBondContact O-OG1 2.94Å; I123-L242 HydrophobicContact CB-CD1 3.93Å; I123-L242 HydrophobicContact CG2-CD1 3.55Å; I123-L242 HydrophobicContact CG2-CD2 3.99Å; I123-L242 HydrophobicContact CG2-CG 4.02Å; I123-W319 HydrophobicContact CB-CH2 4.08Å; I123-W319 HydrophobicContact CB-CZ2 4.32Å; I123-W319 HydrophobicContact CD1-CH2 3.26Å; I123-W319 HydrophobicContact CD1-CZ2 4.17Å; I123-W319 HydrophobicContact CD1-CZ3 3.82Å; I123-W319 HydrophobicContact CG1-CH2 3.49Å; I123-W319 VanDerWaalsContact CG1-CH2 3.49Å; I123-W319 HydrophobicContact CG1-CZ2 3.89Å; I123-W319 HydrophobicContact CG1-CZ3 4.36Å; I123-W319 HydrophobicContact CG2-CD2 4.34Å; I123-W319 HydrophobicContact CG2-CE3 4.27Å; I123-W319 HydrophobicContact CG2-CH2 3.37Å; I123-W319 HydrophobicContact CG2-CZ2 3.36Å; I123-W319 HydrophobicContact CG2-CZ3 3.8Å; I123-M356 HydrophobicContact CD1-CE 4.42Å
124Y90.2Very high87.2Confident2 Ų214.8 Ų14.81%0.0088%0.08CC..Hα-helixtrans-57.1-48171.7-77.3-58.6000110.5G120 S126 T127 L128 L171 Q238 F241 L242G120-Y124 VanDerWaalsContact C-CD2 3.44Å; G120-Y124 WeakPolarHBondContact O-CB 3.18Å; G120-Y124 WeakPolarHBondContact O-CD2 3.34Å; G120-Y124 PolarHBondContact O-N 3.12Å; Y124-S126 PolarHBondContact O-N 3.02Å; Y124-T127 PolarHBondContact O-N 3.34Å; Y124-L128 VanDerWaalsContact O-CB 3.31Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 WeakPolarHBondContact O-CD1 3.48Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.18Å; Y124-L171 HydrophobicContact CD1-CB 4.42Å; Y124-L171 HydrophobicContact CD1-CD1 3.68Å; Y124-L171 HydrophobicContact CD2-CB 3.75Å; Y124-L171 HydrophobicContact CD2-CD1 4.42Å; Y124-L171 HydrophobicContact CE1-CB 4.23Å; Y124-L171 HydrophobicContact CE1-CD1 3.79Å; Y124-L171 HydrophobicContact CE2-CB 3.58Å; Y124-L171 HydrophobicContact CG-CB 4.22Å; Y124-L171 HydrophobicContact CG-CD1 4.05Å; Y124-Q238 WeakPolarHBondContact OH-CA 3.47Å; Y124-Q238 WeakPolarHBondContact OH-CG 3.47Å; Y124-F241 HydrophobicContact CE1-CB 3.82Å; Y124-L242 HydrophobicContact CD1-CB 4.15Å; Y124-L242 HydrophobicContact CD1-CD1 3.33Å; Y124-L242 HydrophobicContact CD1-CG 4.36Å; Y124-L242 HydrophobicContact CD2-CD1 4.45Å; Y124-L242 HydrophobicContact CE1-CB 3.68Å; Y124-L242 HydrophobicContact CE1-CD1 3.63Å; Y124-L242 HydrophobicContact CE1-CG 4.26Å; Y124-L242 HydrophobicContact CG-CD1 3.75Å
125C92.7Very high87.4Confident0 Ų012.3 Ų12.30%07%0.073CC..Hα-helixtrans-58.2-50.2178.9-1770000111.4N80 S121 N122 I123 T127 T129 I164 W165 A168N80-C125 PolarHBondContact ND2-SG 3.19Å; N80-C125 VanDerWaalsContact ND2-SG 3.43Å; S121-C125 VanDerWaalsContact O-CB 3.24Å; S121-C125 WeakPolarHBondContact O-CB 3.14Å; S121-C125 PolarHBondContact O-N 3.42Å; N122-C125 PolarHBondContact O-N 3.16Å; I123-C125 VanDerWaalsContact C-N 3.33Å; I123-C125 PolarHBondContact O-N 3.34Å; C125-T127 VanDerWaalsContact C-N 3.31Å; C125-T127 PolarHBondContact O-N 2.97Å; C125-T129 VanDerWaalsContact O-CB 3.23Å; C125-T129 WeakPolarHBondContact O-CB 3.42Å; C125-T129 PolarHBondContact O-N 3.42Å; C125-T129 PolarHBondContact O-OG1 2.93Å; C125-I164 HydrophobicContact CB-CG2 4.27Å; C125-W165 HydrophobicContact CB-CE3 4.4Å; C125-W165 HydrophobicContact CB-CZ3 4.4Å; C125-A168 HydrophobicContact CB-CB 4.11Å
126S90.2Very high87.7Confident7 Ų713.3 Ų13.35%0.0498%0.076CC..Hα-helixtrans-56.4-46.6177.2-71.90000111.6L81 S84 N85 N122 I123 Y124 T129 I130L81-S126 VanDerWaalsContact CD1-CA 3.48Å; L81-S126 VanDerWaalsContact CD1-CB 3.45Å; S84-S126 WeakPolarHBondContact CB-OG 3.06Å; S84-S126 PolarHBondContact OG-OG 2.83Å; N85-S126 PolarHBondContact OD1-OG 3.14Å; N122-S126 WeakPolarHBondContact O-CB 3.17Å; N122-S126 PolarHBondContact O-N 2.74Å; N122-S126 PolarHBondContact O-OG 2.94Å; I123-S126 PolarHBondContact O-N 3.47Å; Y124-S126 PolarHBondContact O-N 3.02Å; S126-T129 WeakPolarHBondContact O-CB 3.5Å; S126-T129 PolarHBondContact O-N 3.47Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 2.92Å
127T88.5Confident87.7Confident3 Ų313.9 Ų13.92%0.0188%0.076CC..Hα-helixtrans-73.6-43.7-172.4-54.40000113I123 Y124 C125 T129 I130 S131 L242 P246 Y315I123-T127 VanDerWaalsContact O-CB 3.31Å; I123-T127 WeakPolarHBondContact O-CB 3.09Å; I123-T127 PolarHBondContact O-N 3.37Å; I123-T127 PolarHBondContact O-OG1 2.94Å; Y124-T127 PolarHBondContact O-N 3.34Å; C125-T127 VanDerWaalsContact C-N 3.31Å; C125-T127 PolarHBondContact O-N 2.97Å; T127-T129 PolarHBondContact O-N 3.49Å; T127-I130 PolarHBondContact O-N 3.37Å; T127-S131 PolarHBondContact O-N 3.49Å; T127-S131 PolarHBondContact O-OG 3.29Å; T127-L242 WeakPolarHBondContact CG2-O 3.39Å; T127-P246 HydrophobicContact CG2-CB 3.22Å; T127-P246 HydrophobicContact CG2-CG 3.38Å; T127-Y315 HydrophobicContact CG2-CD1 4.31Å; T127-Y315 HydrophobicContact CG2-CD2 4.35Å; T127-Y315 HydrophobicContact CG2-CE1 3.61Å; T127-Y315 HydrophobicContact CG2-CE2 3.7Å; T127-Y315 WeakPolarHBondContact CG2-OH 3.32Å; T127-Y315 WeakPolarHBondContact OG1-CE2 3.38Å; T127-Y315 PolarHBondContact OG1-OH 2.85Å
128L92.2Very high87.7Confident30 Ų3015.6 Ų15.616%0.1578%0.082CC..Hα-helixtrans-62.1-36.9173-68.1168.9000110.6Y124 S131 V132 I164 F167Y124-L128 VanDerWaalsContact O-CB 3.31Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 WeakPolarHBondContact O-CD1 3.48Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.18Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 2.88Å; L128-V132 WeakPolarHBondContact O-CG2 3.27Å; L128-V132 PolarHBondContact O-N 3.38Å; L128-I164 HydrophobicContact CB-CG1 4.27Å; L128-I164 HydrophobicContact CB-CG2 3.8Å; L128-I164 HydrophobicContact CD1-CG2 4.22Å; L128-F167 HydrophobicContact CD1-CD1 3.77Å; L128-F167 HydrophobicContact CD1-CE1 4.49Å
129T93.3Very high88.1Confident0 Ų019.1 Ų19.10%09%0.093CC..Hα-helixtrans-61.7-48.2175.1-59.60000111.5F77 N80 L81 C125 S126 T127 S131 V132 M133F77-T129 HydrophobicContact CB-CG2 3.93Å; F77-T129 WeakPolarHBondContact O-CG2 3.48Å; N80-T129 HydrophobicContact CB-CG2 4.18Å; N80-T129 PolarHBondContact ND2-OG1 3.33Å; L81-T129 HydrophobicContact CB-CG2 3.98Å; C125-T129 VanDerWaalsContact O-CB 3.23Å; C125-T129 WeakPolarHBondContact O-CB 3.42Å; C125-T129 PolarHBondContact O-N 3.42Å; C125-T129 PolarHBondContact O-OG1 2.93Å; S126-T129 WeakPolarHBondContact O-CB 3.5Å; S126-T129 PolarHBondContact O-N 3.47Å; T127-T129 PolarHBondContact O-N 3.49Å; T129-S131 VanDerWaalsContact C-N 3.27Å; T129-S131 PolarHBondContact O-N 3.48Å; T129-V132 PolarHBondContact O-N 3.25Å; T129-M133 HydrophobicContact CG2-CG 4.39Å; T129-M133 HydrophobicContact CG2-SD 3.95Å; T129-M133 WeakPolarHBondContact O-CB 3.3Å; T129-M133 WeakPolarHBondContact O-CG 3.32Å; T129-M133 PolarHBondContact O-N 2.88Å
130I89.8Confident88.4Confident3 Ų321 Ų212%0.01510%0.101CC..Hα-helixtrans-61-39.6177.7-61.6167.2000110.7L81 S126 T127 M133 A134 L250 M311L81-I130 HydrophobicContact CD1-CD1 4.33Å; L81-I130 HydrophobicContact CD1-CG1 4.21Å; L81-I130 HydrophobicContact CD2-CD1 4.31Å; L81-I130 HydrophobicContact CD2-CG1 3.81Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 2.92Å; T127-I130 PolarHBondContact O-N 3.37Å; I130-M133 WeakPolarHBondContact O-CB 3.37Å; I130-M133 PolarHBondContact O-N 3.33Å; I130-A134 PolarHBondContact O-N 3.31Å; I130-L250 HydrophobicContact CG2-CD1 4.02Å; I130-L250 HydrophobicContact CG2-CD2 3.81Å; I130-M311 HydrophobicContact CG2-CB 3.89Å
131S91.8Very high88.7Confident8 Ų821.6 Ų21.66%0.05610%0.104CC..Hα-helixtrans-60.4-50.9175.9-58.90000111.8T127 L128 T129 M133 A134 V135 P246T127-S131 PolarHBondContact O-N 3.49Å; T127-S131 PolarHBondContact O-OG 3.29Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 2.88Å; T129-S131 VanDerWaalsContact C-N 3.27Å; T129-S131 PolarHBondContact O-N 3.48Å; S131-M133 VanDerWaalsContact C-N 3.27Å; S131-M133 PolarHBondContact O-N 3.18Å; S131-A134 PolarHBondContact O-N 2.86Å; S131-A134 VanDerWaalsContact O-N 3.17Å; S131-V135 WeakPolarHBondContact O-CG2 3.47Å; S131-V135 PolarHBondContact O-N 3.32Å; S131-V135 VanDerWaalsContact O-N 3.14Å; S131-P246 WeakPolarHBondContact OG-CA 3.36Å; S131-P246 WeakPolarHBondContact OG-CB 3.33Å
132V93.2Very high88.8Confident38 Ų3823.5 Ų23.523%0.2312%0.115CC..Hα-helixtrans-61.9-36.2176.4168.40000111.4F77 L128 T129 A134 V135 D136 V160 I164F77-V132 HydrophobicContact CD1-CG1 4.03Å; F77-V132 HydrophobicContact CE1-CG1 3.49Å; F77-V132 VanDerWaalsContact CE1-CG1 3.49Å; F77-V132 HydrophobicContact CE2-CG1 4.07Å; F77-V132 HydrophobicContact CZ-CG1 3.51Å; L128-V132 WeakPolarHBondContact O-CG2 3.27Å; L128-V132 PolarHBondContact O-N 3.38Å; T129-V132 PolarHBondContact O-N 3.25Å; V132-A134 VanDerWaalsContact C-N 3.35Å; V132-A134 PolarHBondContact O-N 3.01Å; V132-V135 PolarHBondContact O-N 3.45Å; V132-D136 VanDerWaalsContact O-CB 3.25Å; V132-D136 WeakPolarHBondContact O-CB 3.49Å; V132-D136 PolarHBondContact O-N 2.98Å; V132-V160 HydrophobicContact CG1-CG1 3.83Å; V132-V160 HydrophobicContact CG2-CG1 4.21Å; V132-I164 HydrophobicContact CB-CD1 4.36Å; V132-I164 HydrophobicContact CG2-CD1 4.03Å
133M90.8Very high88.5Confident14 Ų1426.5 Ų26.57%0.06913%0.132CC..Hα-helixtrans-61.6-41.8175.5-71.8172.772.300112F77 V78 L81 T129 I130 S131 R137 Y366F77-M133 HydrophobicContact CB-CE 4.47Å; F77-M133 HydrophobicContact CB-CG 3.34Å; F77-M133 HydrophobicContact CB-SD 3.73Å; F77-M133 HydrophobicContact CD2-CG 4.25Å; F77-M133 HydrophobicContact CG-CG 3.96Å; V78-M133 HydrophobicContact CG2-CE 3.78Å; L81-M133 HydrophobicContact CD2-SD 4.49Å; T129-M133 HydrophobicContact CG2-CG 4.39Å; T129-M133 HydrophobicContact CG2-SD 3.95Å; T129-M133 WeakPolarHBondContact O-CB 3.3Å; T129-M133 WeakPolarHBondContact O-CG 3.32Å; T129-M133 PolarHBondContact O-N 2.88Å; I130-M133 WeakPolarHBondContact O-CB 3.37Å; I130-M133 PolarHBondContact O-N 3.33Å; S131-M133 VanDerWaalsContact C-N 3.27Å; S131-M133 PolarHBondContact O-N 3.18Å; M133-R137 WeakPolarHBondContact O-CB 3.47Å; M133-R137 VanDerWaalsContact O-CG 3.23Å; M133-R137 WeakPolarHBondContact O-CG 3.41Å; M133-R137 PolarHBondContact O-N 2.98Å; M133-Y366 HydrophobicContact CE-CE1 3.34Å; M133-Y366 WeakPolarHBondContact CE-OH 3.03Å; M133-Y366 PolarHBondContact SD-OH 3.03Å
134A89.6Confident87.8Confident1 Ų130.1 Ų30.11%0.00815%0.15CC..Hα-helixtrans-63.3-42.517500000112.1I130 S131 V132 R137 Y138 L250 L308I130-A134 PolarHBondContact O-N 3.31Å; S131-A134 PolarHBondContact O-N 2.86Å; S131-A134 VanDerWaalsContact O-N 3.17Å; V132-A134 VanDerWaalsContact C-N 3.35Å; V132-A134 PolarHBondContact O-N 3.01Å; A134-R137 PolarHBondContact O-N 3.23Å; A134-Y138 PolarHBondContact O-N 2.91Å; A134-L250 HydrophobicContact CB-CD2 3.65Å; A134-L308 HydrophobicContact CB-CD1 4.36Å; A134-L308 HydrophobicContact CB-CD2 4.07Å
135V91.5Very high86.1Confident36 Ų3641.8 Ų41.822%0.21819%0.194CC..Hα-helixtrans-62.1-51.6176.3178.70000111.2S131 V132 R137 Y138 Y139 V249 Y253S131-V135 WeakPolarHBondContact O-CG2 3.47Å; S131-V135 PolarHBondContact O-N 3.32Å; S131-V135 VanDerWaalsContact O-N 3.14Å; V132-V135 PolarHBondContact O-N 3.45Å; V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 3.08Å; V135-Y138 WeakPolarHBondContact O-CB 3.38Å; V135-Y138 PolarHBondContact O-N 3.31Å; V135-Y138 VanDerWaalsContact O-N 3.14Å; V135-Y139 HydrophobicContact CG1-CD2 3.75Å; V135-Y139 HydrophobicContact CG1-CE2 3.69Å; V135-Y139 WeakPolarHBondContact O-CD2 3.33Å; V135-Y139 PolarHBondContact O-N 3.41Å; V135-Y139 VanDerWaalsContact O-N 3.09Å; V135-V249 HydrophobicContact CG2-CG1 3.98Å; V135-Y253 HydrophobicContact CB-CD1 4.48Å; V135-Y253 HydrophobicContact CB-CE1 4.32Å; V135-Y253 HydrophobicContact CG1-CE1 4.03Å; V135-Y253 HydrophobicContact CG2-CD1 4.23Å; V135-Y253 HydrophobicContact CG2-CD2 3.68Å; V135-Y253 HydrophobicContact CG2-CE1 4.09Å; V135-Y253 HydrophobicContact CG2-CE2 3.54Å; V135-Y253 HydrophobicContact CG2-CG 4.02Å
136D89.5Confident84.5Confident31 Ų3148.9 Ų48.917%0.16623%0.227CC..Hα-helixtrans-57.5-4317816964.3000111.2F77 V132 Y138 Y139 Q140F77-D136 HydrophobicContact CE2-CB 4.06Å; V132-D136 VanDerWaalsContact O-CB 3.25Å; V132-D136 WeakPolarHBondContact O-CB 3.49Å; V132-D136 PolarHBondContact O-N 2.98Å; D136-Y138 PolarHBondContact O-N 2.53Å; D136-Y139 PolarHBondContact O-N 2.96Å; D136-Q140 WeakPolarHBondContact O-CB 3.33Å; D136-Q140 VanDerWaalsContact O-CG 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.28Å; D136-Q140 PolarHBondContact O-N 2.88Å; D136-Q140 PolarHBondContact OD1-NE2 2.64Å; D136-Q140 PolarHBondContact OD2-NE2 3.25Å
137R86.9Confident83.1Confident47 Ų4754.7 Ų54.718%0.17725%0.254CS..Hα-helixtrans-60.7-44.4175.4-76.7-48.492.117513.6112.5S74 M133 A134 V135 Q140 V141 L308S74-R137 PolarHBondContact OG-NH2 2.71Å; M133-R137 WeakPolarHBondContact O-CB 3.47Å; M133-R137 VanDerWaalsContact O-CG 3.23Å; M133-R137 WeakPolarHBondContact O-CG 3.41Å; M133-R137 PolarHBondContact O-N 2.98Å; A134-R137 PolarHBondContact O-N 3.23Å; V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 3.08Å; R137-Q140 VanDerWaalsContact CZ-CD 3.45Å; R137-Q140 VanDerWaalsContact NH2-OE1 3.13Å; R137-Q140 PolarHBondContact O-N 2.85Å; R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.23Å; R137-L308 HydrophobicContact CB-CD1 3.82Å; R137-L308 HydrophobicContact CG-CD1 3.92Å; R137-L308 HydrophobicContact CG-CD2 4.2Å; R137-L308 HydrophobicContact CG-CG 4.33Å
138Y88.1Confident82.1Confident41 Ų4158.7 Ų58.716%0.16127%0.274CS..Hα-helixtrans-58.7-53177.7173.3-102.3000111.4A134 V135 D136 Q140 V141 V142 Y253 K256 L257 F260A134-Y138 PolarHBondContact O-N 2.91Å; V135-Y138 WeakPolarHBondContact O-CB 3.38Å; V135-Y138 PolarHBondContact O-N 3.31Å; V135-Y138 VanDerWaalsContact O-N 3.14Å; D136-Y138 PolarHBondContact O-N 2.53Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.29Å; Y138-V141 PolarHBondContact O-N 3.03Å; Y138-V141 VanDerWaalsContact O-N 3.08Å; Y138-V142 HydrophobicContact CD1-CG2 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.96Å; Y138-V142 HydrophobicContact CE1-CG2 4.07Å; Y138-V142 HydrophobicContact CE2-CG2 3.53Å; Y138-V142 HydrophobicContact CG-CG2 4.39Å; Y138-V142 WeakPolarHBondContact O-CG2 3.44Å; Y138-V142 PolarHBondContact O-N 2.99Å; Y138-Y253 AromaticContact CD1-CD1 3.96Å; Y138-Y253 HydrophobicContact CD1-CD1 3.96Å; Y138-Y253 AromaticContact CD1-CE1 3.89Å; Y138-Y253 HydrophobicContact CD1-CE1 3.89Å; Y138-Y253 AromaticContact CG-CD1 3.91Å; Y138-Y253 HydrophobicContact CG-CD1 3.91Å; Y138-Y253 HydrophobicContact CG-CE1 4.32Å; Y138-K256 HydrophobicContact CD2-CB 3.96Å; Y138-K256 HydrophobicContact CE2-CB 3.64Å; Y138-L257 HydrophobicContact CD2-CB 4.21Å; Y138-F260 HydrophobicContact CE2-CB 4.49Å
139Y87.9Confident81.4Confident110 Ų11061.7 Ų61.743%0.43129%0.294SS..Hα-helixtrans-67-31.1-177.9-75.8-67.8000113.5V135 D136 V141 N143 Y253V135-Y139 HydrophobicContact CG1-CD2 3.75Å; V135-Y139 HydrophobicContact CG1-CE2 3.69Å; V135-Y139 WeakPolarHBondContact O-CD2 3.33Å; V135-Y139 PolarHBondContact O-N 3.41Å; V135-Y139 VanDerWaalsContact O-N 3.09Å; D136-Y139 PolarHBondContact O-N 2.96Å; Y139-V141 VanDerWaalsContact C-N 3.26Å; Y139-V141 PolarHBondContact O-N 3.33Å; Y139-N143 WeakPolarHBondContact O-CB 3.31Å; Y139-N143 PolarHBondContact O-N 3.03Å; Y139-Y253 HydrophobicContact CE2-CE1 4.18Å
140Q82.9Confident80.8Confident47 Ų4764.6 Ų64.622%0.2232%0.318CS..Hα-helixtrans-64.3-31.6172.8-78.6-176.34100113.9D136 R137 Y138 I144 R153D136-Q140 WeakPolarHBondContact O-CB 3.33Å; D136-Q140 VanDerWaalsContact O-CG 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.28Å; D136-Q140 PolarHBondContact O-N 2.88Å; D136-Q140 PolarHBondContact OD1-NE2 2.64Å; D136-Q140 PolarHBondContact OD2-NE2 3.25Å; R137-Q140 VanDerWaalsContact CZ-CD 3.45Å; R137-Q140 VanDerWaalsContact NH2-OE1 3.13Å; R137-Q140 PolarHBondContact O-N 2.85Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.29Å; Q140-I144 WeakPolarHBondContact O-CG1 3.29Å; Q140-R153 VanDerWaalsContact CG-NH2 3.33Å
141V81.8Confident80.5Confident17 Ų1769.3 Ų69.310%0.10335%0.347CS..Hα-helixtrans-85.6-36.3-178.71720000110.9R137 Y138 Y139 I144 L257 F260 L261R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.23Å; Y138-V141 PolarHBondContact O-N 3.03Å; Y138-V141 VanDerWaalsContact O-N 3.08Å; Y139-V141 VanDerWaalsContact C-N 3.26Å; Y139-V141 PolarHBondContact O-N 3.33Å; V141-I144 VanDerWaalsContact O-CD1 3.31Å; V141-I144 WeakPolarHBondContact O-CD1 3.17Å; V141-I144 WeakPolarHBondContact O-CG1 3.4Å; V141-L257 HydrophobicContact CB-CD1 3.98Å; V141-L257 HydrophobicContact CG1-CD1 3.98Å; V141-L257 HydrophobicContact CG2-CD1 4.1Å; V141-F260 HydrophobicContact CG1-CD1 3.82Å; V141-F260 HydrophobicContact CG1-CE1 3.78Å; V141-F260 WeakPolarHBondContact O-CE1 3.5Å; V141-L261 HydrophobicContact CG1-CD2 3.69Å; V141-L261 HydrophobicContact CG1-CG 4.15Å
142V83.3Confident80.3Confident41 Ų4173.7 Ų73.725%0.24837%0.366CS..Hα-helixtrans-78.2-50.1180-1800000112Y138 I144 F260Y138-V142 HydrophobicContact CD1-CG2 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.96Å; Y138-V142 HydrophobicContact CE1-CG2 4.07Å; Y138-V142 HydrophobicContact CE2-CG2 3.53Å; Y138-V142 HydrophobicContact CG-CG2 4.39Å; Y138-V142 WeakPolarHBondContact O-CG2 3.44Å; Y138-V142 PolarHBondContact O-N 2.99Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.2Å; V142-F260 HydrophobicContact CB-CE1 4.16Å; V142-F260 HydrophobicContact CB-CE2 4.31Å; V142-F260 HydrophobicContact CB-CZ 3.97Å; V142-F260 HydrophobicContact CG1-CE2 3.97Å; V142-F260 HydrophobicContact CG1-CZ 4Å; V142-F260 HydrophobicContact CG2-CD1 3.69Å; V142-F260 HydrophobicContact CG2-CD2 3.9Å; V142-F260 HydrophobicContact CG2-CE1 3.66Å; V142-F260 HydrophobicContact CG2-CE2 3.9Å; V142-F260 HydrophobicContact CG2-CG 3.79Å; V142-F260 HydrophobicContact CG2-CZ 3.77Å
143N79.6Confident80.1Confident67 Ų6774.9 Ų74.936%0.35837%0.367SS..  trans-95.842.4-171.8-68.5-7.8000112.5Y139 R145 Q146Y139-N143 WeakPolarHBondContact O-CB 3.31Å; Y139-N143 PolarHBondContact O-N 3.03Å; N143-R145 PolarHBondContact O-N 3.16Å; N143-Q146 PolarHBondContact O-N 3.4Å; N143-Q146 VanDerWaalsContact O-N 3.15Å
144I69.5Low80Confident89 Ų8976.4 Ų76.446%0.45637%0.374SS..G310 helixtrans-54-29.7178.2-67.3168000111.6Q140 V141 V142 Q147Q140-I144 WeakPolarHBondContact O-CG1 3.29Å; V141-I144 VanDerWaalsContact O-CD1 3.31Å; V141-I144 WeakPolarHBondContact O-CD1 3.17Å; V141-I144 WeakPolarHBondContact O-CG1 3.4Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.2Å; I144-Q147 WeakPolarHBondContact O-CG 3.31Å; I144-Q147 PolarHBondContact O-NE2 3.32Å; I144-Q147 PolarHBondContact O-OE1 2.89Å
145R56.1Low80.2Confident247 Ų24783 Ų8393%0.93240%0.402SS*.G310 helixtrans-85-19.6-174.6-154.7176.3166.2-169-5.5114.4N143N143-R145 PolarHBondContact O-N 3.16Å
146Q59.1Low80.2Confident149 Ų14985 Ų8570%0.69641%0.411SS*.G310 helixtrans-10437.9177.6-72180-26.100111.3N143 L148N143-Q146 PolarHBondContact O-N 3.4Å; N143-Q146 VanDerWaalsContact O-N 3.15Å; Q146-L148 PolarHBondContact O-N 3.09Å
147Q60.6Low80.4Confident129 Ų12983.8 Ų83.860%0.60341%0.405SS*.  trans-65.497.5-177.5-82.7168.8-8.400110.4I144I144-Q147 WeakPolarHBondContact O-CG 3.31Å; I144-Q147 PolarHBondContact O-NE2 3.32Å; I144-Q147 PolarHBondContact O-OE1 2.89Å
148L66.6Low80.8Confident87 Ų8786.5 Ų86.546%0.45542%0.422SS..  trans-39.4143.2159.7-76.7151.4000109.7Q146 A150 Q152 R153 I156Q146-L148 PolarHBondContact O-N 3.09Å; L148-A150 PolarHBondContact O-N 3.42Å; L148-Q152 HydrophobicContact CD2-CB 4.4Å; L148-Q152 VanDerWaalsContact CD2-OE1 3.29Å; L148-R153 HydrophobicContact CB-CG 3.54Å; L148-R153 HydrophobicContact CD1-CG 4.36Å; L148-R153 WeakPolarHBondContact O-CD 3.23Å; L148-I156 HydrophobicContact CD1-CD1 4.16Å
149V78.3Confident81.3Confident94 Ų9488.7 Ų88.757%0.5744%0.436SS*.  trans-54.9141.1177.9-174.40000108.8T151 Q152 R153V149-T151 WeakPolarHBondContact CG1-OG1 3.38Å; V149-T151 PolarHBondContact O-N 3.4Å; V149-T151 VanDerWaalsContact O-N 3.08Å; V149-Q152 WeakPolarHBondContact O-CB 3.41Å; V149-Q152 PolarHBondContact O-N 2.75Å; V149-R153 PolarHBondContact O-N 2.95Å
150A80.4Confident81.7Confident61 Ų6185.4 Ų85.450%0.50443%0.427SS..Hα-helixtrans-51.9-39.6-17300000112.5L148 R153 H154L148-A150 PolarHBondContact O-N 3.42Å; A150-R153 PolarHBondContact O-N 3.47Å; A150-H154 PolarHBondContact O-N 2.9Å; A150-H154 VanDerWaalsContact O-N 3.08Å; A150-H154 PolarHBondContact O-ND1 2.83Å
151T84Confident82.4Confident102 Ų10283.4 Ų83.463%0.62642%0.419SS*.Hα-helixtrans-59.6-47.4176.343.50000113V149 R153 H154 F155V149-T151 WeakPolarHBondContact CG1-OG1 3.38Å; V149-T151 PolarHBondContact O-N 3.4Å; V149-T151 VanDerWaalsContact O-N 3.08Å; T151-R153 VanDerWaalsContact C-N 3.3Å; T151-R153 PolarHBondContact O-N 3.28Å; T151-H154 PolarHBondContact O-N 3.49Å; T151-F155 PolarHBondContact O-N 3.22Å
152Q87.5Confident83.1Confident99 Ų9984.2 Ų84.246%0.46343%0.431SS..Hα-helixtrans-60.4-40.7177.2-69.6177.2-3000111.7L148 V149 H154 F155 I156L148-Q152 HydrophobicContact CD2-CB 4.4Å; L148-Q152 VanDerWaalsContact CD2-OE1 3.29Å; V149-Q152 WeakPolarHBondContact O-CB 3.41Å; V149-Q152 PolarHBondContact O-N 2.75Å; Q152-H154 PolarHBondContact O-N 2.97Å; Q152-F155 PolarHBondContact O-N 3.28Å; Q152-I156 VanDerWaalsContact O-CG1 3.3Å; Q152-I156 WeakPolarHBondContact O-CG1 3.4Å; Q152-I156 PolarHBondContact O-N 3.18Å
153R87.7Confident83.8Confident63 Ų6386.9 Ų86.924%0.23844%0.443CS..Hα-helixtrans-65.8-38.6178.1-65.6-176.759-149.6-10.8112.8A73 Q140 L148 V149 A150 T151 A157A73-R153 HydrophobicContact CB-CB 4Å; Q140-R153 VanDerWaalsContact CG-NH2 3.33Å; L148-R153 HydrophobicContact CB-CG 3.54Å; L148-R153 HydrophobicContact CD1-CG 4.36Å; L148-R153 WeakPolarHBondContact O-CD 3.23Å; V149-R153 PolarHBondContact O-N 2.95Å; A150-R153 PolarHBondContact O-N 3.47Å; T151-R153 VanDerWaalsContact C-N 3.3Å; T151-R153 PolarHBondContact O-N 3.28Å; R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 3.31Å
154H89.3Confident84.5Confident47 Ų4784.2 Ų84.222%0.21843%0.429CS..Hα-helixtrans-64.4-45174.2-75.694000111.2R71 R72 A73 A150 T151 Q152 A157 I158R71-H154 PolarHBondContact O-CE1 3.43Å; R71-H154 PolarHBondContact O-NE2 2.92Å; R72-H154 WeakPolarHBondContact CA-NE2 3.43Å; A73-H154 PolarHBondContact N-NE2 2.9Å; A73-H154 VanDerWaalsContact N-NE2 3.1Å; A150-H154 PolarHBondContact O-N 2.9Å; A150-H154 VanDerWaalsContact O-N 3.08Å; A150-H154 PolarHBondContact O-ND1 2.83Å; T151-H154 PolarHBondContact O-N 3.49Å; Q152-H154 PolarHBondContact O-N 2.97Å; H154-A157 PolarHBondContact O-N 2.71Å; H154-I158 WeakPolarHBondContact O-CG1 3.43Å; H154-I158 PolarHBondContact O-N 2.96Å
155F92.8Very high85.8Confident138 Ų13881.9 Ų81.961%0.60542%0.415SS*.Hα-helixtrans-59.3-48.9177.3-179.8-100.2000111.9T151 Q152 A157 I158 L159T151-F155 PolarHBondContact O-N 3.22Å; Q152-F155 PolarHBondContact O-N 3.28Å; F155-A157 VanDerWaalsContact C-N 3.32Å; F155-A157 PolarHBondContact O-N 3.22Å; F155-I158 PolarHBondContact O-N 3.07Å; F155-L159 HydrophobicContact CE1-CD1 4.23Å; F155-L159 HydrophobicContact CZ-CD1 4.44Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 PolarHBondContact O-N 3.47Å
156I92.9Very high87.6Confident80 Ų8075.9 Ų75.941%0.4140%0.4SS..Hα-helixtrans-58.8-43.7176.2-67.8163.4000110.9L148 Q152 I158 L159 V160L148-I156 HydrophobicContact CD1-CD1 4.16Å; Q152-I156 VanDerWaalsContact O-CG1 3.3Å; Q152-I156 WeakPolarHBondContact O-CG1 3.4Å; Q152-I156 PolarHBondContact O-N 3.18Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 3.07Å; I156-L159 PolarHBondContact O-N 3.36Å; I156-V160 HydrophobicContact CG2-CG2 4.23Å; I156-V160 WeakPolarHBondContact O-CB 3.48Å; I156-V160 VanDerWaalsContact O-CG2 3.27Å; I156-V160 WeakPolarHBondContact O-CG2 3.44Å; I156-V160 PolarHBondContact O-N 3.26Å
157A94.1Very high89.3Confident4 Ų473.5 Ų73.53%0.03339%0.388CS..Hα-helixtrans-63.4-39.217900000112.6A73 V76 F77 R153 H154 F155 A161A73-A157 HydrophobicContact CB-CB 4.19Å; V76-A157 HydrophobicContact CB-CB 4Å; V76-A157 HydrophobicContact CG1-CB 4.18Å; V76-A157 HydrophobicContact CG2-CB 4.18Å; F77-A157 HydrophobicContact CE1-CB 4.42Å; F77-A157 HydrophobicContact CE2-CB 4.09Å; F77-A157 HydrophobicContact CZ-CB 3.86Å; R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 3.31Å; H154-A157 PolarHBondContact O-N 2.71Å; F155-A157 VanDerWaalsContact C-N 3.32Å; F155-A157 PolarHBondContact O-N 3.22Å; A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 3.06Å
158I95.4Very high90.9Very high104 Ų10467.3 Ų67.353%0.53336%0.359SS..Hα-helixtrans-66-45175.7-68.1166000110.5V76 H154 F155 I156 A161 G162V76-I158 HydrophobicContact CG1-CG1 4.04Å; V76-I158 HydrophobicContact CG2-CG1 4.26Å; H154-I158 WeakPolarHBondContact O-CG1 3.43Å; H154-I158 PolarHBondContact O-N 2.96Å; F155-I158 PolarHBondContact O-N 3.07Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 3.07Å; I158-A161 PolarHBondContact O-N 3.43Å; I158-G162 PolarHBondContact O-N 3.18Å
159L97.1Very high92.1Very high88 Ų8868.4 Ų68.446%0.46136%0.36SS..Hα-helixtrans-60.7-47177.7-177.6147000111.2F155 I156 A161 G162 L163F155-L159 HydrophobicContact CE1-CD1 4.23Å; F155-L159 HydrophobicContact CZ-CD1 4.44Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 PolarHBondContact O-N 3.47Å; I156-L159 PolarHBondContact O-N 3.36Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.97Å; L159-G162 PolarHBondContact O-N 3.23Å; L159-L163 HydrophobicContact CD2-CD1 3.62Å; L159-L163 HydrophobicContact CD2-CG 4.23Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 3.31Å
160V97Very high92.7Very high40 Ų4066.6 Ų66.624%0.24236%0.355CS..Hα-helixtrans-62.4-41.7176.9173.30000111.2F77 V132 I156 G162 L163 I164F77-V160 HydrophobicContact CE1-CB 4.21Å; F77-V160 HydrophobicContact CE1-CG1 3.96Å; F77-V160 HydrophobicContact CZ-CB 4.46Å; F77-V160 HydrophobicContact CZ-CG1 4.35Å; V132-V160 HydrophobicContact CG1-CG1 3.83Å; V132-V160 HydrophobicContact CG2-CG1 4.21Å; I156-V160 HydrophobicContact CG2-CG2 4.23Å; I156-V160 WeakPolarHBondContact O-CB 3.48Å; I156-V160 VanDerWaalsContact O-CG2 3.27Å; I156-V160 WeakPolarHBondContact O-CG2 3.44Å; I156-V160 PolarHBondContact O-N 3.26Å; V160-G162 VanDerWaalsContact C-N 3.35Å; V160-G162 PolarHBondContact O-N 2.77Å; V160-L163 PolarHBondContact O-N 3.18Å; V160-I164 HydrophobicContact CG1-CD1 4.19Å; V160-I164 VanDerWaalsContact O-CG1 3.3Å; V160-I164 WeakPolarHBondContact O-CG1 3.46Å; V160-I164 PolarHBondContact O-N 3.35Å
161A96.6Very high93.2Very high6 Ų665 Ų655%0.0534%0.338CS..Hα-helixtrans-60.3-43.6174.600000111.9V76 N80 A157 I158 L159 L163 I164 W165V76-A161 HydrophobicContact CG1-CB 4.28Å; N80-A161 HydrophobicContact CB-CB 4.33Å; A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 3.06Å; I158-A161 PolarHBondContact O-N 3.43Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.97Å; A161-L163 PolarHBondContact O-N 2.89Å; A161-I164 WeakPolarHBondContact O-CB 3.31Å; A161-I164 PolarHBondContact O-N 2.99Å; A161-W165 VanDerWaalsContact O-CD1 3.22Å; A161-W165 PolarHBondContact O-N 3.15Å
162G96.9Very high93.6Very high34 Ų3460.4 Ų60.435%0.35131%0.31SS..Hα-helixtrans-60.6-42.5174.400000113.1I158 L159 V160 I164 W165 L166I158-G162 PolarHBondContact O-N 3.18Å; L159-G162 PolarHBondContact O-N 3.23Å; V160-G162 VanDerWaalsContact C-N 3.35Å; V160-G162 PolarHBondContact O-N 2.77Å; G162-I164 VanDerWaalsContact C-N 3.33Å; G162-I164 PolarHBondContact O-N 3.22Å; G162-W165 PolarHBondContact O-N 3.18Å; G162-L166 PolarHBondContact O-N 3.17Å; G162-L166 VanDerWaalsContact O-N 3.12Å
163L97.4Very high93.7Very high97 Ų9759.4 Ų59.451%0.50831%0.307SS..Hα-helixtrans-64.4-36.4175.5-70177.3000112.6L159 V160 A161 W165 L166 F167L159-L163 HydrophobicContact CD2-CD1 3.62Å; L159-L163 HydrophobicContact CD2-CG 4.23Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 3.31Å; V160-L163 PolarHBondContact O-N 3.18Å; A161-L163 PolarHBondContact O-N 2.89Å; L163-W165 VanDerWaalsContact C-N 3.33Å; L163-W165 PolarHBondContact O-N 3.38Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-F167 WeakPolarHBondContact O-CB 3.3Å; L163-F167 PolarHBondContact O-N 3.15Å
164I96.2Very high93.9Very high11 Ų1158.2 Ų58.26%0.05631%0.308CS..Hα-helixtrans-59.4-45.4174.5-71.5166.5000110.3C125 L128 V132 V160 A161 G162 F167 A168C125-I164 HydrophobicContact CB-CG2 4.27Å; L128-I164 HydrophobicContact CB-CG1 4.27Å; L128-I164 HydrophobicContact CB-CG2 3.8Å; L128-I164 HydrophobicContact CD1-CG2 4.22Å; V132-I164 HydrophobicContact CB-CD1 4.36Å; V132-I164 HydrophobicContact CG2-CD1 4.03Å; V160-I164 HydrophobicContact CG1-CD1 4.19Å; V160-I164 VanDerWaalsContact O-CG1 3.3Å; V160-I164 WeakPolarHBondContact O-CG1 3.46Å; V160-I164 PolarHBondContact O-N 3.35Å; A161-I164 WeakPolarHBondContact O-CB 3.31Å; A161-I164 PolarHBondContact O-N 2.99Å; G162-I164 VanDerWaalsContact C-N 3.33Å; G162-I164 PolarHBondContact O-N 3.22Å; I164-F167 PolarHBondContact O-N 3.09Å; I164-A168 WeakPolarHBondContact O-CB 3.29Å; I164-A168 PolarHBondContact O-N 3.03Å
165W95.8Very high93.9Very high40 Ų4057 Ų5715%0.15230%0.301CS..Hα-helixtrans-60.7-49.7176.8-78.9101.1000111.9N80 L83 L87 N122 C125 A161 G162 L163 F167 A168 F169N80-W165 PolarHBondContact OD1-NE1 3.45Å; L83-W165 HydrophobicContact CD2-CZ2 4.19Å; L83-W165 HydrophobicContact CG-CZ2 4.25Å; L87-W165 HydrophobicContact CD1-CH2 3.74Å; L87-W165 HydrophobicContact CD1-CZ2 4.46Å; L87-W165 HydrophobicContact CD1-CZ3 4.41Å; N122-W165 WeakPolarHBondContact OD1-CH2 3.34Å; N122-W165 WeakPolarHBondContact OD1-CZ3 3.35Å; C125-W165 HydrophobicContact CB-CE3 4.4Å; C125-W165 HydrophobicContact CB-CZ3 4.4Å; A161-W165 VanDerWaalsContact O-CD1 3.22Å; A161-W165 PolarHBondContact O-N 3.15Å; G162-W165 PolarHBondContact O-N 3.18Å; L163-W165 VanDerWaalsContact C-N 3.33Å; L163-W165 PolarHBondContact O-N 3.38Å; W165-F167 VanDerWaalsContact C-N 3.32Å; W165-F167 PolarHBondContact O-N 3.02Å; W165-A168 PolarHBondContact O-N 3.02Å; W165-F169 HydrophobicContact CE3-CD2 4.34Å; W165-F169 AromaticContact CE3-CE2 3.59Å; W165-F169 HydrophobicContact CE3-CE2 3.59Å; W165-F169 HydrophobicContact CE3-CZ 4.1Å; W165-F169 HydrophobicContact CZ3-CE2 4.26Å; W165-F169 HydrophobicContact CZ3-CZ 4.32Å; W165-F169 WeakPolarHBondContact O-CD2 3.26Å; W165-F169 PolarHBondContact O-N 3.17Å
166L95Very high93.8Very high121 Ų12152.7 Ų52.763%0.63428%0.284SS*.Hα-helixtrans-57.5-46.1179.1-68.9172.6000111.6G162 L163 F169 A170G162-L166 PolarHBondContact O-N 3.17Å; G162-L166 VanDerWaalsContact O-N 3.12Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 PolarHBondContact O-N 2.93Å; L166-F169 PolarHBondContact O-N 3.43Å; L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 3.28Å
167F93.8Very high93.8Very high98 Ų9853.3 Ų53.343%0.4329%0.288SS..Hα-helixtrans-67.9-40.2179.5-168.4-114.5000112.3L128 L163 I164 W165 A170 L171 F241L128-F167 HydrophobicContact CD1-CD1 3.77Å; L128-F167 HydrophobicContact CD1-CE1 4.49Å; L163-F167 WeakPolarHBondContact O-CB 3.3Å; L163-F167 PolarHBondContact O-N 3.15Å; I164-F167 PolarHBondContact O-N 3.09Å; W165-F167 VanDerWaalsContact C-N 3.32Å; W165-F167 PolarHBondContact O-N 3.02Å; F167-A170 PolarHBondContact O-N 3.05Å; F167-L171 HydrophobicContact CD1-CD1 3.86Å; F167-L171 HydrophobicContact CD1-CG 4.43Å; F167-L171 HydrophobicContact CE1-CD1 3.56Å; F167-L171 HydrophobicContact CE1-CG 4.18Å; F167-L171 HydrophobicContact CZ-CD1 4.11Å; F167-L171 HydrophobicContact CZ-CD2 4.31Å; F167-L171 HydrophobicContact CZ-CG 4.29Å; F167-L171 WeakPolarHBondContact O-CG 3.05Å; F167-L171 PolarHBondContact O-N 2.93Å; F167-F241 HydrophobicContact CE1-CD1 4.33Å; F167-F241 HydrophobicContact CZ-CD1 4.28Å; F167-F241 HydrophobicContact CZ-CE1 4.14Å
168A93.9Very high93.8Very high0 Ų054.5 Ų54.50%029%0.294CS..Hα-helixtrans-63.3-41.8175.800000112.4S121 C125 I164 W165 L171 S172S121-A168 WeakPolarHBondContact O-CB 3.36Å; C125-A168 HydrophobicContact CB-CB 4.11Å; I164-A168 WeakPolarHBondContact O-CB 3.29Å; I164-A168 PolarHBondContact O-N 3.03Å; W165-A168 PolarHBondContact O-N 3.02Å; A168-L171 PolarHBondContact O-N 3.39Å; A168-S172 PolarHBondContact O-N 2.96Å; A168-S172 VanDerWaalsContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.63Å
169F91.6Very high93.7Very high109 Ų10951.4 Ų51.448%0.47828%0.276SS..Hα-helixtrans-63.6-44.3173.1-81.1-63.4000111.6W165 L166 L171 S172 L173W165-F169 HydrophobicContact CE3-CD2 4.34Å; W165-F169 AromaticContact CE3-CE2 3.59Å; W165-F169 HydrophobicContact CE3-CE2 3.59Å; W165-F169 HydrophobicContact CE3-CZ 4.1Å; W165-F169 HydrophobicContact CZ3-CE2 4.26Å; W165-F169 HydrophobicContact CZ3-CZ 4.32Å; W165-F169 WeakPolarHBondContact O-CD2 3.26Å; W165-F169 PolarHBondContact O-N 3.17Å; L166-F169 PolarHBondContact O-N 3.43Å; F169-L171 VanDerWaalsContact C-N 3.32Å; F169-L171 PolarHBondContact O-N 2.83Å; F169-S172 WeakPolarHBondContact CA-OG 3.16Å; F169-S172 CarbonylContact O-C 3.58Å; F169-S172 PolarHBondContact O-N 3.45Å; F169-S172 VanDerWaalsContact O-N 3.09Å; F169-S172 PolarHBondContact O-OG 3.48Å; F169-L173 PolarHBondContact O-N 2.92Å
170A92.2Very high93.5Very high56 Ų5649.4 Ų49.446%0.46327%0.265SS..Hα-helixtrans-58.8-42.2176.400000112.3L166 F167 S172 L173L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 3.28Å; F167-A170 PolarHBondContact O-N 3.05Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.46Å; A170-L173 VanDerWaalsContact O-CB 3.24Å; A170-L173 WeakPolarHBondContact O-CB 3.37Å; A170-L173 PolarHBondContact O-N 3.21Å
171L90.7Very high93.3Very high29 Ų2949.8 Ų49.815%0.15227%0.266CS..Hα-helixtrans-66.9-29.3175.8-70.7174.5000113.3Y124 F167 A168 F169 P174 F241Y124-L171 HydrophobicContact CD1-CB 4.42Å; Y124-L171 HydrophobicContact CD1-CD1 3.68Å; Y124-L171 HydrophobicContact CD2-CB 3.75Å; Y124-L171 HydrophobicContact CD2-CD1 4.42Å; Y124-L171 HydrophobicContact CE1-CB 4.23Å; Y124-L171 HydrophobicContact CE1-CD1 3.79Å; Y124-L171 HydrophobicContact CE2-CB 3.58Å; Y124-L171 HydrophobicContact CG-CB 4.22Å; Y124-L171 HydrophobicContact CG-CD1 4.05Å; F167-L171 HydrophobicContact CD1-CD1 3.86Å; F167-L171 HydrophobicContact CD1-CG 4.43Å; F167-L171 HydrophobicContact CE1-CD1 3.56Å; F167-L171 HydrophobicContact CE1-CG 4.18Å; F167-L171 HydrophobicContact CZ-CD1 4.11Å; F167-L171 HydrophobicContact CZ-CD2 4.31Å; F167-L171 HydrophobicContact CZ-CG 4.29Å; F167-L171 WeakPolarHBondContact O-CG 3.05Å; F167-L171 PolarHBondContact O-N 2.93Å; A168-L171 PolarHBondContact O-N 3.39Å; F169-L171 VanDerWaalsContact C-N 3.32Å; F169-L171 PolarHBondContact O-N 2.83Å; L171-P174 WeakPolarHBondContact O-CD 3.35Å; L171-F241 HydrophobicContact CD1-CB 3.9Å; L171-F241 HydrophobicContact CD1-CD1 4.29Å; L171-F241 HydrophobicContact CD1-CG 4.2Å; L171-F241 HydrophobicContact CD2-CB 4.31Å; L171-F241 HydrophobicContact CD2-CD1 4.24Å; L171-F241 HydrophobicContact CD2-CD2 4.09Å; L171-F241 HydrophobicContact CD2-CE2 4.5Å; L171-F241 HydrophobicContact CD2-CG 3.96Å
172S91.3Very high93Very high5 Ų554 Ų544%0.03528%0.283CS..Hα-helixtrans-83.2-10.7174.867.90000114.4A117 A168 F169 A170 P174 Y175 L176A117-S172 VanDerWaalsContact O-CB 3.3Å; A117-S172 WeakPolarHBondContact O-CB 3.42Å; A168-S172 PolarHBondContact O-N 2.96Å; A168-S172 VanDerWaalsContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.63Å; F169-S172 WeakPolarHBondContact CA-OG 3.16Å; F169-S172 CarbonylContact O-C 3.58Å; F169-S172 PolarHBondContact O-N 3.45Å; F169-S172 VanDerWaalsContact O-N 3.09Å; F169-S172 PolarHBondContact O-OG 3.48Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.46Å; S172-P174 VanDerWaalsContact C-CD 3.42Å; S172-Y175 WeakPolarHBondContact O-CB 3.49Å; S172-Y175 PolarHBondContact O-N 3.21Å; S172-Y175 VanDerWaalsContact O-N 3.07Å; S172-L176 PolarHBondContact O-N 3.29Å
173L90.5Very high92.8Very high78 Ų7854.9 Ų54.941%0.40828%0.282SS..Hα-helixtrans-58.1-37.5-175.6-171.462.7000114F169 A170 Y175 L176 L177F169-L173 PolarHBondContact O-N 2.92Å; A170-L173 VanDerWaalsContact O-CB 3.24Å; A170-L173 WeakPolarHBondContact O-CB 3.37Å; A170-L173 PolarHBondContact O-N 3.21Å; L173-Y175 PolarHBondContact O-N 3.38Å; L173-L176 HydrophobicContact CD1-CB 4.43Å; L173-L176 HydrophobicContact CD1-CD2 4.11Å; L173-L176 WeakPolarHBondContact O-CB 3.19Å; L173-L176 PolarHBondContact O-N 3.46Å; L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CD2 4.4Å; L173-L177 HydrophobicContact CD1-CG 4.04Å; L173-L177 HydrophobicContact CD2-CD1 4.25Å; L173-L177 HydrophobicContact CG-CD1 3.8Å; L173-L177 HydrophobicContact CG-CG 4.09Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.24Å
174P90.9Very high92.4Very high38 Ų3852.1 Ų52.125%0.24727%0.269CS..Hα-helixtrans-56.7-35.9174.9-26.736.3000113.4L171 S172 N178 V234L171-P174 WeakPolarHBondContact O-CD 3.35Å; S172-P174 VanDerWaalsContact C-CD 3.42Å; P174-N178 WeakPolarHBondContact O-CB 3.18Å; P174-N178 PolarHBondContact O-N 3.24Å; P174-N178 PolarHBondContact O-ND2 3.21Å; P174-V234 HydrophobicContact CB-CG2 3.93Å
175Y89.8Confident92.2Very high20 Ų2057.4 Ų57.48%0.07829%0.289CS..Hα-helixtrans-66.9-43175.4-74.5-86.2000111.4N116 S172 L173 L177 Y179 V234 Q238N116-Y175 HydrophobicContact CB-CD1 4.4Å; S172-Y175 WeakPolarHBondContact O-CB 3.49Å; S172-Y175 PolarHBondContact O-N 3.21Å; S172-Y175 VanDerWaalsContact O-N 3.07Å; L173-Y175 PolarHBondContact O-N 3.38Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.47Å; Y175-Y179 AromaticContact CD1-CD2 3.93Å; Y175-Y179 HydrophobicContact CD1-CD2 3.93Å; Y175-Y179 AromaticContact CD1-CE2 3.27Å; Y175-Y179 HydrophobicContact CD1-CE2 3.27Å; Y175-Y179 AromaticContact CE1-CE2 3.75Å; Y175-Y179 HydrophobicContact CE1-CE2 3.75Å; Y175-Y179 HydrophobicContact CG-CE2 4.33Å; Y175-Y179 WeakPolarHBondContact O-CB 3.38Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.22Å; Y175-Y179 PolarHBondContact O-N 2.92Å; Y175-V234 HydrophobicContact CD2-CG1 4.01Å; Y175-V234 HydrophobicContact CE1-CG1 4.1Å; Y175-V234 HydrophobicContact CE2-CG1 3.2Å; Y175-V234 WeakPolarHBondContact OH-CG1 3.44Å; Y175-Q238 HydrophobicContact CE2-CG 4.09Å; Y175-Q238 PolarHBondContact OH-NE2 2.87Å; Y175-Q238 PolarHBondContact OH-OE1 2.93Å
176L92Very high91.9Very high48 Ų4857 Ų5725%0.25129%0.288SS..Hα-helixtrans-64.5-36.1-179.1-167.373.1000112.1R113 F114 A117 S172 L173R113-L176 HydrophobicContact CB-CD1 4.01Å; R113-L176 VanDerWaalsContact CD-O 3.23Å; R113-L176 WeakPolarHBondContact CD-O 3.23Å; R113-L176 WeakPolarHBondContact CG-O 3.49Å; F114-L176 HydrophobicContact CD2-CD1 4.05Å; F114-L176 HydrophobicContact CE2-CD1 4.06Å; F114-L176 HydrophobicContact CG-CD1 4.33Å; F114-L176 HydrophobicContact CZ-CD1 4.37Å; A117-L176 HydrophobicContact CB-CB 3.77Å; A117-L176 HydrophobicContact CB-CD1 3.86Å; A117-L176 HydrophobicContact CB-CG 4.42Å; S172-L176 PolarHBondContact O-N 3.29Å; L173-L176 HydrophobicContact CD1-CB 4.43Å; L173-L176 HydrophobicContact CD1-CD2 4.11Å; L173-L176 WeakPolarHBondContact O-CB 3.19Å; L173-L176 PolarHBondContact O-N 3.46Å
177L92.1Very high91.7Very high93 Ų9354.7 Ų54.749%0.48728%0.28SS..Hα-helixtrans-86.7-33.3-176.2-63.3179.5000113.5L173 Y175L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CD2 4.4Å; L173-L177 HydrophobicContact CD1-CG 4.04Å; L173-L177 HydrophobicContact CD2-CD1 4.25Å; L173-L177 HydrophobicContact CG-CD1 3.8Å; L173-L177 HydrophobicContact CG-CG 4.09Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.24Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.47Å
178N93.2Very high91.4Very high29 Ų2952.4 Ų52.416%0.15527%0.272CS..Hα-helixtrans-101.8-6.6-171.3-62.3-50.2000114.1P174 L208 R209 P210P174-N178 WeakPolarHBondContact O-CB 3.18Å; P174-N178 PolarHBondContact O-N 3.24Å; P174-N178 PolarHBondContact O-ND2 3.21Å; N178-L208 HydrophobicContact CB-CD1 3.5Å; N178-L208 HydrophobicContact CB-CG 4.47Å; N178-L208 CarbonylContact O-C 3.46Å; N178-R209 CarbonylContact O-C 3.58Å; N178-R209 WeakPolarHBondContact O-CA 3.3Å; N178-R209 PolarHBondContact O-N 3Å; N178-P210 HydrophobicContact CB-CB 4.19Å; N178-P210 HydrophobicContact CB-CG 4.19Å
179Y93.3Very high91.2Very high39 Ų3959.5 Ų59.515%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-83137.1171.5-89.6-106.3000111.4R113 N116 Y175 A207 L208R113-Y179 VanDerWaalsContact CG-O 3.24Å; R113-Y179 WeakPolarHBondContact CG-O 3.48Å; R113-Y179 PolarHBondContact NE-O 3.46Å; N116-Y179 HydrophobicContact CB-CD1 3.94Å; N116-Y179 HydrophobicContact CB-CD2 4.13Å; N116-Y179 HydrophobicContact CB-CE1 3.9Å; N116-Y179 HydrophobicContact CB-CE2 4.13Å; N116-Y179 HydrophobicContact CB-CG 4.02Å; N116-Y179 WeakPolarHBondContact ND2-CD1 3.15Å; N116-Y179 WeakPolarHBondContact ND2-CE1 3.46Å; N116-Y179 WeakPolarHBondContact OD1-CE1 3.41Å; Y175-Y179 AromaticContact CD1-CD2 3.93Å; Y175-Y179 HydrophobicContact CD1-CD2 3.93Å; Y175-Y179 AromaticContact CD1-CE2 3.27Å; Y175-Y179 HydrophobicContact CD1-CE2 3.27Å; Y175-Y179 AromaticContact CE1-CE2 3.75Å; Y175-Y179 HydrophobicContact CE1-CE2 3.75Å; Y175-Y179 HydrophobicContact CG-CE2 4.33Å; Y175-Y179 WeakPolarHBondContact O-CB 3.38Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.22Å; Y175-Y179 PolarHBondContact O-N 2.92Å; Y179-A207 WeakPolarHBondContact CA-O 3.5Å; Y179-L208 HydrophobicContact CD2-CB 4.38Å; Y179-L208 HydrophobicContact CD2-CD1 3.64Å; Y179-L208 HydrophobicContact CE2-CB 3.96Å; Y179-L208 HydrophobicContact CE2-CD1 3.54Å; Y179-L208 HydrophobicContact CE2-CG 4.34Å
180D94.4Very high90.9Very high46 Ų4660 Ų6025%0.24631%0.305CS..EExtended strand (participates in β ladder)trans-145166.2177.8-145.6-18.2000112.2L109 A207 R209L109-D180 WeakPolarHBondContact CD1-OD1 3.47Å; D180-A207 PolarHBondContact N-O 3.36Å; D180-A207 PolarHBondContact O-N 3.27Å; D180-R209 HydrophobicContact CB-CB 3.92Å
181L92.8Very high90.7Very high48 Ų4857.4 Ų57.425%0.25128%0.283SS..EExtended strand (participates in β ladder)trans-80.3121.8171.5-63.3179.7000109.6F105 L109 C112 T204 S205F105-L181 HydrophobicContact CD1-CD2 3.62Å; F105-L181 HydrophobicContact CE1-CD2 3.96Å; L109-L181 HydrophobicContact CB-CD1 4.09Å; L109-L181 HydrophobicContact CB-CG 4.32Å; L109-L181 HydrophobicContact CD1-CG 4.28Å; C112-L181 HydrophobicContact CB-CD2 3.77Å; L181-T204 HydrophobicContact CB-CG2 4.03Å; L181-T204 HydrophobicContact CD1-CG2 4.47Å; L181-T204 HydrophobicContact CD2-CG2 4Å; L181-T204 HydrophobicContact CG-CG2 4.39Å; L181-S205 CarbonylContact C-O 3.52Å; L181-S205 WeakPolarHBondContact CA-O 3.2Å
182K90.5Very high90.6Very high96 Ų9661 Ų6142%0.41730%0.299SS..EExtended strand (participates in β ladder)trans-101.8111.9168.6-179.5-178.4-178.7-177.90108.8V184 S205K182-V184 HydrophobicContact CG-CG2 4.48Å; K182-S205 PolarHBondContact N-O 3.16Å; K182-S205 PolarHBondContact O-N 2.96Å; K182-S205 PolarHBondContact O-OG 3.39Å
183V91Very high90.5Very high52 Ų5269.1 Ų69.132%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-85124.7172.9-171.60000108.4Y185 V201 T204V183-Y185 HydrophobicContact CB-CD2 4.48Å; V183-Y185 HydrophobicContact CB-CE2 3.69Å; V183-Y185 HydrophobicContact CG1-CD2 4.18Å; V183-Y185 HydrophobicContact CG1-CE1 4.06Å; V183-Y185 HydrophobicContact CG1-CE2 3.54Å; V183-Y185 VanDerWaalsContact CG1-CZ 3.47Å; V183-V201 HydrophobicContact CG1-CB 4.15Å; V183-V201 HydrophobicContact CG1-CG1 3.49Å; V183-V201 VanDerWaalsContact CG1-CG1 3.49Å; V183-V201 HydrophobicContact CG1-CG2 3.66Å; V183-T204 HydrophobicContact CG2-CG2 4.43Å
184V90.2Very high90.4Very high38 Ų3868.8 Ų68.823%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-101.3121.9177.9-1790000108.5K182 L202 F203K182-V184 HydrophobicContact CG-CG2 4.48Å; V184-L202 HydrophobicContact CG1-CD1 4.43Å; V184-L202 WeakPolarHBondContact O-CB 3.27Å; V184-L202 PolarHBondContact O-N 3.2Å; V184-F203 HydrophobicContact CB-CD1 4.25Å; V184-F203 HydrophobicContact CB-CD2 4.27Å; V184-F203 HydrophobicContact CB-CE1 3.92Å; V184-F203 HydrophobicContact CB-CE2 3.95Å; V184-F203 HydrophobicContact CB-CG 4.41Å; V184-F203 HydrophobicContact CB-CZ 3.77Å; V184-F203 HydrophobicContact CG1-CD1 4.49Å; V184-F203 HydrophobicContact CG1-CE1 3.83Å; V184-F203 HydrophobicContact CG1-CZ 3.86Å; V184-F203 HydrophobicContact CG2-CD2 4.13Å; V184-F203 HydrophobicContact CG2-CE1 4.29Å; V184-F203 HydrophobicContact CG2-CE2 3.51Å; V184-F203 HydrophobicContact CG2-CZ 3.61Å; V184-F203 PolarHBondContact N-O 3.27Å
185Y91.3Very high90.2Very high123 Ų12374.6 Ų74.648%0.48235%0.354SS..EExtended strand (participates in β ladder)trans-102.9148.8-178.6-63-93000111V183 I200 V201V183-Y185 HydrophobicContact CB-CD2 4.48Å; V183-Y185 HydrophobicContact CB-CE2 3.69Å; V183-Y185 HydrophobicContact CG1-CD2 4.18Å; V183-Y185 HydrophobicContact CG1-CE1 4.06Å; V183-Y185 HydrophobicContact CG1-CE2 3.54Å; V183-Y185 VanDerWaalsContact CG1-CZ 3.47Å; Y185-I200 CarbonylContact C-O 3.3Å; Y185-I200 VanDerWaalsContact CA-O 3.26Å; Y185-I200 WeakPolarHBondContact CA-O 3.48Å; Y185-V201 HydrophobicContact CD1-CG2 4Å; Y185-V201 HydrophobicContact CE1-CG2 3.54Å
186F90.3Very high90.1Very high32 Ų3276 Ų7614%0.1436%0.36CS..PPolyproline II helixtrans-69.8136.6165.6-172.1-95.2000109A4 F8 L25 L188 A191 I200 L202A4-F186 HydrophobicContact CB-CE2 4.39Å; F8-F186 HydrophobicContact CE2-CE1 4.14Å; F8-F186 AromaticContact CE2-CZ 3.87Å; F8-F186 HydrophobicContact CE2-CZ 3.87Å; F8-F186 HydrophobicContact CZ-CD1 4.49Å; F8-F186 AromaticContact CZ-CE1 3.74Å; F8-F186 HydrophobicContact CZ-CE1 3.74Å; F8-F186 AromaticContact CZ-CZ 3.94Å; F8-F186 HydrophobicContact CZ-CZ 3.94Å; L25-F186 HydrophobicContact CD1-CD1 4.41Å; L25-F186 HydrophobicContact CD1-CD2 3.99Å; L25-F186 HydrophobicContact CD1-CE2 4.12Å; L25-F186 HydrophobicContact CD1-CG 4.14Å; L25-F186 HydrophobicContact CD1-CZ 4.39Å; L25-F186 HydrophobicContact CD2-CD2 4.17Å; L25-F186 HydrophobicContact CD2-CE2 3.81Å; L25-F186 HydrophobicContact CD2-CZ 4.43Å; F186-L188 PolarHBondContact O-N 2.92Å; F186-L188 VanDerWaalsContact O-N 3.16Å; F186-A191 HydrophobicContact CD1-CB 4.04Å; F186-A191 HydrophobicContact CE1-CB 3.95Å; F186-I200 HydrophobicContact CB-CB 4.37Å; F186-I200 PolarHBondContact N-O 2.94Å; F186-L202 HydrophobicContact CB-CD1 4.1Å; F186-L202 HydrophobicContact CB-CD2 3.96Å; F186-L202 HydrophobicContact CB-CG 3.99Å; F186-L202 HydrophobicContact CD2-CD1 4.33Å; F186-L202 HydrophobicContact CD2-CD2 4.29Å
187P90.1Very high89.8Confident71 Ų7178.3 Ų78.346%0.46138%0.38SS..PPolyproline II helixtrans-69.3117.6-177.16.90.6000111.2E189 Y190P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 PolarHBondContact O-N 3.28Å; P187-Y190 HydrophobicContact CB-CD2 3.91Å; P187-Y190 HydrophobicContact CB-CE2 4.47Å; P187-Y190 HydrophobicContact CG-CD2 3.99Å; P187-Y190 HydrophobicContact CG-CE2 4.44Å; P187-Y190 PolarHBondContact O-N 3.41Å; P187-Y190 VanDerWaalsContact O-N 3.1Å
188L88.3Confident89.6Confident51 Ų5179 Ų7927%0.26738%0.381SS..Hα-helixtrans-60.3-35.3-171.6-175.763.2000113F186 Y190 A191 Q192 E199F186-L188 PolarHBondContact O-N 2.92Å; F186-L188 VanDerWaalsContact O-N 3.16Å; L188-Y190 PolarHBondContact O-N 3.44Å; L188-A191 PolarHBondContact O-N 3.21Å; L188-Q192 HydrophobicContact CD1-CG 4.48Å; L188-Q192 HydrophobicContact CG-CG 4.27Å; L188-Q192 WeakPolarHBondContact O-CG 3.46Å; L188-Q192 PolarHBondContact O-N 3.05Å; L188-E199 HydrophobicContact CD2-CG 4.41Å
189E88.5Confident89.3Confident148 Ų14884.5 Ų84.569%0.69241%0.406SS*.Hα-helixtrans-56.9-31.7177.8-64.3-179.3-179.800113P187P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 PolarHBondContact O-N 3.28Å
190Y86.8Confident89.1Confident120 Ų12082.8 Ų82.847%0.47140%0.399SS..Hα-helixtrans-79.2-40.4175.6-72.5-91.4000111.6P187 L188 Q192 R193P187-Y190 HydrophobicContact CB-CD2 3.91Å; P187-Y190 HydrophobicContact CB-CE2 4.47Å; P187-Y190 HydrophobicContact CG-CD2 3.99Å; P187-Y190 HydrophobicContact CG-CE2 4.44Å; P187-Y190 PolarHBondContact O-N 3.41Å; P187-Y190 VanDerWaalsContact O-N 3.1Å; L188-Y190 PolarHBondContact O-N 3.44Å; Y190-Q192 VanDerWaalsContact C-N 3.26Å; Y190-Q192 PolarHBondContact O-N 2.88Å; Y190-R193 WeakPolarHBondContact O-CB 3.2Å; Y190-R193 PolarHBondContact O-N 3.35Å
191A86.5Confident88.9Confident1 Ų183.1 Ų83.11%0.00840%0.403CS..Hα-helixtrans-63-35.517800000111.7F8 F186 L188 R193 F194 K196F8-A191 HydrophobicContact CE1-CB 4.24Å; F8-A191 HydrophobicContact CZ-CB 4.13Å; F186-A191 HydrophobicContact CD1-CB 4.04Å; F186-A191 HydrophobicContact CE1-CB 3.95Å; L188-A191 PolarHBondContact O-N 3.21Å; A191-R193 PolarHBondContact O-N 2.83Å; A191-F194 PolarHBondContact O-N 3.47Å; A191-K196 CarbonylContact C-O 3.57Å; A191-K196 VanDerWaalsContact C-O 3.3Å; A191-K196 HydrophobicContact CB-CB 4.19Å; A191-K196 PolarHBondContact O-N 3.43Å
192Q89.5Confident88.8Confident105 Ų10581.8 Ų81.849%0.49140%0.396SS..G310 helixtrans-61.2-26.8177.2-75.7173.9-15.400113.5L188 Y190 F194 N195 K196L188-Q192 HydrophobicContact CD1-CG 4.48Å; L188-Q192 HydrophobicContact CG-CG 4.27Å; L188-Q192 WeakPolarHBondContact O-CG 3.46Å; L188-Q192 PolarHBondContact O-N 3.05Å; Y190-Q192 VanDerWaalsContact C-N 3.26Å; Y190-Q192 PolarHBondContact O-N 2.88Å; Q192-F194 PolarHBondContact O-N 3.25Å; Q192-N195 PolarHBondContact O-N 2.91Å; Q192-K196 WeakPolarHBondContact CA-O 3.21Å; Q192-K196 PolarHBondContact N-O 2.86Å
193R89.1Confident88.7Confident175 Ų17579.3 Ų79.366%0.6639%0.385SS*.G310 helixtrans-65.4-18.7174.6-60.1-178.2-172.2175.62.3113Y190 A191Y190-R193 WeakPolarHBondContact O-CB 3.2Å; Y190-R193 PolarHBondContact O-N 3.35Å; A191-R193 PolarHBondContact O-N 2.83Å
194F87.2Confident88.7Confident72 Ų7278.1 Ų78.132%0.31638%0.378SS..G310 helixtrans-110.326.3179.2-64.3-85000112.3E5 F8 A191 Q192 K196E5-F194 HydrophobicContact CB-CZ 4.37Å; E5-F194 HydrophobicContact CG-CE2 4.44Å; E5-F194 HydrophobicContact CG-CZ 3.94Å; F8-F194 HydrophobicContact CB-CB 3.97Å; F8-F194 HydrophobicContact CB-CD1 3.58Å; F8-F194 HydrophobicContact CB-CD2 4.16Å; F8-F194 HydrophobicContact CB-CE1 4.09Å; F8-F194 HydrophobicContact CB-CG 3.63Å; F8-F194 HydrophobicContact CD1-CB 3.73Å; F8-F194 HydrophobicContact CD1-CD2 4.26Å; F8-F194 HydrophobicContact CD1-CG 4.04Å; F8-F194 AromaticContact CD2-CD2 3.75Å; F8-F194 HydrophobicContact CD2-CD2 3.75Å; F8-F194 HydrophobicContact CD2-CE2 4.02Å; F8-F194 HydrophobicContact CD2-CG 4.1Å; F8-F194 HydrophobicContact CE1-CB 4.36Å; F8-F194 HydrophobicContact CE2-CD2 4.18Å; F8-F194 HydrophobicContact CG-CB 3.89Å; F8-F194 HydrophobicContact CG-CD1 4.15Å; F8-F194 AromaticContact CG-CD2 3.81Å; F8-F194 HydrophobicContact CG-CD2 3.81Å; F8-F194 HydrophobicContact CG-CE2 4.41Å; F8-F194 AromaticContact CG-CG 3.68Å; F8-F194 HydrophobicContact CG-CG 3.68Å; A191-F194 PolarHBondContact O-N 3.47Å; Q192-F194 PolarHBondContact O-N 3.25Å; F194-K196 PolarHBondContact O-N 3.37Å
195N88.4Confident88.7Confident160 Ų16077.9 Ų77.986%0.85638%0.378SS*.THydrogen-bonded Turntrans55.728.9-177.3-67.4-21.8000114Q192Q192-N195 PolarHBondContact O-N 2.91Å
196K86.2Confident88.6Confident48 Ų4873.5 Ų73.521%0.20937%0.365CS..  trans-105.5124.7172.3-58.1-59.4-174.3178.60109.9F8 W21 A191 Q192 F194F8-K196 HydrophobicContact CD1-CG 4.08Å; F8-K196 HydrophobicContact CE1-CB 4.46Å; F8-K196 HydrophobicContact CE1-CG 4.01Å; W21-K196 HydrophobicContact CD2-CD 4.4Å; W21-K196 HydrophobicContact CD2-CG 4.25Å; W21-K196 HydrophobicContact CE3-CG 4.41Å; W21-K196 HydrophobicContact CH2-CB 3.69Å; W21-K196 HydrophobicContact CH2-CD 4.41Å; W21-K196 HydrophobicContact CH2-CG 3.94Å; W21-K196 HydrophobicContact CZ2-CB 3.94Å; W21-K196 HydrophobicContact CZ2-CD 3.81Å; W21-K196 HydrophobicContact CZ2-CG 3.85Å; W21-K196 HydrophobicContact CZ3-CB 4.2Å; W21-K196 HydrophobicContact CZ3-CG 4.23Å; A191-K196 CarbonylContact C-O 3.57Å; A191-K196 VanDerWaalsContact C-O 3.3Å; A191-K196 HydrophobicContact CB-CB 4.19Å; A191-K196 PolarHBondContact O-N 3.43Å; Q192-K196 WeakPolarHBondContact CA-O 3.21Å; Q192-K196 PolarHBondContact N-O 2.86Å; F194-K196 PolarHBondContact O-N 3.37Å
197S86.8Confident88.6Confident97 Ų9773.6 Ų73.668%0.67837%0.372SS*.  trans-110.20.5-178.457.40000114
198E86.6Confident88.6Confident107 Ų10771.3 Ų71.350%0.536%0.356SS..  trans-91.3136.1-175.8-63.9176.1-163.100111.5K22K22-E198 WeakPolarHBondContact CE-OE2 3.42Å; K22-E198 IonicContact NZ-OE2 2.69Å; K22-E198 PolarHBondContact NZ-OE2 3.35Å
199E87.5Confident88.9Confident146 Ų14672.1 Ų72.168%0.68236%0.355SS*.  trans-72137.6171.6-68.6-172.6155.100111L188L188-E199 HydrophobicContact CD2-CG 4.41Å
200I88.3Confident89.1Confident3 Ų365 Ų652%0.01532%0.322CS..  trans-121.6124.4178.5-64.2-169000110.7W21 K22 Y185 F186 L202W21-I200 HydrophobicContact CD2-CD1 4.13Å; W21-I200 HydrophobicContact CE3-CD1 3.53Å; W21-I200 HydrophobicContact CH2-CD1 3.12Å; W21-I200 HydrophobicContact CH2-CG1 3.77Å; W21-I200 HydrophobicContact CZ2-CD1 3.69Å; W21-I200 HydrophobicContact CZ2-CG1 4.46Å; W21-I200 HydrophobicContact CZ3-CD1 3.01Å; W21-I200 HydrophobicContact CZ3-CG1 3.97Å; K22-I200 HydrophobicContact CB-CD1 3.65Å; K22-I200 HydrophobicContact CD-CD1 3.71Å; K22-I200 HydrophobicContact CD-CG1 4.2Å; K22-I200 HydrophobicContact CG-CD1 3.39Å; K22-I200 HydrophobicContact CG-CG1 4.38Å; Y185-I200 CarbonylContact C-O 3.3Å; Y185-I200 VanDerWaalsContact CA-O 3.26Å; Y185-I200 WeakPolarHBondContact CA-O 3.48Å; F186-I200 HydrophobicContact CB-CB 4.37Å; F186-I200 PolarHBondContact N-O 2.94Å; I200-L202 HydrophobicContact CG2-CD2 4.4Å; I200-L202 PolarHBondContact O-N 2.73Å
201V90.6Very high89.3Confident53 Ų5361.7 Ų61.732%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-72.9117.6161.4179.70000109R26 V183 Y185R26-V201 PolarHBondContact NE-O 3.46Å; V183-V201 HydrophobicContact CG1-CB 4.15Å; V183-V201 HydrophobicContact CG1-CG1 3.49Å; V183-V201 VanDerWaalsContact CG1-CG1 3.49Å; V183-V201 HydrophobicContact CG1-CG2 3.66Å; Y185-V201 HydrophobicContact CD1-CG2 4Å; Y185-V201 HydrophobicContact CE1-CG2 3.54Å
202L90.5Very high89.5Confident20 Ų2065.5 Ų65.511%0.10534%0.342CS..EExtended strand (participates in β ladder)trans-77.9-54.8174.2-67.6176.4000110.4L25 A29 V184 F186 I200L25-L202 HydrophobicContact CB-CD2 3.99Å; A29-L202 HydrophobicContact CB-CB 3.76Å; A29-L202 HydrophobicContact CB-CD1 3.9Å; A29-L202 HydrophobicContact CB-CD2 3.88Å; A29-L202 HydrophobicContact CB-CG 4.06Å; V184-L202 HydrophobicContact CG1-CD1 4.43Å; V184-L202 WeakPolarHBondContact O-CB 3.27Å; V184-L202 PolarHBondContact O-N 3.2Å; F186-L202 HydrophobicContact CB-CD1 4.1Å; F186-L202 HydrophobicContact CB-CD2 3.96Å; F186-L202 HydrophobicContact CB-CG 3.99Å; F186-L202 HydrophobicContact CD2-CD1 4.33Å; F186-L202 HydrophobicContact CD2-CD2 4.29Å; I200-L202 HydrophobicContact CG2-CD2 4.4Å; I200-L202 PolarHBondContact O-N 2.73Å
203F89.7Confident89.6Confident44 Ų4460.6 Ų60.619%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-160162.217759.9-88.9000110.3A29 V30 D104 V184A29-F203 HydrophobicContact CB-CD1 4.1Å; A29-F203 HydrophobicContact CB-CE1 4.29Å; V30-F203 HydrophobicContact CG2-CB 4.32Å; D104-F203 HydrophobicContact CB-CB 4.13Å; V184-F203 HydrophobicContact CB-CD1 4.25Å; V184-F203 HydrophobicContact CB-CD2 4.27Å; V184-F203 HydrophobicContact CB-CE1 3.92Å; V184-F203 HydrophobicContact CB-CE2 3.95Å; V184-F203 HydrophobicContact CB-CG 4.41Å; V184-F203 HydrophobicContact CB-CZ 3.77Å; V184-F203 HydrophobicContact CG1-CD1 4.49Å; V184-F203 HydrophobicContact CG1-CE1 3.83Å; V184-F203 HydrophobicContact CG1-CZ 3.86Å; V184-F203 HydrophobicContact CG2-CD2 4.13Å; V184-F203 HydrophobicContact CG2-CE1 4.29Å; V184-F203 HydrophobicContact CG2-CE2 3.51Å; V184-F203 HydrophobicContact CG2-CZ 3.61Å; V184-F203 PolarHBondContact N-O 3.27Å
204T91Very high89.6Confident26 Ų2653.9 Ų53.916%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-107.9138.5170.6-54.80000108.9D104 F105 L181 V183D104-T204 PolarHBondContact OD1-N 3.19Å; F105-T204 WeakPolarHBondContact CB-O 3.48Å; F105-T204 PolarHBondContact N-O 3.06Å; L181-T204 HydrophobicContact CB-CG2 4.03Å; L181-T204 HydrophobicContact CD1-CG2 4.47Å; L181-T204 HydrophobicContact CD2-CG2 4Å; L181-T204 HydrophobicContact CG-CG2 4.39Å; V183-T204 HydrophobicContact CG2-CG2 4.43Å
205S88.8Confident89.5Confident34 Ų3456.9 Ų56.924%0.23832%0.316CS..EExtended strand (participates in β ladder)trans-123.3149.5174.460.30000110L181 K182L181-S205 CarbonylContact C-O 3.52Å; L181-S205 WeakPolarHBondContact CA-O 3.2Å; K182-S205 PolarHBondContact N-O 3.16Å; K182-S205 PolarHBondContact O-N 2.96Å; K182-S205 PolarHBondContact O-OG 3.39Å
206C90.1Very high89.3Confident31 Ų3152.1 Ų52.121%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-99.1115.8171.21760000108.2F105 C112 N116F105-C206 HydrophobicContact CD1-CB 4.06Å; F105-C206 HydrophobicContact CD2-CB 3.87Å; F105-C206 HydrophobicContact CE1-CB 4.26Å; F105-C206 HydrophobicContact CE2-CB 4.07Å; F105-C206 HydrophobicContact CG-CB 3.88Å; F105-C206 HydrophobicContact CZ-CB 4.26Å; C112-C206 VanDerWaalsContact C-SG 3.59Å; C112-C206 WeakPolarHBondContact CA-SG 3.39Å; C112-C206 HydrophobicContact CB-CB 3.79Å; C112-C206 WeakPolarHBondContact CB-SG 3.38Å; C112-C206 PolarHBondContact O-SG 2.84Å; C112-C206 VanDerWaalsContact O-SG 3.39Å; C112-C206 VanDerWaalsContact SG-CA 3.55Å; C112-C206 WeakPolarHBondContact SG-CB 3.33Å; C112-C206 CovalentContact SG-SG 2.03Å; C112-C206 PolarHBondContact SG-SG 3.48Å; N116-C206 PolarHBondContact ND2-SG 3.07Å
207A89.8Confident89.1Confident33 Ų3353.5 Ų53.527%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-139.3159.2-173.600000111.7Y179 D180 R209Y179-A207 WeakPolarHBondContact CA-O 3.5Å; D180-A207 PolarHBondContact N-O 3.36Å; D180-A207 PolarHBondContact O-N 3.27Å; A207-R209 PolarHBondContact O-N 3.24Å; A207-R209 VanDerWaalsContact O-N 3.13Å
208L91.1Very high89.2Confident24 Ų2452.1 Ų52.113%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-68.2108.9169.8-172.174.4000108.4N178 Y179 P210 T227 E231N178-L208 HydrophobicContact CB-CD1 3.5Å; N178-L208 HydrophobicContact CB-CG 4.47Å; N178-L208 CarbonylContact O-C 3.46Å; Y179-L208 HydrophobicContact CD2-CB 4.38Å; Y179-L208 HydrophobicContact CD2-CD1 3.64Å; Y179-L208 HydrophobicContact CE2-CB 3.96Å; Y179-L208 HydrophobicContact CE2-CD1 3.54Å; Y179-L208 HydrophobicContact CE2-CG 4.34Å; L208-P210 HydrophobicContact CG-CG 4.39Å; L208-T227 WeakPolarHBondContact O-CG2 3.11Å; L208-E231 HydrophobicContact CD2-CB 3.69Å; L208-E231 HydrophobicContact CD2-CG 3.9Å
209R92.9Very high89.4Confident67 Ų6750.9 Ų50.925%0.25331%0.305SS..  trans-134.677.2-177.1-141.6-170.3163.254.28.9108.8N178 D180 A207 P211 T214 E223N178-R209 CarbonylContact O-C 3.58Å; N178-R209 WeakPolarHBondContact O-CA 3.3Å; N178-R209 PolarHBondContact O-N 3Å; D180-R209 HydrophobicContact CB-CB 3.92Å; A207-R209 PolarHBondContact O-N 3.24Å; A207-R209 VanDerWaalsContact O-N 3.13Å; R209-P211 WeakPolarHBondContact O-CD 3.38Å; R209-T214 HydrophobicContact CG-CG2 3.56Å; R209-E223 IonicContact CZ-OE1 2.79Å; R209-E223 IonicContact NH1-OE1 3.57Å; R209-E223 PolarHBondContact NH1-OE1 2.95Å; R209-E223 IonicContact NH2-OE1 2.93Å; R209-E223 PolarHBondContact NH2-OE1 3.48Å; R209-E223 IonicContact NH2-OE2 3.14Å
210P93.4Very high89.3Confident0 Ų050.7 Ų50.70%031%0.308CS..  trans-62.1128.2-174.7-19.131.2000110.6N178 L208 S212 C213 T214 V230N178-P210 HydrophobicContact CB-CB 4.19Å; N178-P210 HydrophobicContact CB-CG 4.19Å; L208-P210 HydrophobicContact CG-CG 4.39Å; P210-S212 PolarHBondContact O-N 2.86Å; P210-S212 VanDerWaalsContact O-N 3.15Å; P210-C213 HydrophobicContact CB-CB 4.48Å; P210-C213 WeakPolarHBondContact O-CA 3.24Å; P210-C213 WeakPolarHBondContact O-CB 3.42Å; P210-C213 PolarHBondContact O-N 2.87Å; P210-T214 PolarHBondContact O-N 3.35Å; P210-T214 VanDerWaalsContact O-N 3.15Å; P210-V230 HydrophobicContact CB-CG1 4.23Å; P210-V230 HydrophobicContact CB-CG2 4.27Å; P210-V230 HydrophobicContact CG-CB 3.76Å; P210-V230 HydrophobicContact CG-CG1 3.6Å; P210-V230 HydrophobicContact CG-CG2 3.97Å
211P91.8Very high89.3Confident49 Ų4955.4 Ų55.432%0.31833%0.33SS..Hα-helixtrans-57.4-31.7178.7-26.734.4000113R209 C213 T214 D215R209-P211 WeakPolarHBondContact O-CD 3.38Å; P211-C213 PolarHBondContact O-N 3.38Å; P211-C213 VanDerWaalsContact O-N 3.12Å; P211-T214 PolarHBondContact O-N 2.87Å; P211-D215 WeakPolarHBondContact O-CB 3.44Å; P211-D215 PolarHBondContact O-N 3.02Å
212S90.6Very high89.3Confident82 Ų8257.2 Ų57.257%0.57334%0.335SS*.Hα-helixtrans-60.6-19.1173.758.80000114P210P210-S212 PolarHBondContact O-N 2.86Å; P210-S212 VanDerWaalsContact O-N 3.15Å
213C92.1Very high89.3Confident1 Ų157.7 Ų57.71%0.00734%0.337CS..Hα-helixtrans-100.3-42.9176.5-57.80000111.4P210 P211 S216 C226P210-C213 HydrophobicContact CB-CB 4.48Å; P210-C213 WeakPolarHBondContact O-CA 3.24Å; P210-C213 WeakPolarHBondContact O-CB 3.42Å; P210-C213 PolarHBondContact O-N 2.87Å; P211-C213 PolarHBondContact O-N 3.38Å; P211-C213 VanDerWaalsContact O-N 3.12Å; C213-S216 PolarHBondContact O-OG 2.91Å; C213-C226 VanDerWaalsContact CA-SG 3.51Å; C213-C226 HydrophobicContact CB-CB 3.7Å; C213-C226 WeakPolarHBondContact CB-SG 3.44Å; C213-C226 WeakPolarHBondContact SG-CB 3.43Å; C213-C226 CovalentContact SG-SG 2.05Å; C213-C226 PolarHBondContact SG-SG 2.86Å
214T88.8Confident89.3Confident34 Ų3460.1 Ų60.121%0.20935%0.347CS..Hα-helixtrans-78.4-38-175.654.50000114.2R209 P210 P211 S216R209-T214 HydrophobicContact CG-CG2 3.56Å; P210-T214 PolarHBondContact O-N 3.35Å; P210-T214 VanDerWaalsContact O-N 3.15Å; P211-T214 PolarHBondContact O-N 2.87Å; T214-S216 PolarHBondContact O-N 3.21Å
215D84.7Confident89.2Confident135 Ų13561.6 Ų61.672%0.72235%0.354SS*.THydrogen-bonded Turntrans-94.615-169.9-55.7-8.3000111.3P211P211-D215 WeakPolarHBondContact O-CB 3.44Å; P211-D215 PolarHBondContact O-N 3.02Å
216S83.2Confident89.4Confident60 Ų6061.1 Ų61.142%0.4235%0.351SS..THydrogen-bonded Turntrans-99.1-6.3-170.963.30000113.9C213 T214 L218C213-S216 PolarHBondContact O-OG 2.91Å; T214-S216 PolarHBondContact O-N 3.21Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.68Å; S216-L218 WeakPolarHBondContact OG-CD1 3.46Å; S216-L218 WeakPolarHBondContact OG-CG 3.45Å
217G83.6Confident89.4Confident77 Ų7760.9 Ų60.979%0.79435%0.348SS*.  trans72.616.8-177.400000114.4
218L87Confident89.4Confident68 Ų6861.4 Ų61.436%0.35635%0.345SS..  trans-66153.1174.8-69.3170.8000111.5S216 E222 C226S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.68Å; S216-L218 WeakPolarHBondContact OG-CD1 3.46Å; S216-L218 WeakPolarHBondContact OG-CG 3.45Å; L218-E222 HydrophobicContact CB-CB 3.78Å; L218-E222 HydrophobicContact CD1-CB 4.34Å; L218-E222 HydrophobicContact CD2-CB 3.9Å; L218-E222 HydrophobicContact CD2-CG 4.41Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.42Å; L218-E222 HydrophobicContact CG-CB 4.19Å; L218-C226 HydrophobicContact CD1-CB 4.24Å
219N91.2Very high89.3Confident82 Ų8268.4 Ų68.444%0.43937%0.37SS..  trans-71.6167.9168.970.646.7000111.1E221 E222 E223N219-E221 VanDerWaalsContact C-N 3.29Å; N219-E221 PolarHBondContact O-N 3.3Å; N219-E221 PolarHBondContact OD1-N 2.99Å; N219-E221 VanDerWaalsContact OD1-N 3.15Å; N219-E222 VanDerWaalsContact CG-OE2 3.29Å; N219-E222 PolarHBondContact N-OE2 2.85Å; N219-E222 PolarHBondContact ND2-OE1 2.76Å; N219-E222 PolarHBondContact ND2-OE2 2.89Å; N219-E222 VanDerWaalsContact ND2-OE2 3.16Å; N219-E222 PolarHBondContact O-N 2.97Å; N219-E222 WeakPolarHBondContact OD1-CB 2.93Å; N219-E222 WeakPolarHBondContact OD1-CG 3.34Å; N219-E222 PolarHBondContact OD1-N 3.44Å; N219-E223 PolarHBondContact O-N 3.44Å
220L86.9Confident89.2Confident142 Ų14266.7 Ų66.774%0.74337%0.366SS*.Hα-helixtrans-58-38.1-174.4-175.965.1000113.5K224L220-K224 WeakPolarHBondContact O-CB 3.37Å; L220-K224 PolarHBondContact O-N 3.17Å
221E88.1Confident89Confident102 Ų10269.3 Ų69.348%0.47738%0.379SS..Hα-helixtrans-72.8-38.9-179.7-175.856-148.900111.2N219 K224 N225N219-E221 VanDerWaalsContact C-N 3.29Å; N219-E221 PolarHBondContact O-N 3.3Å; N219-E221 PolarHBondContact OD1-N 2.99Å; N219-E221 VanDerWaalsContact OD1-N 3.15Å; E221-K224 PolarHBondContact O-N 2.87Å; E221-N225 WeakPolarHBondContact O-CB 3.24Å; E221-N225 PolarHBondContact O-N 3.25Å; E221-N225 PolarHBondContact O-ND2 2.93Å; E221-N225 PolarHBondContact OE1-ND2 3.01Å
222E91Very high88.9Confident90 Ų9069.6 Ų69.642%0.42138%0.378SS..Hα-helixtrans-66.9-41.6173.8-73.1169.5164.500112.3L218 N219 K224 N225 C226L218-E222 HydrophobicContact CB-CB 3.78Å; L218-E222 HydrophobicContact CD1-CB 4.34Å; L218-E222 HydrophobicContact CD2-CB 3.9Å; L218-E222 HydrophobicContact CD2-CG 4.41Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.42Å; L218-E222 HydrophobicContact CG-CB 4.19Å; N219-E222 VanDerWaalsContact CG-OE2 3.29Å; N219-E222 PolarHBondContact N-OE2 2.85Å; N219-E222 PolarHBondContact ND2-OE1 2.76Å; N219-E222 PolarHBondContact ND2-OE2 2.89Å; N219-E222 VanDerWaalsContact ND2-OE2 3.16Å; N219-E222 PolarHBondContact O-N 2.97Å; N219-E222 WeakPolarHBondContact OD1-CB 2.93Å; N219-E222 WeakPolarHBondContact OD1-CG 3.34Å; N219-E222 PolarHBondContact OD1-N 3.44Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.31Å; E222-N225 PolarHBondContact O-N 2.85Å; E222-C226 VanDerWaalsContact O-CB 3.28Å; E222-C226 WeakPolarHBondContact O-CB 3.2Å; E222-C226 PolarHBondContact O-N 3.21Å
223E90Very high89Confident30 Ų3069.8 Ų69.814%0.1438%0.375CS..Hα-helixtrans-58.8-44.9173.9-176.6-172.5137.900110.3R209 N219 C226 T227R209-E223 IonicContact CZ-OE1 2.79Å; R209-E223 IonicContact NH1-OE1 3.57Å; R209-E223 PolarHBondContact NH1-OE1 2.95Å; R209-E223 IonicContact NH2-OE1 2.93Å; R209-E223 PolarHBondContact NH2-OE1 3.48Å; R209-E223 IonicContact NH2-OE2 3.14Å; N219-E223 PolarHBondContact O-N 3.44Å; E223-C226 PolarHBondContact O-N 3Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 PolarHBondContact O-N 3.23Å; E223-T227 PolarHBondContact O-OG1 2.96Å
224K88.4Confident88.8Confident95 Ų9570.1 Ų70.141%0.41338%0.377SS..Hα-helixtrans-61.2-49.3177-174.9-174.9173.4-163.50111.4L220 E221 E222 C226 T227 Q228 S334L220-K224 WeakPolarHBondContact O-CB 3.37Å; L220-K224 PolarHBondContact O-N 3.17Å; E221-K224 PolarHBondContact O-N 2.87Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.31Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 3.44Å; K224-T227 PolarHBondContact O-N 3.28Å; K224-Q228 WeakPolarHBondContact O-CB 3.49Å; K224-Q228 PolarHBondContact O-N 3.46Å; K224-S334 PolarHBondContact NZ-OG 3.08Å
225N89.8Confident88.8Confident58 Ų5869 Ų6931%0.3137%0.37SS..Hα-helixtrans-65.7-32.6178.8-75-46.1000113E221 E222 R229E221-N225 WeakPolarHBondContact O-CB 3.24Å; E221-N225 PolarHBondContact O-N 3.25Å; E221-N225 PolarHBondContact O-ND2 2.93Å; E221-N225 PolarHBondContact OE1-ND2 3.01Å; E222-N225 PolarHBondContact O-N 2.85Å; N225-R229 PolarHBondContact O-N 3.43Å; N225-R229 PolarHBondContact O-NE 2.92Å
226C92.2Very high89.1Confident24 Ų2465.6 Ų65.616%0.16235%0.354CS..Hα-helixtrans-66.9-50171.9-179.30000111C213 L218 E222 E223 K224 Q228 R229 V230C213-C226 VanDerWaalsContact CA-SG 3.51Å; C213-C226 HydrophobicContact CB-CB 3.7Å; C213-C226 WeakPolarHBondContact CB-SG 3.44Å; C213-C226 WeakPolarHBondContact SG-CB 3.43Å; C213-C226 CovalentContact SG-SG 2.05Å; C213-C226 PolarHBondContact SG-SG 2.86Å; L218-C226 HydrophobicContact CD1-CB 4.24Å; E222-C226 VanDerWaalsContact O-CB 3.28Å; E222-C226 WeakPolarHBondContact O-CB 3.2Å; E222-C226 PolarHBondContact O-N 3.21Å; E223-C226 PolarHBondContact O-N 3Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 3.44Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 2.81Å; C226-R229 WeakPolarHBondContact O-CB 3.41Å; C226-R229 PolarHBondContact O-N 3.02Å; C226-R229 VanDerWaalsContact O-N 3.14Å; C226-V230 PolarHBondContact O-N 3.46Å
227T91Very high89.4Confident25 Ų2566 Ų6615%0.15335%0.351CS..Hα-helixtrans-60.7-44.1-179-58.20000111.2L208 E223 K224 R229 V230 E231L208-T227 WeakPolarHBondContact O-CG2 3.11Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 PolarHBondContact O-N 3.23Å; E223-T227 PolarHBondContact O-OG1 2.96Å; K224-T227 PolarHBondContact O-N 3.28Å; T227-R229 VanDerWaalsContact C-N 3.32Å; T227-R229 PolarHBondContact O-N 3.47Å; T227-V230 PolarHBondContact O-N 3.26Å; T227-E231 WeakPolarHBondContact O-CB 3.21Å; T227-E231 PolarHBondContact O-N 3.28Å
228Q88.7Confident89.6Confident45 Ų4563.5 Ų63.521%0.2132%0.319CS..Hα-helixtrans-60.1-40.3176.2-178.6177.31.400112.3K224 C226 E231 L232 S333K224-Q228 WeakPolarHBondContact O-CB 3.49Å; K224-Q228 PolarHBondContact O-N 3.46Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 2.81Å; Q228-E231 PolarHBondContact O-N 3.25Å; Q228-L232 WeakPolarHBondContact O-CB 3.44Å; Q228-L232 PolarHBondContact O-N 3.23Å; Q228-S333 VanDerWaalsContact CD-OG 3.23Å; Q228-S333 WeakPolarHBondContact CG-OG 3.49Å; Q228-S333 PolarHBondContact NE2-OG 3.02Å
229R90.3Very high89.6Confident170 Ų17061.3 Ų61.364%0.64231%0.31SS*.Hα-helixtrans-63.6-43.5175.8-85.1-174.1-82.4-166.5-3.9111.8N225 C226 T227 L232 V233N225-R229 PolarHBondContact O-N 3.43Å; N225-R229 PolarHBondContact O-NE 2.92Å; C226-R229 WeakPolarHBondContact O-CB 3.41Å; C226-R229 PolarHBondContact O-N 3.02Å; C226-R229 VanDerWaalsContact O-N 3.14Å; T227-R229 VanDerWaalsContact C-N 3.32Å; T227-R229 PolarHBondContact O-N 3.47Å; R229-L232 PolarHBondContact O-N 3.4Å; R229-V233 WeakPolarHBondContact O-CG2 3.23Å; R229-V233 PolarHBondContact O-N 2.9Å
230V90.5Very high89.6Confident31 Ų3160.1 Ų60.119%0.18831%0.306CS..Hα-helixtrans-64.5-45.4176.9177.30000110.7P210 C226 T227 L232 V233 V234P210-V230 HydrophobicContact CB-CG1 4.23Å; P210-V230 HydrophobicContact CB-CG2 4.27Å; P210-V230 HydrophobicContact CG-CB 3.76Å; P210-V230 HydrophobicContact CG-CG1 3.6Å; P210-V230 HydrophobicContact CG-CG2 3.97Å; C226-V230 PolarHBondContact O-N 3.46Å; T227-V230 PolarHBondContact O-N 3.26Å; V230-L232 PolarHBondContact O-N 3.38Å; V230-V233 PolarHBondContact O-N 3.1Å; V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 VanDerWaalsContact O-CG2 3.29Å; V230-V234 WeakPolarHBondContact O-CG2 3.45Å; V230-V234 PolarHBondContact O-N 2.86Å
231E89.7Confident89.5Confident55 Ų5556.2 Ų56.226%0.25728%0.283SS..Hα-helixtrans-56.2-49.8176.5-165.5-167137.600111.3L208 T227 Q228 V233 V234 T235 S330L208-E231 HydrophobicContact CD2-CB 3.69Å; L208-E231 HydrophobicContact CD2-CG 3.9Å; T227-E231 WeakPolarHBondContact O-CB 3.21Å; T227-E231 PolarHBondContact O-N 3.28Å; Q228-E231 PolarHBondContact O-N 3.25Å; E231-V233 PolarHBondContact O-N 2.83Å; E231-V234 PolarHBondContact O-N 3.46Å; E231-T235 WeakPolarHBondContact O-CB 3.27Å; E231-T235 PolarHBondContact O-N 2.84Å; E231-T235 PolarHBondContact O-OG1 2.94Å; E231-T235 VanDerWaalsContact O-OG1 3.05Å; E231-S330 PolarHBondContact OE1-OG 3.01Å
232L89.9Confident89.4Confident56 Ų5651.5 Ų51.529%0.29326%0.261SS..Hα-helixtrans-59.2-45.2178.5-17963.8000112Q228 R229 V230 V234 T235 V236 L327 L331Q228-L232 WeakPolarHBondContact O-CB 3.44Å; Q228-L232 PolarHBondContact O-N 3.23Å; R229-L232 PolarHBondContact O-N 3.4Å; V230-L232 PolarHBondContact O-N 3.38Å; L232-V234 VanDerWaalsContact C-N 3.33Å; L232-V234 PolarHBondContact O-N 2.96Å; L232-T235 PolarHBondContact O-N 3.44Å; L232-V236 HydrophobicContact CD1-CG2 4.08Å; L232-V236 HydrophobicContact CG-CG2 4.37Å; L232-V236 WeakPolarHBondContact O-CB 3.47Å; L232-V236 WeakPolarHBondContact O-CG2 3.26Å; L232-V236 PolarHBondContact O-N 3.03Å; L232-L327 HydrophobicContact CD1-CD1 4.45Å; L232-L331 HydrophobicContact CD1-CD2 3.65Å; L232-L331 HydrophobicContact CD1-CG 4.07Å; L232-L331 HydrophobicContact CD2-CD2 4.4Å
233V90.9Very high89.3Confident85 Ų8549.2 Ų49.252%0.51525%0.249SC..Hα-helixtrans-59.5-46.4177.4167.90000110.6R229 V230 E231 V236 L237R229-V233 WeakPolarHBondContact O-CG2 3.23Å; R229-V233 PolarHBondContact O-N 2.9Å; V230-V233 PolarHBondContact O-N 3.1Å; E231-V233 PolarHBondContact O-N 2.83Å; V233-V236 PolarHBondContact O-N 3.09Å; V233-L237 HydrophobicContact CG1-CD1 4Å; V233-L237 HydrophobicContact CG1-CG 4.49Å; V233-L237 WeakPolarHBondContact O-CB 3.3Å; V233-L237 VanDerWaalsContact O-CG 3.26Å; V233-L237 WeakPolarHBondContact O-CG 3.28Å; V233-L237 PolarHBondContact O-N 3.32Å
234V89.1Confident89.3Confident9 Ų949.5 Ų49.56%0.05526%0.256CS..Hα-helixtrans-65.3-45.9-179.7176.70000110.9P174 Y175 V230 E231 L232 V236 L237 Q238P174-V234 HydrophobicContact CB-CG2 3.93Å; Y175-V234 HydrophobicContact CD2-CG1 4.01Å; Y175-V234 HydrophobicContact CE1-CG1 4.1Å; Y175-V234 HydrophobicContact CE2-CG1 3.2Å; Y175-V234 WeakPolarHBondContact OH-CG1 3.44Å; V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 VanDerWaalsContact O-CG2 3.29Å; V230-V234 WeakPolarHBondContact O-CG2 3.45Å; V230-V234 PolarHBondContact O-N 2.86Å; E231-V234 PolarHBondContact O-N 3.46Å; L232-V234 VanDerWaalsContact C-N 3.33Å; L232-V234 PolarHBondContact O-N 2.96Å; V234-V236 VanDerWaalsContact C-N 3.34Å; V234-V236 PolarHBondContact O-N 2.94Å; V234-L237 PolarHBondContact O-N 3.3Å; V234-Q238 PolarHBondContact O-N 2.8Å
235T89.2Confident89.4Confident11 Ų1148.1 Ų48.17%0.06725%0.253CS..Hα-helixtrans-62.2-39.5177.1-60.90000111.9E231 L232 Q238 A239 L327 S330E231-T235 WeakPolarHBondContact O-CB 3.27Å; E231-T235 PolarHBondContact O-N 2.84Å; E231-T235 PolarHBondContact O-OG1 2.94Å; E231-T235 VanDerWaalsContact O-OG1 3.05Å; L232-T235 PolarHBondContact O-N 3.44Å; T235-Q238 WeakPolarHBondContact O-CB 3.35Å; T235-Q238 PolarHBondContact O-N 3.27Å; T235-A239 PolarHBondContact O-N 2.9Å; T235-L327 HydrophobicContact CG2-CB 4.29Å; T235-L327 HydrophobicContact CG2-CD1 4.23Å; T235-S330 PolarHBondContact OG1-OG 2.84Å
236V90.4Very high89.3Confident63 Ų6345.4 Ų45.438%0.38224%0.238SC..Hα-helixtrans-66.3-44174.8168.70000111.1L232 V233 V234 Q238 A239 V240 L327L232-V236 HydrophobicContact CD1-CG2 4.08Å; L232-V236 HydrophobicContact CG-CG2 4.37Å; L232-V236 WeakPolarHBondContact O-CB 3.47Å; L232-V236 WeakPolarHBondContact O-CG2 3.26Å; L232-V236 PolarHBondContact O-N 3.03Å; V233-V236 PolarHBondContact O-N 3.09Å; V234-V236 VanDerWaalsContact C-N 3.34Å; V234-V236 PolarHBondContact O-N 2.94Å; V236-Q238 VanDerWaalsContact C-N 3.27Å; V236-Q238 PolarHBondContact O-N 3.31Å; V236-A239 PolarHBondContact O-N 3.47Å; V236-V240 HydrophobicContact CG1-CG2 4.31Å; V236-V240 WeakPolarHBondContact O-CB 3.39Å; V236-V240 VanDerWaalsContact O-CG2 3.32Å; V236-V240 WeakPolarHBondContact O-CG2 3.26Å; V236-V240 PolarHBondContact O-N 3.21Å; V236-L327 HydrophobicContact CG2-CD1 3.95Å
237L88.9Confident89.1Confident68 Ų6845.9 Ų45.936%0.35624%0.239SC..Hα-helixtrans-59.8-39.6174.7-72.8171.2000111.3V233 V234 V240 F241V233-L237 HydrophobicContact CG1-CD1 4Å; V233-L237 HydrophobicContact CG1-CG 4.49Å; V233-L237 WeakPolarHBondContact O-CB 3.3Å; V233-L237 VanDerWaalsContact O-CG 3.26Å; V233-L237 WeakPolarHBondContact O-CG 3.28Å; V233-L237 PolarHBondContact O-N 3.32Å; V234-L237 PolarHBondContact O-N 3.3Å; L237-V240 PolarHBondContact O-N 2.95Å; L237-F241 HydrophobicContact CB-CD2 4.47Å; L237-F241 HydrophobicContact CD2-CD2 3.98Å; L237-F241 HydrophobicContact CD2-CE2 3.64Å; L237-F241 WeakPolarHBondContact O-CB 3.33Å; L237-F241 WeakPolarHBondContact O-CD2 3.34Å; L237-F241 PolarHBondContact O-N 3.47Å
238Q88Confident89.2Confident24 Ų2449.7 Ų49.711%0.11226%0.257CS..Hα-helixtrans-61.4-53.4171-73.7-170.6-31.900111.9Y124 Y175 V234 T235 V236 V240 L242Y124-Q238 WeakPolarHBondContact OH-CA 3.47Å; Y124-Q238 WeakPolarHBondContact OH-CG 3.47Å; Y175-Q238 HydrophobicContact CE2-CG 4.09Å; Y175-Q238 PolarHBondContact OH-NE2 2.87Å; Y175-Q238 PolarHBondContact OH-OE1 2.93Å; V234-Q238 PolarHBondContact O-N 2.8Å; T235-Q238 WeakPolarHBondContact O-CB 3.35Å; T235-Q238 PolarHBondContact O-N 3.27Å; V236-Q238 VanDerWaalsContact C-N 3.27Å; V236-Q238 PolarHBondContact O-N 3.31Å; Q238-V240 PolarHBondContact O-N 2.86Å; Q238-L242 WeakPolarHBondContact O-CA 3.5Å; Q238-L242 WeakPolarHBondContact O-CB 3.24Å; Q238-L242 PolarHBondContact O-N 2.82Å
239A88.3Confident89.3Confident22 Ų2249.3 Ų49.318%0.18226%0.258CS..Iπ-helixtrans-55.2-38.217900000112.3T235 V236 Y243 A244T235-A239 PolarHBondContact O-N 2.9Å; V236-A239 PolarHBondContact O-N 3.47Å; A239-Y243 WeakPolarHBondContact O-CB 3.31Å; A239-Y243 PolarHBondContact O-N 3.47Å; A239-A244 PolarHBondContact O-N 2.83Å
240V89.6Confident89.3Confident57 Ų5741.3 Ų41.335%0.34523%0.228SC..Iπ-helixtrans-76-57.9-180173.10000112.3V236 L237 Q238 A244 I245V236-V240 HydrophobicContact CG1-CG2 4.31Å; V236-V240 WeakPolarHBondContact O-CB 3.39Å; V236-V240 VanDerWaalsContact O-CG2 3.32Å; V236-V240 WeakPolarHBondContact O-CG2 3.26Å; V236-V240 PolarHBondContact O-N 3.21Å; L237-V240 PolarHBondContact O-N 2.95Å; Q238-V240 PolarHBondContact O-N 2.86Å; V240-A244 PolarHBondContact O-N 3.41Å; V240-I245 HydrophobicContact CG1-CD1 3.71Å; V240-I245 HydrophobicContact CG1-CG1 4.05Å; V240-I245 WeakPolarHBondContact O-CB 3.22Å; V240-I245 PolarHBondContact O-N 2.83Å
241F86.4Confident89.2Confident61 Ų6143.9 Ų43.927%0.26824%0.24SC..Iπ-helixtrans-81.1-30.8-171.4-74.7-81.1000113.4Y124 F167 L171 L237 I245 P246Y124-F241 HydrophobicContact CE1-CB 3.82Å; F167-F241 HydrophobicContact CE1-CD1 4.33Å; F167-F241 HydrophobicContact CZ-CD1 4.28Å; F167-F241 HydrophobicContact CZ-CE1 4.14Å; L171-F241 HydrophobicContact CD1-CB 3.9Å; L171-F241 HydrophobicContact CD1-CD1 4.29Å; L171-F241 HydrophobicContact CD1-CG 4.2Å; L171-F241 HydrophobicContact CD2-CB 4.31Å; L171-F241 HydrophobicContact CD2-CD1 4.24Å; L171-F241 HydrophobicContact CD2-CD2 4.09Å; L171-F241 HydrophobicContact CD2-CE2 4.5Å; L171-F241 HydrophobicContact CD2-CG 3.96Å; L237-F241 HydrophobicContact CB-CD2 4.47Å; L237-F241 HydrophobicContact CD2-CD2 3.98Å; L237-F241 HydrophobicContact CD2-CE2 3.64Å; L237-F241 WeakPolarHBondContact O-CB 3.33Å; L237-F241 WeakPolarHBondContact O-CD2 3.34Å; L237-F241 PolarHBondContact O-N 3.47Å; F241-I245 HydrophobicContact CD1-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.86Å; F241-I245 HydrophobicContact CG-CD1 4.36Å; F241-P246 VanDerWaalsContact O-CD 3.29Å; F241-P246 WeakPolarHBondContact O-CD 3.22Å; F241-P246 WeakPolarHBondContact O-CG 3.39Å
242L85.8Confident89.4Confident2 Ų244 Ų441%0.0124%0.244CC..Iπ-helixtrans-81.1-49.3176.9-158.865.8000108.7I123 Y124 T127 Q238 P246 Y315 W319I123-L242 HydrophobicContact CB-CD1 3.93Å; I123-L242 HydrophobicContact CG2-CD1 3.55Å; I123-L242 HydrophobicContact CG2-CD2 3.99Å; I123-L242 HydrophobicContact CG2-CG 4.02Å; Y124-L242 HydrophobicContact CD1-CB 4.15Å; Y124-L242 HydrophobicContact CD1-CD1 3.33Å; Y124-L242 HydrophobicContact CD1-CG 4.36Å; Y124-L242 HydrophobicContact CD2-CD1 4.45Å; Y124-L242 HydrophobicContact CE1-CB 3.68Å; Y124-L242 HydrophobicContact CE1-CD1 3.63Å; Y124-L242 HydrophobicContact CE1-CG 4.26Å; Y124-L242 HydrophobicContact CG-CD1 3.75Å; T127-L242 WeakPolarHBondContact CG2-O 3.39Å; Q238-L242 WeakPolarHBondContact O-CA 3.5Å; Q238-L242 WeakPolarHBondContact O-CB 3.24Å; Q238-L242 PolarHBondContact O-N 2.82Å; L242-P246 VanDerWaalsContact O-CG 3.28Å; L242-P246 WeakPolarHBondContact O-CG 3.46Å; L242-Y315 VanDerWaalsContact C-OH 3.26Å; L242-Y315 PolarHBondContact O-OH 2.92Å; L242-W319 HydrophobicContact CD2-CE3 4.31Å; L242-W319 HydrophobicContact CD2-CZ3 4.25Å
243Y87.3Confident89.5Confident43 Ų4343.3 Ų43.317%0.16924%0.238CC..Iπ-helixtrans-103.3-61.1-168.3-171.2-102.1000113.8A239 L247 Y315 A316 W319 M320 Q323A239-Y243 WeakPolarHBondContact O-CB 3.31Å; A239-Y243 PolarHBondContact O-N 3.47Å; Y243-L247 HydrophobicContact CE1-CD2 3.92Å; Y243-L247 WeakPolarHBondContact O-CB 3.43Å; Y243-L247 PolarHBondContact O-N 2.89Å; Y243-Y315 HydrophobicContact CD2-CE1 4.1Å; Y243-A316 PolarHBondContact OH-O 2.98Å; Y243-A316 VanDerWaalsContact OH-O 3.14Å; Y243-W319 HydrophobicContact CD2-CB 4.08Å; Y243-W319 HydrophobicContact CE2-CB 4.21Å; Y243-M320 HydrophobicContact CE2-CB 4.22Å; Y243-M320 WeakPolarHBondContact OH-CB 3.43Å; Y243-Q323 HydrophobicContact CD2-CG 4.41Å; Y243-Q323 HydrophobicContact CG-CG 4.41Å
244A90.1Very high89.3Confident35 Ų3539.4 Ų39.429%0.28921%0.214SC..Iπ-helixtrans-65.9-52.5-168.500000113.3A239 V240 L247 I248A239-A244 PolarHBondContact O-N 2.83Å; V240-A244 PolarHBondContact O-N 3.41Å; A244-L247 PolarHBondContact O-N 3.49Å; A244-I248 WeakPolarHBondContact O-CB 3.4Å; A244-I248 WeakPolarHBondContact O-CD1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 3.33Å
245I90.4Very high89.4Confident67 Ų6744 Ų4434%0.34424%0.238SC..Hα-helixtrans-59.9-52.2-178.2-71.9170.8000110.6V240 F241 L247 I248 V249V240-I245 HydrophobicContact CG1-CD1 3.71Å; V240-I245 HydrophobicContact CG1-CG1 4.05Å; V240-I245 WeakPolarHBondContact O-CB 3.22Å; V240-I245 PolarHBondContact O-N 2.83Å; F241-I245 HydrophobicContact CD1-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.86Å; F241-I245 HydrophobicContact CG-CD1 4.36Å; I245-L247 VanDerWaalsContact C-N 3.34Å; I245-L247 PolarHBondContact O-N 2.88Å; I245-I248 PolarHBondContact O-N 3.48Å; I245-V249 HydrophobicContact CG2-CG2 4.38Å; I245-V249 WeakPolarHBondContact O-CG2 3.32Å; I245-V249 PolarHBondContact O-N 3.46Å
246P88.7Confident89.5Confident0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-59.1-43177.1-33.143.4000113.8T127 S131 F241 L242 I248 V249 L250 Y315T127-P246 HydrophobicContact CG2-CB 3.22Å; T127-P246 HydrophobicContact CG2-CG 3.38Å; S131-P246 WeakPolarHBondContact OG-CA 3.36Å; S131-P246 WeakPolarHBondContact OG-CB 3.33Å; F241-P246 VanDerWaalsContact O-CD 3.29Å; F241-P246 WeakPolarHBondContact O-CD 3.22Å; F241-P246 WeakPolarHBondContact O-CG 3.39Å; L242-P246 VanDerWaalsContact O-CG 3.28Å; L242-P246 WeakPolarHBondContact O-CG 3.46Å; P246-I248 VanDerWaalsContact C-N 3.34Å; P246-I248 PolarHBondContact O-N 2.92Å; P246-V249 PolarHBondContact O-N 2.96Å; P246-L250 WeakPolarHBondContact O-CB 3.26Å; P246-L250 WeakPolarHBondContact O-CG 3.47Å; P246-L250 PolarHBondContact O-N 3.26Å; P246-Y315 HydrophobicContact CB-CE1 4.44Å
247L88.7Confident89.4Confident35 Ų3545.2 Ų45.218%0.18324%0.237CC..Hα-helixtrans-61-44.4177.8-17661.7000111.5Y243 A244 I245 L250 I251 A316Y243-L247 HydrophobicContact CE1-CD2 3.92Å; Y243-L247 WeakPolarHBondContact O-CB 3.43Å; Y243-L247 PolarHBondContact O-N 2.89Å; A244-L247 PolarHBondContact O-N 3.49Å; I245-L247 VanDerWaalsContact C-N 3.34Å; I245-L247 PolarHBondContact O-N 2.88Å; L247-L250 PolarHBondContact O-N 3.05Å; L247-I251 HydrophobicContact CD1-CD1 4.05Å; L247-I251 HydrophobicContact CD1-CG1 4.38Å; L247-I251 HydrophobicContact CG-CD1 3.87Å; L247-I251 WeakPolarHBondContact O-CB 3.38Å; L247-I251 VanDerWaalsContact O-CG1 3.25Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.26Å; L247-A316 HydrophobicContact CD1-CB 3.76Å
248I92Very high89.4Confident104 Ų10444.7 Ų44.753%0.53324%0.237SC..Hα-helixtrans-60.6-48.1175.8-69.8163.9000110.6A244 I245 P246 L250 I251 V252A244-I248 WeakPolarHBondContact O-CB 3.4Å; A244-I248 WeakPolarHBondContact O-CD1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 3.33Å; I245-I248 PolarHBondContact O-N 3.48Å; P246-I248 VanDerWaalsContact C-N 3.34Å; P246-I248 PolarHBondContact O-N 2.92Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.4Å; I248-I251 PolarHBondContact O-N 3.27Å; I248-V252 HydrophobicContact CG2-CG2 4.25Å; I248-V252 WeakPolarHBondContact O-CB 3.35Å; I248-V252 VanDerWaalsContact O-CG2 3.26Å; I248-V252 WeakPolarHBondContact O-CG2 3.15Å; I248-V252 PolarHBondContact O-N 2.95Å
249V92Very high89.5Confident38 Ų3849.5 Ų49.523%0.2326%0.259CS..Hα-helixtrans-59.2-47.1178.11720000110.3V135 I245 P246 I251 V252 Y253V135-V249 HydrophobicContact CG2-CG1 3.98Å; I245-V249 HydrophobicContact CG2-CG2 4.38Å; I245-V249 WeakPolarHBondContact O-CG2 3.32Å; I245-V249 PolarHBondContact O-N 3.46Å; P246-V249 PolarHBondContact O-N 2.96Å; V249-I251 PolarHBondContact O-N 3.2Å; V249-V252 PolarHBondContact O-N 3.39Å; V249-Y253 HydrophobicContact CG1-CD2 3.84Å; V249-Y253 HydrophobicContact CG1-CE2 4.18Å; V249-Y253 WeakPolarHBondContact O-CB 3.48Å; V249-Y253 VanDerWaalsContact O-CD2 3.31Å; V249-Y253 WeakPolarHBondContact O-CD2 3.38Å; V249-Y253 PolarHBondContact O-N 3.29Å
250L88.7Confident89.5Confident1 Ų150 Ų501%0.00526%0.258CS..Hα-helixtrans-60.7-47.3178.7-69.3173.2000111.8I130 A134 P246 L247 I248 C254 A312I130-L250 HydrophobicContact CG2-CD1 4.02Å; I130-L250 HydrophobicContact CG2-CD2 3.81Å; A134-L250 HydrophobicContact CB-CD2 3.65Å; P246-L250 WeakPolarHBondContact O-CB 3.26Å; P246-L250 WeakPolarHBondContact O-CG 3.47Å; P246-L250 PolarHBondContact O-N 3.26Å; L247-L250 PolarHBondContact O-N 3.05Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.4Å; L250-C254 WeakPolarHBondContact O-CB 3.42Å; L250-C254 PolarHBondContact O-N 2.84Å; L250-C254 PolarHBondContact O-SG 2.86Å; L250-A312 HydrophobicContact CB-CB 3.99Å; L250-A312 HydrophobicContact CD1-CB 3.98Å; L250-A312 HydrophobicContact CG-CB 4.45Å
251I89.9Confident89.4Confident86 Ų8648.7 Ų48.744%0.44125%0.248SC..Hα-helixtrans-61-50.9178.2-69.7167.9000110.5L247 I248 V249 Y253 C254 L255L247-I251 HydrophobicContact CD1-CD1 4.05Å; L247-I251 HydrophobicContact CD1-CG1 4.38Å; L247-I251 HydrophobicContact CG-CD1 3.87Å; L247-I251 WeakPolarHBondContact O-CB 3.38Å; L247-I251 VanDerWaalsContact O-CG1 3.25Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.26Å; I248-I251 PolarHBondContact O-N 3.27Å; V249-I251 PolarHBondContact O-N 3.2Å; I251-Y253 PolarHBondContact O-N 3.42Å; I251-C254 PolarHBondContact O-N 3.41Å; I251-L255 HydrophobicContact CG2-CD1 3.83Å; I251-L255 HydrophobicContact CG2-CG 4.35Å; I251-L255 WeakPolarHBondContact O-CB 3.37Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.17Å; I251-L255 PolarHBondContact O-N 3.27Å
252V92.8Very high89.5Confident56 Ų5652.3 Ų52.334%0.33926%0.264SS..Hα-helixtrans-58.1-48.4-178.4167.60000111.2I248 V249 L255 K256I248-V252 HydrophobicContact CG2-CG2 4.25Å; I248-V252 WeakPolarHBondContact O-CB 3.35Å; I248-V252 VanDerWaalsContact O-CG2 3.26Å; I248-V252 WeakPolarHBondContact O-CG2 3.15Å; I248-V252 PolarHBondContact O-N 2.95Å; V249-V252 PolarHBondContact O-N 3.39Å; V252-L255 PolarHBondContact O-N 3.44Å; V252-K256 HydrophobicContact CG1-CD 4.05Å; V252-K256 WeakPolarHBondContact O-CB 2.89Å; V252-K256 WeakPolarHBondContact O-CG 3.13Å; V252-K256 PolarHBondContact O-N 3.43Å
253Y91.7Very high89.6Confident42 Ų4255.5 Ų55.517%0.16528%0.279CS..Hα-helixtrans-76.2-30.6-177.2-79.4-84.6000112.9V135 Y138 Y139 V249 I251 L257V135-Y253 HydrophobicContact CB-CD1 4.48Å; V135-Y253 HydrophobicContact CB-CE1 4.32Å; V135-Y253 HydrophobicContact CG1-CE1 4.03Å; V135-Y253 HydrophobicContact CG2-CD1 4.23Å; V135-Y253 HydrophobicContact CG2-CD2 3.68Å; V135-Y253 HydrophobicContact CG2-CE1 4.09Å; V135-Y253 HydrophobicContact CG2-CE2 3.54Å; V135-Y253 HydrophobicContact CG2-CG 4.02Å; Y138-Y253 AromaticContact CD1-CD1 3.96Å; Y138-Y253 HydrophobicContact CD1-CD1 3.96Å; Y138-Y253 AromaticContact CD1-CE1 3.89Å; Y138-Y253 HydrophobicContact CD1-CE1 3.89Å; Y138-Y253 AromaticContact CG-CD1 3.91Å; Y138-Y253 HydrophobicContact CG-CD1 3.91Å; Y138-Y253 HydrophobicContact CG-CE1 4.32Å; Y139-Y253 HydrophobicContact CE2-CE1 4.18Å; V249-Y253 HydrophobicContact CG1-CD2 3.84Å; V249-Y253 HydrophobicContact CG1-CE2 4.18Å; V249-Y253 WeakPolarHBondContact O-CB 3.48Å; V249-Y253 VanDerWaalsContact O-CD2 3.31Å; V249-Y253 WeakPolarHBondContact O-CD2 3.38Å; V249-Y253 PolarHBondContact O-N 3.29Å; I251-Y253 PolarHBondContact O-N 3.42Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.38Å
254C88.3Confident89.5Confident3 Ų355.4 Ų55.42%0.0228%0.281CS..Hα-helixtrans-63.4-43.1169.5-78.10000111.8L250 I251 T258 F309L250-C254 WeakPolarHBondContact O-CB 3.42Å; L250-C254 PolarHBondContact O-N 2.84Å; L250-C254 PolarHBondContact O-SG 2.86Å; I251-C254 PolarHBondContact O-N 3.41Å; C254-T258 WeakPolarHBondContact O-CB 3.22Å; C254-T258 PolarHBondContact O-N 3.46Å; C254-T258 PolarHBondContact O-OG1 3.12Å; C254-F309 HydrophobicContact CB-CD1 4.41Å; C254-F309 HydrophobicContact CB-CE1 3.83Å; C254-F309 HydrophobicContact CB-CE2 4.05Å; C254-F309 HydrophobicContact CB-CZ 3.64Å
255L90.7Very high89.2Confident107 Ų10756.3 Ų56.356%0.5628%0.279SS*.Hα-helixtrans-65.8-49.3175.9-70.7175.2000111.6I251 V252 L257 T258 H259I251-L255 HydrophobicContact CG2-CD1 3.83Å; I251-L255 HydrophobicContact CG2-CG 4.35Å; I251-L255 WeakPolarHBondContact O-CB 3.37Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.17Å; I251-L255 PolarHBondContact O-N 3.27Å; V252-L255 PolarHBondContact O-N 3.44Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.92Å; L255-T258 PolarHBondContact O-N 2.97Å; L255-H259 WeakPolarHBondContact O-CB 3.49Å; L255-H259 PolarHBondContact O-N 3.48Å
256K91.6Very high89.1Confident97 Ų9758.3 Ų58.342%0.42229%0.287SS..Hα-helixtrans-56.7-46176.5-78.2-179.4174177.10111.8Y138 V252 F260Y138-K256 HydrophobicContact CD2-CB 3.96Å; Y138-K256 HydrophobicContact CE2-CB 3.64Å; V252-K256 HydrophobicContact CG1-CD 4.05Å; V252-K256 WeakPolarHBondContact O-CB 2.89Å; V252-K256 WeakPolarHBondContact O-CG 3.13Å; V252-K256 PolarHBondContact O-N 3.43Å; K256-F260 VanDerWaalsContact O-CB 3.31Å; K256-F260 WeakPolarHBondContact O-CB 3.35Å; K256-F260 PolarHBondContact O-N 3.05Å
257L88.7Confident89Confident2 Ų264.7 Ų64.71%0.0131%0.311CS..Hα-helixtrans-63.9-43.9178.7179.359000111.8Y138 V141 Y253 L255 F260 L261 I305 L308Y138-L257 HydrophobicContact CD2-CB 4.21Å; V141-L257 HydrophobicContact CB-CD1 3.98Å; V141-L257 HydrophobicContact CG1-CD1 3.98Å; V141-L257 HydrophobicContact CG2-CD1 4.1Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.38Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.92Å; L257-F260 PolarHBondContact O-N 3Å; L257-L261 HydrophobicContact CD1-CD1 3.67Å; L257-L261 HydrophobicContact CD1-CG 4.18Å; L257-L261 HydrophobicContact CG-CD1 3.94Å; L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 2.92Å; L257-I305 HydrophobicContact CD2-CG1 3.74Å; L257-I305 HydrophobicContact CG-CG1 3.9Å; L257-L308 HydrophobicContact CD2-CD1 3.79Å
258T87.7Confident88.7Confident57 Ų5767 Ų6735%0.3532%0.323SS..Hα-helixtrans-64.3-46.4178.8-580000111.3C254 L255 L261 K262C254-T258 WeakPolarHBondContact O-CB 3.22Å; C254-T258 PolarHBondContact O-N 3.46Å; C254-T258 PolarHBondContact O-OG1 3.12Å; L255-T258 PolarHBondContact O-N 2.97Å; T258-L261 PolarHBondContact O-N 3.37Å; T258-K262 WeakPolarHBondContact O-CB 3.34Å; T258-K262 PolarHBondContact O-N 2.83Å
259H90.2Very high88.4Confident124 Ų12466.4 Ų66.457%0.57432%0.318SS*.Hα-helixtrans-59.9-49.2177.1-179.5-90000111.5L255 L261 K262 Q263L255-H259 WeakPolarHBondContact O-CB 3.49Å; L255-H259 PolarHBondContact O-N 3.48Å; H259-L261 VanDerWaalsContact C-N 3.32Å; H259-L261 PolarHBondContact O-N 3.48Å; H259-K262 PolarHBondContact O-N 3.26Å; H259-Q263 WeakPolarHBondContact O-CB 3.2Å; H259-Q263 PolarHBondContact O-N 3.23Å
260F89.2Confident88.1Confident34 Ų3471.5 Ų71.515%0.14934%0.339CS..Hα-helixtrans-59.4-42.7178.6-179.2-103.8000112.3Y138 V141 V142 K256 L257 Q263 N264Y138-F260 HydrophobicContact CE2-CB 4.49Å; V141-F260 HydrophobicContact CG1-CD1 3.82Å; V141-F260 HydrophobicContact CG1-CE1 3.78Å; V141-F260 WeakPolarHBondContact O-CE1 3.5Å; V142-F260 HydrophobicContact CB-CE1 4.16Å; V142-F260 HydrophobicContact CB-CE2 4.31Å; V142-F260 HydrophobicContact CB-CZ 3.97Å; V142-F260 HydrophobicContact CG1-CE2 3.97Å; V142-F260 HydrophobicContact CG1-CZ 4Å; V142-F260 HydrophobicContact CG2-CD1 3.69Å; V142-F260 HydrophobicContact CG2-CD2 3.9Å; V142-F260 HydrophobicContact CG2-CE1 3.66Å; V142-F260 HydrophobicContact CG2-CE2 3.9Å; V142-F260 HydrophobicContact CG2-CG 3.79Å; V142-F260 HydrophobicContact CG2-CZ 3.77Å; K256-F260 VanDerWaalsContact O-CB 3.31Å; K256-F260 WeakPolarHBondContact O-CB 3.35Å; K256-F260 PolarHBondContact O-N 3.05Å; L257-F260 PolarHBondContact O-N 3Å; F260-Q263 PolarHBondContact O-N 2.94Å; F260-N264 WeakPolarHBondContact CD1-ND2 3Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.24Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.3Å; F260-N264 VanDerWaalsContact O-CB 3.31Å; F260-N264 WeakPolarHBondContact O-CB 3.29Å; F260-N264 PolarHBondContact O-N 3.09Å
261L86.3Confident88Confident28 Ų2879 Ų7915%0.14737%0.372CS..Hα-helixtrans-69.1-37.7179.6-75.5169.9000112.6V141 L257 T258 H259 E265 N301 I305V141-L261 HydrophobicContact CG1-CD2 3.69Å; V141-L261 HydrophobicContact CG1-CG 4.15Å; L257-L261 HydrophobicContact CD1-CD1 3.67Å; L257-L261 HydrophobicContact CD1-CG 4.18Å; L257-L261 HydrophobicContact CG-CD1 3.94Å; L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 2.92Å; T258-L261 PolarHBondContact O-N 3.37Å; H259-L261 VanDerWaalsContact C-N 3.32Å; H259-L261 PolarHBondContact O-N 3.48Å; L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 PolarHBondContact O-N 3.4Å; L261-N301 HydrophobicContact CD1-CB 3.88Å; L261-N301 HydrophobicContact CD2-CB 3.8Å; L261-N301 VanDerWaalsContact CD2-ND2 3.31Å; L261-N301 WeakPolarHBondContact CD2-ND2 3.36Å; L261-I305 HydrophobicContact CB-CD1 4.47Å; L261-I305 HydrophobicContact CD1-CD1 3.18Å; L261-I305 HydrophobicContact CD1-CG1 3.76Å; L261-I305 HydrophobicContact CG-CD1 4.41Å
262K87.8Confident87.7Confident138 Ų13879.8 Ų79.860%0.637%0.369SS*.Hα-helixtrans-62.8-47.2172.9-174.4177.7179.4-178.90111.2T258 H259 N264 E265 Q266T258-K262 WeakPolarHBondContact O-CB 3.34Å; T258-K262 PolarHBondContact O-N 2.83Å; H259-K262 PolarHBondContact O-N 3.26Å; K262-N264 PolarHBondContact O-N 3.09Å; K262-E265 PolarHBondContact O-N 2.88Å; K262-Q266 WeakPolarHBondContact O-CG 3.32Å; K262-Q266 PolarHBondContact O-N 2.77Å; K262-Q266 VanDerWaalsContact O-N 3.13Å
263Q88.3Confident87.3Confident68 Ų6881 Ų8132%0.31838%0.377SS..Hα-helixtrans-64.3-40.6179-168.5178.925.400112H259 F260 Q266 R267H259-Q263 WeakPolarHBondContact O-CB 3.2Å; H259-Q263 PolarHBondContact O-N 3.23Å; F260-Q263 PolarHBondContact O-N 2.94Å; Q263-Q266 PolarHBondContact O-N 2.89Å; Q263-R267 WeakPolarHBondContact O-CG 3.17Å; Q263-R267 PolarHBondContact O-N 3.43Å
264N85.3Confident87.1Confident41 Ų4183.3 Ų83.322%0.21939%0.391CS..Hα-helixtrans-67.3-37.2175.8-84.2-9.1000112.8F260 K262 Q266 R267 I268F260-N264 WeakPolarHBondContact CD1-ND2 3Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.24Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.3Å; F260-N264 VanDerWaalsContact O-CB 3.31Å; F260-N264 WeakPolarHBondContact O-CB 3.29Å; F260-N264 PolarHBondContact O-N 3.09Å; K262-N264 PolarHBondContact O-N 3.09Å; N264-Q266 VanDerWaalsContact C-N 3.33Å; N264-R267 PolarHBondContact O-N 3.2Å; N264-I268 WeakPolarHBondContact O-CB 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.25Å; N264-I268 WeakPolarHBondContact O-CG1 3.42Å; N264-I268 PolarHBondContact O-N 3.02Å
265E85.4Confident86.9Confident55 Ų5586.8 Ų86.826%0.25742%0.416SS..Hα-helixtrans-59.8-46.8174.7-172.5-179.4160.700110.9L261 K262 R267 I268 Q269 R298L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 PolarHBondContact O-N 3.4Å; K262-E265 PolarHBondContact O-N 2.88Å; E265-R267 PolarHBondContact O-N 3.12Å; E265-I268 PolarHBondContact O-N 3.35Å; E265-Q269 HydrophobicContact CG-CG 4.48Å; E265-Q269 WeakPolarHBondContact O-CB 3.27Å; E265-Q269 WeakPolarHBondContact O-CG 3.25Å; E265-Q269 PolarHBondContact O-N 3.21Å; E265-Q269 PolarHBondContact OE1-NE2 3.5Å; E265-R298 IonicContact OE1-CZ 3.97Å; E265-R298 IonicContact OE1-NE 3.19Å; E265-R298 IonicContact OE1-NH1 3.51Å; E265-R298 PolarHBondContact OE1-NH1 2.87Å; E265-R298 IonicContact OE1-NH2 3.76Å; E265-R298 PolarHBondContact OE1-NH2 2.9Å; E265-R298 IonicContact OE2-CZ 2.83Å; E265-R298 IonicContact OE2-NE 2.73Å; E265-R298 PolarHBondContact OE2-NE 2.99Å; E265-R298 IonicContact OE2-NH1 3.63Å; E265-R298 IonicContact OE2-NH2 2.89Å; E265-R298 PolarHBondContact OE2-NH2 3.39Å
266Q87.2Confident86.4Confident109 Ų10988.8 Ų88.851%0.50942%0.42SS..Hα-helixtrans-59.6-46.2177.1-69.8172.7-26.500111.9K262 Q263 N264 I268 Q269 Q270K262-Q266 WeakPolarHBondContact O-CG 3.32Å; K262-Q266 PolarHBondContact O-N 2.77Å; K262-Q266 VanDerWaalsContact O-N 3.13Å; Q263-Q266 PolarHBondContact O-N 2.89Å; N264-Q266 VanDerWaalsContact C-N 3.33Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 3.08Å; Q266-Q269 PolarHBondContact O-N 3.32Å; Q266-Q270 WeakPolarHBondContact O-CB 3.45Å; Q266-Q270 PolarHBondContact O-N 2.85Å
267R86.2Confident86Confident134 Ų13488.8 Ų88.851%0.50642%0.421SS..Hα-helixtrans-61.4-40.1176.8-72.3175.9179.4-179.1-0.6112.5Q263 N264 E265 K271Q263-R267 WeakPolarHBondContact O-CG 3.17Å; Q263-R267 PolarHBondContact O-N 3.43Å; N264-R267 PolarHBondContact O-N 3.2Å; E265-R267 PolarHBondContact O-N 3.12Å; R267-K271 WeakPolarHBondContact O-CG 3.33Å; R267-K271 PolarHBondContact O-N 2.94Å; R267-K271 VanDerWaalsContact O-N 3.12Å
268I82.5Confident85.7Confident84 Ų8495 Ų9543%0.43145%0.448SS..Hα-helixtrans-68.5-42.4177.4-69.9167.1000110.5N264 E265 Q266 K271 R272N264-I268 WeakPolarHBondContact O-CB 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.25Å; N264-I268 WeakPolarHBondContact O-CG1 3.42Å; N264-I268 PolarHBondContact O-N 3.02Å; E265-I268 PolarHBondContact O-N 3.35Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 3.08Å; I268-K271 PolarHBondContact O-N 3.14Å; I268-R272 WeakPolarHBondContact O-CG 3.4Å; I268-R272 PolarHBondContact O-N 2.94Å
269Q85.2Confident85.3Confident91 Ų9196.9 Ų96.943%0.42546%0.456SS..Hα-helixtrans-61.6-44.9176.6-75.8177.7-8.600111.4E265 Q266 K271 R272 V273E265-Q269 HydrophobicContact CG-CG 4.48Å; E265-Q269 WeakPolarHBondContact O-CB 3.27Å; E265-Q269 WeakPolarHBondContact O-CG 3.25Å; E265-Q269 PolarHBondContact O-N 3.21Å; E265-Q269 PolarHBondContact OE1-NE2 3.5Å; Q266-Q269 PolarHBondContact O-N 3.32Å; Q269-K271 PolarHBondContact O-N 3.43Å; Q269-R272 WeakPolarHBondContact O-CB 3.45Å; Q269-R272 PolarHBondContact O-N 2.89Å; Q269-R272 VanDerWaalsContact O-N 3.11Å; Q269-V273 WeakPolarHBondContact O-CG2 3.26Å; Q269-V273 PolarHBondContact O-N 2.96Å
270Q87.3Confident84.9Confident144 Ų14497.9 Ų97.967%0.67347%0.465SS*.Hα-helixtrans-60.8-44.9177.1-169.4178.99.900112.1Q266 R272 V273 L274Q266-Q270 WeakPolarHBondContact O-CB 3.45Å; Q266-Q270 PolarHBondContact O-N 2.85Å; Q270-R272 VanDerWaalsContact C-N 3.27Å; Q270-R272 PolarHBondContact O-N 3.43Å; Q270-V273 PolarHBondContact O-N 3.45Å; Q270-L274 WeakPolarHBondContact O-CB 3.47Å; Q270-L274 PolarHBondContact O-N 3.35Å
271K85.6Confident84.3Confident160 Ų160106.4 Ų106.470%0.69650%0.496SS*.Hα-helixtrans-61.1-34.7174.8-75.7-177177.3-1730112.6R267 I268 Q269 S275R267-K271 WeakPolarHBondContact O-CG 3.33Å; R267-K271 PolarHBondContact O-N 2.94Å; R267-K271 VanDerWaalsContact O-N 3.12Å; I268-K271 PolarHBondContact O-N 3.14Å; Q269-K271 PolarHBondContact O-N 3.43Å; K271-S275 VanDerWaalsContact O-CB 3.26Å; K271-S275 WeakPolarHBondContact O-CB 3.45Å; K271-S275 PolarHBondContact O-N 2.98Å
272R83.3Confident84Confident101 Ų101109.7 Ų109.738%0.38152%0.52SS..Hα-helixtrans-69.8-43.1175.8-73.6178.3-166.4179.98.5112.7I268 Q269 Q270 S275 K276 S294I268-R272 WeakPolarHBondContact O-CG 3.4Å; I268-R272 PolarHBondContact O-N 2.94Å; Q269-R272 WeakPolarHBondContact O-CB 3.45Å; Q269-R272 PolarHBondContact O-N 2.89Å; Q269-R272 VanDerWaalsContact O-N 3.11Å; Q270-R272 VanDerWaalsContact C-N 3.27Å; Q270-R272 PolarHBondContact O-N 3.43Å; R272-S275 PolarHBondContact O-N 3.4Å; R272-K276 WeakPolarHBondContact O-CB 3.31Å; R272-K276 WeakPolarHBondContact O-CG 3.29Å; R272-K276 PolarHBondContact O-N 3Å; R272-S294 PolarHBondContact NH2-OG 3.44Å
273V85.5Confident82.6Confident83 Ų83106.6 Ų106.650%0.50352%0.52SS..Hα-helixtrans-59.7-50.1176.1173.60000109.3Q269 Q270 S275 K276 E277Q269-V273 WeakPolarHBondContact O-CG2 3.26Å; Q269-V273 PolarHBondContact O-N 2.96Å; Q270-V273 PolarHBondContact O-N 3.45Å; V273-S275 VanDerWaalsContact C-N 3.34Å; V273-S275 PolarHBondContact O-N 3.41Å; V273-K276 PolarHBondContact O-N 3.41Å; V273-K276 VanDerWaalsContact O-N 3.14Å; V273-E277 WeakPolarHBondContact O-CG 3.42Å; V273-E277 PolarHBondContact O-N 2.73Å
274L86.6Confident80.9Confident89 Ų89109.5 Ų109.547%0.46654%0.543SS..Hα-helixtrans-60.9-39.9177.5-174.665.9000112.9Q270 E277 K278Q270-L274 WeakPolarHBondContact O-CB 3.47Å; Q270-L274 PolarHBondContact O-N 3.35Å; L274-E277 PolarHBondContact O-N 3.23Å; L274-K278 WeakPolarHBondContact O-CB 3.3Å; L274-K278 WeakPolarHBondContact O-CG 3.26Å; L274-K278 PolarHBondContact O-N 3.24Å
275S83.5Confident79.1Confident76 Ų76113.4 Ų113.453%0.53157%0.568SS.*Hα-helixtrans-66.5-39.2175.8-174.50000112.3K271 R272 V273 K278 L279K271-S275 VanDerWaalsContact O-CB 3.26Å; K271-S275 WeakPolarHBondContact O-CB 3.45Å; K271-S275 PolarHBondContact O-N 2.98Å; R272-S275 PolarHBondContact O-N 3.4Å; V273-S275 VanDerWaalsContact C-N 3.34Å; V273-S275 PolarHBondContact O-N 3.41Å; S275-K278 PolarHBondContact O-N 3.24Å; S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 PolarHBondContact O-N 3.25Å
276K81.9Confident77.5Confident149 Ų149118.9 Ų118.965%0.64859%0.594SS**Hα-helixtrans-66.2-42.5175.3-80.9-171.3173.6-167.70111.3R272 V273 L279 L280R272-K276 WeakPolarHBondContact O-CB 3.31Å; R272-K276 WeakPolarHBondContact O-CG 3.29Å; R272-K276 PolarHBondContact O-N 3Å; V273-K276 PolarHBondContact O-N 3.41Å; V273-K276 VanDerWaalsContact O-N 3.14Å; K276-L279 PolarHBondContact O-N 3.16Å; K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 2.85Å
277E83.2Confident75.8Confident97 Ų97118.8 Ų118.845%0.45360%0.601SS.*Hα-helixtrans-61.7-43.2174.9-74.5175.3-18000111.9V273 L274 L280 R281V273-E277 WeakPolarHBondContact O-CG 3.42Å; V273-E277 PolarHBondContact O-N 2.73Å; L274-E277 PolarHBondContact O-N 3.23Å; E277-L280 PolarHBondContact O-N 2.59Å; E277-R281 VanDerWaalsContact O-CG 3.3Å; E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 3.17Å; E277-R281 VanDerWaalsContact O-N 3.09Å
278K82.4Confident74Confident132 Ų132119.4 Ų119.457%0.57461%0.614SS**Hα-helixtrans-62.9-45.1173.8-75.9-176.5179.5-170.80112L274 S275 R281 C282L274-K278 WeakPolarHBondContact O-CB 3.3Å; L274-K278 WeakPolarHBondContact O-CG 3.26Å; L274-K278 PolarHBondContact O-N 3.24Å; S275-K278 PolarHBondContact O-N 3.24Å; K278-R281 PolarHBondContact O-N 3.19Å; K278-C282 PolarHBondContact O-N 2.86Å; K278-C282 PolarHBondContact O-SG 3.26Å; K278-C282 VanDerWaalsContact O-SG 3.33Å
279L78.7Confident72.5Confident97 Ų97121.2 Ų121.251%0.50863%0.63SS.*Hα-helixtrans-63.2-42.9178.9-166.479.3000111.2S275 K276 R281 C282 A283S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 PolarHBondContact O-N 3.25Å; K276-L279 PolarHBondContact O-N 3.16Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 2.79Å; L279-C282 CarbonylContact O-C 3.57Å; L279-C282 PolarHBondContact O-N 2.8Å; L279-C282 VanDerWaalsContact O-N 3.1Å; L279-A283 WeakPolarHBondContact O-CA 3.24Å; L279-A283 WeakPolarHBondContact O-CB 3.38Å; L279-A283 PolarHBondContact O-N 3.18Å
280L81Confident70.9Confident146 Ų146122.3 Ų122.376%0.76464%0.643SS**Hα-helixtrans-62.5-36.5177.6-160.285.8000111.8K276 E277 C282K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 2.85Å; E277-L280 PolarHBondContact O-N 2.59Å; L280-C282 VanDerWaalsContact C-N 3.34Å
281R78Confident69.2Low212 Ų212120.2 Ų120.280%0.864%0.635SS**Hα-helixtrans-70.3-28.9174.2-72.1176.8-172.5-168.23.3113.2E277 K278 L279E277-R281 VanDerWaalsContact O-CG 3.3Å; E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 3.17Å; E277-R281 VanDerWaalsContact O-N 3.09Å; K278-R281 PolarHBondContact O-N 3.19Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 2.79Å
282C79.4Confident67.3Low97 Ų97120.8 Ų120.866%0.65564%0.64SS**THydrogen-bonded Turntrans-100.14.1-178.1-63.20000113.7K278 L279 L280 T284K278-C282 PolarHBondContact O-N 2.86Å; K278-C282 PolarHBondContact O-SG 3.26Å; K278-C282 VanDerWaalsContact O-SG 3.33Å; L279-C282 CarbonylContact O-C 3.57Å; L279-C282 PolarHBondContact O-N 2.8Å; L279-C282 VanDerWaalsContact O-N 3.1Å; L280-C282 VanDerWaalsContact C-N 3.34Å; C282-T284 PolarHBondContact O-N 3.07Å
283A57.8Low66Low74 Ų74120.2 Ų120.261%0.61265%0.652SS**  trans-66.287.5-159.900000114.2L279L279-A283 WeakPolarHBondContact O-CA 3.24Å; L279-A283 WeakPolarHBondContact O-CB 3.38Å; L279-A283 PolarHBondContact O-N 3.18Å
284T52.5Low64.9Low129 Ų129117.6 Ų117.679%0.79164%0.637SS**SBend-88.1148.8126.846.20000109.7C282C282-T284 PolarHBondContact O-N 3.07Å
285T48.3Very low63.9Low123 Ų123116.8 Ų116.876%0.75564%0.639SS**SBendtrans-48138.5-163.1-45.10000118.3
286E51.1Low63.2Low170 Ų170115.2 Ų115.279%0.79464%0.635SS**  trans70.7119.6152-79.4170.9-165.300123.1
287T51.8Low62.7Low106 Ų106111.1 Ų111.165%0.6562%0.622SS**  trans-165.9110.21367.30000111.4
288N48.4Very low62.1Low148 Ų148112.6 Ų112.679%0.79162%0.624SS**  trans-101.711.6-175.3-100-19.9000115.4
289T50.3Low61.4Low122 Ų122108.4 Ų108.475%0.74861%0.611SS**THydrogen-bonded Turntrans-88.8-8.2-163.343.30000117
290T53Low61.1Low114 Ų114111.1 Ų111.170%0.69961%0.614SS**THydrogen-bonded Turntrans-91.6-10-173.757.40000115.7S293T290-S293 PolarHBondContact O-OG 2.83Å
291L50.1Low60.9Low100 Ų100105.1 Ų105.152%0.52458%0.583SS.*Hα-helixtrans-72.7-36.7-171.9-99.1143.3000114.3S293 S294L291-S293 PolarHBondContact O-N 3.49Å; L291-S294 PolarHBondContact O-OG 2.92Å
292Q47.2Very low60.8Low171 Ų17198 Ų9880%0.79956%0.563SS**Hα-helixtrans-68.6-34.2-172.7-77.6-177.8-10.800114.4S294 S295Q292-S294 VanDerWaalsContact C-N 3.28Å; Q292-S294 PolarHBondContact O-N 2.9Å; Q292-S295 PolarHBondContact O-OG 2.7Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å
293S56.1Low60.8Low90 Ų9098.2 Ų98.263%0.62955%0.55SS**Hα-helixtrans-65.3-34.4-175.667.60000112.5T290 L291 V297T290-S293 PolarHBondContact O-OG 2.83Å; L291-S293 PolarHBondContact O-N 3.49Å; S293-V297 WeakPolarHBondContact O-CG2 3.44Å; S293-V297 PolarHBondContact O-N 2.67Å
294S62.1Low61.6Low27 Ų2796 Ų9619%0.18953%0.532CS..Hα-helixtrans-76.8-37.8-172.971.30000114.5R272 L291 Q292 G296 V297 R298R272-S294 PolarHBondContact NH2-OG 3.44Å; L291-S294 PolarHBondContact O-OG 2.92Å; Q292-S294 VanDerWaalsContact C-N 3.28Å; Q292-S294 PolarHBondContact O-N 2.9Å; S294-G296 VanDerWaalsContact C-N 3.31Å; S294-V297 PolarHBondContact O-N 3.15Å; S294-R298 PolarHBondContact O-N 3.4Å
295S64.5Low62.9Low73 Ų7391 Ų9151%0.5150%0.5SS..Hα-helixtrans-67.5-36.9178.960.40000110.5Q292 R298 S299Q292-S295 PolarHBondContact O-OG 2.7Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å; S295-R298 PolarHBondContact O-N 3.29Å; S295-S299 WeakPolarHBondContact O-CB 3.46Å; S295-S299 PolarHBondContact O-N 2.77Å
296G69.9Low64.5Low42 Ų4291.5 Ų91.543%0.43349%0.492SS..Hα-helixtrans-60.1-48173.500000113S294 S299 R300S294-G296 VanDerWaalsContact C-N 3.31Å; G296-S299 PolarHBondContact O-N 2.92Å; G296-R300 WeakPolarHBondContact O-CB 3.39Å; G296-R300 PolarHBondContact O-N 2.7Å
297V70.4Confident66.1Low63 Ų6384.5 Ų84.538%0.38246%0.46SS..Hα-helixtrans-63.6-44.9177.41760000111.3S293 S294 R300 N301S293-V297 WeakPolarHBondContact O-CG2 3.44Å; S293-V297 PolarHBondContact O-N 2.67Å; S294-V297 PolarHBondContact O-N 3.15Å; V297-R300 PolarHBondContact O-N 2.9Å; V297-N301 VanDerWaalsContact O-CG 3.29Å; V297-N301 PolarHBondContact O-N 3.35Å
298R70.3Confident67.4Low129 Ų12979.6 Ų79.649%0.48743%0.429SS..Hα-helixtrans-58.2-51.2176.2-176.9-179.8177.6171.75.3111.4E265 S294 S295 R300 N301 T302E265-R298 IonicContact OE1-CZ 3.97Å; E265-R298 IonicContact OE1-NE 3.19Å; E265-R298 IonicContact OE1-NH1 3.51Å; E265-R298 PolarHBondContact OE1-NH1 2.87Å; E265-R298 IonicContact OE1-NH2 3.76Å; E265-R298 PolarHBondContact OE1-NH2 2.9Å; E265-R298 IonicContact OE2-CZ 2.83Å; E265-R298 IonicContact OE2-NE 2.73Å; E265-R298 PolarHBondContact OE2-NE 2.99Å; E265-R298 IonicContact OE2-NH1 3.63Å; E265-R298 IonicContact OE2-NH2 2.89Å; E265-R298 PolarHBondContact OE2-NH2 3.39Å; S294-R298 PolarHBondContact O-N 3.4Å; S295-R298 PolarHBondContact O-N 3.29Å; R298-R300 VanDerWaalsContact C-N 3.28Å; R298-R300 PolarHBondContact O-N 3.37Å; R298-N301 PolarHBondContact O-N 2.92Å; R298-N301 VanDerWaalsContact O-N 3.16Å; R298-T302 PolarHBondContact O-N 3.4Å; R298-T302 PolarHBondContact O-OG1 3.39Å; R298-T302 VanDerWaalsContact O-OG1 3.09Å
299S69.1Low69.1Low44 Ų4476.5 Ų76.531%0.30841%0.409SS..Hα-helixtrans-58.4-40.7179-170.40000111.9S295 G296 R303S295-S299 WeakPolarHBondContact O-CB 3.46Å; S295-S299 PolarHBondContact O-N 2.77Å; G296-S299 PolarHBondContact O-N 2.92Å; S299-R303 VanDerWaalsContact O-CG 3.24Å; S299-R303 WeakPolarHBondContact O-CG 3.19Å; S299-R303 PolarHBondContact O-N 3.41Å; S299-R303 VanDerWaalsContact O-N 3.11Å; S299-R303 VanDerWaalsContact OG-CZ 3.22Å; S299-R303 PolarHBondContact OG-NH2 3.2Å; S299-R303 VanDerWaalsContact OG-NH2 3.1Å
300R72.9Confident70.9Confident153 Ų15372.1 Ų72.158%0.57739%0.385SS*.Hα-helixtrans-62.7-46.2175.8-173.6177.569.7-179.42112G296 V297 R298 R303 A304G296-R300 WeakPolarHBondContact O-CB 3.39Å; G296-R300 PolarHBondContact O-N 2.7Å; V297-R300 PolarHBondContact O-N 2.9Å; R298-R300 VanDerWaalsContact C-N 3.28Å; R298-R300 PolarHBondContact O-N 3.37Å; R300-R303 PolarHBondContact O-N 3.07Å; R300-A304 PolarHBondContact O-N 3.48Å
301N75Confident72.3Confident21 Ų2166.7 Ų66.711%0.11235%0.352CS..Hα-helixtrans-68-43-178.7-68.6-7000111.8L261 V297 R298 R303 A304 I305L261-N301 HydrophobicContact CD1-CB 3.88Å; L261-N301 HydrophobicContact CD2-CB 3.8Å; L261-N301 VanDerWaalsContact CD2-ND2 3.31Å; L261-N301 WeakPolarHBondContact CD2-ND2 3.36Å; V297-N301 VanDerWaalsContact O-CG 3.29Å; V297-N301 PolarHBondContact O-N 3.35Å; R298-N301 PolarHBondContact O-N 2.92Å; R298-N301 VanDerWaalsContact O-N 3.16Å; N301-R303 VanDerWaalsContact C-N 3.31Å; N301-R303 PolarHBondContact O-N 3.44Å; N301-A304 PolarHBondContact O-N 3.43Å; N301-I305 WeakPolarHBondContact O-CG1 3.5Å; N301-I305 PolarHBondContact O-N 3.44Å
302T75.8Confident73.8Confident61 Ų6162.4 Ų62.437%0.37433%0.331SS..Hα-helixtrans-59.8-40.7174.7-570000111.9R298 I305 K306R298-T302 PolarHBondContact O-N 3.4Å; R298-T302 PolarHBondContact O-OG1 3.39Å; R298-T302 VanDerWaalsContact O-OG1 3.09Å; T302-I305 PolarHBondContact O-N 3.14Å; T302-K306 HydrophobicContact CG2-CD 4.5Å; T302-K306 WeakPolarHBondContact O-CG 3.39Å; T302-K306 PolarHBondContact O-N 3.3Å
303R79.7Confident75.5Confident103 Ų10357.1 Ų57.139%0.38931%0.313SS..Hα-helixtrans-64.7-43175.6-73.3171.4-171.3151.78.7112S299 R300 N301 I305 K306 L307 K371S299-R303 VanDerWaalsContact O-CG 3.24Å; S299-R303 WeakPolarHBondContact O-CG 3.19Å; S299-R303 PolarHBondContact O-N 3.41Å; S299-R303 VanDerWaalsContact O-N 3.11Å; S299-R303 VanDerWaalsContact OG-CZ 3.22Å; S299-R303 PolarHBondContact OG-NH2 3.2Å; S299-R303 VanDerWaalsContact OG-NH2 3.1Å; R300-R303 PolarHBondContact O-N 3.07Å; N301-R303 VanDerWaalsContact C-N 3.31Å; N301-R303 PolarHBondContact O-N 3.44Å; R303-I305 VanDerWaalsContact C-N 3.34Å; R303-I305 PolarHBondContact O-N 2.92Å; R303-K306 PolarHBondContact O-N 3.07Å; R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 PolarHBondContact O-N 3.25Å; R303-K371 VanDerWaalsContact CZ-NZ 3.33Å
304A76.2Confident77Confident27 Ų2753.6 Ų53.622%0.22329%0.288CS..Hα-helixtrans-62.4-40.7177.500000112R300 N301 L307 L308R300-A304 PolarHBondContact O-N 3.48Å; N301-A304 PolarHBondContact O-N 3.43Å; A304-L307 WeakPolarHBondContact O-CB 3.33Å; A304-L307 PolarHBondContact O-N 3.01Å; A304-L308 WeakPolarHBondContact O-CG 3.34Å; A304-L308 PolarHBondContact O-N 3.23Å; A304-L308 VanDerWaalsContact O-N 3.08Å
305I78.6Confident78Confident25 Ų2552.6 Ų52.613%0.12828%0.281CS..Hα-helixtrans-61.3-50.8173.4-68.1163.6000111L257 L261 N301 T302 R303 L307 L308 F309L257-I305 HydrophobicContact CD2-CG1 3.74Å; L257-I305 HydrophobicContact CG-CG1 3.9Å; L261-I305 HydrophobicContact CB-CD1 4.47Å; L261-I305 HydrophobicContact CD1-CD1 3.18Å; L261-I305 HydrophobicContact CD1-CG1 3.76Å; L261-I305 HydrophobicContact CG-CD1 4.41Å; N301-I305 WeakPolarHBondContact O-CG1 3.5Å; N301-I305 PolarHBondContact O-N 3.44Å; T302-I305 PolarHBondContact O-N 3.14Å; R303-I305 VanDerWaalsContact C-N 3.34Å; R303-I305 PolarHBondContact O-N 2.92Å; I305-L307 PolarHBondContact O-N 2.85Å; I305-L308 PolarHBondContact O-N 3.27Å; I305-L308 VanDerWaalsContact O-N 3.09Å; I305-F309 HydrophobicContact CG2-CD2 3.35Å; I305-F309 HydrophobicContact CG2-CE2 3.37Å; I305-F309 WeakPolarHBondContact O-CD2 3.37Å; I305-F309 PolarHBondContact O-N 2.99Å
306K82.8Confident78.9Confident132 Ų13249.9 Ų49.957%0.57426%0.263SS*.Hα-helixtrans-57.3-39.2179.8-73.8-177.9178-166.30111.9T302 R303 A310 M369T302-K306 HydrophobicContact CG2-CD 4.5Å; T302-K306 WeakPolarHBondContact O-CG 3.39Å; T302-K306 PolarHBondContact O-N 3.3Å; R303-K306 PolarHBondContact O-N 3.07Å; K306-A310 VanDerWaalsContact O-CB 3.31Å; K306-A310 WeakPolarHBondContact O-CB 3.36Å; K306-A310 PolarHBondContact O-N 2.73Å; K306-M369 HydrophobicContact CB-CE 4.02Å
307L83.1Confident79.9Confident24 Ų2454 Ų5413%0.12627%0.274CS..Hα-helixtrans-60.2-49.3174.8-179.778.2000111.6R303 A304 I305 A310 M311 I365 M369R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 PolarHBondContact O-N 3.25Å; A304-L307 WeakPolarHBondContact O-CB 3.33Å; A304-L307 PolarHBondContact O-N 3.01Å; I305-L307 PolarHBondContact O-N 2.85Å; L307-A310 PolarHBondContact O-N 3.18Å; L307-M311 HydrophobicContact CD1-CE 3.36Å; L307-M311 HydrophobicContact CD2-CE 3.92Å; L307-M311 HydrophobicContact CG-CE 3.31Å; L307-M311 HydrophobicContact CG-SD 4.35Å; L307-M311 WeakPolarHBondContact O-CG 3.44Å; L307-M311 PolarHBondContact O-N 3.3Å; L307-M311 VanDerWaalsContact O-N 3.09Å; L307-I365 HydrophobicContact CD1-CG2 3.46Å; L307-I365 VanDerWaalsContact CD1-CG2 3.46Å; L307-I365 WeakPolarHBondContact CD1-O 3.18Å; L307-I365 HydrophobicContact CG-CG2 4.43Å; L307-M369 HydrophobicContact CB-CE 4.49Å; L307-M369 HydrophobicContact CD1-CB 3.67Å; L307-M369 HydrophobicContact CD1-SD 4.38Å
308L80.8Confident80.8Confident3 Ų351.8 Ų51.82%0.01626%0.261CS..Hα-helixtrans-64.4-43.1179-70.1175.2000112.5A134 R137 L257 A304 I305 M311 A312A134-L308 HydrophobicContact CB-CD1 4.36Å; A134-L308 HydrophobicContact CB-CD2 4.07Å; R137-L308 HydrophobicContact CB-CD1 3.82Å; R137-L308 HydrophobicContact CG-CD1 3.92Å; R137-L308 HydrophobicContact CG-CD2 4.2Å; R137-L308 HydrophobicContact CG-CG 4.33Å; L257-L308 HydrophobicContact CD2-CD1 3.79Å; A304-L308 WeakPolarHBondContact O-CG 3.34Å; A304-L308 PolarHBondContact O-N 3.23Å; A304-L308 VanDerWaalsContact O-N 3.08Å; I305-L308 PolarHBondContact O-N 3.27Å; I305-L308 VanDerWaalsContact O-N 3.09Å; L308-M311 PolarHBondContact O-N 2.95Å; L308-A312 WeakPolarHBondContact O-CB 3.16Å; L308-A312 PolarHBondContact O-N 2.96Å
309F84.4Confident81.6Confident82 Ų8245.9 Ų45.936%0.3624%0.238SC..Hα-helixtrans-63.1-42.7175.2-86-73.6000111.6C254 I305 M311 A312 S313C254-F309 HydrophobicContact CB-CD1 4.41Å; C254-F309 HydrophobicContact CB-CE1 3.83Å; C254-F309 HydrophobicContact CB-CE2 4.05Å; C254-F309 HydrophobicContact CB-CZ 3.64Å; I305-F309 HydrophobicContact CG2-CD2 3.35Å; I305-F309 HydrophobicContact CG2-CE2 3.37Å; I305-F309 WeakPolarHBondContact O-CD2 3.37Å; I305-F309 PolarHBondContact O-N 2.99Å; F309-M311 VanDerWaalsContact C-N 3.29Å; F309-M311 PolarHBondContact O-N 3.4Å; F309-A312 PolarHBondContact O-N 3.16Å; F309-S313 WeakPolarHBondContact O-CB 3.13Å; F309-S313 PolarHBondContact O-N 3.28Å; F309-S313 PolarHBondContact O-OG 3.28Å; F309-S313 VanDerWaalsContact O-OG 3.06Å
310A87.1Confident82.6Confident31 Ų3149.4 Ų49.426%0.25625%0.251SS..Hα-helixtrans-58.2-42.9176.800000111.6K306 L307 S314 I365 M369K306-A310 VanDerWaalsContact O-CB 3.31Å; K306-A310 WeakPolarHBondContact O-CB 3.36Å; K306-A310 PolarHBondContact O-N 2.73Å; L307-A310 PolarHBondContact O-N 3.18Å; A310-S314 WeakPolarHBondContact O-CB 3.19Å; A310-S314 PolarHBondContact O-N 2.69Å; A310-S314 PolarHBondContact O-OG 3.03Å; A310-S314 VanDerWaalsContact O-OG 3.12Å; A310-I365 HydrophobicContact CB-CD1 4.22Å; A310-I365 HydrophobicContact CB-CG2 4.29Å; A310-M369 HydrophobicContact CB-CE 4.25Å; A310-M369 HydrophobicContact CB-SD 4.12Å
311M83.3Confident83.5Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-66.3-44.7176.1-67.6163.2-167.500112.7I130 L307 L308 F309 S314 Y315 I365 Y366I130-M311 HydrophobicContact CG2-CB 3.89Å; L307-M311 HydrophobicContact CD1-CE 3.36Å; L307-M311 HydrophobicContact CD2-CE 3.92Å; L307-M311 HydrophobicContact CG-CE 3.31Å; L307-M311 HydrophobicContact CG-SD 4.35Å; L307-M311 WeakPolarHBondContact O-CG 3.44Å; L307-M311 PolarHBondContact O-N 3.3Å; L307-M311 VanDerWaalsContact O-N 3.09Å; L308-M311 PolarHBondContact O-N 2.95Å; F309-M311 VanDerWaalsContact C-N 3.29Å; F309-M311 PolarHBondContact O-N 3.4Å; M311-S314 WeakPolarHBondContact CA-OG 3.21Å; M311-S314 PolarHBondContact O-N 3.25Å; M311-S314 PolarHBondContact O-OG 3.29Å; M311-Y315 WeakPolarHBondContact O-CB 3.25Å; M311-Y315 PolarHBondContact O-N 2.98Å; M311-I365 HydrophobicContact CE-CB 4.46Å; M311-I365 HydrophobicContact CE-CG2 3.43Å; M311-I365 VanDerWaalsContact CE-CG2 3.43Å; M311-I365 HydrophobicContact CG-CD1 4.36Å; M311-I365 HydrophobicContact CG-CG2 3.93Å; M311-Y366 HydrophobicContact CE-CD1 3.6Å; M311-Y366 HydrophobicContact CE-CD2 4.12Å; M311-Y366 HydrophobicContact CE-CE1 3.03Å; M311-Y366 HydrophobicContact CE-CE2 3.57Å; M311-Y366 HydrophobicContact CE-CG 4.11Å; M311-Y366 VanDerWaalsContact CE-OH 3.28Å; M311-Y366 WeakPolarHBondContact CE-OH 3.04Å; M311-Y366 HydrophobicContact SD-CE1 3.96Å; M311-Y366 HydrophobicContact SD-CE2 4.27Å; M311-Y366 VanDerWaalsContact SD-CZ 3.54Å; M311-Y366 PolarHBondContact SD-OH 3.39Å
312A80Confident84.2Confident10 Ų1044.5 Ų44.58%0.08324%0.237CC..Hα-helixtrans-62.9-45.2179.600000110.9L250 L308 F309 Y315 A316L250-A312 HydrophobicContact CB-CB 3.99Å; L250-A312 HydrophobicContact CD1-CB 3.98Å; L250-A312 HydrophobicContact CG-CB 4.45Å; L308-A312 WeakPolarHBondContact O-CB 3.16Å; L308-A312 PolarHBondContact O-N 2.96Å; F309-A312 PolarHBondContact O-N 3.16Å; A312-Y315 PolarHBondContact O-N 3.29Å; A312-A316 VanDerWaalsContact O-CB 3.24Å; A312-A316 WeakPolarHBondContact O-CB 3.08Å; A312-A316 PolarHBondContact O-N 3.41Å
313S84.5Confident84.8Confident60 Ų6042.1 Ų42.142%0.4222%0.222SC..Hα-helixtrans-66.3-44.4176.9-61.10000111.9F309 Y315 A316 L317F309-S313 WeakPolarHBondContact O-CB 3.13Å; F309-S313 PolarHBondContact O-N 3.28Å; F309-S313 PolarHBondContact O-OG 3.28Å; F309-S313 VanDerWaalsContact O-OG 3.06Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 3.37Å; S313-A316 PolarHBondContact O-N 3.34Å; S313-L317 WeakPolarHBondContact O-CB 3.28Å; S313-L317 VanDerWaalsContact O-CG 3.24Å; S313-L317 WeakPolarHBondContact O-CG 3.08Å; S313-L317 PolarHBondContact O-N 3.46Å
314S86.7Confident85.4Confident16 Ų1639.3 Ų39.311%0.11223%0.225CC..Hα-helixtrans-62.2-42.9177.6640000111.1A310 M311 V318A310-S314 WeakPolarHBondContact O-CB 3.19Å; A310-S314 PolarHBondContact O-N 2.69Å; A310-S314 PolarHBondContact O-OG 3.03Å; A310-S314 VanDerWaalsContact O-OG 3.12Å; M311-S314 WeakPolarHBondContact CA-OG 3.21Å; M311-S314 PolarHBondContact O-N 3.25Å; M311-S314 PolarHBondContact O-OG 3.29Å; S314-V318 WeakPolarHBondContact O-CB 3.08Å; S314-V318 WeakPolarHBondContact O-CG2 3.04Å; S314-V318 PolarHBondContact O-N 2.83Å; S314-V318 VanDerWaalsContact O-N 3.12Å
315Y82.9Confident86.1Confident6 Ų639.1 Ų39.12%0.02422%0.22CC..Hα-helixtrans-61.7-52.4176.3-177.7-104.9000111.4T127 L242 Y243 P246 M311 A312 S313 L317 W319T127-Y315 HydrophobicContact CG2-CD1 4.31Å; T127-Y315 HydrophobicContact CG2-CD2 4.35Å; T127-Y315 HydrophobicContact CG2-CE1 3.61Å; T127-Y315 HydrophobicContact CG2-CE2 3.7Å; T127-Y315 WeakPolarHBondContact CG2-OH 3.32Å; T127-Y315 WeakPolarHBondContact OG1-CE2 3.38Å; T127-Y315 PolarHBondContact OG1-OH 2.85Å; L242-Y315 VanDerWaalsContact C-OH 3.26Å; L242-Y315 PolarHBondContact O-OH 2.92Å; Y243-Y315 HydrophobicContact CD2-CE1 4.1Å; P246-Y315 HydrophobicContact CB-CE1 4.44Å; M311-Y315 WeakPolarHBondContact O-CB 3.25Å; M311-Y315 PolarHBondContact O-N 2.98Å; A312-Y315 PolarHBondContact O-N 3.29Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 3.37Å; Y315-L317 PolarHBondContact O-N 3.03Å; Y315-W319 AromaticContact CD2-CD1 3.45Å; Y315-W319 VanDerWaalsContact CD2-CD1 3.45Å; Y315-W319 HydrophobicContact CD2-CG 4.18Å; Y315-W319 AromaticContact CD2-NE1 3.86Å; Y315-W319 HydrophobicContact CE2-CB 4.4Å; Y315-W319 AromaticContact CE2-CD1 3.38Å; Y315-W319 HydrophobicContact CE2-CD2 4.23Å; Y315-W319 AromaticContact CE2-CG 3.73Å; Y315-W319 HydrophobicContact CE2-CG 3.73Å; Y315-W319 AromaticContact CE2-NE1 3.7Å; Y315-W319 WeakPolarHBondContact O-CB 3.35Å; Y315-W319 PolarHBondContact O-N 2.92Å; Y315-W319 VanDerWaalsContact O-N 3.14Å
316A83.9Confident86.6Confident16 Ų1638.6 Ų38.613%0.13222%0.219CC..Hα-helixtrans-57.8-47.2-177.700000112.3Y243 L247 A312 S313 M320Y243-A316 PolarHBondContact OH-O 2.98Å; Y243-A316 VanDerWaalsContact OH-O 3.14Å; L247-A316 HydrophobicContact CD1-CB 3.76Å; A312-A316 VanDerWaalsContact O-CB 3.24Å; A312-A316 WeakPolarHBondContact O-CB 3.08Å; A312-A316 PolarHBondContact O-N 3.41Å; S313-A316 PolarHBondContact O-N 3.34Å; A316-M320 WeakPolarHBondContact O-CB 3.43Å; A316-M320 PolarHBondContact O-N 3.46Å
317L89.8Confident86.9Confident129 Ų12934.9 Ų34.968%0.67521%0.205SC*.Hα-helixtrans-74.7-39.4-173.9-68.5172.3000112.9S313 Y315 P321S313-L317 WeakPolarHBondContact O-CB 3.28Å; S313-L317 VanDerWaalsContact O-CG 3.24Å; S313-L317 WeakPolarHBondContact O-CG 3.08Å; S313-L317 PolarHBondContact O-N 3.46Å; Y315-L317 PolarHBondContact O-N 3.03Å; L317-P321 WeakPolarHBondContact O-CD 3.45Å
318V90.3Very high87.3Confident16 Ų1638.9 Ų38.910%0.09722%0.219CC..Hα-helixtrans-78-32.1-173.7170.50000111.5S314 I354 S355 L357 I361S314-V318 WeakPolarHBondContact O-CB 3.08Å; S314-V318 WeakPolarHBondContact O-CG2 3.04Å; S314-V318 PolarHBondContact O-N 2.83Å; S314-V318 VanDerWaalsContact O-N 3.12Å; V318-I354 HydrophobicContact CG1-CG2 4.5Å; V318-I354 WeakPolarHBondContact CG1-O 3.41Å; V318-S355 VanDerWaalsContact CG1-CA 3.48Å; V318-S355 VanDerWaalsContact CG1-O 3.3Å; V318-S355 WeakPolarHBondContact CG1-O 3.43Å; V318-S355 WeakPolarHBondContact O-CA 3.45Å; V318-L357 HydrophobicContact CG1-CB 4.34Å; V318-I361 HydrophobicContact CG2-CD1 3.89Å
319W88Confident87.6Confident4 Ų440.3 Ų40.32%0.01523%0.226CC..Hα-helixtrans-91.6-27.1-179-75.685.4000114.6I123 L242 Y243 Y315 P321 F322 Q323 M356 S358I123-W319 HydrophobicContact CB-CH2 4.08Å; I123-W319 HydrophobicContact CB-CZ2 4.32Å; I123-W319 HydrophobicContact CD1-CH2 3.26Å; I123-W319 HydrophobicContact CD1-CZ2 4.17Å; I123-W319 HydrophobicContact CD1-CZ3 3.82Å; I123-W319 HydrophobicContact CG1-CH2 3.49Å; I123-W319 VanDerWaalsContact CG1-CH2 3.49Å; I123-W319 HydrophobicContact CG1-CZ2 3.89Å; I123-W319 HydrophobicContact CG1-CZ3 4.36Å; I123-W319 HydrophobicContact CG2-CD2 4.34Å; I123-W319 HydrophobicContact CG2-CE3 4.27Å; I123-W319 HydrophobicContact CG2-CH2 3.37Å; I123-W319 HydrophobicContact CG2-CZ2 3.36Å; I123-W319 HydrophobicContact CG2-CZ3 3.8Å; L242-W319 HydrophobicContact CD2-CE3 4.31Å; L242-W319 HydrophobicContact CD2-CZ3 4.25Å; Y243-W319 HydrophobicContact CD2-CB 4.08Å; Y243-W319 HydrophobicContact CE2-CB 4.21Å; Y315-W319 AromaticContact CD2-CD1 3.45Å; Y315-W319 VanDerWaalsContact CD2-CD1 3.45Å; Y315-W319 HydrophobicContact CD2-CG 4.18Å; Y315-W319 AromaticContact CD2-NE1 3.86Å; Y315-W319 HydrophobicContact CE2-CB 4.4Å; Y315-W319 AromaticContact CE2-CD1 3.38Å; Y315-W319 HydrophobicContact CE2-CD2 4.23Å; Y315-W319 AromaticContact CE2-CG 3.73Å; Y315-W319 HydrophobicContact CE2-CG 3.73Å; Y315-W319 AromaticContact CE2-NE1 3.7Å; Y315-W319 WeakPolarHBondContact O-CB 3.35Å; Y315-W319 PolarHBondContact O-N 2.92Å; Y315-W319 VanDerWaalsContact O-N 3.14Å; W319-P321 VanDerWaalsContact C-CD 3.48Å; W319-F322 HydrophobicContact CE3-CD1 4.47Å; W319-F322 HydrophobicContact CZ3-CD1 4.26Å; W319-F322 PolarHBondContact O-N 2.87Å; W319-Q323 WeakPolarHBondContact O-CG 3.37Å; W319-Q323 PolarHBondContact O-N 2.05Å; W319-Q323 VanDerWaalsContact O-N 3.09Å; W319-M356 HydrophobicContact CH2-CE 4.11Å; W319-S358 PolarHBondContact NE1-OG 3.45Å
320M88.8Confident87.7Confident119 Ų11936.6 Ų36.659%0.58621%0.211SC*.Hα-helixtrans-53.2-47.2-175.4-171.9-153.117800113.9Y243 A316 F322 Q323 G324Y243-M320 HydrophobicContact CE2-CB 4.22Å; Y243-M320 WeakPolarHBondContact OH-CB 3.43Å; A316-M320 WeakPolarHBondContact O-CB 3.43Å; A316-M320 PolarHBondContact O-N 3.46Å; M320-F322 PolarHBondContact O-N 3.17Å; M320-Q323 PolarHBondContact O-N 3.37Å; M320-G324 PolarHBondContact O-N 2.94Å
321P92.1Very high87.7Confident40 Ų4040 Ų4026%0.2622%0.224SC..Hα-helixtrans-62.2-44.8-174.5-22.735000112L317 W319 L325 F351L317-P321 WeakPolarHBondContact O-CD 3.45Å; W319-P321 VanDerWaalsContact C-CD 3.48Å; P321-L325 WeakPolarHBondContact O-CB 3.47Å; P321-L325 PolarHBondContact O-N 3.07Å; P321-F351 VanDerWaalsContact C-CD2 3.48Å; P321-F351 HydrophobicContact CB-CB 4.38Å; P321-F351 HydrophobicContact CB-CD1 4.01Å; P321-F351 HydrophobicContact CB-CD2 3.73Å; P321-F351 HydrophobicContact CB-CE1 4.16Å; P321-F351 HydrophobicContact CB-CE2 3.9Å; P321-F351 HydrophobicContact CB-CG 3.79Å; P321-F351 HydrophobicContact CB-CZ 4.11Å; P321-F351 VanDerWaalsContact O-CD2 3.26Å; P321-F351 WeakPolarHBondContact O-CD2 3.46Å
322F90.2Very high87.8Confident30 Ų3045.6 Ų45.613%0.13225%0.245CC..Hα-helixtrans-63.1-51.8178.4-178.2-111.2000110.9W319 M320 G324 L325 S326 D348 F351 K352W319-F322 HydrophobicContact CE3-CD1 4.47Å; W319-F322 HydrophobicContact CZ3-CD1 4.26Å; W319-F322 PolarHBondContact O-N 2.87Å; M320-F322 PolarHBondContact O-N 3.17Å; F322-G324 VanDerWaalsContact C-N 3.32Å; F322-G324 PolarHBondContact O-N 2.97Å; F322-L325 PolarHBondContact O-N 2.82Å; F322-S326 PolarHBondContact O-N 2.88Å; F322-S326 PolarHBondContact O-OG 3.18Å; F322-D348 WeakPolarHBondContact CE2-OD1 3.45Å; F322-F351 HydrophobicContact CB-CB 4.06Å; F322-F351 HydrophobicContact CD2-CB 4.3Å; F322-K352 HydrophobicContact CD2-CB 3.98Å; F322-K352 HydrophobicContact CE2-CB 3.89Å; F322-K352 HydrophobicContact CE2-CG 4.13Å; F322-K352 HydrophobicContact CZ-CG 4.43Å
323Q88.7Confident87.3Confident11 Ų1147 Ų475%0.05126%0.255CS..Hα-helixtrans-62.2-39-179.1-63.2-57.3105.700112.8Y243 W319 M320 L327Y243-Q323 HydrophobicContact CD2-CG 4.41Å; Y243-Q323 HydrophobicContact CG-CG 4.41Å; W319-Q323 WeakPolarHBondContact O-CG 3.37Å; W319-Q323 PolarHBondContact O-N 2.05Å; W319-Q323 VanDerWaalsContact O-N 3.09Å; M320-Q323 PolarHBondContact O-N 3.37Å; Q323-L327 WeakPolarHBondContact O-CB 3.42Å; Q323-L327 PolarHBondContact O-N 3.42Å; Q323-L327 VanDerWaalsContact O-N 3.16Å
324G90.5Very high86.5Confident44 Ų4446.9 Ų46.945%0.45425%0.254SS..Hα-helixtrans-65.9-42.6177.100000112.2M320 F322 Y328M320-G324 PolarHBondContact O-N 2.94Å; F322-G324 VanDerWaalsContact C-N 3.32Å; F322-G324 PolarHBondContact O-N 2.97Å; G324-Y328 WeakPolarHBondContact O-CB 3.48Å; G324-Y328 PolarHBondContact O-N 3.43Å
325L91.4Very high85.8Confident23 Ų2351.1 Ų51.112%0.1228%0.275CS..Hα-helixtrans-69.8-44.2178.2-179.460.3000112.1P321 F322 L327 Y328 I329 I347 D348 F351P321-L325 WeakPolarHBondContact O-CB 3.47Å; P321-L325 PolarHBondContact O-N 3.07Å; F322-L325 PolarHBondContact O-N 2.82Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.39Å; L325-Y328 HydrophobicContact CD1-CD1 4.19Å; L325-Y328 WeakPolarHBondContact O-CB 3.33Å; L325-Y328 PolarHBondContact O-N 3.01Å; L325-Y328 VanDerWaalsContact O-N 3.07Å; L325-I329 HydrophobicContact CD1-CD1 4.04Å; L325-I329 HydrophobicContact CD1-CG1 4.06Å; L325-I329 HydrophobicContact CD2-CD1 4.46Å; L325-I329 HydrophobicContact CG-CD1 3.82Å; L325-I329 HydrophobicContact CG-CG1 4.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.23Å; L325-I329 PolarHBondContact O-N 2.97Å; L325-I347 HydrophobicContact CD2-CB 4.17Å; L325-I347 HydrophobicContact CD2-CG2 3.63Å; L325-D348 HydrophobicContact CD2-CB 4.19Å; L325-F351 HydrophobicContact CB-CD2 3.77Å; L325-F351 HydrophobicContact CB-CE2 4.08Å; L325-F351 HydrophobicContact CD2-CD2 3.49Å; L325-F351 VanDerWaalsContact CD2-CD2 3.49Å; L325-F351 HydrophobicContact CD2-CE2 3.87Å; L325-F351 HydrophobicContact CD2-CG 4.36Å; L325-F351 HydrophobicContact CG-CD2 4.29Å
326S89.8Confident85.5Confident15 Ų1553.3 Ų53.311%0.10528%0.283CS..Hα-helixtrans-58.7-43.1177.3-53.60000111.2F322 Y328 I329 S330F322-S326 PolarHBondContact O-N 2.88Å; F322-S326 PolarHBondContact O-OG 3.18Å; S326-Y328 PolarHBondContact O-N 3.06Å; S326-I329 PolarHBondContact O-N 3.39Å; S326-S330 PolarHBondContact O-N 3.13Å; S326-S330 PolarHBondContact O-OG 2.71Å
327L89.1Confident85.2Confident54 Ų5454.8 Ų54.828%0.28329%0.292SS..Hα-helixtrans-63.2-41.4174.7-175.862.8000112.1L232 T235 V236 Q323 L325 L331L232-L327 HydrophobicContact CD1-CD1 4.45Å; T235-L327 HydrophobicContact CG2-CB 4.29Å; T235-L327 HydrophobicContact CG2-CD1 4.23Å; V236-L327 HydrophobicContact CG2-CD1 3.95Å; Q323-L327 WeakPolarHBondContact O-CB 3.42Å; Q323-L327 PolarHBondContact O-N 3.42Å; Q323-L327 VanDerWaalsContact O-N 3.16Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.39Å; L327-L331 HydrophobicContact CD1-CD1 4.28Å; L327-L331 HydrophobicContact CD1-CG 4.41Å; L327-L331 HydrophobicContact CG-CD1 4.01Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 VanDerWaalsContact O-CG 3.24Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.42Å
328Y90.5Very high84.4Confident108 Ų10857.3 Ų57.342%0.42430%0.3SS..Hα-helixtrans-63.4-42.6177.3178.9-118000112.5G324 L325 S326 L331 R332 W336G324-Y328 WeakPolarHBondContact O-CB 3.48Å; G324-Y328 PolarHBondContact O-N 3.43Å; L325-Y328 HydrophobicContact CD1-CD1 4.19Å; L325-Y328 WeakPolarHBondContact O-CB 3.33Å; L325-Y328 PolarHBondContact O-N 3.01Å; L325-Y328 VanDerWaalsContact O-N 3.07Å; S326-Y328 PolarHBondContact O-N 3.06Å; Y328-L331 PolarHBondContact O-N 3.33Å; Y328-R332 HydrophobicContact CD2-CG 4.28Å; Y328-R332 HydrophobicContact CE2-CG 3.84Å; Y328-R332 WeakPolarHBondContact O-CB 3.44Å; Y328-R332 PolarHBondContact O-N 3.49Å; Y328-R332 VanDerWaalsContact O-N 3.16Å; Y328-W336 HydrophobicContact CD1-CH2 4.07Å; Y328-W336 HydrophobicContact CD1-CZ2 4.08Å; Y328-W336 AromaticContact CE1-CH2 3.41Å; Y328-W336 HydrophobicContact CE1-CH2 3.41Å; Y328-W336 VanDerWaalsContact CE1-CH2 3.41Å; Y328-W336 AromaticContact CE1-CZ2 3.77Å; Y328-W336 HydrophobicContact CE1-CZ2 3.77Å
329I88.4Confident83.9Confident32 Ų3262.5 Ų62.516%0.16433%0.327CS..Hα-helixtrans-62-51.1176.7-68.5169.6000110.2L325 S326 L331 R332 S333 W336 V344 D348L325-I329 HydrophobicContact CD1-CD1 4.04Å; L325-I329 HydrophobicContact CD1-CG1 4.06Å; L325-I329 HydrophobicContact CD2-CD1 4.46Å; L325-I329 HydrophobicContact CG-CD1 3.82Å; L325-I329 HydrophobicContact CG-CG1 4.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.23Å; L325-I329 PolarHBondContact O-N 2.97Å; S326-I329 PolarHBondContact O-N 3.39Å; I329-L331 VanDerWaalsContact C-N 3.25Å; I329-L331 PolarHBondContact O-N 2.94Å; I329-R332 CarbonylContact O-C 3.58Å; I329-R332 PolarHBondContact O-N 2.03Å; I329-S333 PolarHBondContact O-N 3.39Å; I329-W336 HydrophobicContact CG1-CZ2 4.42Å; I329-V344 HydrophobicContact CD1-CG1 3.53Å; I329-V344 HydrophobicContact CG1-CG1 3.69Å; I329-D348 HydrophobicContact CD1-CB 4.38Å
330S86.5Confident83.7Confident5 Ų568.2 Ų68.24%0.03535%0.349CS..Hα-helixtrans-64.3-28.4-179-600000113E231 T235 S326E231-S330 PolarHBondContact OE1-OG 3.01Å; T235-S330 PolarHBondContact OG1-OG 2.84Å; S326-S330 PolarHBondContact O-N 3.13Å; S326-S330 PolarHBondContact O-OG 2.71Å
331L87.3Confident83.4Confident102 Ų10265.4 Ų65.453%0.53434%0.338SS..Hα-helixtrans-76-24.6174.3-74.4170.7000113.7L232 L327 Y328 I329L232-L331 HydrophobicContact CD1-CD2 3.65Å; L232-L331 HydrophobicContact CD1-CG 4.07Å; L232-L331 HydrophobicContact CD2-CD2 4.4Å; L327-L331 HydrophobicContact CD1-CD1 4.28Å; L327-L331 HydrophobicContact CD1-CG 4.41Å; L327-L331 HydrophobicContact CG-CD1 4.01Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 VanDerWaalsContact O-CG 3.24Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.42Å; Y328-L331 PolarHBondContact O-N 3.33Å; I329-L331 VanDerWaalsContact C-N 3.25Å; I329-L331 PolarHBondContact O-N 2.94Å
332R84.5Confident83Confident118 Ų11866.4 Ų66.445%0.44534%0.343SS..Hα-helixtrans-1102.9-174.6-76.8-65.7-163.5160.42.6114.4Y328 I329 S334 D335 W336Y328-R332 HydrophobicContact CD2-CG 4.28Å; Y328-R332 HydrophobicContact CE2-CG 3.84Å; Y328-R332 WeakPolarHBondContact O-CB 3.44Å; Y328-R332 PolarHBondContact O-N 3.49Å; Y328-R332 VanDerWaalsContact O-N 3.16Å; I329-R332 CarbonylContact O-C 3.58Å; I329-R332 PolarHBondContact O-N 2.03Å; R332-S334 PolarHBondContact O-N 2.82Å; R332-D335 IonicContact NH1-OD2 3.27Å; R332-D335 PolarHBondContact NH1-OD2 2.84Å; R332-D335 PolarHBondContact O-N 3.44Å; R332-W336 HydrophobicContact CB-CZ2 3.92Å; R332-W336 PolarHBondContact O-NE1 3.35Å
333S69.2Low82.9Confident40 Ų4069.7 Ų69.728%0.2836%0.362SS..THydrogen-bonded Turntrans-55.2-24.6-161.761.70000115.6Q228 I329Q228-S333 VanDerWaalsContact CD-OG 3.23Å; Q228-S333 WeakPolarHBondContact CG-OG 3.49Å; Q228-S333 PolarHBondContact NE2-OG 3.02Å; I329-S333 PolarHBondContact O-N 3.39Å
334S68Low83Confident57 Ų5770 Ų7040%0.39937%0.365SS..THydrogen-bonded Turntrans-85-8.8176.6-162.80000115.8K224 R332K224-S334 PolarHBondContact NZ-OG 3.08Å; R332-S334 PolarHBondContact O-N 2.82Å
335D72.2Confident82.8Confident105 Ų10572.2 Ų72.256%0.56136%0.364SS*.  trans-110.55.1-169.1-64.6-19.4000114.1R332 P337R332-D335 IonicContact NH1-OD2 3.27Å; R332-D335 PolarHBondContact NH1-OD2 2.84Å; R332-D335 PolarHBondContact O-N 3.44Å; D335-P337 WeakPolarHBondContact O-CD 3.27Å
336W75.7Confident82.7Confident51 Ų5174.6 Ų74.619%0.19337%0.371CS..  trans-77.6116.8-173.4-68.8104.7000111.1Y328 I329 R332 V341 V344Y328-W336 HydrophobicContact CD1-CH2 4.07Å; Y328-W336 HydrophobicContact CD1-CZ2 4.08Å; Y328-W336 AromaticContact CE1-CH2 3.41Å; Y328-W336 HydrophobicContact CE1-CH2 3.41Å; Y328-W336 VanDerWaalsContact CE1-CH2 3.41Å; Y328-W336 AromaticContact CE1-CZ2 3.77Å; Y328-W336 HydrophobicContact CE1-CZ2 3.77Å; I329-W336 HydrophobicContact CG1-CZ2 4.42Å; R332-W336 HydrophobicContact CB-CZ2 3.92Å; R332-W336 PolarHBondContact O-NE1 3.35Å; W336-V341 HydrophobicContact CB-CG2 4.01Å; W336-V344 HydrophobicContact CD2-CG2 4.47Å; W336-V344 HydrophobicContact CE3-CG2 3.81Å; W336-V344 HydrophobicContact CH2-CG1 4.4Å; W336-V344 HydrophobicContact CH2-CG2 3.61Å; W336-V344 HydrophobicContact CZ2-CG1 4.46Å; W336-V344 HydrophobicContact CZ2-CG2 4.36Å; W336-V344 HydrophobicContact CZ3-CG2 3.34Å
337P77.9Confident82.9Confident48 Ų4877 Ų7731%0.31238%0.382SS..  trans-68.4143.3172.532.1-35.5000109.2D335 D339 R340 V341D335-P337 WeakPolarHBondContact O-CD 3.27Å; P337-D339 WeakPolarHBondContact CB-OD1 3.43Å; P337-D339 WeakPolarHBondContact CG-OD1 3.01Å; P337-D339 PolarHBondContact O-N 3.12Å; P337-D339 VanDerWaalsContact O-N 3.14Å; P337-R340 HydrophobicContact CG-CB 4.15Å; P337-R340 HydrophobicContact CG-CG 4.03Å; P337-R340 PolarHBondContact O-N 2.95Å; P337-V341 PolarHBondContact O-N 3.06Å
338E74.5Confident83Confident181 Ų18175.5 Ų75.585%0.84638%0.375SS*.Hα-helixtrans-54.8-35.9-171.5-68.1-176.9171.400112.8R340 V341E338-R340 PolarHBondContact O-N 3.44Å; E338-V341 PolarHBondContact O-N 3.42Å
339D78.3Confident83Confident125 Ų12570.6 Ų70.667%0.66836%0.356SS*.Hα-helixtrans-63.5-23.8178.669.8-38.2000113.6P337P337-D339 WeakPolarHBondContact CB-OD1 3.43Å; P337-D339 WeakPolarHBondContact CG-OD1 3.01Å; P337-D339 PolarHBondContact O-N 3.12Å; P337-D339 VanDerWaalsContact O-N 3.14Å
340R85.2Confident83.3Confident125 Ų12570.7 Ų70.747%0.47236%0.361SS..Hα-helixtrans-99.6-15.4-179.6-64.8-145.6-63.4-110.51.8114.4P337 E338 T342 L343 V344P337-R340 HydrophobicContact CG-CB 4.15Å; P337-R340 HydrophobicContact CG-CG 4.03Å; P337-R340 PolarHBondContact O-N 2.95Å; E338-R340 PolarHBondContact O-N 3.44Å; R340-T342 PolarHBondContact O-N 3.16Å; R340-L343 PolarHBondContact O-N 3.36Å; R340-V344 VanDerWaalsContact O-CG2 3.28Å; R340-V344 WeakPolarHBondContact O-CG2 3.29Å; R340-V344 PolarHBondContact O-N 3.15Å
341V82.5Confident83.7Confident59 Ų5973.4 Ų73.436%0.35837%0.372SS..Hα-helixtrans-58.8-47.5-177.4175.80000111W336 P337 E338 L343 V344 M345W336-V341 HydrophobicContact CB-CG2 4.01Å; P337-V341 PolarHBondContact O-N 3.06Å; E338-V341 PolarHBondContact O-N 3.42Å; V341-L343 VanDerWaalsContact C-N 3.34Å; V341-L343 PolarHBondContact O-N 3.15Å; V341-V344 PolarHBondContact O-N 3.12Å; V341-M345 HydrophobicContact CG1-CG 4.38Å; V341-M345 VanDerWaalsContact O-CG 3.29Å; V341-M345 WeakPolarHBondContact O-CG 3.04Å; V341-M345 PolarHBondContact O-N 3.24Å
342T83.1Confident83.9Confident61 Ų6169.8 Ų69.837%0.37435%0.353SS..Hα-helixtrans-60.9-43.7178.9-51.60000111.7R340 M345 R346R340-T342 PolarHBondContact O-N 3.16Å; T342-M345 PolarHBondContact O-N 2.79Å; T342-R346 WeakPolarHBondContact O-CG 3.03Å; T342-R346 PolarHBondContact O-N 2.93Å
343L88.1Confident84.2Confident100 Ų10065.6 Ų65.652%0.52434%0.339SS..Hα-helixtrans-61.9-46178.2178.563.1000111.2R340 V341 M345 R346 I347R340-L343 PolarHBondContact O-N 3.36Å; V341-L343 VanDerWaalsContact C-N 3.34Å; V341-L343 PolarHBondContact O-N 3.15Å; L343-M345 VanDerWaalsContact C-N 3.35Å; L343-M345 PolarHBondContact O-N 3.02Å; L343-R346 PolarHBondContact O-N 2.74Å; L343-I347 HydrophobicContact CD1-CD1 4.17Å; L343-I347 HydrophobicContact CD1-CG1 4.43Å; L343-I347 HydrophobicContact CG-CD1 4.01Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.38Å
344V89.7Confident85.3Confident18 Ų1866.9 Ų66.911%0.10934%0.342CS..Hα-helixtrans-60.7-44.7179.1171.30000111.2I329 W336 R340 V341 R346 I347 D348I329-V344 HydrophobicContact CD1-CG1 3.53Å; I329-V344 HydrophobicContact CG1-CG1 3.69Å; W336-V344 HydrophobicContact CD2-CG2 4.47Å; W336-V344 HydrophobicContact CE3-CG2 3.81Å; W336-V344 HydrophobicContact CH2-CG1 4.4Å; W336-V344 HydrophobicContact CH2-CG2 3.61Å; W336-V344 HydrophobicContact CZ2-CG1 4.46Å; W336-V344 HydrophobicContact CZ2-CG2 4.36Å; W336-V344 HydrophobicContact CZ3-CG2 3.34Å; R340-V344 VanDerWaalsContact O-CG2 3.28Å; R340-V344 WeakPolarHBondContact O-CG2 3.29Å; R340-V344 PolarHBondContact O-N 3.15Å; V341-V344 PolarHBondContact O-N 3.12Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 2.83Å; V344-I347 PolarHBondContact O-N 3.15Å; V344-D348 PolarHBondContact O-N 2.95Å
345M87Confident86.4Confident89 Ų8964.1 Ų64.144%0.43832%0.323SS..Hα-helixtrans-65.2-35.9178.1-67.2-71.5-147.800112.6L33 V341 T342 L343 D348 E349L33-M345 HydrophobicContact CD2-CB 3.32Å; L33-M345 HydrophobicContact CD2-CG 3.77Å; V341-M345 HydrophobicContact CG1-CG 4.38Å; V341-M345 VanDerWaalsContact O-CG 3.29Å; V341-M345 WeakPolarHBondContact O-CG 3.04Å; V341-M345 PolarHBondContact O-N 3.24Å; T342-M345 PolarHBondContact O-N 2.79Å; L343-M345 VanDerWaalsContact C-N 3.35Å; L343-M345 PolarHBondContact O-N 3.02Å; M345-D348 PolarHBondContact O-N 3.26Å; M345-E349 PolarHBondContact O-N 2.84Å
346R90Very high87.2Confident73 Ų7359.3 Ų59.328%0.27530%0.297SS..Hα-helixtrans-64.4-41.2173.3-72.4179.8-173.7-172.510.9112L33 F34 E38 T342 L343 V344 E349 A350L33-R346 PolarHBondContact O-NE 3.03Å; L33-R346 PolarHBondContact O-NH2 3.48Å; L33-R346 VanDerWaalsContact O-NH2 3.17Å; F34-R346 HydrophobicContact CD1-CG 3.98Å; F34-R346 HydrophobicContact CE1-CB 4.25Å; F34-R346 HydrophobicContact CE1-CG 3.78Å; E38-R346 IonicContact OE1-CZ 3.71Å; E38-R346 IonicContact OE1-NE 2.78Å; E38-R346 IonicContact OE1-NH1 3.19Å; E38-R346 PolarHBondContact OE1-NH1 3.32Å; E38-R346 IonicContact OE2-CZ 3.39Å; E38-R346 VanDerWaalsContact OE2-CZ 3.27Å; E38-R346 IonicContact OE2-NE 3.11Å; E38-R346 IonicContact OE2-NH1 3.46Å; E38-R346 PolarHBondContact OE2-NH1 2.96Å; E38-R346 IonicContact OE2-NH2 3.77Å; T342-R346 WeakPolarHBondContact O-CG 3.03Å; T342-R346 PolarHBondContact O-N 2.93Å; L343-R346 PolarHBondContact O-N 2.74Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 2.83Å; R346-E349 PolarHBondContact O-N 3.37Å; R346-A350 PolarHBondContact O-N 3.28Å
347I93.2Very high87.9Confident65 Ų6560.2 Ų60.233%0.33331%0.305SS..Hα-helixtrans-67.4-41.5176.6-61.5167.3000110.3L325 L343 V344 E349 A350 F351L325-I347 HydrophobicContact CD2-CB 4.17Å; L325-I347 HydrophobicContact CD2-CG2 3.63Å; L343-I347 HydrophobicContact CD1-CD1 4.17Å; L343-I347 HydrophobicContact CD1-CG1 4.43Å; L343-I347 HydrophobicContact CG-CD1 4.01Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.38Å; V344-I347 PolarHBondContact O-N 3.15Å; I347-E349 VanDerWaalsContact C-N 3.32Å; I347-E349 PolarHBondContact O-N 3.28Å; I347-A350 PolarHBondContact O-N 3.21Å; I347-F351 HydrophobicContact CG2-CD1 4.41Å; I347-F351 HydrophobicContact CG2-CD2 4.13Å; I347-F351 HydrophobicContact CG2-CE1 4.11Å; I347-F351 HydrophobicContact CG2-CE2 3.79Å; I347-F351 HydrophobicContact CG2-CG 4.43Å; I347-F351 HydrophobicContact CG2-CZ 3.78Å; I347-F351 WeakPolarHBondContact O-CG 3.16Å; I347-F351 PolarHBondContact O-N 3.41Å
348D91.3Very high88.5Confident24 Ų2458.3 Ų58.313%0.12829%0.293CS..Hα-helixtrans-55.1-48.9174.4-178.278.2000111.2F322 L325 I329 V344 M345 A350 F351 K352F322-D348 WeakPolarHBondContact CE2-OD1 3.45Å; L325-D348 HydrophobicContact CD2-CB 4.19Å; I329-D348 HydrophobicContact CD1-CB 4.38Å; V344-D348 PolarHBondContact O-N 2.95Å; M345-D348 PolarHBondContact O-N 3.26Å; D348-A350 PolarHBondContact O-N 3.42Å; D348-F351 PolarHBondContact O-N 3.22Å; D348-K352 WeakPolarHBondContact O-CB 3.42Å; D348-K352 PolarHBondContact O-N 3.32Å; D348-K352 WeakPolarHBondContact OD2-CE 3.33Å; D348-K352 IonicContact OD2-NZ 3.53Å; D348-K352 PolarHBondContact OD2-NZ 2.79Å
349E91.3Very high89.3Confident4 Ų449.7 Ų49.72%0.01925%0.253CS..Hα-helixtrans-66-37.9-179.8-165.256.4-146.200112.6F34 F42 Y46 W97 M345 R346 I347 K352 L353F34-E349 HydrophobicContact CE1-CB 4.02Å; F34-E349 HydrophobicContact CE1-CG 4.2Å; F34-E349 HydrophobicContact CZ-CB 3.64Å; F34-E349 HydrophobicContact CZ-CG 3.73Å; F42-E349 HydrophobicContact CD1-CG 4.26Å; F42-E349 HydrophobicContact CE1-CB 4.45Å; F42-E349 HydrophobicContact CE1-CG 4.04Å; F42-E349 HydrophobicContact CZ-CB 4.35Å; F42-E349 HydrophobicContact CZ-CG 4.26Å; Y46-E349 VanDerWaalsContact CE2-OE1 3.25Å; Y46-E349 WeakPolarHBondContact CE2-OE1 3.12Å; Y46-E349 VanDerWaalsContact CZ-OE1 3.31Å; Y46-E349 PolarHBondContact OH-OE1 2.76Å; W97-E349 HydrophobicContact CZ3-CG 4.05Å; M345-E349 PolarHBondContact O-N 2.84Å; R346-E349 PolarHBondContact O-N 3.37Å; I347-E349 VanDerWaalsContact C-N 3.32Å; I347-E349 PolarHBondContact O-N 3.28Å; E349-K352 WeakPolarHBondContact O-CB 3.5Å; E349-K352 PolarHBondContact O-N 2.97Å; E349-K352 IonicContact OE2-NZ 2.72Å; E349-K352 PolarHBondContact OE2-NZ 3.21Å; E349-L353 WeakPolarHBondContact O-CB 3.43Å; E349-L353 PolarHBondContact O-N 2.79Å
350A93.7Very high89.8Confident34 Ų3444.9 Ų44.928%0.28123%0.228SC..Hα-helixtrans-62.6-43.3173.200000112.3F42 R346 I347 D348 K352 L353 I354F42-A350 HydrophobicContact CE1-CB 4.48Å; F42-A350 HydrophobicContact CZ-CB 4.28Å; R346-A350 PolarHBondContact O-N 3.28Å; I347-A350 PolarHBondContact O-N 3.21Å; D348-A350 PolarHBondContact O-N 3.42Å; A350-K352 VanDerWaalsContact C-N 3.35Å; A350-L353 PolarHBondContact O-N 3.01Å; A350-I354 WeakPolarHBondContact O-CG1 3.24Å; A350-I354 PolarHBondContact O-N 2.9Å
351F94.6Very high90Very high62 Ų6241.4 Ų41.427%0.27222%0.219SC..Hα-helixtrans-70-33.8177.8-72.5-2.7000112.3P321 F322 L325 I347 D348 I354 S355P321-F351 VanDerWaalsContact C-CD2 3.48Å; P321-F351 HydrophobicContact CB-CB 4.38Å; P321-F351 HydrophobicContact CB-CD1 4.01Å; P321-F351 HydrophobicContact CB-CD2 3.73Å; P321-F351 HydrophobicContact CB-CE1 4.16Å; P321-F351 HydrophobicContact CB-CE2 3.9Å; P321-F351 HydrophobicContact CB-CG 3.79Å; P321-F351 HydrophobicContact CB-CZ 4.11Å; P321-F351 VanDerWaalsContact O-CD2 3.26Å; P321-F351 WeakPolarHBondContact O-CD2 3.46Å; F322-F351 HydrophobicContact CB-CB 4.06Å; F322-F351 HydrophobicContact CD2-CB 4.3Å; L325-F351 HydrophobicContact CB-CD2 3.77Å; L325-F351 HydrophobicContact CB-CE2 4.08Å; L325-F351 HydrophobicContact CD2-CD2 3.49Å; L325-F351 VanDerWaalsContact CD2-CD2 3.49Å; L325-F351 HydrophobicContact CD2-CE2 3.87Å; L325-F351 HydrophobicContact CD2-CG 4.36Å; L325-F351 HydrophobicContact CG-CD2 4.29Å; I347-F351 HydrophobicContact CG2-CD1 4.41Å; I347-F351 HydrophobicContact CG2-CD2 4.13Å; I347-F351 HydrophobicContact CG2-CE1 4.11Å; I347-F351 HydrophobicContact CG2-CE2 3.79Å; I347-F351 HydrophobicContact CG2-CG 4.43Å; I347-F351 HydrophobicContact CG2-CZ 3.78Å; I347-F351 WeakPolarHBondContact O-CG 3.16Å; I347-F351 PolarHBondContact O-N 3.41Å; D348-F351 PolarHBondContact O-N 3.22Å; F351-I354 HydrophobicContact CD1-CD1 4.15Å; F351-I354 PolarHBondContact O-N 2.82Å; F351-S355 PolarHBondContact O-N 3.4Å
352K91.1Very high90.2Very high27 Ų2738.9 Ų38.912%0.11720%0.203CC..Hα-helixtrans-62.4-45.6170.9-165.5-180-62.7133.40111.3L96 F322 D348 E349 A350 I354 S355 M356L96-K352 HydrophobicContact CD2-CD 3.45Å; L96-K352 VanDerWaalsContact CD2-CD 3.45Å; F322-K352 HydrophobicContact CD2-CB 3.98Å; F322-K352 HydrophobicContact CE2-CB 3.89Å; F322-K352 HydrophobicContact CE2-CG 4.13Å; F322-K352 HydrophobicContact CZ-CG 4.43Å; D348-K352 WeakPolarHBondContact O-CB 3.42Å; D348-K352 PolarHBondContact O-N 3.32Å; D348-K352 WeakPolarHBondContact OD2-CE 3.33Å; D348-K352 IonicContact OD2-NZ 3.53Å; D348-K352 PolarHBondContact OD2-NZ 2.79Å; E349-K352 WeakPolarHBondContact O-CB 3.5Å; E349-K352 PolarHBondContact O-N 2.97Å; E349-K352 IonicContact OE2-NZ 2.72Å; E349-K352 PolarHBondContact OE2-NZ 3.21Å; A350-K352 VanDerWaalsContact C-N 3.35Å; K352-I354 VanDerWaalsContact C-N 3.33Å; K352-I354 PolarHBondContact O-N 3.47Å; K352-S355 PolarHBondContact O-N 2.93Å; K352-S355 PolarHBondContact O-OG 3.44Å; K352-M356 HydrophobicContact CG-CE 4.48Å; K352-M356 VanDerWaalsContact O-CG 3.31Å; K352-M356 WeakPolarHBondContact O-CG 2.74Å; K352-M356 PolarHBondContact O-N 2.94Å; K352-M356 VanDerWaalsContact O-N 3.1Å
353L91.8Very high90.3Very high30 Ų3036.4 Ų36.416%0.15719%0.188CC..Hα-helixtrans-59.9-44.2175-177.473.6000111.6F42 A45 Y46 L49 E349 A350 M356F42-L353 HydrophobicContact CD1-CB 4.48Å; F42-L353 HydrophobicContact CD1-CD2 3.92Å; F42-L353 HydrophobicContact CE1-CB 4.32Å; F42-L353 HydrophobicContact CE1-CD2 4.03Å; A45-L353 HydrophobicContact CB-CD1 3.87Å; A45-L353 HydrophobicContact CB-CD2 3.78Å; A45-L353 HydrophobicContact CB-CG 4.42Å; Y46-L353 HydrophobicContact CD1-CD1 3.57Å; Y46-L353 HydrophobicContact CD2-CD1 3.97Å; Y46-L353 HydrophobicContact CE1-CB 4.44Å; Y46-L353 HydrophobicContact CE1-CD1 3.48Å; Y46-L353 VanDerWaalsContact CE1-CD1 3.48Å; Y46-L353 HydrophobicContact CE2-CD1 3.89Å; Y46-L353 HydrophobicContact CG-CD1 3.82Å; L49-L353 HydrophobicContact CD1-CD1 3.57Å; L49-L353 HydrophobicContact CD1-CG 4.36Å; E349-L353 WeakPolarHBondContact O-CB 3.43Å; E349-L353 PolarHBondContact O-N 2.79Å; A350-L353 PolarHBondContact O-N 3.01Å; L353-M356 PolarHBondContact O-N 2.98Å
354I92.5Very high90.1Very high66 Ų6635.6 Ų35.634%0.33819%0.187SC..Hα-helixtrans-59.6-48.6175.5-71.2161.7000110V318 A350 F351 K352 M356 L357V318-I354 HydrophobicContact CG1-CG2 4.5Å; V318-I354 WeakPolarHBondContact CG1-O 3.41Å; A350-I354 WeakPolarHBondContact O-CG1 3.24Å; A350-I354 PolarHBondContact O-N 2.9Å; F351-I354 HydrophobicContact CD1-CD1 4.15Å; F351-I354 PolarHBondContact O-N 2.82Å; K352-I354 VanDerWaalsContact C-N 3.33Å; K352-I354 PolarHBondContact O-N 3.47Å; I354-M356 PolarHBondContact O-N 3.34Å; I354-L357 WeakPolarHBondContact O-CB 3.12Å; I354-L357 VanDerWaalsContact O-CG 3.22Å; I354-L357 WeakPolarHBondContact O-CG 3.3Å; I354-L357 PolarHBondContact O-N 2.89Å
355S89.8Confident89.9Confident0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-57.7-34.3-178.979.30000112.2V318 F351 K352 L357 S358V318-S355 VanDerWaalsContact CG1-CA 3.48Å; V318-S355 VanDerWaalsContact CG1-O 3.3Å; V318-S355 WeakPolarHBondContact CG1-O 3.43Å; V318-S355 WeakPolarHBondContact O-CA 3.45Å; F351-S355 PolarHBondContact O-N 3.4Å; K352-S355 PolarHBondContact O-N 2.93Å; K352-S355 PolarHBondContact O-OG 3.44Å; S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 2.84Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 3.44Å; S355-S358 PolarHBondContact O-OG 3.04Å
356M90.2Very high89.4Confident3 Ų331.4 Ų31.42%0.01517%0.165CC..Hα-helixtrans-68.7-18.1176.7-65.4-59.3143.200114.3Y46 L49 L88 Y92 I123 W319 K352 L353 I354 S358 I359Y46-M356 HydrophobicContact CE1-CG 4.26Å; L49-M356 HydrophobicContact CD1-CB 4.09Å; L88-M356 HydrophobicContact CD2-SD 4.07Å; L88-M356 HydrophobicContact CG-SD 4.48Å; Y92-M356 HydrophobicContact CD1-CE 4.41Å; Y92-M356 HydrophobicContact CD1-SD 4.22Å; Y92-M356 HydrophobicContact CE1-CE 3.45Å; Y92-M356 VanDerWaalsContact CE1-CE 3.45Å; Y92-M356 HydrophobicContact CE1-SD 3.73Å; I123-M356 HydrophobicContact CD1-CE 4.42Å; W319-M356 HydrophobicContact CH2-CE 4.11Å; K352-M356 HydrophobicContact CG-CE 4.48Å; K352-M356 VanDerWaalsContact O-CG 3.31Å; K352-M356 WeakPolarHBondContact O-CG 2.74Å; K352-M356 PolarHBondContact O-N 2.94Å; K352-M356 VanDerWaalsContact O-N 3.1Å; L353-M356 PolarHBondContact O-N 2.98Å; I354-M356 PolarHBondContact O-N 3.34Å; M356-S358 PolarHBondContact O-N 3.09Å; M356-I359 VanDerWaalsContact O-CG1 3.23Å; M356-I359 WeakPolarHBondContact O-CG1 3.2Å; M356-I359 WeakPolarHBondContact O-CG2 3.3Å; M356-I359 PolarHBondContact O-N 3.41Å; M356-I359 VanDerWaalsContact O-N 3.09Å
357L91.2Very high88.6Confident71 Ų7128.3 Ų28.337%0.37216%0.156SC..THydrogen-bonded Turntrans-55.3-25.6172.3-63.3179.2000112.4L49 V318 I354 S355 I359 C360 I361L49-L357 HydrophobicContact CD1-CD2 4.41Å; L49-L357 HydrophobicContact CD2-CD2 3.61Å; V318-L357 HydrophobicContact CG1-CB 4.34Å; I354-L357 WeakPolarHBondContact O-CB 3.12Å; I354-L357 VanDerWaalsContact O-CG 3.22Å; I354-L357 WeakPolarHBondContact O-CG 3.3Å; I354-L357 PolarHBondContact O-N 2.89Å; S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 2.84Å; L357-I359 PolarHBondContact O-N 3.03Å; L357-I359 VanDerWaalsContact O-N 3.15Å; L357-C360 PolarHBondContact O-N 3.26Å; L357-I361 HydrophobicContact CB-CD1 3.95Å; L357-I361 WeakPolarHBondContact O-CG1 3.47Å; L357-I361 PolarHBondContact O-N 3.45Å
358S89.3Confident87.5Confident8 Ų832.7 Ų32.76%0.05617%0.173CC..Hα-helixtrans-55.8-29.1177.4610000113.8W319 S355 M356 C360 N362W319-S358 PolarHBondContact NE1-OG 3.45Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 3.44Å; S355-S358 PolarHBondContact O-OG 3.04Å; M356-S358 PolarHBondContact O-N 3.09Å; S358-C360 PolarHBondContact O-N 2.93Å; S358-N362 WeakPolarHBondContact O-CB 3.26Å; S358-N362 PolarHBondContact O-N 2.03Å; S358-N362 PolarHBondContact O-ND2 2.93Å
359I90.9Very high86.6Confident0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-66.9-25.7178.377.4-166.1000113L49 N57 N85 L88 I93 M356 L357 P363L49-I359 HydrophobicContact CB-CD1 4.22Å; N57-I359 PolarHBondContact ND2-O 2.86Å; N85-I359 HydrophobicContact CB-CB 4.37Å; L88-I359 HydrophobicContact CD2-CG2 3.59Å; L88-I359 HydrophobicContact CG-CG2 4.41Å; I93-I359 HydrophobicContact CD1-CD1 3.51Å; M356-I359 VanDerWaalsContact O-CG1 3.23Å; M356-I359 WeakPolarHBondContact O-CG1 3.2Å; M356-I359 WeakPolarHBondContact O-CG2 3.3Å; M356-I359 PolarHBondContact O-N 3.41Å; M356-I359 VanDerWaalsContact O-N 3.09Å; L357-I359 PolarHBondContact O-N 3.03Å; L357-I359 VanDerWaalsContact O-N 3.15Å; I359-P363 WeakPolarHBondContact O-CD 3.32Å
360C89.6Confident86Confident23 Ų2336 Ų3616%0.15519%0.19CC..Hα-helixtrans-99.2-34.5-177.9-600000111.5T52 L357 S358 P363 V364T52-C360 PolarHBondContact OG1-SG 3.5Å; L357-C360 PolarHBondContact O-N 3.26Å; S358-C360 PolarHBondContact O-N 2.93Å; C360-P363 WeakPolarHBondContact O-CD 3.3Å; C360-V364 WeakPolarHBondContact O-CG2 3.45Å
361I89.6Confident85.1Confident53 Ų5339.4 Ų39.427%0.27220%0.198SC..Hα-helixtrans-65.4-42.3178.2-66.9164.6000110.6V318 L357 V364 I365V318-I361 HydrophobicContact CG2-CD1 3.89Å; L357-I361 HydrophobicContact CB-CD1 3.95Å; L357-I361 WeakPolarHBondContact O-CG1 3.47Å; L357-I361 PolarHBondContact O-N 3.45Å; I361-V364 WeakPolarHBondContact O-CB 3Å; I361-V364 PolarHBondContact O-N 3.29Å; I361-I365 HydrophobicContact CG2-CD1 3.55Å; I361-I365 HydrophobicContact CG2-CG1 4.08Å; I361-I365 WeakPolarHBondContact O-CG1 3.38Å; I361-I365 PolarHBondContact O-N 3.3Å
362N85.5Confident84.4Confident6 Ų640 Ų403%0.03220%0.204CC..Hα-helixtrans-55.8-54.4-177.8-76.4-26000112N85 S358 V364 I365 Y366N85-N362 PolarHBondContact ND2-ND2 3.26Å; S358-N362 WeakPolarHBondContact O-CB 3.26Å; S358-N362 PolarHBondContact O-N 2.03Å; S358-N362 PolarHBondContact O-ND2 2.93Å; N362-V364 VanDerWaalsContact C-N 3.33Å; N362-V364 PolarHBondContact O-N 3.17Å; N362-I365 WeakPolarHBondContact O-CB 3.41Å; N362-I365 PolarHBondContact O-N 3.1Å; N362-I365 VanDerWaalsContact O-N 3.16Å; N362-Y366 WeakPolarHBondContact O-CD2 3.26Å; N362-Y366 PolarHBondContact O-N 3.2Å
363P85.9Confident83.9Confident9 Ų938.9 Ų38.96%0.05820%0.2CC..Hα-helixtrans-57.5-38.8175.7-31.438.1000115.4S56 N57 L60 I359 C360 I365 Y366 G367S56-P363 WeakPolarHBondContact OG-CG 3.29Å; N57-P363 WeakPolarHBondContact OD1-CG 3.26Å; L60-P363 HydrophobicContact CD1-CB 3.66Å; L60-P363 HydrophobicContact CD1-CG 4.03Å; L60-P363 HydrophobicContact CG-CB 4.48Å; I359-P363 WeakPolarHBondContact O-CD 3.32Å; C360-P363 WeakPolarHBondContact O-CD 3.3Å; P363-I365 VanDerWaalsContact C-N 3.34Å; P363-Y366 PolarHBondContact O-N 3.29Å; P363-G367 WeakPolarHBondContact O-CA 3.44Å; P363-G367 PolarHBondContact O-N 3.06Å
364V84Confident83.5Confident82 Ų8238.5 Ų38.550%0.49720%0.199SC..Hα-helixtrans-60.6-47.5176171.40000109.6C360 I361 N362 Y366 F368C360-V364 WeakPolarHBondContact O-CG2 3.45Å; I361-V364 WeakPolarHBondContact O-CB 3Å; I361-V364 PolarHBondContact O-N 3.29Å; N362-V364 VanDerWaalsContact C-N 3.33Å; N362-V364 PolarHBondContact O-N 3.17Å; V364-Y366 PolarHBondContact O-N 3.04Å; V364-F368 HydrophobicContact CB-CD2 4.36Å; V364-F368 HydrophobicContact CG1-CD2 3.77Å; V364-F368 HydrophobicContact CG1-CE2 4.16Å; V364-F368 WeakPolarHBondContact O-CB 3.39Å; V364-F368 VanDerWaalsContact O-CD2 3.28Å; V364-F368 WeakPolarHBondContact O-CD2 3.27Å; V364-F368 PolarHBondContact O-N 3.16Å; V364-F368 VanDerWaalsContact O-N 3.07Å
365I84.7Confident83.2Confident15 Ų1542.4 Ų42.48%0.07721%0.214CC..Hα-helixtrans-58.2-48.9177.6-67.1173.4000110.4L307 A310 M311 I361 N362 P363 M369L307-I365 HydrophobicContact CD1-CG2 3.46Å; L307-I365 VanDerWaalsContact CD1-CG2 3.46Å; L307-I365 WeakPolarHBondContact CD1-O 3.18Å; L307-I365 HydrophobicContact CG-CG2 4.43Å; A310-I365 HydrophobicContact CB-CD1 4.22Å; A310-I365 HydrophobicContact CB-CG2 4.29Å; M311-I365 HydrophobicContact CE-CB 4.46Å; M311-I365 HydrophobicContact CE-CG2 3.43Å; M311-I365 VanDerWaalsContact CE-CG2 3.43Å; M311-I365 HydrophobicContact CG-CD1 4.36Å; M311-I365 HydrophobicContact CG-CG2 3.93Å; I361-I365 HydrophobicContact CG2-CD1 3.55Å; I361-I365 HydrophobicContact CG2-CG1 4.08Å; I361-I365 WeakPolarHBondContact O-CG1 3.38Å; I361-I365 PolarHBondContact O-N 3.3Å; N362-I365 WeakPolarHBondContact O-CB 3.41Å; N362-I365 PolarHBondContact O-N 3.1Å; N362-I365 VanDerWaalsContact O-N 3.16Å; P363-I365 VanDerWaalsContact C-N 3.34Å; I365-M369 HydrophobicContact CG2-SD 3.93Å; I365-M369 WeakPolarHBondContact O-CB 3.43Å; I365-M369 WeakPolarHBondContact O-CG 3.45Å; I365-M369 PolarHBondContact O-N 3.39Å
366Y77.7Confident82.9Confident4 Ų444.1 Ų44.12%0.01622%0.22CC..Hα-helixtrans-70.4-48.9-179.9-70.2-72.5000113.6V78 L81 M133 M311 N362 P363 V364 F368 N370V78-Y366 HydrophobicContact CG1-CD1 4.04Å; V78-Y366 HydrophobicContact CG1-CE1 4.42Å; V78-Y366 HydrophobicContact CG1-CG 4.08Å; V78-Y366 HydrophobicContact CG2-CD1 3.98Å; V78-Y366 HydrophobicContact CG2-CE1 3.86Å; L81-Y366 HydrophobicContact CD2-CD2 4.43Å; L81-Y366 HydrophobicContact CD2-CE2 3.31Å; L81-Y366 WeakPolarHBondContact CD2-OH 3.4Å; L81-Y366 HydrophobicContact CG-CE2 4.45Å; M133-Y366 HydrophobicContact CE-CE1 3.34Å; M133-Y366 WeakPolarHBondContact CE-OH 3.03Å; M133-Y366 PolarHBondContact SD-OH 3.03Å; M311-Y366 HydrophobicContact CE-CD1 3.6Å; M311-Y366 HydrophobicContact CE-CD2 4.12Å; M311-Y366 HydrophobicContact CE-CE1 3.03Å; M311-Y366 HydrophobicContact CE-CE2 3.57Å; M311-Y366 HydrophobicContact CE-CG 4.11Å; M311-Y366 VanDerWaalsContact CE-OH 3.28Å; M311-Y366 WeakPolarHBondContact CE-OH 3.04Å; M311-Y366 HydrophobicContact SD-CE1 3.96Å; M311-Y366 HydrophobicContact SD-CE2 4.27Å; M311-Y366 VanDerWaalsContact SD-CZ 3.54Å; M311-Y366 PolarHBondContact SD-OH 3.39Å; N362-Y366 WeakPolarHBondContact O-CD2 3.26Å; N362-Y366 PolarHBondContact O-N 3.2Å; P363-Y366 PolarHBondContact O-N 3.29Å; V364-Y366 PolarHBondContact O-N 3.04Å; Y366-F368 VanDerWaalsContact C-N 3.33Å; Y366-F368 PolarHBondContact O-N 3.25Å; Y366-N370 WeakPolarHBondContact O-CB 3.34Å; Y366-N370 PolarHBondContact O-N 3.19Å
367G72.2Confident82.6Confident8 Ų845.5 Ų45.58%0.08223%0.228CC..Hα-helixtrans-62-39.1-174.800000112.6P363 S374P363-G367 WeakPolarHBondContact O-CA 3.44Å; P363-G367 PolarHBondContact O-N 3.06Å; G367-S374 VanDerWaalsContact O-CB 3.24Å; G367-S374 WeakPolarHBondContact O-CB 3.15Å
368F70.3Confident82.4Confident157 Ų15748.9 Ų48.969%0.68924%0.239SC*.Hα-helixtrans-91.7-40.4-178.8-68.1-74.1000113.5V364 Y366V364-F368 HydrophobicContact CB-CD2 4.36Å; V364-F368 HydrophobicContact CG1-CD2 3.77Å; V364-F368 HydrophobicContact CG1-CE2 4.16Å; V364-F368 WeakPolarHBondContact O-CB 3.39Å; V364-F368 VanDerWaalsContact O-CD2 3.28Å; V364-F368 WeakPolarHBondContact O-CD2 3.27Å; V364-F368 PolarHBondContact O-N 3.16Å; V364-F368 VanDerWaalsContact O-N 3.07Å; Y366-F368 VanDerWaalsContact C-N 3.33Å; Y366-F368 PolarHBondContact O-N 3.25Å
369M72.3Confident82.3Confident72 Ų7251.2 Ų51.236%0.35526%0.259SS..Hα-helixtrans-88-23.5-174.2-55.2176.266.200113.2K306 L307 A310 I365 K371K306-M369 HydrophobicContact CB-CE 4.02Å; L307-M369 HydrophobicContact CB-CE 4.49Å; L307-M369 HydrophobicContact CD1-CB 3.67Å; L307-M369 HydrophobicContact CD1-SD 4.38Å; A310-M369 HydrophobicContact CB-CE 4.25Å; A310-M369 HydrophobicContact CB-SD 4.12Å; I365-M369 HydrophobicContact CG2-SD 3.93Å; I365-M369 WeakPolarHBondContact O-CB 3.43Å; I365-M369 WeakPolarHBondContact O-CG 3.45Å; I365-M369 PolarHBondContact O-N 3.39Å; M369-K371 PolarHBondContact O-N 3.15Å
370N78.4Confident82Confident27 Ų2753.7 Ų53.714%0.14427%0.272CS..  trans-87.593.2173.7-172.5-13.7000110.8Y366 N372 L373 S374Y366-N370 WeakPolarHBondContact O-CB 3.34Å; Y366-N370 PolarHBondContact O-N 3.19Å; N370-N372 PolarHBondContact O-N 3.39Å; N370-N372 VanDerWaalsContact O-N 3.09Å; N370-N372 PolarHBondContact OD1-N 2.98Å; N370-L373 HydrophobicContact CB-CB 3.97Å; N370-L373 WeakPolarHBondContact O-CB 3.41Å; N370-L373 PolarHBondContact O-N 3.45Å; N370-S374 PolarHBondContact O-N 3.49Å
371K76.5Confident81.7Confident104 Ų10457.4 Ų57.445%0.45229%0.29SS..Hα-helixtrans-53.1-35.2-177.8-70.1-159.1176.4-168.80114.6R303 M369 K375R303-K371 VanDerWaalsContact CZ-NZ 3.33Å; M369-K371 PolarHBondContact O-N 3.15Å; K371-K375 WeakPolarHBondContact O-CB 3.19Å; K371-K375 VanDerWaalsContact O-CG 3.27Å; K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 3.25Å
372N79.7Confident81.7Confident75 Ų7558.8 Ų58.840%0.40131%0.309SS..Hα-helixtrans-69.1-41.1-179.9-71.92.3000110.7R72 N370 R376R72-N372 VanDerWaalsContact CZ-ND2 3.31Å; R72-N372 PolarHBondContact NH1-ND2 3.38Å; R72-N372 PolarHBondContact NH2-ND2 3.07Å; N370-N372 PolarHBondContact O-N 3.39Å; N370-N372 VanDerWaalsContact O-N 3.09Å; N370-N372 PolarHBondContact OD1-N 2.98Å; N372-R376 WeakPolarHBondContact O-CG 3.36Å; N372-R376 PolarHBondContact O-N 3.3Å; N372-R376 VanDerWaalsContact O-N 3.16Å
373L80.5Confident81.4Confident4 Ų467.2 Ų67.22%0.02135%0.345CS..Hα-helixtrans-69.5-43.2176.6-168.258.7000111.3L60 V63 L64 V78 N370 K375 R376 L377L60-L373 HydrophobicContact CD2-CD2 3.71Å; L60-L373 HydrophobicContact CD2-CG 4.23Å; V63-L373 HydrophobicContact CG1-CD1 3.71Å; L64-L373 HydrophobicContact CD2-CD1 3.69Å; L64-L373 HydrophobicContact CG-CD1 4.18Å; V78-L373 HydrophobicContact CG1-CD2 4.23Å; N370-L373 HydrophobicContact CB-CB 3.97Å; N370-L373 WeakPolarHBondContact O-CB 3.41Å; N370-L373 PolarHBondContact O-N 3.45Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.39Å; L373-R376 WeakPolarHBondContact O-CB 3.47Å; L373-R376 PolarHBondContact O-N 2.64Å; L373-R376 VanDerWaalsContact O-N 3.14Å; L373-L377 WeakPolarHBondContact O-CB 3.37Å; L373-L377 PolarHBondContact O-N 3.23Å
374S82.6Confident80Confident22 Ų2278.6 Ų78.615%0.15439%0.394CS..Hα-helixtrans-56.7-43174.7-170.40000112.3G367 N370 L377 K378G367-S374 VanDerWaalsContact O-CB 3.24Å; G367-S374 WeakPolarHBondContact O-CB 3.15Å; N370-S374 PolarHBondContact O-N 3.49Å; S374-L377 PolarHBondContact O-N 3.28Å; S374-K378 WeakPolarHBondContact O-CG 3.37Å; S374-K378 PolarHBondContact O-N 2.9Å
375K85.4Confident79.8Confident148 Ų14878.5 Ų78.564%0.64339%0.389SS*.Hα-helixtrans-62.7-45.2175.2-77178.8179.6-167.70112.1K371 L373 L377 K378 A379K371-K375 WeakPolarHBondContact O-CB 3.19Å; K371-K375 VanDerWaalsContact O-CG 3.27Å; K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 3.25Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.39Å; K375-L377 VanDerWaalsContact C-N 3.34Å; K375-K378 PolarHBondContact O-N 3Å; K375-A379 WeakPolarHBondContact O-CB 3.29Å; K375-A379 PolarHBondContact O-N 3.21Å
376R85.2Confident79.5Confident35 Ų3581.8 Ų81.813%0.13241%0.405CS..Hα-helixtrans-62.2-43177.2-70.9169.761.6165.37.3111.4V63 L64 D67 D75 N372 L373 A379 L380V63-R376 HydrophobicContact CG1-CB 3.71Å; V63-R376 PolarHBondContact O-NH2 2.96Å; L64-R376 PolarHBondContact O-NH2 3.44Å; L64-R376 VanDerWaalsContact O-NH2 3.15Å; D67-R376 PolarHBondContact O-NH2 3.46Å; D75-R376 IonicContact OD2-NH1 3.75Å; N372-R376 WeakPolarHBondContact O-CG 3.36Å; N372-R376 PolarHBondContact O-N 3.3Å; N372-R376 VanDerWaalsContact O-N 3.16Å; L373-R376 WeakPolarHBondContact O-CB 3.47Å; L373-R376 PolarHBondContact O-N 2.64Å; L373-R376 VanDerWaalsContact O-N 3.14Å; R376-A379 PolarHBondContact O-N 2.98Å; R376-L380 WeakPolarHBondContact O-CB 3.17Å; R376-L380 PolarHBondContact O-N 3.22Å
377L83.9Confident79.6Confident33 Ų3386.1 Ų86.117%0.17343%0.427CS..Hα-helixtrans-60.4-49.9176.2173.660.1000111.4L59 V63 L373 S374 K375 A379 L380 L381L59-L377 HydrophobicContact CD1-CD1 3.77Å; L59-L377 HydrophobicContact CD2-CD1 3.67Å; L59-L377 HydrophobicContact CG-CD1 3.7Å; V63-L377 HydrophobicContact CG1-CB 4.48Å; V63-L377 HydrophobicContact CG2-CB 4.14Å; V63-L377 HydrophobicContact CG2-CD1 3.66Å; L373-L377 WeakPolarHBondContact O-CB 3.37Å; L373-L377 PolarHBondContact O-N 3.23Å; S374-L377 PolarHBondContact O-N 3.28Å; K375-L377 VanDerWaalsContact C-N 3.34Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.27Å; L377-L380 WeakPolarHBondContact O-CB 3.48Å; L377-L380 PolarHBondContact O-N 3.23Å; L377-L381 HydrophobicContact CD1-CD1 3.97Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4.1Å; L377-L381 WeakPolarHBondContact O-CG 3.36Å; L377-L381 PolarHBondContact O-N 3.18Å
378K86.3Confident80.1Confident142 Ų14290.7 Ų90.762%0.61745%0.447SS*.Hα-helixtrans-60.2-42.1177-72.7178179.9-169.30112.4S374 K375 L380 L381 A382S374-K378 WeakPolarHBondContact O-CG 3.37Å; S374-K378 PolarHBondContact O-N 2.9Å; K375-K378 PolarHBondContact O-N 3Å; K378-L380 VanDerWaalsContact C-N 3.31Å; K378-L380 PolarHBondContact O-N 3.1Å; K378-L381 PolarHBondContact O-N 2.62Å; K378-A382 WeakPolarHBondContact O-CB 3.34Å; K378-A382 PolarHBondContact O-N 2.69Å
379A86.6Confident80.7Confident56 Ų5686.6 Ų86.646%0.46343%0.432SS..Hα-helixtrans-64.6-35.5177.100000112.4K375 R376 L377 K383K375-A379 WeakPolarHBondContact O-CB 3.29Å; K375-A379 PolarHBondContact O-N 3.21Å; R376-A379 PolarHBondContact O-N 2.98Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.27Å; A379-K383 WeakPolarHBondContact O-CG 3.17Å; A379-K383 PolarHBondContact O-N 2.98Å
380L84.4Confident81.2Confident52 Ų5287.5 Ų87.527%0.27244%0.437SS..Hα-helixtrans-68.1-44.8174.4-170.574.8000111.3V62 V63 S66 R376 L377 K378 A382 K383V62-L380 HydrophobicContact CG1-CD2 3.87Å; V63-L380 HydrophobicContact CG2-CD2 3.66Å; S66-L380 WeakPolarHBondContact OG-CD1 3.22Å; R376-L380 WeakPolarHBondContact O-CB 3.17Å; R376-L380 PolarHBondContact O-N 3.22Å; L377-L380 WeakPolarHBondContact O-CB 3.48Å; L377-L380 PolarHBondContact O-N 3.23Å; K378-L380 VanDerWaalsContact C-N 3.31Å; K378-L380 PolarHBondContact O-N 3.1Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 3.02Å; L380-K383 PolarHBondContact O-N 2.99Å
381L84.8Confident81.4Confident102 Ų10291.9 Ų91.953%0.53446%0.458SS..Hα-helixtrans-66.5-32.4179.4-68.5174.1000112.7L377 K378 K383L377-L381 HydrophobicContact CD1-CD1 3.97Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4.1Å; L377-L381 WeakPolarHBondContact O-CG 3.36Å; L377-L381 PolarHBondContact O-N 3.18Å; K378-L381 PolarHBondContact O-N 2.62Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 2.98Å
382A88.4Confident81.8Confident81 Ų8190.9 Ų90.967%0.66946%0.458SS*.THydrogen-bonded Turntrans-78.4-8.8178.200000114.3K378 L380 K384K378-A382 WeakPolarHBondContact O-CB 3.34Å; K378-A382 PolarHBondContact O-N 2.69Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 3.02Å; A382-K384 VanDerWaalsContact C-N 3.26Å
383K80.5Confident82Confident184 Ų18492.3 Ų92.380%0.846%0.463SS*.THydrogen-bonded Turntrans-81.6-7173.8-79.9-177.7179.3-172.30113.1A379 L380 L381A379-K383 WeakPolarHBondContact O-CG 3.17Å; A379-K383 PolarHBondContact O-N 2.98Å; L380-K383 PolarHBondContact O-N 2.99Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 2.98Å
384K55.4Low82.1Confident248 Ų248100.3 Ų100.3100%1.07850%0.503SS*.  trans-103.90176.9-164.1-179.7-174.6-174.90108.5A382A382-K384 VanDerWaalsContact C-N 3.26Å

Retrieved 384 of 384 residues in 430.5 ms (Link to these results)

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